data_18757 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18757 _Entry.PDB_ID 2LZI 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 18757 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ILE N N 2 120.907 120.907 120.516 0.391 18757 2 1 1 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.532 -0.038 18757 3 1 1 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.233 -0.277 18757 4 1 1 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.412 -0.215 18757 5 1 1 . 1 1 2 2 ILE H H 2 7.927 7.927 7.500 0.427 18757 6 1 1 . 1 1 3 3 CYS N N 3 124.107 124.107 123.715 0.392 18757 7 1 1 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.432 -0.124 18757 8 1 1 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.670 -1.657 18757 9 1 1 . 1 1 3 3 CYS H H 3 8.899 8.899 8.576 0.323 18757 10 1 1 . 1 1 4 4 ARG N N 4 123.254 123.254 122.538 0.716 18757 11 1 1 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.658 0.005 18757 12 1 1 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.392 0.875 18757 13 1 1 . 1 1 4 4 ARG CB C 4 31.817 31.817 31.205 0.612 18757 14 1 1 . 1 1 4 4 ARG H H 4 8.714 8.714 8.865 -0.151 18757 15 1 1 . 1 1 5 5 CYS N N 5 123.464 123.464 126.435 -2.971 18757 16 1 1 . 1 1 5 5 CYS HA H 5 5.404 5.404 4.766 0.638 18757 17 1 1 . 1 1 5 5 CYS CA C 5 55.641 55.641 59.137 -3.496 18757 18 1 1 . 1 1 5 5 CYS CB C 5 46.464 46.464 25.747 20.717 18757 19 1 1 . 1 1 5 5 CYS H H 5 9.020 9.020 9.022 -0.002 18757 20 1 1 . 1 1 6 6 ILE N N 6 124.141 124.141 127.760 -3.619 18757 21 1 1 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.303 0.061 18757 22 1 1 . 1 1 6 6 ILE CA C 6 60.712 60.712 61.002 -0.290 18757 23 1 1 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.347 0.244 18757 24 1 1 . 1 1 6 6 ILE H H 6 8.780 8.780 8.932 -0.152 18757 25 1 1 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.464 -0.133 18757 26 1 1 . 1 1 7 7 CYS CA C 7 55.862 55.862 57.915 -2.053 18757 27 1 1 . 1 1 7 7 CYS H H 7 9.135 9.135 8.902 0.233 18757 28 1 1 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.547 -0.405 18757 29 1 1 . 1 1 8 8 GLY H H 8 8.588 8.588 8.817 -0.229 18757 30 1 1 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.486 -0.356 18757 31 1 1 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.270 0.106 18757 32 1 1 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.032 -0.411 18757 33 1 1 . 1 1 9 9 ARG H H 9 8.873 8.873 8.346 0.527 18757 34 1 1 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.474 -0.135 18757 35 1 1 . 1 1 10 10 ARG CA C 10 56.589 56.589 55.393 1.196 18757 36 1 1 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.831 -0.413 18757 37 1 1 . 1 1 10 10 ARG H H 10 8.382 8.382 8.047 0.335 18757 38 1 1 . 1 1 11 11 ILE N N 11 119.146 119.146 122.833 -3.687 18757 39 1 1 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.265 0.218 18757 40 1 1 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.586 -0.445 18757 41 1 1 . 1 1 11 11 ILE CB C 11 40.197 40.197 38.153 2.045 18757 42 1 1 . 1 1 11 11 ILE H H 11 8.002 8.002 7.737 0.265 18757 43 1 1 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.575 -0.273 18757 44 1 1 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.655 -1.642 18757 45 1 1 . 1 1 12 12 CYS H H 12 8.821 8.821 8.600 0.221 18757 46 1 1 . 1 1 13 13 ARG N N 13 122.886 122.886 120.919 1.967 18757 47 1 1 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.666 -0.002 18757 48 1 1 . 1 1 13 13 ARG CA C 13 55.267 55.267 54.585 0.682 18757 49 1 1 . 1 1 13 13 ARG CB C 13 31.817 31.817 32.229 -0.412 18757 50 1 1 . 1 1 13 13 ARG H H 13 8.680 8.680 9.004 -0.324 18757 51 1 1 . 1 1 14 14 CYS N N 14 123.464 123.464 124.349 -0.885 18757 52 1 1 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.076 0.328 18757 53 1 1 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.410 -2.769 18757 54 1 1 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.176 20.288 18757 55 1 1 . 1 1 14 14 CYS H H 14 9.020 9.020 8.965 0.055 18757 56 1 1 . 1 1 15 15 ILE N N 15 124.141 124.141 122.547 1.594 18757 57 1 1 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.560 -0.198 18757 58 1 1 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.543 0.169 18757 59 1 1 . 1 1 15 15 ILE CB C 15 39.591 39.591 38.730 0.861 18757 60 1 1 . 1 1 15 15 ILE H H 15 8.780 8.780 8.587 0.193 18757 61 1 1 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.374 0.173 18757 62 1 1 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.291 -3.193 18757 63 1 1 . 1 1 16 16 CYS H H 16 8.973 8.973 9.016 -0.043 18757 64 1 1 . 1 1 17 17 GLY N N 17 111.815 111.815 113.052 -1.237 18757 65 1 1 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.301 0.760 18757 66 1 1 . 1 1 17 17 GLY H H 17 8.760 8.760 8.666 0.094 18757 67 1 2 . 1 1 2 2 ILE N N 2 120.907 120.907 120.584 0.323 18757 68 1 2 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.543 -0.049 18757 69 1 2 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.349 -0.392 18757 70 1 2 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.389 -0.192 18757 71 1 2 . 1 1 2 2 ILE H H 2 7.927 7.927 7.519 0.408 18757 72 1 2 . 1 1 3 3 CYS N N 3 124.107 124.107 124.350 -0.243 18757 73 1 2 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.403 -0.095 18757 74 1 2 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.662 -1.649 18757 75 1 2 . 1 1 3 3 CYS H H 3 8.899 8.899 8.678 0.221 18757 76 1 2 . 1 1 4 4 ARG N N 4 123.254 123.254 122.464 0.790 18757 77 1 2 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.725 -0.062 18757 78 1 2 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.388 -0.121 18757 79 1 2 . 1 1 4 4 ARG CB C 4 31.817 31.817 33.722 -1.905 18757 80 1 2 . 1 1 4 4 ARG H H 4 8.714 8.714 8.828 -0.114 18757 81 1 2 . 1 1 5 5 CYS N N 5 123.464 123.464 126.338 -2.874 18757 82 1 2 . 1 1 5 5 CYS HA H 5 5.404 5.404 4.921 0.483 18757 83 1 2 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.498 -2.857 18757 84 1 2 . 1 1 5 5 CYS CB C 5 46.464 46.464 25.987 20.477 18757 85 1 2 . 1 1 5 5 CYS H H 5 9.020 9.020 8.961 0.059 18757 86 1 2 . 1 1 6 6 ILE N N 6 124.141 124.141 127.138 -2.997 18757 87 1 2 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.341 0.022 18757 88 1 2 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.986 -0.274 18757 89 1 2 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.930 -0.339 18757 90 1 2 . 1 1 6 6 ILE H H 6 8.780 8.780 8.815 -0.035 18757 91 1 2 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.554 -0.223 18757 92 1 2 . 1 1 7 7 CYS CA C 7 55.862 55.862 57.856 -1.994 18757 93 1 2 . 1 1 7 7 CYS H H 7 9.135 9.135 8.772 0.363 18757 94 1 2 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.758 -0.616 18757 95 1 2 . 1 1 8 8 GLY H H 8 8.588 8.588 8.874 -0.286 18757 96 1 2 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.573 -0.443 18757 97 1 2 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.596 -0.220 18757 98 1 2 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.830 -1.209 18757 99 1 2 . 1 1 9 9 ARG H H 9 8.873 8.873 8.257 0.616 18757 100 1 2 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.459 -0.120 18757 101 1 2 . 1 1 10 10 ARG CA C 10 56.589 56.589 55.709 0.880 18757 102 1 2 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.840 -0.422 18757 103 1 2 . 1 1 10 10 ARG H H 10 8.382 8.382 7.974 0.408 18757 104 1 2 . 1 1 11 11 ILE N N 11 119.146 119.146 121.788 -2.642 18757 105 1 2 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.321 0.162 18757 106 1 2 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.666 -0.525 18757 107 1 2 . 1 1 11 11 ILE CB C 11 40.197 40.197 39.325 0.872 18757 108 1 2 . 1 1 11 11 ILE H H 11 8.002 8.002 7.683 0.319 18757 109 1 2 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.643 -0.341 18757 110 1 2 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.562 -1.549 18757 111 1 2 . 1 1 12 12 CYS H H 12 8.821 8.821 8.594 0.227 18757 112 1 2 . 1 1 13 13 ARG N N 13 122.886 122.886 121.682 1.204 18757 113 1 2 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.640 0.024 18757 114 1 2 . 1 1 13 13 ARG CA C 13 55.267 55.267 56.342 -1.075 18757 115 1 2 . 1 1 13 13 ARG CB C 13 31.817 31.817 32.728 -0.911 18757 116 1 2 . 1 1 13 13 ARG H H 13 8.680 8.680 9.049 -0.369 18757 117 1 2 . 1 1 14 14 CYS N N 14 123.464 123.464 126.230 -2.766 18757 118 1 2 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.032 0.372 18757 119 1 2 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.176 -2.535 18757 120 1 2 . 1 1 14 14 CYS CB C 14 46.464 46.464 25.787 20.677 18757 121 1 2 . 1 1 14 14 CYS H H 14 9.020 9.020 8.782 0.238 18757 122 1 2 . 1 1 15 15 ILE N N 15 124.141 124.141 126.049 -1.908 18757 123 1 2 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.479 -0.117 18757 124 1 2 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.531 0.181 18757 125 1 2 . 1 1 15 15 ILE CB C 15 39.591 39.591 40.576 -0.985 18757 126 1 2 . 1 1 15 15 ILE H H 15 8.780 8.780 9.054 -0.274 18757 127 1 2 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.159 0.388 18757 128 1 2 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.325 -3.227 18757 129 1 2 . 1 1 16 16 CYS H H 16 8.973 8.973 9.059 -0.086 18757 130 1 2 . 1 1 17 17 GLY N N 17 111.815 111.815 113.539 -1.724 18757 131 1 2 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.677 0.384 18757 132 1 2 . 1 1 17 17 GLY H H 17 8.760 8.760 8.986 -0.226 18757 133 1 3 . 1 1 2 2 ILE N N 2 120.907 120.907 121.621 -0.714 18757 134 1 3 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.420 0.074 18757 135 1 3 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.398 -0.441 18757 136 1 3 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.708 -0.511 18757 137 1 3 . 1 1 2 2 ILE H H 2 7.927 7.927 7.583 0.344 18757 138 1 3 . 1 1 3 3 CYS N N 3 124.107 124.107 123.021 1.086 18757 139 1 3 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.382 -0.074 18757 140 1 3 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.733 -1.720 18757 141 1 3 . 1 1 3 3 CYS H H 3 8.899 8.899 8.701 0.198 18757 142 1 3 . 1 1 4 4 ARG N N 4 123.254 123.254 122.763 0.491 18757 143 1 3 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.683 -0.020 18757 144 1 3 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.098 1.169 18757 145 1 3 . 1 1 4 4 ARG CB C 4 31.817 31.817 31.194 0.623 18757 146 1 3 . 1 1 4 4 ARG H H 4 8.714 8.714 9.143 -0.429 18757 147 1 3 . 1 1 5 5 CYS N N 5 123.464 123.464 126.819 -3.355 18757 148 1 3 . 1 1 5 5 CYS HA H 5 5.404 5.404 4.816 0.588 18757 149 1 3 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.837 -3.196 18757 150 1 3 . 1 1 5 5 CYS CB C 5 46.464 46.464 25.935 20.529 18757 151 1 3 . 1 1 5 5 CYS H H 5 9.020 9.020 8.987 0.033 18757 152 1 3 . 1 1 6 6 ILE N N 6 124.141 124.141 127.378 -3.237 18757 153 1 3 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.315 0.049 18757 154 1 3 . 1 1 6 6 ILE CA C 6 60.712 60.712 59.912 0.800 18757 155 1 3 . 1 1 6 6 ILE CB C 6 39.591 39.591 38.703 0.888 18757 156 1 3 . 1 1 6 6 ILE H H 6 8.780 8.780 8.934 -0.154 18757 157 1 3 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.217 0.114 18757 158 1 3 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.008 -2.146 18757 159 1 3 . 1 1 7 7 CYS H H 7 9.135 9.135 8.822 0.313 18757 160 1 3 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.215 -0.073 18757 161 1 3 . 1 1 8 8 GLY H H 8 8.588 8.588 8.711 -0.123 18757 162 1 3 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.357 -0.227 18757 163 1 3 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.819 -0.443 18757 164 1 3 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.503 -0.882 18757 165 1 3 . 1 1 9 9 ARG H H 9 8.873 8.873 8.193 0.680 18757 166 1 3 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.391 -0.052 18757 167 1 3 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.078 0.511 18757 168 1 3 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.652 -0.234 18757 169 1 3 . 1 1 10 10 ARG H H 10 8.382 8.382 7.915 0.467 18757 170 1 3 . 1 1 11 11 ILE N N 11 119.146 119.146 122.720 -3.574 18757 171 1 3 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.132 0.351 18757 172 1 3 . 1 1 11 11 ILE CA C 11 60.141 60.141 61.578 -1.437 18757 173 1 3 . 1 1 11 11 ILE CB C 11 40.197 40.197 38.591 1.606 18757 174 1 3 . 1 1 11 11 ILE H H 11 8.002 8.002 7.799 0.203 18757 175 1 3 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.415 -0.113 18757 176 1 3 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.609 -1.596 18757 177 1 3 . 1 1 12 12 CYS H H 12 8.821 8.821 8.384 0.437 18757 178 1 3 . 1 1 13 13 ARG N N 13 122.886 122.886 122.285 0.601 18757 179 1 3 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.708 -0.044 18757 180 1 3 . 1 1 13 13 ARG CA C 13 55.267 55.267 54.328 0.939 18757 181 1 3 . 1 1 13 13 ARG CB C 13 31.817 31.817 31.542 0.275 18757 182 1 3 . 1 1 13 13 ARG H H 13 8.680 8.680 9.285 -0.605 18757 183 1 3 . 1 1 14 14 CYS N N 14 123.464 123.464 126.842 -3.378 18757 184 1 3 . 1 1 14 14 CYS HA H 14 5.404 5.404 4.991 0.413 18757 185 1 3 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.944 -3.303 18757 186 1 3 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.050 20.414 18757 187 1 3 . 1 1 14 14 CYS H H 14 9.020 9.020 9.025 -0.005 18757 188 1 3 . 1 1 15 15 ILE N N 15 124.141 124.141 126.771 -2.630 18757 189 1 3 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.359 0.003 18757 190 1 3 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.292 0.420 18757 191 1 3 . 1 1 15 15 ILE CB C 15 39.591 39.591 40.480 -0.889 18757 192 1 3 . 1 1 15 15 ILE H H 15 8.780 8.780 8.778 0.002 18757 193 1 3 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.165 0.382 18757 194 1 3 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.022 -2.924 18757 195 1 3 . 1 1 16 16 CYS H H 16 8.973 8.973 9.005 -0.032 18757 196 1 3 . 1 1 17 17 GLY N N 17 111.815 111.815 113.088 -1.273 18757 197 1 3 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.643 0.418 18757 198 1 3 . 1 1 17 17 GLY H H 17 8.760 8.760 8.925 -0.165 18757 199 1 4 . 1 1 2 2 ILE N N 2 120.907 120.907 121.326 -0.419 18757 200 1 4 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.420 0.074 18757 201 1 4 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.319 -0.363 18757 202 1 4 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.880 -0.683 18757 203 1 4 . 1 1 2 2 ILE H H 2 7.927 7.927 7.562 0.365 18757 204 1 4 . 1 1 3 3 CYS N N 3 124.107 124.107 122.859 1.248 18757 205 1 4 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.234 0.074 18757 206 1 4 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.670 -1.657 18757 207 1 4 . 1 1 3 3 CYS H H 3 8.899 8.899 8.700 0.199 18757 208 1 4 . 1 1 4 4 ARG N N 4 123.254 123.254 123.554 -0.300 18757 209 1 4 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.528 0.135 18757 210 1 4 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.540 0.727 18757 211 1 4 . 1 1 4 4 ARG CB C 4 31.817 31.817 29.795 2.022 18757 212 1 4 . 1 1 4 4 ARG H H 4 8.714 8.714 9.077 -0.363 18757 213 1 4 . 1 1 5 5 CYS N N 5 123.464 123.464 126.458 -2.994 18757 214 1 4 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.375 0.029 18757 215 1 4 . 1 1 5 5 CYS CA C 5 55.641 55.641 57.442 -1.801 18757 216 1 4 . 1 1 5 5 CYS CB C 5 46.464 46.464 27.202 19.262 18757 217 1 4 . 1 1 5 5 CYS H H 5 9.020 9.020 8.558 0.462 18757 218 1 4 . 1 1 6 6 ILE N N 6 124.141 124.141 121.400 2.741 18757 219 1 4 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.712 -0.348 18757 220 1 4 . 1 1 6 6 ILE CA C 6 60.712 60.712 59.750 0.962 18757 221 1 4 . 1 1 6 6 ILE CB C 6 39.591 39.591 40.859 -1.268 18757 222 1 4 . 1 1 6 6 ILE H H 6 8.780 8.780 8.975 -0.195 18757 223 1 4 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.145 0.186 18757 224 1 4 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.288 -2.426 18757 225 1 4 . 1 1 7 7 CYS H H 7 9.135 9.135 8.713 0.422 18757 226 1 4 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.435 -0.293 18757 227 1 4 . 1 1 8 8 GLY H H 8 8.588 8.588 9.088 -0.500 18757 228 1 4 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.439 -0.309 18757 229 1 4 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.631 -0.255 18757 230 1 4 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.910 -1.289 18757 231 1 4 . 1 1 9 9 ARG H H 9 8.873 8.873 8.441 0.432 18757 232 1 4 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.384 -0.045 18757 233 1 4 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.227 0.361 18757 234 1 4 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.301 0.117 18757 235 1 4 . 1 1 10 10 ARG H H 10 8.382 8.382 7.765 0.617 18757 236 1 4 . 1 1 11 11 ILE N N 11 119.146 119.146 122.477 -3.331 18757 237 1 4 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.280 0.203 18757 238 1 4 . 1 1 11 11 ILE CA C 11 60.141 60.141 61.166 -1.025 18757 239 1 4 . 1 1 11 11 ILE CB C 11 40.197 40.197 39.321 0.876 18757 240 1 4 . 1 1 11 11 ILE H H 11 8.002 8.002 7.953 0.049 18757 241 1 4 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.223 0.079 18757 242 1 4 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.584 -1.571 18757 243 1 4 . 1 1 12 12 CYS H H 12 8.821 8.821 8.385 0.436 18757 244 1 4 . 1 1 13 13 ARG N N 13 122.886 122.886 122.033 0.853 18757 245 1 4 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.735 -0.071 18757 246 1 4 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.158 0.109 18757 247 1 4 . 1 1 13 13 ARG CB C 13 31.817 31.817 32.588 -0.771 18757 248 1 4 . 1 1 13 13 ARG H H 13 8.680 8.680 9.172 -0.492 18757 249 1 4 . 1 1 14 14 CYS N N 14 123.464 123.464 127.007 -3.543 18757 250 1 4 . 1 1 14 14 CYS HA H 14 5.404 5.404 4.995 0.409 18757 251 1 4 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.134 -2.493 18757 252 1 4 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.675 19.789 18757 253 1 4 . 1 1 14 14 CYS H H 14 9.020 9.020 9.030 -0.010 18757 254 1 4 . 1 1 15 15 ILE N N 15 124.141 124.141 126.668 -2.527 18757 255 1 4 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.260 0.102 18757 256 1 4 . 1 1 15 15 ILE CA C 15 60.712 60.712 59.528 1.184 18757 257 1 4 . 1 1 15 15 ILE CB C 15 39.591 39.591 37.914 1.677 18757 258 1 4 . 1 1 15 15 ILE H H 15 8.780 8.780 8.844 -0.064 18757 259 1 4 . 1 1 16 16 CYS HA H 16 5.547 5.547 4.844 0.703 18757 260 1 4 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.913 -3.815 18757 261 1 4 . 1 1 16 16 CYS H H 16 8.973 8.973 9.023 -0.050 18757 262 1 4 . 1 1 17 17 GLY N N 17 111.815 111.815 113.316 -1.501 18757 263 1 4 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.372 0.689 18757 264 1 4 . 1 1 17 17 GLY H H 17 8.760 8.760 9.154 -0.394 18757 265 1 5 . 1 1 2 2 ILE N N 2 120.907 120.907 122.015 -1.108 18757 266 1 5 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.498 -0.004 18757 267 1 5 . 1 1 2 2 ILE CA C 2 59.956 59.956 59.626 0.331 18757 268 1 5 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.055 0.142 18757 269 1 5 . 1 1 2 2 ILE H H 2 7.927 7.927 7.609 0.318 18757 270 1 5 . 1 1 3 3 CYS N N 3 124.107 124.107 123.474 0.633 18757 271 1 5 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.391 -0.083 18757 272 1 5 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.666 -1.653 18757 273 1 5 . 1 1 3 3 CYS H H 3 8.899 8.899 8.789 0.110 18757 274 1 5 . 1 1 4 4 ARG N N 4 123.254 123.254 122.063 1.191 18757 275 1 5 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.653 0.010 18757 276 1 5 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.816 0.451 18757 277 1 5 . 1 1 4 4 ARG CB C 4 31.817 31.817 31.527 0.290 18757 278 1 5 . 1 1 4 4 ARG H H 4 8.714 8.714 9.031 -0.317 18757 279 1 5 . 1 1 5 5 CYS N N 5 123.464 123.464 124.573 -1.109 18757 280 1 5 . 1 1 5 5 CYS HA H 5 5.404 5.404 4.938 0.466 18757 281 1 5 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.637 -2.996 18757 282 1 5 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.137 20.326 18757 283 1 5 . 1 1 5 5 CYS H H 5 9.020 9.020 9.055 -0.035 18757 284 1 5 . 1 1 6 6 ILE N N 6 124.141 124.141 123.096 1.045 18757 285 1 5 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.681 -0.317 18757 286 1 5 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.310 0.402 18757 287 1 5 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.474 0.117 18757 288 1 5 . 1 1 6 6 ILE H H 6 8.780 8.780 8.601 0.179 18757 289 1 5 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.459 -0.128 18757 290 1 5 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.030 -2.168 18757 291 1 5 . 1 1 7 7 CYS H H 7 9.135 9.135 8.883 0.252 18757 292 1 5 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.434 -0.292 18757 293 1 5 . 1 1 8 8 GLY H H 8 8.588 8.588 8.681 -0.093 18757 294 1 5 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.382 -0.252 18757 295 1 5 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.575 -0.199 18757 296 1 5 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.468 -0.847 18757 297 1 5 . 1 1 9 9 ARG H H 9 8.873 8.873 8.145 0.728 18757 298 1 5 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.496 -0.157 18757 299 1 5 . 1 1 10 10 ARG CA C 10 56.589 56.589 55.801 0.788 18757 300 1 5 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.712 -0.294 18757 301 1 5 . 1 1 10 10 ARG H H 10 8.382 8.382 8.135 0.247 18757 302 1 5 . 1 1 11 11 ILE N N 11 119.146 119.146 120.666 -1.520 18757 303 1 5 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.415 0.068 18757 304 1 5 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.316 -0.175 18757 305 1 5 . 1 1 11 11 ILE CB C 11 40.197 40.197 40.611 -0.414 18757 306 1 5 . 1 1 11 11 ILE H H 11 8.002 8.002 7.675 0.327 18757 307 1 5 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.481 -0.179 18757 308 1 5 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.661 -1.648 18757 309 1 5 . 1 1 12 12 CYS H H 12 8.821 8.821 8.643 0.178 18757 310 1 5 . 1 1 13 13 ARG N N 13 122.886 122.886 121.995 0.891 18757 311 1 5 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.678 -0.014 18757 312 1 5 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.056 0.211 18757 313 1 5 . 1 1 13 13 ARG CB C 13 31.817 31.817 31.910 -0.093 18757 314 1 5 . 1 1 13 13 ARG H H 13 8.680 8.680 9.019 -0.339 18757 315 1 5 . 1 1 14 14 CYS N N 14 123.464 123.464 126.396 -2.932 18757 316 1 5 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.134 0.270 18757 317 1 5 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.916 -3.275 18757 318 1 5 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.204 20.260 18757 319 1 5 . 1 1 14 14 CYS H H 14 9.020 9.020 8.918 0.102 18757 320 1 5 . 1 1 15 15 ILE N N 15 124.141 124.141 126.673 -2.532 18757 321 1 5 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.451 -0.089 18757 322 1 5 . 1 1 15 15 ILE CA C 15 60.712 60.712 59.682 1.030 18757 323 1 5 . 1 1 15 15 ILE CB C 15 39.591 39.591 41.182 -1.591 18757 324 1 5 . 1 1 15 15 ILE H H 15 8.780 8.780 8.847 -0.067 18757 325 1 5 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.072 0.475 18757 326 1 5 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.351 -3.253 18757 327 1 5 . 1 1 16 16 CYS H H 16 8.973 8.973 9.021 -0.048 18757 328 1 5 . 1 1 17 17 GLY N N 17 111.815 111.815 113.604 -1.789 18757 329 1 5 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.681 0.380 18757 330 1 5 . 1 1 17 17 GLY H H 17 8.760 8.760 9.143 -0.383 18757 331 1 6 . 1 1 2 2 ILE N N 2 120.907 120.907 120.953 -0.046 18757 332 1 6 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.630 -0.136 18757 333 1 6 . 1 1 2 2 ILE CA C 2 59.956 59.956 59.590 0.366 18757 334 1 6 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.893 -0.696 18757 335 1 6 . 1 1 2 2 ILE H H 2 7.927 7.927 7.294 0.633 18757 336 1 6 . 1 1 3 3 CYS N N 3 124.107 124.107 123.809 0.298 18757 337 1 6 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.022 0.286 18757 338 1 6 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.585 -1.572 18757 339 1 6 . 1 1 3 3 CYS H H 3 8.899 8.899 8.403 0.496 18757 340 1 6 . 1 1 4 4 ARG N N 4 123.254 123.254 122.471 0.783 18757 341 1 6 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.659 0.004 18757 342 1 6 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.819 0.448 18757 343 1 6 . 1 1 4 4 ARG CB C 4 31.817 31.817 31.776 0.042 18757 344 1 6 . 1 1 4 4 ARG H H 4 8.714 8.714 8.877 -0.163 18757 345 1 6 . 1 1 5 5 CYS N N 5 123.464 123.464 124.595 -1.131 18757 346 1 6 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.079 0.325 18757 347 1 6 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.729 -3.088 18757 348 1 6 . 1 1 5 5 CYS CB C 5 46.464 46.464 25.780 20.684 18757 349 1 6 . 1 1 5 5 CYS H H 5 9.020 9.020 9.016 0.004 18757 350 1 6 . 1 1 6 6 ILE N N 6 124.141 124.141 122.694 1.447 18757 351 1 6 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.685 -0.321 18757 352 1 6 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.282 0.430 18757 353 1 6 . 1 1 6 6 ILE CB C 6 39.591 39.591 40.291 -0.700 18757 354 1 6 . 1 1 6 6 ILE H H 6 8.780 8.780 8.800 -0.020 18757 355 1 6 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.251 0.080 18757 356 1 6 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.235 -2.373 18757 357 1 6 . 1 1 7 7 CYS H H 7 9.135 9.135 8.678 0.457 18757 358 1 6 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.978 -0.837 18757 359 1 6 . 1 1 8 8 GLY H H 8 8.588 8.588 8.994 -0.406 18757 360 1 6 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.425 -0.295 18757 361 1 6 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.871 -0.495 18757 362 1 6 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.564 -0.943 18757 363 1 6 . 1 1 9 9 ARG H H 9 8.873 8.873 8.478 0.395 18757 364 1 6 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.404 -0.065 18757 365 1 6 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.036 0.553 18757 366 1 6 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.641 -0.223 18757 367 1 6 . 1 1 10 10 ARG H H 10 8.382 8.382 7.931 0.451 18757 368 1 6 . 1 1 11 11 ILE N N 11 119.146 119.146 121.929 -2.783 18757 369 1 6 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.391 0.092 18757 370 1 6 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.346 -0.205 18757 371 1 6 . 1 1 11 11 ILE CB C 11 40.197 40.197 40.358 -0.161 18757 372 1 6 . 1 1 11 11 ILE H H 11 8.002 8.002 7.621 0.381 18757 373 1 6 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.438 -0.136 18757 374 1 6 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.651 -1.637 18757 375 1 6 . 1 1 12 12 CYS H H 12 8.821 8.821 8.711 0.110 18757 376 1 6 . 1 1 13 13 ARG N N 13 122.886 122.886 120.882 2.004 18757 377 1 6 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.697 -0.033 18757 378 1 6 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.122 0.145 18757 379 1 6 . 1 1 13 13 ARG CB C 13 31.817 31.817 33.461 -1.644 18757 380 1 6 . 1 1 13 13 ARG H H 13 8.680 8.680 9.205 -0.525 18757 381 1 6 . 1 1 14 14 CYS N N 14 123.464 123.464 124.259 -0.795 18757 382 1 6 . 1 1 14 14 CYS HA H 14 5.404 5.404 4.940 0.464 18757 383 1 6 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.854 -3.213 18757 384 1 6 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.156 20.308 18757 385 1 6 . 1 1 14 14 CYS H H 14 9.020 9.020 8.988 0.032 18757 386 1 6 . 1 1 15 15 ILE N N 15 124.141 124.141 126.112 -1.971 18757 387 1 6 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.449 -0.087 18757 388 1 6 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.457 0.255 18757 389 1 6 . 1 1 15 15 ILE CB C 15 39.591 39.591 40.436 -0.845 18757 390 1 6 . 1 1 15 15 ILE H H 15 8.780 8.780 9.039 -0.259 18757 391 1 6 . 1 1 16 16 CYS HA H 16 5.547 5.547 4.839 0.708 18757 392 1 6 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.725 -3.627 18757 393 1 6 . 1 1 16 16 CYS H H 16 8.973 8.973 9.088 -0.115 18757 394 1 6 . 1 1 17 17 GLY N N 17 111.815 111.815 113.393 -1.578 18757 395 1 6 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.381 0.680 18757 396 1 6 . 1 1 17 17 GLY H H 17 8.760 8.760 8.924 -0.164 18757 397 1 7 . 1 1 2 2 ILE N N 2 120.907 120.907 120.973 -0.066 18757 398 1 7 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.666 -0.172 18757 399 1 7 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.303 -0.347 18757 400 1 7 . 1 1 2 2 ILE CB C 2 40.197 40.197 41.332 -1.135 18757 401 1 7 . 1 1 2 2 ILE H H 2 7.927 7.927 7.565 0.362 18757 402 1 7 . 1 1 3 3 CYS N N 3 124.107 124.107 124.510 -0.403 18757 403 1 7 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.269 0.039 18757 404 1 7 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.561 -1.548 18757 405 1 7 . 1 1 3 3 CYS H H 3 8.899 8.899 8.397 0.502 18757 406 1 7 . 1 1 4 4 ARG N N 4 123.254 123.254 122.561 0.693 18757 407 1 7 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.722 -0.059 18757 408 1 7 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.189 0.078 18757 409 1 7 . 1 1 4 4 ARG CB C 4 31.817 31.817 31.773 0.044 18757 410 1 7 . 1 1 4 4 ARG H H 4 8.714 8.714 9.174 -0.460 18757 411 1 7 . 1 1 5 5 CYS N N 5 123.464 123.464 126.105 -2.641 18757 412 1 7 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.260 0.144 18757 413 1 7 . 1 1 5 5 CYS CA C 5 55.641 55.641 57.987 -2.346 18757 414 1 7 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.855 19.609 18757 415 1 7 . 1 1 5 5 CYS H H 5 9.020 9.020 8.932 0.088 18757 416 1 7 . 1 1 6 6 ILE N N 6 124.141 124.141 122.852 1.289 18757 417 1 7 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.680 -0.316 18757 418 1 7 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.563 0.149 18757 419 1 7 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.997 -0.406 18757 420 1 7 . 1 1 6 6 ILE H H 6 8.780 8.780 8.684 0.096 18757 421 1 7 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.264 0.067 18757 422 1 7 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.178 -2.316 18757 423 1 7 . 1 1 7 7 CYS H H 7 9.135 9.135 8.625 0.510 18757 424 1 7 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.237 -0.095 18757 425 1 7 . 1 1 8 8 GLY H H 8 8.588 8.588 8.866 -0.278 18757 426 1 7 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.300 -0.170 18757 427 1 7 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.641 -0.265 18757 428 1 7 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.677 -1.056 18757 429 1 7 . 1 1 9 9 ARG H H 9 8.873 8.873 8.154 0.719 18757 430 1 7 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.394 -0.055 18757 431 1 7 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.417 0.172 18757 432 1 7 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.039 0.379 18757 433 1 7 . 1 1 10 10 ARG H H 10 8.382 8.382 7.842 0.540 18757 434 1 7 . 1 1 11 11 ILE N N 11 119.146 119.146 123.519 -4.373 18757 435 1 7 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.245 0.238 18757 436 1 7 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.749 -0.609 18757 437 1 7 . 1 1 11 11 ILE CB C 11 40.197 40.197 38.395 1.802 18757 438 1 7 . 1 1 11 11 ILE H H 11 8.002 8.002 8.019 -0.017 18757 439 1 7 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.346 -0.044 18757 440 1 7 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.492 -1.480 18757 441 1 7 . 1 1 12 12 CYS H H 12 8.821 8.821 8.371 0.450 18757 442 1 7 . 1 1 13 13 ARG N N 13 122.886 122.886 122.049 0.837 18757 443 1 7 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.737 -0.073 18757 444 1 7 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.407 -0.141 18757 445 1 7 . 1 1 13 13 ARG CB C 13 31.817 31.817 32.528 -0.711 18757 446 1 7 . 1 1 13 13 ARG H H 13 8.680 8.680 9.192 -0.512 18757 447 1 7 . 1 1 14 14 CYS N N 14 123.464 123.464 125.598 -2.134 18757 448 1 7 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.274 0.130 18757 449 1 7 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.451 -2.810 18757 450 1 7 . 1 1 14 14 CYS CB C 14 46.464 46.464 27.190 19.274 18757 451 1 7 . 1 1 14 14 CYS H H 14 9.020 9.020 8.937 0.083 18757 452 1 7 . 1 1 15 15 ILE N N 15 124.141 124.141 126.215 -2.074 18757 453 1 7 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.599 -0.237 18757 454 1 7 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.396 0.316 18757 455 1 7 . 1 1 15 15 ILE CB C 15 39.591 39.591 41.363 -1.772 18757 456 1 7 . 1 1 15 15 ILE H H 15 8.780 8.780 8.918 -0.138 18757 457 1 7 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.278 0.269 18757 458 1 7 . 1 1 16 16 CYS CA C 16 55.098 55.098 57.828 -2.730 18757 459 1 7 . 1 1 16 16 CYS H H 16 8.973 8.973 8.846 0.127 18757 460 1 7 . 1 1 17 17 GLY N N 17 111.815 111.815 110.821 0.994 18757 461 1 7 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.693 0.368 18757 462 1 7 . 1 1 17 17 GLY H H 17 8.760 8.760 8.601 0.159 18757 463 1 8 . 1 1 2 2 ILE N N 2 120.907 120.907 122.893 -1.986 18757 464 1 8 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.286 0.208 18757 465 1 8 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.830 -0.874 18757 466 1 8 . 1 1 2 2 ILE CB C 2 40.197 40.197 39.016 1.181 18757 467 1 8 . 1 1 2 2 ILE H H 2 7.927 7.927 7.567 0.360 18757 468 1 8 . 1 1 3 3 CYS N N 3 124.107 124.107 124.977 -0.870 18757 469 1 8 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.578 -0.270 18757 470 1 8 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.544 -1.531 18757 471 1 8 . 1 1 3 3 CYS H H 3 8.899 8.899 8.641 0.258 18757 472 1 8 . 1 1 4 4 ARG N N 4 123.254 123.254 122.669 0.585 18757 473 1 8 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.748 -0.085 18757 474 1 8 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.372 -0.105 18757 475 1 8 . 1 1 4 4 ARG CB C 4 31.817 31.817 33.633 -1.816 18757 476 1 8 . 1 1 4 4 ARG H H 4 8.714 8.714 9.217 -0.503 18757 477 1 8 . 1 1 5 5 CYS N N 5 123.464 123.464 125.682 -2.218 18757 478 1 8 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.259 0.145 18757 479 1 8 . 1 1 5 5 CYS CA C 5 55.641 55.641 57.602 -1.961 18757 480 1 8 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.715 19.750 18757 481 1 8 . 1 1 5 5 CYS H H 5 9.020 9.020 8.843 0.177 18757 482 1 8 . 1 1 6 6 ILE N N 6 124.141 124.141 121.883 2.258 18757 483 1 8 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.784 -0.420 18757 484 1 8 . 1 1 6 6 ILE CA C 6 60.712 60.712 59.776 0.937 18757 485 1 8 . 1 1 6 6 ILE CB C 6 39.591 39.591 40.598 -1.007 18757 486 1 8 . 1 1 6 6 ILE H H 6 8.780 8.780 8.997 -0.217 18757 487 1 8 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.394 -0.063 18757 488 1 8 . 1 1 7 7 CYS CA C 7 55.862 55.862 57.983 -2.121 18757 489 1 8 . 1 1 7 7 CYS H H 7 9.135 9.135 8.617 0.518 18757 490 1 8 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.466 -0.324 18757 491 1 8 . 1 1 8 8 GLY H H 8 8.588 8.588 8.840 -0.252 18757 492 1 8 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.244 -0.114 18757 493 1 8 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.645 -0.269 18757 494 1 8 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.605 -0.984 18757 495 1 8 . 1 1 9 9 ARG H H 9 8.873 8.873 8.108 0.765 18757 496 1 8 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.358 -0.019 18757 497 1 8 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.396 0.193 18757 498 1 8 . 1 1 10 10 ARG CB C 10 31.418 31.418 30.731 0.687 18757 499 1 8 . 1 1 10 10 ARG H H 10 8.382 8.382 7.766 0.616 18757 500 1 8 . 1 1 11 11 ILE N N 11 119.146 119.146 122.960 -3.814 18757 501 1 8 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.221 0.262 18757 502 1 8 . 1 1 11 11 ILE CA C 11 60.141 60.141 61.389 -1.248 18757 503 1 8 . 1 1 11 11 ILE CB C 11 40.197 40.197 38.768 1.429 18757 504 1 8 . 1 1 11 11 ILE H H 11 8.002 8.002 7.903 0.099 18757 505 1 8 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.477 -0.175 18757 506 1 8 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.471 -1.458 18757 507 1 8 . 1 1 12 12 CYS H H 12 8.821 8.821 8.221 0.600 18757 508 1 8 . 1 1 13 13 ARG N N 13 122.886 122.886 121.674 1.212 18757 509 1 8 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.736 -0.072 18757 510 1 8 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.537 -0.270 18757 511 1 8 . 1 1 13 13 ARG CB C 13 31.817 31.817 33.510 -1.693 18757 512 1 8 . 1 1 13 13 ARG H H 13 8.680 8.680 9.171 -0.491 18757 513 1 8 . 1 1 14 14 CYS N N 14 123.464 123.464 126.490 -3.026 18757 514 1 8 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.226 0.178 18757 515 1 8 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.002 -2.361 18757 516 1 8 . 1 1 14 14 CYS CB C 14 46.464 46.464 25.963 20.501 18757 517 1 8 . 1 1 14 14 CYS H H 14 9.020 9.020 8.902 0.118 18757 518 1 8 . 1 1 15 15 ILE N N 15 124.141 124.141 122.618 1.523 18757 519 1 8 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.586 -0.224 18757 520 1 8 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.964 -0.252 18757 521 1 8 . 1 1 15 15 ILE CB C 15 39.591 39.591 39.612 -0.021 18757 522 1 8 . 1 1 15 15 ILE H H 15 8.780 8.780 8.710 0.070 18757 523 1 8 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.558 -0.011 18757 524 1 8 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.138 -3.040 18757 525 1 8 . 1 1 16 16 CYS H H 16 8.973 8.973 8.584 0.389 18757 526 1 8 . 1 1 17 17 GLY N N 17 111.815 111.815 110.765 1.050 18757 527 1 8 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.501 0.560 18757 528 1 8 . 1 1 17 17 GLY H H 17 8.760 8.760 8.773 -0.013 18757 529 1 9 . 1 1 2 2 ILE N N 2 120.907 120.907 121.596 -0.689 18757 530 1 9 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.465 0.029 18757 531 1 9 . 1 1 2 2 ILE CA C 2 59.956 59.956 59.696 0.260 18757 532 1 9 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.480 -0.283 18757 533 1 9 . 1 1 2 2 ILE H H 2 7.927 7.927 7.573 0.354 18757 534 1 9 . 1 1 3 3 CYS N N 3 124.107 124.107 125.019 -0.912 18757 535 1 9 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.577 -0.269 18757 536 1 9 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.652 -1.639 18757 537 1 9 . 1 1 3 3 CYS H H 3 8.899 8.899 8.810 0.089 18757 538 1 9 . 1 1 4 4 ARG N N 4 123.254 123.254 120.592 2.662 18757 539 1 9 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.685 -0.022 18757 540 1 9 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.110 0.157 18757 541 1 9 . 1 1 4 4 ARG CB C 4 31.817 31.817 32.106 -0.289 18757 542 1 9 . 1 1 4 4 ARG H H 4 8.714 8.714 9.260 -0.546 18757 543 1 9 . 1 1 5 5 CYS N N 5 123.464 123.464 122.488 0.976 18757 544 1 9 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.153 0.251 18757 545 1 9 . 1 1 5 5 CYS CA C 5 55.641 55.641 57.845 -2.204 18757 546 1 9 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.356 20.108 18757 547 1 9 . 1 1 5 5 CYS H H 5 9.020 9.020 8.790 0.230 18757 548 1 9 . 1 1 6 6 ILE N N 6 124.141 124.141 126.745 -2.604 18757 549 1 9 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.220 0.144 18757 550 1 9 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.111 0.601 18757 551 1 9 . 1 1 6 6 ILE CB C 6 39.591 39.591 37.654 1.937 18757 552 1 9 . 1 1 6 6 ILE H H 6 8.780 8.780 8.876 -0.096 18757 553 1 9 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.286 0.045 18757 554 1 9 . 1 1 7 7 CYS CA C 7 55.862 55.862 57.908 -2.046 18757 555 1 9 . 1 1 7 7 CYS H H 7 9.135 9.135 8.892 0.243 18757 556 1 9 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.504 -0.362 18757 557 1 9 . 1 1 8 8 GLY H H 8 8.588 8.588 9.038 -0.450 18757 558 1 9 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.460 -0.330 18757 559 1 9 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.568 -0.192 18757 560 1 9 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.765 -1.144 18757 561 1 9 . 1 1 9 9 ARG H H 9 8.873 8.873 8.338 0.535 18757 562 1 9 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.402 -0.063 18757 563 1 9 . 1 1 10 10 ARG CA C 10 56.589 56.589 55.812 0.777 18757 564 1 9 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.805 -0.387 18757 565 1 9 . 1 1 10 10 ARG H H 10 8.382 8.382 7.909 0.473 18757 566 1 9 . 1 1 11 11 ILE N N 11 119.146 119.146 122.570 -3.424 18757 567 1 9 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.323 0.160 18757 568 1 9 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.306 -0.165 18757 569 1 9 . 1 1 11 11 ILE CB C 11 40.197 40.197 38.773 1.424 18757 570 1 9 . 1 1 11 11 ILE H H 11 8.002 8.002 7.634 0.368 18757 571 1 9 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.493 -0.191 18757 572 1 9 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.679 -1.666 18757 573 1 9 . 1 1 12 12 CYS H H 12 8.821 8.821 8.607 0.214 18757 574 1 9 . 1 1 13 13 ARG N N 13 122.886 122.886 121.005 1.881 18757 575 1 9 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.680 -0.016 18757 576 1 9 . 1 1 13 13 ARG CA C 13 55.267 55.267 53.928 1.339 18757 577 1 9 . 1 1 13 13 ARG CB C 13 31.817 31.817 31.723 0.094 18757 578 1 9 . 1 1 13 13 ARG H H 13 8.680 8.680 8.993 -0.313 18757 579 1 9 . 1 1 14 14 CYS N N 14 123.464 123.464 124.701 -1.237 18757 580 1 9 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.054 0.350 18757 581 1 9 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.346 -2.705 18757 582 1 9 . 1 1 14 14 CYS CB C 14 46.464 46.464 25.809 20.655 18757 583 1 9 . 1 1 14 14 CYS H H 14 9.020 9.020 8.920 0.100 18757 584 1 9 . 1 1 15 15 ILE N N 15 124.141 124.141 121.213 2.928 18757 585 1 9 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.763 -0.401 18757 586 1 9 . 1 1 15 15 ILE CA C 15 60.712 60.712 59.424 1.288 18757 587 1 9 . 1 1 15 15 ILE CB C 15 39.591 39.591 40.975 -1.384 18757 588 1 9 . 1 1 15 15 ILE H H 15 8.780 8.780 9.104 -0.324 18757 589 1 9 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.286 0.261 18757 590 1 9 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.208 -3.110 18757 591 1 9 . 1 1 16 16 CYS H H 16 8.973 8.973 8.630 0.343 18757 592 1 9 . 1 1 17 17 GLY N N 17 111.815 111.815 113.680 -1.865 18757 593 1 9 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.632 0.429 18757 594 1 9 . 1 1 17 17 GLY H H 17 8.760 8.760 9.019 -0.259 18757 595 1 10 . 1 1 2 2 ILE N N 2 120.907 120.907 121.917 -1.010 18757 596 1 10 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.486 0.008 18757 597 1 10 . 1 1 2 2 ILE CA C 2 59.956 59.956 59.699 0.258 18757 598 1 10 . 1 1 2 2 ILE CB C 2 40.197 40.197 39.959 0.238 18757 599 1 10 . 1 1 2 2 ILE H H 2 7.927 7.927 7.573 0.354 18757 600 1 10 . 1 1 3 3 CYS N N 3 124.107 124.107 123.187 0.920 18757 601 1 10 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.341 -0.033 18757 602 1 10 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.819 -1.806 18757 603 1 10 . 1 1 3 3 CYS H H 3 8.899 8.899 8.677 0.222 18757 604 1 10 . 1 1 4 4 ARG N N 4 123.254 123.254 122.714 0.540 18757 605 1 10 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.732 -0.069 18757 606 1 10 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.402 0.865 18757 607 1 10 . 1 1 4 4 ARG CB C 4 31.817 31.817 32.122 -0.305 18757 608 1 10 . 1 1 4 4 ARG H H 4 8.714 8.714 9.061 -0.347 18757 609 1 10 . 1 1 5 5 CYS N N 5 123.464 123.464 125.990 -2.526 18757 610 1 10 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.396 0.008 18757 611 1 10 . 1 1 5 5 CYS CA C 5 55.641 55.641 57.960 -2.319 18757 612 1 10 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.969 19.495 18757 613 1 10 . 1 1 5 5 CYS H H 5 9.020 9.020 8.927 0.093 18757 614 1 10 . 1 1 6 6 ILE N N 6 124.141 124.141 122.992 1.149 18757 615 1 10 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.648 -0.284 18757 616 1 10 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.603 0.109 18757 617 1 10 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.425 0.166 18757 618 1 10 . 1 1 6 6 ILE H H 6 8.780 8.780 8.727 0.053 18757 619 1 10 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.234 0.097 18757 620 1 10 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.174 -2.312 18757 621 1 10 . 1 1 7 7 CYS H H 7 9.135 9.135 8.697 0.438 18757 622 1 10 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.456 -0.314 18757 623 1 10 . 1 1 8 8 GLY H H 8 8.588 8.588 8.967 -0.379 18757 624 1 10 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.325 -0.195 18757 625 1 10 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.211 0.165 18757 626 1 10 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.051 -0.430 18757 627 1 10 . 1 1 9 9 ARG H H 9 8.873 8.873 8.441 0.432 18757 628 1 10 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.497 -0.158 18757 629 1 10 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.094 0.495 18757 630 1 10 . 1 1 10 10 ARG CB C 10 31.418 31.418 30.931 0.487 18757 631 1 10 . 1 1 10 10 ARG H H 10 8.382 8.382 7.942 0.440 18757 632 1 10 . 1 1 11 11 ILE N N 11 119.146 119.146 121.626 -2.480 18757 633 1 10 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.544 -0.061 18757 634 1 10 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.345 -0.204 18757 635 1 10 . 1 1 11 11 ILE CB C 11 40.197 40.197 41.497 -1.300 18757 636 1 10 . 1 1 11 11 ILE H H 11 8.002 8.002 7.773 0.229 18757 637 1 10 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.402 -0.100 18757 638 1 10 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.496 -1.483 18757 639 1 10 . 1 1 12 12 CYS H H 12 8.821 8.821 8.434 0.387 18757 640 1 10 . 1 1 13 13 ARG N N 13 122.886 122.886 121.014 1.872 18757 641 1 10 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.688 -0.024 18757 642 1 10 . 1 1 13 13 ARG CA C 13 55.267 55.267 54.980 0.286 18757 643 1 10 . 1 1 13 13 ARG CB C 13 31.817 31.817 32.041 -0.224 18757 644 1 10 . 1 1 13 13 ARG H H 13 8.680 8.680 9.040 -0.360 18757 645 1 10 . 1 1 14 14 CYS N N 14 123.464 123.464 124.428 -0.964 18757 646 1 10 . 1 1 14 14 CYS HA H 14 5.404 5.404 4.845 0.559 18757 647 1 10 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.678 -3.037 18757 648 1 10 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.686 19.778 18757 649 1 10 . 1 1 14 14 CYS H H 14 9.020 9.020 8.976 0.044 18757 650 1 10 . 1 1 15 15 ILE N N 15 124.141 124.141 127.655 -3.514 18757 651 1 10 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.316 0.046 18757 652 1 10 . 1 1 15 15 ILE CA C 15 60.712 60.712 59.715 0.997 18757 653 1 10 . 1 1 15 15 ILE CB C 15 39.591 39.591 37.447 2.144 18757 654 1 10 . 1 1 15 15 ILE H H 15 8.780 8.780 8.997 -0.217 18757 655 1 10 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.406 0.141 18757 656 1 10 . 1 1 16 16 CYS CA C 16 55.098 55.098 57.495 -2.397 18757 657 1 10 . 1 1 16 16 CYS H H 16 8.973 8.973 9.036 -0.063 18757 658 1 10 . 1 1 17 17 GLY N N 17 111.815 111.815 111.443 0.372 18757 659 1 10 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.469 0.592 18757 660 1 10 . 1 1 17 17 GLY H H 17 8.760 8.760 9.030 -0.270 18757 661 1 11 . 1 1 2 2 ILE N N 2 120.907 120.907 120.254 0.653 18757 662 1 11 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.393 0.101 18757 663 1 11 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.154 -0.198 18757 664 1 11 . 1 1 2 2 ILE CB C 2 40.197 40.197 42.041 -1.844 18757 665 1 11 . 1 1 2 2 ILE H H 2 7.927 7.927 7.547 0.380 18757 666 1 11 . 1 1 3 3 CYS N N 3 124.107 124.107 122.650 1.457 18757 667 1 11 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.439 -0.131 18757 668 1 11 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.559 -1.546 18757 669 1 11 . 1 1 3 3 CYS H H 3 8.899 8.899 8.421 0.478 18757 670 1 11 . 1 1 4 4 ARG N N 4 123.254 123.254 122.488 0.766 18757 671 1 11 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.696 -0.033 18757 672 1 11 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.779 0.488 18757 673 1 11 . 1 1 4 4 ARG CB C 4 31.817 31.817 32.276 -0.459 18757 674 1 11 . 1 1 4 4 ARG H H 4 8.714 8.714 9.237 -0.523 18757 675 1 11 . 1 1 5 5 CYS N N 5 123.464 123.464 126.642 -3.178 18757 676 1 11 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.226 0.178 18757 677 1 11 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.253 -2.612 18757 678 1 11 . 1 1 5 5 CYS CB C 5 46.464 46.464 25.849 20.615 18757 679 1 11 . 1 1 5 5 CYS H H 5 9.020 9.020 8.917 0.103 18757 680 1 11 . 1 1 6 6 ILE N N 6 124.141 124.141 122.602 1.539 18757 681 1 11 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.609 -0.245 18757 682 1 11 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.639 0.073 18757 683 1 11 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.921 -0.330 18757 684 1 11 . 1 1 6 6 ILE H H 6 8.780 8.780 8.688 0.092 18757 685 1 11 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.426 -0.095 18757 686 1 11 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.239 -2.377 18757 687 1 11 . 1 1 7 7 CYS H H 7 9.135 9.135 8.562 0.573 18757 688 1 11 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.255 -0.113 18757 689 1 11 . 1 1 8 8 GLY H H 8 8.588 8.588 8.833 -0.245 18757 690 1 11 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.527 -0.397 18757 691 1 11 . 1 1 9 9 ARG CA C 9 57.376 57.376 56.786 0.590 18757 692 1 11 . 1 1 9 9 ARG CB C 9 29.621 29.621 31.229 -1.608 18757 693 1 11 . 1 1 9 9 ARG H H 9 8.873 8.873 8.581 0.292 18757 694 1 11 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.434 -0.095 18757 695 1 11 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.041 0.548 18757 696 1 11 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.422 -0.004 18757 697 1 11 . 1 1 10 10 ARG H H 10 8.382 8.382 7.888 0.494 18757 698 1 11 . 1 1 11 11 ILE N N 11 119.146 119.146 121.150 -2.004 18757 699 1 11 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.412 0.071 18757 700 1 11 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.342 -0.201 18757 701 1 11 . 1 1 11 11 ILE CB C 11 40.197 40.197 40.750 -0.553 18757 702 1 11 . 1 1 11 11 ILE H H 11 8.002 8.002 7.595 0.407 18757 703 1 11 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.640 -0.338 18757 704 1 11 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.654 -1.641 18757 705 1 11 . 1 1 12 12 CYS H H 12 8.821 8.821 8.614 0.207 18757 706 1 11 . 1 1 13 13 ARG N N 13 122.886 122.886 121.126 1.760 18757 707 1 11 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.582 0.082 18757 708 1 11 . 1 1 13 13 ARG CA C 13 55.267 55.267 56.583 -1.316 18757 709 1 11 . 1 1 13 13 ARG CB C 13 31.817 31.817 33.199 -1.382 18757 710 1 11 . 1 1 13 13 ARG H H 13 8.680 8.680 9.035 -0.355 18757 711 1 11 . 1 1 14 14 CYS N N 14 123.464 123.464 125.968 -2.504 18757 712 1 11 . 1 1 14 14 CYS HA H 14 5.404 5.404 4.981 0.423 18757 713 1 11 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.268 -2.627 18757 714 1 11 . 1 1 14 14 CYS CB C 14 46.464 46.464 25.965 20.499 18757 715 1 11 . 1 1 14 14 CYS H H 14 9.020 9.020 8.734 0.286 18757 716 1 11 . 1 1 15 15 ILE N N 15 124.141 124.141 127.270 -3.129 18757 717 1 11 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.310 0.052 18757 718 1 11 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.958 -0.246 18757 719 1 11 . 1 1 15 15 ILE CB C 15 39.591 39.591 40.115 -0.524 18757 720 1 11 . 1 1 15 15 ILE H H 15 8.780 8.780 9.011 -0.231 18757 721 1 11 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.286 0.261 18757 722 1 11 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.160 -3.062 18757 723 1 11 . 1 1 16 16 CYS H H 16 8.973 8.973 9.027 -0.054 18757 724 1 11 . 1 1 17 17 GLY N N 17 111.815 111.815 113.207 -1.392 18757 725 1 11 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.510 0.551 18757 726 1 11 . 1 1 17 17 GLY H H 17 8.760 8.760 8.475 0.285 18757 727 1 12 . 1 1 2 2 ILE N N 2 120.907 120.907 122.298 -1.391 18757 728 1 12 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.469 0.025 18757 729 1 12 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.414 -0.458 18757 730 1 12 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.505 -0.308 18757 731 1 12 . 1 1 2 2 ILE H H 2 7.927 7.927 7.603 0.324 18757 732 1 12 . 1 1 3 3 CYS N N 3 124.107 124.107 124.153 -0.046 18757 733 1 12 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.623 -0.315 18757 734 1 12 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.597 -1.584 18757 735 1 12 . 1 1 3 3 CYS H H 3 8.899 8.899 8.697 0.202 18757 736 1 12 . 1 1 4 4 ARG N N 4 123.254 123.254 121.216 2.038 18757 737 1 12 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.704 -0.041 18757 738 1 12 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.197 0.070 18757 739 1 12 . 1 1 4 4 ARG CB C 4 31.817 31.817 33.954 -2.137 18757 740 1 12 . 1 1 4 4 ARG H H 4 8.714 8.714 9.168 -0.454 18757 741 1 12 . 1 1 5 5 CYS N N 5 123.464 123.464 122.574 0.890 18757 742 1 12 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.312 0.092 18757 743 1 12 . 1 1 5 5 CYS CA C 5 55.641 55.641 57.946 -2.305 18757 744 1 12 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.069 20.395 18757 745 1 12 . 1 1 5 5 CYS H H 5 9.020 9.020 8.690 0.330 18757 746 1 12 . 1 1 6 6 ILE N N 6 124.141 124.141 122.538 1.603 18757 747 1 12 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.700 -0.336 18757 748 1 12 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.062 0.650 18757 749 1 12 . 1 1 6 6 ILE CB C 6 39.591 39.591 40.321 -0.730 18757 750 1 12 . 1 1 6 6 ILE H H 6 8.780 8.780 8.763 0.017 18757 751 1 12 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.500 -0.169 18757 752 1 12 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.172 -2.310 18757 753 1 12 . 1 1 7 7 CYS H H 7 9.135 9.135 8.684 0.451 18757 754 1 12 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.146 -0.004 18757 755 1 12 . 1 1 8 8 GLY H H 8 8.588 8.588 9.040 -0.452 18757 756 1 12 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.543 -0.413 18757 757 1 12 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.252 0.124 18757 758 1 12 . 1 1 9 9 ARG CB C 9 29.621 29.621 31.042 -1.421 18757 759 1 12 . 1 1 9 9 ARG H H 9 8.873 8.873 8.509 0.364 18757 760 1 12 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.327 0.012 18757 761 1 12 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.141 0.449 18757 762 1 12 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.461 -0.043 18757 763 1 12 . 1 1 10 10 ARG H H 10 8.382 8.382 7.742 0.640 18757 764 1 12 . 1 1 11 11 ILE N N 11 119.146 119.146 122.509 -3.363 18757 765 1 12 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.200 0.283 18757 766 1 12 . 1 1 11 11 ILE CA C 11 60.141 60.141 61.372 -1.231 18757 767 1 12 . 1 1 11 11 ILE CB C 11 40.197 40.197 38.858 1.339 18757 768 1 12 . 1 1 11 11 ILE H H 11 8.002 8.002 7.773 0.229 18757 769 1 12 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.729 -0.426 18757 770 1 12 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.456 -1.444 18757 771 1 12 . 1 1 12 12 CYS H H 12 8.821 8.821 8.501 0.320 18757 772 1 12 . 1 1 13 13 ARG N N 13 122.886 122.886 121.362 1.524 18757 773 1 12 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.591 0.073 18757 774 1 12 . 1 1 13 13 ARG CA C 13 55.267 55.267 56.475 -1.208 18757 775 1 12 . 1 1 13 13 ARG CB C 13 31.817 31.817 33.413 -1.596 18757 776 1 12 . 1 1 13 13 ARG H H 13 8.680 8.680 8.995 -0.315 18757 777 1 12 . 1 1 14 14 CYS N N 14 123.464 123.464 125.338 -1.874 18757 778 1 12 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.232 0.172 18757 779 1 12 . 1 1 14 14 CYS CA C 14 55.641 55.641 57.743 -2.102 18757 780 1 12 . 1 1 14 14 CYS CB C 14 46.464 46.464 25.775 20.689 18757 781 1 12 . 1 1 14 14 CYS H H 14 9.020 9.020 8.650 0.370 18757 782 1 12 . 1 1 15 15 ILE N N 15 124.141 124.141 122.699 1.442 18757 783 1 12 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.555 -0.193 18757 784 1 12 . 1 1 15 15 ILE CA C 15 60.712 60.712 61.105 -0.393 18757 785 1 12 . 1 1 15 15 ILE CB C 15 39.591 39.591 39.568 0.023 18757 786 1 12 . 1 1 15 15 ILE H H 15 8.780 8.780 8.894 -0.114 18757 787 1 12 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.368 0.179 18757 788 1 12 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.201 -3.103 18757 789 1 12 . 1 1 16 16 CYS H H 16 8.973 8.973 8.512 0.461 18757 790 1 12 . 1 1 17 17 GLY N N 17 111.815 111.815 112.569 -0.754 18757 791 1 12 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.072 0.989 18757 792 1 12 . 1 1 17 17 GLY H H 17 8.760 8.760 8.885 -0.125 18757 793 1 13 . 1 1 2 2 ILE N N 2 120.907 120.907 122.736 -1.829 18757 794 1 13 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.332 0.162 18757 795 1 13 . 1 1 2 2 ILE CA C 2 59.956 59.956 61.010 -1.054 18757 796 1 13 . 1 1 2 2 ILE CB C 2 40.197 40.197 39.191 1.006 18757 797 1 13 . 1 1 2 2 ILE H H 2 7.927 7.927 7.648 0.279 18757 798 1 13 . 1 1 3 3 CYS N N 3 124.107 124.107 125.785 -1.678 18757 799 1 13 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.525 -0.217 18757 800 1 13 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.427 -1.414 18757 801 1 13 . 1 1 3 3 CYS H H 3 8.899 8.899 8.766 0.133 18757 802 1 13 . 1 1 4 4 ARG N N 4 123.254 123.254 120.976 2.278 18757 803 1 13 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.715 -0.052 18757 804 1 13 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.200 1.067 18757 805 1 13 . 1 1 4 4 ARG CB C 4 31.817 31.817 30.798 1.019 18757 806 1 13 . 1 1 4 4 ARG H H 4 8.714 8.714 9.273 -0.559 18757 807 1 13 . 1 1 5 5 CYS N N 5 123.464 123.464 123.478 -0.014 18757 808 1 13 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.300 0.104 18757 809 1 13 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.118 -2.477 18757 810 1 13 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.717 19.747 18757 811 1 13 . 1 1 5 5 CYS H H 5 9.020 9.020 8.601 0.419 18757 812 1 13 . 1 1 6 6 ILE N N 6 124.141 124.141 123.303 0.838 18757 813 1 13 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.689 -0.325 18757 814 1 13 . 1 1 6 6 ILE CA C 6 60.712 60.712 59.309 1.403 18757 815 1 13 . 1 1 6 6 ILE CB C 6 39.591 39.591 40.319 -0.728 18757 816 1 13 . 1 1 6 6 ILE H H 6 8.780 8.780 8.747 0.033 18757 817 1 13 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.240 0.091 18757 818 1 13 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.092 -2.229 18757 819 1 13 . 1 1 7 7 CYS H H 7 9.135 9.135 8.557 0.578 18757 820 1 13 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.545 -0.403 18757 821 1 13 . 1 1 8 8 GLY H H 8 8.588 8.588 8.937 -0.349 18757 822 1 13 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.546 -0.416 18757 823 1 13 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.094 0.282 18757 824 1 13 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.940 -1.319 18757 825 1 13 . 1 1 9 9 ARG H H 9 8.873 8.873 8.336 0.537 18757 826 1 13 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.389 -0.050 18757 827 1 13 . 1 1 10 10 ARG CA C 10 56.589 56.589 55.907 0.682 18757 828 1 13 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.546 -0.128 18757 829 1 13 . 1 1 10 10 ARG H H 10 8.382 8.382 7.800 0.583 18757 830 1 13 . 1 1 11 11 ILE N N 11 119.146 119.146 122.050 -2.904 18757 831 1 13 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.252 0.231 18757 832 1 13 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.667 -0.526 18757 833 1 13 . 1 1 11 11 ILE CB C 11 40.197 40.197 39.189 1.008 18757 834 1 13 . 1 1 11 11 ILE H H 11 8.002 8.002 7.607 0.395 18757 835 1 13 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.323 -0.021 18757 836 1 13 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.707 -1.694 18757 837 1 13 . 1 1 12 12 CYS H H 12 8.821 8.821 8.664 0.157 18757 838 1 13 . 1 1 13 13 ARG N N 13 122.886 122.886 121.150 1.736 18757 839 1 13 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.702 -0.038 18757 840 1 13 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.299 -0.032 18757 841 1 13 . 1 1 13 13 ARG CB C 13 31.817 31.817 33.169 -1.353 18757 842 1 13 . 1 1 13 13 ARG H H 13 8.680 8.680 9.262 -0.582 18757 843 1 13 . 1 1 14 14 CYS N N 14 123.464 123.464 124.001 -0.537 18757 844 1 13 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.244 0.160 18757 845 1 13 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.404 -2.763 18757 846 1 13 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.352 20.112 18757 847 1 13 . 1 1 14 14 CYS H H 14 9.020 9.020 8.895 0.125 18757 848 1 13 . 1 1 15 15 ILE N N 15 124.141 124.141 122.605 1.536 18757 849 1 13 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.717 -0.355 18757 850 1 13 . 1 1 15 15 ILE CA C 15 60.712 60.712 59.989 0.723 18757 851 1 13 . 1 1 15 15 ILE CB C 15 39.591 39.591 40.667 -1.076 18757 852 1 13 . 1 1 15 15 ILE H H 15 8.780 8.780 8.755 0.025 18757 853 1 13 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.340 0.207 18757 854 1 13 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.163 -3.065 18757 855 1 13 . 1 1 16 16 CYS H H 16 8.973 8.973 8.566 0.407 18757 856 1 13 . 1 1 17 17 GLY N N 17 111.815 111.815 111.686 0.129 18757 857 1 13 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.142 0.919 18757 858 1 13 . 1 1 17 17 GLY H H 17 8.760 8.760 8.945 -0.185 18757 859 1 14 . 1 1 2 2 ILE N N 2 120.907 120.907 122.153 -1.246 18757 860 1 14 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.428 0.066 18757 861 1 14 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.180 -0.224 18757 862 1 14 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.576 -0.379 18757 863 1 14 . 1 1 2 2 ILE H H 2 7.927 7.927 7.538 0.389 18757 864 1 14 . 1 1 3 3 CYS N N 3 124.107 124.107 123.845 0.262 18757 865 1 14 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.692 -0.384 18757 866 1 14 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.593 -1.580 18757 867 1 14 . 1 1 3 3 CYS H H 3 8.899 8.899 8.650 0.249 18757 868 1 14 . 1 1 4 4 ARG N N 4 123.254 123.254 122.139 1.115 18757 869 1 14 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.685 -0.022 18757 870 1 14 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.200 1.067 18757 871 1 14 . 1 1 4 4 ARG CB C 4 31.817 31.817 33.092 -1.275 18757 872 1 14 . 1 1 4 4 ARG H H 4 8.714 8.714 9.158 -0.444 18757 873 1 14 . 1 1 5 5 CYS N N 5 123.464 123.464 124.250 -0.786 18757 874 1 14 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.091 0.313 18757 875 1 14 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.616 -2.975 18757 876 1 14 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.136 20.328 18757 877 1 14 . 1 1 5 5 CYS H H 5 9.020 9.020 8.881 0.139 18757 878 1 14 . 1 1 6 6 ILE N N 6 124.141 124.141 126.846 -2.705 18757 879 1 14 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.214 0.150 18757 880 1 14 . 1 1 6 6 ILE CA C 6 60.712 60.712 61.531 -0.818 18757 881 1 14 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.447 0.144 18757 882 1 14 . 1 1 6 6 ILE H H 6 8.780 8.780 8.744 0.036 18757 883 1 14 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.557 -0.226 18757 884 1 14 . 1 1 7 7 CYS CA C 7 55.862 55.862 57.894 -2.032 18757 885 1 14 . 1 1 7 7 CYS H H 7 9.135 9.135 8.616 0.519 18757 886 1 14 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.006 0.136 18757 887 1 14 . 1 1 8 8 GLY H H 8 8.588 8.588 8.934 -0.346 18757 888 1 14 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.349 -0.219 18757 889 1 14 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.999 -0.623 18757 890 1 14 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.477 -0.856 18757 891 1 14 . 1 1 9 9 ARG H H 9 8.873 8.873 8.616 0.257 18757 892 1 14 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.431 -0.092 18757 893 1 14 . 1 1 10 10 ARG CA C 10 56.589 56.589 55.927 0.662 18757 894 1 14 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.362 0.056 18757 895 1 14 . 1 1 10 10 ARG H H 10 8.382 8.382 7.927 0.455 18757 896 1 14 . 1 1 11 11 ILE N N 11 119.146 119.146 122.284 -3.138 18757 897 1 14 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.383 0.100 18757 898 1 14 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.433 -0.292 18757 899 1 14 . 1 1 11 11 ILE CB C 11 40.197 40.197 39.954 0.243 18757 900 1 14 . 1 1 11 11 ILE H H 11 8.002 8.002 7.656 0.346 18757 901 1 14 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.774 -0.472 18757 902 1 14 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.714 -1.701 18757 903 1 14 . 1 1 12 12 CYS H H 12 8.821 8.821 8.664 0.157 18757 904 1 14 . 1 1 13 13 ARG N N 13 122.886 122.886 121.252 1.634 18757 905 1 14 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.588 0.076 18757 906 1 14 . 1 1 13 13 ARG CA C 13 55.267 55.267 56.624 -1.357 18757 907 1 14 . 1 1 13 13 ARG CB C 13 31.817 31.817 33.464 -1.647 18757 908 1 14 . 1 1 13 13 ARG H H 13 8.680 8.680 8.936 -0.256 18757 909 1 14 . 1 1 14 14 CYS N N 14 123.464 123.464 124.592 -1.128 18757 910 1 14 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.233 0.171 18757 911 1 14 . 1 1 14 14 CYS CA C 14 55.641 55.641 57.874 -2.233 18757 912 1 14 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.612 19.852 18757 913 1 14 . 1 1 14 14 CYS H H 14 9.020 9.020 8.619 0.401 18757 914 1 14 . 1 1 15 15 ILE N N 15 124.141 124.141 126.911 -2.770 18757 915 1 14 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.319 0.043 18757 916 1 14 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.347 0.365 18757 917 1 14 . 1 1 15 15 ILE CB C 15 39.591 39.591 39.970 -0.379 18757 918 1 14 . 1 1 15 15 ILE H H 15 8.780 8.780 9.036 -0.256 18757 919 1 14 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.421 0.126 18757 920 1 14 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.153 -3.055 18757 921 1 14 . 1 1 16 16 CYS H H 16 8.973 8.973 9.012 -0.039 18757 922 1 14 . 1 1 17 17 GLY N N 17 111.815 111.815 113.987 -2.172 18757 923 1 14 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.313 0.748 18757 924 1 14 . 1 1 17 17 GLY H H 17 8.760 8.760 8.853 -0.093 18757 925 1 15 . 1 1 2 2 ILE N N 2 120.907 120.907 121.105 -0.198 18757 926 1 15 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.418 0.076 18757 927 1 15 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.330 -0.374 18757 928 1 15 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.922 -0.725 18757 929 1 15 . 1 1 2 2 ILE H H 2 7.927 7.927 7.537 0.390 18757 930 1 15 . 1 1 3 3 CYS N N 3 124.107 124.107 123.190 0.917 18757 931 1 15 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.184 0.124 18757 932 1 15 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.892 -1.879 18757 933 1 15 . 1 1 3 3 CYS H H 3 8.899 8.899 8.803 0.096 18757 934 1 15 . 1 1 4 4 ARG N N 4 123.254 123.254 121.965 1.289 18757 935 1 15 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.726 -0.063 18757 936 1 15 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.094 0.173 18757 937 1 15 . 1 1 4 4 ARG CB C 4 31.817 31.817 32.542 -0.725 18757 938 1 15 . 1 1 4 4 ARG H H 4 8.714 8.714 9.047 -0.333 18757 939 1 15 . 1 1 5 5 CYS N N 5 123.464 123.464 123.117 0.347 18757 940 1 15 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.514 -0.110 18757 941 1 15 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.109 -2.468 18757 942 1 15 . 1 1 5 5 CYS CB C 5 46.464 46.464 28.138 18.326 18757 943 1 15 . 1 1 5 5 CYS H H 5 9.020 9.020 8.908 0.112 18757 944 1 15 . 1 1 6 6 ILE N N 6 124.141 124.141 123.045 1.096 18757 945 1 15 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.741 -0.377 18757 946 1 15 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.238 0.474 18757 947 1 15 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.801 -0.210 18757 948 1 15 . 1 1 6 6 ILE H H 6 8.780 8.780 9.031 -0.251 18757 949 1 15 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.341 -0.010 18757 950 1 15 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.315 -2.453 18757 951 1 15 . 1 1 7 7 CYS H H 7 9.135 9.135 8.687 0.448 18757 952 1 15 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.238 -0.096 18757 953 1 15 . 1 1 8 8 GLY H H 8 8.588 8.588 8.914 -0.326 18757 954 1 15 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.546 -0.416 18757 955 1 15 . 1 1 9 9 ARG CA C 9 57.376 57.376 56.143 1.233 18757 956 1 15 . 1 1 9 9 ARG CB C 9 29.621 29.621 31.521 -1.900 18757 957 1 15 . 1 1 9 9 ARG H H 9 8.873 8.873 8.130 0.743 18757 958 1 15 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.436 -0.097 18757 959 1 15 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.736 -0.147 18757 960 1 15 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.278 0.140 18757 961 1 15 . 1 1 10 10 ARG H H 10 8.382 8.382 7.886 0.496 18757 962 1 15 . 1 1 11 11 ILE N N 11 119.146 119.146 122.125 -2.979 18757 963 1 15 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.298 0.185 18757 964 1 15 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.876 -0.735 18757 965 1 15 . 1 1 11 11 ILE CB C 11 40.197 40.197 38.896 1.301 18757 966 1 15 . 1 1 11 11 ILE H H 11 8.002 8.002 7.873 0.129 18757 967 1 15 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.459 -0.157 18757 968 1 15 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.568 -1.555 18757 969 1 15 . 1 1 12 12 CYS H H 12 8.821 8.821 8.501 0.320 18757 970 1 15 . 1 1 13 13 ARG N N 13 122.886 122.886 120.427 2.459 18757 971 1 15 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.674 -0.010 18757 972 1 15 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.264 0.003 18757 973 1 15 . 1 1 13 13 ARG CB C 13 31.817 31.817 32.454 -0.637 18757 974 1 15 . 1 1 13 13 ARG H H 13 8.680 8.680 9.114 -0.434 18757 975 1 15 . 1 1 14 14 CYS N N 14 123.464 123.464 123.838 -0.374 18757 976 1 15 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.357 0.047 18757 977 1 15 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.018 -2.377 18757 978 1 15 . 1 1 14 14 CYS CB C 14 46.464 46.464 28.097 18.367 18757 979 1 15 . 1 1 14 14 CYS H H 14 9.020 9.020 8.736 0.284 18757 980 1 15 . 1 1 15 15 ILE N N 15 124.141 124.141 127.190 -3.049 18757 981 1 15 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.387 -0.025 18757 982 1 15 . 1 1 15 15 ILE CA C 15 60.712 60.712 59.174 1.538 18757 983 1 15 . 1 1 15 15 ILE CB C 15 39.591 39.591 38.602 0.989 18757 984 1 15 . 1 1 15 15 ILE H H 15 8.780 8.780 9.298 -0.518 18757 985 1 15 . 1 1 16 16 CYS HA H 16 5.547 5.547 4.943 0.604 18757 986 1 15 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.419 -3.321 18757 987 1 15 . 1 1 16 16 CYS H H 16 8.973 8.973 9.127 -0.154 18757 988 1 15 . 1 1 17 17 GLY N N 17 111.815 111.815 114.277 -2.462 18757 989 1 15 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.538 0.523 18757 990 1 15 . 1 1 17 17 GLY H H 17 8.760 8.760 9.088 -0.328 18757 991 1 16 . 1 1 2 2 ILE N N 2 120.907 120.907 121.956 -1.049 18757 992 1 16 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.361 0.133 18757 993 1 16 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.517 -0.561 18757 994 1 16 . 1 1 2 2 ILE CB C 2 40.197 40.197 39.612 0.585 18757 995 1 16 . 1 1 2 2 ILE H H 2 7.927 7.927 7.622 0.305 18757 996 1 16 . 1 1 3 3 CYS N N 3 124.107 124.107 124.265 -0.158 18757 997 1 16 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.267 0.041 18757 998 1 16 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.937 -1.923 18757 999 1 16 . 1 1 3 3 CYS H H 3 8.899 8.899 8.767 0.132 18757 1000 1 16 . 1 1 4 4 ARG N N 4 123.254 123.254 122.463 0.791 18757 1001 1 16 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.710 -0.047 18757 1002 1 16 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.171 0.096 18757 1003 1 16 . 1 1 4 4 ARG CB C 4 31.817 31.817 33.154 -1.337 18757 1004 1 16 . 1 1 4 4 ARG H H 4 8.714 8.714 8.860 -0.146 18757 1005 1 16 . 1 1 5 5 CYS N N 5 123.464 123.464 126.396 -2.932 18757 1006 1 16 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.107 0.297 18757 1007 1 16 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.317 -2.676 18757 1008 1 16 . 1 1 5 5 CYS CB C 5 46.464 46.464 25.711 20.753 18757 1009 1 16 . 1 1 5 5 CYS H H 5 9.020 9.020 8.924 0.096 18757 1010 1 16 . 1 1 6 6 ILE N N 6 124.141 124.141 122.247 1.894 18757 1011 1 16 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.716 -0.352 18757 1012 1 16 . 1 1 6 6 ILE CA C 6 60.712 60.712 59.925 0.787 18757 1013 1 16 . 1 1 6 6 ILE CB C 6 39.591 39.591 40.879 -1.288 18757 1014 1 16 . 1 1 6 6 ILE H H 6 8.780 8.780 8.834 -0.054 18757 1015 1 16 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.358 -0.027 18757 1016 1 16 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.161 -2.299 18757 1017 1 16 . 1 1 7 7 CYS H H 7 9.135 9.135 8.538 0.597 18757 1018 1 16 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.574 -0.432 18757 1019 1 16 . 1 1 8 8 GLY H H 8 8.588 8.588 8.986 -0.398 18757 1020 1 16 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.320 -0.190 18757 1021 1 16 . 1 1 9 9 ARG CA C 9 57.376 57.376 58.418 -1.042 18757 1022 1 16 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.447 -0.826 18757 1023 1 16 . 1 1 9 9 ARG H H 9 8.873 8.873 8.535 0.338 18757 1024 1 16 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.400 -0.061 18757 1025 1 16 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.098 0.491 18757 1026 1 16 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.496 -0.078 18757 1027 1 16 . 1 1 10 10 ARG H H 10 8.382 8.382 7.972 0.410 18757 1028 1 16 . 1 1 11 11 ILE N N 11 119.146 119.146 122.464 -3.318 18757 1029 1 16 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.360 0.123 18757 1030 1 16 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.455 -0.314 18757 1031 1 16 . 1 1 11 11 ILE CB C 11 40.197 40.197 39.710 0.487 18757 1032 1 16 . 1 1 11 11 ILE H H 11 8.002 8.002 7.654 0.348 18757 1033 1 16 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.551 -0.249 18757 1034 1 16 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.447 -1.435 18757 1035 1 16 . 1 1 12 12 CYS H H 12 8.821 8.821 8.758 0.063 18757 1036 1 16 . 1 1 13 13 ARG N N 13 122.886 122.886 119.057 3.829 18757 1037 1 16 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.707 -0.043 18757 1038 1 16 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.178 0.089 18757 1039 1 16 . 1 1 13 13 ARG CB C 13 31.817 31.817 31.820 -0.003 18757 1040 1 16 . 1 1 13 13 ARG H H 13 8.680 8.680 9.197 -0.517 18757 1041 1 16 . 1 1 14 14 CYS N N 14 123.464 123.464 123.592 -0.128 18757 1042 1 16 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.186 0.218 18757 1043 1 16 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.191 -2.550 18757 1044 1 16 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.206 20.258 18757 1045 1 16 . 1 1 14 14 CYS H H 14 9.020 9.020 8.822 0.198 18757 1046 1 16 . 1 1 15 15 ILE N N 15 124.141 124.141 126.768 -2.627 18757 1047 1 16 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.430 -0.068 18757 1048 1 16 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.776 -0.064 18757 1049 1 16 . 1 1 15 15 ILE CB C 15 39.591 39.591 40.288 -0.697 18757 1050 1 16 . 1 1 15 15 ILE H H 15 8.780 8.780 8.861 -0.081 18757 1051 1 16 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.495 0.052 18757 1052 1 16 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.513 -3.415 18757 1053 1 16 . 1 1 16 16 CYS H H 16 8.973 8.973 9.035 -0.062 18757 1054 1 16 . 1 1 17 17 GLY N N 17 111.815 111.815 112.988 -1.173 18757 1055 1 16 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.389 0.672 18757 1056 1 16 . 1 1 17 17 GLY H H 17 8.760 8.760 8.680 0.080 18757 1057 1 17 . 1 1 2 2 ILE N N 2 120.907 120.907 120.627 0.280 18757 1058 1 17 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.340 0.154 18757 1059 1 17 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.280 -0.324 18757 1060 1 17 . 1 1 2 2 ILE CB C 2 40.197 40.197 41.876 -1.679 18757 1061 1 17 . 1 1 2 2 ILE H H 2 7.927 7.927 7.528 0.399 18757 1062 1 17 . 1 1 3 3 CYS N N 3 124.107 124.107 122.627 1.480 18757 1063 1 17 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.292 0.016 18757 1064 1 17 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.587 -1.574 18757 1065 1 17 . 1 1 3 3 CYS H H 3 8.899 8.899 8.352 0.547 18757 1066 1 17 . 1 1 4 4 ARG N N 4 123.254 123.254 123.090 0.164 18757 1067 1 17 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.738 -0.075 18757 1068 1 17 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.146 0.121 18757 1069 1 17 . 1 1 4 4 ARG CB C 4 31.817 31.817 33.459 -1.642 18757 1070 1 17 . 1 1 4 4 ARG H H 4 8.714 8.714 9.191 -0.477 18757 1071 1 17 . 1 1 5 5 CYS N N 5 123.464 123.464 126.416 -2.952 18757 1072 1 17 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.081 0.323 18757 1073 1 17 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.353 -2.712 18757 1074 1 17 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.294 20.170 18757 1075 1 17 . 1 1 5 5 CYS H H 5 9.020 9.020 8.915 0.105 18757 1076 1 17 . 1 1 6 6 ILE N N 6 124.141 124.141 126.902 -2.761 18757 1077 1 17 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.274 0.090 18757 1078 1 17 . 1 1 6 6 ILE CA C 6 60.712 60.712 59.977 0.735 18757 1079 1 17 . 1 1 6 6 ILE CB C 6 39.591 39.591 38.751 0.840 18757 1080 1 17 . 1 1 6 6 ILE H H 6 8.780 8.780 9.154 -0.374 18757 1081 1 17 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.096 0.235 18757 1082 1 17 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.153 -2.291 18757 1083 1 17 . 1 1 7 7 CYS H H 7 9.135 9.135 8.791 0.344 18757 1084 1 17 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.569 -0.427 18757 1085 1 17 . 1 1 8 8 GLY H H 8 8.588 8.588 9.075 -0.487 18757 1086 1 17 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.403 -0.273 18757 1087 1 17 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.533 -0.157 18757 1088 1 17 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.731 -1.110 18757 1089 1 17 . 1 1 9 9 ARG H H 9 8.873 8.873 8.483 0.390 18757 1090 1 17 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.421 -0.082 18757 1091 1 17 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.215 0.374 18757 1092 1 17 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.485 -0.067 18757 1093 1 17 . 1 1 10 10 ARG H H 10 8.382 8.382 8.023 0.359 18757 1094 1 17 . 1 1 11 11 ILE N N 11 119.146 119.146 121.850 -2.704 18757 1095 1 17 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.395 0.088 18757 1096 1 17 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.352 -0.212 18757 1097 1 17 . 1 1 11 11 ILE CB C 11 40.197 40.197 40.165 0.032 18757 1098 1 17 . 1 1 11 11 ILE H H 11 8.002 8.002 7.634 0.368 18757 1099 1 17 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.616 -0.314 18757 1100 1 17 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.523 -1.510 18757 1101 1 17 . 1 1 12 12 CYS H H 12 8.821 8.821 8.758 0.063 18757 1102 1 17 . 1 1 13 13 ARG N N 13 122.886 122.886 118.371 4.515 18757 1103 1 17 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.660 0.004 18757 1104 1 17 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.502 -0.235 18757 1105 1 17 . 1 1 13 13 ARG CB C 13 31.817 31.817 31.767 0.050 18757 1106 1 17 . 1 1 13 13 ARG H H 13 8.680 8.680 9.095 -0.415 18757 1107 1 17 . 1 1 14 14 CYS N N 14 123.464 123.464 123.393 0.071 18757 1108 1 17 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.166 0.238 18757 1109 1 17 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.109 -2.468 18757 1110 1 17 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.115 20.349 18757 1111 1 17 . 1 1 14 14 CYS H H 14 9.020 9.020 8.796 0.224 18757 1112 1 17 . 1 1 15 15 ILE N N 15 124.141 124.141 127.239 -3.098 18757 1113 1 17 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.327 0.035 18757 1114 1 17 . 1 1 15 15 ILE CA C 15 60.712 60.712 61.163 -0.451 18757 1115 1 17 . 1 1 15 15 ILE CB C 15 39.591 39.591 39.797 -0.206 18757 1116 1 17 . 1 1 15 15 ILE H H 15 8.780 8.780 9.158 -0.378 18757 1117 1 17 . 1 1 16 16 CYS HA H 16 5.547 5.547 4.902 0.645 18757 1118 1 17 . 1 1 16 16 CYS CA C 16 55.098 55.098 57.739 -2.641 18757 1119 1 17 . 1 1 16 16 CYS H H 16 8.973 8.973 9.024 -0.051 18757 1120 1 17 . 1 1 17 17 GLY N N 17 111.815 111.815 110.935 0.880 18757 1121 1 17 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.189 0.872 18757 1122 1 17 . 1 1 17 17 GLY H H 17 8.760 8.760 8.532 0.228 18757 1123 1 18 . 1 1 2 2 ILE N N 2 120.907 120.907 121.258 -0.351 18757 1124 1 18 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.550 -0.056 18757 1125 1 18 . 1 1 2 2 ILE CA C 2 59.956 59.956 59.507 0.449 18757 1126 1 18 . 1 1 2 2 ILE CB C 2 40.197 40.197 41.461 -1.264 18757 1127 1 18 . 1 1 2 2 ILE H H 2 7.927 7.927 7.586 0.341 18757 1128 1 18 . 1 1 3 3 CYS N N 3 124.107 124.107 122.707 1.400 18757 1129 1 18 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.181 0.127 18757 1130 1 18 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.554 -1.542 18757 1131 1 18 . 1 1 3 3 CYS H H 3 8.899 8.899 8.536 0.363 18757 1132 1 18 . 1 1 4 4 ARG N N 4 123.254 123.254 122.942 0.312 18757 1133 1 18 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.687 -0.024 18757 1134 1 18 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.085 0.182 18757 1135 1 18 . 1 1 4 4 ARG CB C 4 31.817 31.817 31.457 0.360 18757 1136 1 18 . 1 1 4 4 ARG H H 4 8.714 8.714 9.235 -0.521 18757 1137 1 18 . 1 1 5 5 CYS N N 5 123.464 123.464 127.039 -3.575 18757 1138 1 18 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.052 0.352 18757 1139 1 18 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.234 -2.593 18757 1140 1 18 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.367 20.096 18757 1141 1 18 . 1 1 5 5 CYS H H 5 9.020 9.020 9.030 -0.010 18757 1142 1 18 . 1 1 6 6 ILE N N 6 124.141 124.141 127.384 -3.243 18757 1143 1 18 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.136 0.228 18757 1144 1 18 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.345 0.367 18757 1145 1 18 . 1 1 6 6 ILE CB C 6 39.591 39.591 36.610 2.981 18757 1146 1 18 . 1 1 6 6 ILE H H 6 8.780 8.780 8.861 -0.081 18757 1147 1 18 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.479 -0.148 18757 1148 1 18 . 1 1 7 7 CYS CA C 7 55.862 55.862 57.771 -1.909 18757 1149 1 18 . 1 1 7 7 CYS H H 7 9.135 9.135 8.696 0.439 18757 1150 1 18 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.037 0.105 18757 1151 1 18 . 1 1 8 8 GLY H H 8 8.588 8.588 9.019 -0.431 18757 1152 1 18 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.349 -0.219 18757 1153 1 18 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.816 -0.440 18757 1154 1 18 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.637 -1.016 18757 1155 1 18 . 1 1 9 9 ARG H H 9 8.873 8.873 8.475 0.398 18757 1156 1 18 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.433 -0.094 18757 1157 1 18 . 1 1 10 10 ARG CA C 10 56.589 56.589 55.949 0.640 18757 1158 1 18 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.755 -0.337 18757 1159 1 18 . 1 1 10 10 ARG H H 10 8.382 8.382 7.874 0.508 18757 1160 1 18 . 1 1 11 11 ILE N N 11 119.146 119.146 121.963 -2.817 18757 1161 1 18 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.329 0.154 18757 1162 1 18 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.466 -0.325 18757 1163 1 18 . 1 1 11 11 ILE CB C 11 40.197 40.197 39.656 0.541 18757 1164 1 18 . 1 1 11 11 ILE H H 11 8.002 8.002 7.622 0.380 18757 1165 1 18 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.709 -0.407 18757 1166 1 18 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.733 -1.720 18757 1167 1 18 . 1 1 12 12 CYS H H 12 8.821 8.821 8.556 0.265 18757 1168 1 18 . 1 1 13 13 ARG N N 13 122.886 122.886 121.636 1.250 18757 1169 1 18 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.576 0.088 18757 1170 1 18 . 1 1 13 13 ARG CA C 13 55.267 55.267 56.021 -0.754 18757 1171 1 18 . 1 1 13 13 ARG CB C 13 31.817 31.817 31.864 -0.047 18757 1172 1 18 . 1 1 13 13 ARG H H 13 8.680 8.680 8.811 -0.131 18757 1173 1 18 . 1 1 14 14 CYS N N 14 123.464 123.464 126.129 -2.665 18757 1174 1 18 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.085 0.319 18757 1175 1 18 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.162 -2.521 18757 1176 1 18 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.750 19.715 18757 1177 1 18 . 1 1 14 14 CYS H H 14 9.020 9.020 8.675 0.345 18757 1178 1 18 . 1 1 15 15 ILE N N 15 124.141 124.141 127.478 -3.337 18757 1179 1 18 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.301 0.061 18757 1180 1 18 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.251 0.461 18757 1181 1 18 . 1 1 15 15 ILE CB C 15 39.591 39.591 39.506 0.085 18757 1182 1 18 . 1 1 15 15 ILE H H 15 8.780 8.780 8.987 -0.207 18757 1183 1 18 . 1 1 16 16 CYS HA H 16 5.547 5.547 4.955 0.592 18757 1184 1 18 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.805 -3.707 18757 1185 1 18 . 1 1 16 16 CYS H H 16 8.973 8.973 9.080 -0.107 18757 1186 1 18 . 1 1 17 17 GLY N N 17 111.815 111.815 113.229 -1.414 18757 1187 1 18 . 1 1 17 17 GLY CA C 17 46.061 46.061 44.578 1.483 18757 1188 1 18 . 1 1 17 17 GLY H H 17 8.760 8.760 8.844 -0.084 18757 1189 1 19 . 1 1 2 2 ILE N N 2 120.907 120.907 121.652 -0.745 18757 1190 1 19 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.447 0.047 18757 1191 1 19 . 1 1 2 2 ILE CA C 2 59.956 59.956 59.692 0.264 18757 1192 1 19 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.209 -0.012 18757 1193 1 19 . 1 1 2 2 ILE H H 2 7.927 7.927 7.657 0.270 18757 1194 1 19 . 1 1 3 3 CYS N N 3 124.107 124.107 126.318 -2.211 18757 1195 1 19 . 1 1 3 3 CYS HA H 3 5.308 5.308 4.858 0.450 18757 1196 1 19 . 1 1 3 3 CYS CA C 3 56.013 56.013 58.198 -2.185 18757 1197 1 19 . 1 1 3 3 CYS H H 3 8.899 8.899 8.729 0.170 18757 1198 1 19 . 1 1 4 4 ARG N N 4 123.254 123.254 123.965 -0.711 18757 1199 1 19 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.626 0.037 18757 1200 1 19 . 1 1 4 4 ARG CA C 4 55.267 55.267 55.206 0.061 18757 1201 1 19 . 1 1 4 4 ARG CB C 4 31.817 31.817 31.609 0.208 18757 1202 1 19 . 1 1 4 4 ARG H H 4 8.714 8.714 8.942 -0.228 18757 1203 1 19 . 1 1 5 5 CYS N N 5 123.464 123.464 126.546 -3.082 18757 1204 1 19 . 1 1 5 5 CYS HA H 5 5.404 5.404 4.856 0.548 18757 1205 1 19 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.498 -2.857 18757 1206 1 19 . 1 1 5 5 CYS CB C 5 46.464 46.464 25.643 20.821 18757 1207 1 19 . 1 1 5 5 CYS H H 5 9.020 9.020 8.972 0.048 18757 1208 1 19 . 1 1 6 6 ILE N N 6 124.141 124.141 123.044 1.097 18757 1209 1 19 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.660 -0.296 18757 1210 1 19 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.295 0.417 18757 1211 1 19 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.680 -0.089 18757 1212 1 19 . 1 1 6 6 ILE H H 6 8.780 8.780 8.695 0.085 18757 1213 1 19 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.252 0.079 18757 1214 1 19 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.191 -2.329 18757 1215 1 19 . 1 1 7 7 CYS H H 7 9.135 9.135 8.814 0.321 18757 1216 1 19 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.133 0.009 18757 1217 1 19 . 1 1 8 8 GLY H H 8 8.588 8.588 8.691 -0.103 18757 1218 1 19 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.376 -0.246 18757 1219 1 19 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.597 -0.221 18757 1220 1 19 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.495 -0.874 18757 1221 1 19 . 1 1 9 9 ARG H H 9 8.873 8.873 8.478 0.395 18757 1222 1 19 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.413 -0.074 18757 1223 1 19 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.079 0.510 18757 1224 1 19 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.505 -0.087 18757 1225 1 19 . 1 1 10 10 ARG H H 10 8.382 8.382 8.085 0.297 18757 1226 1 19 . 1 1 11 11 ILE N N 11 119.146 119.146 122.548 -3.402 18757 1227 1 19 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.308 0.175 18757 1228 1 19 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.597 -0.456 18757 1229 1 19 . 1 1 11 11 ILE CB C 11 40.197 40.197 39.263 0.934 18757 1230 1 19 . 1 1 11 11 ILE H H 11 8.002 8.002 7.649 0.353 18757 1231 1 19 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.211 0.091 18757 1232 1 19 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.718 -1.705 18757 1233 1 19 . 1 1 12 12 CYS H H 12 8.821 8.821 8.724 0.097 18757 1234 1 19 . 1 1 13 13 ARG N N 13 122.886 122.886 121.424 1.462 18757 1235 1 19 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.671 -0.007 18757 1236 1 19 . 1 1 13 13 ARG CA C 13 55.267 55.267 54.879 0.388 18757 1237 1 19 . 1 1 13 13 ARG CB C 13 31.817 31.817 31.626 0.191 18757 1238 1 19 . 1 1 13 13 ARG H H 13 8.680 8.680 9.155 -0.475 18757 1239 1 19 . 1 1 14 14 CYS N N 14 123.464 123.464 124.462 -0.998 18757 1240 1 19 . 1 1 14 14 CYS HA H 14 5.404 5.404 4.840 0.564 18757 1241 1 19 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.479 -2.838 18757 1242 1 19 . 1 1 14 14 CYS CB C 14 46.464 46.464 25.997 20.467 18757 1243 1 19 . 1 1 14 14 CYS H H 14 9.020 9.020 9.112 -0.092 18757 1244 1 19 . 1 1 15 15 ILE N N 15 124.141 124.141 122.391 1.750 18757 1245 1 19 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.612 -0.250 18757 1246 1 19 . 1 1 15 15 ILE CA C 15 60.712 60.712 59.878 0.834 18757 1247 1 19 . 1 1 15 15 ILE CB C 15 39.591 39.591 38.799 0.792 18757 1248 1 19 . 1 1 15 15 ILE H H 15 8.780 8.780 8.607 0.173 18757 1249 1 19 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.322 0.225 18757 1250 1 19 . 1 1 16 16 CYS CA C 16 55.098 55.098 59.252 -4.154 18757 1251 1 19 . 1 1 16 16 CYS H H 16 8.973 8.973 9.090 -0.117 18757 1252 1 19 . 1 1 17 17 GLY N N 17 111.815 111.815 109.253 2.562 18757 1253 1 19 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.678 0.383 18757 1254 1 19 . 1 1 17 17 GLY H H 17 8.760 8.760 8.614 0.146 18757 1255 1 20 . 1 1 2 2 ILE N N 2 120.907 120.907 119.347 1.560 18757 1256 1 20 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.297 0.197 18757 1257 1 20 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.456 -0.500 18757 1258 1 20 . 1 1 2 2 ILE CB C 2 40.197 40.197 42.171 -1.974 18757 1259 1 20 . 1 1 2 2 ILE H H 2 7.927 7.927 7.474 0.453 18757 1260 1 20 . 1 1 3 3 CYS N N 3 124.107 124.107 121.506 2.601 18757 1261 1 20 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.398 -0.090 18757 1262 1 20 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.253 -1.240 18757 1263 1 20 . 1 1 3 3 CYS H H 3 8.899 8.899 8.381 0.518 18757 1264 1 20 . 1 1 4 4 ARG N N 4 123.254 123.254 121.600 1.654 18757 1265 1 20 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.688 -0.025 18757 1266 1 20 . 1 1 4 4 ARG CA C 4 55.267 55.267 53.714 1.553 18757 1267 1 20 . 1 1 4 4 ARG CB C 4 31.817 31.817 31.884 -0.067 18757 1268 1 20 . 1 1 4 4 ARG H H 4 8.714 8.714 9.073 -0.359 18757 1269 1 20 . 1 1 5 5 CYS N N 5 123.464 123.464 124.447 -0.983 18757 1270 1 20 . 1 1 5 5 CYS HA H 5 5.404 5.404 4.988 0.416 18757 1271 1 20 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.926 -3.285 18757 1272 1 20 . 1 1 5 5 CYS CB C 5 46.464 46.464 25.773 20.691 18757 1273 1 20 . 1 1 5 5 CYS H H 5 9.020 9.020 8.948 0.072 18757 1274 1 20 . 1 1 6 6 ILE N N 6 124.141 124.141 122.405 1.736 18757 1275 1 20 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.751 -0.387 18757 1276 1 20 . 1 1 6 6 ILE CA C 6 60.712 60.712 59.790 0.922 18757 1277 1 20 . 1 1 6 6 ILE CB C 6 39.591 39.591 41.218 -1.627 18757 1278 1 20 . 1 1 6 6 ILE H H 6 8.780 8.780 8.711 0.069 18757 1279 1 20 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.443 -0.112 18757 1280 1 20 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.246 -2.384 18757 1281 1 20 . 1 1 7 7 CYS H H 7 9.135 9.135 8.621 0.514 18757 1282 1 20 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.873 -0.731 18757 1283 1 20 . 1 1 8 8 GLY H H 8 8.588 8.588 9.052 -0.464 18757 1284 1 20 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.468 -0.338 18757 1285 1 20 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.280 0.096 18757 1286 1 20 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.795 -1.174 18757 1287 1 20 . 1 1 9 9 ARG H H 9 8.873 8.873 8.256 0.617 18757 1288 1 20 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.459 -0.120 18757 1289 1 20 . 1 1 10 10 ARG CA C 10 56.589 56.589 55.852 0.737 18757 1290 1 20 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.669 -0.251 18757 1291 1 20 . 1 1 10 10 ARG H H 10 8.382 8.382 8.134 0.248 18757 1292 1 20 . 1 1 11 11 ILE N N 11 119.146 119.146 122.267 -3.121 18757 1293 1 20 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.225 0.258 18757 1294 1 20 . 1 1 11 11 ILE CA C 11 60.141 60.141 61.001 -0.860 18757 1295 1 20 . 1 1 11 11 ILE CB C 11 40.197 40.197 39.022 1.175 18757 1296 1 20 . 1 1 11 11 ILE H H 11 8.002 8.002 7.630 0.372 18757 1297 1 20 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.585 -0.283 18757 1298 1 20 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.593 -1.580 18757 1299 1 20 . 1 1 12 12 CYS H H 12 8.821 8.821 8.556 0.265 18757 1300 1 20 . 1 1 13 13 ARG N N 13 122.886 122.886 121.356 1.530 18757 1301 1 20 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.580 0.084 18757 1302 1 20 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.813 -0.546 18757 1303 1 20 . 1 1 13 13 ARG CB C 13 31.817 31.817 32.506 -0.689 18757 1304 1 20 . 1 1 13 13 ARG H H 13 8.680 8.680 9.107 -0.427 18757 1305 1 20 . 1 1 14 14 CYS N N 14 123.464 123.464 126.182 -2.718 18757 1306 1 20 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.083 0.321 18757 1307 1 20 . 1 1 14 14 CYS CA C 14 55.641 55.641 57.988 -2.347 18757 1308 1 20 . 1 1 14 14 CYS CB C 14 46.464 46.464 25.877 20.587 18757 1309 1 20 . 1 1 14 14 CYS H H 14 9.020 9.020 8.704 0.316 18757 1310 1 20 . 1 1 15 15 ILE N N 15 124.141 124.141 126.756 -2.615 18757 1311 1 20 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.309 0.053 18757 1312 1 20 . 1 1 15 15 ILE CA C 15 60.712 60.712 61.347 -0.635 18757 1313 1 20 . 1 1 15 15 ILE CB C 15 39.591 39.591 39.453 0.138 18757 1314 1 20 . 1 1 15 15 ILE H H 15 8.780 8.780 8.884 -0.104 18757 1315 1 20 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.071 0.476 18757 1316 1 20 . 1 1 16 16 CYS CA C 16 55.098 55.098 57.587 -2.489 18757 1317 1 20 . 1 1 16 16 CYS H H 16 8.973 8.973 8.947 0.026 18757 1318 1 20 . 1 1 17 17 GLY N N 17 111.815 111.815 108.482 3.333 18757 1319 1 20 . 1 1 17 17 GLY CA C 17 46.061 46.061 44.919 1.141 18757 1320 1 20 . 1 1 17 17 GLY H H 17 8.760 8.760 8.620 0.140 18757 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 10 2.123 0.734 2.100 18757 2 1 1 "Average Difference" HA 18 0.241 0.022 0.247 18757 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18757 4 1 1 "Average Difference" CA 16 1.650 0.777 1.503 18757 5 1 1 "Average Difference" CB 10 9.202 -4.331 8.558 18757 6 1 1 "Average Difference" HN 16 0.263 -0.111 0.246 18757 7 1 2 "Average Difference" N 10 2.018 1.284 1.641 18757 8 1 2 "Average Difference" HA 18 0.240 0.001 0.247 18757 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18757 10 1 2 "Average Difference" CA 16 1.524 0.974 1.210 18757 11 1 2 "Average Difference" CB 10 9.246 -3.606 8.974 18757 12 1 2 "Average Difference" HN 16 0.303 -0.092 0.299 18757 13 1 3 "Average Difference" N 10 2.382 1.598 1.862 18757 14 1 3 "Average Difference" HA 18 0.241 -0.050 0.243 18757 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18757 16 1 3 "Average Difference" CA 16 1.691 0.814 1.531 18757 17 1 3 "Average Difference" CB 10 9.186 -4.182 8.622 18757 18 1 3 "Average Difference" HN 16 0.334 -0.073 0.337 18757 19 1 4 "Average Difference" N 10 2.265 0.977 2.154 18757 20 1 4 "Average Difference" HA 18 0.251 -0.046 0.254 18757 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18757 22 1 4 "Average Difference" CA 16 1.579 0.729 1.447 18757 23 1 4 "Average Difference" CB 10 8.801 -3.973 8.278 18757 24 1 4 "Average Difference" HN 16 0.366 -0.057 0.374 18757 25 1 5 "Average Difference" N 10 1.633 0.723 1.544 18757 26 1 5 "Average Difference" HA 18 0.236 0.034 0.240 18757 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18757 28 1 5 "Average Difference" CA 16 1.638 0.754 1.502 18757 29 1 5 "Average Difference" CB 10 9.095 -3.790 8.715 18757 30 1 5 "Average Difference" HN 16 0.288 -0.072 0.288 18757 31 1 6 "Average Difference" N 10 1.511 0.377 1.543 18757 32 1 6 "Average Difference" HA 18 0.279 -0.027 0.286 18757 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18757 34 1 6 "Average Difference" CA 16 1.699 0.886 1.497 18757 35 1 6 "Average Difference" CB 10 9.196 -3.582 8.927 18757 36 1 6 "Average Difference" HN 16 0.349 -0.082 0.350 18757 37 1 7 "Average Difference" N 10 1.974 0.788 1.907 18757 38 1 7 "Average Difference" HA 18 0.180 0.047 0.179 18757 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18757 40 1 7 "Average Difference" CA 16 1.407 0.850 1.158 18757 41 1 7 "Average Difference" CB 10 8.750 -3.603 8.405 18757 42 1 7 "Average Difference" HN 16 0.378 -0.140 0.363 18757 43 1 8 "Average Difference" N 10 2.089 0.529 2.131 18757 44 1 8 "Average Difference" HA 18 0.195 0.066 0.188 18757 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18757 46 1 8 "Average Difference" CA 16 1.403 0.883 1.126 18757 47 1 8 "Average Difference" CB 10 9.069 -3.803 8.678 18757 48 1 8 "Average Difference" HN 16 0.403 -0.156 0.384 18757 49 1 9 "Average Difference" N 10 2.121 0.228 2.222 18757 50 1 9 "Average Difference" HA 18 0.211 0.024 0.216 18757 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18757 52 1 9 "Average Difference" CA 16 1.508 0.577 1.439 18757 53 1 9 "Average Difference" CB 10 9.167 -4.073 8.656 18757 54 1 9 "Average Difference" HN 16 0.339 -0.060 0.345 18757 55 1 10 "Average Difference" N 10 1.815 0.564 1.818 18757 56 1 10 "Average Difference" HA 18 0.200 0.043 0.201 18757 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18757 58 1 10 "Average Difference" CA 16 1.454 0.632 1.353 18757 59 1 10 "Average Difference" CB 10 8.821 -4.005 8.285 18757 60 1 10 "Average Difference" HN 16 0.304 -0.066 0.307 18757 61 1 11 "Average Difference" N 10 2.018 0.603 2.030 18757 62 1 11 "Average Difference" HA 18 0.244 0.059 0.243 18757 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18757 64 1 11 "Average Difference" CA 16 1.519 0.856 1.296 18757 65 1 11 "Average Difference" CB 10 9.241 -3.441 9.040 18757 66 1 11 "Average Difference" HN 16 0.348 -0.137 0.330 18757 67 1 12 "Average Difference" N 10 1.710 -0.007 1.803 18757 68 1 12 "Average Difference" HA 18 0.241 0.097 0.227 18757 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18757 70 1 12 "Average Difference" CA 16 1.463 0.866 1.218 18757 71 1 12 "Average Difference" CB 10 9.249 -3.621 8.972 18757 72 1 12 "Average Difference" HN 16 0.357 -0.140 0.339 18757 73 1 13 "Average Difference" N 10 1.618 0.045 1.704 18757 74 1 13 "Average Difference" HA 18 0.212 0.060 0.210 18757 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18757 76 1 13 "Average Difference" CA 16 1.573 0.661 1.474 18757 77 1 13 "Average Difference" CB 10 8.960 -3.829 8.539 18757 78 1 13 "Average Difference" HN 16 0.388 -0.125 0.379 18757 79 1 14 "Average Difference" N 10 1.923 1.093 1.667 18757 80 1 14 "Average Difference" HA 18 0.210 0.046 0.211 18757 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18757 82 1 14 "Average Difference" CA 16 1.541 0.870 1.314 18757 83 1 14 "Average Difference" CB 10 9.015 -3.609 8.709 18757 84 1 14 "Average Difference" HN 16 0.310 -0.095 0.305 18757 85 1 15 "Average Difference" N 10 1.852 0.295 1.927 18757 86 1 15 "Average Difference" HA 18 0.236 0.052 0.237 18757 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18757 88 1 15 "Average Difference" CA 16 1.578 0.716 1.453 18757 89 1 15 "Average Difference" CB 10 8.252 -3.493 7.881 18757 90 1 15 "Average Difference" HN 16 0.374 -0.042 0.384 18757 91 1 16 "Average Difference" N 10 2.189 0.487 2.249 18757 92 1 16 "Average Difference" HA 18 0.182 0.042 0.182 18757 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18757 94 1 16 "Average Difference" CA 16 1.569 0.911 1.319 18757 95 1 16 "Average Difference" CB 10 9.199 -3.785 8.838 18757 96 1 16 "Average Difference" HN 16 0.295 -0.082 0.292 18757 97 1 17 "Average Difference" N 10 2.381 0.412 2.472 18757 98 1 17 "Average Difference" HA 18 0.233 -0.058 0.232 18757 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18757 100 1 17 "Average Difference" CA 16 1.425 0.806 1.214 18757 101 1 17 "Average Difference" CB 10 9.102 -3.674 8.778 18757 102 1 17 "Average Difference" HN 16 0.357 -0.053 0.364 18757 103 1 18 "Average Difference" N 10 2.350 1.444 1.954 18757 104 1 18 "Average Difference" HA 18 0.257 -0.006 0.264 18757 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18757 106 1 18 "Average Difference" CA 16 1.579 0.739 1.441 18757 107 1 18 "Average Difference" CB 10 8.970 -4.111 8.403 18757 108 1 18 "Average Difference" HN 16 0.329 -0.092 0.327 18757 109 1 19 "Average Difference" N 10 2.024 0.428 2.086 18757 110 1 19 "Average Difference" HA 18 0.266 -0.053 0.268 18757 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18757 112 1 19 "Average Difference" CA 16 1.738 0.867 1.555 18757 113 1 19 "Average Difference" CB 10 9.245 -4.235 8.663 18757 114 1 19 "Average Difference" HN 16 0.244 -0.084 0.237 18757 115 1 20 "Average Difference" N 10 2.309 -0.298 2.414 18757 116 1 20 "Average Difference" HA 18 0.255 -0.049 0.258 18757 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18757 118 1 20 "Average Difference" CA 16 1.572 0.759 1.422 18757 119 1 20 "Average Difference" CB 10 9.284 -3.681 8.984 18757 120 1 20 "Average Difference" HN 16 0.358 -0.141 0.340 18757 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 18757 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ILE N N 2 120.907 120.907 121.389 -0.482 18757 2 1 . 1 1 2 2 ILE HA H 2 4.494 4.494 4.449 0.045 18757 3 1 . 1 1 2 2 ILE CA C 2 59.956 59.956 60.179 -0.223 18757 4 1 . 1 1 2 2 ILE CB C 2 40.197 40.197 40.634 -0.437 18757 5 1 . 1 1 2 2 ILE H H 2 7.927 7.927 7.554 0.373 18757 6 1 . 1 1 3 3 CYS N N 3 124.107 124.107 123.798 0.309 18757 7 1 . 1 1 3 3 CYS HA H 3 5.308 5.308 5.354 -0.046 18757 8 1 . 1 1 3 3 CYS CA C 3 56.013 56.013 57.658 -1.645 18757 9 1 . 1 1 3 3 CYS H H 3 8.899 8.899 8.624 0.275 18757 10 1 . 1 1 4 4 ARG N N 4 123.254 123.254 122.362 0.892 18757 11 1 . 1 1 4 4 ARG HA H 4 4.663 4.663 4.688 -0.025 18757 12 1 . 1 1 4 4 ARG CA C 4 55.267 55.267 54.796 0.471 18757 13 1 . 1 1 4 4 ARG CB C 4 31.817 31.817 32.154 -0.337 18757 14 1 . 1 1 4 4 ARG H H 4 8.714 8.714 9.086 -0.372 18757 15 1 . 1 1 5 5 CYS N N 5 123.464 123.464 125.319 -1.855 18757 16 1 . 1 1 5 5 CYS HA H 5 5.404 5.404 5.124 0.280 18757 17 1 . 1 1 5 5 CYS CA C 5 55.641 55.641 58.302 -2.661 18757 18 1 . 1 1 5 5 CYS CB C 5 46.464 46.464 26.319 20.145 18757 19 1 . 1 1 5 5 CYS H H 5 9.020 9.020 8.894 0.126 18757 20 1 . 1 1 6 6 ILE N N 6 124.141 124.141 124.213 -0.072 18757 21 1 . 1 1 6 6 ILE HA H 6 4.364 4.364 4.543 -0.179 18757 22 1 . 1 1 6 6 ILE CA C 6 60.712 60.712 60.270 0.442 18757 23 1 . 1 1 6 6 ILE CB C 6 39.591 39.591 39.661 -0.070 18757 24 1 . 1 1 6 6 ILE H H 6 8.780 8.780 8.828 -0.048 18757 25 1 . 1 1 7 7 CYS HA H 7 5.331 5.331 5.348 -0.017 18757 26 1 . 1 1 7 7 CYS CA C 7 55.862 55.862 58.090 -2.228 18757 27 1 . 1 1 7 7 CYS H H 7 9.135 9.135 8.708 0.427 18757 28 1 . 1 1 8 8 GLY CA C 8 45.142 45.142 45.420 -0.278 18757 29 1 . 1 1 8 8 GLY H H 8 8.588 8.588 8.918 -0.330 18757 30 1 . 1 1 9 9 ARG HA H 9 4.130 4.130 4.421 -0.291 18757 31 1 . 1 1 9 9 ARG CA C 9 57.376 57.376 57.487 -0.111 18757 32 1 . 1 1 9 9 ARG CB C 9 29.621 29.621 30.686 -1.065 18757 33 1 . 1 1 9 9 ARG H H 9 8.873 8.873 8.365 0.508 18757 34 1 . 1 1 10 10 ARG HA H 10 4.339 4.339 4.420 -0.081 18757 35 1 . 1 1 10 10 ARG CA C 10 56.589 56.589 56.045 0.544 18757 36 1 . 1 1 10 10 ARG CB C 10 31.418 31.418 31.473 -0.055 18757 37 1 . 1 1 10 10 ARG H H 10 8.382 8.382 7.928 0.454 18757 38 1 . 1 1 11 11 ILE N N 11 119.146 119.146 122.215 -3.069 18757 39 1 . 1 1 11 11 ILE HA H 11 4.483 4.483 4.315 0.168 18757 40 1 . 1 1 11 11 ILE CA C 11 60.141 60.141 60.700 -0.559 18757 41 1 . 1 1 11 11 ILE CB C 11 40.197 40.197 39.463 0.734 18757 42 1 . 1 1 11 11 ILE H H 11 8.002 8.002 7.725 0.278 18757 43 1 . 1 1 12 12 CYS HA H 12 5.302 5.302 5.505 -0.202 18757 44 1 . 1 1 12 12 CYS CA C 12 56.013 56.013 57.599 -1.586 18757 45 1 . 1 1 12 12 CYS H H 12 8.821 8.821 8.562 0.259 18757 46 1 . 1 1 13 13 ARG N N 13 122.886 122.886 121.135 1.751 18757 47 1 . 1 1 13 13 ARG HA H 13 4.664 4.664 4.665 -0.001 18757 48 1 . 1 1 13 13 ARG CA C 13 55.267 55.267 55.404 -0.137 18757 49 1 . 1 1 13 13 ARG CB C 13 31.817 31.817 32.477 -0.660 18757 50 1 . 1 1 13 13 ARG H H 13 8.680 8.680 9.092 -0.412 18757 51 1 . 1 1 14 14 CYS N N 14 123.464 123.464 125.190 -1.726 18757 52 1 . 1 1 14 14 CYS HA H 14 5.404 5.404 5.099 0.305 18757 53 1 . 1 1 14 14 CYS CA C 14 55.641 55.641 58.307 -2.666 18757 54 1 . 1 1 14 14 CYS CB C 14 46.464 46.464 26.322 20.142 18757 55 1 . 1 1 14 14 CYS H H 14 9.020 9.020 8.859 0.161 18757 56 1 . 1 1 15 15 ILE N N 15 124.141 124.141 125.491 -1.350 18757 57 1 . 1 1 15 15 ILE HA H 15 4.362 4.362 4.454 -0.092 18757 58 1 . 1 1 15 15 ILE CA C 15 60.712 60.712 60.326 0.386 18757 59 1 . 1 1 15 15 ILE CB C 15 39.591 39.591 39.774 -0.183 18757 60 1 . 1 1 15 15 ILE H H 15 8.780 8.780 8.918 -0.138 18757 61 1 . 1 1 16 16 CYS HA H 16 5.547 5.547 5.204 0.343 18757 62 1 . 1 1 16 16 CYS CA C 16 55.098 55.098 58.264 -3.166 18757 63 1 . 1 1 16 16 CYS H H 16 8.973 8.973 8.936 0.037 18757 64 1 . 1 1 17 17 GLY N N 17 111.815 111.815 112.366 -0.551 18757 65 1 . 1 1 17 17 GLY CA C 17 46.061 46.061 45.384 0.677 18757 66 1 . 1 1 17 17 GLY H H 17 8.760 8.760 8.838 -0.078 18757 stop_ save_