data_19142 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19142 _Entry.PDB_ID 2M6J 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 19142 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.651 0.088 19142 2 1 1 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.306 -0.235 19142 3 1 1 . 1 1 2 2 LYS H H 2 8.713 8.713 8.216 0.497 19142 4 1 1 . 1 1 3 3 SER N N 3 119.185 119.185 118.362 0.823 19142 5 1 1 . 1 1 3 3 SER HA H 3 4.634 4.634 4.735 -0.101 19142 6 1 1 . 1 1 3 3 SER CB C 3 64.237 64.237 64.977 -0.740 19142 7 1 1 . 1 1 3 3 SER H H 3 8.714 8.714 8.388 0.326 19142 8 1 1 . 1 1 4 4 CYS N N 4 123.655 123.655 123.462 0.193 19142 9 1 1 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.465 -0.161 19142 10 1 1 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.675 10.370 19142 11 1 1 . 1 1 4 4 CYS H H 4 8.709 8.709 8.793 -0.084 19142 12 1 1 . 1 1 5 5 GLU N N 5 122.846 122.846 121.864 0.982 19142 13 1 1 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.673 -0.143 19142 14 1 1 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.761 -0.407 19142 15 1 1 . 1 1 5 5 GLU H H 5 8.754 8.754 9.434 -0.680 19142 16 1 1 . 1 1 6 6 THR N N 6 117.072 117.072 115.520 1.552 19142 17 1 1 . 1 1 6 6 THR HA H 6 4.837 4.837 5.029 -0.192 19142 18 1 1 . 1 1 6 6 THR CB C 6 69.935 69.935 70.261 -0.327 19142 19 1 1 . 1 1 6 6 THR H H 6 8.314 8.314 8.336 -0.022 19142 20 1 1 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.941 -0.143 19142 21 1 1 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.624 0.957 19142 22 1 1 . 1 1 7 7 PHE H H 7 9.018 9.018 7.512 1.506 19142 23 1 1 . 1 1 8 8 ILE N N 8 121.914 121.914 122.149 -0.235 19142 24 1 1 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.126 -0.432 19142 25 1 1 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.514 -0.531 19142 26 1 1 . 1 1 8 8 ILE H H 8 8.542 8.542 8.417 0.125 19142 27 1 1 . 1 1 9 9 VAL N N 9 125.551 125.551 124.857 0.694 19142 28 1 1 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.604 -0.049 19142 29 1 1 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.301 -0.179 19142 30 1 1 . 1 1 9 9 VAL H H 9 8.714 8.714 8.066 0.648 19142 31 1 1 . 1 1 10 10 ALA N N 10 126.210 126.210 123.305 2.905 19142 32 1 1 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.828 -0.182 19142 33 1 1 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.733 1.184 19142 34 1 1 . 1 1 10 10 ALA H H 10 8.405 8.405 8.539 -0.134 19142 35 1 1 . 1 1 11 11 CYS N N 11 120.017 120.017 122.443 -2.426 19142 36 1 1 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.358 0.572 19142 37 1 1 . 1 1 11 11 CYS CB C 11 42.835 42.835 26.956 15.879 19142 38 1 1 . 1 1 11 11 CYS H H 11 8.599 8.599 8.456 0.143 19142 39 1 1 . 1 1 12 12 ASP N N 12 119.719 119.719 118.271 1.448 19142 40 1 1 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.803 -0.353 19142 41 1 1 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.559 1.287 19142 42 1 1 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.865 -1.089 19142 43 1 1 . 1 1 12 12 ASP H H 12 8.649 8.649 8.220 0.429 19142 44 1 1 . 1 1 13 13 GLY N N 13 107.940 107.940 107.791 0.149 19142 45 1 1 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.794 0.466 19142 46 1 1 . 1 1 13 13 GLY H H 13 8.546 8.546 7.507 1.039 19142 47 1 1 . 1 1 14 14 GLY N N 14 108.342 108.342 105.585 2.757 19142 48 1 1 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.980 0.500 19142 49 1 1 . 1 1 14 14 GLY H H 14 8.171 8.171 7.887 0.284 19142 50 1 1 . 1 1 15 15 LYS N N 15 120.019 120.019 119.653 0.366 19142 51 1 1 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.721 -0.343 19142 52 1 1 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.013 0.861 19142 53 1 1 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.119 -1.522 19142 54 1 1 . 1 1 15 15 LYS H H 15 7.709 7.709 7.869 -0.160 19142 55 1 1 . 1 1 16 16 ALA N N 16 123.520 123.520 123.599 -0.079 19142 56 1 1 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.550 0.096 19142 57 1 1 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.389 -0.084 19142 58 1 1 . 1 1 16 16 ALA H H 16 8.288 8.288 8.286 0.002 19142 59 1 1 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.678 0.192 19142 60 1 1 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.974 9.977 19142 61 1 1 . 1 1 17 17 CYS H H 17 8.916 8.916 8.369 0.547 19142 62 1 1 . 1 1 18 18 ARG N N 18 122.376 122.376 122.762 -0.386 19142 63 1 1 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.769 0.042 19142 64 1 1 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.605 2.040 19142 65 1 1 . 1 1 18 18 ARG H H 18 8.546 8.546 8.581 -0.035 19142 66 1 1 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.079 0.532 19142 67 1 1 . 1 1 19 19 GLU CB C 19 31.571 31.571 29.903 1.668 19142 68 1 1 . 1 1 19 19 GLU H H 19 8.997 8.997 7.739 1.258 19142 69 1 1 . 1 1 20 20 VAL N N 20 123.513 123.513 124.599 -1.086 19142 70 1 1 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.038 0.644 19142 71 1 1 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.583 0.783 19142 72 1 1 . 1 1 20 20 VAL H H 20 8.581 8.581 8.300 0.281 19142 73 1 1 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.784 -0.062 19142 74 1 1 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.894 -0.960 19142 75 1 1 . 1 1 21 21 LYS H H 21 8.902 8.902 8.755 0.147 19142 76 1 1 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.503 -0.112 19142 77 1 1 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.067 9.603 19142 78 1 1 . 1 1 22 22 CYS H H 22 8.986 8.986 8.631 0.355 19142 79 1 1 . 1 1 23 23 LYS N N 23 122.935 122.935 122.172 0.763 19142 80 1 1 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.782 -0.207 19142 81 1 1 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.111 -0.329 19142 82 1 1 . 1 1 23 23 LYS H H 23 8.844 8.844 9.252 -0.408 19142 83 1 1 . 1 1 24 24 THR N N 24 117.783 117.783 115.423 2.360 19142 84 1 1 . 1 1 24 24 THR HA H 24 4.494 4.494 4.365 0.129 19142 85 1 1 . 1 1 24 24 THR CA C 24 62.443 62.443 61.483 0.960 19142 86 1 1 . 1 1 24 24 THR CB C 24 69.712 69.712 69.324 0.388 19142 87 1 1 . 1 1 24 24 THR H H 24 8.518 8.518 8.372 0.146 19142 88 1 2 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.631 0.108 19142 89 1 2 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.259 -0.188 19142 90 1 2 . 1 1 2 2 LYS H H 2 8.713 8.713 8.255 0.458 19142 91 1 2 . 1 1 3 3 SER N N 3 119.185 119.185 118.806 0.379 19142 92 1 2 . 1 1 3 3 SER HA H 3 4.634 4.634 4.791 -0.157 19142 93 1 2 . 1 1 3 3 SER CB C 3 64.237 64.237 64.479 -0.242 19142 94 1 2 . 1 1 3 3 SER H H 3 8.714 8.714 8.320 0.394 19142 95 1 2 . 1 1 4 4 CYS N N 4 123.655 123.655 125.737 -2.082 19142 96 1 2 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.547 -0.243 19142 97 1 2 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.128 10.917 19142 98 1 2 . 1 1 4 4 CYS H H 4 8.709 8.709 8.981 -0.272 19142 99 1 2 . 1 1 5 5 GLU N N 5 122.846 122.846 121.980 0.866 19142 100 1 2 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.629 -0.099 19142 101 1 2 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.514 -0.160 19142 102 1 2 . 1 1 5 5 GLU H H 5 8.754 8.754 9.304 -0.550 19142 103 1 2 . 1 1 6 6 THR N N 6 117.072 117.072 115.473 1.599 19142 104 1 2 . 1 1 6 6 THR HA H 6 4.837 4.837 4.995 -0.158 19142 105 1 2 . 1 1 6 6 THR CB C 6 69.935 69.935 70.493 -0.558 19142 106 1 2 . 1 1 6 6 THR H H 6 8.314 8.314 8.347 -0.033 19142 107 1 2 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.923 -0.125 19142 108 1 2 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.820 0.761 19142 109 1 2 . 1 1 7 7 PHE H H 7 9.018 9.018 7.547 1.471 19142 110 1 2 . 1 1 8 8 ILE N N 8 121.914 121.914 122.405 -0.491 19142 111 1 2 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.079 -0.385 19142 112 1 2 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.421 -0.438 19142 113 1 2 . 1 1 8 8 ILE H H 8 8.542 8.542 8.431 0.111 19142 114 1 2 . 1 1 9 9 VAL N N 9 125.551 125.551 124.789 0.762 19142 115 1 2 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.595 -0.040 19142 116 1 2 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.411 -0.289 19142 117 1 2 . 1 1 9 9 VAL H H 9 8.714 8.714 8.009 0.705 19142 118 1 2 . 1 1 10 10 ALA N N 10 126.210 126.210 123.153 3.057 19142 119 1 2 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.847 -0.201 19142 120 1 2 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.718 1.199 19142 121 1 2 . 1 1 10 10 ALA H H 10 8.405 8.405 8.507 -0.102 19142 122 1 2 . 1 1 11 11 CYS N N 11 120.017 120.017 121.807 -1.790 19142 123 1 2 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.335 0.595 19142 124 1 2 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.149 15.686 19142 125 1 2 . 1 1 11 11 CYS H H 11 8.599 8.599 8.488 0.111 19142 126 1 2 . 1 1 12 12 ASP N N 12 119.719 119.719 119.624 0.095 19142 127 1 2 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.781 -0.331 19142 128 1 2 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.745 1.101 19142 129 1 2 . 1 1 12 12 ASP CB C 12 39.776 39.776 39.917 -0.141 19142 130 1 2 . 1 1 12 12 ASP H H 12 8.649 8.649 8.039 0.610 19142 131 1 2 . 1 1 13 13 GLY N N 13 107.940 107.940 107.653 0.287 19142 132 1 2 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.442 0.818 19142 133 1 2 . 1 1 13 13 GLY H H 13 8.546 8.546 7.799 0.747 19142 134 1 2 . 1 1 14 14 GLY N N 14 108.342 108.342 105.866 2.476 19142 135 1 2 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.014 0.466 19142 136 1 2 . 1 1 14 14 GLY H H 14 8.171 8.171 8.191 -0.020 19142 137 1 2 . 1 1 15 15 LYS N N 15 120.019 120.019 120.344 -0.325 19142 138 1 2 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.269 0.109 19142 139 1 2 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.067 -0.193 19142 140 1 2 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.814 0.783 19142 141 1 2 . 1 1 15 15 LYS H H 15 7.709 7.709 7.921 -0.212 19142 142 1 2 . 1 1 16 16 ALA N N 16 123.520 123.520 122.192 1.328 19142 143 1 2 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.465 0.181 19142 144 1 2 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.621 -0.316 19142 145 1 2 . 1 1 16 16 ALA H H 16 8.288 8.288 8.189 0.099 19142 146 1 2 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.680 0.190 19142 147 1 2 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.961 9.990 19142 148 1 2 . 1 1 17 17 CYS H H 17 8.916 8.916 8.395 0.521 19142 149 1 2 . 1 1 18 18 ARG N N 18 122.376 122.376 122.581 -0.205 19142 150 1 2 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.785 0.026 19142 151 1 2 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.659 1.986 19142 152 1 2 . 1 1 18 18 ARG H H 18 8.546 8.546 8.568 -0.022 19142 153 1 2 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.045 0.566 19142 154 1 2 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.234 1.337 19142 155 1 2 . 1 1 19 19 GLU H H 19 8.997 8.997 7.692 1.305 19142 156 1 2 . 1 1 20 20 VAL N N 20 123.513 123.513 125.135 -1.622 19142 157 1 2 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.222 0.460 19142 158 1 2 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.824 0.542 19142 159 1 2 . 1 1 20 20 VAL H H 20 8.581 8.581 8.334 0.247 19142 160 1 2 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.788 -0.066 19142 161 1 2 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.861 -0.927 19142 162 1 2 . 1 1 21 21 LYS H H 21 8.902 8.902 8.896 0.006 19142 163 1 2 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.658 -0.267 19142 164 1 2 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.140 9.530 19142 165 1 2 . 1 1 22 22 CYS H H 22 8.986 8.986 8.762 0.224 19142 166 1 2 . 1 1 23 23 LYS N N 23 122.935 122.935 122.559 0.376 19142 167 1 2 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.758 -0.183 19142 168 1 2 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.245 -0.463 19142 169 1 2 . 1 1 23 23 LYS H H 23 8.844 8.844 9.335 -0.491 19142 170 1 2 . 1 1 24 24 THR N N 24 117.783 117.783 119.526 -1.743 19142 171 1 2 . 1 1 24 24 THR HA H 24 4.494 4.494 4.393 0.101 19142 172 1 2 . 1 1 24 24 THR CA C 24 62.443 62.443 62.861 -0.418 19142 173 1 2 . 1 1 24 24 THR CB C 24 69.712 69.712 69.150 0.562 19142 174 1 2 . 1 1 24 24 THR H H 24 8.518 8.518 8.469 0.049 19142 175 1 3 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.666 0.073 19142 176 1 3 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.737 -0.666 19142 177 1 3 . 1 1 2 2 LYS H H 2 8.713 8.713 8.240 0.473 19142 178 1 3 . 1 1 3 3 SER N N 3 119.185 119.185 119.020 0.165 19142 179 1 3 . 1 1 3 3 SER HA H 3 4.634 4.634 4.782 -0.148 19142 180 1 3 . 1 1 3 3 SER CB C 3 64.237 64.237 64.302 -0.065 19142 181 1 3 . 1 1 3 3 SER H H 3 8.714 8.714 8.351 0.363 19142 182 1 3 . 1 1 4 4 CYS N N 4 123.655 123.655 125.506 -1.851 19142 183 1 3 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.570 -0.266 19142 184 1 3 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.072 10.973 19142 185 1 3 . 1 1 4 4 CYS H H 4 8.709 8.709 8.961 -0.252 19142 186 1 3 . 1 1 5 5 GLU N N 5 122.846 122.846 122.539 0.307 19142 187 1 3 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.672 -0.142 19142 188 1 3 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.556 -0.202 19142 189 1 3 . 1 1 5 5 GLU H H 5 8.754 8.754 9.129 -0.375 19142 190 1 3 . 1 1 6 6 THR N N 6 117.072 117.072 115.254 1.818 19142 191 1 3 . 1 1 6 6 THR HA H 6 4.837 4.837 5.183 -0.346 19142 192 1 3 . 1 1 6 6 THR CB C 6 69.935 69.935 70.372 -0.437 19142 193 1 3 . 1 1 6 6 THR H H 6 8.314 8.314 8.333 -0.019 19142 194 1 3 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.013 -0.215 19142 195 1 3 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.960 0.621 19142 196 1 3 . 1 1 7 7 PHE H H 7 9.018 9.018 7.847 1.171 19142 197 1 3 . 1 1 8 8 ILE N N 8 121.914 121.914 122.540 -0.626 19142 198 1 3 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.154 -0.460 19142 199 1 3 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.334 -0.351 19142 200 1 3 . 1 1 8 8 ILE H H 8 8.542 8.542 8.437 0.105 19142 201 1 3 . 1 1 9 9 VAL N N 9 125.551 125.551 124.840 0.711 19142 202 1 3 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.594 -0.039 19142 203 1 3 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.399 -0.277 19142 204 1 3 . 1 1 9 9 VAL H H 9 8.714 8.714 8.054 0.660 19142 205 1 3 . 1 1 10 10 ALA N N 10 126.210 126.210 123.173 3.037 19142 206 1 3 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.894 -0.248 19142 207 1 3 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.745 1.172 19142 208 1 3 . 1 1 10 10 ALA H H 10 8.405 8.405 8.515 -0.110 19142 209 1 3 . 1 1 11 11 CYS N N 11 120.017 120.017 121.686 -1.669 19142 210 1 3 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.309 0.621 19142 211 1 3 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.172 15.663 19142 212 1 3 . 1 1 11 11 CYS H H 11 8.599 8.599 8.527 0.072 19142 213 1 3 . 1 1 12 12 ASP N N 12 119.719 119.719 119.519 0.200 19142 214 1 3 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.788 -0.338 19142 215 1 3 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.614 1.232 19142 216 1 3 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.243 -0.467 19142 217 1 3 . 1 1 12 12 ASP H H 12 8.649 8.649 8.040 0.609 19142 218 1 3 . 1 1 13 13 GLY N N 13 107.940 107.940 106.754 1.186 19142 219 1 3 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.422 0.838 19142 220 1 3 . 1 1 13 13 GLY H H 13 8.546 8.546 7.830 0.716 19142 221 1 3 . 1 1 14 14 GLY N N 14 108.342 108.342 106.240 2.102 19142 222 1 3 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.896 0.584 19142 223 1 3 . 1 1 14 14 GLY H H 14 8.171 8.171 8.244 -0.073 19142 224 1 3 . 1 1 15 15 LYS N N 15 120.019 120.019 120.201 -0.182 19142 225 1 3 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.262 0.116 19142 226 1 3 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.126 -0.252 19142 227 1 3 . 1 1 15 15 LYS CB C 15 33.597 33.597 33.016 0.581 19142 228 1 3 . 1 1 15 15 LYS H H 15 7.709 7.709 7.865 -0.156 19142 229 1 3 . 1 1 16 16 ALA N N 16 123.520 123.520 122.059 1.461 19142 230 1 3 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.500 0.146 19142 231 1 3 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.613 -0.308 19142 232 1 3 . 1 1 16 16 ALA H H 16 8.288 8.288 8.182 0.106 19142 233 1 3 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.678 0.192 19142 234 1 3 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.098 9.853 19142 235 1 3 . 1 1 17 17 CYS H H 17 8.916 8.916 8.382 0.534 19142 236 1 3 . 1 1 18 18 ARG N N 18 122.376 122.376 122.093 0.283 19142 237 1 3 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.820 -0.009 19142 238 1 3 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.123 1.522 19142 239 1 3 . 1 1 18 18 ARG H H 18 8.546 8.546 8.521 0.025 19142 240 1 3 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.163 0.448 19142 241 1 3 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.716 0.855 19142 242 1 3 . 1 1 19 19 GLU H H 19 8.997 8.997 7.727 1.270 19142 243 1 3 . 1 1 20 20 VAL N N 20 123.513 123.513 122.237 1.276 19142 244 1 3 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.281 0.401 19142 245 1 3 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.280 0.086 19142 246 1 3 . 1 1 20 20 VAL H H 20 8.581 8.581 8.127 0.454 19142 247 1 3 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.752 -0.030 19142 248 1 3 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.353 -0.419 19142 249 1 3 . 1 1 21 21 LYS H H 21 8.902 8.902 8.447 0.455 19142 250 1 3 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.381 0.010 19142 251 1 3 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.663 10.007 19142 252 1 3 . 1 1 22 22 CYS H H 22 8.986 8.986 8.841 0.145 19142 253 1 3 . 1 1 23 23 LYS N N 23 122.935 122.935 124.631 -1.696 19142 254 1 3 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.789 -0.214 19142 255 1 3 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.584 -0.802 19142 256 1 3 . 1 1 23 23 LYS H H 23 8.844 8.844 9.121 -0.277 19142 257 1 3 . 1 1 24 24 THR N N 24 117.783 117.783 118.297 -0.514 19142 258 1 3 . 1 1 24 24 THR HA H 24 4.494 4.494 4.325 0.169 19142 259 1 3 . 1 1 24 24 THR CA C 24 62.443 62.443 62.416 0.027 19142 260 1 3 . 1 1 24 24 THR CB C 24 69.712 69.712 69.697 0.015 19142 261 1 3 . 1 1 24 24 THR H H 24 8.518 8.518 8.336 0.182 19142 262 1 4 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.641 0.098 19142 263 1 4 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.551 -0.480 19142 264 1 4 . 1 1 2 2 LYS H H 2 8.713 8.713 8.242 0.471 19142 265 1 4 . 1 1 3 3 SER N N 3 119.185 119.185 117.941 1.244 19142 266 1 4 . 1 1 3 3 SER HA H 3 4.634 4.634 4.789 -0.155 19142 267 1 4 . 1 1 3 3 SER CB C 3 64.237 64.237 64.421 -0.184 19142 268 1 4 . 1 1 3 3 SER H H 3 8.714 8.714 8.366 0.348 19142 269 1 4 . 1 1 4 4 CYS N N 4 123.655 123.655 125.472 -1.817 19142 270 1 4 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.535 -0.231 19142 271 1 4 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.222 10.823 19142 272 1 4 . 1 1 4 4 CYS H H 4 8.709 8.709 8.942 -0.233 19142 273 1 4 . 1 1 5 5 GLU N N 5 122.846 122.846 122.966 -0.120 19142 274 1 4 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.683 -0.153 19142 275 1 4 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.538 -0.184 19142 276 1 4 . 1 1 5 5 GLU H H 5 8.754 8.754 9.153 -0.399 19142 277 1 4 . 1 1 6 6 THR N N 6 117.072 117.072 115.673 1.399 19142 278 1 4 . 1 1 6 6 THR HA H 6 4.837 4.837 5.211 -0.374 19142 279 1 4 . 1 1 6 6 THR CB C 6 69.935 69.935 70.067 -0.132 19142 280 1 4 . 1 1 6 6 THR H H 6 8.314 8.314 8.340 -0.026 19142 281 1 4 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.971 -0.173 19142 282 1 4 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.670 0.911 19142 283 1 4 . 1 1 7 7 PHE H H 7 9.018 9.018 7.987 1.031 19142 284 1 4 . 1 1 8 8 ILE N N 8 121.914 121.914 122.216 -0.302 19142 285 1 4 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.147 -0.453 19142 286 1 4 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.029 -0.046 19142 287 1 4 . 1 1 8 8 ILE H H 8 8.542 8.542 8.417 0.125 19142 288 1 4 . 1 1 9 9 VAL N N 9 125.551 125.551 123.406 2.145 19142 289 1 4 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.666 -0.111 19142 290 1 4 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.920 -0.798 19142 291 1 4 . 1 1 9 9 VAL H H 9 8.714 8.714 8.007 0.707 19142 292 1 4 . 1 1 10 10 ALA N N 10 126.210 126.210 123.327 2.883 19142 293 1 4 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.939 -0.293 19142 294 1 4 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.622 1.296 19142 295 1 4 . 1 1 10 10 ALA H H 10 8.405 8.405 8.594 -0.189 19142 296 1 4 . 1 1 11 11 CYS N N 11 120.017 120.017 121.727 -1.710 19142 297 1 4 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.315 0.615 19142 298 1 4 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.139 15.696 19142 299 1 4 . 1 1 11 11 CYS H H 11 8.599 8.599 8.527 0.072 19142 300 1 4 . 1 1 12 12 ASP N N 12 119.719 119.719 119.584 0.135 19142 301 1 4 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.796 -0.346 19142 302 1 4 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.548 1.298 19142 303 1 4 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.124 -0.348 19142 304 1 4 . 1 1 12 12 ASP H H 12 8.649 8.649 8.001 0.648 19142 305 1 4 . 1 1 13 13 GLY N N 13 107.940 107.940 107.000 0.940 19142 306 1 4 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.457 0.803 19142 307 1 4 . 1 1 13 13 GLY H H 13 8.546 8.546 7.819 0.727 19142 308 1 4 . 1 1 14 14 GLY N N 14 108.342 108.342 105.858 2.484 19142 309 1 4 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.001 0.479 19142 310 1 4 . 1 1 14 14 GLY H H 14 8.171 8.171 8.191 -0.020 19142 311 1 4 . 1 1 15 15 LYS N N 15 120.019 120.019 120.297 -0.278 19142 312 1 4 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.264 0.114 19142 313 1 4 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.186 -0.312 19142 314 1 4 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.870 0.727 19142 315 1 4 . 1 1 15 15 LYS H H 15 7.709 7.709 7.916 -0.207 19142 316 1 4 . 1 1 16 16 ALA N N 16 123.520 123.520 122.364 1.156 19142 317 1 4 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.482 0.164 19142 318 1 4 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.463 -0.158 19142 319 1 4 . 1 1 16 16 ALA H H 16 8.288 8.288 8.212 0.076 19142 320 1 4 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.685 0.185 19142 321 1 4 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.954 9.997 19142 322 1 4 . 1 1 17 17 CYS H H 17 8.916 8.916 8.242 0.674 19142 323 1 4 . 1 1 18 18 ARG N N 18 122.376 122.376 122.186 0.190 19142 324 1 4 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.829 -0.018 19142 325 1 4 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.984 1.661 19142 326 1 4 . 1 1 18 18 ARG H H 18 8.546 8.546 8.515 0.031 19142 327 1 4 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.111 0.500 19142 328 1 4 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.580 0.991 19142 329 1 4 . 1 1 19 19 GLU H H 19 8.997 8.997 7.740 1.257 19142 330 1 4 . 1 1 20 20 VAL N N 20 123.513 123.513 122.277 1.236 19142 331 1 4 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.351 0.331 19142 332 1 4 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.235 0.131 19142 333 1 4 . 1 1 20 20 VAL H H 20 8.581 8.581 8.132 0.449 19142 334 1 4 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.751 -0.029 19142 335 1 4 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.330 -0.396 19142 336 1 4 . 1 1 21 21 LYS H H 21 8.902 8.902 8.688 0.214 19142 337 1 4 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.448 -0.057 19142 338 1 4 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.518 10.152 19142 339 1 4 . 1 1 22 22 CYS H H 22 8.986 8.986 8.567 0.419 19142 340 1 4 . 1 1 23 23 LYS N N 23 122.935 122.935 123.698 -0.763 19142 341 1 4 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.759 -0.184 19142 342 1 4 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.294 -0.512 19142 343 1 4 . 1 1 23 23 LYS H H 23 8.844 8.844 9.211 -0.367 19142 344 1 4 . 1 1 24 24 THR N N 24 117.783 117.783 117.165 0.618 19142 345 1 4 . 1 1 24 24 THR HA H 24 4.494 4.494 4.481 0.013 19142 346 1 4 . 1 1 24 24 THR CA C 24 62.443 62.443 62.158 0.285 19142 347 1 4 . 1 1 24 24 THR CB C 24 69.712 69.712 69.387 0.325 19142 348 1 4 . 1 1 24 24 THR H H 24 8.518 8.518 8.405 0.113 19142 349 1 5 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.602 0.137 19142 350 1 5 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.162 -0.091 19142 351 1 5 . 1 1 2 2 LYS H H 2 8.713 8.713 8.236 0.477 19142 352 1 5 . 1 1 3 3 SER N N 3 119.185 119.185 119.128 0.057 19142 353 1 5 . 1 1 3 3 SER HA H 3 4.634 4.634 4.758 -0.124 19142 354 1 5 . 1 1 3 3 SER CB C 3 64.237 64.237 64.058 0.179 19142 355 1 5 . 1 1 3 3 SER H H 3 8.714 8.714 8.346 0.368 19142 356 1 5 . 1 1 4 4 CYS N N 4 123.655 123.655 126.403 -2.748 19142 357 1 5 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.471 -0.167 19142 358 1 5 . 1 1 4 4 CYS CB C 4 42.045 42.045 30.799 11.245 19142 359 1 5 . 1 1 4 4 CYS H H 4 8.709 8.709 8.972 -0.263 19142 360 1 5 . 1 1 5 5 GLU N N 5 122.846 122.846 122.219 0.627 19142 361 1 5 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.635 -0.105 19142 362 1 5 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.540 -0.186 19142 363 1 5 . 1 1 5 5 GLU H H 5 8.754 8.754 9.191 -0.437 19142 364 1 5 . 1 1 6 6 THR N N 6 117.072 117.072 115.396 1.676 19142 365 1 5 . 1 1 6 6 THR HA H 6 4.837 4.837 4.912 -0.075 19142 366 1 5 . 1 1 6 6 THR CB C 6 69.935 69.935 70.241 -0.306 19142 367 1 5 . 1 1 6 6 THR H H 6 8.314 8.314 8.355 -0.041 19142 368 1 5 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.919 -0.121 19142 369 1 5 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.955 0.626 19142 370 1 5 . 1 1 7 7 PHE H H 7 9.018 9.018 7.530 1.488 19142 371 1 5 . 1 1 8 8 ILE N N 8 121.914 121.914 122.127 -0.213 19142 372 1 5 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.131 -0.437 19142 373 1 5 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.457 -0.474 19142 374 1 5 . 1 1 8 8 ILE H H 8 8.542 8.542 8.412 0.130 19142 375 1 5 . 1 1 9 9 VAL N N 9 125.551 125.551 124.733 0.818 19142 376 1 5 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.591 -0.036 19142 377 1 5 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.404 -0.282 19142 378 1 5 . 1 1 9 9 VAL H H 9 8.714 8.714 8.050 0.664 19142 379 1 5 . 1 1 10 10 ALA N N 10 126.210 126.210 123.203 3.007 19142 380 1 5 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.886 -0.240 19142 381 1 5 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.746 1.171 19142 382 1 5 . 1 1 10 10 ALA H H 10 8.405 8.405 8.541 -0.136 19142 383 1 5 . 1 1 11 11 CYS N N 11 120.017 120.017 122.402 -2.385 19142 384 1 5 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.354 0.576 19142 385 1 5 . 1 1 11 11 CYS CB C 11 42.835 42.835 26.892 15.943 19142 386 1 5 . 1 1 11 11 CYS H H 11 8.599 8.599 8.439 0.160 19142 387 1 5 . 1 1 12 12 ASP N N 12 119.719 119.719 119.030 0.689 19142 388 1 5 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.784 -0.334 19142 389 1 5 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.570 1.276 19142 390 1 5 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.347 -0.571 19142 391 1 5 . 1 1 12 12 ASP H H 12 8.649 8.649 7.862 0.787 19142 392 1 5 . 1 1 13 13 GLY N N 13 107.940 107.940 107.505 0.435 19142 393 1 5 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.596 0.663 19142 394 1 5 . 1 1 13 13 GLY H H 13 8.546 8.546 7.632 0.914 19142 395 1 5 . 1 1 14 14 GLY N N 14 108.342 108.342 105.502 2.840 19142 396 1 5 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.979 0.501 19142 397 1 5 . 1 1 14 14 GLY H H 14 8.171 8.171 7.865 0.306 19142 398 1 5 . 1 1 15 15 LYS N N 15 120.019 120.019 119.708 0.311 19142 399 1 5 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.717 -0.339 19142 400 1 5 . 1 1 15 15 LYS CA C 15 55.874 55.874 54.994 0.880 19142 401 1 5 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.235 -1.638 19142 402 1 5 . 1 1 15 15 LYS H H 15 7.709 7.709 7.872 -0.163 19142 403 1 5 . 1 1 16 16 ALA N N 16 123.520 123.520 123.337 0.183 19142 404 1 5 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.554 0.092 19142 405 1 5 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.366 -0.061 19142 406 1 5 . 1 1 16 16 ALA H H 16 8.288 8.288 8.289 -0.001 19142 407 1 5 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.641 0.229 19142 408 1 5 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.923 10.028 19142 409 1 5 . 1 1 17 17 CYS H H 17 8.916 8.916 8.618 0.298 19142 410 1 5 . 1 1 18 18 ARG N N 18 122.376 122.376 122.637 -0.261 19142 411 1 5 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.784 0.027 19142 412 1 5 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.561 2.084 19142 413 1 5 . 1 1 18 18 ARG H H 18 8.546 8.546 8.581 -0.035 19142 414 1 5 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.087 0.524 19142 415 1 5 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.118 1.453 19142 416 1 5 . 1 1 19 19 GLU H H 19 8.997 8.997 7.687 1.310 19142 417 1 5 . 1 1 20 20 VAL N N 20 123.513 123.513 125.338 -1.825 19142 418 1 5 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.021 0.661 19142 419 1 5 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.782 0.584 19142 420 1 5 . 1 1 20 20 VAL H H 20 8.581 8.581 8.355 0.226 19142 421 1 5 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.816 -0.094 19142 422 1 5 . 1 1 21 21 LYS CB C 21 34.934 34.934 36.243 -1.309 19142 423 1 5 . 1 1 21 21 LYS H H 21 8.902 8.902 8.608 0.294 19142 424 1 5 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.367 0.024 19142 425 1 5 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.899 9.771 19142 426 1 5 . 1 1 22 22 CYS H H 22 8.986 8.986 8.684 0.302 19142 427 1 5 . 1 1 23 23 LYS N N 23 122.935 122.935 124.142 -1.207 19142 428 1 5 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.836 -0.261 19142 429 1 5 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.082 -0.300 19142 430 1 5 . 1 1 23 23 LYS H H 23 8.844 8.844 9.270 -0.426 19142 431 1 5 . 1 1 24 24 THR N N 24 117.783 117.783 116.063 1.720 19142 432 1 5 . 1 1 24 24 THR HA H 24 4.494 4.494 4.350 0.144 19142 433 1 5 . 1 1 24 24 THR CA C 24 62.443 62.443 62.421 0.022 19142 434 1 5 . 1 1 24 24 THR CB C 24 69.712 69.712 69.372 0.340 19142 435 1 5 . 1 1 24 24 THR H H 24 8.518 8.518 8.296 0.222 19142 436 1 6 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.639 0.100 19142 437 1 6 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.091 -0.020 19142 438 1 6 . 1 1 2 2 LYS H H 2 8.713 8.713 8.252 0.461 19142 439 1 6 . 1 1 3 3 SER N N 3 119.185 119.185 118.801 0.384 19142 440 1 6 . 1 1 3 3 SER HA H 3 4.634 4.634 4.734 -0.100 19142 441 1 6 . 1 1 3 3 SER CB C 3 64.237 64.237 65.141 -0.904 19142 442 1 6 . 1 1 3 3 SER H H 3 8.714 8.714 8.411 0.303 19142 443 1 6 . 1 1 4 4 CYS N N 4 123.655 123.655 123.068 0.587 19142 444 1 6 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.500 -0.196 19142 445 1 6 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.679 10.366 19142 446 1 6 . 1 1 4 4 CYS H H 4 8.709 8.709 8.759 -0.050 19142 447 1 6 . 1 1 5 5 GLU N N 5 122.846 122.846 122.679 0.167 19142 448 1 6 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.725 -0.195 19142 449 1 6 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.935 -0.581 19142 450 1 6 . 1 1 5 5 GLU H H 5 8.754 8.754 9.421 -0.667 19142 451 1 6 . 1 1 6 6 THR N N 6 117.072 117.072 116.270 0.802 19142 452 1 6 . 1 1 6 6 THR HA H 6 4.837 4.837 4.884 -0.047 19142 453 1 6 . 1 1 6 6 THR CB C 6 69.935 69.935 69.905 0.030 19142 454 1 6 . 1 1 6 6 THR H H 6 8.314 8.314 8.403 -0.089 19142 455 1 6 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.949 -0.151 19142 456 1 6 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.858 0.723 19142 457 1 6 . 1 1 7 7 PHE H H 7 9.018 9.018 7.675 1.343 19142 458 1 6 . 1 1 8 8 ILE N N 8 121.914 121.914 122.368 -0.454 19142 459 1 6 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.115 -0.421 19142 460 1 6 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.247 -0.264 19142 461 1 6 . 1 1 8 8 ILE H H 8 8.542 8.542 8.414 0.128 19142 462 1 6 . 1 1 9 9 VAL N N 9 125.551 125.551 124.715 0.836 19142 463 1 6 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.581 -0.026 19142 464 1 6 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.444 -0.322 19142 465 1 6 . 1 1 9 9 VAL H H 9 8.714 8.714 8.031 0.683 19142 466 1 6 . 1 1 10 10 ALA N N 10 126.210 126.210 123.190 3.020 19142 467 1 6 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.907 -0.261 19142 468 1 6 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.730 1.187 19142 469 1 6 . 1 1 10 10 ALA H H 10 8.405 8.405 8.544 -0.139 19142 470 1 6 . 1 1 11 11 CYS N N 11 120.017 120.017 122.286 -2.269 19142 471 1 6 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.345 0.585 19142 472 1 6 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.014 15.821 19142 473 1 6 . 1 1 11 11 CYS H H 11 8.599 8.599 8.441 0.158 19142 474 1 6 . 1 1 12 12 ASP N N 12 119.719 119.719 119.205 0.514 19142 475 1 6 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.790 -0.340 19142 476 1 6 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.832 1.014 19142 477 1 6 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.631 -0.855 19142 478 1 6 . 1 1 12 12 ASP H H 12 8.649 8.649 7.932 0.717 19142 479 1 6 . 1 1 13 13 GLY N N 13 107.940 107.940 107.111 0.829 19142 480 1 6 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.574 0.686 19142 481 1 6 . 1 1 13 13 GLY H H 13 8.546 8.546 7.667 0.879 19142 482 1 6 . 1 1 14 14 GLY N N 14 108.342 108.342 105.665 2.677 19142 483 1 6 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.912 0.568 19142 484 1 6 . 1 1 14 14 GLY H H 14 8.171 8.171 8.009 0.162 19142 485 1 6 . 1 1 15 15 LYS N N 15 120.019 120.019 119.501 0.518 19142 486 1 6 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.667 -0.289 19142 487 1 6 . 1 1 15 15 LYS CA C 15 55.874 55.874 54.862 1.012 19142 488 1 6 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.230 -1.633 19142 489 1 6 . 1 1 15 15 LYS H H 15 7.709 7.709 7.866 -0.157 19142 490 1 6 . 1 1 16 16 ALA N N 16 123.520 123.520 123.324 0.196 19142 491 1 6 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.579 0.067 19142 492 1 6 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.332 -0.027 19142 493 1 6 . 1 1 16 16 ALA H H 16 8.288 8.288 8.269 0.019 19142 494 1 6 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.643 0.227 19142 495 1 6 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.926 10.025 19142 496 1 6 . 1 1 17 17 CYS H H 17 8.916 8.916 8.624 0.292 19142 497 1 6 . 1 1 18 18 ARG N N 18 122.376 122.376 122.408 -0.032 19142 498 1 6 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.692 0.119 19142 499 1 6 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.676 1.969 19142 500 1 6 . 1 1 18 18 ARG H H 18 8.546 8.546 8.623 -0.077 19142 501 1 6 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.064 0.547 19142 502 1 6 . 1 1 19 19 GLU CB C 19 31.571 31.571 29.998 1.573 19142 503 1 6 . 1 1 19 19 GLU H H 19 8.997 8.997 7.781 1.216 19142 504 1 6 . 1 1 20 20 VAL N N 20 123.513 123.513 124.894 -1.381 19142 505 1 6 . 1 1 20 20 VAL HA H 20 4.682 4.682 3.958 0.724 19142 506 1 6 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.430 0.936 19142 507 1 6 . 1 1 20 20 VAL H H 20 8.581 8.581 8.247 0.334 19142 508 1 6 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.802 -0.080 19142 509 1 6 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.947 -1.013 19142 510 1 6 . 1 1 21 21 LYS H H 21 8.902 8.902 8.821 0.081 19142 511 1 6 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.483 -0.092 19142 512 1 6 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.914 9.756 19142 513 1 6 . 1 1 22 22 CYS H H 22 8.986 8.986 8.836 0.150 19142 514 1 6 . 1 1 23 23 LYS N N 23 122.935 122.935 123.457 -0.522 19142 515 1 6 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.752 -0.177 19142 516 1 6 . 1 1 23 23 LYS CB C 23 34.782 34.782 34.745 0.037 19142 517 1 6 . 1 1 23 23 LYS H H 23 8.844 8.844 9.242 -0.398 19142 518 1 6 . 1 1 24 24 THR N N 24 117.783 117.783 117.717 0.066 19142 519 1 6 . 1 1 24 24 THR HA H 24 4.494 4.494 4.354 0.140 19142 520 1 6 . 1 1 24 24 THR CA C 24 62.443 62.443 62.295 0.148 19142 521 1 6 . 1 1 24 24 THR CB C 24 69.712 69.712 69.386 0.326 19142 522 1 6 . 1 1 24 24 THR H H 24 8.518 8.518 8.434 0.084 19142 523 1 7 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.625 0.114 19142 524 1 7 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.488 -0.417 19142 525 1 7 . 1 1 2 2 LYS H H 2 8.713 8.713 8.239 0.474 19142 526 1 7 . 1 1 3 3 SER N N 3 119.185 119.185 119.020 0.165 19142 527 1 7 . 1 1 3 3 SER HA H 3 4.634 4.634 4.738 -0.104 19142 528 1 7 . 1 1 3 3 SER CB C 3 64.237 64.237 64.062 0.175 19142 529 1 7 . 1 1 3 3 SER H H 3 8.714 8.714 8.351 0.363 19142 530 1 7 . 1 1 4 4 CYS N N 4 123.655 123.655 124.675 -1.020 19142 531 1 7 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.546 -0.242 19142 532 1 7 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.854 10.191 19142 533 1 7 . 1 1 4 4 CYS H H 4 8.709 8.709 8.843 -0.134 19142 534 1 7 . 1 1 5 5 GLU N N 5 122.846 122.846 122.819 0.027 19142 535 1 7 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.677 -0.147 19142 536 1 7 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.568 -0.214 19142 537 1 7 . 1 1 5 5 GLU H H 5 8.754 8.754 9.187 -0.433 19142 538 1 7 . 1 1 6 6 THR N N 6 117.072 117.072 115.750 1.322 19142 539 1 7 . 1 1 6 6 THR HA H 6 4.837 4.837 5.224 -0.387 19142 540 1 7 . 1 1 6 6 THR CB C 6 69.935 69.935 70.091 -0.156 19142 541 1 7 . 1 1 6 6 THR H H 6 8.314 8.314 8.337 -0.023 19142 542 1 7 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.950 -0.152 19142 543 1 7 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.825 0.756 19142 544 1 7 . 1 1 7 7 PHE H H 7 9.018 9.018 7.852 1.166 19142 545 1 7 . 1 1 8 8 ILE N N 8 121.914 121.914 122.627 -0.713 19142 546 1 7 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.197 -0.503 19142 547 1 7 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.442 -0.459 19142 548 1 7 . 1 1 8 8 ILE H H 8 8.542 8.542 8.418 0.124 19142 549 1 7 . 1 1 9 9 VAL N N 9 125.551 125.551 123.784 1.767 19142 550 1 7 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.706 -0.151 19142 551 1 7 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.838 -0.716 19142 552 1 7 . 1 1 9 9 VAL H H 9 8.714 8.714 8.101 0.613 19142 553 1 7 . 1 1 10 10 ALA N N 10 126.210 126.210 123.786 2.424 19142 554 1 7 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.945 -0.299 19142 555 1 7 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.755 1.162 19142 556 1 7 . 1 1 10 10 ALA H H 10 8.405 8.405 8.567 -0.162 19142 557 1 7 . 1 1 11 11 CYS N N 11 120.017 120.017 121.796 -1.779 19142 558 1 7 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.315 0.615 19142 559 1 7 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.103 15.732 19142 560 1 7 . 1 1 11 11 CYS H H 11 8.599 8.599 8.486 0.113 19142 561 1 7 . 1 1 12 12 ASP N N 12 119.719 119.719 119.683 0.036 19142 562 1 7 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.756 -0.306 19142 563 1 7 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.915 0.931 19142 564 1 7 . 1 1 12 12 ASP CB C 12 39.776 39.776 39.890 -0.114 19142 565 1 7 . 1 1 12 12 ASP H H 12 8.649 8.649 8.037 0.612 19142 566 1 7 . 1 1 13 13 GLY N N 13 107.940 107.940 107.878 0.062 19142 567 1 7 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.495 0.765 19142 568 1 7 . 1 1 13 13 GLY H H 13 8.546 8.546 7.801 0.745 19142 569 1 7 . 1 1 14 14 GLY N N 14 108.342 108.342 105.757 2.585 19142 570 1 7 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.026 0.454 19142 571 1 7 . 1 1 14 14 GLY H H 14 8.171 8.171 8.187 -0.016 19142 572 1 7 . 1 1 15 15 LYS N N 15 120.019 120.019 120.309 -0.290 19142 573 1 7 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.263 0.115 19142 574 1 7 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.066 -0.192 19142 575 1 7 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.812 0.784 19142 576 1 7 . 1 1 15 15 LYS H H 15 7.709 7.709 7.911 -0.202 19142 577 1 7 . 1 1 16 16 ALA N N 16 123.520 123.520 122.414 1.106 19142 578 1 7 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.478 0.168 19142 579 1 7 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.356 -0.051 19142 580 1 7 . 1 1 16 16 ALA H H 16 8.288 8.288 8.217 0.071 19142 581 1 7 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.686 0.184 19142 582 1 7 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.878 10.073 19142 583 1 7 . 1 1 17 17 CYS H H 17 8.916 8.916 8.219 0.697 19142 584 1 7 . 1 1 18 18 ARG N N 18 122.376 122.376 122.230 0.146 19142 585 1 7 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.856 -0.045 19142 586 1 7 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.040 1.605 19142 587 1 7 . 1 1 18 18 ARG H H 18 8.546 8.546 8.510 0.036 19142 588 1 7 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.099 0.512 19142 589 1 7 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.588 0.983 19142 590 1 7 . 1 1 19 19 GLU H H 19 8.997 8.997 7.783 1.214 19142 591 1 7 . 1 1 20 20 VAL N N 20 123.513 123.513 121.979 1.534 19142 592 1 7 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.403 0.279 19142 593 1 7 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.331 0.035 19142 594 1 7 . 1 1 20 20 VAL H H 20 8.581 8.581 8.109 0.472 19142 595 1 7 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.739 -0.017 19142 596 1 7 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.291 -0.357 19142 597 1 7 . 1 1 21 21 LYS H H 21 8.902 8.902 8.627 0.275 19142 598 1 7 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.603 -0.212 19142 599 1 7 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.618 9.052 19142 600 1 7 . 1 1 22 22 CYS H H 22 8.986 8.986 8.704 0.282 19142 601 1 7 . 1 1 23 23 LYS N N 23 122.935 122.935 122.760 0.175 19142 602 1 7 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.732 -0.157 19142 603 1 7 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.143 -0.361 19142 604 1 7 . 1 1 23 23 LYS H H 23 8.844 8.844 9.325 -0.481 19142 605 1 7 . 1 1 24 24 THR N N 24 117.783 117.783 120.006 -2.223 19142 606 1 7 . 1 1 24 24 THR HA H 24 4.494 4.494 4.339 0.155 19142 607 1 7 . 1 1 24 24 THR CA C 24 62.443 62.443 63.561 -1.118 19142 608 1 7 . 1 1 24 24 THR CB C 24 69.712 69.712 68.733 0.979 19142 609 1 7 . 1 1 24 24 THR H H 24 8.518 8.518 8.514 0.004 19142 610 1 8 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.544 0.195 19142 611 1 8 . 1 1 2 2 LYS CB C 2 34.071 34.071 33.661 0.410 19142 612 1 8 . 1 1 2 2 LYS H H 2 8.713 8.713 8.239 0.474 19142 613 1 8 . 1 1 3 3 SER N N 3 119.185 119.185 118.393 0.792 19142 614 1 8 . 1 1 3 3 SER HA H 3 4.634 4.634 4.775 -0.141 19142 615 1 8 . 1 1 3 3 SER CB C 3 64.237 64.237 64.265 -0.028 19142 616 1 8 . 1 1 3 3 SER H H 3 8.714 8.714 8.347 0.367 19142 617 1 8 . 1 1 4 4 CYS N N 4 123.655 123.655 124.776 -1.121 19142 618 1 8 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.583 -0.279 19142 619 1 8 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.370 10.675 19142 620 1 8 . 1 1 4 4 CYS H H 4 8.709 8.709 8.934 -0.225 19142 621 1 8 . 1 1 5 5 GLU N N 5 122.846 122.846 122.870 -0.024 19142 622 1 8 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.686 -0.156 19142 623 1 8 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.494 -0.140 19142 624 1 8 . 1 1 5 5 GLU H H 5 8.754 8.754 9.163 -0.409 19142 625 1 8 . 1 1 6 6 THR N N 6 117.072 117.072 115.221 1.851 19142 626 1 8 . 1 1 6 6 THR HA H 6 4.837 4.837 5.210 -0.373 19142 627 1 8 . 1 1 6 6 THR CB C 6 69.935 69.935 70.242 -0.307 19142 628 1 8 . 1 1 6 6 THR H H 6 8.314 8.314 8.311 0.003 19142 629 1 8 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.000 -0.202 19142 630 1 8 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.453 1.128 19142 631 1 8 . 1 1 7 7 PHE H H 7 9.018 9.018 7.876 1.142 19142 632 1 8 . 1 1 8 8 ILE N N 8 121.914 121.914 122.284 -0.370 19142 633 1 8 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.130 -0.436 19142 634 1 8 . 1 1 8 8 ILE CB C 8 37.983 37.983 37.986 -0.003 19142 635 1 8 . 1 1 8 8 ILE H H 8 8.542 8.542 8.423 0.119 19142 636 1 8 . 1 1 9 9 VAL N N 9 125.551 125.551 123.448 2.103 19142 637 1 8 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.667 -0.112 19142 638 1 8 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.908 -0.786 19142 639 1 8 . 1 1 9 9 VAL H H 9 8.714 8.714 8.012 0.702 19142 640 1 8 . 1 1 10 10 ALA N N 10 126.210 126.210 123.347 2.863 19142 641 1 8 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.922 -0.276 19142 642 1 8 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.613 1.304 19142 643 1 8 . 1 1 10 10 ALA H H 10 8.405 8.405 8.591 -0.186 19142 644 1 8 . 1 1 11 11 CYS N N 11 120.017 120.017 121.606 -1.589 19142 645 1 8 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.315 0.615 19142 646 1 8 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.158 15.677 19142 647 1 8 . 1 1 11 11 CYS H H 11 8.599 8.599 8.468 0.131 19142 648 1 8 . 1 1 12 12 ASP N N 12 119.719 119.719 118.945 0.774 19142 649 1 8 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.765 -0.315 19142 650 1 8 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.800 1.046 19142 651 1 8 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.379 -0.603 19142 652 1 8 . 1 1 12 12 ASP H H 12 8.649 8.649 8.351 0.298 19142 653 1 8 . 1 1 13 13 GLY N N 13 107.940 107.940 107.874 0.066 19142 654 1 8 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.642 0.618 19142 655 1 8 . 1 1 13 13 GLY H H 13 8.546 8.546 7.699 0.847 19142 656 1 8 . 1 1 14 14 GLY N N 14 108.342 108.342 106.243 2.099 19142 657 1 8 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.903 0.577 19142 658 1 8 . 1 1 14 14 GLY H H 14 8.171 8.171 8.244 -0.073 19142 659 1 8 . 1 1 15 15 LYS N N 15 120.019 120.019 120.200 -0.181 19142 660 1 8 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.261 0.117 19142 661 1 8 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.136 -0.262 19142 662 1 8 . 1 1 15 15 LYS CB C 15 33.597 33.597 33.015 0.582 19142 663 1 8 . 1 1 15 15 LYS H H 15 7.709 7.709 7.866 -0.157 19142 664 1 8 . 1 1 16 16 ALA N N 16 123.520 123.520 122.104 1.416 19142 665 1 8 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.504 0.142 19142 666 1 8 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.582 -0.277 19142 667 1 8 . 1 1 16 16 ALA H H 16 8.288 8.288 8.187 0.101 19142 668 1 8 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.683 0.187 19142 669 1 8 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.073 9.878 19142 670 1 8 . 1 1 17 17 CYS H H 17 8.916 8.916 8.342 0.574 19142 671 1 8 . 1 1 18 18 ARG N N 18 122.376 122.376 122.429 -0.053 19142 672 1 8 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.849 -0.038 19142 673 1 8 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.747 1.898 19142 674 1 8 . 1 1 18 18 ARG H H 18 8.546 8.546 8.478 0.068 19142 675 1 8 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.102 0.509 19142 676 1 8 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.559 1.012 19142 677 1 8 . 1 1 19 19 GLU H H 19 8.997 8.997 7.706 1.291 19142 678 1 8 . 1 1 20 20 VAL N N 20 123.513 123.513 122.274 1.239 19142 679 1 8 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.371 0.311 19142 680 1 8 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.276 0.090 19142 681 1 8 . 1 1 20 20 VAL H H 20 8.581 8.581 8.142 0.439 19142 682 1 8 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.746 -0.024 19142 683 1 8 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.222 -0.288 19142 684 1 8 . 1 1 21 21 LYS H H 21 8.902 8.902 8.666 0.236 19142 685 1 8 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.362 0.029 19142 686 1 8 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.195 10.475 19142 687 1 8 . 1 1 22 22 CYS H H 22 8.986 8.986 8.714 0.272 19142 688 1 8 . 1 1 23 23 LYS N N 23 122.935 122.935 124.368 -1.433 19142 689 1 8 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.758 -0.183 19142 690 1 8 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.331 -0.549 19142 691 1 8 . 1 1 23 23 LYS H H 23 8.844 8.844 9.179 -0.335 19142 692 1 8 . 1 1 24 24 THR N N 24 117.783 117.783 116.947 0.836 19142 693 1 8 . 1 1 24 24 THR HA H 24 4.494 4.494 4.598 -0.104 19142 694 1 8 . 1 1 24 24 THR CA C 24 62.443 62.443 61.582 0.861 19142 695 1 8 . 1 1 24 24 THR CB C 24 69.712 69.712 69.240 0.472 19142 696 1 8 . 1 1 24 24 THR H H 24 8.518 8.518 8.391 0.127 19142 697 1 9 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.732 0.007 19142 698 1 9 . 1 1 2 2 LYS CB C 2 34.071 34.071 35.000 -0.929 19142 699 1 9 . 1 1 2 2 LYS H H 2 8.713 8.713 8.222 0.491 19142 700 1 9 . 1 1 3 3 SER N N 3 119.185 119.185 119.175 0.010 19142 701 1 9 . 1 1 3 3 SER HA H 3 4.634 4.634 4.787 -0.153 19142 702 1 9 . 1 1 3 3 SER CB C 3 64.237 64.237 64.365 -0.128 19142 703 1 9 . 1 1 3 3 SER H H 3 8.714 8.714 8.416 0.298 19142 704 1 9 . 1 1 4 4 CYS N N 4 123.655 123.655 124.218 -0.563 19142 705 1 9 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.436 -0.132 19142 706 1 9 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.398 10.647 19142 707 1 9 . 1 1 4 4 CYS H H 4 8.709 8.709 8.888 -0.179 19142 708 1 9 . 1 1 5 5 GLU N N 5 122.846 122.846 121.475 1.371 19142 709 1 9 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.628 -0.098 19142 710 1 9 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.387 -0.033 19142 711 1 9 . 1 1 5 5 GLU H H 5 8.754 8.754 9.056 -0.302 19142 712 1 9 . 1 1 6 6 THR N N 6 117.072 117.072 115.578 1.494 19142 713 1 9 . 1 1 6 6 THR HA H 6 4.837 4.837 5.226 -0.389 19142 714 1 9 . 1 1 6 6 THR CB C 6 69.935 69.935 70.351 -0.416 19142 715 1 9 . 1 1 6 6 THR H H 6 8.314 8.314 8.376 -0.062 19142 716 1 9 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.987 -0.189 19142 717 1 9 . 1 1 7 7 PHE CB C 7 41.581 41.581 41.278 0.303 19142 718 1 9 . 1 1 7 7 PHE H H 7 9.018 9.018 7.846 1.172 19142 719 1 9 . 1 1 8 8 ILE N N 8 121.914 121.914 122.201 -0.287 19142 720 1 9 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.147 -0.453 19142 721 1 9 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.521 -0.538 19142 722 1 9 . 1 1 8 8 ILE H H 8 8.542 8.542 8.395 0.147 19142 723 1 9 . 1 1 9 9 VAL N N 9 125.551 125.551 124.015 1.536 19142 724 1 9 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.653 -0.098 19142 725 1 9 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.762 -0.640 19142 726 1 9 . 1 1 9 9 VAL H H 9 8.714 8.714 8.088 0.626 19142 727 1 9 . 1 1 10 10 ALA N N 10 126.210 126.210 123.837 2.373 19142 728 1 9 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.832 -0.186 19142 729 1 9 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.663 1.254 19142 730 1 9 . 1 1 10 10 ALA H H 10 8.405 8.405 8.601 -0.196 19142 731 1 9 . 1 1 11 11 CYS N N 11 120.017 120.017 122.295 -2.278 19142 732 1 9 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.351 0.579 19142 733 1 9 . 1 1 11 11 CYS CB C 11 42.835 42.835 26.970 15.865 19142 734 1 9 . 1 1 11 11 CYS H H 11 8.599 8.599 8.462 0.137 19142 735 1 9 . 1 1 12 12 ASP N N 12 119.719 119.719 118.924 0.795 19142 736 1 9 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.759 -0.309 19142 737 1 9 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.157 0.689 19142 738 1 9 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.640 -0.864 19142 739 1 9 . 1 1 12 12 ASP H H 12 8.649 8.649 7.948 0.701 19142 740 1 9 . 1 1 13 13 GLY N N 13 107.940 107.940 108.701 -0.761 19142 741 1 9 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.701 0.559 19142 742 1 9 . 1 1 13 13 GLY H H 13 8.546 8.546 7.633 0.913 19142 743 1 9 . 1 1 14 14 GLY N N 14 108.342 108.342 105.774 2.568 19142 744 1 9 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.933 0.547 19142 745 1 9 . 1 1 14 14 GLY H H 14 8.171 8.171 8.039 0.132 19142 746 1 9 . 1 1 15 15 LYS N N 15 120.019 120.019 119.590 0.429 19142 747 1 9 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.665 -0.287 19142 748 1 9 . 1 1 15 15 LYS CA C 15 55.874 55.874 54.908 0.966 19142 749 1 9 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.087 -1.490 19142 750 1 9 . 1 1 15 15 LYS H H 15 7.709 7.709 7.839 -0.130 19142 751 1 9 . 1 1 16 16 ALA N N 16 123.520 123.520 123.619 -0.099 19142 752 1 9 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.571 0.075 19142 753 1 9 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.252 0.053 19142 754 1 9 . 1 1 16 16 ALA H H 16 8.288 8.288 8.273 0.015 19142 755 1 9 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.679 0.191 19142 756 1 9 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.002 9.949 19142 757 1 9 . 1 1 17 17 CYS H H 17 8.916 8.916 8.326 0.590 19142 758 1 9 . 1 1 18 18 ARG N N 18 122.376 122.376 122.711 -0.335 19142 759 1 9 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.787 0.024 19142 760 1 9 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.425 2.220 19142 761 1 9 . 1 1 18 18 ARG H H 18 8.546 8.546 8.571 -0.025 19142 762 1 9 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.070 0.541 19142 763 1 9 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.277 1.294 19142 764 1 9 . 1 1 19 19 GLU H H 19 8.997 8.997 7.660 1.337 19142 765 1 9 . 1 1 20 20 VAL N N 20 123.513 123.513 124.485 -0.972 19142 766 1 9 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.334 0.348 19142 767 1 9 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.101 0.265 19142 768 1 9 . 1 1 20 20 VAL H H 20 8.581 8.581 8.302 0.279 19142 769 1 9 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.855 -0.133 19142 770 1 9 . 1 1 21 21 LYS CB C 21 34.934 34.934 36.074 -1.140 19142 771 1 9 . 1 1 21 21 LYS H H 21 8.902 8.902 8.819 0.083 19142 772 1 9 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.518 -0.127 19142 773 1 9 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.332 9.338 19142 774 1 9 . 1 1 22 22 CYS H H 22 8.986 8.986 8.544 0.442 19142 775 1 9 . 1 1 23 23 LYS N N 23 122.935 122.935 123.130 -0.195 19142 776 1 9 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.721 -0.146 19142 777 1 9 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.246 -0.464 19142 778 1 9 . 1 1 23 23 LYS H H 23 8.844 8.844 9.192 -0.348 19142 779 1 9 . 1 1 24 24 THR N N 24 117.783 117.783 115.780 2.003 19142 780 1 9 . 1 1 24 24 THR HA H 24 4.494 4.494 4.401 0.093 19142 781 1 9 . 1 1 24 24 THR CA C 24 62.443 62.443 61.926 0.517 19142 782 1 9 . 1 1 24 24 THR CB C 24 69.712 69.712 69.290 0.423 19142 783 1 9 . 1 1 24 24 THR H H 24 8.518 8.518 8.378 0.140 19142 784 1 10 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.715 0.024 19142 785 1 10 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.514 -0.443 19142 786 1 10 . 1 1 2 2 LYS H H 2 8.713 8.713 8.221 0.492 19142 787 1 10 . 1 1 3 3 SER N N 3 119.185 119.185 117.085 2.100 19142 788 1 10 . 1 1 3 3 SER HA H 3 4.634 4.634 4.797 -0.163 19142 789 1 10 . 1 1 3 3 SER CB C 3 64.237 64.237 64.949 -0.712 19142 790 1 10 . 1 1 3 3 SER H H 3 8.714 8.714 8.411 0.303 19142 791 1 10 . 1 1 4 4 CYS N N 4 123.655 123.655 125.240 -1.585 19142 792 1 10 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.557 -0.253 19142 793 1 10 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.394 10.651 19142 794 1 10 . 1 1 4 4 CYS H H 4 8.709 8.709 8.908 -0.199 19142 795 1 10 . 1 1 5 5 GLU N N 5 122.846 122.846 123.317 -0.471 19142 796 1 10 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.724 -0.194 19142 797 1 10 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.674 -0.320 19142 798 1 10 . 1 1 5 5 GLU H H 5 8.754 8.754 9.153 -0.399 19142 799 1 10 . 1 1 6 6 THR N N 6 117.072 117.072 115.770 1.302 19142 800 1 10 . 1 1 6 6 THR HA H 6 4.837 4.837 5.160 -0.323 19142 801 1 10 . 1 1 6 6 THR CB C 6 69.935 69.935 70.040 -0.105 19142 802 1 10 . 1 1 6 6 THR H H 6 8.314 8.314 8.344 -0.030 19142 803 1 10 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.959 -0.161 19142 804 1 10 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.830 0.751 19142 805 1 10 . 1 1 7 7 PHE H H 7 9.018 9.018 7.825 1.193 19142 806 1 10 . 1 1 8 8 ILE N N 8 121.914 121.914 122.576 -0.662 19142 807 1 10 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.176 -0.482 19142 808 1 10 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.332 -0.349 19142 809 1 10 . 1 1 8 8 ILE H H 8 8.542 8.542 8.434 0.108 19142 810 1 10 . 1 1 9 9 VAL N N 9 125.551 125.551 124.857 0.694 19142 811 1 10 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.593 -0.038 19142 812 1 10 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.410 -0.288 19142 813 1 10 . 1 1 9 9 VAL H H 9 8.714 8.714 8.050 0.664 19142 814 1 10 . 1 1 10 10 ALA N N 10 126.210 126.210 123.153 3.057 19142 815 1 10 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.930 -0.284 19142 816 1 10 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.749 1.168 19142 817 1 10 . 1 1 10 10 ALA H H 10 8.405 8.405 8.510 -0.105 19142 818 1 10 . 1 1 11 11 CYS N N 11 120.017 120.017 121.678 -1.661 19142 819 1 10 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.309 0.621 19142 820 1 10 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.130 15.705 19142 821 1 10 . 1 1 11 11 CYS H H 11 8.599 8.599 8.471 0.128 19142 822 1 10 . 1 1 12 12 ASP N N 12 119.719 119.719 119.604 0.115 19142 823 1 10 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.730 -0.280 19142 824 1 10 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.079 0.767 19142 825 1 10 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.062 -0.286 19142 826 1 10 . 1 1 12 12 ASP H H 12 8.649 8.649 8.086 0.563 19142 827 1 10 . 1 1 13 13 GLY N N 13 107.940 107.940 108.029 -0.089 19142 828 1 10 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.482 0.778 19142 829 1 10 . 1 1 13 13 GLY H H 13 8.546 8.546 7.819 0.727 19142 830 1 10 . 1 1 14 14 GLY N N 14 108.342 108.342 106.216 2.126 19142 831 1 10 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.907 0.573 19142 832 1 10 . 1 1 14 14 GLY H H 14 8.171 8.171 8.245 -0.074 19142 833 1 10 . 1 1 15 15 LYS N N 15 120.019 120.019 120.183 -0.164 19142 834 1 10 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.261 0.117 19142 835 1 10 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.136 -0.262 19142 836 1 10 . 1 1 15 15 LYS CB C 15 33.597 33.597 33.018 0.579 19142 837 1 10 . 1 1 15 15 LYS H H 15 7.709 7.709 7.863 -0.154 19142 838 1 10 . 1 1 16 16 ALA N N 16 123.520 123.520 122.180 1.340 19142 839 1 10 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.511 0.135 19142 840 1 10 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.522 -0.217 19142 841 1 10 . 1 1 16 16 ALA H H 16 8.288 8.288 8.196 0.092 19142 842 1 10 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.689 0.181 19142 843 1 10 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.047 9.904 19142 844 1 10 . 1 1 17 17 CYS H H 17 8.916 8.916 8.276 0.640 19142 845 1 10 . 1 1 18 18 ARG N N 18 122.376 122.376 122.022 0.354 19142 846 1 10 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.854 -0.043 19142 847 1 10 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.068 1.577 19142 848 1 10 . 1 1 18 18 ARG H H 18 8.546 8.546 8.505 0.041 19142 849 1 10 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.112 0.499 19142 850 1 10 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.577 0.994 19142 851 1 10 . 1 1 19 19 GLU H H 19 8.997 8.997 7.803 1.194 19142 852 1 10 . 1 1 20 20 VAL N N 20 123.513 123.513 121.852 1.661 19142 853 1 10 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.392 0.290 19142 854 1 10 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.297 0.069 19142 855 1 10 . 1 1 20 20 VAL H H 20 8.581 8.581 8.142 0.439 19142 856 1 10 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.760 -0.038 19142 857 1 10 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.024 -0.090 19142 858 1 10 . 1 1 21 21 LYS H H 21 8.902 8.902 8.582 0.320 19142 859 1 10 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.514 -0.123 19142 860 1 10 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.333 9.337 19142 861 1 10 . 1 1 22 22 CYS H H 22 8.986 8.986 8.647 0.339 19142 862 1 10 . 1 1 23 23 LYS N N 23 122.935 122.935 123.558 -0.623 19142 863 1 10 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.753 -0.178 19142 864 1 10 . 1 1 23 23 LYS CB C 23 34.782 34.782 34.469 0.313 19142 865 1 10 . 1 1 23 23 LYS H H 23 8.844 8.844 9.234 -0.390 19142 866 1 10 . 1 1 24 24 THR N N 24 117.783 117.783 116.861 0.922 19142 867 1 10 . 1 1 24 24 THR HA H 24 4.494 4.494 4.495 -0.001 19142 868 1 10 . 1 1 24 24 THR CA C 24 62.443 62.443 62.112 0.331 19142 869 1 10 . 1 1 24 24 THR CB C 24 69.712 69.712 69.248 0.464 19142 870 1 10 . 1 1 24 24 THR H H 24 8.518 8.518 8.439 0.079 19142 871 1 11 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.636 0.103 19142 872 1 11 . 1 1 2 2 LYS CB C 2 34.071 34.071 33.958 0.113 19142 873 1 11 . 1 1 2 2 LYS H H 2 8.713 8.713 8.301 0.412 19142 874 1 11 . 1 1 3 3 SER N N 3 119.185 119.185 120.731 -1.546 19142 875 1 11 . 1 1 3 3 SER HA H 3 4.634 4.634 4.721 -0.087 19142 876 1 11 . 1 1 3 3 SER CB C 3 64.237 64.237 64.546 -0.309 19142 877 1 11 . 1 1 3 3 SER H H 3 8.714 8.714 8.376 0.338 19142 878 1 11 . 1 1 4 4 CYS N N 4 123.655 123.655 121.825 1.830 19142 879 1 11 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.504 -0.200 19142 880 1 11 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.841 10.204 19142 881 1 11 . 1 1 4 4 CYS H H 4 8.709 8.709 8.821 -0.112 19142 882 1 11 . 1 1 5 5 GLU N N 5 122.846 122.846 122.933 -0.087 19142 883 1 11 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.742 -0.212 19142 884 1 11 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.910 -0.556 19142 885 1 11 . 1 1 5 5 GLU H H 5 8.754 8.754 9.408 -0.654 19142 886 1 11 . 1 1 6 6 THR N N 6 117.072 117.072 116.295 0.777 19142 887 1 11 . 1 1 6 6 THR HA H 6 4.837 4.837 5.055 -0.218 19142 888 1 11 . 1 1 6 6 THR CB C 6 69.935 69.935 70.031 -0.096 19142 889 1 11 . 1 1 6 6 THR H H 6 8.314 8.314 8.386 -0.072 19142 890 1 11 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.950 -0.152 19142 891 1 11 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.661 0.920 19142 892 1 11 . 1 1 7 7 PHE H H 7 9.018 9.018 7.705 1.313 19142 893 1 11 . 1 1 8 8 ILE N N 8 121.914 121.914 122.523 -0.609 19142 894 1 11 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.122 -0.428 19142 895 1 11 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.277 -0.294 19142 896 1 11 . 1 1 8 8 ILE H H 8 8.542 8.542 8.398 0.144 19142 897 1 11 . 1 1 9 9 VAL N N 9 125.551 125.551 124.136 1.415 19142 898 1 11 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.643 -0.088 19142 899 1 11 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.722 -0.600 19142 900 1 11 . 1 1 9 9 VAL H H 9 8.714 8.714 8.077 0.637 19142 901 1 11 . 1 1 10 10 ALA N N 10 126.210 126.210 123.630 2.580 19142 902 1 11 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.789 -0.143 19142 903 1 11 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.549 1.368 19142 904 1 11 . 1 1 10 10 ALA H H 10 8.405 8.405 8.519 -0.114 19142 905 1 11 . 1 1 11 11 CYS N N 11 120.017 120.017 121.394 -1.377 19142 906 1 11 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.308 0.622 19142 907 1 11 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.149 15.686 19142 908 1 11 . 1 1 11 11 CYS H H 11 8.599 8.599 8.363 0.236 19142 909 1 11 . 1 1 12 12 ASP N N 12 119.719 119.719 119.139 0.580 19142 910 1 11 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.818 -0.368 19142 911 1 11 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.886 0.960 19142 912 1 11 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.451 -0.675 19142 913 1 11 . 1 1 12 12 ASP H H 12 8.649 8.649 7.921 0.728 19142 914 1 11 . 1 1 13 13 GLY N N 13 107.940 107.940 107.221 0.719 19142 915 1 11 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.223 1.037 19142 916 1 11 . 1 1 13 13 GLY H H 13 8.546 8.546 7.566 0.980 19142 917 1 11 . 1 1 14 14 GLY N N 14 108.342 108.342 105.763 2.579 19142 918 1 11 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.180 0.300 19142 919 1 11 . 1 1 14 14 GLY H H 14 8.171 8.171 8.127 0.044 19142 920 1 11 . 1 1 15 15 LYS N N 15 120.019 120.019 119.754 0.265 19142 921 1 11 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.723 -0.345 19142 922 1 11 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.037 0.837 19142 923 1 11 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.070 -1.473 19142 924 1 11 . 1 1 15 15 LYS H H 15 7.709 7.709 7.846 -0.137 19142 925 1 11 . 1 1 16 16 ALA N N 16 123.520 123.520 123.553 -0.033 19142 926 1 11 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.567 0.079 19142 927 1 11 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.491 -0.186 19142 928 1 11 . 1 1 16 16 ALA H H 16 8.288 8.288 8.287 0.001 19142 929 1 11 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.683 0.187 19142 930 1 11 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.014 9.937 19142 931 1 11 . 1 1 17 17 CYS H H 17 8.916 8.916 8.360 0.556 19142 932 1 11 . 1 1 18 18 ARG N N 18 122.376 122.376 122.342 0.034 19142 933 1 11 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.691 0.120 19142 934 1 11 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.805 1.840 19142 935 1 11 . 1 1 18 18 ARG H H 18 8.546 8.546 8.616 -0.070 19142 936 1 11 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.011 0.600 19142 937 1 11 . 1 1 19 19 GLU CB C 19 31.571 31.571 29.991 1.580 19142 938 1 11 . 1 1 19 19 GLU H H 19 8.997 8.997 7.843 1.154 19142 939 1 11 . 1 1 20 20 VAL N N 20 123.513 123.513 124.775 -1.262 19142 940 1 11 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.158 0.524 19142 941 1 11 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.477 0.889 19142 942 1 11 . 1 1 20 20 VAL H H 20 8.581 8.581 8.277 0.304 19142 943 1 11 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.833 -0.111 19142 944 1 11 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.997 -1.063 19142 945 1 11 . 1 1 21 21 LYS H H 21 8.902 8.902 9.036 -0.134 19142 946 1 11 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.545 -0.154 19142 947 1 11 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.107 9.563 19142 948 1 11 . 1 1 22 22 CYS H H 22 8.986 8.986 8.967 0.019 19142 949 1 11 . 1 1 23 23 LYS N N 23 122.935 122.935 123.025 -0.090 19142 950 1 11 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.735 -0.160 19142 951 1 11 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.320 -0.538 19142 952 1 11 . 1 1 23 23 LYS H H 23 8.844 8.844 9.254 -0.410 19142 953 1 11 . 1 1 24 24 THR N N 24 117.783 117.783 120.554 -2.771 19142 954 1 11 . 1 1 24 24 THR HA H 24 4.494 4.494 4.413 0.081 19142 955 1 11 . 1 1 24 24 THR CA C 24 62.443 62.443 63.544 -1.101 19142 956 1 11 . 1 1 24 24 THR CB C 24 69.712 69.712 68.829 0.883 19142 957 1 11 . 1 1 24 24 THR H H 24 8.518 8.518 8.529 -0.011 19142 958 1 12 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.627 0.112 19142 959 1 12 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.285 -0.214 19142 960 1 12 . 1 1 2 2 LYS H H 2 8.713 8.713 8.197 0.516 19142 961 1 12 . 1 1 3 3 SER N N 3 119.185 119.185 118.650 0.535 19142 962 1 12 . 1 1 3 3 SER HA H 3 4.634 4.634 4.784 -0.150 19142 963 1 12 . 1 1 3 3 SER CB C 3 64.237 64.237 64.376 -0.139 19142 964 1 12 . 1 1 3 3 SER H H 3 8.714 8.714 8.366 0.348 19142 965 1 12 . 1 1 4 4 CYS N N 4 123.655 123.655 124.575 -0.920 19142 966 1 12 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.516 -0.212 19142 967 1 12 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.266 10.779 19142 968 1 12 . 1 1 4 4 CYS H H 4 8.709 8.709 8.915 -0.206 19142 969 1 12 . 1 1 5 5 GLU N N 5 122.846 122.846 123.265 -0.419 19142 970 1 12 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.726 -0.196 19142 971 1 12 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.642 -0.288 19142 972 1 12 . 1 1 5 5 GLU H H 5 8.754 8.754 9.150 -0.396 19142 973 1 12 . 1 1 6 6 THR N N 6 117.072 117.072 115.362 1.710 19142 974 1 12 . 1 1 6 6 THR HA H 6 4.837 4.837 5.127 -0.290 19142 975 1 12 . 1 1 6 6 THR CB C 6 69.935 69.935 70.066 -0.131 19142 976 1 12 . 1 1 6 6 THR H H 6 8.314 8.314 8.312 0.002 19142 977 1 12 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.937 -0.139 19142 978 1 12 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.697 0.884 19142 979 1 12 . 1 1 7 7 PHE H H 7 9.018 9.018 7.927 1.091 19142 980 1 12 . 1 1 8 8 ILE N N 8 121.914 121.914 122.466 -0.552 19142 981 1 12 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.178 -0.484 19142 982 1 12 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.413 -0.430 19142 983 1 12 . 1 1 8 8 ILE H H 8 8.542 8.542 8.430 0.112 19142 984 1 12 . 1 1 9 9 VAL N N 9 125.551 125.551 124.833 0.718 19142 985 1 12 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.597 -0.042 19142 986 1 12 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.365 -0.243 19142 987 1 12 . 1 1 9 9 VAL H H 9 8.714 8.714 8.058 0.656 19142 988 1 12 . 1 1 10 10 ALA N N 10 126.210 126.210 123.143 3.067 19142 989 1 12 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.820 -0.174 19142 990 1 12 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.662 1.255 19142 991 1 12 . 1 1 10 10 ALA H H 10 8.405 8.405 8.436 -0.031 19142 992 1 12 . 1 1 11 11 CYS N N 11 120.017 120.017 120.881 -0.864 19142 993 1 12 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.292 0.638 19142 994 1 12 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.092 15.743 19142 995 1 12 . 1 1 11 11 CYS H H 11 8.599 8.599 8.528 0.071 19142 996 1 12 . 1 1 12 12 ASP N N 12 119.719 119.719 118.838 0.881 19142 997 1 12 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.771 -0.321 19142 998 1 12 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.680 1.166 19142 999 1 12 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.588 -0.812 19142 1000 1 12 . 1 1 12 12 ASP H H 12 8.649 8.649 7.889 0.760 19142 1001 1 12 . 1 1 13 13 GLY N N 13 107.940 107.940 107.284 0.656 19142 1002 1 12 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.143 1.117 19142 1003 1 12 . 1 1 13 13 GLY H H 13 8.546 8.546 7.616 0.930 19142 1004 1 12 . 1 1 14 14 GLY N N 14 108.342 108.342 105.713 2.629 19142 1005 1 12 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.187 0.293 19142 1006 1 12 . 1 1 14 14 GLY H H 14 8.171 8.171 8.115 0.056 19142 1007 1 12 . 1 1 15 15 LYS N N 15 120.019 120.019 119.876 0.143 19142 1008 1 12 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.726 -0.348 19142 1009 1 12 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.072 0.803 19142 1010 1 12 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.078 -1.481 19142 1011 1 12 . 1 1 15 15 LYS H H 15 7.709 7.709 7.837 -0.128 19142 1012 1 12 . 1 1 16 16 ALA N N 16 123.520 123.520 123.672 -0.152 19142 1013 1 12 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.562 0.084 19142 1014 1 12 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.382 -0.077 19142 1015 1 12 . 1 1 16 16 ALA H H 16 8.288 8.288 8.297 -0.009 19142 1016 1 12 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.682 0.188 19142 1017 1 12 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.896 10.055 19142 1018 1 12 . 1 1 17 17 CYS H H 17 8.916 8.916 8.306 0.610 19142 1019 1 12 . 1 1 18 18 ARG N N 18 122.376 122.376 122.595 -0.219 19142 1020 1 12 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.837 -0.026 19142 1021 1 12 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.699 1.946 19142 1022 1 12 . 1 1 18 18 ARG H H 18 8.546 8.546 8.471 0.075 19142 1023 1 12 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.091 0.520 19142 1024 1 12 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.532 1.039 19142 1025 1 12 . 1 1 19 19 GLU H H 19 8.997 8.997 7.678 1.319 19142 1026 1 12 . 1 1 20 20 VAL N N 20 123.513 123.513 122.092 1.421 19142 1027 1 12 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.365 0.317 19142 1028 1 12 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.243 0.123 19142 1029 1 12 . 1 1 20 20 VAL H H 20 8.581 8.581 8.121 0.460 19142 1030 1 12 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.797 -0.075 19142 1031 1 12 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.918 -0.984 19142 1032 1 12 . 1 1 21 21 LYS H H 21 8.902 8.902 8.588 0.314 19142 1033 1 12 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.481 -0.090 19142 1034 1 12 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.792 9.878 19142 1035 1 12 . 1 1 22 22 CYS H H 22 8.986 8.986 8.907 0.079 19142 1036 1 12 . 1 1 23 23 LYS N N 23 122.935 122.935 122.971 -0.036 19142 1037 1 12 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.743 -0.168 19142 1038 1 12 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.251 -0.469 19142 1039 1 12 . 1 1 23 23 LYS H H 23 8.844 8.844 9.192 -0.348 19142 1040 1 12 . 1 1 24 24 THR N N 24 117.783 117.783 115.166 2.617 19142 1041 1 12 . 1 1 24 24 THR HA H 24 4.494 4.494 4.407 0.087 19142 1042 1 12 . 1 1 24 24 THR CA C 24 62.443 62.443 61.330 1.113 19142 1043 1 12 . 1 1 24 24 THR CB C 24 69.712 69.712 69.372 0.340 19142 1044 1 12 . 1 1 24 24 THR H H 24 8.518 8.518 8.346 0.172 19142 1045 1 13 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.669 0.070 19142 1046 1 13 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.576 -0.505 19142 1047 1 13 . 1 1 2 2 LYS H H 2 8.713 8.713 8.216 0.497 19142 1048 1 13 . 1 1 3 3 SER N N 3 119.185 119.185 117.684 1.501 19142 1049 1 13 . 1 1 3 3 SER HA H 3 4.634 4.634 4.778 -0.144 19142 1050 1 13 . 1 1 3 3 SER CB C 3 64.237 64.237 64.948 -0.711 19142 1051 1 13 . 1 1 3 3 SER H H 3 8.714 8.714 8.364 0.350 19142 1052 1 13 . 1 1 4 4 CYS N N 4 123.655 123.655 123.642 0.013 19142 1053 1 13 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.538 -0.234 19142 1054 1 13 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.316 10.729 19142 1055 1 13 . 1 1 4 4 CYS H H 4 8.709 8.709 8.855 -0.146 19142 1056 1 13 . 1 1 5 5 GLU N N 5 122.846 122.846 122.825 0.021 19142 1057 1 13 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.671 -0.141 19142 1058 1 13 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.700 -0.346 19142 1059 1 13 . 1 1 5 5 GLU H H 5 8.754 8.754 9.215 -0.461 19142 1060 1 13 . 1 1 6 6 THR N N 6 117.072 117.072 115.667 1.405 19142 1061 1 13 . 1 1 6 6 THR HA H 6 4.837 4.837 5.178 -0.341 19142 1062 1 13 . 1 1 6 6 THR CB C 6 69.935 69.935 70.120 -0.185 19142 1063 1 13 . 1 1 6 6 THR H H 6 8.314 8.314 8.333 -0.019 19142 1064 1 13 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.015 -0.217 19142 1065 1 13 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.471 1.110 19142 1066 1 13 . 1 1 7 7 PHE H H 7 9.018 9.018 7.979 1.039 19142 1067 1 13 . 1 1 8 8 ILE N N 8 121.914 121.914 122.503 -0.589 19142 1068 1 13 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.185 -0.491 19142 1069 1 13 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.361 -0.378 19142 1070 1 13 . 1 1 8 8 ILE H H 8 8.542 8.542 8.433 0.109 19142 1071 1 13 . 1 1 9 9 VAL N N 9 125.551 125.551 124.866 0.685 19142 1072 1 13 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.597 -0.042 19142 1073 1 13 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.350 -0.228 19142 1074 1 13 . 1 1 9 9 VAL H H 9 8.714 8.714 8.058 0.656 19142 1075 1 13 . 1 1 10 10 ALA N N 10 126.210 126.210 123.160 3.050 19142 1076 1 13 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.798 -0.152 19142 1077 1 13 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.652 1.265 19142 1078 1 13 . 1 1 10 10 ALA H H 10 8.405 8.405 8.432 -0.028 19142 1079 1 13 . 1 1 11 11 CYS N N 11 120.017 120.017 120.945 -0.928 19142 1080 1 13 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.298 0.632 19142 1081 1 13 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.093 15.742 19142 1082 1 13 . 1 1 11 11 CYS H H 11 8.599 8.599 8.546 0.053 19142 1083 1 13 . 1 1 12 12 ASP N N 12 119.719 119.719 119.168 0.551 19142 1084 1 13 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.763 -0.313 19142 1085 1 13 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.854 0.992 19142 1086 1 13 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.594 -0.818 19142 1087 1 13 . 1 1 12 12 ASP H H 12 8.649 8.649 7.856 0.793 19142 1088 1 13 . 1 1 13 13 GLY N N 13 107.940 107.940 107.346 0.594 19142 1089 1 13 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.132 1.128 19142 1090 1 13 . 1 1 13 13 GLY H H 13 8.546 8.546 7.602 0.944 19142 1091 1 13 . 1 1 14 14 GLY N N 14 108.342 108.342 105.778 2.564 19142 1092 1 13 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.199 0.281 19142 1093 1 13 . 1 1 14 14 GLY H H 14 8.171 8.171 8.116 0.055 19142 1094 1 13 . 1 1 15 15 LYS N N 15 120.019 120.019 119.848 0.171 19142 1095 1 13 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.728 -0.350 19142 1096 1 13 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.074 0.800 19142 1097 1 13 . 1 1 15 15 LYS CB C 15 33.597 33.597 34.959 -1.362 19142 1098 1 13 . 1 1 15 15 LYS H H 15 7.709 7.709 7.826 -0.117 19142 1099 1 13 . 1 1 16 16 ALA N N 16 123.520 123.520 123.674 -0.154 19142 1100 1 13 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.578 0.068 19142 1101 1 13 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.456 -0.151 19142 1102 1 13 . 1 1 16 16 ALA H H 16 8.288 8.288 8.291 -0.003 19142 1103 1 13 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.685 0.185 19142 1104 1 13 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.881 10.070 19142 1105 1 13 . 1 1 17 17 CYS H H 17 8.916 8.916 8.312 0.604 19142 1106 1 13 . 1 1 18 18 ARG N N 18 122.376 122.376 122.557 -0.181 19142 1107 1 13 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.850 -0.039 19142 1108 1 13 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.757 1.888 19142 1109 1 13 . 1 1 18 18 ARG H H 18 8.546 8.546 8.470 0.076 19142 1110 1 13 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.083 0.528 19142 1111 1 13 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.514 1.057 19142 1112 1 13 . 1 1 19 19 GLU H H 19 8.997 8.997 7.715 1.282 19142 1113 1 13 . 1 1 20 20 VAL N N 20 123.513 123.513 122.351 1.162 19142 1114 1 13 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.278 0.404 19142 1115 1 13 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.279 0.087 19142 1116 1 13 . 1 1 20 20 VAL H H 20 8.581 8.581 8.128 0.453 19142 1117 1 13 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.753 -0.031 19142 1118 1 13 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.335 -0.401 19142 1119 1 13 . 1 1 21 21 LYS H H 21 8.902 8.902 8.580 0.322 19142 1120 1 13 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.522 -0.131 19142 1121 1 13 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.436 9.234 19142 1122 1 13 . 1 1 22 22 CYS H H 22 8.986 8.986 8.679 0.307 19142 1123 1 13 . 1 1 23 23 LYS N N 23 122.935 122.935 123.982 -1.047 19142 1124 1 13 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.779 -0.204 19142 1125 1 13 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.169 -0.387 19142 1126 1 13 . 1 1 23 23 LYS H H 23 8.844 8.844 9.225 -0.381 19142 1127 1 13 . 1 1 24 24 THR N N 24 117.783 117.783 118.215 -0.432 19142 1128 1 13 . 1 1 24 24 THR HA H 24 4.494 4.494 4.298 0.196 19142 1129 1 13 . 1 1 24 24 THR CA C 24 62.443 62.443 63.846 -1.403 19142 1130 1 13 . 1 1 24 24 THR CB C 24 69.712 69.712 68.971 0.742 19142 1131 1 13 . 1 1 24 24 THR H H 24 8.518 8.518 8.390 0.128 19142 1132 1 14 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.715 0.024 19142 1133 1 14 . 1 1 2 2 LYS CB C 2 34.071 34.071 35.087 -1.016 19142 1134 1 14 . 1 1 2 2 LYS H H 2 8.713 8.713 8.245 0.468 19142 1135 1 14 . 1 1 3 3 SER N N 3 119.185 119.185 118.886 0.299 19142 1136 1 14 . 1 1 3 3 SER HA H 3 4.634 4.634 4.797 -0.163 19142 1137 1 14 . 1 1 3 3 SER CB C 3 64.237 64.237 64.564 -0.327 19142 1138 1 14 . 1 1 3 3 SER H H 3 8.714 8.714 8.408 0.306 19142 1139 1 14 . 1 1 4 4 CYS N N 4 123.655 123.655 125.216 -1.561 19142 1140 1 14 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.500 -0.196 19142 1141 1 14 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.224 10.821 19142 1142 1 14 . 1 1 4 4 CYS H H 4 8.709 8.709 8.903 -0.194 19142 1143 1 14 . 1 1 5 5 GLU N N 5 122.846 122.846 122.958 -0.112 19142 1144 1 14 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.668 -0.138 19142 1145 1 14 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.579 -0.225 19142 1146 1 14 . 1 1 5 5 GLU H H 5 8.754 8.754 9.117 -0.363 19142 1147 1 14 . 1 1 6 6 THR N N 6 117.072 117.072 115.732 1.340 19142 1148 1 14 . 1 1 6 6 THR HA H 6 4.837 4.837 5.038 -0.201 19142 1149 1 14 . 1 1 6 6 THR CB C 6 69.935 69.935 70.230 -0.295 19142 1150 1 14 . 1 1 6 6 THR H H 6 8.314 8.314 8.334 -0.020 19142 1151 1 14 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.979 -0.181 19142 1152 1 14 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.874 0.707 19142 1153 1 14 . 1 1 7 7 PHE H H 7 9.018 9.018 8.052 0.966 19142 1154 1 14 . 1 1 8 8 ILE N N 8 121.914 121.914 122.347 -0.433 19142 1155 1 14 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.141 -0.447 19142 1156 1 14 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.352 -0.369 19142 1157 1 14 . 1 1 8 8 ILE H H 8 8.542 8.542 8.392 0.150 19142 1158 1 14 . 1 1 9 9 VAL N N 9 125.551 125.551 124.193 1.358 19142 1159 1 14 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.652 -0.097 19142 1160 1 14 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.717 -0.595 19142 1161 1 14 . 1 1 9 9 VAL H H 9 8.714 8.714 8.087 0.627 19142 1162 1 14 . 1 1 10 10 ALA N N 10 126.210 126.210 123.662 2.548 19142 1163 1 14 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.787 -0.141 19142 1164 1 14 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.543 1.374 19142 1165 1 14 . 1 1 10 10 ALA H H 10 8.405 8.405 8.515 -0.110 19142 1166 1 14 . 1 1 11 11 CYS N N 11 120.017 120.017 120.968 -0.951 19142 1167 1 14 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.285 0.645 19142 1168 1 14 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.091 15.744 19142 1169 1 14 . 1 1 11 11 CYS H H 11 8.599 8.599 8.561 0.038 19142 1170 1 14 . 1 1 12 12 ASP N N 12 119.719 119.719 119.020 0.699 19142 1171 1 14 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.767 -0.317 19142 1172 1 14 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.884 0.962 19142 1173 1 14 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.665 -0.889 19142 1174 1 14 . 1 1 12 12 ASP H H 12 8.649 8.649 7.865 0.784 19142 1175 1 14 . 1 1 13 13 GLY N N 13 107.940 107.940 107.283 0.657 19142 1176 1 14 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.152 1.108 19142 1177 1 14 . 1 1 13 13 GLY H H 13 8.546 8.546 7.587 0.959 19142 1178 1 14 . 1 1 14 14 GLY N N 14 108.342 108.342 106.500 1.842 19142 1179 1 14 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.281 0.199 19142 1180 1 14 . 1 1 14 14 GLY H H 14 8.171 8.171 8.216 -0.045 19142 1181 1 14 . 1 1 15 15 LYS N N 15 120.019 120.019 119.697 0.322 19142 1182 1 14 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.677 -0.299 19142 1183 1 14 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.065 0.809 19142 1184 1 14 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.064 -1.467 19142 1185 1 14 . 1 1 15 15 LYS H H 15 7.709 7.709 7.788 -0.079 19142 1186 1 14 . 1 1 16 16 ALA N N 16 123.520 123.520 123.770 -0.250 19142 1187 1 14 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.611 0.035 19142 1188 1 14 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.329 -0.024 19142 1189 1 14 . 1 1 16 16 ALA H H 16 8.288 8.288 8.283 0.005 19142 1190 1 14 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.687 0.183 19142 1191 1 14 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.852 10.099 19142 1192 1 14 . 1 1 17 17 CYS H H 17 8.916 8.916 8.286 0.630 19142 1193 1 14 . 1 1 18 18 ARG N N 18 122.376 122.376 122.633 -0.257 19142 1194 1 14 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.798 0.013 19142 1195 1 14 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.789 1.856 19142 1196 1 14 . 1 1 18 18 ARG H H 18 8.546 8.546 8.481 0.065 19142 1197 1 14 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.087 0.524 19142 1198 1 14 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.534 1.037 19142 1199 1 14 . 1 1 19 19 GLU H H 19 8.997 8.997 7.714 1.283 19142 1200 1 14 . 1 1 20 20 VAL N N 20 123.513 123.513 122.428 1.085 19142 1201 1 14 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.260 0.422 19142 1202 1 14 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.210 0.156 19142 1203 1 14 . 1 1 20 20 VAL H H 20 8.581 8.581 8.130 0.451 19142 1204 1 14 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.770 -0.048 19142 1205 1 14 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.193 -0.259 19142 1206 1 14 . 1 1 21 21 LYS H H 21 8.902 8.902 8.545 0.357 19142 1207 1 14 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.454 -0.063 19142 1208 1 14 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.448 9.222 19142 1209 1 14 . 1 1 22 22 CYS H H 22 8.986 8.986 8.616 0.370 19142 1210 1 14 . 1 1 23 23 LYS N N 23 122.935 122.935 124.163 -1.228 19142 1211 1 14 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.825 -0.250 19142 1212 1 14 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.710 -0.928 19142 1213 1 14 . 1 1 23 23 LYS H H 23 8.844 8.844 9.143 -0.299 19142 1214 1 14 . 1 1 24 24 THR N N 24 117.783 117.783 117.966 -0.183 19142 1215 1 14 . 1 1 24 24 THR HA H 24 4.494 4.494 4.254 0.240 19142 1216 1 14 . 1 1 24 24 THR CA C 24 62.443 62.443 63.385 -0.942 19142 1217 1 14 . 1 1 24 24 THR CB C 24 69.712 69.712 69.444 0.268 19142 1218 1 14 . 1 1 24 24 THR H H 24 8.518 8.518 8.328 0.190 19142 1219 1 15 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.598 0.141 19142 1220 1 15 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.128 -0.057 19142 1221 1 15 . 1 1 2 2 LYS H H 2 8.713 8.713 8.224 0.489 19142 1222 1 15 . 1 1 3 3 SER N N 3 119.185 119.185 118.409 0.776 19142 1223 1 15 . 1 1 3 3 SER HA H 3 4.634 4.634 4.805 -0.171 19142 1224 1 15 . 1 1 3 3 SER CB C 3 64.237 64.237 64.335 -0.098 19142 1225 1 15 . 1 1 3 3 SER H H 3 8.714 8.714 8.346 0.368 19142 1226 1 15 . 1 1 4 4 CYS N N 4 123.655 123.655 124.168 -0.513 19142 1227 1 15 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.467 -0.163 19142 1228 1 15 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.775 10.270 19142 1229 1 15 . 1 1 4 4 CYS H H 4 8.709 8.709 8.916 -0.207 19142 1230 1 15 . 1 1 5 5 GLU N N 5 122.846 122.846 121.105 1.741 19142 1231 1 15 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.629 -0.099 19142 1232 1 15 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.159 0.195 19142 1233 1 15 . 1 1 5 5 GLU H H 5 8.754 8.754 9.112 -0.358 19142 1234 1 15 . 1 1 6 6 THR N N 6 117.072 117.072 115.114 1.958 19142 1235 1 15 . 1 1 6 6 THR HA H 6 4.837 4.837 5.116 -0.279 19142 1236 1 15 . 1 1 6 6 THR CB C 6 69.935 69.935 70.175 -0.240 19142 1237 1 15 . 1 1 6 6 THR H H 6 8.314 8.314 8.318 -0.004 19142 1238 1 15 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.928 -0.130 19142 1239 1 15 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.556 1.025 19142 1240 1 15 . 1 1 7 7 PHE H H 7 9.018 9.018 7.510 1.508 19142 1241 1 15 . 1 1 8 8 ILE N N 8 121.914 121.914 122.792 -0.878 19142 1242 1 15 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.111 -0.417 19142 1243 1 15 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.233 -0.250 19142 1244 1 15 . 1 1 8 8 ILE H H 8 8.542 8.542 8.432 0.110 19142 1245 1 15 . 1 1 9 9 VAL N N 9 125.551 125.551 124.127 1.424 19142 1246 1 15 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.645 -0.090 19142 1247 1 15 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.783 -0.661 19142 1248 1 15 . 1 1 9 9 VAL H H 9 8.714 8.714 8.057 0.657 19142 1249 1 15 . 1 1 10 10 ALA N N 10 126.210 126.210 123.561 2.649 19142 1250 1 15 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.737 -0.091 19142 1251 1 15 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.505 1.412 19142 1252 1 15 . 1 1 10 10 ALA H H 10 8.405 8.405 8.483 -0.078 19142 1253 1 15 . 1 1 11 11 CYS N N 11 120.017 120.017 121.363 -1.346 19142 1254 1 15 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.306 0.624 19142 1255 1 15 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.365 15.470 19142 1256 1 15 . 1 1 11 11 CYS H H 11 8.599 8.599 8.363 0.236 19142 1257 1 15 . 1 1 12 12 ASP N N 12 119.719 119.719 118.651 1.068 19142 1258 1 15 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.782 -0.332 19142 1259 1 15 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.997 0.849 19142 1260 1 15 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.828 -1.052 19142 1261 1 15 . 1 1 12 12 ASP H H 12 8.649 8.649 8.374 0.275 19142 1262 1 15 . 1 1 13 13 GLY N N 13 107.940 107.940 107.181 0.759 19142 1263 1 15 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.285 0.975 19142 1264 1 15 . 1 1 13 13 GLY H H 13 8.546 8.546 7.523 1.023 19142 1265 1 15 . 1 1 14 14 GLY N N 14 108.342 108.342 106.630 1.712 19142 1266 1 15 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.969 0.511 19142 1267 1 15 . 1 1 14 14 GLY H H 14 8.171 8.171 8.198 -0.027 19142 1268 1 15 . 1 1 15 15 LYS N N 15 120.019 120.019 120.403 -0.384 19142 1269 1 15 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.197 0.181 19142 1270 1 15 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.292 -0.418 19142 1271 1 15 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.916 0.681 19142 1272 1 15 . 1 1 15 15 LYS H H 15 7.709 7.709 7.902 -0.193 19142 1273 1 15 . 1 1 16 16 ALA N N 16 123.520 123.520 122.633 0.887 19142 1274 1 15 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.387 0.259 19142 1275 1 15 . 1 1 16 16 ALA CB C 16 19.305 19.305 18.982 0.323 19142 1276 1 15 . 1 1 16 16 ALA H H 16 8.288 8.288 8.198 0.090 19142 1277 1 15 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.649 0.221 19142 1278 1 15 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.695 10.256 19142 1279 1 15 . 1 1 17 17 CYS H H 17 8.916 8.916 8.564 0.352 19142 1280 1 15 . 1 1 18 18 ARG N N 18 122.376 122.376 122.668 -0.292 19142 1281 1 15 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.772 0.039 19142 1282 1 15 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.036 1.609 19142 1283 1 15 . 1 1 18 18 ARG H H 18 8.546 8.546 8.614 -0.068 19142 1284 1 15 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.258 0.353 19142 1285 1 15 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.697 0.874 19142 1286 1 15 . 1 1 19 19 GLU H H 19 8.997 8.997 7.831 1.166 19142 1287 1 15 . 1 1 20 20 VAL N N 20 123.513 123.513 124.457 -0.944 19142 1288 1 15 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.391 0.291 19142 1289 1 15 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.541 0.825 19142 1290 1 15 . 1 1 20 20 VAL H H 20 8.581 8.581 8.418 0.163 19142 1291 1 15 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.851 -0.129 19142 1292 1 15 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.873 -0.939 19142 1293 1 15 . 1 1 21 21 LYS H H 21 8.902 8.902 8.994 -0.092 19142 1294 1 15 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.487 -0.096 19142 1295 1 15 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.339 9.331 19142 1296 1 15 . 1 1 22 22 CYS H H 22 8.986 8.986 8.650 0.336 19142 1297 1 15 . 1 1 23 23 LYS N N 23 122.935 122.935 123.073 -0.138 19142 1298 1 15 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.756 -0.181 19142 1299 1 15 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.110 -0.328 19142 1300 1 15 . 1 1 23 23 LYS H H 23 8.844 8.844 9.286 -0.442 19142 1301 1 15 . 1 1 24 24 THR N N 24 117.783 117.783 115.260 2.523 19142 1302 1 15 . 1 1 24 24 THR HA H 24 4.494 4.494 4.434 0.060 19142 1303 1 15 . 1 1 24 24 THR CA C 24 62.443 62.443 61.941 0.502 19142 1304 1 15 . 1 1 24 24 THR CB C 24 69.712 69.712 69.255 0.457 19142 1305 1 15 . 1 1 24 24 THR H H 24 8.518 8.518 8.352 0.166 19142 1306 1 16 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.626 0.113 19142 1307 1 16 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.521 -0.450 19142 1308 1 16 . 1 1 2 2 LYS H H 2 8.713 8.713 8.244 0.469 19142 1309 1 16 . 1 1 3 3 SER N N 3 119.185 119.185 119.098 0.087 19142 1310 1 16 . 1 1 3 3 SER HA H 3 4.634 4.634 4.766 -0.132 19142 1311 1 16 . 1 1 3 3 SER CB C 3 64.237 64.237 64.172 0.065 19142 1312 1 16 . 1 1 3 3 SER H H 3 8.714 8.714 8.352 0.362 19142 1313 1 16 . 1 1 4 4 CYS N N 4 123.655 123.655 125.846 -2.191 19142 1314 1 16 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.458 -0.154 19142 1315 1 16 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.081 10.964 19142 1316 1 16 . 1 1 4 4 CYS H H 4 8.709 8.709 8.957 -0.248 19142 1317 1 16 . 1 1 5 5 GLU N N 5 122.846 122.846 122.462 0.384 19142 1318 1 16 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.714 -0.184 19142 1319 1 16 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.332 0.022 19142 1320 1 16 . 1 1 5 5 GLU H H 5 8.754 8.754 9.148 -0.394 19142 1321 1 16 . 1 1 6 6 THR N N 6 117.072 117.072 114.911 2.161 19142 1322 1 16 . 1 1 6 6 THR HA H 6 4.837 4.837 5.258 -0.421 19142 1323 1 16 . 1 1 6 6 THR CB C 6 69.935 69.935 70.460 -0.525 19142 1324 1 16 . 1 1 6 6 THR H H 6 8.314 8.314 8.327 -0.013 19142 1325 1 16 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.009 -0.211 19142 1326 1 16 . 1 1 7 7 PHE CB C 7 41.581 41.581 41.159 0.422 19142 1327 1 16 . 1 1 7 7 PHE H H 7 9.018 9.018 7.972 1.046 19142 1328 1 16 . 1 1 8 8 ILE N N 8 121.914 121.914 122.564 -0.650 19142 1329 1 16 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.183 -0.489 19142 1330 1 16 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.384 -0.401 19142 1331 1 16 . 1 1 8 8 ILE H H 8 8.542 8.542 8.435 0.107 19142 1332 1 16 . 1 1 9 9 VAL N N 9 125.551 125.551 124.883 0.668 19142 1333 1 16 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.595 -0.040 19142 1334 1 16 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.336 -0.214 19142 1335 1 16 . 1 1 9 9 VAL H H 9 8.714 8.714 8.056 0.658 19142 1336 1 16 . 1 1 10 10 ALA N N 10 126.210 126.210 123.159 3.051 19142 1337 1 16 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.816 -0.170 19142 1338 1 16 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.662 1.255 19142 1339 1 16 . 1 1 10 10 ALA H H 10 8.405 8.405 8.432 -0.027 19142 1340 1 16 . 1 1 11 11 CYS N N 11 120.017 120.017 121.057 -1.040 19142 1341 1 16 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.301 0.629 19142 1342 1 16 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.088 15.747 19142 1343 1 16 . 1 1 11 11 CYS H H 11 8.599 8.599 8.545 0.054 19142 1344 1 16 . 1 1 12 12 ASP N N 12 119.719 119.719 119.246 0.473 19142 1345 1 16 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.773 -0.323 19142 1346 1 16 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.923 0.923 19142 1347 1 16 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.577 -0.800 19142 1348 1 16 . 1 1 12 12 ASP H H 12 8.649 8.649 7.852 0.797 19142 1349 1 16 . 1 1 13 13 GLY N N 13 107.940 107.940 107.345 0.595 19142 1350 1 16 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.163 1.097 19142 1351 1 16 . 1 1 13 13 GLY H H 13 8.546 8.546 7.581 0.965 19142 1352 1 16 . 1 1 14 14 GLY N N 14 108.342 108.342 106.469 1.873 19142 1353 1 16 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.270 0.210 19142 1354 1 16 . 1 1 14 14 GLY H H 14 8.171 8.171 8.213 -0.042 19142 1355 1 16 . 1 1 15 15 LYS N N 15 120.019 120.019 119.691 0.328 19142 1356 1 16 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.679 -0.301 19142 1357 1 16 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.076 0.798 19142 1358 1 16 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.163 -1.566 19142 1359 1 16 . 1 1 15 15 LYS H H 15 7.709 7.709 7.796 -0.087 19142 1360 1 16 . 1 1 16 16 ALA N N 16 123.520 123.520 123.686 -0.166 19142 1361 1 16 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.602 0.044 19142 1362 1 16 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.422 -0.117 19142 1363 1 16 . 1 1 16 16 ALA H H 16 8.288 8.288 8.277 0.011 19142 1364 1 16 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.686 0.184 19142 1365 1 16 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.945 10.006 19142 1366 1 16 . 1 1 17 17 CYS H H 17 8.916 8.916 8.330 0.586 19142 1367 1 16 . 1 1 18 18 ARG N N 18 122.376 122.376 122.099 0.277 19142 1368 1 16 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.834 -0.023 19142 1369 1 16 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.098 1.548 19142 1370 1 16 . 1 1 18 18 ARG H H 18 8.546 8.546 8.509 0.037 19142 1371 1 16 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.126 0.485 19142 1372 1 16 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.604 0.967 19142 1373 1 16 . 1 1 19 19 GLU H H 19 8.997 8.997 7.742 1.256 19142 1374 1 16 . 1 1 20 20 VAL N N 20 123.513 123.513 122.711 0.802 19142 1375 1 16 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.533 0.149 19142 1376 1 16 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.578 -0.212 19142 1377 1 16 . 1 1 20 20 VAL H H 20 8.581 8.581 8.151 0.430 19142 1378 1 16 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.802 -0.080 19142 1379 1 16 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.632 -0.698 19142 1380 1 16 . 1 1 21 21 LYS H H 21 8.902 8.902 8.916 -0.014 19142 1381 1 16 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.381 0.010 19142 1382 1 16 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.915 9.755 19142 1383 1 16 . 1 1 22 22 CYS H H 22 8.986 8.986 8.572 0.414 19142 1384 1 16 . 1 1 23 23 LYS N N 23 122.935 122.935 123.322 -0.387 19142 1385 1 16 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.709 -0.134 19142 1386 1 16 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.318 -0.536 19142 1387 1 16 . 1 1 23 23 LYS H H 23 8.844 8.844 9.233 -0.389 19142 1388 1 16 . 1 1 24 24 THR N N 24 117.783 117.783 118.317 -0.534 19142 1389 1 16 . 1 1 24 24 THR HA H 24 4.494 4.494 4.410 0.084 19142 1390 1 16 . 1 1 24 24 THR CA C 24 62.443 62.443 62.416 0.027 19142 1391 1 16 . 1 1 24 24 THR CB C 24 69.712 69.712 69.142 0.570 19142 1392 1 16 . 1 1 24 24 THR H H 24 8.518 8.518 8.464 0.054 19142 1393 1 17 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.658 0.081 19142 1394 1 17 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.299 -0.228 19142 1395 1 17 . 1 1 2 2 LYS H H 2 8.713 8.713 8.248 0.465 19142 1396 1 17 . 1 1 3 3 SER N N 3 119.185 119.185 119.840 -0.655 19142 1397 1 17 . 1 1 3 3 SER HA H 3 4.634 4.634 4.777 -0.143 19142 1398 1 17 . 1 1 3 3 SER CB C 3 64.237 64.237 64.209 0.028 19142 1399 1 17 . 1 1 3 3 SER H H 3 8.714 8.714 8.348 0.366 19142 1400 1 17 . 1 1 4 4 CYS N N 4 123.655 123.655 125.327 -1.672 19142 1401 1 17 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.449 -0.145 19142 1402 1 17 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.322 10.723 19142 1403 1 17 . 1 1 4 4 CYS H H 4 8.709 8.709 8.954 -0.245 19142 1404 1 17 . 1 1 5 5 GLU N N 5 122.846 122.846 121.843 1.003 19142 1405 1 17 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.646 -0.116 19142 1406 1 17 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.240 0.114 19142 1407 1 17 . 1 1 5 5 GLU H H 5 8.754 8.754 9.107 -0.353 19142 1408 1 17 . 1 1 6 6 THR N N 6 117.072 117.072 114.971 2.101 19142 1409 1 17 . 1 1 6 6 THR HA H 6 4.837 4.837 4.994 -0.157 19142 1410 1 17 . 1 1 6 6 THR CB C 6 69.935 69.935 70.129 -0.194 19142 1411 1 17 . 1 1 6 6 THR H H 6 8.314 8.314 8.295 0.019 19142 1412 1 17 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.002 -0.204 19142 1413 1 17 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.315 1.266 19142 1414 1 17 . 1 1 7 7 PHE H H 7 9.018 9.018 7.641 1.377 19142 1415 1 17 . 1 1 8 8 ILE N N 8 121.914 121.914 122.956 -1.042 19142 1416 1 17 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.084 -0.390 19142 1417 1 17 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.116 -0.133 19142 1418 1 17 . 1 1 8 8 ILE H H 8 8.542 8.542 8.435 0.107 19142 1419 1 17 . 1 1 9 9 VAL N N 9 125.551 125.551 124.185 1.366 19142 1420 1 17 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.640 -0.085 19142 1421 1 17 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.777 -0.655 19142 1422 1 17 . 1 1 9 9 VAL H H 9 8.714 8.714 8.035 0.679 19142 1423 1 17 . 1 1 10 10 ALA N N 10 126.210 126.210 123.544 2.666 19142 1424 1 17 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.732 -0.086 19142 1425 1 17 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.508 1.409 19142 1426 1 17 . 1 1 10 10 ALA H H 10 8.405 8.405 8.480 -0.075 19142 1427 1 17 . 1 1 11 11 CYS N N 11 120.017 120.017 121.472 -1.455 19142 1428 1 17 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.303 0.627 19142 1429 1 17 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.442 15.393 19142 1430 1 17 . 1 1 11 11 CYS H H 11 8.599 8.599 8.323 0.276 19142 1431 1 17 . 1 1 12 12 ASP N N 12 119.719 119.719 119.811 -0.092 19142 1432 1 17 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.806 -0.356 19142 1433 1 17 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.058 0.788 19142 1434 1 17 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.383 -0.607 19142 1435 1 17 . 1 1 12 12 ASP H H 12 8.649 8.649 8.102 0.547 19142 1436 1 17 . 1 1 13 13 GLY N N 13 107.940 107.940 106.287 1.653 19142 1437 1 17 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.277 0.983 19142 1438 1 17 . 1 1 13 13 GLY H H 13 8.546 8.546 7.749 0.797 19142 1439 1 17 . 1 1 14 14 GLY N N 14 108.342 108.342 106.651 1.691 19142 1440 1 17 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.974 0.506 19142 1441 1 17 . 1 1 14 14 GLY H H 14 8.171 8.171 8.196 -0.025 19142 1442 1 17 . 1 1 15 15 LYS N N 15 120.019 120.019 120.411 -0.392 19142 1443 1 17 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.197 0.181 19142 1444 1 17 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.303 -0.429 19142 1445 1 17 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.917 0.680 19142 1446 1 17 . 1 1 15 15 LYS H H 15 7.709 7.709 7.904 -0.195 19142 1447 1 17 . 1 1 16 16 ALA N N 16 123.520 123.520 122.615 0.905 19142 1448 1 17 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.388 0.258 19142 1449 1 17 . 1 1 16 16 ALA CB C 16 19.305 19.305 18.991 0.314 19142 1450 1 17 . 1 1 16 16 ALA H H 16 8.288 8.288 8.198 0.090 19142 1451 1 17 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.647 0.223 19142 1452 1 17 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.701 10.250 19142 1453 1 17 . 1 1 17 17 CYS H H 17 8.916 8.916 8.569 0.347 19142 1454 1 17 . 1 1 18 18 ARG N N 18 122.376 122.376 123.138 -0.762 19142 1455 1 17 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.762 0.049 19142 1456 1 17 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.851 1.794 19142 1457 1 17 . 1 1 18 18 ARG H H 18 8.546 8.546 8.583 -0.037 19142 1458 1 17 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.165 0.446 19142 1459 1 17 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.764 0.807 19142 1460 1 17 . 1 1 19 19 GLU H H 19 8.997 8.997 7.687 1.310 19142 1461 1 17 . 1 1 20 20 VAL N N 20 123.513 123.513 124.965 -1.452 19142 1462 1 17 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.310 0.372 19142 1463 1 17 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.521 0.845 19142 1464 1 17 . 1 1 20 20 VAL H H 20 8.581 8.581 8.398 0.183 19142 1465 1 17 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.875 -0.153 19142 1466 1 17 . 1 1 21 21 LYS CB C 21 34.934 34.934 36.236 -1.302 19142 1467 1 17 . 1 1 21 21 LYS H H 21 8.902 8.902 8.885 0.017 19142 1468 1 17 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.353 0.038 19142 1469 1 17 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.939 9.731 19142 1470 1 17 . 1 1 22 22 CYS H H 22 8.986 8.986 8.514 0.472 19142 1471 1 17 . 1 1 23 23 LYS N N 23 122.935 122.935 123.551 -0.616 19142 1472 1 17 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.705 -0.131 19142 1473 1 17 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.336 -0.554 19142 1474 1 17 . 1 1 23 23 LYS H H 23 8.844 8.844 9.222 -0.378 19142 1475 1 17 . 1 1 24 24 THR N N 24 117.783 117.783 118.553 -0.770 19142 1476 1 17 . 1 1 24 24 THR HA H 24 4.494 4.494 4.465 0.029 19142 1477 1 17 . 1 1 24 24 THR CA C 24 62.443 62.443 62.198 0.245 19142 1478 1 17 . 1 1 24 24 THR CB C 24 69.712 69.712 69.197 0.515 19142 1479 1 17 . 1 1 24 24 THR H H 24 8.518 8.518 8.458 0.060 19142 1480 1 18 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.440 0.299 19142 1481 1 18 . 1 1 2 2 LYS CB C 2 34.071 34.071 33.758 0.313 19142 1482 1 18 . 1 1 2 2 LYS H H 2 8.713 8.713 8.299 0.414 19142 1483 1 18 . 1 1 3 3 SER N N 3 119.185 119.185 119.027 0.158 19142 1484 1 18 . 1 1 3 3 SER HA H 3 4.634 4.634 4.780 -0.146 19142 1485 1 18 . 1 1 3 3 SER CB C 3 64.237 64.237 64.067 0.170 19142 1486 1 18 . 1 1 3 3 SER H H 3 8.714 8.714 8.294 0.420 19142 1487 1 18 . 1 1 4 4 CYS N N 4 123.655 123.655 125.600 -1.945 19142 1488 1 18 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.505 -0.201 19142 1489 1 18 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.012 11.033 19142 1490 1 18 . 1 1 4 4 CYS H H 4 8.709 8.709 8.976 -0.267 19142 1491 1 18 . 1 1 5 5 GLU N N 5 122.846 122.846 123.239 -0.393 19142 1492 1 18 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.724 -0.194 19142 1493 1 18 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.636 -0.282 19142 1494 1 18 . 1 1 5 5 GLU H H 5 8.754 8.754 9.150 -0.396 19142 1495 1 18 . 1 1 6 6 THR N N 6 117.072 117.072 115.131 1.941 19142 1496 1 18 . 1 1 6 6 THR HA H 6 4.837 4.837 5.151 -0.314 19142 1497 1 18 . 1 1 6 6 THR CB C 6 69.935 69.935 70.135 -0.201 19142 1498 1 18 . 1 1 6 6 THR H H 6 8.314 8.314 8.301 0.013 19142 1499 1 18 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.043 -0.245 19142 1500 1 18 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.590 0.991 19142 1501 1 18 . 1 1 7 7 PHE H H 7 9.018 9.018 7.863 1.155 19142 1502 1 18 . 1 1 8 8 ILE N N 8 121.914 121.914 122.327 -0.413 19142 1503 1 18 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.164 -0.470 19142 1504 1 18 . 1 1 8 8 ILE CB C 8 37.983 37.983 37.960 0.023 19142 1505 1 18 . 1 1 8 8 ILE H H 8 8.542 8.542 8.422 0.120 19142 1506 1 18 . 1 1 9 9 VAL N N 9 125.551 125.551 123.447 2.104 19142 1507 1 18 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.667 -0.112 19142 1508 1 18 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.905 -0.783 19142 1509 1 18 . 1 1 9 9 VAL H H 9 8.714 8.714 8.013 0.701 19142 1510 1 18 . 1 1 10 10 ALA N N 10 126.210 126.210 123.319 2.891 19142 1511 1 18 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.849 -0.203 19142 1512 1 18 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.558 1.359 19142 1513 1 18 . 1 1 10 10 ALA H H 10 8.405 8.405 8.534 -0.129 19142 1514 1 18 . 1 1 11 11 CYS N N 11 120.017 120.017 120.919 -0.902 19142 1515 1 18 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.309 0.621 19142 1516 1 18 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.097 15.738 19142 1517 1 18 . 1 1 11 11 CYS H H 11 8.599 8.599 8.528 0.071 19142 1518 1 18 . 1 1 12 12 ASP N N 12 119.719 119.719 119.091 0.628 19142 1519 1 18 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.785 -0.335 19142 1520 1 18 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.287 0.559 19142 1521 1 18 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.760 -0.984 19142 1522 1 18 . 1 1 12 12 ASP H H 12 8.649 8.649 7.931 0.718 19142 1523 1 18 . 1 1 13 13 GLY N N 13 107.940 107.940 107.876 0.064 19142 1524 1 18 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.298 0.962 19142 1525 1 18 . 1 1 13 13 GLY H H 13 8.546 8.546 7.550 0.996 19142 1526 1 18 . 1 1 14 14 GLY N N 14 108.342 108.342 105.891 2.451 19142 1527 1 18 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.203 0.277 19142 1528 1 18 . 1 1 14 14 GLY H H 14 8.171 8.171 8.128 0.043 19142 1529 1 18 . 1 1 15 15 LYS N N 15 120.019 120.019 119.776 0.243 19142 1530 1 18 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.720 -0.342 19142 1531 1 18 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.101 0.773 19142 1532 1 18 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.129 -1.532 19142 1533 1 18 . 1 1 15 15 LYS H H 15 7.709 7.709 7.828 -0.119 19142 1534 1 18 . 1 1 16 16 ALA N N 16 123.520 123.520 123.679 -0.159 19142 1535 1 18 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.579 0.067 19142 1536 1 18 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.452 -0.147 19142 1537 1 18 . 1 1 16 16 ALA H H 16 8.288 8.288 8.294 -0.006 19142 1538 1 18 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.688 0.182 19142 1539 1 18 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.939 10.012 19142 1540 1 18 . 1 1 17 17 CYS H H 17 8.916 8.916 8.297 0.619 19142 1541 1 18 . 1 1 18 18 ARG N N 18 122.376 122.376 122.576 -0.200 19142 1542 1 18 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.861 -0.050 19142 1543 1 18 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.726 1.919 19142 1544 1 18 . 1 1 18 18 ARG H H 18 8.546 8.546 8.469 0.077 19142 1545 1 18 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.099 0.512 19142 1546 1 18 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.447 1.124 19142 1547 1 18 . 1 1 19 19 GLU H H 19 8.997 8.997 7.775 1.222 19142 1548 1 18 . 1 1 20 20 VAL N N 20 123.513 123.513 122.058 1.455 19142 1549 1 18 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.380 0.302 19142 1550 1 18 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.226 0.140 19142 1551 1 18 . 1 1 20 20 VAL H H 20 8.581 8.581 8.143 0.438 19142 1552 1 18 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.753 -0.031 19142 1553 1 18 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.174 -0.240 19142 1554 1 18 . 1 1 21 21 LYS H H 21 8.902 8.902 8.796 0.106 19142 1555 1 18 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.413 -0.022 19142 1556 1 18 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.203 9.467 19142 1557 1 18 . 1 1 22 22 CYS H H 22 8.986 8.986 8.573 0.413 19142 1558 1 18 . 1 1 23 23 LYS N N 23 122.935 122.935 124.816 -1.881 19142 1559 1 18 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.814 -0.239 19142 1560 1 18 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.568 -0.786 19142 1561 1 18 . 1 1 23 23 LYS H H 23 8.844 8.844 9.241 -0.397 19142 1562 1 18 . 1 1 24 24 THR N N 24 117.783 117.783 117.625 0.158 19142 1563 1 18 . 1 1 24 24 THR HA H 24 4.494 4.494 4.248 0.246 19142 1564 1 18 . 1 1 24 24 THR CA C 24 62.443 62.443 63.221 -0.778 19142 1565 1 18 . 1 1 24 24 THR CB C 24 69.712 69.712 69.317 0.395 19142 1566 1 18 . 1 1 24 24 THR H H 24 8.518 8.518 8.358 0.160 19142 1567 1 19 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.556 0.183 19142 1568 1 19 . 1 1 2 2 LYS CB C 2 34.071 34.071 33.687 0.384 19142 1569 1 19 . 1 1 2 2 LYS H H 2 8.713 8.713 8.266 0.447 19142 1570 1 19 . 1 1 3 3 SER N N 3 119.185 119.185 119.373 -0.188 19142 1571 1 19 . 1 1 3 3 SER HA H 3 4.634 4.634 4.752 -0.118 19142 1572 1 19 . 1 1 3 3 SER CB C 3 64.237 64.237 64.870 -0.633 19142 1573 1 19 . 1 1 3 3 SER H H 3 8.714 8.714 8.375 0.339 19142 1574 1 19 . 1 1 4 4 CYS N N 4 123.655 123.655 124.287 -0.632 19142 1575 1 19 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.439 -0.135 19142 1576 1 19 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.455 10.590 19142 1577 1 19 . 1 1 4 4 CYS H H 4 8.709 8.709 8.828 -0.119 19142 1578 1 19 . 1 1 5 5 GLU N N 5 122.846 122.846 122.774 0.072 19142 1579 1 19 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.720 -0.190 19142 1580 1 19 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.558 -0.204 19142 1581 1 19 . 1 1 5 5 GLU H H 5 8.754 8.754 9.121 -0.367 19142 1582 1 19 . 1 1 6 6 THR N N 6 117.072 117.072 115.232 1.840 19142 1583 1 19 . 1 1 6 6 THR HA H 6 4.837 4.837 5.165 -0.328 19142 1584 1 19 . 1 1 6 6 THR CB C 6 69.935 69.935 70.322 -0.387 19142 1585 1 19 . 1 1 6 6 THR H H 6 8.314 8.314 8.346 -0.032 19142 1586 1 19 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.974 -0.176 19142 1587 1 19 . 1 1 7 7 PHE CB C 7 41.581 41.581 41.149 0.432 19142 1588 1 19 . 1 1 7 7 PHE H H 7 9.018 9.018 8.012 1.006 19142 1589 1 19 . 1 1 8 8 ILE N N 8 121.914 121.914 123.024 -1.110 19142 1590 1 19 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.152 -0.458 19142 1591 1 19 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.094 -0.112 19142 1592 1 19 . 1 1 8 8 ILE H H 8 8.542 8.542 8.437 0.105 19142 1593 1 19 . 1 1 9 9 VAL N N 9 125.551 125.551 124.924 0.627 19142 1594 1 19 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.585 -0.030 19142 1595 1 19 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.358 -0.236 19142 1596 1 19 . 1 1 9 9 VAL H H 9 8.714 8.714 8.048 0.666 19142 1597 1 19 . 1 1 10 10 ALA N N 10 126.210 126.210 123.148 3.062 19142 1598 1 19 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.802 -0.156 19142 1599 1 19 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.636 1.281 19142 1600 1 19 . 1 1 10 10 ALA H H 10 8.405 8.405 8.426 -0.021 19142 1601 1 19 . 1 1 11 11 CYS N N 11 120.017 120.017 121.006 -0.989 19142 1602 1 19 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.310 0.620 19142 1603 1 19 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.145 15.691 19142 1604 1 19 . 1 1 11 11 CYS H H 11 8.599 8.599 8.528 0.071 19142 1605 1 19 . 1 1 12 12 ASP N N 12 119.719 119.719 119.081 0.638 19142 1606 1 19 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.706 -0.256 19142 1607 1 19 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.448 0.398 19142 1608 1 19 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.678 -0.902 19142 1609 1 19 . 1 1 12 12 ASP H H 12 8.649 8.649 8.063 0.586 19142 1610 1 19 . 1 1 13 13 GLY N N 13 107.940 107.940 107.589 0.351 19142 1611 1 19 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.162 1.098 19142 1612 1 19 . 1 1 13 13 GLY H H 13 8.546 8.546 8.135 0.411 19142 1613 1 19 . 1 1 14 14 GLY N N 14 108.342 108.342 106.576 1.766 19142 1614 1 19 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.307 0.173 19142 1615 1 19 . 1 1 14 14 GLY H H 14 8.171 8.171 8.233 -0.062 19142 1616 1 19 . 1 1 15 15 LYS N N 15 120.019 120.019 119.673 0.346 19142 1617 1 19 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.675 -0.297 19142 1618 1 19 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.059 0.815 19142 1619 1 19 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.014 -1.417 19142 1620 1 19 . 1 1 15 15 LYS H H 15 7.709 7.709 7.776 -0.067 19142 1621 1 19 . 1 1 16 16 ALA N N 16 123.520 123.520 123.728 -0.208 19142 1622 1 19 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.619 0.027 19142 1623 1 19 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.379 -0.074 19142 1624 1 19 . 1 1 16 16 ALA H H 16 8.288 8.288 8.275 0.013 19142 1625 1 19 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.690 0.180 19142 1626 1 19 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.828 10.123 19142 1627 1 19 . 1 1 17 17 CYS H H 17 8.916 8.916 8.299 0.617 19142 1628 1 19 . 1 1 18 18 ARG N N 18 122.376 122.376 122.602 -0.226 19142 1629 1 19 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.812 -0.001 19142 1630 1 19 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.783 1.862 19142 1631 1 19 . 1 1 18 18 ARG H H 18 8.546 8.546 8.478 0.068 19142 1632 1 19 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.126 0.485 19142 1633 1 19 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.514 1.057 19142 1634 1 19 . 1 1 19 19 GLU H H 19 8.997 8.997 7.724 1.273 19142 1635 1 19 . 1 1 20 20 VAL N N 20 123.513 123.513 122.445 1.068 19142 1636 1 19 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.473 0.209 19142 1637 1 19 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.644 -0.278 19142 1638 1 19 . 1 1 20 20 VAL H H 20 8.581 8.581 8.146 0.435 19142 1639 1 19 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.781 -0.059 19142 1640 1 19 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.629 -0.695 19142 1641 1 19 . 1 1 21 21 LYS H H 21 8.902 8.902 8.854 0.048 19142 1642 1 19 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.454 -0.063 19142 1643 1 19 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.172 9.498 19142 1644 1 19 . 1 1 22 22 CYS H H 22 8.986 8.986 8.573 0.413 19142 1645 1 19 . 1 1 23 23 LYS N N 23 122.935 122.935 124.633 -1.698 19142 1646 1 19 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.807 -0.232 19142 1647 1 19 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.529 -0.747 19142 1648 1 19 . 1 1 23 23 LYS H H 23 8.844 8.844 9.215 -0.371 19142 1649 1 19 . 1 1 24 24 THR N N 24 117.783 117.783 117.054 0.729 19142 1650 1 19 . 1 1 24 24 THR HA H 24 4.494 4.494 4.395 0.099 19142 1651 1 19 . 1 1 24 24 THR CA C 24 62.443 62.443 62.712 -0.269 19142 1652 1 19 . 1 1 24 24 THR CB C 24 69.712 69.712 69.252 0.460 19142 1653 1 19 . 1 1 24 24 THR H H 24 8.518 8.518 8.354 0.164 19142 1654 1 20 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.643 0.096 19142 1655 1 20 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.601 -0.530 19142 1656 1 20 . 1 1 2 2 LYS H H 2 8.713 8.713 8.233 0.480 19142 1657 1 20 . 1 1 3 3 SER N N 3 119.185 119.185 119.712 -0.527 19142 1658 1 20 . 1 1 3 3 SER HA H 3 4.634 4.634 4.735 -0.101 19142 1659 1 20 . 1 1 3 3 SER CB C 3 64.237 64.237 63.886 0.351 19142 1660 1 20 . 1 1 3 3 SER H H 3 8.714 8.714 8.368 0.346 19142 1661 1 20 . 1 1 4 4 CYS N N 4 123.655 123.655 126.063 -2.408 19142 1662 1 20 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.524 -0.220 19142 1663 1 20 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.343 10.702 19142 1664 1 20 . 1 1 4 4 CYS H H 4 8.709 8.709 8.916 -0.207 19142 1665 1 20 . 1 1 5 5 GLU N N 5 122.846 122.846 123.385 -0.539 19142 1666 1 20 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.697 -0.167 19142 1667 1 20 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.670 -0.316 19142 1668 1 20 . 1 1 5 5 GLU H H 5 8.754 8.754 9.175 -0.421 19142 1669 1 20 . 1 1 6 6 THR N N 6 117.072 117.072 116.365 0.707 19142 1670 1 20 . 1 1 6 6 THR HA H 6 4.837 4.837 5.108 -0.271 19142 1671 1 20 . 1 1 6 6 THR CB C 6 69.935 69.935 69.946 -0.011 19142 1672 1 20 . 1 1 6 6 THR H H 6 8.314 8.314 8.384 -0.070 19142 1673 1 20 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.959 -0.161 19142 1674 1 20 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.917 0.664 19142 1675 1 20 . 1 1 7 7 PHE H H 7 9.018 9.018 8.043 0.975 19142 1676 1 20 . 1 1 8 8 ILE N N 8 121.914 121.914 122.613 -0.699 19142 1677 1 20 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.171 -0.477 19142 1678 1 20 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.324 -0.341 19142 1679 1 20 . 1 1 8 8 ILE H H 8 8.542 8.542 8.435 0.107 19142 1680 1 20 . 1 1 9 9 VAL N N 9 125.551 125.551 124.846 0.705 19142 1681 1 20 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.592 -0.037 19142 1682 1 20 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.364 -0.242 19142 1683 1 20 . 1 1 9 9 VAL H H 9 8.714 8.714 8.050 0.664 19142 1684 1 20 . 1 1 10 10 ALA N N 10 126.210 126.210 123.131 3.079 19142 1685 1 20 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.815 -0.169 19142 1686 1 20 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.652 1.265 19142 1687 1 20 . 1 1 10 10 ALA H H 10 8.405 8.405 8.434 -0.029 19142 1688 1 20 . 1 1 11 11 CYS N N 11 120.017 120.017 120.865 -0.848 19142 1689 1 20 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.311 0.619 19142 1690 1 20 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.133 15.702 19142 1691 1 20 . 1 1 11 11 CYS H H 11 8.599 8.599 8.548 0.051 19142 1692 1 20 . 1 1 12 12 ASP N N 12 119.719 119.719 119.047 0.672 19142 1693 1 20 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.752 -0.302 19142 1694 1 20 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.246 0.600 19142 1695 1 20 . 1 1 12 12 ASP CB C 12 39.776 39.776 41.026 -1.250 19142 1696 1 20 . 1 1 12 12 ASP H H 12 8.649 8.649 8.308 0.341 19142 1697 1 20 . 1 1 13 13 GLY N N 13 107.940 107.940 107.572 0.368 19142 1698 1 20 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.257 1.003 19142 1699 1 20 . 1 1 13 13 GLY H H 13 8.546 8.546 8.185 0.361 19142 1700 1 20 . 1 1 14 14 GLY N N 14 108.342 108.342 106.530 1.812 19142 1701 1 20 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.278 0.202 19142 1702 1 20 . 1 1 14 14 GLY H H 14 8.171 8.171 8.221 -0.050 19142 1703 1 20 . 1 1 15 15 LYS N N 15 120.019 120.019 119.643 0.376 19142 1704 1 20 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.681 -0.303 19142 1705 1 20 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.058 0.816 19142 1706 1 20 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.103 -1.506 19142 1707 1 20 . 1 1 15 15 LYS H H 15 7.709 7.709 7.783 -0.074 19142 1708 1 20 . 1 1 16 16 ALA N N 16 123.520 123.520 123.699 -0.179 19142 1709 1 20 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.613 0.033 19142 1710 1 20 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.450 -0.145 19142 1711 1 20 . 1 1 16 16 ALA H H 16 8.288 8.288 8.276 0.012 19142 1712 1 20 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.691 0.179 19142 1713 1 20 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.862 10.089 19142 1714 1 20 . 1 1 17 17 CYS H H 17 8.916 8.916 8.307 0.609 19142 1715 1 20 . 1 1 18 18 ARG N N 18 122.376 122.376 122.476 -0.100 19142 1716 1 20 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.853 -0.042 19142 1717 1 20 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.762 1.883 19142 1718 1 20 . 1 1 18 18 ARG H H 18 8.546 8.546 8.466 0.080 19142 1719 1 20 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.124 0.487 19142 1720 1 20 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.494 1.077 19142 1721 1 20 . 1 1 19 19 GLU H H 19 8.997 8.997 7.706 1.291 19142 1722 1 20 . 1 1 20 20 VAL N N 20 123.513 123.513 122.614 0.899 19142 1723 1 20 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.248 0.434 19142 1724 1 20 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.732 -0.366 19142 1725 1 20 . 1 1 20 20 VAL H H 20 8.581 8.581 8.155 0.426 19142 1726 1 20 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.753 -0.031 19142 1727 1 20 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.526 -0.592 19142 1728 1 20 . 1 1 21 21 LYS H H 21 8.902 8.902 8.440 0.462 19142 1729 1 20 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.476 -0.085 19142 1730 1 20 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.634 10.036 19142 1731 1 20 . 1 1 22 22 CYS H H 22 8.986 8.986 8.565 0.421 19142 1732 1 20 . 1 1 23 23 LYS N N 23 122.935 122.935 123.526 -0.591 19142 1733 1 20 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.686 -0.111 19142 1734 1 20 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.158 -0.376 19142 1735 1 20 . 1 1 23 23 LYS H H 23 8.844 8.844 9.213 -0.369 19142 1736 1 20 . 1 1 24 24 THR N N 24 117.783 117.783 115.710 2.073 19142 1737 1 20 . 1 1 24 24 THR HA H 24 4.494 4.494 4.312 0.182 19142 1738 1 20 . 1 1 24 24 THR CA C 24 62.443 62.443 62.575 -0.132 19142 1739 1 20 . 1 1 24 24 THR CB C 24 69.712 69.712 69.297 0.415 19142 1740 1 20 . 1 1 24 24 THR H H 24 8.518 8.518 8.381 0.137 19142 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 17 1.461 -0.634 1.357 19142 2 1 1 "Average Difference" HA 25 0.274 -0.012 0.280 19142 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19142 4 1 1 "Average Difference" CA 5 0.870 -0.815 0.341 19142 5 1 1 "Average Difference" CB 21 5.197 -2.212 4.819 19142 6 1 1 "Average Difference" HN 23 0.561 -0.270 0.502 19142 7 1 2 "Average Difference" N 17 1.437 -0.175 1.470 19142 8 1 2 "Average Difference" HA 25 0.266 -0.035 0.269 19142 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19142 10 1 2 "Average Difference" CA 5 0.680 -0.355 0.648 19142 11 1 2 "Average Difference" CB 21 5.195 -2.360 4.742 19142 12 1 2 "Average Difference" HN 23 0.542 -0.233 0.500 19142 13 1 3 "Average Difference" N 17 1.386 -0.353 1.381 19142 14 1 3 "Average Difference" HA 25 0.268 -0.019 0.273 19142 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19142 16 1 3 "Average Difference" CA 5 0.724 -0.486 0.601 19142 17 1 3 "Average Difference" CB 21 5.210 -2.255 4.813 19142 18 1 3 "Average Difference" HN 23 0.500 -0.264 0.435 19142 19 1 4 "Average Difference" N 17 1.409 -0.555 1.335 19142 20 1 4 "Average Difference" HA 25 0.267 -0.009 0.273 19142 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19142 22 1 4 "Average Difference" CA 5 0.740 -0.511 0.599 19142 23 1 4 "Average Difference" CB 21 5.232 -2.356 4.787 19142 24 1 4 "Average Difference" HN 23 0.501 -0.257 0.440 19142 25 1 5 "Average Difference" N 17 1.588 -0.219 1.621 19142 26 1 5 "Average Difference" HA 25 0.279 -0.025 0.283 19142 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19142 28 1 5 "Average Difference" CA 5 0.787 -0.669 0.464 19142 29 1 5 "Average Difference" CB 21 5.303 -2.295 4.899 19142 30 1 5 "Average Difference" HN 23 0.559 -0.280 0.494 19142 31 1 6 "Average Difference" N 17 1.259 -0.349 1.247 19142 32 1 6 "Average Difference" HA 25 0.285 -0.027 0.290 19142 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19142 34 1 6 "Average Difference" CA 5 0.757 -0.686 0.360 19142 35 1 6 "Average Difference" CB 21 5.203 -2.244 4.810 19142 36 1 6 "Average Difference" HN 23 0.524 -0.236 0.478 19142 37 1 7 "Average Difference" N 17 1.347 -0.313 1.350 19142 38 1 7 "Average Difference" HA 25 0.273 -0.009 0.279 19142 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19142 40 1 7 "Average Difference" CA 5 0.767 -0.168 0.837 19142 41 1 7 "Average Difference" CB 21 5.085 -2.318 4.638 19142 42 1 7 "Average Difference" HN 23 0.506 -0.253 0.449 19142 43 1 8 "Average Difference" N 17 1.370 -0.545 1.296 19142 44 1 8 "Average Difference" HA 25 0.267 -0.008 0.272 19142 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19142 46 1 8 "Average Difference" CA 5 0.724 -0.568 0.501 19142 47 1 8 "Average Difference" CB 21 5.241 -2.410 4.769 19142 48 1 8 "Average Difference" HN 23 0.500 -0.252 0.441 19142 49 1 9 "Average Difference" N 17 1.346 -0.417 1.319 19142 50 1 9 "Average Difference" HA 25 0.261 0.011 0.266 19142 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19142 52 1 9 "Average Difference" CA 5 0.676 -0.656 0.186 19142 53 1 9 "Average Difference" CB 21 5.192 -2.141 4.846 19142 54 1 9 "Average Difference" HN 23 0.520 -0.272 0.453 19142 55 1 10 "Average Difference" N 17 1.379 -0.495 1.327 19142 56 1 10 "Average Difference" HA 25 0.263 -0.004 0.268 19142 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19142 58 1 10 "Average Difference" CA 5 0.583 -0.438 0.431 19142 59 1 10 "Average Difference" CB 21 5.130 -2.319 4.688 19142 60 1 10 "Average Difference" HN 23 0.499 -0.260 0.436 19142 61 1 11 "Average Difference" N 17 1.417 -0.177 1.449 19142 62 1 11 "Average Difference" HA 25 0.288 0.014 0.293 19142 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19142 64 1 11 "Average Difference" CA 5 0.894 -0.407 0.891 19142 65 1 11 "Average Difference" CB 21 5.143 -2.247 4.741 19142 66 1 11 "Average Difference" HN 23 0.527 -0.224 0.488 19142 67 1 12 "Average Difference" N 17 1.378 -0.660 1.247 19142 68 1 12 "Average Difference" HA 25 0.274 0.031 0.278 19142 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19142 70 1 12 "Average Difference" CA 5 0.957 -0.898 0.368 19142 71 1 12 "Average Difference" CB 21 5.230 -2.227 4.849 19142 72 1 12 "Average Difference" HN 23 0.522 -0.281 0.450 19142 73 1 13 "Average Difference" N 17 1.216 -0.493 1.146 19142 74 1 13 "Average Difference" HA 25 0.286 0.031 0.290 19142 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19142 76 1 13 "Average Difference" CA 5 0.994 -0.360 1.036 19142 77 1 13 "Average Difference" CB 21 5.172 -2.212 4.790 19142 78 1 13 "Average Difference" HN 23 0.521 -0.283 0.447 19142 79 1 14 "Average Difference" N 17 1.112 -0.304 1.103 19142 80 1 14 "Average Difference" HA 25 0.278 0.021 0.283 19142 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19142 82 1 14 "Average Difference" CA 5 0.864 -0.427 0.840 19142 83 1 14 "Average Difference" CB 21 5.185 -2.138 4.841 19142 84 1 14 "Average Difference" HN 23 0.512 -0.284 0.435 19142 85 1 15 "Average Difference" N 17 1.378 -0.647 1.255 19142 86 1 15 "Average Difference" HA 25 0.244 -0.027 0.247 19142 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19142 88 1 15 "Average Difference" CA 5 0.687 -0.484 0.545 19142 89 1 15 "Average Difference" CB 21 5.106 -2.338 4.652 19142 90 1 15 "Average Difference" HN 23 0.526 -0.238 0.479 19142 91 1 16 "Average Difference" N 17 1.243 -0.337 1.233 19142 92 1 16 "Average Difference" HA 25 0.269 0.041 0.272 19142 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19142 94 1 16 "Average Difference" CA 5 0.740 -0.611 0.466 19142 95 1 16 "Average Difference" CB 21 5.226 -2.181 4.866 19142 96 1 16 "Average Difference" HN 23 0.516 -0.262 0.454 19142 97 1 17 "Average Difference" N 17 1.352 -0.146 1.385 19142 98 1 17 "Average Difference" HA 25 0.250 -0.044 0.252 19142 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19142 100 1 17 "Average Difference" CA 5 0.646 -0.418 0.550 19142 101 1 17 "Average Difference" CB 21 5.181 -2.390 4.710 19142 102 1 17 "Average Difference" HN 23 0.520 -0.252 0.464 19142 103 1 18 "Average Difference" N 17 1.408 -0.365 1.402 19142 104 1 18 "Average Difference" HA 25 0.287 0.028 0.291 19142 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19142 106 1 18 "Average Difference" CA 5 0.710 -0.359 0.684 19142 107 1 18 "Average Difference" CB 21 5.219 -2.273 4.815 19142 108 1 18 "Average Difference" HN 23 0.527 -0.277 0.459 19142 109 1 19 "Average Difference" N 17 1.194 -0.320 1.185 19142 110 1 19 "Average Difference" HA 25 0.265 0.031 0.269 19142 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19142 112 1 19 "Average Difference" CA 5 0.653 -0.443 0.536 19142 113 1 19 "Average Difference" CB 21 5.175 -2.176 4.811 19142 114 1 19 "Average Difference" HN 23 0.466 -0.244 0.405 19142 115 1 20 "Average Difference" N 17 1.273 -0.282 1.280 19142 116 1 20 "Average Difference" HA 25 0.270 0.025 0.275 19142 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19142 118 1 20 "Average Difference" CA 5 0.647 -0.498 0.461 19142 119 1 20 "Average Difference" CB 21 5.236 -2.215 4.861 19142 120 1 20 "Average Difference" HN 23 0.467 -0.241 0.409 19142 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 19142 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.631 0.108 19142 2 1 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.333 -0.262 19142 3 1 . 1 1 2 2 LYS H H 2 8.713 8.713 8.242 0.471 19142 4 1 . 1 1 3 3 SER N N 3 119.185 119.185 118.857 0.328 19142 5 1 . 1 1 3 3 SER HA H 3 4.634 4.634 4.769 -0.135 19142 6 1 . 1 1 3 3 SER CB C 3 64.237 64.237 64.450 -0.213 19142 7 1 . 1 1 3 3 SER H H 3 8.714 8.714 8.365 0.349 19142 8 1 . 1 1 4 4 CYS N N 4 123.655 123.655 124.755 -1.100 19142 9 1 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.505 -0.202 19142 10 1 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.361 10.684 19142 11 1 . 1 1 4 4 CYS H H 4 8.709 8.709 8.901 -0.192 19142 12 1 . 1 1 5 5 GLU N N 5 122.846 122.846 122.576 0.270 19142 13 1 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.683 -0.153 19142 14 1 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.570 -0.216 19142 15 1 . 1 1 5 5 GLU H H 5 8.754 8.754 9.195 -0.441 19142 16 1 . 1 1 6 6 THR N N 6 117.072 117.072 115.534 1.538 19142 17 1 . 1 1 6 6 THR HA H 6 4.837 4.837 5.111 -0.274 19142 18 1 . 1 1 6 6 THR CB C 6 69.935 69.935 70.184 -0.249 19142 19 1 . 1 1 6 6 THR H H 6 8.314 8.314 8.341 -0.027 19142 20 1 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.970 -0.172 19142 21 1 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.783 0.798 19142 22 1 . 1 1 7 7 PHE H H 7 9.018 9.018 7.810 1.208 19142 23 1 . 1 1 8 8 ILE N N 8 121.914 121.914 122.480 -0.566 19142 24 1 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.145 -0.451 19142 25 1 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.290 -0.307 19142 26 1 . 1 1 8 8 ILE H H 8 8.542 8.542 8.422 0.120 19142 27 1 . 1 1 9 9 VAL N N 9 125.551 125.551 124.394 1.157 19142 28 1 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.623 -0.068 19142 29 1 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.574 -0.452 19142 30 1 . 1 1 9 9 VAL H H 9 8.714 8.714 8.050 0.664 19142 31 1 . 1 1 10 10 ALA N N 10 126.210 126.210 123.347 2.863 19142 32 1 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.844 -0.198 19142 33 1 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.650 1.267 19142 34 1 . 1 1 10 10 ALA H H 10 8.405 8.405 8.510 -0.105 19142 35 1 . 1 1 11 11 CYS N N 11 120.017 120.017 121.530 -1.513 19142 36 1 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.316 0.614 19142 37 1 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.119 15.716 19142 38 1 . 1 1 11 11 CYS H H 11 8.599 8.599 8.480 0.119 19142 39 1 . 1 1 12 12 ASP N N 12 119.719 119.719 119.174 0.545 19142 40 1 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.774 -0.324 19142 41 1 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.904 0.942 19142 42 1 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.482 -0.706 19142 43 1 . 1 1 12 12 ASP H H 12 8.649 8.649 8.034 0.615 19142 44 1 . 1 1 13 13 GLY N N 13 107.940 107.940 107.464 0.476 19142 45 1 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.385 0.875 19142 46 1 . 1 1 13 13 GLY H H 13 8.546 8.546 7.715 0.831 19142 47 1 . 1 1 14 14 GLY N N 14 108.342 108.342 106.060 2.282 19142 48 1 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.070 0.410 19142 49 1 . 1 1 14 14 GLY H H 14 8.171 8.171 8.143 0.028 19142 50 1 . 1 1 15 15 LYS N N 15 120.019 120.019 119.938 0.081 19142 51 1 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.518 -0.140 19142 52 1 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.482 0.392 19142 53 1 . 1 1 15 15 LYS CB C 15 33.597 33.597 34.231 -0.634 19142 54 1 . 1 1 15 15 LYS H H 15 7.709 7.709 7.854 -0.145 19142 55 1 . 1 1 16 16 ALA N N 16 123.520 123.520 123.095 0.425 19142 56 1 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.535 0.111 19142 57 1 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.392 -0.087 19142 58 1 . 1 1 16 16 ALA H H 16 8.288 8.288 8.249 0.039 19142 59 1 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.677 0.194 19142 60 1 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.922 10.029 19142 61 1 . 1 1 17 17 CYS H H 17 8.916 8.916 8.371 0.545 19142 62 1 . 1 1 18 18 ARG N N 18 122.376 122.376 122.487 -0.111 19142 63 1 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.805 0.006 19142 64 1 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.810 1.835 19142 65 1 . 1 1 18 18 ARG H H 18 8.546 8.546 8.530 0.015 19142 66 1 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.105 0.506 19142 67 1 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.432 1.139 19142 68 1 . 1 1 19 19 GLU H H 19 8.997 8.997 7.737 1.260 19142 69 1 . 1 1 20 20 VAL N N 20 123.513 123.513 123.298 0.215 19142 70 1 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.288 0.394 19142 71 1 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.079 0.287 19142 72 1 . 1 1 20 20 VAL H H 20 8.581 8.581 8.213 0.368 19142 73 1 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.788 -0.066 19142 74 1 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.638 -0.704 19142 75 1 . 1 1 21 21 LYS H H 21 8.902 8.902 8.727 0.175 19142 76 1 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.470 -0.079 19142 77 1 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.033 9.637 19142 78 1 . 1 1 22 22 CYS H H 22 8.986 8.986 8.677 0.309 19142 79 1 . 1 1 23 23 LYS N N 23 122.935 122.935 123.577 -0.642 19142 80 1 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.760 -0.185 19142 81 1 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.236 -0.454 19142 82 1 . 1 1 23 23 LYS H H 23 8.844 8.844 9.229 -0.385 19142 83 1 . 1 1 24 24 THR N N 24 117.783 117.783 117.410 0.373 19142 84 1 . 1 1 24 24 THR HA H 24 4.494 4.494 4.387 0.107 19142 85 1 . 1 1 24 24 THR CA C 24 62.443 62.443 62.499 -0.056 19142 86 1 . 1 1 24 24 THR CB C 24 69.712 69.712 69.245 0.467 19142 87 1 . 1 1 24 24 THR H H 24 8.518 8.518 8.400 0.118 19142 stop_ save_