data_19176 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19176 _Entry.PDB_ID 2M78 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 19176 _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 PHE HA H 2 4.880 4.880 4.914 -0.034 19176 2 1 1 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.738 0.179 19176 3 1 1 . 1 1 2 2 PHE CB C 2 40.772 40.772 42.011 -1.239 19176 4 1 1 . 1 1 2 2 PHE H H 2 7.941 7.941 8.001 -0.060 19176 5 1 1 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.254 0.092 19176 6 1 1 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.074 -1.611 19176 7 1 1 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.847 18.235 19176 8 1 1 . 1 1 3 3 CYS H H 3 8.708 8.708 8.230 0.478 19176 9 1 1 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.717 -0.134 19176 10 1 1 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.208 0.863 19176 11 1 1 . 1 1 4 4 ARG CB C 4 32.315 32.315 31.982 0.333 19176 12 1 1 . 1 1 4 4 ARG H H 4 8.617 8.617 9.075 -0.458 19176 13 1 1 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.049 0.405 19176 14 1 1 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.080 -2.501 19176 15 1 1 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.890 19.020 19176 16 1 1 . 1 1 5 5 CYS H H 5 9.031 9.031 8.481 0.550 19176 17 1 1 . 1 1 6 6 LEU HA H 6 4.678 4.678 5.044 -0.366 19176 18 1 1 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.768 0.789 19176 19 1 1 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.923 -1.670 19176 20 1 1 . 1 1 6 6 LEU H H 6 8.684 8.684 9.225 -0.541 19176 21 1 1 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.147 0.317 19176 22 1 1 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.033 -2.477 19176 23 1 1 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.845 19.878 19176 24 1 1 . 1 1 7 7 CYS H H 7 9.033 9.033 8.811 0.222 19176 25 1 1 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.517 -0.007 19176 26 1 1 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.674 0.879 19176 27 1 1 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.550 1.740 19176 28 1 1 . 1 1 8 8 ARG H H 8 8.554 8.554 9.020 -0.466 19176 29 1 1 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.051 -0.140 19176 30 1 1 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.098 0.151 19176 31 1 1 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.691 -0.411 19176 32 1 1 . 1 1 9 9 ARG H H 9 9.370 9.370 9.317 0.053 19176 33 1 1 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.727 0.625 19176 34 1 1 . 1 1 10 10 GLY H H 10 8.603 8.603 8.405 0.198 19176 35 1 1 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.777 0.185 19176 36 1 1 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.375 -0.968 19176 37 1 1 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.845 -0.724 19176 38 1 1 . 1 1 11 11 ASP H H 11 7.897 7.897 7.730 0.167 19176 39 1 1 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.572 -0.194 19176 40 1 1 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.954 -2.269 19176 41 1 1 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.510 19.402 19176 42 1 1 . 1 1 12 12 CYS H H 12 8.848 8.848 8.375 0.473 19176 43 1 1 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.768 -0.115 19176 44 1 1 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.981 0.087 19176 45 1 1 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.101 0.163 19176 46 1 1 . 1 1 13 13 ARG H H 13 8.595 8.595 9.205 -0.610 19176 47 1 1 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.090 0.398 19176 48 1 1 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.285 -2.623 19176 49 1 1 . 1 1 14 14 CYS CB C 14 47.903 47.903 29.077 18.826 19176 50 1 1 . 1 1 14 14 CYS H H 14 9.037 9.037 8.539 0.498 19176 51 1 1 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.625 -0.240 19176 52 1 1 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.043 0.356 19176 53 1 1 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.833 -1.486 19176 54 1 1 . 1 1 15 15 ILE H H 15 8.761 8.761 9.260 -0.499 19176 55 1 1 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.644 -0.071 19176 56 1 1 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.539 -2.038 19176 57 1 1 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.930 17.786 19176 58 1 1 . 1 1 16 16 CYS H H 16 9.090 9.090 8.742 0.348 19176 59 1 1 . 1 1 17 17 THR HA H 17 4.472 4.472 4.588 -0.116 19176 60 1 1 . 1 1 17 17 THR CA C 17 61.147 61.147 61.649 -0.502 19176 61 1 1 . 1 1 17 17 THR CB C 17 70.436 70.436 70.136 0.300 19176 62 1 1 . 1 1 17 17 THR H H 17 8.784 8.784 9.269 -0.485 19176 63 1 2 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.744 0.136 19176 64 1 2 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.731 -0.814 19176 65 1 2 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.994 -0.222 19176 66 1 2 . 1 1 2 2 PHE H H 2 7.941 7.941 7.858 0.083 19176 67 1 2 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.303 0.043 19176 68 1 2 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.129 -1.667 19176 69 1 2 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.527 17.555 19176 70 1 2 . 1 1 3 3 CYS H H 3 8.708 8.708 8.110 0.598 19176 71 1 2 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.657 -0.074 19176 72 1 2 . 1 1 4 4 ARG CA C 4 55.071 55.071 53.958 1.113 19176 73 1 2 . 1 1 4 4 ARG CB C 4 32.315 32.315 31.238 1.077 19176 74 1 2 . 1 1 4 4 ARG H H 4 8.617 8.617 8.879 -0.262 19176 75 1 2 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.146 0.308 19176 76 1 2 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.399 -2.820 19176 77 1 2 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.912 19.998 19176 78 1 2 . 1 1 5 5 CYS H H 5 9.031 9.031 8.466 0.565 19176 79 1 2 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.875 -0.197 19176 80 1 2 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.063 0.493 19176 81 1 2 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.939 -2.686 19176 82 1 2 . 1 1 6 6 LEU H H 6 8.684 8.684 9.305 -0.621 19176 83 1 2 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.204 0.260 19176 84 1 2 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.988 -2.432 19176 85 1 2 . 1 1 7 7 CYS CB C 7 47.723 47.723 26.456 21.267 19176 86 1 2 . 1 1 7 7 CYS H H 7 9.033 9.033 8.844 0.189 19176 87 1 2 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.512 -0.002 19176 88 1 2 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.080 0.473 19176 89 1 2 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.931 0.359 19176 90 1 2 . 1 1 8 8 ARG H H 8 8.554 8.554 9.104 -0.550 19176 91 1 2 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.001 -0.090 19176 92 1 2 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.756 0.493 19176 93 1 2 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.875 -0.595 19176 94 1 2 . 1 1 9 9 ARG H H 9 9.370 9.370 9.287 0.083 19176 95 1 2 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.688 0.664 19176 96 1 2 . 1 1 10 10 GLY H H 10 8.603 8.603 8.202 0.401 19176 97 1 2 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.819 0.143 19176 98 1 2 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.435 -1.028 19176 99 1 2 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.674 -1.553 19176 100 1 2 . 1 1 11 11 ASP H H 11 7.897 7.897 7.740 0.157 19176 101 1 2 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.497 -0.119 19176 102 1 2 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.770 -2.085 19176 103 1 2 . 1 1 12 12 CYS CB C 12 46.912 46.912 26.948 19.964 19176 104 1 2 . 1 1 12 12 CYS H H 12 8.848 8.848 8.768 0.080 19176 105 1 2 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.745 -0.092 19176 106 1 2 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.562 0.506 19176 107 1 2 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.742 -1.478 19176 108 1 2 . 1 1 13 13 ARG H H 13 8.595 8.595 9.163 -0.568 19176 109 1 2 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.980 0.508 19176 110 1 2 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.224 -2.563 19176 111 1 2 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.116 19.787 19176 112 1 2 . 1 1 14 14 CYS H H 14 9.037 9.037 8.563 0.474 19176 113 1 2 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.395 -0.010 19176 114 1 2 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.287 1.112 19176 115 1 2 . 1 1 15 15 ILE CB C 15 40.347 40.347 38.378 1.969 19176 116 1 2 . 1 1 15 15 ILE H H 15 8.761 8.761 9.147 -0.386 19176 117 1 2 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.528 0.045 19176 118 1 2 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.594 -2.093 19176 119 1 2 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.644 17.072 19176 120 1 2 . 1 1 16 16 CYS H H 16 9.090 9.090 8.891 0.199 19176 121 1 2 . 1 1 17 17 THR HA H 17 4.472 4.472 4.648 -0.176 19176 122 1 2 . 1 1 17 17 THR CA C 17 61.147 61.147 62.022 -0.875 19176 123 1 2 . 1 1 17 17 THR CB C 17 70.436 70.436 71.398 -0.962 19176 124 1 2 . 1 1 17 17 THR H H 17 8.784 8.784 9.245 -0.461 19176 125 1 3 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.678 0.202 19176 126 1 3 . 1 1 2 2 PHE CA C 2 56.917 56.917 58.060 -1.143 19176 127 1 3 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.143 0.629 19176 128 1 3 . 1 1 2 2 PHE H H 2 7.941 7.941 7.824 0.117 19176 129 1 3 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.285 0.061 19176 130 1 3 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.557 -2.095 19176 131 1 3 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.756 18.326 19176 132 1 3 . 1 1 3 3 CYS H H 3 8.708 8.708 8.520 0.188 19176 133 1 3 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.710 -0.127 19176 134 1 3 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.631 0.440 19176 135 1 3 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.348 -0.033 19176 136 1 3 . 1 1 4 4 ARG H H 4 8.617 8.617 9.029 -0.412 19176 137 1 3 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.027 0.427 19176 138 1 3 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.752 -3.172 19176 139 1 3 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.501 19.409 19176 140 1 3 . 1 1 5 5 CYS H H 5 9.031 9.031 8.727 0.304 19176 141 1 3 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.805 -0.127 19176 142 1 3 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.862 -0.305 19176 143 1 3 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.643 -2.390 19176 144 1 3 . 1 1 6 6 LEU H H 6 8.684 8.684 9.316 -0.632 19176 145 1 3 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.025 0.439 19176 146 1 3 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.614 -3.058 19176 147 1 3 . 1 1 7 7 CYS CB C 7 47.723 47.723 26.086 21.637 19176 148 1 3 . 1 1 7 7 CYS H H 7 9.033 9.033 8.788 0.245 19176 149 1 3 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.546 -0.036 19176 150 1 3 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.382 1.171 19176 151 1 3 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.954 0.336 19176 152 1 3 . 1 1 8 8 ARG H H 8 8.554 8.554 8.954 -0.400 19176 153 1 3 . 1 1 9 9 ARG HA H 9 3.911 3.911 3.983 -0.072 19176 154 1 3 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.669 0.580 19176 155 1 3 . 1 1 9 9 ARG CB C 9 28.280 28.280 29.103 -0.823 19176 156 1 3 . 1 1 9 9 ARG H H 9 9.370 9.370 9.243 0.127 19176 157 1 3 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.816 0.536 19176 158 1 3 . 1 1 10 10 GLY H H 10 8.603 8.603 8.260 0.343 19176 159 1 3 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.865 0.097 19176 160 1 3 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.084 -0.677 19176 161 1 3 . 1 1 11 11 ASP CB C 11 40.121 40.121 42.245 -2.124 19176 162 1 3 . 1 1 11 11 ASP H H 11 7.897 7.897 7.749 0.148 19176 163 1 3 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.378 0.000 19176 164 1 3 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.764 -2.079 19176 165 1 3 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.809 19.103 19176 166 1 3 . 1 1 12 12 CYS H H 12 8.848 8.848 8.902 -0.054 19176 167 1 3 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.830 -0.177 19176 168 1 3 . 1 1 13 13 ARG CA C 13 55.068 55.068 53.806 1.262 19176 169 1 3 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.757 -1.493 19176 170 1 3 . 1 1 13 13 ARG H H 13 8.595 8.595 9.205 -0.610 19176 171 1 3 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.020 0.468 19176 172 1 3 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.234 -2.573 19176 173 1 3 . 1 1 14 14 CYS CB C 14 47.903 47.903 29.203 18.700 19176 174 1 3 . 1 1 14 14 CYS H H 14 9.037 9.037 8.530 0.507 19176 175 1 3 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.450 -0.065 19176 176 1 3 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.209 0.190 19176 177 1 3 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.017 -0.670 19176 178 1 3 . 1 1 15 15 ILE H H 15 8.761 8.761 9.201 -0.440 19176 179 1 3 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.591 -0.018 19176 180 1 3 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.773 -2.272 19176 181 1 3 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.411 18.305 19176 182 1 3 . 1 1 16 16 CYS H H 16 9.090 9.090 9.073 0.017 19176 183 1 3 . 1 1 17 17 THR HA H 17 4.472 4.472 4.610 -0.138 19176 184 1 3 . 1 1 17 17 THR CA C 17 61.147 61.147 61.739 -0.592 19176 185 1 3 . 1 1 17 17 THR CB C 17 70.436 70.436 71.116 -0.680 19176 186 1 3 . 1 1 17 17 THR H H 17 8.784 8.784 9.240 -0.456 19176 187 1 4 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.819 0.061 19176 188 1 4 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.096 -0.180 19176 189 1 4 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.740 -0.968 19176 190 1 4 . 1 1 2 2 PHE H H 2 7.941 7.941 7.807 0.134 19176 191 1 4 . 1 1 3 3 CYS HA H 3 5.346 5.346 4.980 0.366 19176 192 1 4 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.721 -2.259 19176 193 1 4 . 1 1 3 3 CYS CB C 3 47.082 47.082 27.049 20.033 19176 194 1 4 . 1 1 3 3 CYS H H 3 8.708 8.708 8.119 0.589 19176 195 1 4 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.778 -0.195 19176 196 1 4 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.150 -0.079 19176 197 1 4 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.930 -1.615 19176 198 1 4 . 1 1 4 4 ARG H H 4 8.617 8.617 9.117 -0.500 19176 199 1 4 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.008 0.446 19176 200 1 4 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.826 -3.247 19176 201 1 4 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.212 19.698 19176 202 1 4 . 1 1 5 5 CYS H H 5 9.031 9.031 8.768 0.264 19176 203 1 4 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.769 -0.091 19176 204 1 4 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.588 0.969 19176 205 1 4 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.882 -0.629 19176 206 1 4 . 1 1 6 6 LEU H H 6 8.684 8.684 9.302 -0.618 19176 207 1 4 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.353 0.111 19176 208 1 4 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.794 -2.237 19176 209 1 4 . 1 1 7 7 CYS CB C 7 47.723 47.723 29.622 18.101 19176 210 1 4 . 1 1 7 7 CYS H H 7 9.033 9.033 8.807 0.226 19176 211 1 4 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.486 0.024 19176 212 1 4 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.661 -0.108 19176 213 1 4 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.901 0.389 19176 214 1 4 . 1 1 8 8 ARG H H 8 8.554 8.554 9.065 -0.511 19176 215 1 4 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.030 -0.119 19176 216 1 4 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.261 0.988 19176 217 1 4 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.228 0.052 19176 218 1 4 . 1 1 9 9 ARG H H 9 9.370 9.370 9.332 0.038 19176 219 1 4 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.785 0.567 19176 220 1 4 . 1 1 10 10 GLY H H 10 8.603 8.603 8.535 0.068 19176 221 1 4 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.692 0.270 19176 222 1 4 . 1 1 11 11 ASP CA C 11 52.407 52.407 54.066 -1.659 19176 223 1 4 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.851 -0.730 19176 224 1 4 . 1 1 11 11 ASP H H 11 7.897 7.897 7.746 0.151 19176 225 1 4 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.480 -0.102 19176 226 1 4 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.577 -1.892 19176 227 1 4 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.041 18.871 19176 228 1 4 . 1 1 12 12 CYS H H 12 8.848 8.848 8.303 0.545 19176 229 1 4 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.715 -0.062 19176 230 1 4 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.723 0.345 19176 231 1 4 . 1 1 13 13 ARG CB C 13 32.264 32.264 31.421 0.843 19176 232 1 4 . 1 1 13 13 ARG H H 13 8.595 8.595 9.126 -0.531 19176 233 1 4 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.125 0.363 19176 234 1 4 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.603 -2.942 19176 235 1 4 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.590 20.313 19176 236 1 4 . 1 1 14 14 CYS H H 14 9.037 9.037 8.649 0.388 19176 237 1 4 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.439 -0.054 19176 238 1 4 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.276 0.123 19176 239 1 4 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.865 -1.518 19176 240 1 4 . 1 1 15 15 ILE H H 15 8.761 8.761 9.212 -0.451 19176 241 1 4 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.584 -0.011 19176 242 1 4 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.702 -2.201 19176 243 1 4 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.042 18.674 19176 244 1 4 . 1 1 16 16 CYS H H 16 9.090 9.090 8.851 0.239 19176 245 1 4 . 1 1 17 17 THR HA H 17 4.472 4.472 4.696 -0.224 19176 246 1 4 . 1 1 17 17 THR CA C 17 61.147 61.147 61.790 -0.643 19176 247 1 4 . 1 1 17 17 THR CB C 17 70.436 70.436 71.615 -1.179 19176 248 1 4 . 1 1 17 17 THR H H 17 8.784 8.784 9.316 -0.532 19176 249 1 5 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.918 -0.038 19176 250 1 5 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.988 -0.071 19176 251 1 5 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.646 -0.874 19176 252 1 5 . 1 1 2 2 PHE H H 2 7.941 7.941 7.861 0.080 19176 253 1 5 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.262 0.084 19176 254 1 5 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.397 -1.935 19176 255 1 5 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.764 17.318 19176 256 1 5 . 1 1 3 3 CYS H H 3 8.708 8.708 8.357 0.351 19176 257 1 5 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.631 -0.048 19176 258 1 5 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.547 -0.476 19176 259 1 5 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.569 -1.254 19176 260 1 5 . 1 1 4 4 ARG H H 4 8.617 8.617 8.930 -0.313 19176 261 1 5 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.152 0.302 19176 262 1 5 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.877 -2.299 19176 263 1 5 . 1 1 5 5 CYS CB C 5 47.910 47.910 29.146 18.764 19176 264 1 5 . 1 1 5 5 CYS H H 5 9.031 9.031 8.559 0.472 19176 265 1 5 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.899 -0.221 19176 266 1 5 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.696 0.861 19176 267 1 5 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.435 -1.182 19176 268 1 5 . 1 1 6 6 LEU H H 6 8.684 8.684 9.305 -0.621 19176 269 1 5 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.429 0.035 19176 270 1 5 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.783 -2.227 19176 271 1 5 . 1 1 7 7 CYS CB C 7 47.723 47.723 29.898 17.825 19176 272 1 5 . 1 1 7 7 CYS H H 7 9.033 9.033 8.796 0.237 19176 273 1 5 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.575 -0.065 19176 274 1 5 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.337 0.216 19176 275 1 5 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.810 0.480 19176 276 1 5 . 1 1 8 8 ARG H H 8 8.554 8.554 9.047 -0.493 19176 277 1 5 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.014 -0.103 19176 278 1 5 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.008 0.241 19176 279 1 5 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.725 -0.445 19176 280 1 5 . 1 1 9 9 ARG H H 9 9.370 9.370 9.262 0.108 19176 281 1 5 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.771 0.581 19176 282 1 5 . 1 1 10 10 GLY H H 10 8.603 8.603 8.422 0.181 19176 283 1 5 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.731 0.231 19176 284 1 5 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.772 -1.365 19176 285 1 5 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.021 -0.900 19176 286 1 5 . 1 1 11 11 ASP H H 11 7.897 7.897 7.755 0.142 19176 287 1 5 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.427 -0.049 19176 288 1 5 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.499 -1.814 19176 289 1 5 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.914 17.998 19176 290 1 5 . 1 1 12 12 CYS H H 12 8.848 8.848 8.494 0.354 19176 291 1 5 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.726 -0.073 19176 292 1 5 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.401 -0.333 19176 293 1 5 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.028 -0.764 19176 294 1 5 . 1 1 13 13 ARG H H 13 8.595 8.595 9.393 -0.798 19176 295 1 5 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.137 0.351 19176 296 1 5 . 1 1 14 14 CYS CA C 14 55.661 55.661 57.981 -2.320 19176 297 1 5 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.194 19.709 19176 298 1 5 . 1 1 14 14 CYS H H 14 9.037 9.037 8.649 0.388 19176 299 1 5 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.568 -0.183 19176 300 1 5 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.280 0.119 19176 301 1 5 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.255 0.092 19176 302 1 5 . 1 1 15 15 ILE H H 15 8.761 8.761 9.236 -0.475 19176 303 1 5 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.650 -0.077 19176 304 1 5 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.294 -1.793 19176 305 1 5 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.442 18.274 19176 306 1 5 . 1 1 16 16 CYS H H 16 9.090 9.090 8.966 0.124 19176 307 1 5 . 1 1 17 17 THR HA H 17 4.472 4.472 4.637 -0.165 19176 308 1 5 . 1 1 17 17 THR CA C 17 61.147 61.147 61.751 -0.604 19176 309 1 5 . 1 1 17 17 THR CB C 17 70.436 70.436 70.580 -0.144 19176 310 1 5 . 1 1 17 17 THR H H 17 8.784 8.784 9.127 -0.343 19176 311 1 6 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.917 -0.037 19176 312 1 6 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.880 0.037 19176 313 1 6 . 1 1 2 2 PHE CB C 2 40.772 40.772 42.199 -1.427 19176 314 1 6 . 1 1 2 2 PHE H H 2 7.941 7.941 7.924 0.017 19176 315 1 6 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.537 -0.191 19176 316 1 6 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.096 -1.634 19176 317 1 6 . 1 1 3 3 CYS CB C 3 47.082 47.082 30.822 16.260 19176 318 1 6 . 1 1 3 3 CYS H H 3 8.708 8.708 7.991 0.717 19176 319 1 6 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.706 -0.123 19176 320 1 6 . 1 1 4 4 ARG CA C 4 55.071 55.071 53.791 1.280 19176 321 1 6 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.565 -1.250 19176 322 1 6 . 1 1 4 4 ARG H H 4 8.617 8.617 9.004 -0.387 19176 323 1 6 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.022 0.432 19176 324 1 6 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.029 -2.450 19176 325 1 6 . 1 1 5 5 CYS CB C 5 47.910 47.910 29.115 18.795 19176 326 1 6 . 1 1 5 5 CYS H H 5 9.031 9.031 8.459 0.572 19176 327 1 6 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.855 -0.177 19176 328 1 6 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.326 0.231 19176 329 1 6 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.458 -2.205 19176 330 1 6 . 1 1 6 6 LEU H H 6 8.684 8.684 9.209 -0.525 19176 331 1 6 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.143 0.321 19176 332 1 6 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.954 -2.398 19176 333 1 6 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.239 20.484 19176 334 1 6 . 1 1 7 7 CYS H H 7 9.033 9.033 8.824 0.209 19176 335 1 6 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.562 -0.052 19176 336 1 6 . 1 1 8 8 ARG CA C 8 55.553 55.553 53.664 1.889 19176 337 1 6 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.211 2.079 19176 338 1 6 . 1 1 8 8 ARG H H 8 8.554 8.554 9.020 -0.466 19176 339 1 6 . 1 1 9 9 ARG HA H 9 3.911 3.911 3.994 -0.083 19176 340 1 6 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.130 0.119 19176 341 1 6 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.653 -0.373 19176 342 1 6 . 1 1 9 9 ARG H H 9 9.370 9.370 9.323 0.047 19176 343 1 6 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.761 0.591 19176 344 1 6 . 1 1 10 10 GLY H H 10 8.603 8.603 8.435 0.168 19176 345 1 6 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.776 0.186 19176 346 1 6 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.199 -0.792 19176 347 1 6 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.790 -0.669 19176 348 1 6 . 1 1 11 11 ASP H H 11 7.897 7.897 7.784 0.113 19176 349 1 6 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.350 0.028 19176 350 1 6 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.895 -2.209 19176 351 1 6 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.108 19.805 19176 352 1 6 . 1 1 12 12 CYS H H 12 8.848 8.848 8.460 0.388 19176 353 1 6 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.727 -0.074 19176 354 1 6 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.276 0.792 19176 355 1 6 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.920 -1.656 19176 356 1 6 . 1 1 13 13 ARG H H 13 8.595 8.595 9.336 -0.741 19176 357 1 6 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.055 0.433 19176 358 1 6 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.177 -2.516 19176 359 1 6 . 1 1 14 14 CYS CB C 14 47.903 47.903 29.082 18.820 19176 360 1 6 . 1 1 14 14 CYS H H 14 9.037 9.037 8.542 0.495 19176 361 1 6 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.385 0.000 19176 362 1 6 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.798 -0.399 19176 363 1 6 . 1 1 15 15 ILE CB C 15 40.347 40.347 38.717 1.630 19176 364 1 6 . 1 1 15 15 ILE H H 15 8.761 8.761 9.255 -0.494 19176 365 1 6 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.658 -0.085 19176 366 1 6 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.624 -2.123 19176 367 1 6 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.831 17.885 19176 368 1 6 . 1 1 16 16 CYS H H 16 9.090 9.090 8.982 0.108 19176 369 1 6 . 1 1 17 17 THR HA H 17 4.472 4.472 4.665 -0.193 19176 370 1 6 . 1 1 17 17 THR CA C 17 61.147 61.147 61.728 -0.581 19176 371 1 6 . 1 1 17 17 THR CB C 17 70.436 70.436 70.929 -0.493 19176 372 1 6 . 1 1 17 17 THR H H 17 8.784 8.784 9.209 -0.425 19176 373 1 7 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.860 0.020 19176 374 1 7 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.036 -0.119 19176 375 1 7 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.961 -1.189 19176 376 1 7 . 1 1 2 2 PHE H H 2 7.941 7.941 7.983 -0.042 19176 377 1 7 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.238 0.108 19176 378 1 7 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.968 -2.506 19176 379 1 7 . 1 1 3 3 CYS CB C 3 47.082 47.082 27.070 20.012 19176 380 1 7 . 1 1 3 3 CYS H H 3 8.708 8.708 8.037 0.671 19176 381 1 7 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.861 -0.278 19176 382 1 7 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.127 -0.056 19176 383 1 7 . 1 1 4 4 ARG CB C 4 32.315 32.315 34.166 -1.851 19176 384 1 7 . 1 1 4 4 ARG H H 4 8.617 8.617 9.104 -0.487 19176 385 1 7 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.197 0.257 19176 386 1 7 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.432 -1.853 19176 387 1 7 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.841 20.069 19176 388 1 7 . 1 1 5 5 CYS H H 5 9.031 9.031 8.658 0.373 19176 389 1 7 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.814 -0.136 19176 390 1 7 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.893 0.664 19176 391 1 7 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.611 -1.358 19176 392 1 7 . 1 1 6 6 LEU H H 6 8.684 8.684 9.123 -0.439 19176 393 1 7 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.358 0.106 19176 394 1 7 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.545 -1.990 19176 395 1 7 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.319 19.404 19176 396 1 7 . 1 1 7 7 CYS H H 7 9.033 9.033 8.456 0.577 19176 397 1 7 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.544 -0.034 19176 398 1 7 . 1 1 8 8 ARG CA C 8 55.553 55.553 53.938 1.615 19176 399 1 7 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.357 1.933 19176 400 1 7 . 1 1 8 8 ARG H H 8 8.554 8.554 8.987 -0.433 19176 401 1 7 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.031 -0.120 19176 402 1 7 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.632 0.617 19176 403 1 7 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.360 -0.080 19176 404 1 7 . 1 1 9 9 ARG H H 9 9.370 9.370 9.189 0.181 19176 405 1 7 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.797 0.555 19176 406 1 7 . 1 1 10 10 GLY H H 10 8.603 8.603 8.437 0.166 19176 407 1 7 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.806 0.156 19176 408 1 7 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.275 -0.868 19176 409 1 7 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.930 -0.809 19176 410 1 7 . 1 1 11 11 ASP H H 11 7.897 7.897 7.703 0.194 19176 411 1 7 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.271 0.107 19176 412 1 7 . 1 1 12 12 CYS CA C 12 55.685 55.685 58.034 -2.349 19176 413 1 7 . 1 1 12 12 CYS CB C 12 46.912 46.912 26.841 20.071 19176 414 1 7 . 1 1 12 12 CYS H H 12 8.848 8.848 8.463 0.385 19176 415 1 7 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.748 -0.095 19176 416 1 7 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.362 -0.294 19176 417 1 7 . 1 1 13 13 ARG CB C 13 32.264 32.264 34.077 -1.813 19176 418 1 7 . 1 1 13 13 ARG H H 13 8.595 8.595 9.242 -0.647 19176 419 1 7 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.188 0.300 19176 420 1 7 . 1 1 14 14 CYS CA C 14 55.661 55.661 57.808 -2.147 19176 421 1 7 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.209 20.695 19176 422 1 7 . 1 1 14 14 CYS H H 14 9.037 9.037 8.647 0.390 19176 423 1 7 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.516 -0.131 19176 424 1 7 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.564 0.835 19176 425 1 7 . 1 1 15 15 ILE CB C 15 40.347 40.347 42.522 -2.175 19176 426 1 7 . 1 1 15 15 ILE H H 15 8.761 8.761 9.183 -0.422 19176 427 1 7 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.285 0.288 19176 428 1 7 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.779 -2.278 19176 429 1 7 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.820 19.896 19176 430 1 7 . 1 1 16 16 CYS H H 16 9.090 9.090 8.649 0.441 19176 431 1 7 . 1 1 17 17 THR HA H 17 4.472 4.472 4.710 -0.238 19176 432 1 7 . 1 1 17 17 THR CA C 17 61.147 61.147 61.561 -0.414 19176 433 1 7 . 1 1 17 17 THR CB C 17 70.436 70.436 71.022 -0.586 19176 434 1 7 . 1 1 17 17 THR H H 17 8.784 8.784 9.123 -0.339 19176 435 1 8 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.910 -0.030 19176 436 1 8 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.810 0.107 19176 437 1 8 . 1 1 2 2 PHE CB C 2 40.772 40.772 42.535 -1.763 19176 438 1 8 . 1 1 2 2 PHE H H 2 7.941 7.941 7.884 0.057 19176 439 1 8 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.403 -0.057 19176 440 1 8 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.449 -1.987 19176 441 1 8 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.300 18.782 19176 442 1 8 . 1 1 3 3 CYS H H 3 8.708 8.708 8.098 0.610 19176 443 1 8 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.852 -0.269 19176 444 1 8 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.498 0.573 19176 445 1 8 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.233 0.082 19176 446 1 8 . 1 1 4 4 ARG H H 4 8.617 8.617 9.219 -0.602 19176 447 1 8 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.248 0.206 19176 448 1 8 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.769 -2.190 19176 449 1 8 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.576 19.334 19176 450 1 8 . 1 1 5 5 CYS H H 5 9.031 9.031 8.818 0.213 19176 451 1 8 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.915 -0.237 19176 452 1 8 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.813 0.744 19176 453 1 8 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.493 -2.240 19176 454 1 8 . 1 1 6 6 LEU H H 6 8.684 8.684 9.296 -0.612 19176 455 1 8 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.392 0.072 19176 456 1 8 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.533 -1.977 19176 457 1 8 . 1 1 7 7 CYS CB C 7 47.723 47.723 29.030 18.693 19176 458 1 8 . 1 1 7 7 CYS H H 7 9.033 9.033 8.638 0.395 19176 459 1 8 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.739 -0.229 19176 460 1 8 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.796 0.757 19176 461 1 8 . 1 1 8 8 ARG CB C 8 32.290 32.290 32.549 -0.259 19176 462 1 8 . 1 1 8 8 ARG H H 8 8.554 8.554 9.028 -0.474 19176 463 1 8 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.021 -0.110 19176 464 1 8 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.407 -0.158 19176 465 1 8 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.831 -0.551 19176 466 1 8 . 1 1 9 9 ARG H H 9 9.370 9.370 9.268 0.102 19176 467 1 8 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.713 0.639 19176 468 1 8 . 1 1 10 10 GLY H H 10 8.603 8.603 8.175 0.428 19176 469 1 8 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.888 0.074 19176 470 1 8 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.061 -0.654 19176 471 1 8 . 1 1 11 11 ASP CB C 11 40.121 40.121 42.203 -2.082 19176 472 1 8 . 1 1 11 11 ASP H H 11 7.897 7.897 8.110 -0.213 19176 473 1 8 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.043 0.335 19176 474 1 8 . 1 1 12 12 CYS CA C 12 55.685 55.685 58.701 -3.016 19176 475 1 8 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.120 18.792 19176 476 1 8 . 1 1 12 12 CYS H H 12 8.848 8.848 8.933 -0.085 19176 477 1 8 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.737 -0.084 19176 478 1 8 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.711 -0.643 19176 479 1 8 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.899 -1.635 19176 480 1 8 . 1 1 13 13 ARG H H 13 8.595 8.595 9.203 -0.608 19176 481 1 8 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.028 0.460 19176 482 1 8 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.067 -2.406 19176 483 1 8 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.988 18.915 19176 484 1 8 . 1 1 14 14 CYS H H 14 9.037 9.037 8.604 0.433 19176 485 1 8 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.437 -0.052 19176 486 1 8 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.313 1.086 19176 487 1 8 . 1 1 15 15 ILE CB C 15 40.347 40.347 39.465 0.882 19176 488 1 8 . 1 1 15 15 ILE H H 15 8.761 8.761 9.229 -0.468 19176 489 1 8 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.653 -0.080 19176 490 1 8 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.711 -2.209 19176 491 1 8 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.426 17.290 19176 492 1 8 . 1 1 16 16 CYS H H 16 9.090 9.090 8.840 0.250 19176 493 1 8 . 1 1 17 17 THR HA H 17 4.472 4.472 4.604 -0.132 19176 494 1 8 . 1 1 17 17 THR CA C 17 61.147 61.147 61.927 -0.780 19176 495 1 8 . 1 1 17 17 THR CB C 17 70.436 70.436 70.475 -0.039 19176 496 1 8 . 1 1 17 17 THR H H 17 8.784 8.784 9.346 -0.562 19176 497 1 9 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.792 0.088 19176 498 1 9 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.579 -0.662 19176 499 1 9 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.174 -0.402 19176 500 1 9 . 1 1 2 2 PHE H H 2 7.941 7.941 7.847 0.094 19176 501 1 9 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.423 -0.077 19176 502 1 9 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.299 -1.837 19176 503 1 9 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.836 17.246 19176 504 1 9 . 1 1 3 3 CYS H H 3 8.708 8.708 8.201 0.507 19176 505 1 9 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.681 -0.098 19176 506 1 9 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.650 -0.579 19176 507 1 9 . 1 1 4 4 ARG CB C 4 32.315 32.315 34.030 -1.715 19176 508 1 9 . 1 1 4 4 ARG H H 4 8.617 8.617 9.147 -0.530 19176 509 1 9 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.017 0.437 19176 510 1 9 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.076 -2.497 19176 511 1 9 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.177 19.733 19176 512 1 9 . 1 1 5 5 CYS H H 5 9.031 9.031 8.558 0.473 19176 513 1 9 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.768 -0.090 19176 514 1 9 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.920 0.637 19176 515 1 9 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.932 -1.679 19176 516 1 9 . 1 1 6 6 LEU H H 6 8.684 8.684 9.125 -0.441 19176 517 1 9 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.087 0.377 19176 518 1 9 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.928 -2.372 19176 519 1 9 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.327 20.396 19176 520 1 9 . 1 1 7 7 CYS H H 7 9.033 9.033 9.004 0.029 19176 521 1 9 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.545 -0.035 19176 522 1 9 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.641 0.912 19176 523 1 9 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.705 1.585 19176 524 1 9 . 1 1 8 8 ARG H H 8 8.554 8.554 9.092 -0.538 19176 525 1 9 . 1 1 9 9 ARG HA H 9 3.911 3.911 3.980 -0.069 19176 526 1 9 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.111 0.138 19176 527 1 9 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.607 -0.327 19176 528 1 9 . 1 1 9 9 ARG H H 9 9.370 9.370 9.391 -0.021 19176 529 1 9 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.713 0.639 19176 530 1 9 . 1 1 10 10 GLY H H 10 8.603 8.603 8.439 0.164 19176 531 1 9 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.782 0.180 19176 532 1 9 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.635 -1.228 19176 533 1 9 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.094 -0.973 19176 534 1 9 . 1 1 11 11 ASP H H 11 7.897 7.897 7.784 0.113 19176 535 1 9 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.489 -0.111 19176 536 1 9 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.591 -1.906 19176 537 1 9 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.441 18.471 19176 538 1 9 . 1 1 12 12 CYS H H 12 8.848 8.848 8.569 0.279 19176 539 1 9 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.691 -0.038 19176 540 1 9 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.815 -0.747 19176 541 1 9 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.679 -1.415 19176 542 1 9 . 1 1 13 13 ARG H H 13 8.595 8.595 9.175 -0.580 19176 543 1 9 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.904 0.584 19176 544 1 9 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.539 -2.878 19176 545 1 9 . 1 1 14 14 CYS CB C 14 47.903 47.903 26.996 20.907 19176 546 1 9 . 1 1 14 14 CYS H H 14 9.037 9.037 8.570 0.467 19176 547 1 9 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.577 -0.192 19176 548 1 9 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.580 0.820 19176 549 1 9 . 1 1 15 15 ILE CB C 15 40.347 40.347 42.541 -2.194 19176 550 1 9 . 1 1 15 15 ILE H H 15 8.761 8.761 9.155 -0.394 19176 551 1 9 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.544 0.029 19176 552 1 9 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.673 -2.172 19176 553 1 9 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.577 18.139 19176 554 1 9 . 1 1 16 16 CYS H H 16 9.090 9.090 8.780 0.310 19176 555 1 9 . 1 1 17 17 THR HA H 17 4.472 4.472 4.623 -0.151 19176 556 1 9 . 1 1 17 17 THR CA C 17 61.147 61.147 61.192 -0.045 19176 557 1 9 . 1 1 17 17 THR CB C 17 70.436 70.436 70.820 -0.384 19176 558 1 9 . 1 1 17 17 THR H H 17 8.784 8.784 9.228 -0.444 19176 559 1 10 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.831 0.049 19176 560 1 10 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.292 -0.375 19176 561 1 10 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.944 -1.172 19176 562 1 10 . 1 1 2 2 PHE H H 2 7.941 7.941 8.029 -0.088 19176 563 1 10 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.481 -0.135 19176 564 1 10 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.279 -1.817 19176 565 1 10 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.101 17.981 19176 566 1 10 . 1 1 3 3 CYS H H 3 8.708 8.708 8.158 0.550 19176 567 1 10 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.836 -0.253 19176 568 1 10 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.410 0.661 19176 569 1 10 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.208 0.107 19176 570 1 10 . 1 1 4 4 ARG H H 4 8.617 8.617 9.245 -0.628 19176 571 1 10 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.011 0.443 19176 572 1 10 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.886 -2.307 19176 573 1 10 . 1 1 5 5 CYS CB C 5 47.910 47.910 29.471 18.439 19176 574 1 10 . 1 1 5 5 CYS H H 5 9.031 9.031 8.649 0.382 19176 575 1 10 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.763 -0.085 19176 576 1 10 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.810 0.746 19176 577 1 10 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.990 -0.738 19176 578 1 10 . 1 1 6 6 LEU H H 6 8.684 8.684 9.124 -0.440 19176 579 1 10 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.228 0.236 19176 580 1 10 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.009 -2.453 19176 581 1 10 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.023 19.700 19176 582 1 10 . 1 1 7 7 CYS H H 7 9.033 9.033 8.965 0.068 19176 583 1 10 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.525 -0.015 19176 584 1 10 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.954 0.599 19176 585 1 10 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.809 1.481 19176 586 1 10 . 1 1 8 8 ARG H H 8 8.554 8.554 9.003 -0.449 19176 587 1 10 . 1 1 9 9 ARG HA H 9 3.911 3.911 3.989 -0.078 19176 588 1 10 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.713 0.536 19176 589 1 10 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.319 -0.039 19176 590 1 10 . 1 1 9 9 ARG H H 9 9.370 9.370 9.362 0.008 19176 591 1 10 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.688 0.664 19176 592 1 10 . 1 1 10 10 GLY H H 10 8.603 8.603 8.354 0.249 19176 593 1 10 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.758 0.204 19176 594 1 10 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.738 -1.331 19176 595 1 10 . 1 1 11 11 ASP CB C 11 40.121 40.121 40.724 -0.603 19176 596 1 10 . 1 1 11 11 ASP H H 11 7.897 7.897 7.788 0.109 19176 597 1 10 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.476 -0.098 19176 598 1 10 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.833 -2.148 19176 599 1 10 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.115 18.797 19176 600 1 10 . 1 1 12 12 CYS H H 12 8.848 8.848 8.370 0.478 19176 601 1 10 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.652 0.001 19176 602 1 10 . 1 1 13 13 ARG CA C 13 55.068 55.068 56.076 -1.008 19176 603 1 10 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.667 -1.403 19176 604 1 10 . 1 1 13 13 ARG H H 13 8.595 8.595 9.202 -0.607 19176 605 1 10 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.706 0.782 19176 606 1 10 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.270 -2.609 19176 607 1 10 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.581 19.323 19176 608 1 10 . 1 1 14 14 CYS H H 14 9.037 9.037 8.634 0.403 19176 609 1 10 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.437 -0.052 19176 610 1 10 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.376 1.023 19176 611 1 10 . 1 1 15 15 ILE CB C 15 40.347 40.347 39.127 1.220 19176 612 1 10 . 1 1 15 15 ILE H H 15 8.761 8.761 9.059 -0.298 19176 613 1 10 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.665 -0.092 19176 614 1 10 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.699 -2.198 19176 615 1 10 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.005 17.711 19176 616 1 10 . 1 1 16 16 CYS H H 16 9.090 9.090 8.951 0.139 19176 617 1 10 . 1 1 17 17 THR HA H 17 4.472 4.472 4.619 -0.147 19176 618 1 10 . 1 1 17 17 THR CA C 17 61.147 61.147 61.599 -0.452 19176 619 1 10 . 1 1 17 17 THR CB C 17 70.436 70.436 70.082 0.354 19176 620 1 10 . 1 1 17 17 THR H H 17 8.784 8.784 9.249 -0.465 19176 621 1 11 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.763 0.117 19176 622 1 11 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.703 -0.786 19176 623 1 11 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.387 0.385 19176 624 1 11 . 1 1 2 2 PHE H H 2 7.941 7.941 8.052 -0.111 19176 625 1 11 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.283 0.063 19176 626 1 11 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.137 -1.675 19176 627 1 11 . 1 1 3 3 CYS CB C 3 47.082 47.082 30.805 16.277 19176 628 1 11 . 1 1 3 3 CYS H H 3 8.708 8.708 8.339 0.369 19176 629 1 11 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.602 -0.019 19176 630 1 11 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.028 1.043 19176 631 1 11 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.824 -0.509 19176 632 1 11 . 1 1 4 4 ARG H H 4 8.617 8.617 8.925 -0.308 19176 633 1 11 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.221 0.233 19176 634 1 11 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.894 -2.315 19176 635 1 11 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.665 19.245 19176 636 1 11 . 1 1 5 5 CYS H H 5 9.031 9.031 8.509 0.522 19176 637 1 11 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.815 -0.137 19176 638 1 11 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.357 0.200 19176 639 1 11 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.463 -2.210 19176 640 1 11 . 1 1 6 6 LEU H H 6 8.684 8.684 9.270 -0.586 19176 641 1 11 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.169 0.295 19176 642 1 11 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.220 -2.664 19176 643 1 11 . 1 1 7 7 CYS CB C 7 47.723 47.723 26.682 21.041 19176 644 1 11 . 1 1 7 7 CYS H H 7 9.033 9.033 8.795 0.238 19176 645 1 11 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.528 -0.018 19176 646 1 11 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.129 1.424 19176 647 1 11 . 1 1 8 8 ARG CB C 8 32.290 32.290 30.610 1.680 19176 648 1 11 . 1 1 8 8 ARG H H 8 8.554 8.554 9.043 -0.489 19176 649 1 11 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.018 -0.107 19176 650 1 11 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.185 0.063 19176 651 1 11 . 1 1 9 9 ARG CB C 9 28.280 28.280 29.092 -0.812 19176 652 1 11 . 1 1 9 9 ARG H H 9 9.370 9.370 9.398 -0.028 19176 653 1 11 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.684 0.669 19176 654 1 11 . 1 1 10 10 GLY H H 10 8.603 8.603 8.303 0.300 19176 655 1 11 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.820 0.142 19176 656 1 11 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.303 -0.896 19176 657 1 11 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.067 -0.946 19176 658 1 11 . 1 1 11 11 ASP H H 11 7.897 7.897 7.797 0.100 19176 659 1 11 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.148 0.230 19176 660 1 11 . 1 1 12 12 CYS CA C 12 55.685 55.685 58.279 -2.594 19176 661 1 11 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.291 19.621 19176 662 1 11 . 1 1 12 12 CYS H H 12 8.848 8.848 8.536 0.312 19176 663 1 11 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.711 -0.058 19176 664 1 11 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.736 -0.668 19176 665 1 11 . 1 1 13 13 ARG CB C 13 32.264 32.264 34.169 -1.905 19176 666 1 11 . 1 1 13 13 ARG H H 13 8.595 8.595 8.969 -0.374 19176 667 1 11 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.026 0.462 19176 668 1 11 . 1 1 14 14 CYS CA C 14 55.661 55.661 57.929 -2.268 19176 669 1 11 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.824 19.079 19176 670 1 11 . 1 1 14 14 CYS H H 14 9.037 9.037 8.611 0.426 19176 671 1 11 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.372 0.013 19176 672 1 11 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.565 0.834 19176 673 1 11 . 1 1 15 15 ILE CB C 15 40.347 40.347 37.314 3.033 19176 674 1 11 . 1 1 15 15 ILE H H 15 8.761 8.761 9.133 -0.372 19176 675 1 11 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.675 -0.102 19176 676 1 11 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.397 -1.896 19176 677 1 11 . 1 1 16 16 CYS CB C 16 47.716 47.716 31.835 15.881 19176 678 1 11 . 1 1 16 16 CYS H H 16 9.090 9.090 8.780 0.310 19176 679 1 11 . 1 1 17 17 THR HA H 17 4.472 4.472 4.585 -0.113 19176 680 1 11 . 1 1 17 17 THR CA C 17 61.147 61.147 61.715 -0.568 19176 681 1 11 . 1 1 17 17 THR CB C 17 70.436 70.436 70.030 0.406 19176 682 1 11 . 1 1 17 17 THR H H 17 8.784 8.784 9.174 -0.390 19176 683 1 12 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.939 -0.059 19176 684 1 12 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.339 0.578 19176 685 1 12 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.504 -0.732 19176 686 1 12 . 1 1 2 2 PHE H H 2 7.941 7.941 7.877 0.064 19176 687 1 12 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.064 0.282 19176 688 1 12 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.301 -1.839 19176 689 1 12 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.980 18.102 19176 690 1 12 . 1 1 3 3 CYS H H 3 8.708 8.708 8.535 0.173 19176 691 1 12 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.506 0.077 19176 692 1 12 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.414 -0.344 19176 693 1 12 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.864 -0.549 19176 694 1 12 . 1 1 4 4 ARG H H 4 8.617 8.617 8.583 0.034 19176 695 1 12 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.181 0.273 19176 696 1 12 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.461 -1.882 19176 697 1 12 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.214 19.696 19176 698 1 12 . 1 1 5 5 CYS H H 5 9.031 9.031 8.566 0.465 19176 699 1 12 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.949 -0.271 19176 700 1 12 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.651 0.906 19176 701 1 12 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.457 -0.204 19176 702 1 12 . 1 1 6 6 LEU H H 6 8.684 8.684 9.062 -0.378 19176 703 1 12 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.156 0.308 19176 704 1 12 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.364 -2.808 19176 705 1 12 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.298 19.425 19176 706 1 12 . 1 1 7 7 CYS H H 7 9.033 9.033 8.586 0.447 19176 707 1 12 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.537 -0.027 19176 708 1 12 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.193 0.360 19176 709 1 12 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.991 0.299 19176 710 1 12 . 1 1 8 8 ARG H H 8 8.554 8.554 9.096 -0.542 19176 711 1 12 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.060 -0.149 19176 712 1 12 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.982 0.267 19176 713 1 12 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.688 -0.408 19176 714 1 12 . 1 1 9 9 ARG H H 9 9.370 9.370 9.460 -0.090 19176 715 1 12 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.866 0.486 19176 716 1 12 . 1 1 10 10 GLY H H 10 8.603 8.603 8.482 0.121 19176 717 1 12 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.887 0.075 19176 718 1 12 . 1 1 11 11 ASP CA C 11 52.407 52.407 52.735 -0.328 19176 719 1 12 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.316 -1.195 19176 720 1 12 . 1 1 11 11 ASP H H 11 7.897 7.897 7.770 0.127 19176 721 1 12 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.396 -0.018 19176 722 1 12 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.928 -2.243 19176 723 1 12 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.080 18.832 19176 724 1 12 . 1 1 12 12 CYS H H 12 8.848 8.848 8.745 0.103 19176 725 1 12 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.714 -0.061 19176 726 1 12 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.194 -0.126 19176 727 1 12 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.489 -1.225 19176 728 1 12 . 1 1 13 13 ARG H H 13 8.595 8.595 9.310 -0.715 19176 729 1 12 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.873 0.615 19176 730 1 12 . 1 1 14 14 CYS CA C 14 55.661 55.661 57.943 -2.282 19176 731 1 12 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.848 19.055 19176 732 1 12 . 1 1 14 14 CYS H H 14 9.037 9.037 8.636 0.401 19176 733 1 12 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.350 0.035 19176 734 1 12 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.241 1.158 19176 735 1 12 . 1 1 15 15 ILE CB C 15 40.347 40.347 36.133 4.214 19176 736 1 12 . 1 1 15 15 ILE H H 15 8.761 8.761 9.037 -0.276 19176 737 1 12 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.518 0.055 19176 738 1 12 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.549 -2.048 19176 739 1 12 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.327 18.389 19176 740 1 12 . 1 1 16 16 CYS H H 16 9.090 9.090 8.822 0.268 19176 741 1 12 . 1 1 17 17 THR HA H 17 4.472 4.472 4.616 -0.144 19176 742 1 12 . 1 1 17 17 THR CA C 17 61.147 61.147 61.800 -0.653 19176 743 1 12 . 1 1 17 17 THR CB C 17 70.436 70.436 70.948 -0.512 19176 744 1 12 . 1 1 17 17 THR H H 17 8.784 8.784 9.111 -0.327 19176 745 1 13 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.840 0.040 19176 746 1 13 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.048 -0.131 19176 747 1 13 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.883 -0.111 19176 748 1 13 . 1 1 2 2 PHE H H 2 7.941 7.941 7.818 0.123 19176 749 1 13 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.208 0.138 19176 750 1 13 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.634 -2.172 19176 751 1 13 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.577 18.505 19176 752 1 13 . 1 1 3 3 CYS H H 3 8.708 8.708 8.535 0.173 19176 753 1 13 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.634 -0.051 19176 754 1 13 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.914 0.157 19176 755 1 13 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.836 -0.521 19176 756 1 13 . 1 1 4 4 ARG H H 4 8.617 8.617 9.224 -0.607 19176 757 1 13 . 1 1 5 5 CYS HA H 5 5.454 5.454 4.992 0.462 19176 758 1 13 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.734 -3.155 19176 759 1 13 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.261 19.649 19176 760 1 13 . 1 1 5 5 CYS H H 5 9.031 9.031 8.722 0.309 19176 761 1 13 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.857 -0.179 19176 762 1 13 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.357 0.200 19176 763 1 13 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.906 -2.653 19176 764 1 13 . 1 1 6 6 LEU H H 6 8.684 8.684 9.304 -0.620 19176 765 1 13 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.522 -0.058 19176 766 1 13 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.819 -2.263 19176 767 1 13 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.904 19.819 19176 768 1 13 . 1 1 7 7 CYS H H 7 9.033 9.033 8.725 0.308 19176 769 1 13 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.565 -0.055 19176 770 1 13 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.498 0.055 19176 771 1 13 . 1 1 8 8 ARG CB C 8 32.290 32.290 33.245 -0.955 19176 772 1 13 . 1 1 8 8 ARG H H 8 8.554 8.554 9.147 -0.593 19176 773 1 13 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.062 -0.151 19176 774 1 13 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.718 0.531 19176 775 1 13 . 1 1 9 9 ARG CB C 9 28.280 28.280 29.154 -0.874 19176 776 1 13 . 1 1 9 9 ARG H H 9 9.370 9.370 9.277 0.093 19176 777 1 13 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.654 0.698 19176 778 1 13 . 1 1 10 10 GLY H H 10 8.603 8.603 8.216 0.387 19176 779 1 13 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.940 0.022 19176 780 1 13 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.016 -0.609 19176 781 1 13 . 1 1 11 11 ASP CB C 11 40.121 40.121 42.880 -2.759 19176 782 1 13 . 1 1 11 11 ASP H H 11 7.897 7.897 7.727 0.170 19176 783 1 13 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.546 -0.168 19176 784 1 13 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.837 -2.152 19176 785 1 13 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.420 18.492 19176 786 1 13 . 1 1 12 12 CYS H H 12 8.848 8.848 8.918 -0.070 19176 787 1 13 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.778 -0.125 19176 788 1 13 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.780 0.288 19176 789 1 13 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.121 0.143 19176 790 1 13 . 1 1 13 13 ARG H H 13 8.595 8.595 9.265 -0.670 19176 791 1 13 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.764 0.724 19176 792 1 13 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.305 -2.644 19176 793 1 13 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.472 19.431 19176 794 1 13 . 1 1 14 14 CYS H H 14 9.037 9.037 8.570 0.467 19176 795 1 13 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.470 -0.085 19176 796 1 13 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.170 0.229 19176 797 1 13 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.721 -1.375 19176 798 1 13 . 1 1 15 15 ILE H H 15 8.761 8.761 8.817 -0.056 19176 799 1 13 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.483 0.090 19176 800 1 13 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.632 -2.131 19176 801 1 13 . 1 1 16 16 CYS CB C 16 47.716 47.716 31.114 16.602 19176 802 1 13 . 1 1 16 16 CYS H H 16 9.090 9.090 8.810 0.280 19176 803 1 13 . 1 1 17 17 THR HA H 17 4.472 4.472 4.669 -0.197 19176 804 1 13 . 1 1 17 17 THR CA C 17 61.147 61.147 61.794 -0.647 19176 805 1 13 . 1 1 17 17 THR CB C 17 70.436 70.436 70.659 -0.223 19176 806 1 13 . 1 1 17 17 THR H H 17 8.784 8.784 9.147 -0.363 19176 807 1 14 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.894 -0.014 19176 808 1 14 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.005 -0.088 19176 809 1 14 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.994 -1.222 19176 810 1 14 . 1 1 2 2 PHE H H 2 7.941 7.941 7.809 0.132 19176 811 1 14 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.354 -0.008 19176 812 1 14 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.430 -1.968 19176 813 1 14 . 1 1 3 3 CYS CB C 3 47.082 47.082 30.302 16.780 19176 814 1 14 . 1 1 3 3 CYS H H 3 8.708 8.708 8.001 0.707 19176 815 1 14 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.694 -0.111 19176 816 1 14 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.437 0.634 19176 817 1 14 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.087 -0.772 19176 818 1 14 . 1 1 4 4 ARG H H 4 8.617 8.617 9.049 -0.432 19176 819 1 14 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.139 0.315 19176 820 1 14 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.633 -2.054 19176 821 1 14 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.142 19.768 19176 822 1 14 . 1 1 5 5 CYS H H 5 9.031 9.031 8.609 0.422 19176 823 1 14 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.834 -0.156 19176 824 1 14 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.245 0.312 19176 825 1 14 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.763 -1.510 19176 826 1 14 . 1 1 6 6 LEU H H 6 8.684 8.684 9.191 -0.507 19176 827 1 14 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.340 0.124 19176 828 1 14 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.390 -1.834 19176 829 1 14 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.761 19.962 19176 830 1 14 . 1 1 7 7 CYS H H 7 9.033 9.033 8.623 0.410 19176 831 1 14 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.459 0.051 19176 832 1 14 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.362 0.191 19176 833 1 14 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.341 0.949 19176 834 1 14 . 1 1 8 8 ARG H H 8 8.554 8.554 9.093 -0.539 19176 835 1 14 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.036 -0.125 19176 836 1 14 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.376 0.873 19176 837 1 14 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.266 0.014 19176 838 1 14 . 1 1 9 9 ARG H H 9 9.370 9.370 9.422 -0.052 19176 839 1 14 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.758 0.594 19176 840 1 14 . 1 1 10 10 GLY H H 10 8.603 8.603 8.406 0.197 19176 841 1 14 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.896 0.066 19176 842 1 14 . 1 1 11 11 ASP CA C 11 52.407 52.407 52.926 -0.519 19176 843 1 14 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.757 -1.636 19176 844 1 14 . 1 1 11 11 ASP H H 11 7.897 7.897 7.788 0.109 19176 845 1 14 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.071 0.307 19176 846 1 14 . 1 1 12 12 CYS CA C 12 55.685 55.685 58.273 -2.588 19176 847 1 14 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.034 19.878 19176 848 1 14 . 1 1 12 12 CYS H H 12 8.848 8.848 8.849 -0.001 19176 849 1 14 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.845 -0.192 19176 850 1 14 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.444 0.624 19176 851 1 14 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.454 -0.190 19176 852 1 14 . 1 1 13 13 ARG H H 13 8.595 8.595 9.071 -0.476 19176 853 1 14 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.080 0.408 19176 854 1 14 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.159 -2.498 19176 855 1 14 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.424 19.479 19176 856 1 14 . 1 1 14 14 CYS H H 14 9.037 9.037 8.587 0.450 19176 857 1 14 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.474 -0.089 19176 858 1 14 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.474 -0.075 19176 859 1 14 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.079 -0.732 19176 860 1 14 . 1 1 15 15 ILE H H 15 8.761 8.761 9.198 -0.437 19176 861 1 14 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.669 -0.096 19176 862 1 14 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.685 -2.184 19176 863 1 14 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.958 16.758 19176 864 1 14 . 1 1 16 16 CYS H H 16 9.090 9.090 8.802 0.288 19176 865 1 14 . 1 1 17 17 THR HA H 17 4.472 4.472 4.661 -0.189 19176 866 1 14 . 1 1 17 17 THR CA C 17 61.147 61.147 62.071 -0.924 19176 867 1 14 . 1 1 17 17 THR CB C 17 70.436 70.436 71.580 -1.144 19176 868 1 14 . 1 1 17 17 THR H H 17 8.784 8.784 9.313 -0.529 19176 869 1 15 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.902 -0.022 19176 870 1 15 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.663 0.254 19176 871 1 15 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.549 -0.777 19176 872 1 15 . 1 1 2 2 PHE H H 2 7.941 7.941 7.797 0.144 19176 873 1 15 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.027 0.319 19176 874 1 15 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.530 -2.068 19176 875 1 15 . 1 1 3 3 CYS CB C 3 47.082 47.082 27.863 19.219 19176 876 1 15 . 1 1 3 3 CYS H H 3 8.708 8.708 8.435 0.273 19176 877 1 15 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.651 -0.068 19176 878 1 15 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.483 0.587 19176 879 1 15 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.306 0.009 19176 880 1 15 . 1 1 4 4 ARG H H 4 8.617 8.617 9.063 -0.446 19176 881 1 15 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.102 0.352 19176 882 1 15 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.228 -2.649 19176 883 1 15 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.127 20.783 19176 884 1 15 . 1 1 5 5 CYS H H 5 9.031 9.031 8.659 0.372 19176 885 1 15 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.809 -0.131 19176 886 1 15 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.799 0.758 19176 887 1 15 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.268 -2.015 19176 888 1 15 . 1 1 6 6 LEU H H 6 8.684 8.684 9.289 -0.605 19176 889 1 15 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.266 0.198 19176 890 1 15 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.904 -2.348 19176 891 1 15 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.056 19.667 19176 892 1 15 . 1 1 7 7 CYS H H 7 9.033 9.033 8.902 0.131 19176 893 1 15 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.477 0.033 19176 894 1 15 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.070 0.483 19176 895 1 15 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.037 1.253 19176 896 1 15 . 1 1 8 8 ARG H H 8 8.554 8.554 9.052 -0.498 19176 897 1 15 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.049 -0.138 19176 898 1 15 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.280 -0.031 19176 899 1 15 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.895 -0.615 19176 900 1 15 . 1 1 9 9 ARG H H 9 9.370 9.370 9.269 0.101 19176 901 1 15 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.715 0.637 19176 902 1 15 . 1 1 10 10 GLY H H 10 8.603 8.603 8.466 0.137 19176 903 1 15 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.814 0.148 19176 904 1 15 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.849 -1.442 19176 905 1 15 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.438 -1.317 19176 906 1 15 . 1 1 11 11 ASP H H 11 7.897 7.897 7.800 0.097 19176 907 1 15 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.599 -0.221 19176 908 1 15 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.615 -1.930 19176 909 1 15 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.855 18.057 19176 910 1 15 . 1 1 12 12 CYS H H 12 8.848 8.848 8.648 0.200 19176 911 1 15 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.715 -0.062 19176 912 1 15 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.070 -0.002 19176 913 1 15 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.083 0.181 19176 914 1 15 . 1 1 13 13 ARG H H 13 8.595 8.595 9.223 -0.628 19176 915 1 15 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.168 0.320 19176 916 1 15 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.223 -2.562 19176 917 1 15 . 1 1 14 14 CYS CB C 14 47.903 47.903 26.927 20.977 19176 918 1 15 . 1 1 14 14 CYS H H 14 9.037 9.037 8.665 0.372 19176 919 1 15 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.462 -0.077 19176 920 1 15 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.267 0.132 19176 921 1 15 . 1 1 15 15 ILE CB C 15 40.347 40.347 41.848 -1.501 19176 922 1 15 . 1 1 15 15 ILE H H 15 8.761 8.761 9.300 -0.539 19176 923 1 15 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.424 0.149 19176 924 1 15 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.734 -2.233 19176 925 1 15 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.501 18.215 19176 926 1 15 . 1 1 16 16 CYS H H 16 9.090 9.090 8.877 0.213 19176 927 1 15 . 1 1 17 17 THR HA H 17 4.472 4.472 4.656 -0.184 19176 928 1 15 . 1 1 17 17 THR CA C 17 61.147 61.147 61.755 -0.608 19176 929 1 15 . 1 1 17 17 THR CB C 17 70.436 70.436 70.886 -0.450 19176 930 1 15 . 1 1 17 17 THR H H 17 8.784 8.784 9.117 -0.333 19176 931 1 16 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.865 0.015 19176 932 1 16 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.140 -0.223 19176 933 1 16 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.973 -1.201 19176 934 1 16 . 1 1 2 2 PHE H H 2 7.941 7.941 7.922 0.019 19176 935 1 16 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.393 -0.047 19176 936 1 16 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.205 -1.742 19176 937 1 16 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.512 17.570 19176 938 1 16 . 1 1 3 3 CYS H H 3 8.708 8.708 8.011 0.697 19176 939 1 16 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.755 -0.172 19176 940 1 16 . 1 1 4 4 ARG CA C 4 55.071 55.071 55.161 -0.090 19176 941 1 16 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.051 -0.736 19176 942 1 16 . 1 1 4 4 ARG H H 4 8.617 8.617 9.012 -0.395 19176 943 1 16 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.105 0.349 19176 944 1 16 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.998 -2.419 19176 945 1 16 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.691 19.219 19176 946 1 16 . 1 1 5 5 CYS H H 5 9.031 9.031 8.467 0.564 19176 947 1 16 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.814 -0.136 19176 948 1 16 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.725 0.832 19176 949 1 16 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.137 -0.884 19176 950 1 16 . 1 1 6 6 LEU H H 6 8.684 8.684 9.228 -0.544 19176 951 1 16 . 1 1 7 7 CYS HA H 7 5.464 5.464 4.954 0.510 19176 952 1 16 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.168 -2.612 19176 953 1 16 . 1 1 7 7 CYS CB C 7 47.723 47.723 26.619 21.104 19176 954 1 16 . 1 1 7 7 CYS H H 7 9.033 9.033 9.059 -0.026 19176 955 1 16 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.568 -0.058 19176 956 1 16 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.916 0.637 19176 957 1 16 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.628 0.662 19176 958 1 16 . 1 1 8 8 ARG H H 8 8.554 8.554 8.970 -0.416 19176 959 1 16 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.001 -0.090 19176 960 1 16 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.176 0.073 19176 961 1 16 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.836 -0.556 19176 962 1 16 . 1 1 9 9 ARG H H 9 9.370 9.370 9.355 0.015 19176 963 1 16 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.754 0.598 19176 964 1 16 . 1 1 10 10 GLY H H 10 8.603 8.603 8.370 0.233 19176 965 1 16 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.822 0.140 19176 966 1 16 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.371 -0.964 19176 967 1 16 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.596 -1.475 19176 968 1 16 . 1 1 11 11 ASP H H 11 7.897 7.897 7.780 0.117 19176 969 1 16 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.436 -0.058 19176 970 1 16 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.462 -1.777 19176 971 1 16 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.960 18.952 19176 972 1 16 . 1 1 12 12 CYS H H 12 8.848 8.848 8.803 0.045 19176 973 1 16 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.700 -0.047 19176 974 1 16 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.861 0.207 19176 975 1 16 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.467 -1.203 19176 976 1 16 . 1 1 13 13 ARG H H 13 8.595 8.595 9.181 -0.586 19176 977 1 16 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.156 0.332 19176 978 1 16 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.238 -2.577 19176 979 1 16 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.773 20.130 19176 980 1 16 . 1 1 14 14 CYS H H 14 9.037 9.037 8.578 0.459 19176 981 1 16 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.396 -0.011 19176 982 1 16 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.153 0.246 19176 983 1 16 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.170 0.176 19176 984 1 16 . 1 1 15 15 ILE H H 15 8.761 8.761 9.285 -0.524 19176 985 1 16 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.565 0.008 19176 986 1 16 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.602 -2.100 19176 987 1 16 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.114 17.602 19176 988 1 16 . 1 1 16 16 CYS H H 16 9.090 9.090 8.902 0.188 19176 989 1 16 . 1 1 17 17 THR HA H 17 4.472 4.472 4.660 -0.188 19176 990 1 16 . 1 1 17 17 THR CA C 17 61.147 61.147 61.769 -0.622 19176 991 1 16 . 1 1 17 17 THR CB C 17 70.436 70.436 70.863 -0.427 19176 992 1 16 . 1 1 17 17 THR H H 17 8.784 8.784 9.264 -0.480 19176 993 1 17 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.878 0.002 19176 994 1 17 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.064 -0.147 19176 995 1 17 . 1 1 2 2 PHE CB C 2 40.772 40.772 40.937 -0.165 19176 996 1 17 . 1 1 2 2 PHE H H 2 7.941 7.941 7.873 0.068 19176 997 1 17 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.391 -0.045 19176 998 1 17 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.351 -1.889 19176 999 1 17 . 1 1 3 3 CYS CB C 3 47.082 47.082 29.014 18.068 19176 1000 1 17 . 1 1 3 3 CYS H H 3 8.708 8.708 8.456 0.252 19176 1001 1 17 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.668 -0.085 19176 1002 1 17 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.813 0.258 19176 1003 1 17 . 1 1 4 4 ARG CB C 4 32.315 32.315 32.167 0.148 19176 1004 1 17 . 1 1 4 4 ARG H H 4 8.617 8.617 9.067 -0.450 19176 1005 1 17 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.201 0.253 19176 1006 1 17 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.320 -2.741 19176 1007 1 17 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.127 19.783 19176 1008 1 17 . 1 1 5 5 CYS H H 5 9.031 9.031 8.565 0.466 19176 1009 1 17 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.893 -0.215 19176 1010 1 17 . 1 1 6 6 LEU CA C 6 54.557 54.557 54.179 0.378 19176 1011 1 17 . 1 1 6 6 LEU CB C 6 44.253 44.253 47.053 -2.800 19176 1012 1 17 . 1 1 6 6 LEU H H 6 8.684 8.684 9.252 -0.568 19176 1013 1 17 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.398 0.066 19176 1014 1 17 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.750 -2.194 19176 1015 1 17 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.759 18.964 19176 1016 1 17 . 1 1 7 7 CYS H H 7 9.033 9.033 8.773 0.261 19176 1017 1 17 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.544 -0.034 19176 1018 1 17 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.467 0.086 19176 1019 1 17 . 1 1 8 8 ARG CB C 8 32.290 32.290 32.073 0.217 19176 1020 1 17 . 1 1 8 8 ARG H H 8 8.554 8.554 8.918 -0.364 19176 1021 1 17 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.027 -0.116 19176 1022 1 17 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.497 0.752 19176 1023 1 17 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.370 -0.090 19176 1024 1 17 . 1 1 9 9 ARG H H 9 9.370 9.370 9.255 0.115 19176 1025 1 17 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.794 0.558 19176 1026 1 17 . 1 1 10 10 GLY H H 10 8.603 8.603 8.445 0.158 19176 1027 1 17 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.907 0.055 19176 1028 1 17 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.033 -0.626 19176 1029 1 17 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.638 -1.517 19176 1030 1 17 . 1 1 11 11 ASP H H 11 7.897 7.897 7.769 0.128 19176 1031 1 17 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.473 -0.095 19176 1032 1 17 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.778 -2.093 19176 1033 1 17 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.376 18.536 19176 1034 1 17 . 1 1 12 12 CYS H H 12 8.848 8.848 8.840 0.008 19176 1035 1 17 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.725 -0.072 19176 1036 1 17 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.893 0.175 19176 1037 1 17 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.323 -1.059 19176 1038 1 17 . 1 1 13 13 ARG H H 13 8.595 8.595 9.193 -0.598 19176 1039 1 17 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.059 0.429 19176 1040 1 17 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.369 -2.708 19176 1041 1 17 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.304 19.599 19176 1042 1 17 . 1 1 14 14 CYS H H 14 9.037 9.037 8.534 0.503 19176 1043 1 17 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.428 -0.043 19176 1044 1 17 . 1 1 15 15 ILE CA C 15 60.399 60.399 60.194 0.205 19176 1045 1 17 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.953 -0.606 19176 1046 1 17 . 1 1 15 15 ILE H H 15 8.761 8.761 9.265 -0.504 19176 1047 1 17 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.509 0.064 19176 1048 1 17 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.803 -2.302 19176 1049 1 17 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.487 18.229 19176 1050 1 17 . 1 1 16 16 CYS H H 16 9.090 9.090 9.009 0.081 19176 1051 1 17 . 1 1 17 17 THR HA H 17 4.472 4.472 4.599 -0.127 19176 1052 1 17 . 1 1 17 17 THR CA C 17 61.147 61.147 61.939 -0.792 19176 1053 1 17 . 1 1 17 17 THR CB C 17 70.436 70.436 71.698 -1.262 19176 1054 1 17 . 1 1 17 17 THR H H 17 8.784 8.784 9.176 -0.392 19176 1055 1 18 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.917 -0.037 19176 1056 1 18 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.818 0.099 19176 1057 1 18 . 1 1 2 2 PHE CB C 2 40.772 40.772 42.328 -1.556 19176 1058 1 18 . 1 1 2 2 PHE H H 2 7.941 7.941 7.880 0.061 19176 1059 1 18 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.310 0.036 19176 1060 1 18 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.493 -2.031 19176 1061 1 18 . 1 1 3 3 CYS CB C 3 47.082 47.082 27.641 19.441 19176 1062 1 18 . 1 1 3 3 CYS H H 3 8.708 8.708 8.152 0.556 19176 1063 1 18 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.777 -0.194 19176 1064 1 18 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.905 0.166 19176 1065 1 18 . 1 1 4 4 ARG CB C 4 32.315 32.315 34.270 -1.955 19176 1066 1 18 . 1 1 4 4 ARG H H 4 8.617 8.617 9.152 -0.535 19176 1067 1 18 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.073 0.381 19176 1068 1 18 . 1 1 5 5 CYS CA C 5 55.579 55.579 57.761 -2.183 19176 1069 1 18 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.910 20.000 19176 1070 1 18 . 1 1 5 5 CYS H H 5 9.031 9.031 8.739 0.292 19176 1071 1 18 . 1 1 6 6 LEU HA H 6 4.678 4.678 5.023 -0.345 19176 1072 1 18 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.282 1.275 19176 1073 1 18 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.600 -0.347 19176 1074 1 18 . 1 1 6 6 LEU H H 6 8.684 8.684 9.116 -0.432 19176 1075 1 18 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.305 0.159 19176 1076 1 18 . 1 1 7 7 CYS CA C 7 55.556 55.556 58.168 -2.612 19176 1077 1 18 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.135 19.588 19176 1078 1 18 . 1 1 7 7 CYS H H 7 9.033 9.033 8.563 0.470 19176 1079 1 18 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.602 -0.092 19176 1080 1 18 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.763 0.790 19176 1081 1 18 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.836 0.454 19176 1082 1 18 . 1 1 8 8 ARG H H 8 8.554 8.554 9.021 -0.467 19176 1083 1 18 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.012 -0.101 19176 1084 1 18 . 1 1 9 9 ARG CA C 9 57.249 57.249 57.023 0.226 19176 1085 1 18 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.729 -0.449 19176 1086 1 18 . 1 1 9 9 ARG H H 9 9.370 9.370 9.397 -0.027 19176 1087 1 18 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.860 0.492 19176 1088 1 18 . 1 1 10 10 GLY H H 10 8.603 8.603 8.453 0.150 19176 1089 1 18 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.819 0.143 19176 1090 1 18 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.522 -1.115 19176 1091 1 18 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.594 -1.473 19176 1092 1 18 . 1 1 11 11 ASP H H 11 7.897 7.897 7.724 0.173 19176 1093 1 18 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.518 -0.140 19176 1094 1 18 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.589 -1.904 19176 1095 1 18 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.558 18.354 19176 1096 1 18 . 1 1 12 12 CYS H H 12 8.848 8.848 8.745 0.103 19176 1097 1 18 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.698 -0.045 19176 1098 1 18 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.958 0.110 19176 1099 1 18 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.194 -0.930 19176 1100 1 18 . 1 1 13 13 ARG H H 13 8.595 8.595 9.135 -0.540 19176 1101 1 18 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.065 0.423 19176 1102 1 18 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.426 -2.765 19176 1103 1 18 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.054 19.849 19176 1104 1 18 . 1 1 14 14 CYS H H 14 9.037 9.037 8.491 0.546 19176 1105 1 18 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.542 -0.157 19176 1106 1 18 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.536 0.863 19176 1107 1 18 . 1 1 15 15 ILE CB C 15 40.347 40.347 42.587 -2.240 19176 1108 1 18 . 1 1 15 15 ILE H H 15 8.761 8.761 9.220 -0.459 19176 1109 1 18 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.530 0.043 19176 1110 1 18 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.727 -2.226 19176 1111 1 18 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.825 19.891 19176 1112 1 18 . 1 1 16 16 CYS H H 16 9.090 9.090 8.919 0.171 19176 1113 1 18 . 1 1 17 17 THR HA H 17 4.472 4.472 4.681 -0.209 19176 1114 1 18 . 1 1 17 17 THR CA C 17 61.147 61.147 61.602 -0.455 19176 1115 1 18 . 1 1 17 17 THR CB C 17 70.436 70.436 71.114 -0.678 19176 1116 1 18 . 1 1 17 17 THR H H 17 8.784 8.784 9.321 -0.537 19176 1117 1 19 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.827 0.053 19176 1118 1 19 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.227 -0.310 19176 1119 1 19 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.203 -0.431 19176 1120 1 19 . 1 1 2 2 PHE H H 2 7.941 7.941 7.823 0.118 19176 1121 1 19 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.208 0.138 19176 1122 1 19 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.845 -2.383 19176 1123 1 19 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.091 18.991 19176 1124 1 19 . 1 1 3 3 CYS H H 3 8.708 8.708 8.292 0.416 19176 1125 1 19 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.738 -0.155 19176 1126 1 19 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.421 0.650 19176 1127 1 19 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.987 -1.672 19176 1128 1 19 . 1 1 4 4 ARG H H 4 8.617 8.617 9.093 -0.476 19176 1129 1 19 . 1 1 5 5 CYS HA H 5 5.454 5.454 4.954 0.500 19176 1130 1 19 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.886 -3.307 19176 1131 1 19 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.114 19.796 19176 1132 1 19 . 1 1 5 5 CYS H H 5 9.031 9.031 8.765 0.266 19176 1133 1 19 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.789 -0.111 19176 1134 1 19 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.986 0.571 19176 1135 1 19 . 1 1 6 6 LEU CB C 6 44.253 44.253 44.631 -0.378 19176 1136 1 19 . 1 1 6 6 LEU H H 6 8.684 8.684 9.128 -0.444 19176 1137 1 19 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.346 0.118 19176 1138 1 19 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.655 -2.099 19176 1139 1 19 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.751 18.972 19176 1140 1 19 . 1 1 7 7 CYS H H 7 9.033 9.033 8.867 0.166 19176 1141 1 19 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.520 -0.010 19176 1142 1 19 . 1 1 8 8 ARG CA C 8 55.553 55.553 56.043 -0.490 19176 1143 1 19 . 1 1 8 8 ARG CB C 8 32.290 32.290 32.628 -0.338 19176 1144 1 19 . 1 1 8 8 ARG H H 8 8.554 8.554 9.026 -0.472 19176 1145 1 19 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.061 -0.150 19176 1146 1 19 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.895 0.354 19176 1147 1 19 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.745 -0.465 19176 1148 1 19 . 1 1 9 9 ARG H H 9 9.370 9.370 9.317 0.053 19176 1149 1 19 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.848 0.504 19176 1150 1 19 . 1 1 10 10 GLY H H 10 8.603 8.603 8.481 0.122 19176 1151 1 19 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.824 0.138 19176 1152 1 19 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.604 -1.197 19176 1153 1 19 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.543 -1.422 19176 1154 1 19 . 1 1 11 11 ASP H H 11 7.897 7.897 7.717 0.180 19176 1155 1 19 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.461 -0.083 19176 1156 1 19 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.733 -2.048 19176 1157 1 19 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.605 18.307 19176 1158 1 19 . 1 1 12 12 CYS H H 12 8.848 8.848 8.718 0.130 19176 1159 1 19 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.756 -0.103 19176 1160 1 19 . 1 1 13 13 ARG CA C 13 55.068 55.068 54.429 0.639 19176 1161 1 19 . 1 1 13 13 ARG CB C 13 32.264 32.264 32.786 -0.522 19176 1162 1 19 . 1 1 13 13 ARG H H 13 8.595 8.595 9.207 -0.612 19176 1163 1 19 . 1 1 14 14 CYS HA H 14 5.488 5.488 4.709 0.779 19176 1164 1 19 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.777 -3.116 19176 1165 1 19 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.660 20.243 19176 1166 1 19 . 1 1 14 14 CYS H H 14 9.037 9.037 8.877 0.161 19176 1167 1 19 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.443 -0.058 19176 1168 1 19 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.285 1.114 19176 1169 1 19 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.706 -0.359 19176 1170 1 19 . 1 1 15 15 ILE H H 15 8.761 8.761 9.006 -0.245 19176 1171 1 19 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.047 0.526 19176 1172 1 19 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.973 -2.472 19176 1173 1 19 . 1 1 16 16 CYS CB C 16 47.716 47.716 28.655 19.061 19176 1174 1 19 . 1 1 16 16 CYS H H 16 9.090 9.090 9.010 0.080 19176 1175 1 19 . 1 1 17 17 THR HA H 17 4.472 4.472 4.599 -0.127 19176 1176 1 19 . 1 1 17 17 THR CA C 17 61.147 61.147 61.100 0.047 19176 1177 1 19 . 1 1 17 17 THR CB C 17 70.436 70.436 70.813 -0.377 19176 1178 1 19 . 1 1 17 17 THR H H 17 8.784 8.784 9.165 -0.381 19176 1179 1 20 . 1 1 2 2 PHE HA H 2 4.880 4.880 4.913 -0.033 19176 1180 1 20 . 1 1 2 2 PHE CA C 2 56.917 56.917 56.534 0.383 19176 1181 1 20 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.867 -1.095 19176 1182 1 20 . 1 1 2 2 PHE H H 2 7.941 7.941 7.816 0.125 19176 1183 1 20 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.271 0.075 19176 1184 1 20 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.251 -1.789 19176 1185 1 20 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.955 18.127 19176 1186 1 20 . 1 1 3 3 CYS H H 3 8.708 8.708 8.394 0.314 19176 1187 1 20 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.564 0.019 19176 1188 1 20 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.826 0.245 19176 1189 1 20 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.411 -1.097 19176 1190 1 20 . 1 1 4 4 ARG H H 4 8.617 8.617 9.062 -0.445 19176 1191 1 20 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.116 0.338 19176 1192 1 20 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.153 -2.574 19176 1193 1 20 . 1 1 5 5 CYS CB C 5 47.910 47.910 27.130 20.780 19176 1194 1 20 . 1 1 5 5 CYS H H 5 9.031 9.031 8.599 0.432 19176 1195 1 20 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.825 -0.147 19176 1196 1 20 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.723 0.834 19176 1197 1 20 . 1 1 6 6 LEU CB C 6 44.253 44.253 46.590 -2.337 19176 1198 1 20 . 1 1 6 6 LEU H H 6 8.684 8.684 9.294 -0.610 19176 1199 1 20 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.444 0.020 19176 1200 1 20 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.772 -2.216 19176 1201 1 20 . 1 1 7 7 CYS CB C 7 47.723 47.723 28.857 18.866 19176 1202 1 20 . 1 1 7 7 CYS H H 7 9.033 9.033 8.825 0.208 19176 1203 1 20 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.541 -0.031 19176 1204 1 20 . 1 1 8 8 ARG CA C 8 55.553 55.553 55.093 0.461 19176 1205 1 20 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.020 1.270 19176 1206 1 20 . 1 1 8 8 ARG H H 8 8.554 8.554 9.043 -0.489 19176 1207 1 20 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.020 -0.109 19176 1208 1 20 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.742 0.507 19176 1209 1 20 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.439 -0.160 19176 1210 1 20 . 1 1 9 9 ARG H H 9 9.370 9.370 9.340 0.030 19176 1211 1 20 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.691 0.661 19176 1212 1 20 . 1 1 10 10 GLY H H 10 8.603 8.603 8.314 0.289 19176 1213 1 20 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.796 0.166 19176 1214 1 20 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.482 -1.075 19176 1215 1 20 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.041 -0.920 19176 1216 1 20 . 1 1 11 11 ASP H H 11 7.897 7.897 7.761 0.136 19176 1217 1 20 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.515 -0.137 19176 1218 1 20 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.809 -2.124 19176 1219 1 20 . 1 1 12 12 CYS CB C 12 46.912 46.912 28.363 18.549 19176 1220 1 20 . 1 1 12 12 CYS H H 12 8.848 8.848 8.553 0.294 19176 1221 1 20 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.699 -0.046 19176 1222 1 20 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.802 -0.734 19176 1223 1 20 . 1 1 13 13 ARG CB C 13 32.264 32.264 34.025 -1.761 19176 1224 1 20 . 1 1 13 13 ARG H H 13 8.595 8.595 9.298 -0.703 19176 1225 1 20 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.208 0.280 19176 1226 1 20 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.005 -2.344 19176 1227 1 20 . 1 1 14 14 CYS CB C 14 47.903 47.903 27.716 20.187 19176 1228 1 20 . 1 1 14 14 CYS H H 14 9.037 9.037 8.610 0.427 19176 1229 1 20 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.469 -0.084 19176 1230 1 20 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.353 1.046 19176 1231 1 20 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.940 -0.593 19176 1232 1 20 . 1 1 15 15 ILE H H 15 8.761 8.761 9.236 -0.475 19176 1233 1 20 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.518 0.055 19176 1234 1 20 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.635 -2.134 19176 1235 1 20 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.794 16.922 19176 1236 1 20 . 1 1 16 16 CYS H H 16 9.090 9.090 8.745 0.345 19176 1237 1 20 . 1 1 17 17 THR HA H 17 4.472 4.472 4.607 -0.135 19176 1238 1 20 . 1 1 17 17 THR CA C 17 61.147 61.147 61.662 -0.515 19176 1239 1 20 . 1 1 17 17 THR CB C 17 70.436 70.436 70.431 0.004 19176 1240 1 20 . 1 1 17 17 THR H H 17 8.784 8.784 9.176 -0.392 19176 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 0 0.000 0.000 0.000 19176 2 1 1 "Average Difference" HA 17 0.260 -0.043 0.265 19176 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19176 4 1 1 "Average Difference" CA 16 1.481 0.691 1.352 19176 5 1 1 "Average Difference" CB 15 11.964 -7.344 9.777 19176 6 1 1 "Average Difference" HN 16 0.420 0.008 0.434 19176 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19176 8 1 2 "Average Difference" HA 17 0.236 -0.083 0.228 19176 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19176 10 1 2 "Average Difference" CA 16 1.547 0.720 1.415 19176 11 1 2 "Average Difference" CB 15 12.275 -7.437 10.109 19176 12 1 2 "Average Difference" HN 16 0.405 0.001 0.418 19176 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19176 14 1 3 "Average Difference" HA 17 0.256 -0.098 0.244 19176 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19176 16 1 3 "Average Difference" CA 16 1.694 0.862 1.507 19176 17 1 3 "Average Difference" CB 15 12.234 -7.215 10.226 19176 18 1 3 "Average Difference" HN 16 0.364 0.063 0.370 19176 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19176 20 1 4 "Average Difference" HA 17 0.264 -0.098 0.253 19176 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19176 22 1 4 "Average Difference" CA 16 1.645 0.903 1.420 19176 23 1 4 "Average Difference" CB 15 12.230 -7.356 10.113 19176 24 1 4 "Average Difference" HN 16 0.409 0.031 0.421 19176 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19176 26 1 5 "Average Difference" HA 17 0.223 -0.046 0.225 19176 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19176 28 1 5 "Average Difference" CA 16 1.361 0.826 1.117 19176 29 1 5 "Average Difference" CB 15 11.609 -6.993 9.592 19176 30 1 5 "Average Difference" HN 16 0.393 0.038 0.404 19176 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19176 32 1 6 "Average Difference" HA 17 0.252 -0.069 0.250 19176 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19176 34 1 6 "Average Difference" CA 16 1.531 0.635 1.439 19176 35 1 6 "Average Difference" CB 15 11.896 -7.179 9.818 19176 36 1 6 "Average Difference" HN 16 0.430 0.013 0.444 19176 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19176 38 1 7 "Average Difference" HA 17 0.233 -0.065 0.230 19176 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19176 40 1 7 "Average Difference" CA 16 1.467 0.662 1.353 19176 41 1 7 "Average Difference" CB 15 12.718 -7.481 10.646 19176 42 1 7 "Average Difference" HN 16 0.422 -0.036 0.434 19176 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19176 44 1 8 "Average Difference" HA 17 0.234 -0.030 0.239 19176 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19176 46 1 8 "Average Difference" CA 16 1.520 0.757 1.361 19176 47 1 8 "Average Difference" CB 15 11.838 -6.947 9.922 19176 48 1 8 "Average Difference" HN 16 0.429 0.071 0.437 19176 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19176 50 1 9 "Average Difference" HA 17 0.267 -0.093 0.258 19176 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19176 52 1 9 "Average Difference" CA 16 1.522 0.861 1.296 19176 53 1 9 "Average Difference" CB 15 12.183 -7.159 10.204 19176 54 1 9 "Average Difference" HN 16 0.385 0.032 0.397 19176 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19176 56 1 10 "Average Difference" HA 17 0.288 -0.087 0.283 19176 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19176 58 1 10 "Average Difference" CA 16 1.524 0.779 1.352 19176 59 1 10 "Average Difference" CB 15 11.832 -7.410 9.547 19176 60 1 10 "Average Difference" HN 16 0.388 0.037 0.399 19176 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19176 62 1 11 "Average Difference" HA 17 0.222 -0.098 0.205 19176 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19176 64 1 11 "Average Difference" CA 16 1.525 0.756 1.368 19176 65 1 11 "Average Difference" CB 15 11.837 -7.351 9.604 19176 66 1 11 "Average Difference" HN 16 0.359 0.005 0.371 19176 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19176 68 1 12 "Average Difference" HA 17 0.263 -0.103 0.249 19176 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19176 70 1 12 "Average Difference" CA 16 1.433 0.675 1.305 19176 71 1 12 "Average Difference" CB 15 12.030 -7.546 9.698 19176 72 1 12 "Average Difference" HN 16 0.341 0.008 0.352 19176 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19176 74 1 13 "Average Difference" HA 17 0.271 -0.062 0.271 19176 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19176 76 1 13 "Average Difference" CA 16 1.536 0.859 1.315 19176 77 1 13 "Average Difference" CB 15 11.930 -6.878 10.090 19176 78 1 13 "Average Difference" HN 16 0.388 0.042 0.399 19176 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19176 80 1 14 "Average Difference" HA 17 0.229 -0.059 0.228 19176 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19176 82 1 14 "Average Difference" CA 16 1.422 0.719 1.267 19176 83 1 14 "Average Difference" CB 15 11.933 -7.092 9.934 19176 84 1 14 "Average Difference" HN 16 0.406 0.016 0.419 19176 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19176 86 1 15 "Average Difference" HA 17 0.236 -0.081 0.229 19176 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19176 88 1 15 "Average Difference" CA 16 1.504 0.814 1.306 19176 89 1 15 "Average Difference" CB 15 12.374 -7.446 10.230 19176 90 1 15 "Average Difference" HN 16 0.364 0.063 0.371 19176 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19176 92 1 16 "Average Difference" HA 17 0.243 -0.076 0.238 19176 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19176 94 1 16 "Average Difference" CA 16 1.433 0.783 1.239 19176 95 1 16 "Average Difference" CB 15 12.125 -7.262 10.050 19176 96 1 16 "Average Difference" HN 16 0.403 0.040 0.414 19176 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19176 98 1 17 "Average Difference" HA 17 0.210 -0.046 0.211 19176 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19176 100 1 17 "Average Difference" CA 16 1.481 0.817 1.276 19176 101 1 17 "Average Difference" CB 15 11.974 -7.070 10.004 19176 102 1 17 "Average Difference" HN 16 0.361 0.052 0.369 19176 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19176 104 1 18 "Average Difference" HA 17 0.251 -0.039 0.256 19176 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19176 106 1 18 "Average Difference" CA 16 1.515 0.704 1.385 19176 107 1 18 "Average Difference" CB 15 12.392 -7.197 10.442 19176 108 1 18 "Average Difference" HN 16 0.395 0.030 0.406 19176 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19176 110 1 19 "Average Difference" HA 17 0.319 -0.133 0.298 19176 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19176 112 1 19 "Average Difference" CA 16 1.688 0.846 1.508 19176 113 1 19 "Average Difference" CB 15 12.184 -7.294 10.102 19176 114 1 19 "Average Difference" HN 16 0.317 0.059 0.322 19176 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19176 116 1 20 "Average Difference" HA 17 0.196 -0.053 0.194 19176 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19176 118 1 20 "Average Difference" CA 16 1.461 0.710 1.319 19176 119 1 20 "Average Difference" CB 15 12.022 -7.116 10.030 19176 120 1 20 "Average Difference" HN 16 0.397 0.032 0.408 19176 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 19176 _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 PHE HA H 2 4.880 4.880 4.856 0.024 19176 2 1 . 1 1 2 2 PHE CA C 2 56.917 56.917 57.088 -0.171 19176 3 1 . 1 1 2 2 PHE CB C 2 40.772 40.772 41.549 -0.777 19176 4 1 . 1 1 2 2 PHE H H 2 7.941 7.941 7.884 0.057 19176 5 1 . 1 1 3 3 CYS HA H 3 5.346 5.346 5.284 0.062 19176 6 1 . 1 1 3 3 CYS CA C 3 55.462 55.462 57.407 -1.945 19176 7 1 . 1 1 3 3 CYS CB C 3 47.082 47.082 28.941 18.141 19176 8 1 . 1 1 3 3 CYS H H 3 8.708 8.708 8.249 0.459 19176 9 1 . 1 1 4 4 ARG HA H 4 4.583 4.583 4.701 -0.118 19176 10 1 . 1 1 4 4 ARG CA C 4 55.071 55.071 54.719 0.352 19176 11 1 . 1 1 4 4 ARG CB C 4 32.315 32.315 33.004 -0.689 19176 12 1 . 1 1 4 4 ARG H H 4 8.617 8.617 9.049 -0.432 19176 13 1 . 1 1 5 5 CYS HA H 5 5.454 5.454 5.098 0.356 19176 14 1 . 1 1 5 5 CYS CA C 5 55.579 55.579 58.110 -2.531 19176 15 1 . 1 1 5 5 CYS CB C 5 47.910 47.910 28.311 19.599 19176 16 1 . 1 1 5 5 CYS H H 5 9.031 9.031 8.617 0.414 19176 17 1 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.856 -0.178 19176 18 1 . 1 1 6 6 LEU CA C 6 54.557 54.557 53.952 0.605 19176 19 1 . 1 1 6 6 LEU CB C 6 44.253 44.253 45.859 -1.606 19176 20 1 . 1 1 6 6 LEU H H 6 8.684 8.684 9.223 -0.539 19176 21 1 . 1 1 7 7 CYS HA H 7 5.464 5.464 5.263 0.201 19176 22 1 . 1 1 7 7 CYS CA C 7 55.556 55.556 57.920 -2.364 19176 23 1 . 1 1 7 7 CYS CB C 7 47.723 47.723 27.983 19.740 19176 24 1 . 1 1 7 7 CYS H H 7 9.033 9.033 8.783 0.251 19176 25 1 . 1 1 8 8 ARG HA H 8 4.510 4.510 4.545 -0.035 19176 26 1 . 1 1 8 8 ARG CA C 8 55.553 55.553 54.933 0.620 19176 27 1 . 1 1 8 8 ARG CB C 8 32.290 32.290 31.509 0.781 19176 28 1 . 1 1 8 8 ARG H H 8 8.554 8.554 9.036 -0.482 19176 29 1 . 1 1 9 9 ARG HA H 9 3.911 3.911 4.022 -0.111 19176 30 1 . 1 1 9 9 ARG CA C 9 57.249 57.249 56.883 0.366 19176 31 1 . 1 1 9 9 ARG CB C 9 28.280 28.280 28.680 -0.400 19176 32 1 . 1 1 9 9 ARG H H 9 9.370 9.370 9.323 0.047 19176 33 1 . 1 1 10 10 GLY CA C 10 45.352 45.352 44.754 0.598 19176 34 1 . 1 1 10 10 GLY H H 10 8.603 8.603 8.380 0.223 19176 35 1 . 1 1 11 11 ASP HA H 11 4.962 4.962 4.821 0.141 19176 36 1 . 1 1 11 11 ASP CA C 11 52.407 52.407 53.374 -0.967 19176 37 1 . 1 1 11 11 ASP CB C 11 40.121 40.121 41.412 -1.291 19176 38 1 . 1 1 11 11 ASP H H 11 7.897 7.897 7.776 0.121 19176 39 1 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.407 -0.029 19176 40 1 . 1 1 12 12 CYS CA C 12 55.685 55.685 57.846 -2.161 19176 41 1 . 1 1 12 12 CYS CB C 12 46.912 46.912 27.969 18.943 19176 42 1 . 1 1 12 12 CYS H H 12 8.848 8.848 8.650 0.198 19176 43 1 . 1 1 13 13 ARG HA H 13 4.653 4.653 4.734 -0.081 19176 44 1 . 1 1 13 13 ARG CA C 13 55.068 55.068 55.044 0.024 19176 45 1 . 1 1 13 13 ARG CB C 13 32.264 32.264 33.220 -0.956 19176 46 1 . 1 1 13 13 ARG H H 13 8.595 8.595 9.205 -0.610 19176 47 1 . 1 1 14 14 CYS HA H 14 5.488 5.488 5.017 0.471 19176 48 1 . 1 1 14 14 CYS CA C 14 55.661 55.661 58.228 -2.567 19176 49 1 . 1 1 14 14 CYS CB C 14 47.903 47.903 28.202 19.701 19176 50 1 . 1 1 14 14 CYS H H 14 9.037 9.037 8.604 0.433 19176 51 1 . 1 1 15 15 ILE HA H 15 4.385 4.385 4.462 -0.077 19176 52 1 . 1 1 15 15 ILE CA C 15 60.399 60.399 59.848 0.551 19176 53 1 . 1 1 15 15 ILE CB C 15 40.347 40.347 40.459 -0.112 19176 54 1 . 1 1 15 15 ILE H H 15 8.761 8.761 9.172 -0.411 19176 55 1 . 1 1 16 16 CYS HA H 16 5.573 5.573 5.537 0.036 19176 56 1 . 1 1 16 16 CYS CA C 16 55.501 55.501 57.656 -2.155 19176 57 1 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.787 17.929 19176 58 1 . 1 1 16 16 CYS H H 16 9.090 9.090 8.870 0.220 19176 59 1 . 1 1 17 17 THR HA H 17 4.472 4.472 4.637 -0.165 19176 60 1 . 1 1 17 17 THR CA C 17 61.147 61.147 61.708 -0.561 19176 61 1 . 1 1 17 17 THR CB C 17 70.436 70.436 70.860 -0.424 19176 62 1 . 1 1 17 17 THR H H 17 8.784 8.784 9.216 -0.432 19176 stop_ save_