data_18913 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18913 _Entry.PDB_ID 2M2G 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 18913 _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 5 5 CYS HA H 5 5.532 5.532 5.280 0.252 18913 2 1 1 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.753 -2.272 18913 3 1 1 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.864 20.270 18913 4 1 1 . 1 1 5 5 CYS H H 5 9.120 9.120 8.661 0.459 18913 5 1 1 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.441 -0.116 18913 6 1 1 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.228 0.499 18913 7 1 1 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.093 0.358 18913 8 1 1 . 1 1 6 6 VAL H H 6 8.677 8.677 9.237 -0.560 18913 9 1 1 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.534 0.058 18913 10 1 1 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.743 -2.382 18913 11 1 1 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.121 20.046 18913 12 1 1 . 1 1 7 7 CYS H H 7 9.146 9.146 8.936 0.210 18913 13 1 1 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.469 0.047 18913 14 1 1 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.283 -0.760 18913 15 1 1 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.861 -0.075 18913 16 1 1 . 1 1 8 8 ARG H H 8 8.689 8.689 9.251 -0.562 18913 17 1 1 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.035 -0.120 18913 18 1 1 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.389 0.532 18913 19 1 1 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.341 -0.213 18913 20 1 1 . 1 1 9 9 ARG H H 9 9.577 9.577 9.245 0.332 18913 21 1 1 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.934 0.294 18913 22 1 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.539 0.144 18913 23 1 1 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.316 -0.039 18913 24 1 1 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.840 -0.021 18913 25 1 1 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.831 0.521 18913 26 1 1 . 1 1 11 11 VAL H H 11 7.809 7.809 7.555 0.254 18913 27 1 1 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.163 0.266 18913 28 1 1 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.167 -2.794 18913 29 1 1 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.355 19.541 18913 30 1 1 . 1 1 12 12 CYS H H 12 9.112 9.112 9.095 0.017 18913 31 1 1 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.773 -0.103 18913 32 1 1 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.959 0.120 18913 33 1 1 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.512 -1.227 18913 34 1 1 . 1 1 13 13 ARG H H 13 8.718 8.718 9.264 -0.546 18913 35 1 1 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.926 0.633 18913 36 1 1 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.273 -3.747 18913 37 1 1 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.722 21.875 18913 38 1 1 . 1 1 14 14 CYS H H 14 9.138 9.138 8.920 0.218 18913 39 1 2 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.358 0.174 18913 40 1 2 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.614 -2.133 18913 41 1 2 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.654 19.480 18913 42 1 2 . 1 1 5 5 CYS H H 5 9.120 9.120 8.563 0.557 18913 43 1 2 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.434 -0.109 18913 44 1 2 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.012 0.715 18913 45 1 2 . 1 1 6 6 VAL CB C 6 35.451 35.451 34.728 0.723 18913 46 1 2 . 1 1 6 6 VAL H H 6 8.677 8.677 9.296 -0.619 18913 47 1 2 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.442 0.150 18913 48 1 2 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.849 -2.488 18913 49 1 2 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.166 19.001 18913 50 1 2 . 1 1 7 7 CYS H H 7 9.146 9.146 8.821 0.325 18913 51 1 2 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.482 0.034 18913 52 1 2 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.900 -0.377 18913 53 1 2 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.064 -0.278 18913 54 1 2 . 1 1 8 8 ARG H H 8 8.689 8.689 9.147 -0.458 18913 55 1 2 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.048 -0.133 18913 56 1 2 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.245 -0.324 18913 57 1 2 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.780 -0.652 18913 58 1 2 . 1 1 9 9 ARG H H 9 9.577 9.577 9.256 0.321 18913 59 1 2 . 1 1 10 10 GLY CA C 10 45.228 45.228 45.060 0.168 18913 60 1 2 . 1 1 10 10 GLY H H 10 8.683 8.683 8.315 0.368 18913 61 1 2 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.661 -0.384 18913 62 1 2 . 1 1 11 11 VAL CA C 11 61.819 61.819 59.763 2.056 18913 63 1 2 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.966 -1.614 18913 64 1 2 . 1 1 11 11 VAL H H 11 7.809 7.809 7.679 0.130 18913 65 1 2 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.174 0.255 18913 66 1 2 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.250 -2.877 18913 67 1 2 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.150 18.745 18913 68 1 2 . 1 1 12 12 CYS H H 12 9.112 9.112 8.515 0.597 18913 69 1 2 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.794 -0.124 18913 70 1 2 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.865 0.214 18913 71 1 2 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.360 -1.075 18913 72 1 2 . 1 1 13 13 ARG H H 13 8.718 8.718 9.198 -0.480 18913 73 1 2 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.939 0.620 18913 74 1 2 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.471 -2.945 18913 75 1 2 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.834 21.763 18913 76 1 2 . 1 1 14 14 CYS H H 14 9.138 9.138 8.934 0.204 18913 77 1 3 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.180 0.352 18913 78 1 3 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.584 -2.103 18913 79 1 3 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.008 20.126 18913 80 1 3 . 1 1 5 5 CYS H H 5 9.120 9.120 8.500 0.620 18913 81 1 3 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.353 -0.028 18913 82 1 3 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.451 0.276 18913 83 1 3 . 1 1 6 6 VAL CB C 6 35.451 35.451 33.892 1.559 18913 84 1 3 . 1 1 6 6 VAL H H 6 8.677 8.677 9.202 -0.525 18913 85 1 3 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.530 0.062 18913 86 1 3 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.753 -2.392 18913 87 1 3 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.684 20.483 18913 88 1 3 . 1 1 7 7 CYS H H 7 9.146 9.146 8.924 0.222 18913 89 1 3 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.505 0.011 18913 90 1 3 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.090 -0.567 18913 91 1 3 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.204 -0.418 18913 92 1 3 . 1 1 8 8 ARG H H 8 8.689 8.689 9.218 -0.529 18913 93 1 3 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.077 -0.162 18913 94 1 3 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.927 -0.006 18913 95 1 3 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.807 -0.679 18913 96 1 3 . 1 1 9 9 ARG H H 9 9.577 9.577 9.296 0.281 18913 97 1 3 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.992 0.236 18913 98 1 3 . 1 1 10 10 GLY H H 10 8.683 8.683 8.392 0.291 18913 99 1 3 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.294 -0.017 18913 100 1 3 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.083 0.736 18913 101 1 3 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.337 1.015 18913 102 1 3 . 1 1 11 11 VAL H H 11 7.809 7.809 7.600 0.209 18913 103 1 3 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.153 0.276 18913 104 1 3 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.220 -2.847 18913 105 1 3 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.504 19.391 18913 106 1 3 . 1 1 12 12 CYS H H 12 9.112 9.112 9.045 0.067 18913 107 1 3 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.773 -0.103 18913 108 1 3 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.826 0.253 18913 109 1 3 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.417 -1.132 18913 110 1 3 . 1 1 13 13 ARG H H 13 8.718 8.718 9.138 -0.420 18913 111 1 3 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.680 0.879 18913 112 1 3 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.009 -3.483 18913 113 1 3 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.719 21.878 18913 114 1 3 . 1 1 14 14 CYS H H 14 9.138 9.138 8.929 0.209 18913 115 1 4 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.219 0.313 18913 116 1 4 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.729 -2.248 18913 117 1 4 . 1 1 5 5 CYS CB C 5 48.134 48.134 29.210 18.924 18913 118 1 4 . 1 1 5 5 CYS H H 5 9.120 9.120 8.629 0.491 18913 119 1 4 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.430 -0.105 18913 120 1 4 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.454 0.273 18913 121 1 4 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.230 0.222 18913 122 1 4 . 1 1 6 6 VAL H H 6 8.677 8.677 9.069 -0.392 18913 123 1 4 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.377 0.215 18913 124 1 4 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.964 -2.603 18913 125 1 4 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.772 19.395 18913 126 1 4 . 1 1 7 7 CYS H H 7 9.146 9.146 8.828 0.318 18913 127 1 4 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.519 -0.003 18913 128 1 4 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.047 0.475 18913 129 1 4 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.281 0.505 18913 130 1 4 . 1 1 8 8 ARG H H 8 8.689 8.689 9.224 -0.535 18913 131 1 4 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.018 -0.103 18913 132 1 4 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.085 -0.164 18913 133 1 4 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.942 -0.814 18913 134 1 4 . 1 1 9 9 ARG H H 9 9.577 9.577 9.315 0.262 18913 135 1 4 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.692 0.536 18913 136 1 4 . 1 1 10 10 GLY H H 10 8.683 8.683 8.349 0.334 18913 137 1 4 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.639 -0.362 18913 138 1 4 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.524 1.295 18913 139 1 4 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.369 -1.017 18913 140 1 4 . 1 1 11 11 VAL H H 11 7.809 7.809 7.568 0.241 18913 141 1 4 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.045 0.384 18913 142 1 4 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.464 -3.091 18913 143 1 4 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.700 18.195 18913 144 1 4 . 1 1 12 12 CYS H H 12 9.112 9.112 8.501 0.611 18913 145 1 4 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.721 -0.051 18913 146 1 4 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.072 1.007 18913 147 1 4 . 1 1 13 13 ARG CB C 13 32.285 32.285 30.876 1.409 18913 148 1 4 . 1 1 13 13 ARG H H 13 8.718 8.718 9.123 -0.405 18913 149 1 4 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.947 0.612 18913 150 1 4 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.080 -3.554 18913 151 1 4 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.447 21.150 18913 152 1 4 . 1 1 14 14 CYS H H 14 9.138 9.138 8.936 0.202 18913 153 1 5 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.230 0.302 18913 154 1 5 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.145 -1.664 18913 155 1 5 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.863 19.271 18913 156 1 5 . 1 1 5 5 CYS H H 5 9.120 9.120 8.603 0.517 18913 157 1 5 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.478 -0.153 18913 158 1 5 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.263 0.464 18913 159 1 5 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.459 -0.008 18913 160 1 5 . 1 1 6 6 VAL H H 6 8.677 8.677 8.991 -0.314 18913 161 1 5 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.433 0.159 18913 162 1 5 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.693 -2.332 18913 163 1 5 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.316 18.851 18913 164 1 5 . 1 1 7 7 CYS H H 7 9.146 9.146 8.469 0.677 18913 165 1 5 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.528 -0.012 18913 166 1 5 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.268 0.255 18913 167 1 5 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.585 0.201 18913 168 1 5 . 1 1 8 8 ARG H H 8 8.689 8.689 9.202 -0.513 18913 169 1 5 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.028 -0.113 18913 170 1 5 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.543 0.378 18913 171 1 5 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.207 -1.079 18913 172 1 5 . 1 1 9 9 ARG H H 9 9.577 9.577 9.161 0.416 18913 173 1 5 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.997 0.231 18913 174 1 5 . 1 1 10 10 GLY H H 10 8.683 8.683 8.250 0.433 18913 175 1 5 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.218 0.059 18913 176 1 5 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.529 0.290 18913 177 1 5 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.083 0.269 18913 178 1 5 . 1 1 11 11 VAL H H 11 7.809 7.809 7.559 0.250 18913 179 1 5 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.123 0.306 18913 180 1 5 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.279 -2.905 18913 181 1 5 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.047 18.849 18913 182 1 5 . 1 1 12 12 CYS H H 12 9.112 9.112 9.035 0.077 18913 183 1 5 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.731 -0.061 18913 184 1 5 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.282 -0.204 18913 185 1 5 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.773 -0.488 18913 186 1 5 . 1 1 13 13 ARG H H 13 8.718 8.718 9.297 -0.579 18913 187 1 5 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.672 0.887 18913 188 1 5 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.308 -3.782 18913 189 1 5 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.261 21.337 18913 190 1 5 . 1 1 14 14 CYS H H 14 9.138 9.138 9.028 0.110 18913 191 1 6 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.254 0.278 18913 192 1 6 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.531 -2.050 18913 193 1 6 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.856 20.278 18913 194 1 6 . 1 1 5 5 CYS H H 5 9.120 9.120 8.574 0.546 18913 195 1 6 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.580 -0.255 18913 196 1 6 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.023 0.704 18913 197 1 6 . 1 1 6 6 VAL CB C 6 35.451 35.451 36.228 -0.777 18913 198 1 6 . 1 1 6 6 VAL H H 6 8.677 8.677 9.079 -0.402 18913 199 1 6 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.592 -0.000 18913 200 1 6 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.635 -2.274 18913 201 1 6 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.893 20.273 18913 202 1 6 . 1 1 7 7 CYS H H 7 9.146 9.146 8.783 0.363 18913 203 1 6 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.538 -0.022 18913 204 1 6 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.123 -0.600 18913 205 1 6 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.346 -0.560 18913 206 1 6 . 1 1 8 8 ARG H H 8 8.689 8.689 9.215 -0.526 18913 207 1 6 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.076 -0.161 18913 208 1 6 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.140 -0.219 18913 209 1 6 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.011 -0.883 18913 210 1 6 . 1 1 9 9 ARG H H 9 9.577 9.577 9.284 0.293 18913 211 1 6 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.749 0.479 18913 212 1 6 . 1 1 10 10 GLY H H 10 8.683 8.683 8.320 0.363 18913 213 1 6 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.264 0.013 18913 214 1 6 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.373 0.445 18913 215 1 6 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.400 -0.048 18913 216 1 6 . 1 1 11 11 VAL H H 11 7.809 7.809 7.737 0.072 18913 217 1 6 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.272 0.157 18913 218 1 6 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.050 -2.677 18913 219 1 6 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.611 19.284 18913 220 1 6 . 1 1 12 12 CYS H H 12 9.112 9.112 9.022 0.090 18913 221 1 6 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.710 -0.040 18913 222 1 6 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.708 -0.629 18913 223 1 6 . 1 1 13 13 ARG CB C 13 32.285 32.285 34.291 -2.006 18913 224 1 6 . 1 1 13 13 ARG H H 13 8.718 8.718 9.279 -0.561 18913 225 1 6 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.578 0.981 18913 226 1 6 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.025 -3.499 18913 227 1 6 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.488 22.109 18913 228 1 6 . 1 1 14 14 CYS H H 14 9.138 9.138 8.849 0.289 18913 229 1 7 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.270 0.262 18913 230 1 7 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.577 -2.096 18913 231 1 7 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.330 19.804 18913 232 1 7 . 1 1 5 5 CYS H H 5 9.120 9.120 8.481 0.639 18913 233 1 7 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.403 -0.078 18913 234 1 7 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.344 0.383 18913 235 1 7 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.645 -0.194 18913 236 1 7 . 1 1 6 6 VAL H H 6 8.677 8.677 9.145 -0.468 18913 237 1 7 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.500 0.092 18913 238 1 7 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.729 -2.368 18913 239 1 7 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.590 19.577 18913 240 1 7 . 1 1 7 7 CYS H H 7 9.146 9.146 8.788 0.358 18913 241 1 7 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.492 0.024 18913 242 1 7 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.006 -0.483 18913 243 1 7 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.911 -0.125 18913 244 1 7 . 1 1 8 8 ARG H H 8 8.689 8.689 9.068 -0.379 18913 245 1 7 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.030 -0.115 18913 246 1 7 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.502 -0.581 18913 247 1 7 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.936 -0.807 18913 248 1 7 . 1 1 9 9 ARG H H 9 9.577 9.577 9.225 0.352 18913 249 1 7 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.779 0.449 18913 250 1 7 . 1 1 10 10 GLY H H 10 8.683 8.683 8.169 0.514 18913 251 1 7 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.613 -0.336 18913 252 1 7 . 1 1 11 11 VAL CA C 11 61.819 61.819 59.630 2.188 18913 253 1 7 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.044 -0.692 18913 254 1 7 . 1 1 11 11 VAL H H 11 7.809 7.809 7.803 0.006 18913 255 1 7 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.376 0.053 18913 256 1 7 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.339 -2.966 18913 257 1 7 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.567 18.328 18913 258 1 7 . 1 1 12 12 CYS H H 12 9.112 9.112 8.698 0.414 18913 259 1 7 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.754 -0.084 18913 260 1 7 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.078 1.002 18913 261 1 7 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.414 -0.129 18913 262 1 7 . 1 1 13 13 ARG H H 13 8.718 8.718 9.333 -0.615 18913 263 1 7 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.824 0.735 18913 264 1 7 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.669 -3.143 18913 265 1 7 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.957 21.640 18913 266 1 7 . 1 1 14 14 CYS H H 14 9.138 9.138 8.938 0.200 18913 267 1 8 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.048 0.484 18913 268 1 8 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.606 -2.125 18913 269 1 8 . 1 1 5 5 CYS CB C 5 48.134 48.134 29.377 18.757 18913 270 1 8 . 1 1 5 5 CYS H H 5 9.120 9.120 8.531 0.589 18913 271 1 8 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.355 -0.030 18913 272 1 8 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.316 0.411 18913 273 1 8 . 1 1 6 6 VAL CB C 6 35.451 35.451 32.458 2.993 18913 274 1 8 . 1 1 6 6 VAL H H 6 8.677 8.677 9.158 -0.481 18913 275 1 8 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.596 -0.004 18913 276 1 8 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.663 -2.302 18913 277 1 8 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.548 18.619 18913 278 1 8 . 1 1 7 7 CYS H H 7 9.146 9.146 8.949 0.197 18913 279 1 8 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.633 -0.117 18913 280 1 8 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.461 0.062 18913 281 1 8 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.266 0.520 18913 282 1 8 . 1 1 8 8 ARG H H 8 8.689 8.689 9.145 -0.456 18913 283 1 8 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.023 -0.108 18913 284 1 8 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.304 -0.383 18913 285 1 8 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.570 -0.442 18913 286 1 8 . 1 1 9 9 ARG H H 9 9.577 9.577 9.279 0.298 18913 287 1 8 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.775 0.453 18913 288 1 8 . 1 1 10 10 GLY H H 10 8.683 8.683 8.164 0.519 18913 289 1 8 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.473 -0.196 18913 290 1 8 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.956 0.863 18913 291 1 8 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.811 -1.459 18913 292 1 8 . 1 1 11 11 VAL H H 11 7.809 7.809 7.664 0.145 18913 293 1 8 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.535 -0.106 18913 294 1 8 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.665 -2.292 18913 295 1 8 . 1 1 12 12 CYS CB C 12 46.895 46.895 30.077 16.818 18913 296 1 8 . 1 1 12 12 CYS H H 12 9.112 9.112 8.646 0.466 18913 297 1 8 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.746 -0.076 18913 298 1 8 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.530 -0.451 18913 299 1 8 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.958 -1.673 18913 300 1 8 . 1 1 13 13 ARG H H 13 8.718 8.718 9.074 -0.356 18913 301 1 8 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.904 0.655 18913 302 1 8 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.740 -3.214 18913 303 1 8 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.748 21.849 18913 304 1 8 . 1 1 14 14 CYS H H 14 9.138 9.138 8.907 0.231 18913 305 1 9 . 1 1 5 5 CYS HA H 5 5.532 5.532 4.817 0.715 18913 306 1 9 . 1 1 5 5 CYS CA C 5 55.481 55.481 58.090 -2.609 18913 307 1 9 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.464 19.670 18913 308 1 9 . 1 1 5 5 CYS H H 5 9.120 9.120 8.687 0.433 18913 309 1 9 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.463 -0.138 18913 310 1 9 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.218 0.509 18913 311 1 9 . 1 1 6 6 VAL CB C 6 35.451 35.451 33.901 1.550 18913 312 1 9 . 1 1 6 6 VAL H H 6 8.677 8.677 9.179 -0.502 18913 313 1 9 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.315 0.277 18913 314 1 9 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.873 -2.512 18913 315 1 9 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.002 19.166 18913 316 1 9 . 1 1 7 7 CYS H H 7 9.146 9.146 8.839 0.307 18913 317 1 9 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.468 0.048 18913 318 1 9 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.265 0.258 18913 319 1 9 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.075 0.711 18913 320 1 9 . 1 1 8 8 ARG H H 8 8.689 8.689 8.894 -0.205 18913 321 1 9 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.080 -0.165 18913 322 1 9 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.012 -0.091 18913 323 1 9 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.403 -0.275 18913 324 1 9 . 1 1 9 9 ARG H H 9 9.577 9.577 9.177 0.400 18913 325 1 9 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.947 0.281 18913 326 1 9 . 1 1 10 10 GLY H H 10 8.683 8.683 8.268 0.415 18913 327 1 9 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.347 -0.070 18913 328 1 9 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.765 1.054 18913 329 1 9 . 1 1 11 11 VAL CB C 11 33.352 33.352 35.171 -1.819 18913 330 1 9 . 1 1 11 11 VAL H H 11 7.809 7.809 7.601 0.208 18913 331 1 9 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.133 0.296 18913 332 1 9 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.215 -2.842 18913 333 1 9 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.915 18.980 18913 334 1 9 . 1 1 12 12 CYS H H 12 9.112 9.112 8.824 0.288 18913 335 1 9 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.741 -0.071 18913 336 1 9 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.495 -0.416 18913 337 1 9 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.755 -1.470 18913 338 1 9 . 1 1 13 13 ARG H H 13 8.718 8.718 9.139 -0.421 18913 339 1 9 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.930 0.629 18913 340 1 9 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.794 -3.268 18913 341 1 9 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.198 21.399 18913 342 1 9 . 1 1 14 14 CYS H H 14 9.138 9.138 8.845 0.293 18913 343 1 10 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.331 0.201 18913 344 1 10 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.442 -1.961 18913 345 1 10 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.918 19.216 18913 346 1 10 . 1 1 5 5 CYS H H 5 9.120 9.120 8.625 0.495 18913 347 1 10 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.569 -0.244 18913 348 1 10 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.794 0.933 18913 349 1 10 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.690 -0.239 18913 350 1 10 . 1 1 6 6 VAL H H 6 8.677 8.677 9.170 -0.493 18913 351 1 10 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.396 0.196 18913 352 1 10 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.525 -2.164 18913 353 1 10 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.706 19.461 18913 354 1 10 . 1 1 7 7 CYS H H 7 9.146 9.146 8.555 0.591 18913 355 1 10 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.563 -0.047 18913 356 1 10 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.661 -0.138 18913 357 1 10 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.635 0.151 18913 358 1 10 . 1 1 8 8 ARG H H 8 8.689 8.689 9.189 -0.500 18913 359 1 10 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.058 -0.143 18913 360 1 10 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.872 0.049 18913 361 1 10 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.261 -1.133 18913 362 1 10 . 1 1 9 9 ARG H H 9 9.577 9.577 9.289 0.288 18913 363 1 10 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.791 0.437 18913 364 1 10 . 1 1 10 10 GLY H H 10 8.683 8.683 8.156 0.527 18913 365 1 10 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.335 -0.058 18913 366 1 10 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.987 0.832 18913 367 1 10 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.838 0.514 18913 368 1 10 . 1 1 11 11 VAL H H 11 7.809 7.809 7.765 0.044 18913 369 1 10 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.199 0.230 18913 370 1 10 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.288 -2.915 18913 371 1 10 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.394 18.501 18913 372 1 10 . 1 1 12 12 CYS H H 12 9.112 9.112 8.965 0.147 18913 373 1 10 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.749 -0.079 18913 374 1 10 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.287 0.792 18913 375 1 10 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.048 -0.763 18913 376 1 10 . 1 1 13 13 ARG H H 13 8.718 8.718 9.331 -0.613 18913 377 1 10 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.915 0.644 18913 378 1 10 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.924 -3.398 18913 379 1 10 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.106 21.491 18913 380 1 10 . 1 1 14 14 CYS H H 14 9.138 9.138 8.923 0.215 18913 381 1 11 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.386 0.146 18913 382 1 11 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.684 -2.204 18913 383 1 11 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.146 19.988 18913 384 1 11 . 1 1 5 5 CYS H H 5 9.120 9.120 8.495 0.625 18913 385 1 11 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.615 -0.290 18913 386 1 11 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.701 1.026 18913 387 1 11 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.982 -0.531 18913 388 1 11 . 1 1 6 6 VAL H H 6 8.677 8.677 9.224 -0.547 18913 389 1 11 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.534 0.058 18913 390 1 11 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.886 -2.525 18913 391 1 11 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.072 20.095 18913 392 1 11 . 1 1 7 7 CYS H H 7 9.146 9.146 8.735 0.411 18913 393 1 11 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.528 -0.012 18913 394 1 11 . 1 1 8 8 ARG CA C 8 55.523 55.523 54.909 0.614 18913 395 1 11 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.376 0.410 18913 396 1 11 . 1 1 8 8 ARG H H 8 8.689 8.689 9.249 -0.560 18913 397 1 11 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.021 -0.106 18913 398 1 11 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.521 0.400 18913 399 1 11 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.186 -1.058 18913 400 1 11 . 1 1 9 9 ARG H H 9 9.577 9.577 9.174 0.403 18913 401 1 11 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.971 0.257 18913 402 1 11 . 1 1 10 10 GLY H H 10 8.683 8.683 8.269 0.414 18913 403 1 11 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.302 -0.025 18913 404 1 11 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.259 0.560 18913 405 1 11 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.948 0.404 18913 406 1 11 . 1 1 11 11 VAL H H 11 7.809 7.809 7.619 0.190 18913 407 1 11 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.225 0.204 18913 408 1 11 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.211 -2.838 18913 409 1 11 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.904 18.991 18913 410 1 11 . 1 1 12 12 CYS H H 12 9.112 9.112 8.934 0.178 18913 411 1 11 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.746 -0.076 18913 412 1 11 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.176 0.903 18913 413 1 11 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.424 -0.139 18913 414 1 11 . 1 1 13 13 ARG H H 13 8.718 8.718 9.261 -0.543 18913 415 1 11 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.973 0.586 18913 416 1 11 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.598 -3.072 18913 417 1 11 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.240 21.357 18913 418 1 11 . 1 1 14 14 CYS H H 14 9.138 9.138 8.899 0.239 18913 419 1 12 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.366 0.166 18913 420 1 12 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.710 -2.229 18913 421 1 12 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.176 19.958 18913 422 1 12 . 1 1 5 5 CYS H H 5 9.120 9.120 8.530 0.590 18913 423 1 12 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.519 -0.194 18913 424 1 12 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.248 0.479 18913 425 1 12 . 1 1 6 6 VAL CB C 6 35.451 35.451 36.441 -0.991 18913 426 1 12 . 1 1 6 6 VAL H H 6 8.677 8.677 9.127 -0.450 18913 427 1 12 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.538 0.054 18913 428 1 12 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.738 -2.377 18913 429 1 12 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.894 20.273 18913 430 1 12 . 1 1 7 7 CYS H H 7 9.146 9.146 8.781 0.365 18913 431 1 12 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.502 0.014 18913 432 1 12 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.248 -0.725 18913 433 1 12 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.417 -0.631 18913 434 1 12 . 1 1 8 8 ARG H H 8 8.689 8.689 9.237 -0.548 18913 435 1 12 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.053 -0.138 18913 436 1 12 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.598 0.323 18913 437 1 12 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.749 -0.621 18913 438 1 12 . 1 1 9 9 ARG H H 9 9.577 9.577 9.144 0.433 18913 439 1 12 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.744 0.484 18913 440 1 12 . 1 1 10 10 GLY H H 10 8.683 8.683 8.207 0.476 18913 441 1 12 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.467 -0.190 18913 442 1 12 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.954 0.865 18913 443 1 12 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.797 -1.445 18913 444 1 12 . 1 1 11 11 VAL H H 11 7.809 7.809 7.630 0.179 18913 445 1 12 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.419 0.010 18913 446 1 12 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.780 -2.407 18913 447 1 12 . 1 1 12 12 CYS CB C 12 46.895 46.895 29.009 17.886 18913 448 1 12 . 1 1 12 12 CYS H H 12 9.112 9.112 8.714 0.398 18913 449 1 12 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.785 -0.115 18913 450 1 12 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.262 -0.183 18913 451 1 12 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.956 -1.671 18913 452 1 12 . 1 1 13 13 ARG H H 13 8.718 8.718 9.319 -0.601 18913 453 1 12 . 1 1 14 14 CYS HA H 14 5.559 5.559 5.020 0.539 18913 454 1 12 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.760 -3.234 18913 455 1 12 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.873 21.724 18913 456 1 12 . 1 1 14 14 CYS H H 14 9.138 9.138 8.874 0.264 18913 457 1 13 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.244 0.288 18913 458 1 13 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.691 -2.210 18913 459 1 13 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.665 19.469 18913 460 1 13 . 1 1 5 5 CYS H H 5 9.120 9.120 8.660 0.460 18913 461 1 13 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.408 -0.083 18913 462 1 13 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.999 0.728 18913 463 1 13 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.438 0.013 18913 464 1 13 . 1 1 6 6 VAL H H 6 8.677 8.677 9.065 -0.388 18913 465 1 13 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.560 0.032 18913 466 1 13 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.171 -1.810 18913 467 1 13 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.041 20.126 18913 468 1 13 . 1 1 7 7 CYS H H 7 9.146 9.146 8.696 0.450 18913 469 1 13 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.621 -0.105 18913 470 1 13 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.101 0.422 18913 471 1 13 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.400 0.386 18913 472 1 13 . 1 1 8 8 ARG H H 8 8.689 8.689 9.154 -0.465 18913 473 1 13 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.026 -0.111 18913 474 1 13 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.266 -0.345 18913 475 1 13 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.520 -0.392 18913 476 1 13 . 1 1 9 9 ARG H H 9 9.577 9.577 9.291 0.286 18913 477 1 13 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.919 0.309 18913 478 1 13 . 1 1 10 10 GLY H H 10 8.683 8.683 8.192 0.491 18913 479 1 13 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.307 -0.030 18913 480 1 13 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.897 0.922 18913 481 1 13 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.686 0.666 18913 482 1 13 . 1 1 11 11 VAL H H 11 7.809 7.809 7.766 0.043 18913 483 1 13 . 1 1 12 12 CYS HA H 12 5.429 5.429 4.912 0.517 18913 484 1 13 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.563 -3.190 18913 485 1 13 . 1 1 12 12 CYS CB C 12 46.895 46.895 26.947 19.948 18913 486 1 13 . 1 1 12 12 CYS H H 12 9.112 9.112 9.072 0.040 18913 487 1 13 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.750 -0.080 18913 488 1 13 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.898 0.181 18913 489 1 13 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.107 -0.822 18913 490 1 13 . 1 1 13 13 ARG H H 13 8.718 8.718 9.238 -0.520 18913 491 1 13 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.884 0.675 18913 492 1 13 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.699 -3.173 18913 493 1 13 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.165 21.432 18913 494 1 13 . 1 1 14 14 CYS H H 14 9.138 9.138 8.895 0.243 18913 495 1 14 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.268 0.264 18913 496 1 14 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.518 -2.037 18913 497 1 14 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.258 19.877 18913 498 1 14 . 1 1 5 5 CYS H H 5 9.120 9.120 8.537 0.583 18913 499 1 14 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.391 -0.066 18913 500 1 14 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.278 0.449 18913 501 1 14 . 1 1 6 6 VAL CB C 6 35.451 35.451 34.333 1.119 18913 502 1 14 . 1 1 6 6 VAL H H 6 8.677 8.677 9.233 -0.556 18913 503 1 14 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.433 0.159 18913 504 1 14 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.807 -2.446 18913 505 1 14 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.630 20.538 18913 506 1 14 . 1 1 7 7 CYS H H 7 9.146 9.146 8.943 0.203 18913 507 1 14 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.491 0.025 18913 508 1 14 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.168 -0.645 18913 509 1 14 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.025 -0.239 18913 510 1 14 . 1 1 8 8 ARG H H 8 8.689 8.689 9.196 -0.507 18913 511 1 14 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.067 -0.152 18913 512 1 14 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.394 0.527 18913 513 1 14 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.535 -0.407 18913 514 1 14 . 1 1 9 9 ARG H H 9 9.577 9.577 9.166 0.411 18913 515 1 14 . 1 1 10 10 GLY CA C 10 45.228 45.228 45.019 0.209 18913 516 1 14 . 1 1 10 10 GLY H H 10 8.683 8.683 8.239 0.444 18913 517 1 14 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.303 -0.026 18913 518 1 14 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.751 0.068 18913 519 1 14 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.010 0.342 18913 520 1 14 . 1 1 11 11 VAL H H 11 7.809 7.809 7.529 0.280 18913 521 1 14 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.078 0.351 18913 522 1 14 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.334 -2.961 18913 523 1 14 . 1 1 12 12 CYS CB C 12 46.895 46.895 26.790 20.105 18913 524 1 14 . 1 1 12 12 CYS H H 12 9.112 9.112 9.066 0.046 18913 525 1 14 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.767 -0.097 18913 526 1 14 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.886 0.193 18913 527 1 14 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.331 -1.046 18913 528 1 14 . 1 1 13 13 ARG H H 13 8.718 8.718 9.224 -0.506 18913 529 1 14 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.861 0.698 18913 530 1 14 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.609 -3.083 18913 531 1 14 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.881 21.716 18913 532 1 14 . 1 1 14 14 CYS H H 14 9.138 9.138 8.907 0.231 18913 533 1 15 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.168 0.364 18913 534 1 15 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.597 -2.116 18913 535 1 15 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.788 19.346 18913 536 1 15 . 1 1 5 5 CYS H H 5 9.120 9.120 8.500 0.620 18913 537 1 15 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.422 -0.097 18913 538 1 15 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.016 0.711 18913 539 1 15 . 1 1 6 6 VAL CB C 6 35.451 35.451 34.555 0.896 18913 540 1 15 . 1 1 6 6 VAL H H 6 8.677 8.677 9.212 -0.535 18913 541 1 15 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.434 0.158 18913 542 1 15 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.954 -2.593 18913 543 1 15 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.215 19.952 18913 544 1 15 . 1 1 7 7 CYS H H 7 9.146 9.146 8.886 0.260 18913 545 1 15 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.520 -0.004 18913 546 1 15 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.170 -0.647 18913 547 1 15 . 1 1 8 8 ARG CB C 8 32.786 32.786 33.385 -0.599 18913 548 1 15 . 1 1 8 8 ARG H H 8 8.689 8.689 9.304 -0.615 18913 549 1 15 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.050 -0.135 18913 550 1 15 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.656 0.265 18913 551 1 15 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.817 -0.689 18913 552 1 15 . 1 1 9 9 ARG H H 9 9.577 9.577 9.170 0.407 18913 553 1 15 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.621 0.607 18913 554 1 15 . 1 1 10 10 GLY H H 10 8.683 8.683 8.131 0.552 18913 555 1 15 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.497 -0.220 18913 556 1 15 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.924 0.895 18913 557 1 15 . 1 1 11 11 VAL CB C 11 33.352 33.352 35.038 -1.686 18913 558 1 15 . 1 1 11 11 VAL H H 11 7.809 7.809 7.664 0.145 18913 559 1 15 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.291 0.138 18913 560 1 15 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.514 -2.141 18913 561 1 15 . 1 1 12 12 CYS CB C 12 46.895 46.895 27.364 19.531 18913 562 1 15 . 1 1 12 12 CYS H H 12 9.112 9.112 8.617 0.495 18913 563 1 15 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.744 -0.074 18913 564 1 15 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.879 0.200 18913 565 1 15 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.398 -0.113 18913 566 1 15 . 1 1 13 13 ARG H H 13 8.718 8.718 9.266 -0.548 18913 567 1 15 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.616 0.943 18913 568 1 15 . 1 1 14 14 CYS CA C 14 55.526 55.526 59.298 -3.772 18913 569 1 15 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.840 21.758 18913 570 1 15 . 1 1 14 14 CYS H H 14 9.138 9.138 8.921 0.217 18913 571 1 16 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.285 0.247 18913 572 1 16 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.909 -2.428 18913 573 1 16 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.905 20.229 18913 574 1 16 . 1 1 5 5 CYS H H 5 9.120 9.120 8.565 0.555 18913 575 1 16 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.540 -0.215 18913 576 1 16 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.759 0.968 18913 577 1 16 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.879 -0.428 18913 578 1 16 . 1 1 6 6 VAL H H 6 8.677 8.677 9.267 -0.590 18913 579 1 16 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.425 0.167 18913 580 1 16 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.656 -2.295 18913 581 1 16 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.375 18.792 18913 582 1 16 . 1 1 7 7 CYS H H 7 9.146 9.146 8.768 0.378 18913 583 1 16 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.650 -0.134 18913 584 1 16 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.275 0.248 18913 585 1 16 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.078 0.708 18913 586 1 16 . 1 1 8 8 ARG H H 8 8.689 8.689 9.190 -0.501 18913 587 1 16 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.008 -0.093 18913 588 1 16 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.581 0.340 18913 589 1 16 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.611 -0.483 18913 590 1 16 . 1 1 9 9 ARG H H 9 9.577 9.577 9.233 0.344 18913 591 1 16 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.776 0.452 18913 592 1 16 . 1 1 10 10 GLY H H 10 8.683 8.683 8.040 0.643 18913 593 1 16 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.314 -0.037 18913 594 1 16 . 1 1 11 11 VAL CA C 11 61.819 61.819 62.097 -0.278 18913 595 1 16 . 1 1 11 11 VAL CB C 11 33.352 33.352 32.608 0.744 18913 596 1 16 . 1 1 11 11 VAL H H 11 7.809 7.809 7.807 0.002 18913 597 1 16 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.476 -0.047 18913 598 1 16 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.295 -1.922 18913 599 1 16 . 1 1 12 12 CYS CB C 12 46.895 46.895 30.734 16.161 18913 600 1 16 . 1 1 12 12 CYS H H 12 9.112 9.112 8.807 0.305 18913 601 1 16 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.733 -0.063 18913 602 1 16 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.649 -0.570 18913 603 1 16 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.463 -1.178 18913 604 1 16 . 1 1 13 13 ARG H H 13 8.718 8.718 9.244 -0.526 18913 605 1 16 . 1 1 14 14 CYS HA H 14 5.559 5.559 5.174 0.385 18913 606 1 16 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.155 -2.629 18913 607 1 16 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.045 21.552 18913 608 1 16 . 1 1 14 14 CYS H H 14 9.138 9.138 8.797 0.341 18913 609 1 17 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.232 0.300 18913 610 1 17 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.583 -2.102 18913 611 1 17 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.304 19.830 18913 612 1 17 . 1 1 5 5 CYS H H 5 9.120 9.120 8.506 0.614 18913 613 1 17 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.374 -0.049 18913 614 1 17 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.637 0.090 18913 615 1 17 . 1 1 6 6 VAL CB C 6 35.451 35.451 34.075 1.376 18913 616 1 17 . 1 1 6 6 VAL H H 6 8.677 8.677 9.209 -0.532 18913 617 1 17 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.528 0.064 18913 618 1 17 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.498 -2.138 18913 619 1 17 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.729 18.438 18913 620 1 17 . 1 1 7 7 CYS H H 7 9.146 9.146 8.765 0.381 18913 621 1 17 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.439 0.077 18913 622 1 17 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.120 -0.597 18913 623 1 17 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.715 0.071 18913 624 1 17 . 1 1 8 8 ARG H H 8 8.689 8.689 9.081 -0.392 18913 625 1 17 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.055 -0.140 18913 626 1 17 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.850 0.071 18913 627 1 17 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.344 -0.216 18913 628 1 17 . 1 1 9 9 ARG H H 9 9.577 9.577 9.114 0.463 18913 629 1 17 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.806 0.422 18913 630 1 17 . 1 1 10 10 GLY H H 10 8.683 8.683 8.382 0.301 18913 631 1 17 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.668 -0.391 18913 632 1 17 . 1 1 11 11 VAL CA C 11 61.819 61.819 59.880 1.939 18913 633 1 17 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.816 -1.464 18913 634 1 17 . 1 1 11 11 VAL H H 11 7.809 7.809 7.637 0.172 18913 635 1 17 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.406 0.023 18913 636 1 17 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.179 -2.806 18913 637 1 17 . 1 1 12 12 CYS CB C 12 46.895 46.895 29.254 17.641 18913 638 1 17 . 1 1 12 12 CYS H H 12 9.112 9.112 8.550 0.562 18913 639 1 17 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.792 -0.122 18913 640 1 17 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.857 0.222 18913 641 1 17 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.968 -0.683 18913 642 1 17 . 1 1 13 13 ARG H H 13 8.718 8.718 9.215 -0.497 18913 643 1 17 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.762 0.797 18913 644 1 17 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.767 -3.241 18913 645 1 17 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.667 21.930 18913 646 1 17 . 1 1 14 14 CYS H H 14 9.138 9.138 8.921 0.217 18913 647 1 18 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.219 0.313 18913 648 1 18 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.593 -2.112 18913 649 1 18 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.236 19.898 18913 650 1 18 . 1 1 5 5 CYS H H 5 9.120 9.120 8.608 0.512 18913 651 1 18 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.436 -0.111 18913 652 1 18 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.317 0.410 18913 653 1 18 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.633 -0.182 18913 654 1 18 . 1 1 6 6 VAL H H 6 8.677 8.677 9.134 -0.457 18913 655 1 18 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.625 -0.033 18913 656 1 18 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.756 -2.395 18913 657 1 18 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.558 18.609 18913 658 1 18 . 1 1 7 7 CYS H H 7 9.146 9.146 8.867 0.279 18913 659 1 18 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.668 -0.152 18913 660 1 18 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.145 0.378 18913 661 1 18 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.631 0.155 18913 662 1 18 . 1 1 8 8 ARG H H 8 8.689 8.689 9.304 -0.615 18913 663 1 18 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.018 -0.103 18913 664 1 18 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.589 0.332 18913 665 1 18 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.947 -0.819 18913 666 1 18 . 1 1 9 9 ARG H H 9 9.577 9.577 9.285 0.292 18913 667 1 18 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.828 0.400 18913 668 1 18 . 1 1 10 10 GLY H H 10 8.683 8.683 8.193 0.490 18913 669 1 18 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.315 -0.038 18913 670 1 18 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.319 0.500 18913 671 1 18 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.141 -0.789 18913 672 1 18 . 1 1 11 11 VAL H H 11 7.809 7.809 7.788 0.021 18913 673 1 18 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.456 -0.027 18913 674 1 18 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.847 -2.474 18913 675 1 18 . 1 1 12 12 CYS CB C 12 46.895 46.895 30.134 16.761 18913 676 1 18 . 1 1 12 12 CYS H H 12 9.112 9.112 8.747 0.365 18913 677 1 18 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.703 -0.033 18913 678 1 18 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.781 0.298 18913 679 1 18 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.945 -0.660 18913 680 1 18 . 1 1 13 13 ARG H H 13 8.718 8.718 9.346 -0.628 18913 681 1 18 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.922 0.637 18913 682 1 18 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.914 -3.388 18913 683 1 18 . 1 1 14 14 CYS CB C 14 47.597 47.597 26.168 21.429 18913 684 1 18 . 1 1 14 14 CYS H H 14 9.138 9.138 8.878 0.260 18913 685 1 19 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.327 0.205 18913 686 1 19 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.565 -2.084 18913 687 1 19 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.592 20.542 18913 688 1 19 . 1 1 5 5 CYS H H 5 9.120 9.120 8.583 0.537 18913 689 1 19 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.440 -0.115 18913 690 1 19 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.182 0.545 18913 691 1 19 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.852 -0.401 18913 692 1 19 . 1 1 6 6 VAL H H 6 8.677 8.677 9.216 -0.539 18913 693 1 19 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.573 0.019 18913 694 1 19 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.804 -2.443 18913 695 1 19 . 1 1 7 7 CYS CB C 7 48.167 48.167 27.946 20.221 18913 696 1 19 . 1 1 7 7 CYS H H 7 9.146 9.146 8.814 0.332 18913 697 1 19 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.439 0.077 18913 698 1 19 . 1 1 8 8 ARG CA C 8 55.523 55.523 56.094 -0.571 18913 699 1 19 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.695 0.091 18913 700 1 19 . 1 1 8 8 ARG H H 8 8.689 8.689 8.984 -0.295 18913 701 1 19 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.078 -0.163 18913 702 1 19 . 1 1 9 9 ARG CA C 9 56.921 56.921 57.326 -0.405 18913 703 1 19 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.312 -0.184 18913 704 1 19 . 1 1 9 9 ARG H H 9 9.577 9.577 9.175 0.402 18913 705 1 19 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.826 0.402 18913 706 1 19 . 1 1 10 10 GLY H H 10 8.683 8.683 8.271 0.412 18913 707 1 19 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.684 -0.407 18913 708 1 19 . 1 1 11 11 VAL CA C 11 61.819 61.819 59.721 2.098 18913 709 1 19 . 1 1 11 11 VAL CB C 11 33.352 33.352 34.784 -1.432 18913 710 1 19 . 1 1 11 11 VAL H H 11 7.809 7.809 7.707 0.102 18913 711 1 19 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.539 -0.110 18913 712 1 19 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.016 -2.643 18913 713 1 19 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.509 18.386 18913 714 1 19 . 1 1 12 12 CYS H H 12 9.112 9.112 8.433 0.679 18913 715 1 19 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.787 -0.117 18913 716 1 19 . 1 1 13 13 ARG CA C 13 55.079 55.079 55.161 -0.082 18913 717 1 19 . 1 1 13 13 ARG CB C 13 32.285 32.285 34.398 -2.113 18913 718 1 19 . 1 1 13 13 ARG H H 13 8.718 8.718 9.290 -0.572 18913 719 1 19 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.938 0.621 18913 720 1 19 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.934 -3.408 18913 721 1 19 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.581 22.016 18913 722 1 19 . 1 1 14 14 CYS H H 14 9.138 9.138 8.826 0.312 18913 723 1 20 . 1 1 5 5 CYS HA H 5 5.532 5.532 5.381 0.151 18913 724 1 20 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.459 -1.978 18913 725 1 20 . 1 1 5 5 CYS CB C 5 48.134 48.134 27.963 20.171 18913 726 1 20 . 1 1 5 5 CYS H H 5 9.120 9.120 8.714 0.406 18913 727 1 20 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.595 -0.270 18913 728 1 20 . 1 1 6 6 VAL CA C 6 61.727 61.727 60.936 0.791 18913 729 1 20 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.616 -0.165 18913 730 1 20 . 1 1 6 6 VAL H H 6 8.677 8.677 9.237 -0.560 18913 731 1 20 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.529 0.063 18913 732 1 20 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.741 -2.380 18913 733 1 20 . 1 1 7 7 CYS CB C 7 48.167 48.167 29.787 18.380 18913 734 1 20 . 1 1 7 7 CYS H H 7 9.146 9.146 8.479 0.667 18913 735 1 20 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.552 -0.036 18913 736 1 20 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.093 0.430 18913 737 1 20 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.699 0.087 18913 738 1 20 . 1 1 8 8 ARG H H 8 8.689 8.689 9.253 -0.564 18913 739 1 20 . 1 1 9 9 ARG HA H 9 3.915 3.915 3.994 -0.079 18913 740 1 20 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.662 0.259 18913 741 1 20 . 1 1 9 9 ARG CB C 9 28.128 28.128 29.159 -1.031 18913 742 1 20 . 1 1 9 9 ARG H H 9 9.577 9.577 9.191 0.386 18913 743 1 20 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.934 0.293 18913 744 1 20 . 1 1 10 10 GLY H H 10 8.683 8.683 8.214 0.469 18913 745 1 20 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.221 0.056 18913 746 1 20 . 1 1 11 11 VAL CA C 11 61.819 61.819 61.763 0.056 18913 747 1 20 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.184 0.169 18913 748 1 20 . 1 1 11 11 VAL H H 11 7.809 7.809 7.741 0.068 18913 749 1 20 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.340 0.089 18913 750 1 20 . 1 1 12 12 CYS CA C 12 55.373 55.373 57.826 -2.453 18913 751 1 20 . 1 1 12 12 CYS CB C 12 46.895 46.895 29.077 17.818 18913 752 1 20 . 1 1 12 12 CYS H H 12 9.112 9.112 8.978 0.134 18913 753 1 20 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.816 -0.146 18913 754 1 20 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.819 0.260 18913 755 1 20 . 1 1 13 13 ARG CB C 13 32.285 32.285 32.723 -0.438 18913 756 1 20 . 1 1 13 13 ARG H H 13 8.718 8.718 9.287 -0.569 18913 757 1 20 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.916 0.643 18913 758 1 20 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.542 -3.016 18913 759 1 20 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.474 22.123 18913 760 1 20 . 1 1 14 14 CYS H H 14 9.138 9.138 8.859 0.279 18913 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 18913 2 1 1 "Average Difference" HA 11 0.300 -0.144 0.276 18913 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18913 4 1 1 "Average Difference" CA 10 1.841 1.053 1.592 18913 5 1 1 "Average Difference" CB 9 13.642 -9.010 10.865 18913 6 1 1 "Average Difference" HN 10 0.378 0.003 0.398 18913 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18913 8 1 2 "Average Difference" HA 11 0.300 -0.091 0.300 18913 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18913 10 1 2 "Average Difference" CA 10 1.810 0.799 1.711 18913 11 1 2 "Average Difference" CB 9 13.209 -8.455 10.764 18913 12 1 2 "Average Difference" HN 10 0.435 -0.094 0.448 18913 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18913 14 1 3 "Average Difference" HA 11 0.350 -0.168 0.322 18913 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18913 16 1 3 "Average Difference" CA 10 1.773 0.990 1.551 18913 17 1 3 "Average Difference" CB 9 13.681 -9.136 10.802 18913 18 1 3 "Average Difference" HN 10 0.377 -0.043 0.395 18913 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18913 20 1 4 "Average Difference" HA 11 0.321 -0.131 0.307 18913 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18913 22 1 4 "Average Difference" CA 10 1.932 0.807 1.850 18913 23 1 4 "Average Difference" CB 9 12.981 -8.663 10.254 18913 24 1 4 "Average Difference" HN 10 0.400 -0.113 0.404 18913 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18913 26 1 5 "Average Difference" HA 11 0.356 -0.181 0.321 18913 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18913 28 1 5 "Average Difference" CA 10 1.776 0.927 1.597 18913 29 1 5 "Average Difference" CB 9 13.076 -8.578 10.467 18913 30 1 5 "Average Difference" HN 10 0.432 -0.107 0.441 18913 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18913 32 1 6 "Average Difference" HA 11 0.368 -0.139 0.357 18913 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18913 34 1 6 "Average Difference" CA 10 1.747 1.032 1.485 18913 35 1 6 "Average Difference" CB 9 13.698 -8.630 11.282 18913 36 1 6 "Average Difference" HN 10 0.387 -0.053 0.404 18913 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18913 38 1 7 "Average Difference" HA 11 0.308 -0.095 0.308 18913 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18913 40 1 7 "Average Difference" CA 10 1.881 0.762 1.813 18913 41 1 7 "Average Difference" CB 9 13.254 -8.600 10.696 18913 42 1 7 "Average Difference" HN 10 0.433 -0.102 0.444 18913 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18913 44 1 8 "Average Difference" HA 11 0.310 -0.096 0.310 18913 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18913 46 1 8 "Average Difference" CA 10 1.639 0.898 1.446 18913 47 1 8 "Average Difference" CB 9 12.794 -8.442 10.196 18913 48 1 8 "Average Difference" HN 10 0.400 -0.115 0.404 18913 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18913 50 1 9 "Average Difference" HA 11 0.367 -0.194 0.326 18913 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18913 52 1 9 "Average Difference" CA 10 1.832 0.964 1.643 18913 53 1 9 "Average Difference" CB 9 13.253 -8.657 10.644 18913 54 1 9 "Average Difference" HN 10 0.360 -0.121 0.357 18913 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18913 56 1 10 "Average Difference" HA 11 0.295 -0.114 0.285 18913 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18913 58 1 10 "Average Difference" CA 10 1.760 0.753 1.677 18913 59 1 10 "Average Difference" CB 9 13.142 -8.578 10.560 18913 60 1 10 "Average Difference" HN 10 0.435 -0.070 0.453 18913 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18913 62 1 11 "Average Difference" HA 11 0.279 -0.099 0.273 18913 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18913 64 1 11 "Average Difference" CA 10 1.775 0.688 1.725 18913 65 1 11 "Average Difference" CB 9 13.424 -8.835 10.720 18913 66 1 11 "Average Difference" HN 10 0.439 -0.081 0.455 18913 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18913 68 1 12 "Average Difference" HA 11 0.265 -0.068 0.269 18913 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18913 70 1 12 "Average Difference" CA 10 1.695 0.900 1.514 18913 71 1 12 "Average Difference" CB 9 13.366 -8.276 11.132 18913 72 1 12 "Average Difference" HN 10 0.449 -0.111 0.459 18913 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18913 74 1 13 "Average Difference" HA 11 0.327 -0.153 0.303 18913 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18913 76 1 13 "Average Difference" CA 10 1.738 0.817 1.617 18913 77 1 13 "Average Difference" CB 9 13.511 -8.981 10.706 18913 78 1 13 "Average Difference" HN 10 0.379 -0.064 0.394 18913 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18913 80 1 14 "Average Difference" HA 11 0.320 -0.166 0.288 18913 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18913 82 1 14 "Average Difference" CA 10 1.714 0.973 1.488 18913 83 1 14 "Average Difference" CB 9 13.725 -9.112 10.887 18913 84 1 14 "Average Difference" HN 10 0.413 -0.063 0.430 18913 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18913 86 1 15 "Average Difference" HA 11 0.364 -0.148 0.349 18913 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18913 88 1 15 "Average Difference" CA 10 1.795 0.859 1.661 18913 89 1 15 "Average Difference" CB 9 13.465 -8.711 10.891 18913 90 1 15 "Average Difference" HN 10 0.469 -0.100 0.483 18913 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18913 92 1 16 "Average Difference" HA 11 0.248 -0.076 0.248 18913 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18913 94 1 16 "Average Difference" CA 10 1.532 0.811 1.370 18913 95 1 16 "Average Difference" CB 9 12.871 -8.455 10.292 18913 96 1 16 "Average Difference" HN 10 0.455 -0.095 0.469 18913 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18913 98 1 17 "Average Difference" HA 11 0.343 -0.109 0.341 18913 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18913 100 1 17 "Average Difference" CA 10 1.781 0.814 1.670 18913 101 1 17 "Average Difference" CB 9 13.038 -8.547 10.443 18913 102 1 17 "Average Difference" HN 10 0.436 -0.129 0.439 18913 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18913 104 1 18 "Average Difference" HA 11 0.284 -0.094 0.281 18913 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18913 106 1 18 "Average Difference" CA 10 1.695 0.805 1.572 18913 107 1 18 "Average Difference" CB 9 12.842 -8.267 10.423 18913 108 1 18 "Average Difference" HN 10 0.430 -0.052 0.450 18913 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18913 110 1 19 "Average Difference" HA 11 0.299 -0.051 0.309 18913 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18913 112 1 19 "Average Difference" CA 10 1.851 0.859 1.728 18913 113 1 19 "Average Difference" CB 9 13.582 -8.569 11.177 18913 114 1 19 "Average Difference" HN 10 0.447 -0.137 0.449 18913 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18913 116 1 20 "Average Difference" HA 11 0.288 -0.100 0.283 18913 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18913 118 1 20 "Average Difference" CA 10 1.604 0.774 1.481 18913 119 1 20 "Average Difference" CB 9 13.136 -8.568 10.561 18913 120 1 20 "Average Difference" HN 10 0.451 -0.072 0.470 18913 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 18913 _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 5 5 CYS HA H 5 5.532 5.532 5.243 0.289 18913 2 1 . 1 1 5 5 CYS CA C 5 55.481 55.481 57.619 -2.138 18913 3 1 . 1 1 5 5 CYS CB C 5 48.134 48.134 28.379 19.755 18913 4 1 . 1 1 5 5 CYS H H 5 9.120 9.120 8.578 0.542 18913 5 1 . 1 1 6 6 VAL HA H 6 4.325 4.325 4.462 -0.137 18913 6 1 . 1 1 6 6 VAL CA C 6 61.727 61.727 61.159 0.568 18913 7 1 . 1 1 6 6 VAL CB C 6 35.451 35.451 35.106 0.345 18913 8 1 . 1 1 6 6 VAL H H 6 8.677 8.677 9.173 -0.495 18913 9 1 . 1 1 7 7 CYS HA H 7 5.592 5.592 5.495 0.097 18913 10 1 . 1 1 7 7 CYS CA C 7 55.361 55.361 57.722 -2.361 18913 11 1 . 1 1 7 7 CYS CB C 7 48.167 48.167 28.652 19.515 18913 12 1 . 1 1 7 7 CYS H H 7 9.146 9.146 8.781 0.365 18913 13 1 . 1 1 8 8 ARG HA H 8 4.516 4.516 4.530 -0.014 18913 14 1 . 1 1 8 8 ARG CA C 8 55.523 55.523 55.671 -0.148 18913 15 1 . 1 1 8 8 ARG CB C 8 32.786 32.786 32.732 0.054 18913 16 1 . 1 1 8 8 ARG H H 8 8.689 8.689 9.175 -0.486 18913 17 1 . 1 1 9 9 ARG HA H 9 3.915 3.915 4.042 -0.127 18913 18 1 . 1 1 9 9 ARG CA C 9 56.921 56.921 56.873 0.048 18913 19 1 . 1 1 9 9 ARG CB C 9 28.128 28.128 28.772 -0.644 18913 20 1 . 1 1 9 9 ARG H H 9 9.577 9.577 9.223 0.353 18913 21 1 . 1 1 10 10 GLY CA C 10 45.228 45.228 44.858 0.370 18913 22 1 . 1 1 10 10 GLY H H 10 8.683 8.683 8.253 0.430 18913 23 1 . 1 1 11 11 VAL HA H 11 4.277 4.277 4.412 -0.135 18913 24 1 . 1 1 11 11 VAL CA C 11 61.819 61.819 60.951 0.868 18913 25 1 . 1 1 11 11 VAL CB C 11 33.352 33.352 33.793 -0.441 18913 26 1 . 1 1 11 11 VAL H H 11 7.809 7.809 7.671 0.138 18913 27 1 . 1 1 12 12 CYS HA H 12 5.429 5.429 5.266 0.163 18913 28 1 . 1 1 12 12 CYS CA C 12 55.373 55.373 58.075 -2.702 18913 29 1 . 1 1 12 12 CYS CB C 12 46.895 46.895 28.402 18.493 18913 30 1 . 1 1 12 12 CYS H H 12 9.112 9.112 8.813 0.299 18913 31 1 . 1 1 13 13 ARG HA H 13 4.670 4.670 4.756 -0.086 18913 32 1 . 1 1 13 13 ARG CA C 13 55.079 55.079 54.923 0.156 18913 33 1 . 1 1 13 13 ARG CB C 13 32.285 32.285 33.156 -0.871 18913 34 1 . 1 1 13 13 ARG H H 13 8.718 8.718 9.243 -0.525 18913 35 1 . 1 1 14 14 CYS HA H 14 5.559 5.559 4.869 0.690 18913 36 1 . 1 1 14 14 CYS CA C 14 55.526 55.526 58.828 -3.302 18913 37 1 . 1 1 14 14 CYS CB C 14 47.597 47.597 25.921 21.676 18913 38 1 . 1 1 14 14 CYS H H 14 9.138 9.138 8.899 0.239 18913 stop_ save_