data_25129 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25129 _Entry.PDB_ID 2MSQ 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 25129 _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 CYS HA H 2 4.583 4.583 4.485 0.098 25129 2 1 1 . 1 1 2 2 CYS H H 2 7.947 7.947 8.382 -0.435 25129 3 1 1 . 1 1 3 3 GLY H H 3 7.215 7.215 7.229 -0.014 25129 4 1 1 . 1 1 4 4 GLY H H 4 7.860 7.860 8.131 -0.271 25129 5 1 1 . 1 1 5 5 SER HA H 5 4.743 4.743 4.842 -0.099 25129 6 1 1 . 1 1 5 5 SER H H 5 7.954 7.954 8.431 -0.477 25129 7 1 1 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.490 -0.136 25129 8 1 1 . 1 1 6 6 CYS H H 6 8.675 8.675 9.072 -0.397 25129 9 1 1 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.503 -0.071 25129 10 1 1 . 1 1 7 7 PHE H H 7 8.274 8.274 8.461 -0.187 25129 11 1 1 . 1 1 8 8 GLY H H 8 8.181 8.181 7.464 0.717 25129 12 1 1 . 1 1 9 9 GLY H H 9 7.766 7.766 7.356 0.410 25129 13 1 1 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.508 0.446 25129 14 1 1 . 1 1 10 10 CYS H H 10 8.933 8.933 8.525 0.408 25129 15 1 1 . 1 1 14 14 CYS HA H 14 5.208 5.208 5.080 0.128 25129 16 1 1 . 1 1 14 14 CYS H H 14 8.409 8.409 7.873 0.536 25129 17 1 1 . 1 1 15 15 SER HA H 15 4.858 4.858 4.715 0.143 25129 18 1 1 . 1 1 15 15 SER H H 15 9.120 9.120 8.339 0.781 25129 19 1 1 . 1 1 16 16 CYS HA H 16 5.038 5.038 4.976 0.062 25129 20 1 1 . 1 1 16 16 CYS H H 16 9.014 9.014 8.548 0.466 25129 21 1 1 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.678 -0.039 25129 22 1 1 . 1 1 17 17 TYR H H 17 9.557 9.557 9.121 0.436 25129 23 1 1 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.704 0.116 25129 24 1 1 . 1 1 18 18 ALA H H 18 8.781 8.781 8.601 0.180 25129 25 1 1 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.894 -0.043 25129 26 1 1 . 1 1 19 19 ARG H H 19 8.533 8.533 8.560 -0.027 25129 27 1 1 . 1 1 20 20 THR HA H 20 4.769 4.769 4.564 0.205 25129 28 1 1 . 1 1 20 20 THR H H 20 8.239 8.239 7.453 0.786 25129 29 1 1 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.691 -0.506 25129 30 1 1 . 1 1 21 21 CYS H H 21 8.569 8.569 8.974 -0.405 25129 31 1 1 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.769 0.310 25129 32 1 1 . 1 1 22 22 PHE H H 22 9.600 9.600 8.212 1.388 25129 33 1 1 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.680 -0.284 25129 34 1 1 . 1 1 23 23 ARG H H 23 8.563 8.563 7.861 0.702 25129 35 1 1 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.352 0.019 25129 36 1 1 . 1 1 24 24 ASP H H 24 9.081 9.081 8.621 0.460 25129 37 1 1 . 1 1 25 25 GLY H H 25 8.638 8.638 8.536 0.102 25129 38 1 1 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.704 0.316 25129 39 1 1 . 1 1 26 26 LEU H H 26 8.042 8.042 7.855 0.187 25129 40 1 2 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.449 0.134 25129 41 1 2 . 1 1 2 2 CYS H H 2 7.947 7.947 8.156 -0.209 25129 42 1 2 . 1 1 3 3 GLY H H 3 7.215 7.215 7.440 -0.225 25129 43 1 2 . 1 1 4 4 GLY H H 4 7.860 7.860 8.228 -0.368 25129 44 1 2 . 1 1 5 5 SER HA H 5 4.743 4.743 4.830 -0.087 25129 45 1 2 . 1 1 5 5 SER H H 5 7.954 7.954 8.395 -0.441 25129 46 1 2 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.527 -0.173 25129 47 1 2 . 1 1 6 6 CYS H H 6 8.675 8.675 8.898 -0.223 25129 48 1 2 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.514 -0.082 25129 49 1 2 . 1 1 7 7 PHE H H 7 8.274 8.274 8.342 -0.068 25129 50 1 2 . 1 1 8 8 GLY H H 8 8.181 8.181 7.596 0.585 25129 51 1 2 . 1 1 9 9 GLY H H 9 7.766 7.766 7.315 0.451 25129 52 1 2 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.381 0.573 25129 53 1 2 . 1 1 10 10 CYS H H 10 8.933 8.933 8.509 0.424 25129 54 1 2 . 1 1 14 14 CYS HA H 14 5.208 5.208 5.167 0.041 25129 55 1 2 . 1 1 14 14 CYS H H 14 8.409 8.409 7.932 0.477 25129 56 1 2 . 1 1 15 15 SER HA H 15 4.858 4.858 4.882 -0.024 25129 57 1 2 . 1 1 15 15 SER H H 15 9.120 9.120 8.698 0.422 25129 58 1 2 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.423 -0.385 25129 59 1 2 . 1 1 16 16 CYS H H 16 9.014 9.014 8.592 0.422 25129 60 1 2 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.607 0.032 25129 61 1 2 . 1 1 17 17 TYR H H 17 9.557 9.557 9.025 0.532 25129 62 1 2 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.774 0.046 25129 63 1 2 . 1 1 18 18 ALA H H 18 8.781 8.781 8.661 0.120 25129 64 1 2 . 1 1 19 19 ARG HA H 19 3.851 3.851 4.044 -0.193 25129 65 1 2 . 1 1 19 19 ARG H H 19 8.533 8.533 8.728 -0.195 25129 66 1 2 . 1 1 20 20 THR HA H 20 4.769 4.769 4.632 0.137 25129 67 1 2 . 1 1 20 20 THR H H 20 8.239 8.239 7.751 0.488 25129 68 1 2 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.805 -0.620 25129 69 1 2 . 1 1 21 21 CYS H H 21 8.569 8.569 8.675 -0.106 25129 70 1 2 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.675 0.404 25129 71 1 2 . 1 1 22 22 PHE H H 22 9.600 9.600 8.506 1.094 25129 72 1 2 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.665 -0.269 25129 73 1 2 . 1 1 23 23 ARG H H 23 8.563 8.563 7.876 0.687 25129 74 1 2 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.667 -0.296 25129 75 1 2 . 1 1 24 24 ASP H H 24 9.081 9.081 8.131 0.950 25129 76 1 2 . 1 1 25 25 GLY H H 25 8.638 8.638 8.781 -0.143 25129 77 1 2 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.822 0.198 25129 78 1 2 . 1 1 26 26 LEU H H 26 8.042 8.042 7.347 0.695 25129 79 1 3 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.483 0.100 25129 80 1 3 . 1 1 2 2 CYS H H 2 7.947 7.947 8.171 -0.224 25129 81 1 3 . 1 1 3 3 GLY H H 3 7.215 7.215 7.704 -0.489 25129 82 1 3 . 1 1 4 4 GLY H H 4 7.860 7.860 8.092 -0.233 25129 83 1 3 . 1 1 5 5 SER HA H 5 4.743 4.743 4.828 -0.085 25129 84 1 3 . 1 1 5 5 SER H H 5 7.954 7.954 8.500 -0.546 25129 85 1 3 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.529 -0.175 25129 86 1 3 . 1 1 6 6 CYS H H 6 8.675 8.675 9.058 -0.383 25129 87 1 3 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.424 0.008 25129 88 1 3 . 1 1 7 7 PHE H H 7 8.274 8.274 8.177 0.097 25129 89 1 3 . 1 1 8 8 GLY H H 8 8.181 8.181 7.869 0.312 25129 90 1 3 . 1 1 9 9 GLY H H 9 7.766 7.766 7.358 0.408 25129 91 1 3 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.487 0.467 25129 92 1 3 . 1 1 10 10 CYS H H 10 8.933 8.933 8.504 0.429 25129 93 1 3 . 1 1 14 14 CYS HA H 14 5.208 5.208 5.143 0.065 25129 94 1 3 . 1 1 14 14 CYS H H 14 8.409 8.409 7.951 0.458 25129 95 1 3 . 1 1 15 15 SER HA H 15 4.858 4.858 4.860 -0.002 25129 96 1 3 . 1 1 15 15 SER H H 15 9.120 9.120 8.597 0.523 25129 97 1 3 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.425 -0.387 25129 98 1 3 . 1 1 16 16 CYS H H 16 9.014 9.014 8.491 0.523 25129 99 1 3 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.620 0.019 25129 100 1 3 . 1 1 17 17 TYR H H 17 9.557 9.557 9.105 0.452 25129 101 1 3 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.812 0.008 25129 102 1 3 . 1 1 18 18 ALA H H 18 8.781 8.781 8.793 -0.012 25129 103 1 3 . 1 1 19 19 ARG HA H 19 3.851 3.851 4.028 -0.177 25129 104 1 3 . 1 1 19 19 ARG H H 19 8.533 8.533 8.734 -0.201 25129 105 1 3 . 1 1 20 20 THR HA H 20 4.769 4.769 4.608 0.161 25129 106 1 3 . 1 1 20 20 THR H H 20 8.239 8.239 7.719 0.520 25129 107 1 3 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.835 -0.650 25129 108 1 3 . 1 1 21 21 CYS H H 21 8.569 8.569 8.742 -0.173 25129 109 1 3 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.690 0.389 25129 110 1 3 . 1 1 22 22 PHE H H 22 9.600 9.600 8.426 1.174 25129 111 1 3 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.667 -0.271 25129 112 1 3 . 1 1 23 23 ARG H H 23 8.563 8.563 7.933 0.630 25129 113 1 3 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.700 -0.329 25129 114 1 3 . 1 1 24 24 ASP H H 24 9.081 9.081 8.157 0.924 25129 115 1 3 . 1 1 25 25 GLY H H 25 8.638 8.638 8.811 -0.173 25129 116 1 3 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.801 0.219 25129 117 1 3 . 1 1 26 26 LEU H H 26 8.042 8.042 7.291 0.751 25129 118 1 4 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.408 0.175 25129 119 1 4 . 1 1 2 2 CYS H H 2 7.947 7.947 7.622 0.325 25129 120 1 4 . 1 1 3 3 GLY H H 3 7.215 7.215 7.308 -0.093 25129 121 1 4 . 1 1 4 4 GLY H H 4 7.860 7.860 8.213 -0.353 25129 122 1 4 . 1 1 5 5 SER HA H 5 4.743 4.743 4.908 -0.165 25129 123 1 4 . 1 1 5 5 SER H H 5 7.954 7.954 8.179 -0.225 25129 124 1 4 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.470 -0.116 25129 125 1 4 . 1 1 6 6 CYS H H 6 8.675 8.675 9.180 -0.505 25129 126 1 4 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.484 -0.052 25129 127 1 4 . 1 1 7 7 PHE H H 7 8.274 8.274 8.033 0.241 25129 128 1 4 . 1 1 8 8 GLY H H 8 8.181 8.181 7.486 0.695 25129 129 1 4 . 1 1 9 9 GLY H H 9 7.766 7.766 7.324 0.442 25129 130 1 4 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.562 0.392 25129 131 1 4 . 1 1 10 10 CYS H H 10 8.933 8.933 8.500 0.433 25129 132 1 4 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.780 0.428 25129 133 1 4 . 1 1 14 14 CYS H H 14 8.409 8.409 8.069 0.340 25129 134 1 4 . 1 1 15 15 SER HA H 15 4.858 4.858 4.727 0.131 25129 135 1 4 . 1 1 15 15 SER H H 15 9.120 9.120 8.739 0.381 25129 136 1 4 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.050 -0.012 25129 137 1 4 . 1 1 16 16 CYS H H 16 9.014 9.014 8.567 0.447 25129 138 1 4 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.626 0.013 25129 139 1 4 . 1 1 17 17 TYR H H 17 9.557 9.557 9.200 0.357 25129 140 1 4 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.737 0.083 25129 141 1 4 . 1 1 18 18 ALA H H 18 8.781 8.781 8.763 0.018 25129 142 1 4 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.944 -0.093 25129 143 1 4 . 1 1 19 19 ARG H H 19 8.533 8.533 8.617 -0.084 25129 144 1 4 . 1 1 20 20 THR HA H 20 4.769 4.769 4.587 0.182 25129 145 1 4 . 1 1 20 20 THR H H 20 8.239 8.239 7.588 0.651 25129 146 1 4 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.559 -0.374 25129 147 1 4 . 1 1 21 21 CYS H H 21 8.569 8.569 8.948 -0.379 25129 148 1 4 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.693 0.386 25129 149 1 4 . 1 1 22 22 PHE H H 22 9.600 9.600 8.158 1.442 25129 150 1 4 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.623 -0.227 25129 151 1 4 . 1 1 23 23 ARG H H 23 8.563 8.563 7.938 0.625 25129 152 1 4 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.657 -0.286 25129 153 1 4 . 1 1 24 24 ASP H H 24 9.081 9.081 8.096 0.985 25129 154 1 4 . 1 1 25 25 GLY H H 25 8.638 8.638 8.664 -0.026 25129 155 1 4 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.682 0.338 25129 156 1 4 . 1 1 26 26 LEU H H 26 8.042 8.042 7.263 0.779 25129 157 1 5 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.437 0.146 25129 158 1 5 . 1 1 2 2 CYS H H 2 7.947 7.947 7.641 0.306 25129 159 1 5 . 1 1 3 3 GLY H H 3 7.215 7.215 7.238 -0.023 25129 160 1 5 . 1 1 4 4 GLY H H 4 7.860 7.860 8.188 -0.328 25129 161 1 5 . 1 1 5 5 SER HA H 5 4.743 4.743 4.830 -0.087 25129 162 1 5 . 1 1 5 5 SER H H 5 7.954 7.954 8.358 -0.404 25129 163 1 5 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.391 -0.037 25129 164 1 5 . 1 1 6 6 CYS H H 6 8.675 8.675 9.251 -0.576 25129 165 1 5 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.528 -0.096 25129 166 1 5 . 1 1 7 7 PHE H H 7 8.274 8.274 8.401 -0.127 25129 167 1 5 . 1 1 8 8 GLY H H 8 8.181 8.181 7.440 0.741 25129 168 1 5 . 1 1 9 9 GLY H H 9 7.766 7.766 7.393 0.373 25129 169 1 5 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.435 0.519 25129 170 1 5 . 1 1 10 10 CYS H H 10 8.933 8.933 8.507 0.426 25129 171 1 5 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.861 0.347 25129 172 1 5 . 1 1 14 14 CYS H H 14 8.409 8.409 7.960 0.449 25129 173 1 5 . 1 1 15 15 SER HA H 15 4.858 4.858 4.830 0.028 25129 174 1 5 . 1 1 15 15 SER H H 15 9.120 9.120 8.687 0.433 25129 175 1 5 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.005 0.033 25129 176 1 5 . 1 1 16 16 CYS H H 16 9.014 9.014 8.483 0.531 25129 177 1 5 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.649 -0.010 25129 178 1 5 . 1 1 17 17 TYR H H 17 9.557 9.557 9.320 0.237 25129 179 1 5 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.663 0.157 25129 180 1 5 . 1 1 18 18 ALA H H 18 8.781 8.781 8.379 0.402 25129 181 1 5 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.911 -0.060 25129 182 1 5 . 1 1 19 19 ARG H H 19 8.533 8.533 8.509 0.024 25129 183 1 5 . 1 1 20 20 THR HA H 20 4.769 4.769 4.541 0.228 25129 184 1 5 . 1 1 20 20 THR H H 20 8.239 8.239 7.183 1.056 25129 185 1 5 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.570 -0.385 25129 186 1 5 . 1 1 21 21 CYS H H 21 8.569 8.569 8.861 -0.292 25129 187 1 5 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.669 0.410 25129 188 1 5 . 1 1 22 22 PHE H H 22 9.600 9.600 8.130 1.470 25129 189 1 5 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.628 -0.232 25129 190 1 5 . 1 1 23 23 ARG H H 23 8.563 8.563 7.699 0.864 25129 191 1 5 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.708 -0.337 25129 192 1 5 . 1 1 24 24 ASP H H 24 9.081 9.081 7.930 1.151 25129 193 1 5 . 1 1 25 25 GLY H H 25 8.638 8.638 8.795 -0.157 25129 194 1 5 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.705 0.315 25129 195 1 5 . 1 1 26 26 LEU H H 26 8.042 8.042 7.232 0.810 25129 196 1 6 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.375 0.208 25129 197 1 6 . 1 1 2 2 CYS H H 2 7.947 7.947 7.648 0.299 25129 198 1 6 . 1 1 3 3 GLY H H 3 7.215 7.215 7.241 -0.026 25129 199 1 6 . 1 1 4 4 GLY H H 4 7.860 7.860 8.186 -0.326 25129 200 1 6 . 1 1 5 5 SER HA H 5 4.743 4.743 4.827 -0.084 25129 201 1 6 . 1 1 5 5 SER H H 5 7.954 7.954 8.322 -0.368 25129 202 1 6 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.404 -0.050 25129 203 1 6 . 1 1 6 6 CYS H H 6 8.675 8.675 9.192 -0.517 25129 204 1 6 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.536 -0.104 25129 205 1 6 . 1 1 7 7 PHE H H 7 8.274 8.274 8.394 -0.120 25129 206 1 6 . 1 1 8 8 GLY H H 8 8.181 8.181 7.428 0.753 25129 207 1 6 . 1 1 9 9 GLY H H 9 7.766 7.766 7.391 0.375 25129 208 1 6 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.436 0.518 25129 209 1 6 . 1 1 10 10 CYS H H 10 8.933 8.933 8.508 0.425 25129 210 1 6 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.838 0.370 25129 211 1 6 . 1 1 14 14 CYS H H 14 8.409 8.409 7.981 0.428 25129 212 1 6 . 1 1 15 15 SER HA H 15 4.858 4.858 4.813 0.045 25129 213 1 6 . 1 1 15 15 SER H H 15 9.120 9.120 8.643 0.477 25129 214 1 6 . 1 1 16 16 CYS HA H 16 5.038 5.038 4.996 0.042 25129 215 1 6 . 1 1 16 16 CYS H H 16 9.014 9.014 8.370 0.644 25129 216 1 6 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.654 -0.015 25129 217 1 6 . 1 1 17 17 TYR H H 17 9.557 9.557 9.316 0.241 25129 218 1 6 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.742 0.078 25129 219 1 6 . 1 1 18 18 ALA H H 18 8.781 8.781 8.441 0.340 25129 220 1 6 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.938 -0.087 25129 221 1 6 . 1 1 19 19 ARG H H 19 8.533 8.533 8.619 -0.086 25129 222 1 6 . 1 1 20 20 THR HA H 20 4.769 4.769 4.594 0.175 25129 223 1 6 . 1 1 20 20 THR H H 20 8.239 8.239 7.221 1.018 25129 224 1 6 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.523 -0.338 25129 225 1 6 . 1 1 21 21 CYS H H 21 8.569 8.569 8.862 -0.293 25129 226 1 6 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.672 0.407 25129 227 1 6 . 1 1 22 22 PHE H H 22 9.600 9.600 8.133 1.467 25129 228 1 6 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.629 -0.233 25129 229 1 6 . 1 1 23 23 ARG H H 23 8.563 8.563 7.738 0.825 25129 230 1 6 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.727 -0.356 25129 231 1 6 . 1 1 24 24 ASP H H 24 9.081 9.081 7.844 1.237 25129 232 1 6 . 1 1 25 25 GLY H H 25 8.638 8.638 8.770 -0.132 25129 233 1 6 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.710 0.310 25129 234 1 6 . 1 1 26 26 LEU H H 26 8.042 8.042 7.238 0.804 25129 235 1 7 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.242 0.341 25129 236 1 7 . 1 1 2 2 CYS H H 2 7.947 7.947 8.193 -0.246 25129 237 1 7 . 1 1 3 3 GLY H H 3 7.215 7.215 6.461 0.754 25129 238 1 7 . 1 1 4 4 GLY H H 4 7.860 7.860 8.317 -0.457 25129 239 1 7 . 1 1 5 5 SER HA H 5 4.743 4.743 4.862 -0.119 25129 240 1 7 . 1 1 5 5 SER H H 5 7.954 7.954 8.262 -0.308 25129 241 1 7 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.461 -0.107 25129 242 1 7 . 1 1 6 6 CYS H H 6 8.675 8.675 9.012 -0.337 25129 243 1 7 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.495 -0.063 25129 244 1 7 . 1 1 7 7 PHE H H 7 8.274 8.274 8.062 0.212 25129 245 1 7 . 1 1 8 8 GLY H H 8 8.181 8.181 7.468 0.713 25129 246 1 7 . 1 1 9 9 GLY H H 9 7.766 7.766 7.434 0.332 25129 247 1 7 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.516 0.438 25129 248 1 7 . 1 1 10 10 CYS H H 10 8.933 8.933 8.503 0.430 25129 249 1 7 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.682 0.526 25129 250 1 7 . 1 1 14 14 CYS H H 14 8.409 8.409 7.961 0.448 25129 251 1 7 . 1 1 15 15 SER HA H 15 4.858 4.858 4.741 0.117 25129 252 1 7 . 1 1 15 15 SER H H 15 9.120 9.120 8.480 0.640 25129 253 1 7 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.213 -0.175 25129 254 1 7 . 1 1 16 16 CYS H H 16 9.014 9.014 8.622 0.392 25129 255 1 7 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.664 -0.025 25129 256 1 7 . 1 1 17 17 TYR H H 17 9.557 9.557 8.912 0.645 25129 257 1 7 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.733 0.087 25129 258 1 7 . 1 1 18 18 ALA H H 18 8.781 8.781 8.506 0.275 25129 259 1 7 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.993 -0.142 25129 260 1 7 . 1 1 19 19 ARG H H 19 8.533 8.533 8.562 -0.029 25129 261 1 7 . 1 1 20 20 THR HA H 20 4.769 4.769 4.548 0.221 25129 262 1 7 . 1 1 20 20 THR H H 20 8.239 8.239 7.351 0.888 25129 263 1 7 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.744 -0.559 25129 264 1 7 . 1 1 21 21 CYS H H 21 8.569 8.569 8.808 -0.239 25129 265 1 7 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.830 0.249 25129 266 1 7 . 1 1 22 22 PHE H H 22 9.600 9.600 8.725 0.875 25129 267 1 7 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.405 -0.009 25129 268 1 7 . 1 1 23 23 ARG H H 23 8.563 8.563 7.893 0.670 25129 269 1 7 . 1 1 24 24 ASP HA H 24 4.371 4.371 3.782 0.589 25129 270 1 7 . 1 1 24 24 ASP H H 24 9.081 9.081 5.930 3.151 25129 271 1 7 . 1 1 25 25 GLY H H 25 8.638 8.638 8.631 0.007 25129 272 1 7 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.807 0.213 25129 273 1 7 . 1 1 26 26 LEU H H 26 8.042 8.042 7.384 0.658 25129 274 1 8 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.572 0.011 25129 275 1 8 . 1 1 2 2 CYS H H 2 7.947 7.947 7.599 0.348 25129 276 1 8 . 1 1 3 3 GLY H H 3 7.215 7.215 7.700 -0.485 25129 277 1 8 . 1 1 4 4 GLY H H 4 7.860 7.860 8.091 -0.231 25129 278 1 8 . 1 1 5 5 SER HA H 5 4.743 4.743 4.828 -0.085 25129 279 1 8 . 1 1 5 5 SER H H 5 7.954 7.954 8.538 -0.584 25129 280 1 8 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.532 -0.178 25129 281 1 8 . 1 1 6 6 CYS H H 6 8.675 8.675 9.018 -0.343 25129 282 1 8 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.419 0.013 25129 283 1 8 . 1 1 7 7 PHE H H 7 8.274 8.274 8.174 0.100 25129 284 1 8 . 1 1 8 8 GLY H H 8 8.181 8.181 7.861 0.320 25129 285 1 8 . 1 1 9 9 GLY H H 9 7.766 7.766 7.376 0.390 25129 286 1 8 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.477 0.477 25129 287 1 8 . 1 1 10 10 CYS H H 10 8.933 8.933 8.494 0.439 25129 288 1 8 . 1 1 14 14 CYS HA H 14 5.208 5.208 5.159 0.049 25129 289 1 8 . 1 1 14 14 CYS H H 14 8.409 8.409 7.931 0.478 25129 290 1 8 . 1 1 15 15 SER HA H 15 4.858 4.858 4.882 -0.024 25129 291 1 8 . 1 1 15 15 SER H H 15 9.120 9.120 8.638 0.482 25129 292 1 8 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.438 -0.400 25129 293 1 8 . 1 1 16 16 CYS H H 16 9.014 9.014 8.605 0.409 25129 294 1 8 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.603 0.036 25129 295 1 8 . 1 1 17 17 TYR H H 17 9.557 9.557 9.047 0.510 25129 296 1 8 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.760 0.060 25129 297 1 8 . 1 1 18 18 ALA H H 18 8.781 8.781 8.731 0.050 25129 298 1 8 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.981 -0.130 25129 299 1 8 . 1 1 19 19 ARG H H 19 8.533 8.533 8.666 -0.133 25129 300 1 8 . 1 1 20 20 THR HA H 20 4.769 4.769 4.656 0.113 25129 301 1 8 . 1 1 20 20 THR H H 20 8.239 8.239 7.657 0.582 25129 302 1 8 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.822 -0.637 25129 303 1 8 . 1 1 21 21 CYS H H 21 8.569 8.569 8.740 -0.171 25129 304 1 8 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.678 0.401 25129 305 1 8 . 1 1 22 22 PHE H H 22 9.600 9.600 8.390 1.210 25129 306 1 8 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.647 -0.251 25129 307 1 8 . 1 1 23 23 ARG H H 23 8.563 8.563 7.764 0.799 25129 308 1 8 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.700 -0.329 25129 309 1 8 . 1 1 24 24 ASP H H 24 9.081 9.081 7.861 1.220 25129 310 1 8 . 1 1 25 25 GLY H H 25 8.638 8.638 8.741 -0.103 25129 311 1 8 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.696 0.324 25129 312 1 8 . 1 1 26 26 LEU H H 26 8.042 8.042 7.212 0.830 25129 313 1 9 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.420 0.163 25129 314 1 9 . 1 1 2 2 CYS H H 2 7.947 7.947 8.187 -0.240 25129 315 1 9 . 1 1 3 3 GLY H H 3 7.215 7.215 7.345 -0.130 25129 316 1 9 . 1 1 4 4 GLY H H 4 7.860 7.860 8.258 -0.398 25129 317 1 9 . 1 1 5 5 SER HA H 5 4.743 4.743 4.856 -0.113 25129 318 1 9 . 1 1 5 5 SER H H 5 7.954 7.954 8.359 -0.405 25129 319 1 9 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.410 -0.056 25129 320 1 9 . 1 1 6 6 CYS H H 6 8.675 8.675 9.040 -0.365 25129 321 1 9 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.498 -0.066 25129 322 1 9 . 1 1 7 7 PHE H H 7 8.274 8.274 8.079 0.195 25129 323 1 9 . 1 1 8 8 GLY H H 8 8.181 8.181 7.401 0.780 25129 324 1 9 . 1 1 9 9 GLY H H 9 7.766 7.766 7.380 0.386 25129 325 1 9 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.429 0.525 25129 326 1 9 . 1 1 10 10 CYS H H 10 8.933 8.933 8.500 0.433 25129 327 1 9 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.745 0.463 25129 328 1 9 . 1 1 14 14 CYS H H 14 8.409 8.409 7.999 0.410 25129 329 1 9 . 1 1 15 15 SER HA H 15 4.858 4.858 4.818 0.040 25129 330 1 9 . 1 1 15 15 SER H H 15 9.120 9.120 8.700 0.420 25129 331 1 9 . 1 1 16 16 CYS HA H 16 5.038 5.038 4.977 0.061 25129 332 1 9 . 1 1 16 16 CYS H H 16 9.014 9.014 8.620 0.394 25129 333 1 9 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.626 0.013 25129 334 1 9 . 1 1 17 17 TYR H H 17 9.557 9.557 9.231 0.326 25129 335 1 9 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.822 -0.002 25129 336 1 9 . 1 1 18 18 ALA H H 18 8.781 8.781 8.677 0.104 25129 337 1 9 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.938 -0.087 25129 338 1 9 . 1 1 19 19 ARG H H 19 8.533 8.533 8.612 -0.079 25129 339 1 9 . 1 1 20 20 THR HA H 20 4.769 4.769 4.577 0.192 25129 340 1 9 . 1 1 20 20 THR H H 20 8.239 8.239 7.535 0.704 25129 341 1 9 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.774 -0.589 25129 342 1 9 . 1 1 21 21 CYS H H 21 8.569 8.569 8.982 -0.413 25129 343 1 9 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.714 0.365 25129 344 1 9 . 1 1 22 22 PHE H H 22 9.600 9.600 8.230 1.370 25129 345 1 9 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.635 -0.239 25129 346 1 9 . 1 1 23 23 ARG H H 23 8.563 8.563 8.061 0.502 25129 347 1 9 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.619 -0.248 25129 348 1 9 . 1 1 24 24 ASP H H 24 9.081 9.081 8.081 1.000 25129 349 1 9 . 1 1 25 25 GLY H H 25 8.638 8.638 8.678 -0.040 25129 350 1 9 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.733 0.287 25129 351 1 9 . 1 1 26 26 LEU H H 26 8.042 8.042 7.251 0.791 25129 352 1 10 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.388 0.195 25129 353 1 10 . 1 1 2 2 CYS H H 2 7.947 7.947 8.134 -0.187 25129 354 1 10 . 1 1 3 3 GLY H H 3 7.215 7.215 7.470 -0.255 25129 355 1 10 . 1 1 4 4 GLY H H 4 7.860 7.860 8.216 -0.356 25129 356 1 10 . 1 1 5 5 SER HA H 5 4.743 4.743 4.855 -0.112 25129 357 1 10 . 1 1 5 5 SER H H 5 7.954 7.954 8.373 -0.419 25129 358 1 10 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.490 -0.136 25129 359 1 10 . 1 1 6 6 CYS H H 6 8.675 8.675 9.004 -0.329 25129 360 1 10 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.522 -0.090 25129 361 1 10 . 1 1 7 7 PHE H H 7 8.274 8.274 8.377 -0.103 25129 362 1 10 . 1 1 8 8 GLY H H 8 8.181 8.181 7.476 0.705 25129 363 1 10 . 1 1 9 9 GLY H H 9 7.766 7.766 7.284 0.482 25129 364 1 10 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.390 0.564 25129 365 1 10 . 1 1 10 10 CYS H H 10 8.933 8.933 8.508 0.425 25129 366 1 10 . 1 1 14 14 CYS HA H 14 5.208 5.208 5.175 0.033 25129 367 1 10 . 1 1 14 14 CYS H H 14 8.409 8.409 7.957 0.452 25129 368 1 10 . 1 1 15 15 SER HA H 15 4.858 4.858 4.821 0.037 25129 369 1 10 . 1 1 15 15 SER H H 15 9.120 9.120 8.464 0.656 25129 370 1 10 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.512 -0.474 25129 371 1 10 . 1 1 16 16 CYS H H 16 9.014 9.014 8.572 0.442 25129 372 1 10 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.629 0.010 25129 373 1 10 . 1 1 17 17 TYR H H 17 9.557 9.557 9.066 0.491 25129 374 1 10 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.753 0.067 25129 375 1 10 . 1 1 18 18 ALA H H 18 8.781 8.781 8.734 0.047 25129 376 1 10 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.964 -0.113 25129 377 1 10 . 1 1 19 19 ARG H H 19 8.533 8.533 8.740 -0.207 25129 378 1 10 . 1 1 20 20 THR HA H 20 4.769 4.769 4.602 0.167 25129 379 1 10 . 1 1 20 20 THR H H 20 8.239 8.239 7.616 0.623 25129 380 1 10 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.780 -0.595 25129 381 1 10 . 1 1 21 21 CYS H H 21 8.569 8.569 8.763 -0.194 25129 382 1 10 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.723 0.356 25129 383 1 10 . 1 1 22 22 PHE H H 22 9.600 9.600 9.324 0.276 25129 384 1 10 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.670 -0.274 25129 385 1 10 . 1 1 23 23 ARG H H 23 8.563 8.563 8.007 0.556 25129 386 1 10 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.618 -0.247 25129 387 1 10 . 1 1 24 24 ASP H H 24 9.081 9.081 8.182 0.899 25129 388 1 10 . 1 1 25 25 GLY H H 25 8.638 8.638 8.650 -0.012 25129 389 1 10 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.740 0.280 25129 390 1 10 . 1 1 26 26 LEU H H 26 8.042 8.042 7.282 0.760 25129 391 1 11 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.211 0.372 25129 392 1 11 . 1 1 2 2 CYS H H 2 7.947 7.947 7.956 -0.009 25129 393 1 11 . 1 1 3 3 GLY H H 3 7.215 7.215 6.518 0.697 25129 394 1 11 . 1 1 4 4 GLY H H 4 7.860 7.860 8.305 -0.445 25129 395 1 11 . 1 1 5 5 SER HA H 5 4.743 4.743 4.838 -0.095 25129 396 1 11 . 1 1 5 5 SER H H 5 7.954 7.954 8.199 -0.245 25129 397 1 11 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.395 -0.041 25129 398 1 11 . 1 1 6 6 CYS H H 6 8.675 8.675 9.118 -0.443 25129 399 1 11 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.536 -0.104 25129 400 1 11 . 1 1 7 7 PHE H H 7 8.274 8.274 8.380 -0.106 25129 401 1 11 . 1 1 8 8 GLY H H 8 8.181 8.181 7.447 0.734 25129 402 1 11 . 1 1 9 9 GLY H H 9 7.766 7.766 7.396 0.370 25129 403 1 11 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.464 0.490 25129 404 1 11 . 1 1 10 10 CYS H H 10 8.933 8.933 8.432 0.501 25129 405 1 11 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.734 0.474 25129 406 1 11 . 1 1 14 14 CYS H H 14 8.409 8.409 8.018 0.391 25129 407 1 11 . 1 1 15 15 SER HA H 15 4.858 4.858 4.716 0.142 25129 408 1 11 . 1 1 15 15 SER H H 15 9.120 9.120 8.612 0.508 25129 409 1 11 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.095 -0.057 25129 410 1 11 . 1 1 16 16 CYS H H 16 9.014 9.014 8.508 0.506 25129 411 1 11 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.667 -0.028 25129 412 1 11 . 1 1 17 17 TYR H H 17 9.557 9.557 9.137 0.420 25129 413 1 11 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.669 0.151 25129 414 1 11 . 1 1 18 18 ALA H H 18 8.781 8.781 8.524 0.257 25129 415 1 11 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.938 -0.087 25129 416 1 11 . 1 1 19 19 ARG H H 19 8.533 8.533 8.534 -0.001 25129 417 1 11 . 1 1 20 20 THR HA H 20 4.769 4.769 4.574 0.195 25129 418 1 11 . 1 1 20 20 THR H H 20 8.239 8.239 7.267 0.972 25129 419 1 11 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.581 -0.396 25129 420 1 11 . 1 1 21 21 CYS H H 21 8.569 8.569 8.863 -0.294 25129 421 1 11 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.724 0.355 25129 422 1 11 . 1 1 22 22 PHE H H 22 9.600 9.600 8.301 1.299 25129 423 1 11 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.635 -0.239 25129 424 1 11 . 1 1 23 23 ARG H H 23 8.563 8.563 8.247 0.316 25129 425 1 11 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.719 -0.348 25129 426 1 11 . 1 1 24 24 ASP H H 24 9.081 9.081 7.805 1.276 25129 427 1 11 . 1 1 25 25 GLY H H 25 8.638 8.638 8.675 -0.037 25129 428 1 11 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.638 0.382 25129 429 1 11 . 1 1 26 26 LEU H H 26 8.042 8.042 7.353 0.689 25129 430 1 12 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.283 0.300 25129 431 1 12 . 1 1 2 2 CYS H H 2 7.947 7.947 7.592 0.355 25129 432 1 12 . 1 1 3 3 GLY H H 3 7.215 7.215 7.036 0.179 25129 433 1 12 . 1 1 4 4 GLY H H 4 7.860 7.860 8.378 -0.518 25129 434 1 12 . 1 1 5 5 SER HA H 5 4.743 4.743 4.824 -0.081 25129 435 1 12 . 1 1 5 5 SER H H 5 7.954 7.954 7.957 -0.003 25129 436 1 12 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.224 0.130 25129 437 1 12 . 1 1 6 6 CYS H H 6 8.675 8.675 9.249 -0.574 25129 438 1 12 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.379 0.053 25129 439 1 12 . 1 1 7 7 PHE H H 7 8.274 8.274 7.867 0.407 25129 440 1 12 . 1 1 8 8 GLY H H 8 8.181 8.181 8.395 -0.214 25129 441 1 12 . 1 1 9 9 GLY H H 9 7.766 7.766 7.554 0.212 25129 442 1 12 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.461 0.493 25129 443 1 12 . 1 1 10 10 CYS H H 10 8.933 8.933 8.657 0.276 25129 444 1 12 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.767 0.441 25129 445 1 12 . 1 1 14 14 CYS H H 14 8.409 8.409 8.057 0.352 25129 446 1 12 . 1 1 15 15 SER HA H 15 4.858 4.858 4.773 0.085 25129 447 1 12 . 1 1 15 15 SER H H 15 9.120 9.120 8.902 0.218 25129 448 1 12 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.313 -0.275 25129 449 1 12 . 1 1 16 16 CYS H H 16 9.014 9.014 8.569 0.445 25129 450 1 12 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.630 0.009 25129 451 1 12 . 1 1 17 17 TYR H H 17 9.557 9.557 9.020 0.537 25129 452 1 12 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.766 0.054 25129 453 1 12 . 1 1 18 18 ALA H H 18 8.781 8.781 8.345 0.436 25129 454 1 12 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.939 -0.088 25129 455 1 12 . 1 1 19 19 ARG H H 19 8.533 8.533 8.553 -0.020 25129 456 1 12 . 1 1 20 20 THR HA H 20 4.769 4.769 4.493 0.276 25129 457 1 12 . 1 1 20 20 THR H H 20 8.239 8.239 7.096 1.143 25129 458 1 12 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.702 -0.517 25129 459 1 12 . 1 1 21 21 CYS H H 21 8.569 8.569 8.834 -0.265 25129 460 1 12 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.701 0.378 25129 461 1 12 . 1 1 22 22 PHE H H 22 9.600 9.600 8.315 1.285 25129 462 1 12 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.636 -0.240 25129 463 1 12 . 1 1 23 23 ARG H H 23 8.563 8.563 8.029 0.534 25129 464 1 12 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.641 -0.270 25129 465 1 12 . 1 1 24 24 ASP H H 24 9.081 9.081 8.221 0.860 25129 466 1 12 . 1 1 25 25 GLY H H 25 8.638 8.638 8.666 -0.028 25129 467 1 12 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.758 0.262 25129 468 1 12 . 1 1 26 26 LEU H H 26 8.042 8.042 7.225 0.817 25129 469 1 13 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.497 0.086 25129 470 1 13 . 1 1 2 2 CYS H H 2 7.947 7.947 7.493 0.454 25129 471 1 13 . 1 1 3 3 GLY H H 3 7.215 7.215 7.518 -0.303 25129 472 1 13 . 1 1 4 4 GLY H H 4 7.860 7.860 8.208 -0.348 25129 473 1 13 . 1 1 5 5 SER HA H 5 4.743 4.743 4.839 -0.096 25129 474 1 13 . 1 1 5 5 SER H H 5 7.954 7.954 8.311 -0.357 25129 475 1 13 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.478 -0.124 25129 476 1 13 . 1 1 6 6 CYS H H 6 8.675 8.675 8.989 -0.314 25129 477 1 13 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.502 -0.070 25129 478 1 13 . 1 1 7 7 PHE H H 7 8.274 8.274 8.427 -0.153 25129 479 1 13 . 1 1 8 8 GLY H H 8 8.181 8.181 7.478 0.703 25129 480 1 13 . 1 1 9 9 GLY H H 9 7.766 7.766 7.324 0.442 25129 481 1 13 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.424 0.530 25129 482 1 13 . 1 1 10 10 CYS H H 10 8.933 8.933 8.476 0.457 25129 483 1 13 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.812 0.396 25129 484 1 13 . 1 1 14 14 CYS H H 14 8.409 8.409 8.045 0.364 25129 485 1 13 . 1 1 15 15 SER HA H 15 4.858 4.858 4.740 0.118 25129 486 1 13 . 1 1 15 15 SER H H 15 9.120 9.120 8.859 0.261 25129 487 1 13 . 1 1 16 16 CYS HA H 16 5.038 5.038 4.973 0.065 25129 488 1 13 . 1 1 16 16 CYS H H 16 9.014 9.014 8.515 0.499 25129 489 1 13 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.674 -0.035 25129 490 1 13 . 1 1 17 17 TYR H H 17 9.557 9.557 9.342 0.215 25129 491 1 13 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.769 0.051 25129 492 1 13 . 1 1 18 18 ALA H H 18 8.781 8.781 8.605 0.176 25129 493 1 13 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.883 -0.032 25129 494 1 13 . 1 1 19 19 ARG H H 19 8.533 8.533 8.602 -0.069 25129 495 1 13 . 1 1 20 20 THR HA H 20 4.769 4.769 4.538 0.231 25129 496 1 13 . 1 1 20 20 THR H H 20 8.239 8.239 7.355 0.884 25129 497 1 13 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.653 -0.468 25129 498 1 13 . 1 1 21 21 CYS H H 21 8.569 8.569 8.884 -0.315 25129 499 1 13 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.710 0.369 25129 500 1 13 . 1 1 22 22 PHE H H 22 9.600 9.600 8.121 1.479 25129 501 1 13 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.656 -0.260 25129 502 1 13 . 1 1 23 23 ARG H H 23 8.563 8.563 7.915 0.648 25129 503 1 13 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.689 -0.318 25129 504 1 13 . 1 1 24 24 ASP H H 24 9.081 9.081 8.157 0.924 25129 505 1 13 . 1 1 25 25 GLY H H 25 8.638 8.638 8.737 -0.099 25129 506 1 13 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.691 0.329 25129 507 1 13 . 1 1 26 26 LEU H H 26 8.042 8.042 7.272 0.770 25129 508 1 14 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.428 0.155 25129 509 1 14 . 1 1 2 2 CYS H H 2 7.947 7.947 8.633 -0.686 25129 510 1 14 . 1 1 3 3 GLY H H 3 7.215 7.215 7.389 -0.174 25129 511 1 14 . 1 1 4 4 GLY H H 4 7.860 7.860 8.262 -0.402 25129 512 1 14 . 1 1 5 5 SER HA H 5 4.743 4.743 4.829 -0.086 25129 513 1 14 . 1 1 5 5 SER H H 5 7.954 7.954 8.431 -0.477 25129 514 1 14 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.511 -0.157 25129 515 1 14 . 1 1 6 6 CYS H H 6 8.675 8.675 8.985 -0.310 25129 516 1 14 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.546 -0.114 25129 517 1 14 . 1 1 7 7 PHE H H 7 8.274 8.274 8.329 -0.055 25129 518 1 14 . 1 1 8 8 GLY H H 8 8.181 8.181 7.420 0.761 25129 519 1 14 . 1 1 9 9 GLY H H 9 7.766 7.766 7.400 0.366 25129 520 1 14 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.410 0.544 25129 521 1 14 . 1 1 10 10 CYS H H 10 8.933 8.933 8.513 0.420 25129 522 1 14 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.957 0.251 25129 523 1 14 . 1 1 14 14 CYS H H 14 8.409 8.409 8.013 0.396 25129 524 1 14 . 1 1 15 15 SER HA H 15 4.858 4.858 4.682 0.176 25129 525 1 14 . 1 1 15 15 SER H H 15 9.120 9.120 8.335 0.785 25129 526 1 14 . 1 1 16 16 CYS HA H 16 5.038 5.038 4.960 0.078 25129 527 1 14 . 1 1 16 16 CYS H H 16 9.014 9.014 8.452 0.562 25129 528 1 14 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.683 -0.044 25129 529 1 14 . 1 1 17 17 TYR H H 17 9.557 9.557 9.177 0.380 25129 530 1 14 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.702 0.118 25129 531 1 14 . 1 1 18 18 ALA H H 18 8.781 8.781 8.602 0.179 25129 532 1 14 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.942 -0.091 25129 533 1 14 . 1 1 19 19 ARG H H 19 8.533 8.533 8.595 -0.062 25129 534 1 14 . 1 1 20 20 THR HA H 20 4.769 4.769 4.508 0.261 25129 535 1 14 . 1 1 20 20 THR H H 20 8.239 8.239 7.376 0.863 25129 536 1 14 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.745 -0.560 25129 537 1 14 . 1 1 21 21 CYS H H 21 8.569 8.569 8.994 -0.425 25129 538 1 14 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.767 0.312 25129 539 1 14 . 1 1 22 22 PHE H H 22 9.600 9.600 8.245 1.355 25129 540 1 14 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.840 -0.444 25129 541 1 14 . 1 1 23 23 ARG H H 23 8.563 8.563 7.693 0.870 25129 542 1 14 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.400 -0.029 25129 543 1 14 . 1 1 24 24 ASP H H 24 9.081 9.081 8.866 0.215 25129 544 1 14 . 1 1 25 25 GLY H H 25 8.638 8.638 8.629 0.009 25129 545 1 14 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.724 0.296 25129 546 1 14 . 1 1 26 26 LEU H H 26 8.042 8.042 7.624 0.418 25129 547 1 15 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.278 0.305 25129 548 1 15 . 1 1 2 2 CYS H H 2 7.947 7.947 7.563 0.384 25129 549 1 15 . 1 1 3 3 GLY H H 3 7.215 7.215 6.924 0.291 25129 550 1 15 . 1 1 4 4 GLY H H 4 7.860 7.860 8.394 -0.534 25129 551 1 15 . 1 1 5 5 SER HA H 5 4.743 4.743 4.793 -0.050 25129 552 1 15 . 1 1 5 5 SER H H 5 7.954 7.954 8.030 -0.076 25129 553 1 15 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.230 0.124 25129 554 1 15 . 1 1 6 6 CYS H H 6 8.675 8.675 9.261 -0.586 25129 555 1 15 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.380 0.052 25129 556 1 15 . 1 1 7 7 PHE H H 7 8.274 8.274 7.865 0.409 25129 557 1 15 . 1 1 8 8 GLY H H 8 8.181 8.181 8.408 -0.227 25129 558 1 15 . 1 1 9 9 GLY H H 9 7.766 7.766 7.555 0.211 25129 559 1 15 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.454 0.500 25129 560 1 15 . 1 1 10 10 CYS H H 10 8.933 8.933 8.656 0.277 25129 561 1 15 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.769 0.439 25129 562 1 15 . 1 1 14 14 CYS H H 14 8.409 8.409 8.099 0.310 25129 563 1 15 . 1 1 15 15 SER HA H 15 4.858 4.858 4.728 0.130 25129 564 1 15 . 1 1 15 15 SER H H 15 9.120 9.120 8.799 0.321 25129 565 1 15 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.284 -0.246 25129 566 1 15 . 1 1 16 16 CYS H H 16 9.014 9.014 8.451 0.563 25129 567 1 15 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.602 0.037 25129 568 1 15 . 1 1 17 17 TYR H H 17 9.557 9.557 8.966 0.591 25129 569 1 15 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.737 0.083 25129 570 1 15 . 1 1 18 18 ALA H H 18 8.781 8.781 8.330 0.451 25129 571 1 15 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.939 -0.088 25129 572 1 15 . 1 1 19 19 ARG H H 19 8.533 8.533 8.509 0.024 25129 573 1 15 . 1 1 20 20 THR HA H 20 4.769 4.769 4.536 0.233 25129 574 1 15 . 1 1 20 20 THR H H 20 8.239 8.239 7.081 1.158 25129 575 1 15 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.695 -0.510 25129 576 1 15 . 1 1 21 21 CYS H H 21 8.569 8.569 8.830 -0.261 25129 577 1 15 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.702 0.377 25129 578 1 15 . 1 1 22 22 PHE H H 22 9.600 9.600 8.206 1.394 25129 579 1 15 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.685 -0.289 25129 580 1 15 . 1 1 23 23 ARG H H 23 8.563 8.563 7.873 0.690 25129 581 1 15 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.653 -0.282 25129 582 1 15 . 1 1 24 24 ASP H H 24 9.081 9.081 8.173 0.908 25129 583 1 15 . 1 1 25 25 GLY H H 25 8.638 8.638 8.732 -0.094 25129 584 1 15 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.673 0.347 25129 585 1 15 . 1 1 26 26 LEU H H 26 8.042 8.042 7.269 0.773 25129 586 1 16 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.650 -0.067 25129 587 1 16 . 1 1 2 2 CYS H H 2 7.947 7.947 8.471 -0.524 25129 588 1 16 . 1 1 3 3 GLY H H 3 7.215 7.215 8.081 -0.866 25129 589 1 16 . 1 1 4 4 GLY H H 4 7.860 7.860 8.173 -0.313 25129 590 1 16 . 1 1 5 5 SER HA H 5 4.743 4.743 4.827 -0.084 25129 591 1 16 . 1 1 5 5 SER H H 5 7.954 7.954 8.564 -0.610 25129 592 1 16 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.526 -0.172 25129 593 1 16 . 1 1 6 6 CYS H H 6 8.675 8.675 9.035 -0.360 25129 594 1 16 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.457 -0.025 25129 595 1 16 . 1 1 7 7 PHE H H 7 8.274 8.274 8.486 -0.212 25129 596 1 16 . 1 1 8 8 GLY H H 8 8.181 8.181 7.524 0.657 25129 597 1 16 . 1 1 9 9 GLY H H 9 7.766 7.766 7.402 0.364 25129 598 1 16 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.401 0.553 25129 599 1 16 . 1 1 10 10 CYS H H 10 8.933 8.933 8.520 0.413 25129 600 1 16 . 1 1 14 14 CYS HA H 14 5.208 5.208 5.286 -0.078 25129 601 1 16 . 1 1 14 14 CYS H H 14 8.409 8.409 7.948 0.461 25129 602 1 16 . 1 1 15 15 SER HA H 15 4.858 4.858 4.839 0.019 25129 603 1 16 . 1 1 15 15 SER H H 15 9.120 9.120 8.704 0.416 25129 604 1 16 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.389 -0.351 25129 605 1 16 . 1 1 16 16 CYS H H 16 9.014 9.014 8.653 0.361 25129 606 1 16 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.646 -0.007 25129 607 1 16 . 1 1 17 17 TYR H H 17 9.557 9.557 9.036 0.521 25129 608 1 16 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.821 -0.001 25129 609 1 16 . 1 1 18 18 ALA H H 18 8.781 8.781 8.876 -0.095 25129 610 1 16 . 1 1 19 19 ARG HA H 19 3.851 3.851 4.028 -0.177 25129 611 1 16 . 1 1 19 19 ARG H H 19 8.533 8.533 8.735 -0.202 25129 612 1 16 . 1 1 20 20 THR HA H 20 4.769 4.769 4.572 0.197 25129 613 1 16 . 1 1 20 20 THR H H 20 8.239 8.239 7.690 0.549 25129 614 1 16 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.759 -0.574 25129 615 1 16 . 1 1 21 21 CYS H H 21 8.569 8.569 8.656 -0.087 25129 616 1 16 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.816 0.263 25129 617 1 16 . 1 1 22 22 PHE H H 22 9.600 9.600 8.507 1.093 25129 618 1 16 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.974 -0.578 25129 619 1 16 . 1 1 23 23 ARG H H 23 8.563 8.563 8.398 0.165 25129 620 1 16 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.702 -0.331 25129 621 1 16 . 1 1 24 24 ASP H H 24 9.081 9.081 8.591 0.490 25129 622 1 16 . 1 1 25 25 GLY H H 25 8.638 8.638 8.625 0.013 25129 623 1 16 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.724 0.296 25129 624 1 16 . 1 1 26 26 LEU H H 26 8.042 8.042 7.555 0.487 25129 625 1 17 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.562 0.021 25129 626 1 17 . 1 1 2 2 CYS H H 2 7.947 7.947 8.487 -0.540 25129 627 1 17 . 1 1 3 3 GLY H H 3 7.215 7.215 7.606 -0.391 25129 628 1 17 . 1 1 4 4 GLY H H 4 7.860 7.860 8.238 -0.378 25129 629 1 17 . 1 1 5 5 SER HA H 5 4.743 4.743 4.834 -0.091 25129 630 1 17 . 1 1 5 5 SER H H 5 7.954 7.954 8.402 -0.448 25129 631 1 17 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.527 -0.173 25129 632 1 17 . 1 1 6 6 CYS H H 6 8.675 8.675 8.919 -0.244 25129 633 1 17 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.490 -0.058 25129 634 1 17 . 1 1 7 7 PHE H H 7 8.274 8.274 8.337 -0.063 25129 635 1 17 . 1 1 8 8 GLY H H 8 8.181 8.181 7.782 0.399 25129 636 1 17 . 1 1 9 9 GLY H H 9 7.766 7.766 7.348 0.418 25129 637 1 17 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.461 0.493 25129 638 1 17 . 1 1 10 10 CYS H H 10 8.933 8.933 8.506 0.427 25129 639 1 17 . 1 1 14 14 CYS HA H 14 5.208 5.208 5.157 0.051 25129 640 1 17 . 1 1 14 14 CYS H H 14 8.409 8.409 7.998 0.411 25129 641 1 17 . 1 1 15 15 SER HA H 15 4.858 4.858 4.872 -0.014 25129 642 1 17 . 1 1 15 15 SER H H 15 9.120 9.120 8.650 0.470 25129 643 1 17 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.373 -0.335 25129 644 1 17 . 1 1 16 16 CYS H H 16 9.014 9.014 8.579 0.435 25129 645 1 17 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.629 0.010 25129 646 1 17 . 1 1 17 17 TYR H H 17 9.557 9.557 9.026 0.531 25129 647 1 17 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.736 0.084 25129 648 1 17 . 1 1 18 18 ALA H H 18 8.781 8.781 8.749 0.032 25129 649 1 17 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.935 -0.084 25129 650 1 17 . 1 1 19 19 ARG H H 19 8.533 8.533 8.643 -0.110 25129 651 1 17 . 1 1 20 20 THR HA H 20 4.769 4.769 4.589 0.180 25129 652 1 17 . 1 1 20 20 THR H H 20 8.239 8.239 7.687 0.552 25129 653 1 17 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.754 -0.569 25129 654 1 17 . 1 1 21 21 CYS H H 21 8.569 8.569 8.668 -0.099 25129 655 1 17 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.803 0.276 25129 656 1 17 . 1 1 22 22 PHE H H 22 9.600 9.600 8.516 1.084 25129 657 1 17 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.999 -0.603 25129 658 1 17 . 1 1 23 23 ARG H H 23 8.563 8.563 8.378 0.185 25129 659 1 17 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.712 -0.341 25129 660 1 17 . 1 1 24 24 ASP H H 24 9.081 9.081 8.600 0.481 25129 661 1 17 . 1 1 25 25 GLY H H 25 8.638 8.638 8.584 0.054 25129 662 1 17 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.703 0.317 25129 663 1 17 . 1 1 26 26 LEU H H 26 8.042 8.042 7.565 0.477 25129 664 1 18 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.438 0.145 25129 665 1 18 . 1 1 2 2 CYS H H 2 7.947 7.947 8.168 -0.221 25129 666 1 18 . 1 1 3 3 GLY H H 3 7.215 7.215 7.083 0.132 25129 667 1 18 . 1 1 4 4 GLY H H 4 7.860 7.860 8.229 -0.369 25129 668 1 18 . 1 1 5 5 SER HA H 5 4.743 4.743 4.854 -0.111 25129 669 1 18 . 1 1 5 5 SER H H 5 7.954 7.954 8.355 -0.401 25129 670 1 18 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.427 -0.073 25129 671 1 18 . 1 1 6 6 CYS H H 6 8.675 8.675 8.985 -0.310 25129 672 1 18 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.484 -0.052 25129 673 1 18 . 1 1 7 7 PHE H H 7 8.274 8.274 8.073 0.201 25129 674 1 18 . 1 1 8 8 GLY H H 8 8.181 8.181 7.457 0.724 25129 675 1 18 . 1 1 9 9 GLY H H 9 7.766 7.766 7.286 0.480 25129 676 1 18 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.416 0.538 25129 677 1 18 . 1 1 10 10 CYS H H 10 8.933 8.933 8.498 0.435 25129 678 1 18 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.783 0.425 25129 679 1 18 . 1 1 14 14 CYS H H 14 8.409 8.409 8.034 0.375 25129 680 1 18 . 1 1 15 15 SER HA H 15 4.858 4.858 4.765 0.093 25129 681 1 18 . 1 1 15 15 SER H H 15 9.120 9.120 8.694 0.426 25129 682 1 18 . 1 1 16 16 CYS HA H 16 5.038 5.038 4.914 0.124 25129 683 1 18 . 1 1 16 16 CYS H H 16 9.014 9.014 8.373 0.641 25129 684 1 18 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.669 -0.030 25129 685 1 18 . 1 1 17 17 TYR H H 17 9.557 9.557 9.265 0.292 25129 686 1 18 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.662 0.158 25129 687 1 18 . 1 1 18 18 ALA H H 18 8.781 8.781 8.498 0.283 25129 688 1 18 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.913 -0.062 25129 689 1 18 . 1 1 19 19 ARG H H 19 8.533 8.533 8.608 -0.075 25129 690 1 18 . 1 1 20 20 THR HA H 20 4.769 4.769 4.545 0.224 25129 691 1 18 . 1 1 20 20 THR H H 20 8.239 8.239 7.372 0.868 25129 692 1 18 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.589 -0.404 25129 693 1 18 . 1 1 21 21 CYS H H 21 8.569 8.569 8.826 -0.257 25129 694 1 18 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.860 0.219 25129 695 1 18 . 1 1 22 22 PHE H H 22 9.600 9.600 8.345 1.255 25129 696 1 18 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.878 -0.482 25129 697 1 18 . 1 1 23 23 ARG H H 23 8.563 8.563 7.680 0.883 25129 698 1 18 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.464 -0.093 25129 699 1 18 . 1 1 24 24 ASP H H 24 9.081 9.081 8.720 0.361 25129 700 1 18 . 1 1 25 25 GLY H H 25 8.638 8.638 8.727 -0.089 25129 701 1 18 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.695 0.325 25129 702 1 18 . 1 1 26 26 LEU H H 26 8.042 8.042 7.484 0.558 25129 703 1 19 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.565 0.018 25129 704 1 19 . 1 1 2 2 CYS H H 2 7.947 7.947 8.446 -0.499 25129 705 1 19 . 1 1 3 3 GLY H H 3 7.215 7.215 7.765 -0.550 25129 706 1 19 . 1 1 4 4 GLY H H 4 7.860 7.860 8.192 -0.332 25129 707 1 19 . 1 1 5 5 SER HA H 5 4.743 4.743 4.837 -0.094 25129 708 1 19 . 1 1 5 5 SER H H 5 7.954 7.954 8.392 -0.438 25129 709 1 19 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.520 -0.166 25129 710 1 19 . 1 1 6 6 CYS H H 6 8.675 8.675 8.943 -0.268 25129 711 1 19 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.495 -0.063 25129 712 1 19 . 1 1 7 7 PHE H H 7 8.274 8.274 8.359 -0.085 25129 713 1 19 . 1 1 8 8 GLY H H 8 8.181 8.181 7.709 0.472 25129 714 1 19 . 1 1 9 9 GLY H H 9 7.766 7.766 7.399 0.367 25129 715 1 19 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.471 0.483 25129 716 1 19 . 1 1 10 10 CYS H H 10 8.933 8.933 8.497 0.436 25129 717 1 19 . 1 1 14 14 CYS HA H 14 5.208 5.208 5.014 0.194 25129 718 1 19 . 1 1 14 14 CYS H H 14 8.409 8.409 7.949 0.460 25129 719 1 19 . 1 1 15 15 SER HA H 15 4.858 4.858 4.813 0.045 25129 720 1 19 . 1 1 15 15 SER H H 15 9.120 9.120 8.531 0.589 25129 721 1 19 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.084 -0.046 25129 722 1 19 . 1 1 16 16 CYS H H 16 9.014 9.014 8.451 0.563 25129 723 1 19 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.671 -0.032 25129 724 1 19 . 1 1 17 17 TYR H H 17 9.557 9.557 9.374 0.183 25129 725 1 19 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.690 0.130 25129 726 1 19 . 1 1 18 18 ALA H H 18 8.781 8.781 8.531 0.250 25129 727 1 19 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.990 -0.139 25129 728 1 19 . 1 1 19 19 ARG H H 19 8.533 8.533 8.635 -0.102 25129 729 1 19 . 1 1 20 20 THR HA H 20 4.769 4.769 4.583 0.186 25129 730 1 19 . 1 1 20 20 THR H H 20 8.239 8.239 7.242 0.997 25129 731 1 19 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.496 -0.311 25129 732 1 19 . 1 1 21 21 CYS H H 21 8.569 8.569 8.755 -0.186 25129 733 1 19 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.779 0.300 25129 734 1 19 . 1 1 22 22 PHE H H 22 9.600 9.600 8.293 1.307 25129 735 1 19 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.981 -0.585 25129 736 1 19 . 1 1 23 23 ARG H H 23 8.563 8.563 8.388 0.175 25129 737 1 19 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.729 -0.358 25129 738 1 19 . 1 1 24 24 ASP H H 24 9.081 9.081 8.594 0.487 25129 739 1 19 . 1 1 25 25 GLY H H 25 8.638 8.638 8.587 0.051 25129 740 1 19 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.652 0.368 25129 741 1 19 . 1 1 26 26 LEU H H 26 8.042 8.042 7.559 0.483 25129 742 1 20 . 1 1 2 2 CYS HA H 2 4.583 4.583 4.564 0.019 25129 743 1 20 . 1 1 2 2 CYS H H 2 7.947 7.947 8.386 -0.439 25129 744 1 20 . 1 1 3 3 GLY H H 3 7.215 7.215 7.743 -0.528 25129 745 1 20 . 1 1 4 4 GLY H H 4 7.860 7.860 8.177 -0.317 25129 746 1 20 . 1 1 5 5 SER HA H 5 4.743 4.743 4.840 -0.097 25129 747 1 20 . 1 1 5 5 SER H H 5 7.954 7.954 8.340 -0.386 25129 748 1 20 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.480 -0.126 25129 749 1 20 . 1 1 6 6 CYS H H 6 8.675 8.675 9.001 -0.326 25129 750 1 20 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.494 -0.062 25129 751 1 20 . 1 1 7 7 PHE H H 7 8.274 8.274 8.411 -0.137 25129 752 1 20 . 1 1 8 8 GLY H H 8 8.181 8.181 7.514 0.667 25129 753 1 20 . 1 1 9 9 GLY H H 9 7.766 7.766 7.315 0.451 25129 754 1 20 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.385 0.569 25129 755 1 20 . 1 1 10 10 CYS H H 10 8.933 8.933 8.497 0.436 25129 756 1 20 . 1 1 14 14 CYS HA H 14 5.208 5.208 5.012 0.196 25129 757 1 20 . 1 1 14 14 CYS H H 14 8.409 8.409 7.990 0.419 25129 758 1 20 . 1 1 15 15 SER HA H 15 4.858 4.858 4.786 0.072 25129 759 1 20 . 1 1 15 15 SER H H 15 9.120 9.120 8.565 0.555 25129 760 1 20 . 1 1 16 16 CYS HA H 16 5.038 5.038 4.948 0.090 25129 761 1 20 . 1 1 16 16 CYS H H 16 9.014 9.014 8.452 0.562 25129 762 1 20 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.660 -0.021 25129 763 1 20 . 1 1 17 17 TYR H H 17 9.557 9.557 9.239 0.318 25129 764 1 20 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.728 0.092 25129 765 1 20 . 1 1 18 18 ALA H H 18 8.781 8.781 8.378 0.403 25129 766 1 20 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.946 -0.095 25129 767 1 20 . 1 1 19 19 ARG H H 19 8.533 8.533 8.544 -0.011 25129 768 1 20 . 1 1 20 20 THR HA H 20 4.769 4.769 4.519 0.250 25129 769 1 20 . 1 1 20 20 THR H H 20 8.239 8.239 7.186 1.053 25129 770 1 20 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.608 -0.423 25129 771 1 20 . 1 1 21 21 CYS H H 21 8.569 8.569 8.764 -0.195 25129 772 1 20 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.780 0.299 25129 773 1 20 . 1 1 22 22 PHE H H 22 9.600 9.600 8.407 1.193 25129 774 1 20 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.907 -0.511 25129 775 1 20 . 1 1 23 23 ARG H H 23 8.563 8.563 7.988 0.575 25129 776 1 20 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.693 -0.322 25129 777 1 20 . 1 1 24 24 ASP H H 24 9.081 9.081 8.474 0.607 25129 778 1 20 . 1 1 25 25 GLY H H 25 8.638 8.638 9.006 -0.368 25129 779 1 20 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.674 0.346 25129 780 1 20 . 1 1 26 26 LEU H H 26 8.042 8.042 7.438 0.604 25129 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 25129 2 1 1 "Average Difference" HA 27 0.354 -0.044 0.358 25129 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25129 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25129 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25129 6 1 1 "Average Difference" HN 22 0.536 -0.243 0.489 25129 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25129 8 1 2 "Average Difference" HA 27 0.363 0.016 0.370 25129 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25129 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25129 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25129 12 1 2 "Average Difference" HN 22 0.498 -0.244 0.444 25129 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25129 14 1 3 "Average Difference" HA 27 0.390 0.026 0.396 25129 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25129 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25129 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25129 18 1 3 "Average Difference" HN 22 0.512 -0.217 0.475 25129 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25129 20 1 4 "Average Difference" HA 27 0.339 -0.051 0.341 25129 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25129 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25129 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25129 24 1 4 "Average Difference" HN 22 0.551 -0.295 0.476 25129 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25129 26 1 5 "Average Difference" HA 27 0.354 -0.028 0.360 25129 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25129 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25129 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25129 30 1 5 "Average Difference" HN 22 0.625 -0.335 0.540 25129 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25129 32 1 6 "Average Difference" HA 27 0.349 -0.027 0.354 25129 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25129 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25129 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25129 36 1 6 "Average Difference" HN 22 0.627 -0.339 0.540 25129 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25129 38 1 7 "Average Difference" HA 27 0.365 -0.086 0.361 25129 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25129 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25129 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25129 42 1 7 "Average Difference" HN 22 0.841 -0.431 0.740 25129 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25129 44 1 8 "Average Difference" HA 27 0.373 0.010 0.380 25129 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25129 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25129 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25129 48 1 8 "Average Difference" HN 22 0.560 -0.278 0.497 25129 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25129 50 1 9 "Average Difference" HA 27 0.370 -0.020 0.376 25129 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25129 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25129 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25129 54 1 9 "Average Difference" HN 22 0.546 -0.261 0.491 25129 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25129 56 1 10 "Average Difference" HA 27 0.389 0.011 0.396 25129 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25129 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25129 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25129 60 1 10 "Average Difference" HN 22 0.464 -0.216 0.421 25129 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25129 62 1 11 "Average Difference" HA 27 0.356 -0.059 0.357 25129 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25129 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25129 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25129 66 1 11 "Average Difference" HN 22 0.592 -0.334 0.500 25129 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25129 68 1 12 "Average Difference" HA 27 0.353 -0.084 0.350 25129 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25129 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25129 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25129 72 1 12 "Average Difference" HN 22 0.550 -0.292 0.477 25129 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25129 74 1 13 "Average Difference" HA 27 0.348 -0.043 0.352 25129 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25129 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25129 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25129 78 1 13 "Average Difference" HN 22 0.566 -0.287 0.499 25129 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25129 80 1 14 "Average Difference" HA 27 0.350 -0.042 0.354 25129 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25129 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25129 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25129 84 1 14 "Average Difference" HN 22 0.559 -0.227 0.524 25129 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25129 86 1 15 "Average Difference" HA 27 0.356 -0.091 0.351 25129 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25129 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25129 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25129 90 1 15 "Average Difference" HN 22 0.585 -0.317 0.503 25129 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25129 92 1 16 "Average Difference" HA 27 0.408 0.041 0.413 25129 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25129 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25129 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25129 96 1 16 "Average Difference" HN 22 0.489 -0.124 0.484 25129 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25129 98 1 17 "Average Difference" HA 27 0.369 0.009 0.376 25129 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25129 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25129 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25129 102 1 17 "Average Difference" HN 22 0.438 -0.167 0.415 25129 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25129 104 1 18 "Average Difference" HA 27 0.346 -0.045 0.350 25129 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25129 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25129 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25129 108 1 18 "Average Difference" HN 22 0.521 -0.281 0.449 25129 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25129 110 1 19 "Average Difference" HA 27 0.343 -0.015 0.349 25129 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25129 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25129 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25129 114 1 19 "Average Difference" HN 22 0.509 -0.198 0.480 25129 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25129 116 1 20 "Average Difference" HA 27 0.349 -0.037 0.354 25129 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25129 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25129 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25129 120 1 20 "Average Difference" HN 22 0.544 -0.233 0.503 25129 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 25129 _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 CYS HA H 2 4.583 4.583 4.437 0.146 25129 2 1 . 1 1 2 2 CYS H H 2 7.947 7.947 8.046 -0.099 25129 3 1 . 1 1 3 3 GLY H H 3 7.215 7.215 7.340 -0.125 25129 4 1 . 1 1 4 4 GLY H H 4 7.860 7.860 8.224 -0.364 25129 5 1 . 1 1 5 5 SER HA H 5 4.743 4.743 4.839 -0.096 25129 6 1 . 1 1 5 5 SER H H 5 7.954 7.954 8.335 -0.381 25129 7 1 . 1 1 6 6 CYS HA H 6 4.354 4.354 4.451 -0.097 25129 8 1 . 1 1 6 6 CYS H H 6 8.675 8.675 9.061 -0.385 25129 9 1 . 1 1 7 7 PHE HA H 7 4.432 4.432 4.484 -0.052 25129 10 1 . 1 1 7 7 PHE H H 7 8.274 8.274 8.252 0.022 25129 11 1 . 1 1 8 8 GLY H H 8 8.181 8.181 7.631 0.550 25129 12 1 . 1 1 9 9 GLY H H 9 7.766 7.766 7.380 0.386 25129 13 1 . 1 1 10 10 CYS HA H 10 4.954 4.954 4.448 0.506 25129 14 1 . 1 1 10 10 CYS H H 10 8.933 8.933 8.515 0.417 25129 15 1 . 1 1 14 14 CYS HA H 14 5.208 5.208 4.946 0.262 25129 16 1 . 1 1 14 14 CYS H H 14 8.409 8.409 7.988 0.421 25129 17 1 . 1 1 15 15 SER HA H 15 4.858 4.858 4.790 0.068 25129 18 1 . 1 1 15 15 SER H H 15 9.120 9.120 8.632 0.488 25129 19 1 . 1 1 16 16 CYS HA H 16 5.038 5.038 5.167 -0.129 25129 20 1 . 1 1 16 16 CYS H H 16 9.014 9.014 8.524 0.490 25129 21 1 . 1 1 17 17 TYR HA H 17 4.639 4.639 4.644 -0.005 25129 22 1 . 1 1 17 17 TYR H H 17 9.557 9.557 9.146 0.411 25129 23 1 . 1 1 18 18 ALA HA H 18 3.820 3.820 3.739 0.081 25129 24 1 . 1 1 18 18 ALA H H 18 8.781 8.781 8.586 0.195 25129 25 1 . 1 1 19 19 ARG HA H 19 3.851 3.851 3.954 -0.103 25129 26 1 . 1 1 19 19 ARG H H 19 8.533 8.533 8.615 -0.082 25129 27 1 . 1 1 20 20 THR HA H 20 4.769 4.769 4.568 0.201 25129 28 1 . 1 1 20 20 THR H H 20 8.239 8.239 7.421 0.818 25129 29 1 . 1 1 21 21 CYS HA H 21 5.185 5.185 5.684 -0.499 25129 30 1 . 1 1 21 21 CYS H H 21 8.569 8.569 8.821 -0.252 25129 31 1 . 1 1 22 22 PHE HA H 22 5.079 5.079 4.738 0.341 25129 32 1 . 1 1 22 22 PHE H H 22 9.600 9.600 8.375 1.226 25129 33 1 . 1 1 23 23 ARG HA H 23 4.396 4.396 4.722 -0.326 25129 34 1 . 1 1 23 23 ARG H H 23 8.563 8.563 7.968 0.595 25129 35 1 . 1 1 24 24 ASP HA H 24 4.371 4.371 4.597 -0.226 25129 36 1 . 1 1 24 24 ASP H H 24 9.081 9.081 8.152 0.929 25129 37 1 . 1 1 25 25 GLY H H 25 8.638 8.638 8.701 -0.063 25129 38 1 . 1 1 26 26 LEU HA H 26 5.020 5.020 4.717 0.303 25129 39 1 . 1 1 26 26 LEU H H 26 8.042 8.042 7.385 0.657 25129 stop_ save_