data_25409 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25409 _Entry.PDB_ID 2MXH 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 25409 _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 ALA HA H 2 4.371 4.371 4.852 -0.481 25409 2 1 1 . 1 1 2 2 ALA H H 2 8.345 8.345 8.037 0.308 25409 3 1 1 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.709 -0.508 25409 4 1 1 . 1 1 3 3 ARG H H 3 7.844 7.844 8.461 -0.617 25409 5 1 1 . 1 1 4 4 GLY H H 4 8.022 8.022 8.875 -0.853 25409 6 1 1 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.061 -0.502 25409 7 1 1 . 1 1 5 5 TRP H H 5 7.627 7.627 7.786 -0.159 25409 8 1 1 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.499 0.626 25409 9 1 1 . 1 1 6 6 LYS H H 6 7.828 7.828 7.242 0.586 25409 10 1 1 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.109 0.057 25409 11 1 1 . 1 1 7 7 ARG H H 7 7.482 7.482 7.408 0.074 25409 12 1 1 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.224 0.077 25409 13 1 1 . 1 1 8 8 LYS H H 8 7.903 7.903 7.962 -0.059 25409 14 1 1 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.798 0.023 25409 15 1 1 . 1 1 9 9 CYS H H 9 7.993 7.993 8.213 -0.220 25409 16 1 1 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.492 -0.391 25409 17 1 1 . 1 1 11 11 LEU H H 11 7.566 7.566 7.699 -0.133 25409 18 1 1 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.659 -0.000 25409 19 1 1 . 1 1 12 12 PHE H H 12 7.574 7.574 7.920 -0.346 25409 20 1 1 . 1 1 13 13 GLY H H 13 8.073 8.073 7.720 0.353 25409 21 1 1 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.175 0.143 25409 22 1 1 . 1 1 14 14 LYS H H 14 7.928 7.928 7.535 0.393 25409 23 1 1 . 1 1 15 15 GLY H H 15 8.273 8.273 8.047 0.226 25409 24 1 2 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.921 -0.550 25409 25 1 2 . 1 1 2 2 ALA H H 2 8.345 8.345 8.724 -0.379 25409 26 1 2 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.007 0.194 25409 27 1 2 . 1 1 3 3 ARG H H 3 7.844 7.844 8.406 -0.562 25409 28 1 2 . 1 1 4 4 GLY H H 4 8.022 8.022 8.576 -0.554 25409 29 1 2 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.735 -0.176 25409 30 1 2 . 1 1 5 5 TRP H H 5 7.627 7.627 8.208 -0.581 25409 31 1 2 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.834 0.291 25409 32 1 2 . 1 1 6 6 LYS H H 6 7.828 7.828 6.959 0.869 25409 33 1 2 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.061 0.105 25409 34 1 2 . 1 1 7 7 ARG H H 7 7.482 7.482 7.623 -0.141 25409 35 1 2 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.265 0.036 25409 36 1 2 . 1 1 8 8 LYS H H 8 7.903 7.903 7.622 0.281 25409 37 1 2 . 1 1 9 9 CYS HA H 9 4.821 4.821 5.001 -0.180 25409 38 1 2 . 1 1 9 9 CYS H H 9 7.993 7.993 8.106 -0.113 25409 39 1 2 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.394 -0.293 25409 40 1 2 . 1 1 11 11 LEU H H 11 7.566 7.566 7.737 -0.171 25409 41 1 2 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.594 0.065 25409 42 1 2 . 1 1 12 12 PHE H H 12 7.574 7.574 8.071 -0.497 25409 43 1 2 . 1 1 13 13 GLY H H 13 8.073 8.073 8.184 -0.111 25409 44 1 2 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.528 -0.210 25409 45 1 2 . 1 1 14 14 LYS H H 14 7.928 7.928 7.943 -0.015 25409 46 1 2 . 1 1 15 15 GLY H H 15 8.273 8.273 8.214 0.059 25409 47 1 3 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.950 -0.579 25409 48 1 3 . 1 1 2 2 ALA H H 2 8.345 8.345 7.753 0.592 25409 49 1 3 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.349 -0.148 25409 50 1 3 . 1 1 3 3 ARG H H 3 7.844 7.844 8.316 -0.472 25409 51 1 3 . 1 1 4 4 GLY H H 4 8.022 8.022 8.537 -0.515 25409 52 1 3 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.080 -0.521 25409 53 1 3 . 1 1 5 5 TRP H H 5 7.627 7.627 8.035 -0.408 25409 54 1 3 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.844 0.281 25409 55 1 3 . 1 1 6 6 LYS H H 6 7.828 7.828 7.996 -0.168 25409 56 1 3 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.208 -0.042 25409 57 1 3 . 1 1 7 7 ARG H H 7 7.482 7.482 7.716 -0.234 25409 58 1 3 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.328 -0.027 25409 59 1 3 . 1 1 8 8 LYS H H 8 7.903 7.903 7.896 0.007 25409 60 1 3 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.641 0.180 25409 61 1 3 . 1 1 9 9 CYS H H 9 7.993 7.993 8.582 -0.589 25409 62 1 3 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.867 -0.766 25409 63 1 3 . 1 1 11 11 LEU H H 11 7.566 7.566 7.481 0.085 25409 64 1 3 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.701 -0.042 25409 65 1 3 . 1 1 12 12 PHE H H 12 7.574 7.574 7.904 -0.330 25409 66 1 3 . 1 1 13 13 GLY H H 13 8.073 8.073 8.246 -0.173 25409 67 1 3 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.502 -0.184 25409 68 1 3 . 1 1 14 14 LYS H H 14 7.928 7.928 8.126 -0.198 25409 69 1 3 . 1 1 15 15 GLY H H 15 8.273 8.273 8.341 -0.068 25409 70 1 4 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.658 -0.287 25409 71 1 4 . 1 1 2 2 ALA H H 2 8.345 8.345 8.069 0.276 25409 72 1 4 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.540 -0.339 25409 73 1 4 . 1 1 3 3 ARG H H 3 7.844 7.844 8.476 -0.632 25409 74 1 4 . 1 1 4 4 GLY H H 4 8.022 8.022 8.812 -0.790 25409 75 1 4 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.097 -0.538 25409 76 1 4 . 1 1 5 5 TRP H H 5 7.627 7.627 8.056 -0.429 25409 77 1 4 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.515 0.610 25409 78 1 4 . 1 1 6 6 LYS H H 6 7.828 7.828 7.220 0.608 25409 79 1 4 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.119 0.047 25409 80 1 4 . 1 1 7 7 ARG H H 7 7.482 7.482 7.399 0.083 25409 81 1 4 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.234 0.067 25409 82 1 4 . 1 1 8 8 LYS H H 8 7.903 7.903 7.991 -0.088 25409 83 1 4 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.858 -0.037 25409 84 1 4 . 1 1 9 9 CYS H H 9 7.993 7.993 8.282 -0.289 25409 85 1 4 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.488 -0.387 25409 86 1 4 . 1 1 11 11 LEU H H 11 7.566 7.566 7.626 -0.060 25409 87 1 4 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.706 -0.047 25409 88 1 4 . 1 1 12 12 PHE H H 12 7.574 7.574 7.985 -0.411 25409 89 1 4 . 1 1 13 13 GLY H H 13 8.073 8.073 7.750 0.323 25409 90 1 4 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.403 -0.085 25409 91 1 4 . 1 1 14 14 LYS H H 14 7.928 7.928 7.418 0.510 25409 92 1 4 . 1 1 15 15 GLY H H 15 8.273 8.273 7.444 0.829 25409 93 1 5 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.850 -0.479 25409 94 1 5 . 1 1 2 2 ALA H H 2 8.345 8.345 7.980 0.365 25409 95 1 5 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.760 -0.559 25409 96 1 5 . 1 1 3 3 ARG H H 3 7.844 7.844 8.476 -0.632 25409 97 1 5 . 1 1 4 4 GLY H H 4 8.022 8.022 9.000 -0.978 25409 98 1 5 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.932 -0.373 25409 99 1 5 . 1 1 5 5 TRP H H 5 7.627 7.627 8.301 -0.674 25409 100 1 5 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.622 0.503 25409 101 1 5 . 1 1 6 6 LYS H H 6 7.828 7.828 7.587 0.241 25409 102 1 5 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.067 0.099 25409 103 1 5 . 1 1 7 7 ARG H H 7 7.482 7.482 7.924 -0.442 25409 104 1 5 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.241 0.060 25409 105 1 5 . 1 1 8 8 LYS H H 8 7.903 7.903 8.164 -0.261 25409 106 1 5 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.965 -0.144 25409 107 1 5 . 1 1 9 9 CYS H H 9 7.993 7.993 8.116 -0.123 25409 108 1 5 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.527 -0.426 25409 109 1 5 . 1 1 11 11 LEU H H 11 7.566 7.566 7.551 0.015 25409 110 1 5 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.710 -0.051 25409 111 1 5 . 1 1 12 12 PHE H H 12 7.574 7.574 7.850 -0.276 25409 112 1 5 . 1 1 13 13 GLY H H 13 8.073 8.073 7.504 0.569 25409 113 1 5 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.319 -0.001 25409 114 1 5 . 1 1 14 14 LYS H H 14 7.928 7.928 7.482 0.446 25409 115 1 5 . 1 1 15 15 GLY H H 15 8.273 8.273 7.727 0.546 25409 116 1 6 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.908 -0.537 25409 117 1 6 . 1 1 2 2 ALA H H 2 8.345 8.345 8.052 0.293 25409 118 1 6 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.650 -0.449 25409 119 1 6 . 1 1 3 3 ARG H H 3 7.844 7.844 8.327 -0.483 25409 120 1 6 . 1 1 4 4 GLY H H 4 8.022 8.022 8.864 -0.842 25409 121 1 6 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.054 -0.495 25409 122 1 6 . 1 1 5 5 TRP H H 5 7.627 7.627 8.279 -0.652 25409 123 1 6 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.573 0.552 25409 124 1 6 . 1 1 6 6 LYS H H 6 7.828 7.828 7.119 0.709 25409 125 1 6 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.104 0.062 25409 126 1 6 . 1 1 7 7 ARG H H 7 7.482 7.482 7.630 -0.148 25409 127 1 6 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.271 0.030 25409 128 1 6 . 1 1 8 8 LYS H H 8 7.903 7.903 7.972 -0.069 25409 129 1 6 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.940 -0.119 25409 130 1 6 . 1 1 9 9 CYS H H 9 7.993 7.993 8.605 -0.612 25409 131 1 6 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.337 -0.236 25409 132 1 6 . 1 1 11 11 LEU H H 11 7.566 7.566 7.586 -0.020 25409 133 1 6 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.590 0.069 25409 134 1 6 . 1 1 12 12 PHE H H 12 7.574 7.574 7.772 -0.198 25409 135 1 6 . 1 1 13 13 GLY H H 13 8.073 8.073 8.234 -0.161 25409 136 1 6 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.476 -0.158 25409 137 1 6 . 1 1 14 14 LYS H H 14 7.928 7.928 7.814 0.115 25409 138 1 6 . 1 1 15 15 GLY H H 15 8.273 8.273 8.290 -0.017 25409 139 1 7 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.828 -0.457 25409 140 1 7 . 1 1 2 2 ALA H H 2 8.345 8.345 8.162 0.183 25409 141 1 7 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.693 -0.492 25409 142 1 7 . 1 1 3 3 ARG H H 3 7.844 7.844 8.341 -0.497 25409 143 1 7 . 1 1 4 4 GLY H H 4 8.022 8.022 9.021 -0.999 25409 144 1 7 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.067 -0.508 25409 145 1 7 . 1 1 5 5 TRP H H 5 7.627 7.627 8.288 -0.661 25409 146 1 7 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.539 0.586 25409 147 1 7 . 1 1 6 6 LYS H H 6 7.828 7.828 7.043 0.785 25409 148 1 7 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.111 0.055 25409 149 1 7 . 1 1 7 7 ARG H H 7 7.482 7.482 7.491 -0.009 25409 150 1 7 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.257 0.044 25409 151 1 7 . 1 1 8 8 LYS H H 8 7.903 7.903 7.939 -0.036 25409 152 1 7 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.825 -0.004 25409 153 1 7 . 1 1 9 9 CYS H H 9 7.993 7.993 8.258 -0.265 25409 154 1 7 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.479 -0.378 25409 155 1 7 . 1 1 11 11 LEU H H 11 7.566 7.566 7.639 -0.073 25409 156 1 7 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.743 -0.084 25409 157 1 7 . 1 1 12 12 PHE H H 12 7.574 7.574 7.836 -0.262 25409 158 1 7 . 1 1 13 13 GLY H H 13 8.073 8.073 7.560 0.513 25409 159 1 7 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.341 -0.023 25409 160 1 7 . 1 1 14 14 LYS H H 14 7.928 7.928 7.423 0.505 25409 161 1 7 . 1 1 15 15 GLY H H 15 8.273 8.273 7.498 0.775 25409 162 1 8 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.534 -0.163 25409 163 1 8 . 1 1 2 2 ALA H H 2 8.345 8.345 8.567 -0.222 25409 164 1 8 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.388 -0.187 25409 165 1 8 . 1 1 3 3 ARG H H 3 7.844 7.844 7.851 -0.007 25409 166 1 8 . 1 1 4 4 GLY H H 4 8.022 8.022 8.818 -0.796 25409 167 1 8 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.109 -0.550 25409 168 1 8 . 1 1 5 5 TRP H H 5 7.627 7.627 8.216 -0.589 25409 169 1 8 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.825 0.300 25409 170 1 8 . 1 1 6 6 LYS H H 6 7.828 7.828 8.252 -0.424 25409 171 1 8 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.208 -0.042 25409 172 1 8 . 1 1 7 7 ARG H H 7 7.482 7.482 7.582 -0.100 25409 173 1 8 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.260 0.041 25409 174 1 8 . 1 1 8 8 LYS H H 8 7.903 7.903 7.969 -0.066 25409 175 1 8 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.554 0.267 25409 176 1 8 . 1 1 9 9 CYS H H 9 7.993 7.993 8.205 -0.212 25409 177 1 8 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.933 -0.832 25409 178 1 8 . 1 1 11 11 LEU H H 11 7.566 7.566 7.649 -0.083 25409 179 1 8 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.718 -0.059 25409 180 1 8 . 1 1 12 12 PHE H H 12 7.574 7.574 8.127 -0.553 25409 181 1 8 . 1 1 13 13 GLY H H 13 8.073 8.073 8.109 -0.036 25409 182 1 8 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.122 0.196 25409 183 1 8 . 1 1 14 14 LYS H H 14 7.928 7.928 7.874 0.054 25409 184 1 8 . 1 1 15 15 GLY H H 15 8.273 8.273 7.487 0.786 25409 185 1 9 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.767 -0.396 25409 186 1 9 . 1 1 2 2 ALA H H 2 8.345 8.345 8.402 -0.057 25409 187 1 9 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.710 -0.509 25409 188 1 9 . 1 1 3 3 ARG H H 3 7.844 7.844 8.450 -0.606 25409 189 1 9 . 1 1 4 4 GLY H H 4 8.022 8.022 9.027 -1.005 25409 190 1 9 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.077 -0.518 25409 191 1 9 . 1 1 5 5 TRP H H 5 7.627 7.627 8.170 -0.543 25409 192 1 9 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.498 0.627 25409 193 1 9 . 1 1 6 6 LYS H H 6 7.828 7.828 7.172 0.656 25409 194 1 9 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.080 0.086 25409 195 1 9 . 1 1 7 7 ARG H H 7 7.482 7.482 7.481 0.001 25409 196 1 9 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.296 0.005 25409 197 1 9 . 1 1 8 8 LYS H H 8 7.903 7.903 8.060 -0.157 25409 198 1 9 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.937 -0.116 25409 199 1 9 . 1 1 9 9 CYS H H 9 7.993 7.993 8.339 -0.346 25409 200 1 9 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.504 -0.403 25409 201 1 9 . 1 1 11 11 LEU H H 11 7.566 7.566 7.621 -0.055 25409 202 1 9 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.717 -0.058 25409 203 1 9 . 1 1 12 12 PHE H H 12 7.574 7.574 8.007 -0.433 25409 204 1 9 . 1 1 13 13 GLY H H 13 8.073 8.073 7.716 0.357 25409 205 1 9 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.327 -0.009 25409 206 1 9 . 1 1 14 14 LYS H H 14 7.928 7.928 7.560 0.368 25409 207 1 9 . 1 1 15 15 GLY H H 15 8.273 8.273 7.584 0.689 25409 208 1 10 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.686 -0.315 25409 209 1 10 . 1 1 2 2 ALA H H 2 8.345 8.345 8.343 0.002 25409 210 1 10 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.548 -0.347 25409 211 1 10 . 1 1 3 3 ARG H H 3 7.844 7.844 8.491 -0.647 25409 212 1 10 . 1 1 4 4 GLY H H 4 8.022 8.022 8.735 -0.713 25409 213 1 10 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.125 -0.566 25409 214 1 10 . 1 1 5 5 TRP H H 5 7.627 7.627 8.014 -0.387 25409 215 1 10 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.527 0.598 25409 216 1 10 . 1 1 6 6 LYS H H 6 7.828 7.828 7.352 0.476 25409 217 1 10 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.087 0.079 25409 218 1 10 . 1 1 7 7 ARG H H 7 7.482 7.482 7.454 0.028 25409 219 1 10 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.276 0.025 25409 220 1 10 . 1 1 8 8 LYS H H 8 7.903 7.903 8.103 -0.200 25409 221 1 10 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.931 -0.110 25409 222 1 10 . 1 1 9 9 CYS H H 9 7.993 7.993 8.277 -0.284 25409 223 1 10 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.504 -0.403 25409 224 1 10 . 1 1 11 11 LEU H H 11 7.566 7.566 7.664 -0.098 25409 225 1 10 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.625 0.034 25409 226 1 10 . 1 1 12 12 PHE H H 12 7.574 7.574 8.046 -0.472 25409 227 1 10 . 1 1 13 13 GLY H H 13 8.073 8.073 7.875 0.198 25409 228 1 10 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.209 0.109 25409 229 1 10 . 1 1 14 14 LYS H H 14 7.928 7.928 7.412 0.516 25409 230 1 10 . 1 1 15 15 GLY H H 15 8.273 8.273 7.165 1.108 25409 231 1 11 . 1 1 2 2 ALA HA H 2 4.371 4.371 5.142 -0.771 25409 232 1 11 . 1 1 2 2 ALA H H 2 8.345 8.345 8.472 -0.127 25409 233 1 11 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.102 0.099 25409 234 1 11 . 1 1 3 3 ARG H H 3 7.844 7.844 7.772 0.072 25409 235 1 11 . 1 1 4 4 GLY H H 4 8.022 8.022 8.893 -0.871 25409 236 1 11 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.747 -0.188 25409 237 1 11 . 1 1 5 5 TRP H H 5 7.627 7.627 7.380 0.247 25409 238 1 11 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.007 0.118 25409 239 1 11 . 1 1 6 6 LYS H H 6 7.828 7.828 8.174 -0.346 25409 240 1 11 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.118 0.048 25409 241 1 11 . 1 1 7 7 ARG H H 7 7.482 7.482 7.685 -0.203 25409 242 1 11 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.351 -0.050 25409 243 1 11 . 1 1 8 8 LYS H H 8 7.903 7.903 7.837 0.066 25409 244 1 11 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.998 -0.177 25409 245 1 11 . 1 1 9 9 CYS H H 9 7.993 7.993 8.187 -0.194 25409 246 1 11 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.482 -0.381 25409 247 1 11 . 1 1 11 11 LEU H H 11 7.566 7.566 7.509 0.057 25409 248 1 11 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.608 0.051 25409 249 1 11 . 1 1 12 12 PHE H H 12 7.574 7.574 7.667 -0.093 25409 250 1 11 . 1 1 13 13 GLY H H 13 8.073 8.073 8.083 -0.010 25409 251 1 11 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.227 0.091 25409 252 1 11 . 1 1 14 14 LYS H H 14 7.928 7.928 7.434 0.494 25409 253 1 11 . 1 1 15 15 GLY H H 15 8.273 8.273 7.999 0.274 25409 254 1 12 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.796 -0.425 25409 255 1 12 . 1 1 2 2 ALA H H 2 8.345 8.345 8.453 -0.108 25409 256 1 12 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.490 -0.289 25409 257 1 12 . 1 1 3 3 ARG H H 3 7.844 7.844 8.049 -0.205 25409 258 1 12 . 1 1 4 4 GLY H H 4 8.022 8.022 8.720 -0.698 25409 259 1 12 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.993 -0.434 25409 260 1 12 . 1 1 5 5 TRP H H 5 7.627 7.627 8.137 -0.510 25409 261 1 12 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.606 0.519 25409 262 1 12 . 1 1 6 6 LYS H H 6 7.828 7.828 7.145 0.683 25409 263 1 12 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.018 0.148 25409 264 1 12 . 1 1 7 7 ARG H H 7 7.482 7.482 7.376 0.106 25409 265 1 12 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.214 0.087 25409 266 1 12 . 1 1 8 8 LYS H H 8 7.903 7.903 7.743 0.160 25409 267 1 12 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.943 -0.122 25409 268 1 12 . 1 1 9 9 CYS H H 9 7.993 7.993 8.144 -0.151 25409 269 1 12 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.443 -0.342 25409 270 1 12 . 1 1 11 11 LEU H H 11 7.566 7.566 7.785 -0.219 25409 271 1 12 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.591 0.068 25409 272 1 12 . 1 1 12 12 PHE H H 12 7.574 7.574 8.122 -0.548 25409 273 1 12 . 1 1 13 13 GLY H H 13 8.073 8.073 8.253 -0.180 25409 274 1 12 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.465 -0.147 25409 275 1 12 . 1 1 14 14 LYS H H 14 7.928 7.928 7.905 0.023 25409 276 1 12 . 1 1 15 15 GLY H H 15 8.273 8.273 8.197 0.076 25409 277 1 13 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.688 -0.317 25409 278 1 13 . 1 1 2 2 ALA H H 2 8.345 8.345 7.796 0.549 25409 279 1 13 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.646 -0.445 25409 280 1 13 . 1 1 3 3 ARG H H 3 7.844 7.844 8.391 -0.547 25409 281 1 13 . 1 1 4 4 GLY H H 4 8.022 8.022 8.635 -0.613 25409 282 1 13 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.143 -0.584 25409 283 1 13 . 1 1 5 5 TRP H H 5 7.627 7.627 8.161 -0.534 25409 284 1 13 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.501 0.624 25409 285 1 13 . 1 1 6 6 LYS H H 6 7.828 7.828 7.047 0.781 25409 286 1 13 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.082 0.084 25409 287 1 13 . 1 1 7 7 ARG H H 7 7.482 7.482 7.415 0.067 25409 288 1 13 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.320 -0.019 25409 289 1 13 . 1 1 8 8 LYS H H 8 7.903 7.903 8.114 -0.211 25409 290 1 13 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.910 -0.089 25409 291 1 13 . 1 1 9 9 CYS H H 9 7.993 7.993 8.516 -0.523 25409 292 1 13 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.527 -0.426 25409 293 1 13 . 1 1 11 11 LEU H H 11 7.566 7.566 7.550 0.016 25409 294 1 13 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.694 -0.035 25409 295 1 13 . 1 1 12 12 PHE H H 12 7.574 7.574 8.019 -0.445 25409 296 1 13 . 1 1 13 13 GLY H H 13 8.073 8.073 8.323 -0.250 25409 297 1 13 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.155 0.163 25409 298 1 13 . 1 1 14 14 LYS H H 14 7.928 7.928 7.970 -0.042 25409 299 1 13 . 1 1 15 15 GLY H H 15 8.273 8.273 8.698 -0.425 25409 300 1 14 . 1 1 2 2 ALA HA H 2 4.371 4.371 5.125 -0.754 25409 301 1 14 . 1 1 2 2 ALA H H 2 8.345 8.345 8.721 -0.376 25409 302 1 14 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.095 0.106 25409 303 1 14 . 1 1 3 3 ARG H H 3 7.844 7.844 7.776 0.068 25409 304 1 14 . 1 1 4 4 GLY H H 4 8.022 8.022 8.907 -0.885 25409 305 1 14 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.814 -0.255 25409 306 1 14 . 1 1 5 5 TRP H H 5 7.627 7.627 7.595 0.032 25409 307 1 14 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.968 0.157 25409 308 1 14 . 1 1 6 6 LYS H H 6 7.828 7.828 8.150 -0.322 25409 309 1 14 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.140 0.026 25409 310 1 14 . 1 1 7 7 ARG H H 7 7.482 7.482 7.720 -0.238 25409 311 1 14 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.380 -0.079 25409 312 1 14 . 1 1 8 8 LYS H H 8 7.903 7.903 7.939 -0.036 25409 313 1 14 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.849 -0.028 25409 314 1 14 . 1 1 9 9 CYS H H 9 7.993 7.993 8.211 -0.218 25409 315 1 14 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.311 -0.210 25409 316 1 14 . 1 1 11 11 LEU H H 11 7.566 7.566 7.334 0.232 25409 317 1 14 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.531 0.128 25409 318 1 14 . 1 1 12 12 PHE H H 12 7.574 7.574 7.531 0.043 25409 319 1 14 . 1 1 13 13 GLY H H 13 8.073 8.073 8.155 -0.082 25409 320 1 14 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.213 0.105 25409 321 1 14 . 1 1 14 14 LYS H H 14 7.928 7.928 7.715 0.213 25409 322 1 14 . 1 1 15 15 GLY H H 15 8.273 8.273 8.278 -0.005 25409 323 1 15 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.957 -0.586 25409 324 1 15 . 1 1 2 2 ALA H H 2 8.345 8.345 8.499 -0.154 25409 325 1 15 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.486 -0.285 25409 326 1 15 . 1 1 3 3 ARG H H 3 7.844 7.844 7.891 -0.047 25409 327 1 15 . 1 1 4 4 GLY H H 4 8.022 8.022 7.750 0.272 25409 328 1 15 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.573 -0.014 25409 329 1 15 . 1 1 5 5 TRP H H 5 7.627 7.627 7.922 -0.295 25409 330 1 15 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.099 0.026 25409 331 1 15 . 1 1 6 6 LYS H H 6 7.828 7.828 8.293 -0.465 25409 332 1 15 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.121 0.045 25409 333 1 15 . 1 1 7 7 ARG H H 7 7.482 7.482 7.632 -0.150 25409 334 1 15 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.314 -0.013 25409 335 1 15 . 1 1 8 8 LYS H H 8 7.903 7.903 8.197 -0.294 25409 336 1 15 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.757 0.064 25409 337 1 15 . 1 1 9 9 CYS H H 9 7.993 7.993 8.188 -0.195 25409 338 1 15 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.205 -0.104 25409 339 1 15 . 1 1 11 11 LEU H H 11 7.566 7.566 7.227 0.339 25409 340 1 15 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.610 0.049 25409 341 1 15 . 1 1 12 12 PHE H H 12 7.574 7.574 7.435 0.139 25409 342 1 15 . 1 1 13 13 GLY H H 13 8.073 8.073 7.328 0.745 25409 343 1 15 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.252 0.066 25409 344 1 15 . 1 1 14 14 LYS H H 14 7.928 7.928 8.059 -0.131 25409 345 1 15 . 1 1 15 15 GLY H H 15 8.273 8.273 7.970 0.303 25409 346 1 16 . 1 1 2 2 ALA HA H 2 4.371 4.371 5.042 -0.671 25409 347 1 16 . 1 1 2 2 ALA H H 2 8.345 8.345 8.047 0.298 25409 348 1 16 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.423 -0.222 25409 349 1 16 . 1 1 3 3 ARG H H 3 7.844 7.844 8.363 -0.519 25409 350 1 16 . 1 1 4 4 GLY H H 4 8.022 8.022 8.993 -0.971 25409 351 1 16 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.580 -0.021 25409 352 1 16 . 1 1 5 5 TRP H H 5 7.627 7.627 8.150 -0.523 25409 353 1 16 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.245 -0.120 25409 354 1 16 . 1 1 6 6 LYS H H 6 7.828 7.828 8.207 -0.379 25409 355 1 16 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.232 -0.066 25409 356 1 16 . 1 1 7 7 ARG H H 7 7.482 7.482 7.664 -0.182 25409 357 1 16 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.208 0.093 25409 358 1 16 . 1 1 8 8 LYS H H 8 7.903 7.903 8.016 -0.113 25409 359 1 16 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.651 0.170 25409 360 1 16 . 1 1 9 9 CYS H H 9 7.993 7.993 7.566 0.427 25409 361 1 16 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.301 -0.200 25409 362 1 16 . 1 1 11 11 LEU H H 11 7.566 7.566 7.219 0.347 25409 363 1 16 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.563 0.096 25409 364 1 16 . 1 1 12 12 PHE H H 12 7.574 7.574 7.526 0.048 25409 365 1 16 . 1 1 13 13 GLY H H 13 8.073 8.073 7.470 0.603 25409 366 1 16 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.489 -0.171 25409 367 1 16 . 1 1 14 14 LYS H H 14 7.928 7.928 7.815 0.113 25409 368 1 16 . 1 1 15 15 GLY H H 15 8.273 8.273 7.871 0.402 25409 369 1 17 . 1 1 2 2 ALA HA H 2 4.371 4.371 5.055 -0.684 25409 370 1 17 . 1 1 2 2 ALA H H 2 8.345 8.345 8.345 -0.000 25409 371 1 17 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.420 -0.219 25409 372 1 17 . 1 1 3 3 ARG H H 3 7.844 7.844 8.500 -0.656 25409 373 1 17 . 1 1 4 4 GLY H H 4 8.022 8.022 9.008 -0.986 25409 374 1 17 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.517 0.042 25409 375 1 17 . 1 1 5 5 TRP H H 5 7.627 7.627 7.853 -0.226 25409 376 1 17 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.093 0.032 25409 377 1 17 . 1 1 6 6 LYS H H 6 7.828 7.828 8.277 -0.449 25409 378 1 17 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.119 0.047 25409 379 1 17 . 1 1 7 7 ARG H H 7 7.482 7.482 7.560 -0.078 25409 380 1 17 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.206 0.095 25409 381 1 17 . 1 1 8 8 LYS H H 8 7.903 7.903 8.149 -0.246 25409 382 1 17 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.626 0.195 25409 383 1 17 . 1 1 9 9 CYS H H 9 7.993 7.993 7.856 0.137 25409 384 1 17 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.215 -0.114 25409 385 1 17 . 1 1 11 11 LEU H H 11 7.566 7.566 7.296 0.270 25409 386 1 17 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.544 0.115 25409 387 1 17 . 1 1 12 12 PHE H H 12 7.574 7.574 7.564 0.010 25409 388 1 17 . 1 1 13 13 GLY H H 13 8.073 8.073 7.546 0.527 25409 389 1 17 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.430 -0.112 25409 390 1 17 . 1 1 14 14 LYS H H 14 7.928 7.928 7.849 0.079 25409 391 1 17 . 1 1 15 15 GLY H H 15 8.273 8.273 7.759 0.514 25409 392 1 18 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.824 -0.453 25409 393 1 18 . 1 1 2 2 ALA H H 2 8.345 8.345 8.504 -0.159 25409 394 1 18 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.514 -0.313 25409 395 1 18 . 1 1 3 3 ARG H H 3 7.844 7.844 8.102 -0.258 25409 396 1 18 . 1 1 4 4 GLY H H 4 8.022 8.022 8.680 -0.658 25409 397 1 18 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.093 -0.534 25409 398 1 18 . 1 1 5 5 TRP H H 5 7.627 7.627 7.952 -0.325 25409 399 1 18 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.494 0.631 25409 400 1 18 . 1 1 6 6 LYS H H 6 7.828 7.828 7.272 0.556 25409 401 1 18 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.072 0.094 25409 402 1 18 . 1 1 7 7 ARG H H 7 7.482 7.482 7.418 0.064 25409 403 1 18 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.324 -0.023 25409 404 1 18 . 1 1 8 8 LYS H H 8 7.903 7.903 8.099 -0.196 25409 405 1 18 . 1 1 9 9 CYS HA H 9 4.821 4.821 5.050 -0.229 25409 406 1 18 . 1 1 9 9 CYS H H 9 7.993 7.993 8.243 -0.250 25409 407 1 18 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.516 -0.415 25409 408 1 18 . 1 1 11 11 LEU H H 11 7.566 7.566 7.569 -0.003 25409 409 1 18 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.531 0.128 25409 410 1 18 . 1 1 12 12 PHE H H 12 7.574 7.574 7.896 -0.322 25409 411 1 18 . 1 1 13 13 GLY H H 13 8.073 8.073 8.129 -0.056 25409 412 1 18 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.517 -0.199 25409 413 1 18 . 1 1 14 14 LYS H H 14 7.928 7.928 7.753 0.175 25409 414 1 18 . 1 1 15 15 GLY H H 15 8.273 8.273 8.431 -0.158 25409 415 1 19 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.479 -0.108 25409 416 1 19 . 1 1 2 2 ALA H H 2 8.345 8.345 8.202 0.143 25409 417 1 19 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.461 -0.260 25409 418 1 19 . 1 1 3 3 ARG H H 3 7.844 7.844 7.874 -0.030 25409 419 1 19 . 1 1 4 4 GLY H H 4 8.022 8.022 8.878 -0.856 25409 420 1 19 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.217 -0.658 25409 421 1 19 . 1 1 5 5 TRP H H 5 7.627 7.627 8.079 -0.452 25409 422 1 19 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.863 0.262 25409 423 1 19 . 1 1 6 6 LYS H H 6 7.828 7.828 8.287 -0.459 25409 424 1 19 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.167 -0.001 25409 425 1 19 . 1 1 7 7 ARG H H 7 7.482 7.482 7.605 -0.123 25409 426 1 19 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.253 0.048 25409 427 1 19 . 1 1 8 8 LYS H H 8 7.903 7.903 8.128 -0.225 25409 428 1 19 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.582 0.239 25409 429 1 19 . 1 1 9 9 CYS H H 9 7.993 7.993 8.281 -0.288 25409 430 1 19 . 1 1 11 11 LEU HA H 11 4.101 4.101 5.013 -0.912 25409 431 1 19 . 1 1 11 11 LEU H H 11 7.566 7.566 7.565 0.001 25409 432 1 19 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.581 0.078 25409 433 1 19 . 1 1 12 12 PHE H H 12 7.574 7.574 7.935 -0.361 25409 434 1 19 . 1 1 13 13 GLY H H 13 8.073 8.073 8.557 -0.484 25409 435 1 19 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.039 0.279 25409 436 1 19 . 1 1 14 14 LYS H H 14 7.928 7.928 7.454 0.474 25409 437 1 19 . 1 1 15 15 GLY H H 15 8.273 8.273 7.710 0.563 25409 438 1 20 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.583 -0.212 25409 439 1 20 . 1 1 2 2 ALA H H 2 8.345 8.345 8.641 -0.296 25409 440 1 20 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.478 -0.277 25409 441 1 20 . 1 1 3 3 ARG H H 3 7.844 7.844 7.890 -0.046 25409 442 1 20 . 1 1 4 4 GLY H H 4 8.022 8.022 8.871 -0.849 25409 443 1 20 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.249 -0.690 25409 444 1 20 . 1 1 5 5 TRP H H 5 7.627 7.627 8.122 -0.495 25409 445 1 20 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.000 0.125 25409 446 1 20 . 1 1 6 6 LYS H H 6 7.828 7.828 8.344 -0.516 25409 447 1 20 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.162 0.004 25409 448 1 20 . 1 1 7 7 ARG H H 7 7.482 7.482 7.624 -0.142 25409 449 1 20 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.252 0.049 25409 450 1 20 . 1 1 8 8 LYS H H 8 7.903 7.903 8.076 -0.173 25409 451 1 20 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.674 0.147 25409 452 1 20 . 1 1 9 9 CYS H H 9 7.993 7.993 8.293 -0.300 25409 453 1 20 . 1 1 11 11 LEU HA H 11 4.101 4.101 5.002 -0.901 25409 454 1 20 . 1 1 11 11 LEU H H 11 7.566 7.566 7.539 0.027 25409 455 1 20 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.602 0.057 25409 456 1 20 . 1 1 12 12 PHE H H 12 7.574 7.574 8.016 -0.442 25409 457 1 20 . 1 1 13 13 GLY H H 13 8.073 8.073 8.718 -0.645 25409 458 1 20 . 1 1 14 14 LYS HA H 14 4.318 4.318 3.997 0.321 25409 459 1 20 . 1 1 14 14 LYS H H 14 7.928 7.928 7.390 0.538 25409 460 1 20 . 1 1 15 15 GLY H H 15 8.273 8.273 7.621 0.652 25409 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 25409 2 1 1 "Average Difference" HA 16 0.366 -0.059 0.373 25409 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25409 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25409 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25409 6 1 1 "Average Difference" HN 13 0.402 0.034 0.416 25409 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25409 8 1 2 "Average Difference" HA 16 0.267 -0.034 0.274 25409 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25409 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25409 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25409 12 1 2 "Average Difference" HN 13 0.417 0.147 0.406 25409 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25409 14 1 3 "Average Difference" HA 16 0.322 0.097 0.317 25409 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25409 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25409 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25409 18 1 3 "Average Difference" HN 13 0.354 0.190 0.310 25409 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25409 20 1 4 "Average Difference" HA 16 0.366 -0.066 0.372 25409 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25409 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25409 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25409 24 1 4 "Average Difference" HN 13 0.478 0.005 0.498 25409 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25409 26 1 5 "Average Difference" HA 16 0.323 -0.021 0.333 25409 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25409 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25409 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25409 30 1 5 "Average Difference" HN 13 0.494 0.092 0.505 25409 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25409 32 1 6 "Average Difference" HA 16 0.308 0.000 0.318 25409 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25409 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25409 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25409 36 1 6 "Average Difference" HN 13 0.433 0.160 0.418 25409 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25409 38 1 7 "Average Difference" HA 16 0.422 -0.079 0.428 25409 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25409 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25409 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25409 42 1 7 "Average Difference" HN 13 0.526 0.003 0.547 25409 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25409 44 1 8 "Average Difference" HA 16 0.413 -0.093 0.416 25409 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25409 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25409 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25409 48 1 8 "Average Difference" HN 13 0.412 0.173 0.389 25409 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25409 50 1 9 "Average Difference" HA 16 0.402 -0.060 0.411 25409 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25409 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25409 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25409 54 1 9 "Average Difference" HN 13 0.495 0.087 0.507 25409 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25409 56 1 10 "Average Difference" HA 16 0.356 -0.063 0.361 25409 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25409 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25409 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25409 60 1 10 "Average Difference" HN 13 0.495 0.036 0.514 25409 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25409 62 1 11 "Average Difference" HA 16 0.312 0.067 0.315 25409 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25409 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25409 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25409 66 1 11 "Average Difference" HN 13 0.325 0.049 0.335 25409 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25409 68 1 12 "Average Difference" HA 16 0.286 -0.028 0.294 25409 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25409 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25409 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25409 72 1 12 "Average Difference" HN 13 0.363 0.121 0.357 25409 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25409 74 1 13 "Average Difference" HA 16 0.321 -0.003 0.332 25409 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25409 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25409 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25409 78 1 13 "Average Difference" HN 13 0.450 0.168 0.435 25409 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25409 80 1 14 "Average Difference" HA 16 0.302 0.056 0.307 25409 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25409 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25409 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25409 84 1 14 "Average Difference" HN 13 0.310 0.121 0.297 25409 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25409 86 1 15 "Average Difference" HA 16 0.190 0.052 0.188 25409 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25409 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25409 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25409 90 1 15 "Average Difference" HN 13 0.322 -0.005 0.335 25409 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25409 92 1 16 "Average Difference" HA 16 0.221 0.103 0.202 25409 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25409 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25409 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25409 96 1 16 "Average Difference" HN 13 0.448 0.034 0.465 25409 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25409 98 1 17 "Average Difference" HA 16 0.209 0.050 0.210 25409 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25409 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25409 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25409 102 1 17 "Average Difference" HN 13 0.426 0.085 0.435 25409 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25409 104 1 18 "Average Difference" HA 16 0.310 0.053 0.315 25409 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25409 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25409 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25409 108 1 18 "Average Difference" HN 13 0.305 0.122 0.291 25409 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25409 110 1 19 "Average Difference" HA 16 0.450 -0.080 0.457 25409 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25409 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25409 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25409 114 1 19 "Average Difference" HN 13 0.414 0.161 0.396 25409 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25409 116 1 20 "Average Difference" HA 16 0.431 -0.034 0.444 25409 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25409 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25409 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25409 120 1 20 "Average Difference" HN 13 0.463 0.207 0.431 25409 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 25409 _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 ALA HA H 2 4.371 4.371 4.832 -0.461 25409 2 1 . 1 1 2 2 ALA H H 2 8.345 8.345 8.288 0.057 25409 3 1 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.473 -0.272 25409 4 1 . 1 1 3 3 ARG H H 3 7.844 7.844 8.210 -0.366 25409 5 1 . 1 1 4 4 GLY H H 4 8.022 8.022 8.780 -0.758 25409 6 1 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.963 -0.404 25409 7 1 . 1 1 5 5 TRP H H 5 7.627 7.627 8.035 -0.408 25409 8 1 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.758 0.367 25409 9 1 . 1 1 6 6 LYS H H 6 7.828 7.828 7.657 0.171 25409 10 1 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.119 0.047 25409 11 1 . 1 1 7 7 ARG H H 7 7.482 7.482 7.570 -0.088 25409 12 1 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.274 0.027 25409 13 1 . 1 1 8 8 LYS H H 8 7.903 7.903 7.999 -0.096 25409 14 1 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.824 -0.003 25409 15 1 . 1 1 9 9 CYS H H 9 7.993 7.993 8.223 -0.230 25409 16 1 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.527 -0.426 25409 17 1 . 1 1 11 11 LEU H H 11 7.566 7.566 7.542 0.024 25409 18 1 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.631 0.028 25409 19 1 . 1 1 12 12 PHE H H 12 7.574 7.574 7.861 -0.287 25409 20 1 . 1 1 13 13 GLY H H 13 8.073 8.073 7.973 0.100 25409 21 1 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.309 0.009 25409 22 1 . 1 1 14 14 LYS H H 14 7.928 7.928 7.697 0.232 25409 23 1 . 1 1 15 15 GLY H H 15 8.273 8.273 7.917 0.356 25409 stop_ save_