data_19865 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19865 _Entry.PDB_ID 2MMT 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 19865 _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 GLY H H 2 9.027 9.027 8.033 0.994 19865 2 1 1 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.831 -0.176 19865 3 1 1 . 1 1 3 3 ALA H H 3 8.543 8.543 8.644 -0.101 19865 4 1 1 . 1 1 4 4 GLY H H 4 7.776 7.776 8.183 -0.407 19865 5 1 1 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.383 0.320 19865 6 1 1 . 1 1 5 5 HIS H H 5 7.364 7.364 8.333 -0.969 19865 7 1 1 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.506 0.180 19865 8 1 1 . 1 1 6 6 VAL H H 6 8.702 8.702 7.942 0.760 19865 9 1 1 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.696 -0.458 19865 10 1 1 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.264 0.083 19865 11 1 1 . 1 1 8 8 GLU H H 8 8.288 8.288 8.626 -0.338 19865 12 1 1 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.779 -0.281 19865 13 1 1 . 1 1 9 9 TYR H H 9 7.476 7.476 6.609 0.867 19865 14 1 1 . 1 1 10 10 PHE HA H 10 4.795 4.795 5.004 -0.209 19865 15 1 1 . 1 1 10 10 PHE H H 10 8.093 8.093 8.627 -0.534 19865 16 1 1 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.528 -0.291 19865 17 1 1 . 1 1 11 11 VAL H H 11 8.218 8.218 8.433 -0.215 19865 18 1 1 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.334 -0.191 19865 19 1 1 . 1 1 12 12 ARG H H 12 8.360 8.360 8.780 -0.420 19865 20 1 1 . 1 1 13 13 GLY H H 13 8.491 8.491 7.629 0.862 19865 21 1 1 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.567 0.096 19865 22 1 1 . 1 1 14 14 ASP H H 14 8.254 8.254 8.386 -0.132 19865 23 1 1 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.910 0.020 19865 24 1 1 . 1 1 15 15 PHE H H 15 8.212 8.212 7.847 0.365 19865 25 1 1 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.616 -0.167 19865 26 1 1 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.288 0.100 19865 27 1 1 . 1 1 17 17 ILE H H 17 7.820 7.820 8.459 -0.639 19865 28 1 1 . 1 1 18 18 SER HA H 18 4.404 4.404 3.875 0.529 19865 29 1 1 . 1 1 18 18 SER H H 18 7.415 7.415 7.223 0.192 19865 30 1 1 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.859 0.583 19865 31 1 1 . 1 1 19 19 PHE H H 19 8.832 8.832 8.426 0.406 19865 32 1 1 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.417 0.518 19865 33 1 1 . 1 1 20 20 TYR H H 20 9.509 9.509 8.569 0.940 19865 34 1 2 . 1 1 2 2 GLY H H 2 9.027 9.027 7.927 1.100 19865 35 1 2 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.679 -0.024 19865 36 1 2 . 1 1 3 3 ALA H H 3 8.543 8.543 8.466 0.077 19865 37 1 2 . 1 1 4 4 GLY H H 4 7.776 7.776 8.176 -0.400 19865 38 1 2 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.373 0.330 19865 39 1 2 . 1 1 5 5 HIS H H 5 7.364 7.364 8.108 -0.744 19865 40 1 2 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.442 0.244 19865 41 1 2 . 1 1 6 6 VAL H H 6 8.702 8.702 7.901 0.801 19865 42 1 2 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.715 -0.477 19865 43 1 2 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.231 0.116 19865 44 1 2 . 1 1 8 8 GLU H H 8 8.288 8.288 8.629 -0.341 19865 45 1 2 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.773 -0.275 19865 46 1 2 . 1 1 9 9 TYR H H 9 7.476 7.476 6.593 0.883 19865 47 1 2 . 1 1 10 10 PHE HA H 10 4.795 4.795 4.948 -0.153 19865 48 1 2 . 1 1 10 10 PHE H H 10 8.093 8.093 8.534 -0.441 19865 49 1 2 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.487 -0.250 19865 50 1 2 . 1 1 11 11 VAL H H 11 8.218 8.218 8.489 -0.271 19865 51 1 2 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.314 -0.171 19865 52 1 2 . 1 1 12 12 ARG H H 12 8.360 8.360 8.789 -0.429 19865 53 1 2 . 1 1 13 13 GLY H H 13 8.491 8.491 7.616 0.875 19865 54 1 2 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.569 0.094 19865 55 1 2 . 1 1 14 14 ASP H H 14 8.254 8.254 8.384 -0.130 19865 56 1 2 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.915 0.015 19865 57 1 2 . 1 1 15 15 PHE H H 15 8.212 8.212 7.842 0.370 19865 58 1 2 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.592 -0.143 19865 59 1 2 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.243 0.145 19865 60 1 2 . 1 1 17 17 ILE H H 17 7.820 7.820 8.440 -0.620 19865 61 1 2 . 1 1 18 18 SER HA H 18 4.404 4.404 3.874 0.530 19865 62 1 2 . 1 1 18 18 SER H H 18 7.415 7.415 7.246 0.169 19865 63 1 2 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.851 0.591 19865 64 1 2 . 1 1 19 19 PHE H H 19 8.832 8.832 8.302 0.530 19865 65 1 2 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.388 0.547 19865 66 1 2 . 1 1 20 20 TYR H H 20 9.509 9.509 8.616 0.893 19865 67 1 3 . 1 1 2 2 GLY H H 2 9.027 9.027 7.841 1.186 19865 68 1 3 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.785 -0.130 19865 69 1 3 . 1 1 3 3 ALA H H 3 8.543 8.543 8.632 -0.089 19865 70 1 3 . 1 1 4 4 GLY H H 4 7.776 7.776 8.100 -0.324 19865 71 1 3 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.390 0.313 19865 72 1 3 . 1 1 5 5 HIS H H 5 7.364 7.364 8.337 -0.973 19865 73 1 3 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.508 0.178 19865 74 1 3 . 1 1 6 6 VAL H H 6 8.702 8.702 7.942 0.760 19865 75 1 3 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.693 -0.455 19865 76 1 3 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.234 0.113 19865 77 1 3 . 1 1 8 8 GLU H H 8 8.288 8.288 8.610 -0.322 19865 78 1 3 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.772 -0.274 19865 79 1 3 . 1 1 9 9 TYR H H 9 7.476 7.476 6.653 0.823 19865 80 1 3 . 1 1 10 10 PHE HA H 10 4.795 4.795 4.947 -0.152 19865 81 1 3 . 1 1 10 10 PHE H H 10 8.093 8.093 8.533 -0.440 19865 82 1 3 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.480 -0.243 19865 83 1 3 . 1 1 11 11 VAL H H 11 8.218 8.218 8.493 -0.275 19865 84 1 3 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.307 -0.164 19865 85 1 3 . 1 1 12 12 ARG H H 12 8.360 8.360 8.812 -0.452 19865 86 1 3 . 1 1 13 13 GLY H H 13 8.491 8.491 7.622 0.869 19865 87 1 3 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.566 0.097 19865 88 1 3 . 1 1 14 14 ASP H H 14 8.254 8.254 8.384 -0.130 19865 89 1 3 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.911 0.019 19865 90 1 3 . 1 1 15 15 PHE H H 15 8.212 8.212 7.832 0.380 19865 91 1 3 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.601 -0.152 19865 92 1 3 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.210 0.178 19865 93 1 3 . 1 1 17 17 ILE H H 17 7.820 7.820 8.490 -0.670 19865 94 1 3 . 1 1 18 18 SER HA H 18 4.404 4.404 3.873 0.531 19865 95 1 3 . 1 1 18 18 SER H H 18 7.415 7.415 7.126 0.289 19865 96 1 3 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.880 0.562 19865 97 1 3 . 1 1 19 19 PHE H H 19 8.832 8.832 8.300 0.532 19865 98 1 3 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.333 0.602 19865 99 1 3 . 1 1 20 20 TYR H H 20 9.509 9.509 8.628 0.881 19865 100 1 4 . 1 1 2 2 GLY H H 2 9.027 9.027 7.812 1.215 19865 101 1 4 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.694 -0.039 19865 102 1 4 . 1 1 3 3 ALA H H 3 8.543 8.543 8.466 0.077 19865 103 1 4 . 1 1 4 4 GLY H H 4 7.776 7.776 8.117 -0.341 19865 104 1 4 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.374 0.329 19865 105 1 4 . 1 1 5 5 HIS H H 5 7.364 7.364 8.074 -0.710 19865 106 1 4 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.438 0.248 19865 107 1 4 . 1 1 6 6 VAL H H 6 8.702 8.702 7.922 0.780 19865 108 1 4 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.695 -0.457 19865 109 1 4 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.237 0.110 19865 110 1 4 . 1 1 8 8 GLU H H 8 8.288 8.288 8.636 -0.348 19865 111 1 4 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.779 -0.281 19865 112 1 4 . 1 1 9 9 TYR H H 9 7.476 7.476 6.647 0.829 19865 113 1 4 . 1 1 10 10 PHE HA H 10 4.795 4.795 5.004 -0.209 19865 114 1 4 . 1 1 10 10 PHE H H 10 8.093 8.093 8.628 -0.535 19865 115 1 4 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.513 -0.276 19865 116 1 4 . 1 1 11 11 VAL H H 11 8.218 8.218 8.433 -0.215 19865 117 1 4 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.331 -0.188 19865 118 1 4 . 1 1 12 12 ARG H H 12 8.360 8.360 8.777 -0.417 19865 119 1 4 . 1 1 13 13 GLY H H 13 8.491 8.491 7.615 0.876 19865 120 1 4 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.566 0.097 19865 121 1 4 . 1 1 14 14 ASP H H 14 8.254 8.254 8.381 -0.127 19865 122 1 4 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.880 0.050 19865 123 1 4 . 1 1 15 15 PHE H H 15 8.212 8.212 7.917 0.295 19865 124 1 4 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.591 -0.142 19865 125 1 4 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.226 0.162 19865 126 1 4 . 1 1 17 17 ILE H H 17 7.820 7.820 8.470 -0.650 19865 127 1 4 . 1 1 18 18 SER HA H 18 4.404 4.404 4.014 0.390 19865 128 1 4 . 1 1 18 18 SER H H 18 7.415 7.415 7.086 0.329 19865 129 1 4 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.882 0.560 19865 130 1 4 . 1 1 19 19 PHE H H 19 8.832 8.832 8.283 0.549 19865 131 1 4 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.294 0.641 19865 132 1 4 . 1 1 20 20 TYR H H 20 9.509 9.509 8.543 0.966 19865 133 1 5 . 1 1 2 2 GLY H H 2 9.027 9.027 7.811 1.216 19865 134 1 5 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.776 -0.121 19865 135 1 5 . 1 1 3 3 ALA H H 3 8.543 8.543 8.412 0.131 19865 136 1 5 . 1 1 4 4 GLY H H 4 7.776 7.776 8.254 -0.478 19865 137 1 5 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.383 0.320 19865 138 1 5 . 1 1 5 5 HIS H H 5 7.364 7.364 8.297 -0.933 19865 139 1 5 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.497 0.189 19865 140 1 5 . 1 1 6 6 VAL H H 6 8.702 8.702 7.964 0.738 19865 141 1 5 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.673 -0.435 19865 142 1 5 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.219 0.128 19865 143 1 5 . 1 1 8 8 GLU H H 8 8.288 8.288 8.649 -0.361 19865 144 1 5 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.812 -0.314 19865 145 1 5 . 1 1 9 9 TYR H H 9 7.476 7.476 6.628 0.848 19865 146 1 5 . 1 1 10 10 PHE HA H 10 4.795 4.795 4.998 -0.203 19865 147 1 5 . 1 1 10 10 PHE H H 10 8.093 8.093 8.592 -0.499 19865 148 1 5 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.558 -0.321 19865 149 1 5 . 1 1 11 11 VAL H H 11 8.218 8.218 8.319 -0.101 19865 150 1 5 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.279 -0.136 19865 151 1 5 . 1 1 12 12 ARG H H 12 8.360 8.360 8.727 -0.367 19865 152 1 5 . 1 1 13 13 GLY H H 13 8.491 8.491 7.964 0.527 19865 153 1 5 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.571 0.092 19865 154 1 5 . 1 1 14 14 ASP H H 14 8.254 8.254 8.381 -0.127 19865 155 1 5 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.930 0.000 19865 156 1 5 . 1 1 15 15 PHE H H 15 8.212 8.212 7.859 0.353 19865 157 1 5 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.565 -0.116 19865 158 1 5 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.275 0.113 19865 159 1 5 . 1 1 17 17 ILE H H 17 7.820 7.820 8.381 -0.561 19865 160 1 5 . 1 1 18 18 SER HA H 18 4.404 4.404 4.076 0.328 19865 161 1 5 . 1 1 18 18 SER H H 18 7.415 7.415 7.180 0.235 19865 162 1 5 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.854 0.588 19865 163 1 5 . 1 1 19 19 PHE H H 19 8.832 8.832 8.370 0.462 19865 164 1 5 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.438 0.497 19865 165 1 5 . 1 1 20 20 TYR H H 20 9.509 9.509 8.577 0.932 19865 166 1 6 . 1 1 2 2 GLY H H 2 9.027 9.027 7.892 1.135 19865 167 1 6 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.757 -0.102 19865 168 1 6 . 1 1 3 3 ALA H H 3 8.543 8.543 8.413 0.130 19865 169 1 6 . 1 1 4 4 GLY H H 4 7.776 7.776 8.244 -0.468 19865 170 1 6 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.413 0.290 19865 171 1 6 . 1 1 5 5 HIS H H 5 7.364 7.364 8.256 -0.892 19865 172 1 6 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.472 0.214 19865 173 1 6 . 1 1 6 6 VAL H H 6 8.702 8.702 7.909 0.793 19865 174 1 6 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.723 -0.485 19865 175 1 6 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.253 0.094 19865 176 1 6 . 1 1 8 8 GLU H H 8 8.288 8.288 8.661 -0.373 19865 177 1 6 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.802 -0.304 19865 178 1 6 . 1 1 9 9 TYR H H 9 7.476 7.476 6.632 0.844 19865 179 1 6 . 1 1 10 10 PHE HA H 10 4.795 4.795 5.023 -0.228 19865 180 1 6 . 1 1 10 10 PHE H H 10 8.093 8.093 8.234 -0.141 19865 181 1 6 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.548 -0.311 19865 182 1 6 . 1 1 11 11 VAL H H 11 8.218 8.218 8.507 -0.289 19865 183 1 6 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.245 -0.102 19865 184 1 6 . 1 1 12 12 ARG H H 12 8.360 8.360 8.703 -0.343 19865 185 1 6 . 1 1 13 13 GLY H H 13 8.491 8.491 7.962 0.529 19865 186 1 6 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.581 0.082 19865 187 1 6 . 1 1 14 14 ASP H H 14 8.254 8.254 8.397 -0.143 19865 188 1 6 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.929 0.001 19865 189 1 6 . 1 1 15 15 PHE H H 15 8.212 8.212 7.883 0.329 19865 190 1 6 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.580 -0.131 19865 191 1 6 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.228 0.160 19865 192 1 6 . 1 1 17 17 ILE H H 17 7.820 7.820 8.444 -0.624 19865 193 1 6 . 1 1 18 18 SER HA H 18 4.404 4.404 3.891 0.513 19865 194 1 6 . 1 1 18 18 SER H H 18 7.415 7.415 7.243 0.172 19865 195 1 6 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.866 0.576 19865 196 1 6 . 1 1 19 19 PHE H H 19 8.832 8.832 8.347 0.485 19865 197 1 6 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.428 0.507 19865 198 1 6 . 1 1 20 20 TYR H H 20 9.509 9.509 8.539 0.970 19865 199 1 7 . 1 1 2 2 GLY H H 2 9.027 9.027 7.834 1.193 19865 200 1 7 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.766 -0.111 19865 201 1 7 . 1 1 3 3 ALA H H 3 8.543 8.543 8.593 -0.050 19865 202 1 7 . 1 1 4 4 GLY H H 4 7.776 7.776 7.875 -0.099 19865 203 1 7 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.494 0.209 19865 204 1 7 . 1 1 5 5 HIS H H 5 7.364 7.364 8.238 -0.874 19865 205 1 7 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.452 0.234 19865 206 1 7 . 1 1 6 6 VAL H H 6 8.702 8.702 7.917 0.785 19865 207 1 7 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.737 -0.499 19865 208 1 7 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.300 0.047 19865 209 1 7 . 1 1 8 8 GLU H H 8 8.288 8.288 8.501 -0.213 19865 210 1 7 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.848 -0.350 19865 211 1 7 . 1 1 9 9 TYR H H 9 7.476 7.476 6.708 0.768 19865 212 1 7 . 1 1 10 10 PHE HA H 10 4.795 4.795 5.028 -0.233 19865 213 1 7 . 1 1 10 10 PHE H H 10 8.093 8.093 8.538 -0.445 19865 214 1 7 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.559 -0.322 19865 215 1 7 . 1 1 11 11 VAL H H 11 8.218 8.218 8.330 -0.112 19865 216 1 7 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.282 -0.139 19865 217 1 7 . 1 1 12 12 ARG H H 12 8.360 8.360 8.732 -0.372 19865 218 1 7 . 1 1 13 13 GLY H H 13 8.491 8.491 7.970 0.521 19865 219 1 7 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.575 0.088 19865 220 1 7 . 1 1 14 14 ASP H H 14 8.254 8.254 8.389 -0.135 19865 221 1 7 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.943 -0.013 19865 222 1 7 . 1 1 15 15 PHE H H 15 8.212 8.212 7.870 0.342 19865 223 1 7 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.609 -0.160 19865 224 1 7 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.218 0.170 19865 225 1 7 . 1 1 17 17 ILE H H 17 7.820 7.820 8.499 -0.679 19865 226 1 7 . 1 1 18 18 SER HA H 18 4.404 4.404 3.726 0.678 19865 227 1 7 . 1 1 18 18 SER H H 18 7.415 7.415 7.226 0.189 19865 228 1 7 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.806 0.636 19865 229 1 7 . 1 1 19 19 PHE H H 19 8.832 8.832 8.259 0.573 19865 230 1 7 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.375 0.560 19865 231 1 7 . 1 1 20 20 TYR H H 20 9.509 9.509 8.585 0.924 19865 232 1 8 . 1 1 2 2 GLY H H 2 9.027 9.027 7.786 1.241 19865 233 1 8 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.717 -0.062 19865 234 1 8 . 1 1 3 3 ALA H H 3 8.543 8.543 8.381 0.162 19865 235 1 8 . 1 1 4 4 GLY H H 4 7.776 7.776 8.058 -0.282 19865 236 1 8 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.392 0.311 19865 237 1 8 . 1 1 5 5 HIS H H 5 7.364 7.364 8.151 -0.787 19865 238 1 8 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.452 0.234 19865 239 1 8 . 1 1 6 6 VAL H H 6 8.702 8.702 7.905 0.797 19865 240 1 8 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.732 -0.494 19865 241 1 8 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.245 0.102 19865 242 1 8 . 1 1 8 8 GLU H H 8 8.288 8.288 8.630 -0.342 19865 243 1 8 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.804 -0.306 19865 244 1 8 . 1 1 9 9 TYR H H 9 7.476 7.476 6.650 0.826 19865 245 1 8 . 1 1 10 10 PHE HA H 10 4.795 4.795 4.931 -0.136 19865 246 1 8 . 1 1 10 10 PHE H H 10 8.093 8.093 8.544 -0.451 19865 247 1 8 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.497 -0.260 19865 248 1 8 . 1 1 11 11 VAL H H 11 8.218 8.218 8.261 -0.043 19865 249 1 8 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.252 -0.109 19865 250 1 8 . 1 1 12 12 ARG H H 12 8.360 8.360 8.706 -0.346 19865 251 1 8 . 1 1 13 13 GLY H H 13 8.491 8.491 7.967 0.524 19865 252 1 8 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.576 0.087 19865 253 1 8 . 1 1 14 14 ASP H H 14 8.254 8.254 8.388 -0.134 19865 254 1 8 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.939 -0.009 19865 255 1 8 . 1 1 15 15 PHE H H 15 8.212 8.212 7.882 0.330 19865 256 1 8 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.625 -0.176 19865 257 1 8 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.257 0.131 19865 258 1 8 . 1 1 17 17 ILE H H 17 7.820 7.820 8.352 -0.532 19865 259 1 8 . 1 1 18 18 SER HA H 18 4.404 4.404 3.999 0.405 19865 260 1 8 . 1 1 18 18 SER H H 18 7.415 7.415 7.069 0.346 19865 261 1 8 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.857 0.585 19865 262 1 8 . 1 1 19 19 PHE H H 19 8.832 8.832 8.288 0.544 19865 263 1 8 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.312 0.623 19865 264 1 8 . 1 1 20 20 TYR H H 20 9.509 9.509 8.610 0.899 19865 265 1 9 . 1 1 2 2 GLY H H 2 9.027 9.027 7.851 1.176 19865 266 1 9 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.704 -0.049 19865 267 1 9 . 1 1 3 3 ALA H H 3 8.543 8.543 8.489 0.054 19865 268 1 9 . 1 1 4 4 GLY H H 4 7.776 7.776 8.259 -0.483 19865 269 1 9 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.423 0.280 19865 270 1 9 . 1 1 5 5 HIS H H 5 7.364 7.364 8.281 -0.917 19865 271 1 9 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.510 0.176 19865 272 1 9 . 1 1 6 6 VAL H H 6 8.702 8.702 7.919 0.783 19865 273 1 9 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.655 -0.417 19865 274 1 9 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.249 0.098 19865 275 1 9 . 1 1 8 8 GLU H H 8 8.288 8.288 8.655 -0.367 19865 276 1 9 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.795 -0.297 19865 277 1 9 . 1 1 9 9 TYR H H 9 7.476 7.476 6.628 0.848 19865 278 1 9 . 1 1 10 10 PHE HA H 10 4.795 4.795 4.951 -0.156 19865 279 1 9 . 1 1 10 10 PHE H H 10 8.093 8.093 8.500 -0.407 19865 280 1 9 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.533 -0.296 19865 281 1 9 . 1 1 11 11 VAL H H 11 8.218 8.218 8.399 -0.181 19865 282 1 9 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.248 -0.105 19865 283 1 9 . 1 1 12 12 ARG H H 12 8.360 8.360 8.707 -0.348 19865 284 1 9 . 1 1 13 13 GLY H H 13 8.491 8.491 7.968 0.523 19865 285 1 9 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.569 0.094 19865 286 1 9 . 1 1 14 14 ASP H H 14 8.254 8.254 8.383 -0.129 19865 287 1 9 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.933 -0.003 19865 288 1 9 . 1 1 15 15 PHE H H 15 8.212 8.212 7.861 0.351 19865 289 1 9 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.603 -0.154 19865 290 1 9 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.305 0.083 19865 291 1 9 . 1 1 17 17 ILE H H 17 7.820 7.820 8.444 -0.624 19865 292 1 9 . 1 1 18 18 SER HA H 18 4.404 4.404 3.979 0.425 19865 293 1 9 . 1 1 18 18 SER H H 18 7.415 7.415 7.141 0.274 19865 294 1 9 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.858 0.584 19865 295 1 9 . 1 1 19 19 PHE H H 19 8.832 8.832 8.388 0.444 19865 296 1 9 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.412 0.523 19865 297 1 9 . 1 1 20 20 TYR H H 20 9.509 9.509 8.626 0.883 19865 298 1 10 . 1 1 2 2 GLY H H 2 9.027 9.027 7.781 1.246 19865 299 1 10 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.748 -0.093 19865 300 1 10 . 1 1 3 3 ALA H H 3 8.543 8.543 8.376 0.167 19865 301 1 10 . 1 1 4 4 GLY H H 4 7.776 7.776 8.137 -0.361 19865 302 1 10 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.417 0.286 19865 303 1 10 . 1 1 5 5 HIS H H 5 7.364 7.364 8.099 -0.735 19865 304 1 10 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.491 0.195 19865 305 1 10 . 1 1 6 6 VAL H H 6 8.702 8.702 7.918 0.784 19865 306 1 10 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.628 -0.390 19865 307 1 10 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.231 0.116 19865 308 1 10 . 1 1 8 8 GLU H H 8 8.288 8.288 8.650 -0.362 19865 309 1 10 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.799 -0.301 19865 310 1 10 . 1 1 9 9 TYR H H 9 7.476 7.476 6.652 0.824 19865 311 1 10 . 1 1 10 10 PHE HA H 10 4.795 4.795 4.928 -0.133 19865 312 1 10 . 1 1 10 10 PHE H H 10 8.093 8.093 8.547 -0.454 19865 313 1 10 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.503 -0.266 19865 314 1 10 . 1 1 11 11 VAL H H 11 8.218 8.218 8.260 -0.042 19865 315 1 10 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.256 -0.113 19865 316 1 10 . 1 1 12 12 ARG H H 12 8.360 8.360 8.708 -0.348 19865 317 1 10 . 1 1 13 13 GLY H H 13 8.491 8.491 7.971 0.520 19865 318 1 10 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.574 0.089 19865 319 1 10 . 1 1 14 14 ASP H H 14 8.254 8.254 8.388 -0.134 19865 320 1 10 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.940 -0.010 19865 321 1 10 . 1 1 15 15 PHE H H 15 8.212 8.212 7.865 0.347 19865 322 1 10 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.609 -0.160 19865 323 1 10 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.204 0.184 19865 324 1 10 . 1 1 17 17 ILE H H 17 7.820 7.820 8.302 -0.482 19865 325 1 10 . 1 1 18 18 SER HA H 18 4.404 4.404 4.044 0.360 19865 326 1 10 . 1 1 18 18 SER H H 18 7.415 7.415 7.110 0.305 19865 327 1 10 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.869 0.573 19865 328 1 10 . 1 1 19 19 PHE H H 19 8.832 8.832 8.389 0.443 19865 329 1 10 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.414 0.521 19865 330 1 10 . 1 1 20 20 TYR H H 20 9.509 9.509 8.492 1.017 19865 331 1 11 . 1 1 2 2 GLY H H 2 9.027 9.027 7.895 1.132 19865 332 1 11 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.715 -0.060 19865 333 1 11 . 1 1 3 3 ALA H H 3 8.543 8.543 8.396 0.147 19865 334 1 11 . 1 1 4 4 GLY H H 4 7.776 7.776 8.179 -0.403 19865 335 1 11 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.432 0.271 19865 336 1 11 . 1 1 5 5 HIS H H 5 7.364 7.364 8.208 -0.844 19865 337 1 11 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.507 0.179 19865 338 1 11 . 1 1 6 6 VAL H H 6 8.702 8.702 7.917 0.785 19865 339 1 11 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.628 -0.390 19865 340 1 11 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.237 0.110 19865 341 1 11 . 1 1 8 8 GLU H H 8 8.288 8.288 8.549 -0.261 19865 342 1 11 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.756 -0.258 19865 343 1 11 . 1 1 9 9 TYR H H 9 7.476 7.476 6.617 0.859 19865 344 1 11 . 1 1 10 10 PHE HA H 10 4.795 4.795 5.008 -0.213 19865 345 1 11 . 1 1 10 10 PHE H H 10 8.093 8.093 8.621 -0.528 19865 346 1 11 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.510 -0.273 19865 347 1 11 . 1 1 11 11 VAL H H 11 8.218 8.218 8.445 -0.227 19865 348 1 11 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.324 -0.181 19865 349 1 11 . 1 1 12 12 ARG H H 12 8.360 8.360 8.792 -0.432 19865 350 1 11 . 1 1 13 13 GLY H H 13 8.491 8.491 7.616 0.875 19865 351 1 11 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.566 0.097 19865 352 1 11 . 1 1 14 14 ASP H H 14 8.254 8.254 8.382 -0.128 19865 353 1 11 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.883 0.047 19865 354 1 11 . 1 1 15 15 PHE H H 15 8.212 8.212 7.911 0.301 19865 355 1 11 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.620 -0.171 19865 356 1 11 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.228 0.160 19865 357 1 11 . 1 1 17 17 ILE H H 17 7.820 7.820 8.225 -0.405 19865 358 1 11 . 1 1 18 18 SER HA H 18 4.404 4.404 4.016 0.388 19865 359 1 11 . 1 1 18 18 SER H H 18 7.415 7.415 7.084 0.331 19865 360 1 11 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.953 0.489 19865 361 1 11 . 1 1 19 19 PHE H H 19 8.832 8.832 8.464 0.368 19865 362 1 11 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.384 0.551 19865 363 1 11 . 1 1 20 20 TYR H H 20 9.509 9.509 8.550 0.959 19865 364 1 12 . 1 1 2 2 GLY H H 2 9.027 9.027 7.867 1.160 19865 365 1 12 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.718 -0.063 19865 366 1 12 . 1 1 3 3 ALA H H 3 8.543 8.543 8.395 0.148 19865 367 1 12 . 1 1 4 4 GLY H H 4 7.776 7.776 7.875 -0.099 19865 368 1 12 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.441 0.262 19865 369 1 12 . 1 1 5 5 HIS H H 5 7.364 7.364 8.199 -0.835 19865 370 1 12 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.441 0.245 19865 371 1 12 . 1 1 6 6 VAL H H 6 8.702 8.702 7.913 0.789 19865 372 1 12 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.739 -0.501 19865 373 1 12 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.265 0.082 19865 374 1 12 . 1 1 8 8 GLU H H 8 8.288 8.288 8.576 -0.288 19865 375 1 12 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.797 -0.299 19865 376 1 12 . 1 1 9 9 TYR H H 9 7.476 7.476 6.662 0.814 19865 377 1 12 . 1 1 10 10 PHE HA H 10 4.795 4.795 5.049 -0.254 19865 378 1 12 . 1 1 10 10 PHE H H 10 8.093 8.093 8.327 -0.234 19865 379 1 12 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.590 -0.353 19865 380 1 12 . 1 1 11 11 VAL H H 11 8.218 8.218 8.463 -0.245 19865 381 1 12 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.279 -0.136 19865 382 1 12 . 1 1 12 12 ARG H H 12 8.360 8.360 8.722 -0.362 19865 383 1 12 . 1 1 13 13 GLY H H 13 8.491 8.491 7.970 0.521 19865 384 1 12 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.571 0.092 19865 385 1 12 . 1 1 14 14 ASP H H 14 8.254 8.254 8.385 -0.131 19865 386 1 12 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.944 -0.014 19865 387 1 12 . 1 1 15 15 PHE H H 15 8.212 8.212 7.862 0.350 19865 388 1 12 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.620 -0.171 19865 389 1 12 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.149 0.239 19865 390 1 12 . 1 1 17 17 ILE H H 17 7.820 7.820 8.392 -0.572 19865 391 1 12 . 1 1 18 18 SER HA H 18 4.404 4.404 3.857 0.547 19865 392 1 12 . 1 1 18 18 SER H H 18 7.415 7.415 7.069 0.346 19865 393 1 12 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.959 0.483 19865 394 1 12 . 1 1 19 19 PHE H H 19 8.832 8.832 8.489 0.344 19865 395 1 12 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.363 0.572 19865 396 1 12 . 1 1 20 20 TYR H H 20 9.509 9.509 8.573 0.936 19865 397 1 13 . 1 1 2 2 GLY H H 2 9.027 9.027 7.922 1.105 19865 398 1 13 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.734 -0.079 19865 399 1 13 . 1 1 3 3 ALA H H 3 8.543 8.543 8.431 0.112 19865 400 1 13 . 1 1 4 4 GLY H H 4 7.776 7.776 7.991 -0.215 19865 401 1 13 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.480 0.223 19865 402 1 13 . 1 1 5 5 HIS H H 5 7.364 7.364 8.384 -1.020 19865 403 1 13 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.518 0.168 19865 404 1 13 . 1 1 6 6 VAL H H 6 8.702 8.702 7.939 0.763 19865 405 1 13 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.703 -0.465 19865 406 1 13 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.276 0.071 19865 407 1 13 . 1 1 8 8 GLU H H 8 8.288 8.288 8.595 -0.307 19865 408 1 13 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.783 -0.285 19865 409 1 13 . 1 1 9 9 TYR H H 9 7.476 7.476 6.661 0.815 19865 410 1 13 . 1 1 10 10 PHE HA H 10 4.795 4.795 5.005 -0.210 19865 411 1 13 . 1 1 10 10 PHE H H 10 8.093 8.093 8.598 -0.505 19865 412 1 13 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.504 -0.267 19865 413 1 13 . 1 1 11 11 VAL H H 11 8.218 8.218 8.400 -0.182 19865 414 1 13 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.366 -0.223 19865 415 1 13 . 1 1 12 12 ARG H H 12 8.360 8.360 8.676 -0.316 19865 416 1 13 . 1 1 13 13 GLY H H 13 8.491 8.491 7.966 0.525 19865 417 1 13 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.569 0.094 19865 418 1 13 . 1 1 14 14 ASP H H 14 8.254 8.254 8.383 -0.129 19865 419 1 13 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.898 0.032 19865 420 1 13 . 1 1 15 15 PHE H H 15 8.212 8.212 7.935 0.277 19865 421 1 13 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.578 -0.129 19865 422 1 13 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.149 0.239 19865 423 1 13 . 1 1 17 17 ILE H H 17 7.820 7.820 8.524 -0.704 19865 424 1 13 . 1 1 18 18 SER HA H 18 4.404 4.404 3.809 0.595 19865 425 1 13 . 1 1 18 18 SER H H 18 7.415 7.415 7.065 0.350 19865 426 1 13 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.949 0.493 19865 427 1 13 . 1 1 19 19 PHE H H 19 8.832 8.832 8.466 0.366 19865 428 1 13 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.384 0.551 19865 429 1 13 . 1 1 20 20 TYR H H 20 9.509 9.509 8.600 0.909 19865 430 1 14 . 1 1 2 2 GLY H H 2 9.027 9.027 7.830 1.197 19865 431 1 14 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.718 -0.063 19865 432 1 14 . 1 1 3 3 ALA H H 3 8.543 8.543 8.406 0.137 19865 433 1 14 . 1 1 4 4 GLY H H 4 7.776 7.776 8.062 -0.286 19865 434 1 14 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.395 0.308 19865 435 1 14 . 1 1 5 5 HIS H H 5 7.364 7.364 8.189 -0.825 19865 436 1 14 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.504 0.182 19865 437 1 14 . 1 1 6 6 VAL H H 6 8.702 8.702 7.990 0.712 19865 438 1 14 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.755 -0.517 19865 439 1 14 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.249 0.098 19865 440 1 14 . 1 1 8 8 GLU H H 8 8.288 8.288 8.593 -0.305 19865 441 1 14 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.782 -0.284 19865 442 1 14 . 1 1 9 9 TYR H H 9 7.476 7.476 6.624 0.852 19865 443 1 14 . 1 1 10 10 PHE HA H 10 4.795 4.795 5.008 -0.213 19865 444 1 14 . 1 1 10 10 PHE H H 10 8.093 8.093 8.590 -0.497 19865 445 1 14 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.497 -0.260 19865 446 1 14 . 1 1 11 11 VAL H H 11 8.218 8.218 8.398 -0.180 19865 447 1 14 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.369 -0.226 19865 448 1 14 . 1 1 12 12 ARG H H 12 8.360 8.360 8.671 -0.311 19865 449 1 14 . 1 1 13 13 GLY H H 13 8.491 8.491 7.967 0.524 19865 450 1 14 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.570 0.093 19865 451 1 14 . 1 1 14 14 ASP H H 14 8.254 8.254 8.385 -0.131 19865 452 1 14 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.898 0.032 19865 453 1 14 . 1 1 15 15 PHE H H 15 8.212 8.212 7.940 0.272 19865 454 1 14 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.608 -0.159 19865 455 1 14 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.319 0.069 19865 456 1 14 . 1 1 17 17 ILE H H 17 7.820 7.820 8.449 -0.629 19865 457 1 14 . 1 1 18 18 SER HA H 18 4.404 4.404 3.944 0.460 19865 458 1 14 . 1 1 18 18 SER H H 18 7.415 7.415 7.088 0.327 19865 459 1 14 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.945 0.497 19865 460 1 14 . 1 1 19 19 PHE H H 19 8.832 8.832 8.533 0.299 19865 461 1 14 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.377 0.558 19865 462 1 14 . 1 1 20 20 TYR H H 20 9.509 9.509 8.614 0.895 19865 463 1 15 . 1 1 2 2 GLY H H 2 9.027 9.027 7.798 1.229 19865 464 1 15 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.713 -0.058 19865 465 1 15 . 1 1 3 3 ALA H H 3 8.543 8.543 8.477 0.066 19865 466 1 15 . 1 1 4 4 GLY H H 4 7.776 7.776 7.998 -0.222 19865 467 1 15 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.393 0.310 19865 468 1 15 . 1 1 5 5 HIS H H 5 7.364 7.364 8.107 -0.743 19865 469 1 15 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.506 0.180 19865 470 1 15 . 1 1 6 6 VAL H H 6 8.702 8.702 8.026 0.676 19865 471 1 15 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.747 -0.509 19865 472 1 15 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.252 0.095 19865 473 1 15 . 1 1 8 8 GLU H H 8 8.288 8.288 8.588 -0.300 19865 474 1 15 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.801 -0.303 19865 475 1 15 . 1 1 9 9 TYR H H 9 7.476 7.476 6.610 0.866 19865 476 1 15 . 1 1 10 10 PHE HA H 10 4.795 4.795 5.006 -0.211 19865 477 1 15 . 1 1 10 10 PHE H H 10 8.093 8.093 8.588 -0.495 19865 478 1 15 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.549 -0.312 19865 479 1 15 . 1 1 11 11 VAL H H 11 8.218 8.218 8.327 -0.109 19865 480 1 15 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.275 -0.132 19865 481 1 15 . 1 1 12 12 ARG H H 12 8.360 8.360 8.726 -0.366 19865 482 1 15 . 1 1 13 13 GLY H H 13 8.491 8.491 7.965 0.526 19865 483 1 15 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.572 0.091 19865 484 1 15 . 1 1 14 14 ASP H H 14 8.254 8.254 8.387 -0.133 19865 485 1 15 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.941 -0.011 19865 486 1 15 . 1 1 15 15 PHE H H 15 8.212 8.212 7.866 0.346 19865 487 1 15 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.624 -0.175 19865 488 1 15 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.286 0.102 19865 489 1 15 . 1 1 17 17 ILE H H 17 7.820 7.820 8.343 -0.523 19865 490 1 15 . 1 1 18 18 SER HA H 18 4.404 4.404 4.117 0.287 19865 491 1 15 . 1 1 18 18 SER H H 18 7.415 7.415 7.105 0.310 19865 492 1 15 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.888 0.554 19865 493 1 15 . 1 1 19 19 PHE H H 19 8.832 8.832 8.389 0.443 19865 494 1 15 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.306 0.629 19865 495 1 15 . 1 1 20 20 TYR H H 20 9.509 9.509 8.664 0.845 19865 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 19865 2 1 1 "Average Difference" HA 22 0.311 0.011 0.318 19865 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19865 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19865 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19865 6 1 1 "Average Difference" HN 17 0.616 -0.096 0.627 19865 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19865 8 1 2 "Average Difference" HA 22 0.296 -0.038 0.300 19865 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19865 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19865 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19865 12 1 2 "Average Difference" HN 17 0.610 -0.137 0.613 19865 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19865 14 1 3 "Average Difference" HA 22 0.310 -0.012 0.317 19865 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19865 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19865 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19865 18 1 3 "Average Difference" HN 17 0.633 -0.120 0.640 19865 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19865 20 1 4 "Average Difference" HA 22 0.292 -0.032 0.297 19865 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19865 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19865 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19865 24 1 4 "Average Difference" HN 17 0.626 -0.151 0.626 19865 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19865 26 1 5 "Average Difference" HA 22 0.300 0.001 0.307 19865 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19865 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19865 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19865 30 1 5 "Average Difference" HN 17 0.606 -0.118 0.613 19865 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19865 32 1 6 "Average Difference" HA 22 0.309 -0.006 0.316 19865 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19865 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19865 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19865 36 1 6 "Average Difference" HN 17 0.595 -0.124 0.600 19865 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19865 38 1 7 "Average Difference" HA 22 0.313 -0.016 0.320 19865 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19865 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19865 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19865 42 1 7 "Average Difference" HN 17 0.588 -0.136 0.590 19865 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19865 44 1 8 "Average Difference" HA 22 0.296 -0.026 0.302 19865 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19865 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19865 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19865 48 1 8 "Average Difference" HN 17 0.591 -0.162 0.586 19865 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19865 50 1 9 "Average Difference" HA 22 0.293 -0.007 0.300 19865 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19865 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19865 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19865 54 1 9 "Average Difference" HN 17 0.599 -0.111 0.607 19865 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19865 56 1 10 "Average Difference" HA 22 0.269 -0.031 0.274 19865 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19865 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19865 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19865 60 1 10 "Average Difference" HN 17 0.593 -0.161 0.588 19865 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19865 62 1 11 "Average Difference" HA 22 0.274 -0.018 0.280 19865 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19865 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19865 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19865 66 1 11 "Average Difference" HN 17 0.610 -0.149 0.609 19865 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19865 68 1 12 "Average Difference" HA 22 0.299 -0.025 0.305 19865 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19865 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19865 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19865 72 1 12 "Average Difference" HN 17 0.571 -0.155 0.566 19865 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19865 74 1 13 "Average Difference" HA 22 0.313 -0.004 0.321 19865 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19865 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19865 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19865 78 1 13 "Average Difference" HN 17 0.594 -0.108 0.602 19865 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19865 80 1 14 "Average Difference" HA 22 0.289 -0.010 0.296 19865 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19865 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19865 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19865 84 1 14 "Average Difference" HN 17 0.578 -0.121 0.582 19865 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19865 86 1 15 "Average Difference" HA 22 0.286 -0.009 0.293 19865 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19865 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19865 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19865 90 1 15 "Average Difference" HN 17 0.569 -0.142 0.568 19865 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 19865 _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 GLY H H 2 9.027 9.027 7.859 1.168 19865 2 1 . 1 1 3 3 ALA HA H 3 4.655 4.655 4.737 -0.082 19865 3 1 . 1 1 3 3 ALA H H 3 8.543 8.543 8.465 0.078 19865 4 1 . 1 1 4 4 GLY H H 4 7.776 7.776 8.101 -0.325 19865 5 1 . 1 1 5 5 HIS HA H 5 4.703 4.703 4.412 0.291 19865 6 1 . 1 1 5 5 HIS H H 5 7.364 7.364 8.217 -0.853 19865 7 1 . 1 1 6 6 VAL HA H 6 4.686 4.686 4.483 0.203 19865 8 1 . 1 1 6 6 VAL H H 6 8.702 8.702 7.935 0.767 19865 9 1 . 1 1 7 7 PRO HA H 7 4.238 4.238 4.701 -0.463 19865 10 1 . 1 1 8 8 GLU HA H 8 4.347 4.347 4.249 0.098 19865 11 1 . 1 1 8 8 GLU H H 8 8.288 8.288 8.610 -0.322 19865 12 1 . 1 1 9 9 TYR HA H 9 4.498 4.498 4.792 -0.294 19865 13 1 . 1 1 9 9 TYR H H 9 7.476 7.476 6.638 0.838 19865 14 1 . 1 1 10 10 PHE HA H 10 4.795 4.795 4.989 -0.194 19865 15 1 . 1 1 10 10 PHE H H 10 8.093 8.093 8.533 -0.440 19865 16 1 . 1 1 11 11 VAL HA H 11 4.237 4.237 4.524 -0.287 19865 17 1 . 1 1 11 11 VAL H H 11 8.218 8.218 8.397 -0.179 19865 18 1 . 1 1 12 12 ARG HA H 12 4.143 4.143 4.297 -0.154 19865 19 1 . 1 1 12 12 ARG H H 12 8.360 8.360 8.735 -0.375 19865 20 1 . 1 1 13 13 GLY H H 13 8.491 8.491 7.851 0.640 19865 21 1 . 1 1 14 14 ASP HA H 14 4.663 4.663 4.571 0.092 19865 22 1 . 1 1 14 14 ASP H H 14 8.254 8.254 8.386 -0.132 19865 23 1 . 1 1 15 15 PHE HA H 15 4.930 4.930 4.920 0.010 19865 24 1 . 1 1 15 15 PHE H H 15 8.212 8.212 7.878 0.334 19865 25 1 . 1 1 16 16 PRO HA H 16 4.449 4.449 4.603 -0.154 19865 26 1 . 1 1 17 17 ILE HA H 17 4.388 4.388 4.239 0.149 19865 27 1 . 1 1 17 17 ILE H H 17 7.820 7.820 8.414 -0.594 19865 28 1 . 1 1 18 18 SER HA H 18 4.404 4.404 3.940 0.464 19865 29 1 . 1 1 18 18 SER H H 18 7.415 7.415 7.137 0.278 19865 30 1 . 1 1 19 19 PHE HA H 19 5.442 5.442 4.885 0.557 19865 31 1 . 1 1 19 19 PHE H H 19 8.832 8.832 8.380 0.453 19865 32 1 . 1 1 20 20 TYR HA H 20 4.935 4.935 4.375 0.560 19865 33 1 . 1 1 20 20 TYR H H 20 9.509 9.509 8.586 0.923 19865 stop_ save_