data_18999 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18999 _Entry.PDB_ID 2M4D 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 18999 _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 ILE HA H 2 4.161 4.161 3.870 0.291 18999 2 1 1 . 1 1 2 2 ILE H H 2 9.119 9.119 8.134 0.985 18999 3 1 1 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.124 0.872 18999 4 1 1 . 1 1 3 3 ALA H H 3 8.456 8.456 8.172 0.284 18999 5 1 1 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.225 -0.284 18999 6 1 1 . 1 1 4 4 HIS H H 4 8.397 8.397 7.980 0.417 18999 7 1 1 . 1 1 5 5 TYR HA H 5 4.819 4.819 3.957 0.862 18999 8 1 1 . 1 1 5 5 TYR H H 5 7.986 7.986 8.464 -0.478 18999 9 1 1 . 1 1 6 6 GLY H H 6 8.644 8.644 7.496 1.148 18999 10 1 1 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.735 -0.476 18999 11 1 1 . 1 1 7 7 LYS H H 7 8.343 8.343 8.374 -0.031 18999 12 1 1 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.590 0.259 18999 13 1 1 . 1 1 8 8 CYS H H 8 8.496 8.496 8.584 -0.088 18999 14 1 1 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.388 0.634 18999 15 1 1 . 1 1 9 9 ASP H H 9 8.434 8.434 7.617 0.817 18999 16 1 1 . 1 1 10 10 GLY H H 10 8.437 8.437 8.697 -0.260 18999 17 1 1 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.658 0.474 18999 18 1 1 . 1 1 11 11 ILE H H 11 8.348 8.348 8.036 0.312 18999 19 1 1 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.263 0.392 18999 20 1 1 . 1 1 12 12 ILE H H 12 8.123 8.123 7.810 0.313 18999 21 1 1 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.790 -1.076 18999 22 1 1 . 1 1 13 13 ASN H H 13 9.607 9.607 8.003 1.604 18999 23 1 1 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.651 -0.117 18999 24 1 1 . 1 1 14 14 GLN H H 14 8.644 8.644 8.553 0.091 18999 25 1 1 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.417 0.460 18999 26 1 1 . 1 1 15 15 CYS H H 15 8.744 8.744 8.495 0.249 18999 27 1 1 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.172 0.449 18999 28 1 1 . 1 1 16 16 CYS H H 16 10.077 10.077 8.556 1.521 18999 29 1 1 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.845 0.689 18999 30 1 1 . 1 1 17 17 ASP H H 17 8.683 8.683 7.958 0.725 18999 31 1 1 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.500 0.240 18999 32 1 1 . 1 1 19 19 TRP H H 19 8.781 8.781 7.710 1.071 18999 33 1 1 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.940 -0.383 18999 34 1 1 . 1 1 20 20 LEU H H 20 8.713 8.713 7.876 0.837 18999 35 1 1 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.175 -1.078 18999 36 1 1 . 1 1 21 21 CYS H H 21 8.047 8.047 8.923 -0.876 18999 37 1 1 . 1 1 22 22 THR HA H 22 4.434 4.434 4.201 0.233 18999 38 1 1 . 1 1 22 22 THR H H 22 9.382 9.382 8.403 0.979 18999 39 1 1 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.692 0.450 18999 40 1 1 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.436 -0.460 18999 41 1 1 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.296 1.068 18999 42 1 1 . 1 1 25 25 ILE H H 25 7.997 7.997 8.091 -0.094 18999 43 1 1 . 1 1 26 26 ILE HA H 26 4.389 4.389 4.242 0.147 18999 44 1 1 . 1 1 26 26 ILE H H 26 7.824 7.824 7.791 0.033 18999 45 1 1 . 1 1 27 27 GLY H H 27 7.701 7.701 8.370 -0.669 18999 46 1 1 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.951 0.534 18999 47 1 1 . 1 1 28 28 PHE H H 28 8.221 8.221 7.873 0.348 18999 48 1 1 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.576 0.269 18999 49 1 1 . 1 1 29 29 CYS H H 29 8.885 8.885 8.356 0.529 18999 50 1 2 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.864 0.297 18999 51 1 2 . 1 1 2 2 ILE H H 2 9.119 9.119 8.077 1.042 18999 52 1 2 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.197 0.799 18999 53 1 2 . 1 1 3 3 ALA H H 3 8.456 8.456 8.182 0.274 18999 54 1 2 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.287 -0.346 18999 55 1 2 . 1 1 4 4 HIS H H 4 8.397 8.397 8.205 0.192 18999 56 1 2 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.343 0.476 18999 57 1 2 . 1 1 5 5 TYR H H 5 7.986 7.986 8.642 -0.656 18999 58 1 2 . 1 1 6 6 GLY H H 6 8.644 8.644 7.701 0.943 18999 59 1 2 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.328 -0.069 18999 60 1 2 . 1 1 7 7 LYS H H 7 8.343 8.343 8.397 -0.054 18999 61 1 2 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.558 0.291 18999 62 1 2 . 1 1 8 8 CYS H H 8 8.496 8.496 8.918 -0.422 18999 63 1 2 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.396 0.626 18999 64 1 2 . 1 1 9 9 ASP H H 9 8.434 8.434 7.511 0.923 18999 65 1 2 . 1 1 10 10 GLY H H 10 8.437 8.437 8.491 -0.054 18999 66 1 2 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.650 0.482 18999 67 1 2 . 1 1 11 11 ILE H H 11 8.348 8.348 8.186 0.162 18999 68 1 2 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.259 0.396 18999 69 1 2 . 1 1 12 12 ILE H H 12 8.123 8.123 7.816 0.307 18999 70 1 2 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.781 -1.067 18999 71 1 2 . 1 1 13 13 ASN H H 13 9.607 9.607 7.957 1.649 18999 72 1 2 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.657 -0.123 18999 73 1 2 . 1 1 14 14 GLN H H 14 8.644 8.644 8.557 0.087 18999 74 1 2 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.397 0.480 18999 75 1 2 . 1 1 15 15 CYS H H 15 8.744 8.744 8.537 0.207 18999 76 1 2 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.219 0.402 18999 77 1 2 . 1 1 16 16 CYS H H 16 10.077 10.077 8.722 1.355 18999 78 1 2 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.812 0.722 18999 79 1 2 . 1 1 17 17 ASP H H 17 8.683 8.683 7.597 1.086 18999 80 1 2 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.495 0.245 18999 81 1 2 . 1 1 19 19 TRP H H 19 8.781 8.781 7.949 0.832 18999 82 1 2 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.693 -0.136 18999 83 1 2 . 1 1 20 20 LEU H H 20 8.713 8.713 7.807 0.906 18999 84 1 2 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.157 -1.060 18999 85 1 2 . 1 1 21 21 CYS H H 21 8.047 8.047 8.918 -0.871 18999 86 1 2 . 1 1 22 22 THR HA H 22 4.434 4.434 4.320 0.114 18999 87 1 2 . 1 1 22 22 THR H H 22 9.382 9.382 8.483 0.899 18999 88 1 2 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.663 0.479 18999 89 1 2 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.435 -0.459 18999 90 1 2 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.418 0.946 18999 91 1 2 . 1 1 25 25 ILE H H 25 7.997 7.997 7.911 0.086 18999 92 1 2 . 1 1 26 26 ILE HA H 26 4.389 4.389 4.033 0.356 18999 93 1 2 . 1 1 26 26 ILE H H 26 7.824 7.824 7.612 0.212 18999 94 1 2 . 1 1 27 27 GLY H H 27 7.701 7.701 8.281 -0.580 18999 95 1 2 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.776 0.709 18999 96 1 2 . 1 1 28 28 PHE H H 28 8.221 8.221 7.681 0.540 18999 97 1 2 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.711 0.134 18999 98 1 2 . 1 1 29 29 CYS H H 29 8.885 8.885 8.679 0.206 18999 99 1 3 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.910 0.251 18999 100 1 3 . 1 1 2 2 ILE H H 2 9.119 9.119 8.130 0.989 18999 101 1 3 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.227 0.769 18999 102 1 3 . 1 1 3 3 ALA H H 3 8.456 8.456 8.225 0.231 18999 103 1 3 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.281 -0.340 18999 104 1 3 . 1 1 4 4 HIS H H 4 8.397 8.397 8.150 0.247 18999 105 1 3 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.273 0.546 18999 106 1 3 . 1 1 5 5 TYR H H 5 7.986 7.986 8.593 -0.607 18999 107 1 3 . 1 1 6 6 GLY H H 6 8.644 8.644 7.675 0.969 18999 108 1 3 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.310 -0.051 18999 109 1 3 . 1 1 7 7 LYS H H 7 8.343 8.343 8.342 0.001 18999 110 1 3 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.542 0.307 18999 111 1 3 . 1 1 8 8 CYS H H 8 8.496 8.496 8.864 -0.368 18999 112 1 3 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.380 0.642 18999 113 1 3 . 1 1 9 9 ASP H H 9 8.434 8.434 7.515 0.919 18999 114 1 3 . 1 1 10 10 GLY H H 10 8.437 8.437 8.718 -0.281 18999 115 1 3 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.702 0.430 18999 116 1 3 . 1 1 11 11 ILE H H 11 8.348 8.348 7.947 0.401 18999 117 1 3 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.192 0.463 18999 118 1 3 . 1 1 12 12 ILE H H 12 8.123 8.123 7.784 0.339 18999 119 1 3 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.803 -1.089 18999 120 1 3 . 1 1 13 13 ASN H H 13 9.607 9.607 7.997 1.610 18999 121 1 3 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.664 -0.130 18999 122 1 3 . 1 1 14 14 GLN H H 14 8.644 8.644 8.578 0.066 18999 123 1 3 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.430 0.447 18999 124 1 3 . 1 1 15 15 CYS H H 15 8.744 8.744 8.554 0.190 18999 125 1 3 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.281 0.340 18999 126 1 3 . 1 1 16 16 CYS H H 16 10.077 10.077 8.850 1.227 18999 127 1 3 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.841 0.693 18999 128 1 3 . 1 1 17 17 ASP H H 17 8.683 8.683 7.637 1.046 18999 129 1 3 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.470 0.270 18999 130 1 3 . 1 1 19 19 TRP H H 19 8.781 8.781 7.623 1.158 18999 131 1 3 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.740 -0.183 18999 132 1 3 . 1 1 20 20 LEU H H 20 8.713 8.713 8.245 0.468 18999 133 1 3 . 1 1 21 21 CYS HA H 21 4.097 4.097 4.980 -0.883 18999 134 1 3 . 1 1 21 21 CYS H H 21 8.047 8.047 8.984 -0.937 18999 135 1 3 . 1 1 22 22 THR HA H 22 4.434 4.434 4.297 0.137 18999 136 1 3 . 1 1 22 22 THR H H 22 9.382 9.382 8.469 0.913 18999 137 1 3 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.640 0.502 18999 138 1 3 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.381 -0.405 18999 139 1 3 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.239 1.125 18999 140 1 3 . 1 1 25 25 ILE H H 25 7.997 7.997 7.539 0.458 18999 141 1 3 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.893 0.496 18999 142 1 3 . 1 1 26 26 ILE H H 26 7.824 7.824 7.750 0.074 18999 143 1 3 . 1 1 27 27 GLY H H 27 7.701 7.701 8.114 -0.413 18999 144 1 3 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.721 0.764 18999 145 1 3 . 1 1 28 28 PHE H H 28 8.221 8.221 7.614 0.607 18999 146 1 3 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.597 0.248 18999 147 1 3 . 1 1 29 29 CYS H H 29 8.885 8.885 8.568 0.317 18999 148 1 4 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.742 0.419 18999 149 1 4 . 1 1 2 2 ILE H H 2 9.119 9.119 8.131 0.988 18999 150 1 4 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.180 0.816 18999 151 1 4 . 1 1 3 3 ALA H H 3 8.456 8.456 8.193 0.263 18999 152 1 4 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.283 -0.342 18999 153 1 4 . 1 1 4 4 HIS H H 4 8.397 8.397 8.473 -0.076 18999 154 1 4 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.189 0.630 18999 155 1 4 . 1 1 5 5 TYR H H 5 7.986 7.986 8.281 -0.295 18999 156 1 4 . 1 1 6 6 GLY H H 6 8.644 8.644 7.734 0.910 18999 157 1 4 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.606 -0.347 18999 158 1 4 . 1 1 7 7 LYS H H 7 8.343 8.343 8.281 0.062 18999 159 1 4 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.590 0.259 18999 160 1 4 . 1 1 8 8 CYS H H 8 8.496 8.496 8.706 -0.210 18999 161 1 4 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.404 0.618 18999 162 1 4 . 1 1 9 9 ASP H H 9 8.434 8.434 7.538 0.896 18999 163 1 4 . 1 1 10 10 GLY H H 10 8.437 8.437 8.598 -0.161 18999 164 1 4 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.670 0.462 18999 165 1 4 . 1 1 11 11 ILE H H 11 8.348 8.348 8.183 0.165 18999 166 1 4 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.142 0.513 18999 167 1 4 . 1 1 12 12 ILE H H 12 8.123 8.123 7.848 0.275 18999 168 1 4 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.790 -1.076 18999 169 1 4 . 1 1 13 13 ASN H H 13 9.607 9.607 7.985 1.622 18999 170 1 4 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.644 -0.110 18999 171 1 4 . 1 1 14 14 GLN H H 14 8.644 8.644 8.560 0.084 18999 172 1 4 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.372 0.505 18999 173 1 4 . 1 1 15 15 CYS H H 15 8.744 8.744 8.509 0.235 18999 174 1 4 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.082 0.539 18999 175 1 4 . 1 1 16 16 CYS H H 16 10.077 10.077 8.629 1.448 18999 176 1 4 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.798 0.736 18999 177 1 4 . 1 1 17 17 ASP H H 17 8.683 8.683 7.806 0.877 18999 178 1 4 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.401 0.339 18999 179 1 4 . 1 1 19 19 TRP H H 19 8.781 8.781 7.941 0.840 18999 180 1 4 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.774 -0.217 18999 181 1 4 . 1 1 20 20 LEU H H 20 8.713 8.713 7.949 0.764 18999 182 1 4 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.124 -1.027 18999 183 1 4 . 1 1 21 21 CYS H H 21 8.047 8.047 8.817 -0.770 18999 184 1 4 . 1 1 22 22 THR HA H 22 4.434 4.434 4.283 0.151 18999 185 1 4 . 1 1 22 22 THR H H 22 9.382 9.382 8.531 0.851 18999 186 1 4 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.694 0.448 18999 187 1 4 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.380 -0.404 18999 188 1 4 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.159 1.205 18999 189 1 4 . 1 1 25 25 ILE H H 25 7.997 7.997 7.574 0.423 18999 190 1 4 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.923 0.466 18999 191 1 4 . 1 1 26 26 ILE H H 26 7.824 7.824 7.832 -0.008 18999 192 1 4 . 1 1 27 27 GLY H H 27 7.701 7.701 8.141 -0.440 18999 193 1 4 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.970 0.515 18999 194 1 4 . 1 1 28 28 PHE H H 28 8.221 8.221 7.609 0.612 18999 195 1 4 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.699 0.146 18999 196 1 4 . 1 1 29 29 CYS H H 29 8.885 8.885 8.981 -0.096 18999 197 1 5 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.869 0.292 18999 198 1 5 . 1 1 2 2 ILE H H 2 9.119 9.119 8.083 1.036 18999 199 1 5 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.188 0.808 18999 200 1 5 . 1 1 3 3 ALA H H 3 8.456 8.456 8.192 0.264 18999 201 1 5 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.284 -0.343 18999 202 1 5 . 1 1 4 4 HIS H H 4 8.397 8.397 8.135 0.262 18999 203 1 5 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.339 0.480 18999 204 1 5 . 1 1 5 5 TYR H H 5 7.986 7.986 8.635 -0.649 18999 205 1 5 . 1 1 6 6 GLY H H 6 8.644 8.644 7.720 0.924 18999 206 1 5 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.319 -0.060 18999 207 1 5 . 1 1 7 7 LYS H H 7 8.343 8.343 8.409 -0.066 18999 208 1 5 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.575 0.274 18999 209 1 5 . 1 1 8 8 CYS H H 8 8.496 8.496 8.826 -0.330 18999 210 1 5 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.410 0.612 18999 211 1 5 . 1 1 9 9 ASP H H 9 8.434 8.434 7.512 0.922 18999 212 1 5 . 1 1 10 10 GLY H H 10 8.437 8.437 8.616 -0.179 18999 213 1 5 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.644 0.488 18999 214 1 5 . 1 1 11 11 ILE H H 11 8.348 8.348 8.062 0.286 18999 215 1 5 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.278 0.377 18999 216 1 5 . 1 1 12 12 ILE H H 12 8.123 8.123 7.686 0.437 18999 217 1 5 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.756 -1.042 18999 218 1 5 . 1 1 13 13 ASN H H 13 9.607 9.607 8.016 1.591 18999 219 1 5 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.624 -0.090 18999 220 1 5 . 1 1 14 14 GLN H H 14 8.644 8.644 8.582 0.062 18999 221 1 5 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.402 0.475 18999 222 1 5 . 1 1 15 15 CYS H H 15 8.744 8.744 8.554 0.190 18999 223 1 5 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.222 0.399 18999 224 1 5 . 1 1 16 16 CYS H H 16 10.077 10.077 8.722 1.355 18999 225 1 5 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.813 0.721 18999 226 1 5 . 1 1 17 17 ASP H H 17 8.683 8.683 7.636 1.047 18999 227 1 5 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.420 0.320 18999 228 1 5 . 1 1 19 19 TRP H H 19 8.781 8.781 7.883 0.898 18999 229 1 5 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.921 -0.364 18999 230 1 5 . 1 1 20 20 LEU H H 20 8.713 8.713 7.750 0.963 18999 231 1 5 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.113 -1.016 18999 232 1 5 . 1 1 21 21 CYS H H 21 8.047 8.047 8.889 -0.842 18999 233 1 5 . 1 1 22 22 THR HA H 22 4.434 4.434 4.387 0.047 18999 234 1 5 . 1 1 22 22 THR H H 22 9.382 9.382 8.592 0.790 18999 235 1 5 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.697 0.445 18999 236 1 5 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.436 -0.460 18999 237 1 5 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.396 0.968 18999 238 1 5 . 1 1 25 25 ILE H H 25 7.997 7.997 8.002 -0.005 18999 239 1 5 . 1 1 26 26 ILE HA H 26 4.389 4.389 4.047 0.342 18999 240 1 5 . 1 1 26 26 ILE H H 26 7.824 7.824 7.840 -0.016 18999 241 1 5 . 1 1 27 27 GLY H H 27 7.701 7.701 8.273 -0.572 18999 242 1 5 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.780 0.705 18999 243 1 5 . 1 1 28 28 PHE H H 28 8.221 8.221 7.669 0.552 18999 244 1 5 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.732 0.113 18999 245 1 5 . 1 1 29 29 CYS H H 29 8.885 8.885 8.641 0.244 18999 246 1 6 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.928 0.233 18999 247 1 6 . 1 1 2 2 ILE H H 2 9.119 9.119 8.182 0.937 18999 248 1 6 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.428 0.568 18999 249 1 6 . 1 1 3 3 ALA H H 3 8.456 8.456 8.275 0.181 18999 250 1 6 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.214 -0.273 18999 251 1 6 . 1 1 4 4 HIS H H 4 8.397 8.397 8.504 -0.107 18999 252 1 6 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.393 0.426 18999 253 1 6 . 1 1 5 5 TYR H H 5 7.986 7.986 8.545 -0.559 18999 254 1 6 . 1 1 6 6 GLY H H 6 8.644 8.644 8.042 0.602 18999 255 1 6 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.524 -0.265 18999 256 1 6 . 1 1 7 7 LYS H H 7 8.343 8.343 8.464 -0.121 18999 257 1 6 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.493 0.356 18999 258 1 6 . 1 1 8 8 CYS H H 8 8.496 8.496 8.679 -0.183 18999 259 1 6 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.426 0.596 18999 260 1 6 . 1 1 9 9 ASP H H 9 8.434 8.434 7.504 0.930 18999 261 1 6 . 1 1 10 10 GLY H H 10 8.437 8.437 8.567 -0.130 18999 262 1 6 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.640 0.492 18999 263 1 6 . 1 1 11 11 ILE H H 11 8.348 8.348 8.053 0.295 18999 264 1 6 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.211 0.444 18999 265 1 6 . 1 1 12 12 ILE H H 12 8.123 8.123 7.640 0.483 18999 266 1 6 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.779 -1.065 18999 267 1 6 . 1 1 13 13 ASN H H 13 9.607 9.607 8.027 1.580 18999 268 1 6 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.713 -0.179 18999 269 1 6 . 1 1 14 14 GLN H H 14 8.644 8.644 8.493 0.151 18999 270 1 6 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.355 0.522 18999 271 1 6 . 1 1 15 15 CYS H H 15 8.744 8.744 8.541 0.203 18999 272 1 6 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.190 0.431 18999 273 1 6 . 1 1 16 16 CYS H H 16 10.077 10.077 8.611 1.466 18999 274 1 6 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.848 0.686 18999 275 1 6 . 1 1 17 17 ASP H H 17 8.683 8.683 7.827 0.856 18999 276 1 6 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.525 0.215 18999 277 1 6 . 1 1 19 19 TRP H H 19 8.781 8.781 7.755 1.026 18999 278 1 6 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.695 -0.138 18999 279 1 6 . 1 1 20 20 LEU H H 20 8.713 8.713 7.982 0.731 18999 280 1 6 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.135 -1.038 18999 281 1 6 . 1 1 21 21 CYS H H 21 8.047 8.047 8.928 -0.881 18999 282 1 6 . 1 1 22 22 THR HA H 22 4.434 4.434 4.228 0.206 18999 283 1 6 . 1 1 22 22 THR H H 22 9.382 9.382 8.566 0.816 18999 284 1 6 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.680 0.462 18999 285 1 6 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.439 -0.463 18999 286 1 6 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.401 0.963 18999 287 1 6 . 1 1 25 25 ILE H H 25 7.997 7.997 7.709 0.288 18999 288 1 6 . 1 1 26 26 ILE HA H 26 4.389 4.389 4.228 0.161 18999 289 1 6 . 1 1 26 26 ILE H H 26 7.824 7.824 7.769 0.055 18999 290 1 6 . 1 1 27 27 GLY H H 27 7.701 7.701 8.329 -0.628 18999 291 1 6 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.941 0.544 18999 292 1 6 . 1 1 28 28 PHE H H 28 8.221 8.221 7.773 0.448 18999 293 1 6 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.624 0.221 18999 294 1 6 . 1 1 29 29 CYS H H 29 8.885 8.885 8.694 0.191 18999 295 1 7 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.775 0.386 18999 296 1 7 . 1 1 2 2 ILE H H 2 9.119 9.119 8.270 0.849 18999 297 1 7 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.173 0.823 18999 298 1 7 . 1 1 3 3 ALA H H 3 8.456 8.456 8.152 0.304 18999 299 1 7 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.311 -0.370 18999 300 1 7 . 1 1 4 4 HIS H H 4 8.397 8.397 8.308 0.089 18999 301 1 7 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.152 0.667 18999 302 1 7 . 1 1 5 5 TYR H H 5 7.986 7.986 8.265 -0.279 18999 303 1 7 . 1 1 6 6 GLY H H 6 8.644 8.644 7.707 0.937 18999 304 1 7 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.638 -0.379 18999 305 1 7 . 1 1 7 7 LYS H H 7 8.343 8.343 8.355 -0.012 18999 306 1 7 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.537 0.312 18999 307 1 7 . 1 1 8 8 CYS H H 8 8.496 8.496 8.519 -0.023 18999 308 1 7 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.397 0.625 18999 309 1 7 . 1 1 9 9 ASP H H 9 8.434 8.434 7.529 0.905 18999 310 1 7 . 1 1 10 10 GLY H H 10 8.437 8.437 8.335 0.102 18999 311 1 7 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.652 0.480 18999 312 1 7 . 1 1 11 11 ILE H H 11 8.348 8.348 8.179 0.169 18999 313 1 7 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.188 0.467 18999 314 1 7 . 1 1 12 12 ILE H H 12 8.123 8.123 7.792 0.331 18999 315 1 7 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.808 -1.094 18999 316 1 7 . 1 1 13 13 ASN H H 13 9.607 9.607 8.049 1.558 18999 317 1 7 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.645 -0.111 18999 318 1 7 . 1 1 14 14 GLN H H 14 8.644 8.644 8.562 0.082 18999 319 1 7 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.357 0.520 18999 320 1 7 . 1 1 15 15 CYS H H 15 8.744 8.744 8.548 0.196 18999 321 1 7 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.106 0.515 18999 322 1 7 . 1 1 16 16 CYS H H 16 10.077 10.077 8.647 1.430 18999 323 1 7 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.827 0.707 18999 324 1 7 . 1 1 17 17 ASP H H 17 8.683 8.683 7.873 0.810 18999 325 1 7 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.409 0.331 18999 326 1 7 . 1 1 19 19 TRP H H 19 8.781 8.781 7.912 0.869 18999 327 1 7 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.782 -0.225 18999 328 1 7 . 1 1 20 20 LEU H H 20 8.713 8.713 8.112 0.601 18999 329 1 7 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.213 -1.116 18999 330 1 7 . 1 1 21 21 CYS H H 21 8.047 8.047 8.814 -0.767 18999 331 1 7 . 1 1 22 22 THR HA H 22 4.434 4.434 4.262 0.172 18999 332 1 7 . 1 1 22 22 THR H H 22 9.382 9.382 8.545 0.837 18999 333 1 7 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.692 0.450 18999 334 1 7 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.381 -0.405 18999 335 1 7 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.281 1.083 18999 336 1 7 . 1 1 25 25 ILE H H 25 7.997 7.997 7.561 0.436 18999 337 1 7 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.894 0.495 18999 338 1 7 . 1 1 26 26 ILE H H 26 7.824 7.824 7.733 0.091 18999 339 1 7 . 1 1 27 27 GLY H H 27 7.701 7.701 8.092 -0.391 18999 340 1 7 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.288 0.197 18999 341 1 7 . 1 1 28 28 PHE H H 28 8.221 8.221 7.892 0.329 18999 342 1 7 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.575 0.270 18999 343 1 7 . 1 1 29 29 CYS H H 29 8.885 8.885 8.765 0.120 18999 344 1 8 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.895 0.266 18999 345 1 8 . 1 1 2 2 ILE H H 2 9.119 9.119 8.156 0.963 18999 346 1 8 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.180 0.816 18999 347 1 8 . 1 1 3 3 ALA H H 3 8.456 8.456 8.189 0.267 18999 348 1 8 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.248 -0.307 18999 349 1 8 . 1 1 4 4 HIS H H 4 8.397 8.397 8.031 0.366 18999 350 1 8 . 1 1 5 5 TYR HA H 5 4.819 4.819 3.903 0.916 18999 351 1 8 . 1 1 5 5 TYR H H 5 7.986 7.986 8.346 -0.360 18999 352 1 8 . 1 1 6 6 GLY H H 6 8.644 8.644 7.843 0.801 18999 353 1 8 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.704 -0.445 18999 354 1 8 . 1 1 7 7 LYS H H 7 8.343 8.343 8.448 -0.105 18999 355 1 8 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.573 0.276 18999 356 1 8 . 1 1 8 8 CYS H H 8 8.496 8.496 8.716 -0.220 18999 357 1 8 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.505 0.517 18999 358 1 8 . 1 1 9 9 ASP H H 9 8.434 8.434 7.576 0.858 18999 359 1 8 . 1 1 10 10 GLY H H 10 8.437 8.437 8.674 -0.237 18999 360 1 8 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.703 0.429 18999 361 1 8 . 1 1 11 11 ILE H H 11 8.348 8.348 8.223 0.125 18999 362 1 8 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.210 0.445 18999 363 1 8 . 1 1 12 12 ILE H H 12 8.123 8.123 7.723 0.400 18999 364 1 8 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.789 -1.075 18999 365 1 8 . 1 1 13 13 ASN H H 13 9.607 9.607 8.032 1.575 18999 366 1 8 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.718 -0.184 18999 367 1 8 . 1 1 14 14 GLN H H 14 8.644 8.644 8.486 0.158 18999 368 1 8 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.376 0.501 18999 369 1 8 . 1 1 15 15 CYS H H 15 8.744 8.744 8.527 0.217 18999 370 1 8 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.168 0.453 18999 371 1 8 . 1 1 16 16 CYS H H 16 10.077 10.077 8.675 1.402 18999 372 1 8 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.824 0.710 18999 373 1 8 . 1 1 17 17 ASP H H 17 8.683 8.683 8.096 0.587 18999 374 1 8 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.475 0.265 18999 375 1 8 . 1 1 19 19 TRP H H 19 8.781 8.781 7.445 1.336 18999 376 1 8 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.792 -0.235 18999 377 1 8 . 1 1 20 20 LEU H H 20 8.713 8.713 8.368 0.345 18999 378 1 8 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.115 -1.018 18999 379 1 8 . 1 1 21 21 CYS H H 21 8.047 8.047 8.935 -0.888 18999 380 1 8 . 1 1 22 22 THR HA H 22 4.434 4.434 4.279 0.155 18999 381 1 8 . 1 1 22 22 THR H H 22 9.382 9.382 8.578 0.804 18999 382 1 8 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.676 0.466 18999 383 1 8 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.458 -0.482 18999 384 1 8 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.234 1.130 18999 385 1 8 . 1 1 25 25 ILE H H 25 7.997 7.997 7.969 0.028 18999 386 1 8 . 1 1 26 26 ILE HA H 26 4.389 4.389 4.201 0.188 18999 387 1 8 . 1 1 26 26 ILE H H 26 7.824 7.824 7.804 0.020 18999 388 1 8 . 1 1 27 27 GLY H H 27 7.701 7.701 8.337 -0.636 18999 389 1 8 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.869 0.616 18999 390 1 8 . 1 1 28 28 PHE H H 28 8.221 8.221 7.849 0.372 18999 391 1 8 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.436 0.409 18999 392 1 8 . 1 1 29 29 CYS H H 29 8.885 8.885 8.318 0.567 18999 393 1 9 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.847 0.314 18999 394 1 9 . 1 1 2 2 ILE H H 2 9.119 9.119 8.209 0.910 18999 395 1 9 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.358 0.638 18999 396 1 9 . 1 1 3 3 ALA H H 3 8.456 8.456 8.219 0.237 18999 397 1 9 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.372 -0.431 18999 398 1 9 . 1 1 4 4 HIS H H 4 8.397 8.397 8.716 -0.319 18999 399 1 9 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.223 0.596 18999 400 1 9 . 1 1 5 5 TYR H H 5 7.986 7.986 8.321 -0.335 18999 401 1 9 . 1 1 6 6 GLY H H 6 8.644 8.644 7.720 0.924 18999 402 1 9 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.582 -0.323 18999 403 1 9 . 1 1 7 7 LYS H H 7 8.343 8.343 8.106 0.237 18999 404 1 9 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.621 0.228 18999 405 1 9 . 1 1 8 8 CYS H H 8 8.496 8.496 8.620 -0.124 18999 406 1 9 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.400 0.622 18999 407 1 9 . 1 1 9 9 ASP H H 9 8.434 8.434 7.522 0.912 18999 408 1 9 . 1 1 10 10 GLY H H 10 8.437 8.437 8.612 -0.175 18999 409 1 9 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.677 0.455 18999 410 1 9 . 1 1 11 11 ILE H H 11 8.348 8.348 8.188 0.160 18999 411 1 9 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.210 0.445 18999 412 1 9 . 1 1 12 12 ILE H H 12 8.123 8.123 7.716 0.407 18999 413 1 9 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.774 -1.060 18999 414 1 9 . 1 1 13 13 ASN H H 13 9.607 9.607 8.003 1.604 18999 415 1 9 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.716 -0.182 18999 416 1 9 . 1 1 14 14 GLN H H 14 8.644 8.644 8.497 0.147 18999 417 1 9 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.346 0.531 18999 418 1 9 . 1 1 15 15 CYS H H 15 8.744 8.744 8.559 0.185 18999 419 1 9 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.118 0.503 18999 420 1 9 . 1 1 16 16 CYS H H 16 10.077 10.077 8.582 1.495 18999 421 1 9 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.887 0.647 18999 422 1 9 . 1 1 17 17 ASP H H 17 8.683 8.683 7.923 0.760 18999 423 1 9 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.396 0.344 18999 424 1 9 . 1 1 19 19 TRP H H 19 8.781 8.781 7.924 0.857 18999 425 1 9 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.755 -0.199 18999 426 1 9 . 1 1 20 20 LEU H H 20 8.713 8.713 7.870 0.843 18999 427 1 9 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.097 -1.000 18999 428 1 9 . 1 1 21 21 CYS H H 21 8.047 8.047 8.822 -0.775 18999 429 1 9 . 1 1 22 22 THR HA H 22 4.434 4.434 4.273 0.161 18999 430 1 9 . 1 1 22 22 THR H H 22 9.382 9.382 8.504 0.878 18999 431 1 9 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.690 0.452 18999 432 1 9 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.379 -0.403 18999 433 1 9 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.208 1.156 18999 434 1 9 . 1 1 25 25 ILE H H 25 7.997 7.997 7.557 0.440 18999 435 1 9 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.930 0.459 18999 436 1 9 . 1 1 26 26 ILE H H 26 7.824 7.824 7.815 0.009 18999 437 1 9 . 1 1 27 27 GLY H H 27 7.701 7.701 8.163 -0.462 18999 438 1 9 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.924 0.561 18999 439 1 9 . 1 1 28 28 PHE H H 28 8.221 8.221 7.615 0.606 18999 440 1 9 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.709 0.136 18999 441 1 9 . 1 1 29 29 CYS H H 29 8.885 8.885 9.021 -0.136 18999 442 1 10 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.762 0.399 18999 443 1 10 . 1 1 2 2 ILE H H 2 9.119 9.119 8.287 0.832 18999 444 1 10 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.267 0.729 18999 445 1 10 . 1 1 3 3 ALA H H 3 8.456 8.456 8.190 0.266 18999 446 1 10 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.579 -0.638 18999 447 1 10 . 1 1 4 4 HIS H H 4 8.397 8.397 8.371 0.026 18999 448 1 10 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.266 0.553 18999 449 1 10 . 1 1 5 5 TYR H H 5 7.986 7.986 8.528 -0.542 18999 450 1 10 . 1 1 6 6 GLY H H 6 8.644 8.644 7.751 0.893 18999 451 1 10 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.544 -0.285 18999 452 1 10 . 1 1 7 7 LYS H H 7 8.343 8.343 8.218 0.125 18999 453 1 10 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.622 0.227 18999 454 1 10 . 1 1 8 8 CYS H H 8 8.496 8.496 8.609 -0.113 18999 455 1 10 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.406 0.616 18999 456 1 10 . 1 1 9 9 ASP H H 9 8.434 8.434 7.549 0.885 18999 457 1 10 . 1 1 10 10 GLY H H 10 8.437 8.437 8.607 -0.170 18999 458 1 10 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.604 0.528 18999 459 1 10 . 1 1 11 11 ILE H H 11 8.348 8.348 8.163 0.185 18999 460 1 10 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.154 0.501 18999 461 1 10 . 1 1 12 12 ILE H H 12 8.123 8.123 7.836 0.287 18999 462 1 10 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.797 -1.083 18999 463 1 10 . 1 1 13 13 ASN H H 13 9.607 9.607 7.981 1.626 18999 464 1 10 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.661 -0.127 18999 465 1 10 . 1 1 14 14 GLN H H 14 8.644 8.644 8.568 0.076 18999 466 1 10 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.433 0.444 18999 467 1 10 . 1 1 15 15 CYS H H 15 8.744 8.744 8.510 0.234 18999 468 1 10 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.139 0.482 18999 469 1 10 . 1 1 16 16 CYS H H 16 10.077 10.077 8.634 1.443 18999 470 1 10 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.805 0.729 18999 471 1 10 . 1 1 17 17 ASP H H 17 8.683 8.683 7.910 0.773 18999 472 1 10 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.521 0.219 18999 473 1 10 . 1 1 19 19 TRP H H 19 8.781 8.781 7.699 1.082 18999 474 1 10 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.907 -0.350 18999 475 1 10 . 1 1 20 20 LEU H H 20 8.713 8.713 8.163 0.550 18999 476 1 10 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.052 -0.955 18999 477 1 10 . 1 1 21 21 CYS H H 21 8.047 8.047 9.028 -0.981 18999 478 1 10 . 1 1 22 22 THR HA H 22 4.434 4.434 4.211 0.223 18999 479 1 10 . 1 1 22 22 THR H H 22 9.382 9.382 8.516 0.866 18999 480 1 10 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.688 0.454 18999 481 1 10 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.422 -0.446 18999 482 1 10 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.278 1.086 18999 483 1 10 . 1 1 25 25 ILE H H 25 7.997 7.997 7.898 0.099 18999 484 1 10 . 1 1 26 26 ILE HA H 26 4.389 4.389 4.166 0.223 18999 485 1 10 . 1 1 26 26 ILE H H 26 7.824 7.824 7.864 -0.040 18999 486 1 10 . 1 1 27 27 GLY H H 27 7.701 7.701 8.190 -0.489 18999 487 1 10 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.903 0.582 18999 488 1 10 . 1 1 28 28 PHE H H 28 8.221 8.221 7.632 0.589 18999 489 1 10 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.654 0.192 18999 490 1 10 . 1 1 29 29 CYS H H 29 8.885 8.885 8.862 0.023 18999 491 1 11 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.861 0.300 18999 492 1 11 . 1 1 2 2 ILE H H 2 9.119 9.119 8.071 1.048 18999 493 1 11 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.213 0.783 18999 494 1 11 . 1 1 3 3 ALA H H 3 8.456 8.456 8.197 0.259 18999 495 1 11 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.370 -0.429 18999 496 1 11 . 1 1 4 4 HIS H H 4 8.397 8.397 8.338 0.059 18999 497 1 11 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.365 0.454 18999 498 1 11 . 1 1 5 5 TYR H H 5 7.986 7.986 8.650 -0.664 18999 499 1 11 . 1 1 6 6 GLY H H 6 8.644 8.644 7.672 0.972 18999 500 1 11 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.312 -0.053 18999 501 1 11 . 1 1 7 7 LYS H H 7 8.343 8.343 8.395 -0.052 18999 502 1 11 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.561 0.288 18999 503 1 11 . 1 1 8 8 CYS H H 8 8.496 8.496 8.841 -0.345 18999 504 1 11 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.404 0.618 18999 505 1 11 . 1 1 9 9 ASP H H 9 8.434 8.434 7.518 0.916 18999 506 1 11 . 1 1 10 10 GLY H H 10 8.437 8.437 8.543 -0.106 18999 507 1 11 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.654 0.478 18999 508 1 11 . 1 1 11 11 ILE H H 11 8.348 8.348 8.181 0.167 18999 509 1 11 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.320 0.335 18999 510 1 11 . 1 1 12 12 ILE H H 12 8.123 8.123 7.737 0.386 18999 511 1 11 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.754 -1.040 18999 512 1 11 . 1 1 13 13 ASN H H 13 9.607 9.607 7.964 1.643 18999 513 1 11 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.653 -0.119 18999 514 1 11 . 1 1 14 14 GLN H H 14 8.644 8.644 8.561 0.083 18999 515 1 11 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.390 0.487 18999 516 1 11 . 1 1 15 15 CYS H H 15 8.744 8.744 8.540 0.204 18999 517 1 11 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.216 0.405 18999 518 1 11 . 1 1 16 16 CYS H H 16 10.077 10.077 8.711 1.366 18999 519 1 11 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.812 0.722 18999 520 1 11 . 1 1 17 17 ASP H H 17 8.683 8.683 7.614 1.069 18999 521 1 11 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.530 0.210 18999 522 1 11 . 1 1 19 19 TRP H H 19 8.781 8.781 8.013 0.768 18999 523 1 11 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.670 -0.113 18999 524 1 11 . 1 1 20 20 LEU H H 20 8.713 8.713 7.831 0.882 18999 525 1 11 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.021 -0.924 18999 526 1 11 . 1 1 21 21 CYS H H 21 8.047 8.047 8.927 -0.880 18999 527 1 11 . 1 1 22 22 THR HA H 22 4.434 4.434 4.411 0.023 18999 528 1 11 . 1 1 22 22 THR H H 22 9.382 9.382 8.567 0.815 18999 529 1 11 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.715 0.427 18999 530 1 11 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.453 -0.477 18999 531 1 11 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.343 1.021 18999 532 1 11 . 1 1 25 25 ILE H H 25 7.997 7.997 7.815 0.182 18999 533 1 11 . 1 1 26 26 ILE HA H 26 4.389 4.389 4.015 0.374 18999 534 1 11 . 1 1 26 26 ILE H H 26 7.824 7.824 7.786 0.038 18999 535 1 11 . 1 1 27 27 GLY H H 27 7.701 7.701 8.271 -0.570 18999 536 1 11 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.779 0.706 18999 537 1 11 . 1 1 28 28 PHE H H 28 8.221 8.221 7.664 0.557 18999 538 1 11 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.708 0.137 18999 539 1 11 . 1 1 29 29 CYS H H 29 8.885 8.885 8.626 0.259 18999 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 18999 2 1 1 "Average Difference" HA 30 0.550 -0.200 0.521 18999 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18999 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18999 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18999 6 1 1 "Average Difference" HN 25 0.738 -0.391 0.639 18999 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18999 8 1 2 "Average Difference" HA 30 0.529 -0.215 0.492 18999 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18999 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18999 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18999 12 1 2 "Average Difference" HN 25 0.728 -0.371 0.640 18999 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18999 14 1 3 "Average Difference" HA 30 0.538 -0.239 0.489 18999 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18999 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18999 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18999 18 1 3 "Average Difference" HN 25 0.724 -0.385 0.625 18999 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18999 20 1 4 "Average Difference" HA 30 0.561 -0.236 0.518 18999 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18999 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18999 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18999 24 1 4 "Average Difference" HN 25 0.689 -0.370 0.593 18999 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18999 26 1 5 "Average Difference" HA 30 0.532 -0.213 0.496 18999 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18999 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18999 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18999 30 1 5 "Average Difference" HN 25 0.722 -0.367 0.634 18999 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18999 32 1 6 "Average Difference" HA 30 0.514 -0.192 0.485 18999 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18999 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18999 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18999 36 1 6 "Average Difference" HN 25 0.694 -0.345 0.614 18999 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18999 38 1 7 "Average Difference" HA 30 0.547 -0.209 0.515 18999 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18999 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18999 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18999 42 1 7 "Average Difference" HN 25 0.657 -0.383 0.545 18999 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18999 44 1 8 "Average Difference" HA 30 0.553 -0.215 0.518 18999 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18999 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18999 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18999 48 1 8 "Average Difference" HN 25 0.693 -0.350 0.610 18999 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18999 50 1 9 "Average Difference" HA 30 0.544 -0.217 0.507 18999 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18999 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18999 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18999 54 1 9 "Average Difference" HN 25 0.697 -0.371 0.601 18999 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18999 56 1 10 "Average Difference" HA 30 0.549 -0.207 0.518 18999 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18999 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18999 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18999 60 1 10 "Average Difference" HN 25 0.692 -0.341 0.615 18999 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18999 62 1 11 "Average Difference" HA 30 0.525 -0.217 0.486 18999 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18999 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18999 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18999 66 1 11 "Average Difference" HN 25 0.721 -0.362 0.637 18999 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 18999 _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 ILE HA H 2 4.161 4.161 3.848 0.313 18999 2 1 . 1 1 2 2 ILE H H 2 9.119 9.119 8.157 0.962 18999 3 1 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.230 0.766 18999 4 1 . 1 1 3 3 ALA H H 3 8.456 8.456 8.199 0.257 18999 5 1 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.314 -0.373 18999 6 1 . 1 1 4 4 HIS H H 4 8.397 8.397 8.292 0.105 18999 7 1 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.218 0.601 18999 8 1 . 1 1 5 5 TYR H H 5 7.986 7.986 8.479 -0.493 18999 9 1 . 1 1 6 6 GLY H H 6 8.644 8.644 7.733 0.911 18999 10 1 . 1 1 7 7 LYS HA H 7 4.259 4.259 4.509 -0.250 18999 11 1 . 1 1 7 7 LYS H H 7 8.343 8.343 8.344 -0.001 18999 12 1 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.569 0.280 18999 13 1 . 1 1 8 8 CYS H H 8 8.496 8.496 8.717 -0.221 18999 14 1 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.411 0.611 18999 15 1 . 1 1 9 9 ASP H H 9 8.434 8.434 7.536 0.898 18999 16 1 . 1 1 10 10 GLY H H 10 8.437 8.437 8.587 -0.150 18999 17 1 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.659 0.473 18999 18 1 . 1 1 11 11 ILE H H 11 8.348 8.348 8.127 0.221 18999 19 1 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.221 0.434 18999 20 1 . 1 1 12 12 ILE H H 12 8.123 8.123 7.763 0.360 18999 21 1 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.784 -1.070 18999 22 1 . 1 1 13 13 ASN H H 13 9.607 9.607 8.001 1.606 18999 23 1 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.668 -0.134 18999 24 1 . 1 1 14 14 GLN H H 14 8.644 8.644 8.545 0.099 18999 25 1 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.389 0.488 18999 26 1 . 1 1 15 15 CYS H H 15 8.744 8.744 8.534 0.210 18999 27 1 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.174 0.447 18999 28 1 . 1 1 16 16 CYS H H 16 10.077 10.077 8.667 1.410 18999 29 1 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.828 0.706 18999 30 1 . 1 1 17 17 ASP H H 17 8.683 8.683 7.807 0.876 18999 31 1 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.467 0.273 18999 32 1 . 1 1 19 19 TRP H H 19 8.781 8.781 7.805 0.976 18999 33 1 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.788 -0.231 18999 34 1 . 1 1 20 20 LEU H H 20 8.713 8.713 7.996 0.717 18999 35 1 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.107 -1.010 18999 36 1 . 1 1 21 21 CYS H H 21 8.047 8.047 8.908 -0.861 18999 37 1 . 1 1 22 22 THR HA H 22 4.434 4.434 4.287 0.147 18999 38 1 . 1 1 22 22 THR H H 22 9.382 9.382 8.523 0.859 18999 39 1 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.684 0.458 18999 40 1 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.418 -0.442 18999 41 1 . 1 1 25 25 ILE HA H 25 5.364 5.364 4.296 1.068 18999 42 1 . 1 1 25 25 ILE H H 25 7.997 7.997 7.784 0.213 18999 43 1 . 1 1 26 26 ILE HA H 26 4.389 4.389 4.052 0.337 18999 44 1 . 1 1 26 26 ILE H H 26 7.824 7.824 7.781 0.043 18999 45 1 . 1 1 27 27 GLY H H 27 7.701 7.701 8.233 -0.532 18999 46 1 . 1 1 28 28 PHE HA H 28 5.485 5.485 4.900 0.585 18999 47 1 . 1 1 28 28 PHE H H 28 8.221 8.221 7.716 0.505 18999 48 1 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.638 0.207 18999 49 1 . 1 1 29 29 CYS H H 29 8.885 8.885 8.683 0.202 18999 stop_ save_