data_18085 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18085 _Entry.PDB_ID 2LLR 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 18085 _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 8.662 8.662 8.194 0.468 18085 2 1 1 . 1 1 3 3 CYS HA H 3 5.768 5.768 5.153 0.615 18085 3 1 1 . 1 1 3 3 CYS H H 3 8.580 8.580 7.923 0.657 18085 4 1 1 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.774 0.076 18085 5 1 1 . 1 1 4 4 TYR H H 4 9.060 9.060 9.241 -0.181 18085 6 1 1 . 1 1 5 5 THR HA H 5 4.845 4.845 4.544 0.301 18085 7 1 1 . 1 1 5 5 THR H H 5 8.898 8.898 8.398 0.500 18085 8 1 1 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.782 -0.050 18085 9 1 1 . 1 1 6 6 ARG H H 6 8.992 8.992 8.760 0.232 18085 10 1 1 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.501 0.367 18085 11 1 1 . 1 1 7 7 CYS H H 7 8.757 8.757 8.788 -0.031 18085 12 1 1 . 1 1 8 8 TRP H H 8 9.228 9.228 9.025 0.203 18085 13 1 1 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.170 0.420 18085 14 1 1 . 1 1 9 9 LYS H H 9 8.522 8.522 8.461 0.061 18085 15 1 1 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.348 -0.054 18085 16 1 1 . 1 1 10 10 VAL H H 10 7.751 7.751 7.861 -0.110 18085 17 1 1 . 1 1 11 11 GLY H H 11 8.714 8.714 8.413 0.301 18085 18 1 1 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.443 -0.312 18085 19 1 1 . 1 1 12 12 ARG H H 12 8.686 8.686 8.331 0.355 18085 20 1 1 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.775 0.080 18085 21 1 1 . 1 1 13 13 ASN H H 13 8.479 8.479 8.521 -0.042 18085 22 1 1 . 1 1 14 14 GLY H H 14 7.867 7.867 7.933 -0.066 18085 23 1 1 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.487 0.479 18085 24 1 1 . 1 1 15 15 ARG H H 15 8.499 8.499 8.151 0.348 18085 25 1 1 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.093 0.036 18085 26 1 1 . 1 1 16 16 VAL H H 16 8.532 8.532 7.856 0.676 18085 27 1 1 . 1 1 17 17 CYS HA H 17 5.526 5.526 5.125 0.401 18085 28 1 1 . 1 1 17 17 CYS H H 17 8.256 8.256 8.538 -0.282 18085 29 1 1 . 1 1 18 18 MET HA H 18 4.705 4.705 5.135 -0.430 18085 30 1 1 . 1 1 18 18 MET H H 18 9.331 9.331 9.412 -0.081 18085 31 1 1 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.750 -0.035 18085 32 1 1 . 1 1 19 19 ARG H H 19 8.690 8.690 8.376 0.314 18085 33 1 1 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.031 0.146 18085 34 1 1 . 1 1 20 20 VAL H H 20 9.096 9.096 8.423 0.673 18085 35 1 1 . 1 1 21 21 CYS HA H 21 5.397 5.397 5.037 0.360 18085 36 1 1 . 1 1 21 21 CYS H H 21 8.801 8.801 8.514 0.287 18085 37 1 2 . 1 1 2 2 GLY H H 2 8.662 8.662 8.304 0.358 18085 38 1 2 . 1 1 3 3 CYS HA H 3 5.768 5.768 5.034 0.734 18085 39 1 2 . 1 1 3 3 CYS H H 3 8.580 8.580 8.181 0.399 18085 40 1 2 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.896 -0.046 18085 41 1 2 . 1 1 4 4 TYR H H 4 9.060 9.060 8.938 0.122 18085 42 1 2 . 1 1 5 5 THR HA H 5 4.845 4.845 4.778 0.067 18085 43 1 2 . 1 1 5 5 THR H H 5 8.898 8.898 8.445 0.453 18085 44 1 2 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.862 -0.130 18085 45 1 2 . 1 1 6 6 ARG H H 6 8.992 8.992 8.666 0.326 18085 46 1 2 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.534 0.334 18085 47 1 2 . 1 1 7 7 CYS H H 7 8.757 8.757 8.760 -0.003 18085 48 1 2 . 1 1 8 8 TRP H H 8 9.228 9.228 8.422 0.806 18085 49 1 2 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.319 0.271 18085 50 1 2 . 1 1 9 9 LYS H H 9 8.522 8.522 8.427 0.095 18085 51 1 2 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.290 0.004 18085 52 1 2 . 1 1 10 10 VAL H H 10 7.751 7.751 7.802 -0.051 18085 53 1 2 . 1 1 11 11 GLY H H 11 8.714 8.714 8.290 0.424 18085 54 1 2 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.146 -0.015 18085 55 1 2 . 1 1 12 12 ARG H H 12 8.686 8.686 8.404 0.282 18085 56 1 2 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.699 0.156 18085 57 1 2 . 1 1 13 13 ASN H H 13 8.479 8.479 8.507 -0.028 18085 58 1 2 . 1 1 14 14 GLY H H 14 7.867 7.867 8.310 -0.443 18085 59 1 2 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.256 0.710 18085 60 1 2 . 1 1 15 15 ARG H H 15 8.499 8.499 8.197 0.302 18085 61 1 2 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.175 -0.046 18085 62 1 2 . 1 1 16 16 VAL H H 16 8.532 8.532 8.002 0.530 18085 63 1 2 . 1 1 17 17 CYS HA H 17 5.526 5.526 5.125 0.401 18085 64 1 2 . 1 1 17 17 CYS H H 17 8.256 8.256 8.368 -0.112 18085 65 1 2 . 1 1 18 18 MET HA H 18 4.705 4.705 5.132 -0.427 18085 66 1 2 . 1 1 18 18 MET H H 18 9.331 9.331 9.565 -0.234 18085 67 1 2 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.387 0.328 18085 68 1 2 . 1 1 19 19 ARG H H 19 8.690 8.690 8.642 0.048 18085 69 1 2 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.230 -0.053 18085 70 1 2 . 1 1 20 20 VAL H H 20 9.096 9.096 8.188 0.908 18085 71 1 2 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.692 0.705 18085 72 1 2 . 1 1 21 21 CYS H H 21 8.801 8.801 8.734 0.067 18085 73 1 3 . 1 1 2 2 GLY H H 2 8.662 8.662 8.273 0.389 18085 74 1 3 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.732 1.036 18085 75 1 3 . 1 1 3 3 CYS H H 3 8.580 8.580 8.203 0.377 18085 76 1 3 . 1 1 4 4 TYR HA H 4 4.850 4.850 5.023 -0.173 18085 77 1 3 . 1 1 4 4 TYR H H 4 9.060 9.060 8.396 0.664 18085 78 1 3 . 1 1 5 5 THR HA H 5 4.845 4.845 4.317 0.528 18085 79 1 3 . 1 1 5 5 THR H H 5 8.898 8.898 8.442 0.456 18085 80 1 3 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.899 -0.167 18085 81 1 3 . 1 1 6 6 ARG H H 6 8.992 8.992 9.077 -0.085 18085 82 1 3 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.522 0.346 18085 83 1 3 . 1 1 7 7 CYS H H 7 8.757 8.757 8.781 -0.024 18085 84 1 3 . 1 1 8 8 TRP H H 8 9.228 9.228 8.698 0.530 18085 85 1 3 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.209 0.381 18085 86 1 3 . 1 1 9 9 LYS H H 9 8.522 8.522 8.389 0.133 18085 87 1 3 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.267 0.027 18085 88 1 3 . 1 1 10 10 VAL H H 10 7.751 7.751 8.209 -0.458 18085 89 1 3 . 1 1 11 11 GLY H H 11 8.714 8.714 8.359 0.355 18085 90 1 3 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.119 0.012 18085 91 1 3 . 1 1 12 12 ARG H H 12 8.686 8.686 8.368 0.318 18085 92 1 3 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.724 0.131 18085 93 1 3 . 1 1 13 13 ASN H H 13 8.479 8.479 8.406 0.073 18085 94 1 3 . 1 1 14 14 GLY H H 14 7.867 7.867 8.242 -0.375 18085 95 1 3 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.178 0.788 18085 96 1 3 . 1 1 15 15 ARG H H 15 8.499 8.499 8.207 0.292 18085 97 1 3 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.180 -0.051 18085 98 1 3 . 1 1 16 16 VAL H H 16 8.532 8.532 8.077 0.455 18085 99 1 3 . 1 1 17 17 CYS HA H 17 5.526 5.526 5.138 0.388 18085 100 1 3 . 1 1 17 17 CYS H H 17 8.256 8.256 8.331 -0.075 18085 101 1 3 . 1 1 18 18 MET HA H 18 4.705 4.705 5.046 -0.341 18085 102 1 3 . 1 1 18 18 MET H H 18 9.331 9.331 9.586 -0.255 18085 103 1 3 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.375 0.340 18085 104 1 3 . 1 1 19 19 ARG H H 19 8.690 8.690 8.586 0.104 18085 105 1 3 . 1 1 20 20 VAL HA H 20 4.177 4.177 3.959 0.218 18085 106 1 3 . 1 1 20 20 VAL H H 20 9.096 9.096 7.763 1.333 18085 107 1 3 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.523 0.874 18085 108 1 3 . 1 1 21 21 CYS H H 21 8.801 8.801 8.372 0.429 18085 109 1 4 . 1 1 2 2 GLY H H 2 8.662 8.662 8.396 0.266 18085 110 1 4 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.498 1.270 18085 111 1 4 . 1 1 3 3 CYS H H 3 8.580 8.580 7.992 0.588 18085 112 1 4 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.694 0.156 18085 113 1 4 . 1 1 4 4 TYR H H 4 9.060 9.060 8.580 0.480 18085 114 1 4 . 1 1 5 5 THR HA H 5 4.845 4.845 4.521 0.324 18085 115 1 4 . 1 1 5 5 THR H H 5 8.898 8.898 8.420 0.478 18085 116 1 4 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.833 -0.101 18085 117 1 4 . 1 1 6 6 ARG H H 6 8.992 8.992 8.763 0.229 18085 118 1 4 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.253 0.615 18085 119 1 4 . 1 1 7 7 CYS H H 7 8.757 8.757 8.578 0.179 18085 120 1 4 . 1 1 8 8 TRP H H 8 9.228 9.228 8.611 0.617 18085 121 1 4 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.300 0.290 18085 122 1 4 . 1 1 9 9 LYS H H 9 8.522 8.522 8.399 0.123 18085 123 1 4 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.341 -0.047 18085 124 1 4 . 1 1 10 10 VAL H H 10 7.751 7.751 8.173 -0.422 18085 125 1 4 . 1 1 11 11 GLY H H 11 8.714 8.714 8.340 0.374 18085 126 1 4 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.131 -0.000 18085 127 1 4 . 1 1 12 12 ARG H H 12 8.686 8.686 8.449 0.237 18085 128 1 4 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.720 0.135 18085 129 1 4 . 1 1 13 13 ASN H H 13 8.479 8.479 8.391 0.088 18085 130 1 4 . 1 1 14 14 GLY H H 14 7.867 7.867 8.292 -0.425 18085 131 1 4 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.282 0.684 18085 132 1 4 . 1 1 15 15 ARG H H 15 8.499 8.499 8.205 0.294 18085 133 1 4 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.153 -0.024 18085 134 1 4 . 1 1 16 16 VAL H H 16 8.532 8.532 7.819 0.713 18085 135 1 4 . 1 1 17 17 CYS HA H 17 5.526 5.526 5.064 0.462 18085 136 1 4 . 1 1 17 17 CYS H H 17 8.256 8.256 8.332 -0.076 18085 137 1 4 . 1 1 18 18 MET HA H 18 4.705 4.705 5.012 -0.307 18085 138 1 4 . 1 1 18 18 MET H H 18 9.331 9.331 8.626 0.705 18085 139 1 4 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.755 -0.040 18085 140 1 4 . 1 1 19 19 ARG H H 19 8.690 8.690 8.442 0.248 18085 141 1 4 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.131 0.046 18085 142 1 4 . 1 1 20 20 VAL H H 20 9.096 9.096 8.284 0.812 18085 143 1 4 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.665 0.732 18085 144 1 4 . 1 1 21 21 CYS H H 21 8.801 8.801 8.548 0.253 18085 145 1 5 . 1 1 2 2 GLY H H 2 8.662 8.662 8.173 0.489 18085 146 1 5 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.409 1.359 18085 147 1 5 . 1 1 3 3 CYS H H 3 8.580 8.580 8.031 0.549 18085 148 1 5 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.260 0.590 18085 149 1 5 . 1 1 4 4 TYR H H 4 9.060 9.060 8.223 0.837 18085 150 1 5 . 1 1 5 5 THR HA H 5 4.845 4.845 4.424 0.421 18085 151 1 5 . 1 1 5 5 THR H H 5 8.898 8.898 8.551 0.347 18085 152 1 5 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.857 -0.125 18085 153 1 5 . 1 1 6 6 ARG H H 6 8.992 8.992 8.240 0.752 18085 154 1 5 . 1 1 7 7 CYS HA H 7 5.868 5.868 4.922 0.946 18085 155 1 5 . 1 1 7 7 CYS H H 7 8.757 8.757 8.905 -0.148 18085 156 1 5 . 1 1 8 8 TRP H H 8 9.228 9.228 8.452 0.776 18085 157 1 5 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.550 0.040 18085 158 1 5 . 1 1 9 9 LYS H H 9 8.522 8.522 8.724 -0.202 18085 159 1 5 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.494 -0.200 18085 160 1 5 . 1 1 10 10 VAL H H 10 7.751 7.751 8.321 -0.570 18085 161 1 5 . 1 1 11 11 GLY H H 11 8.714 8.714 8.436 0.278 18085 162 1 5 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.464 -0.333 18085 163 1 5 . 1 1 12 12 ARG H H 12 8.686 8.686 8.412 0.274 18085 164 1 5 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.768 0.087 18085 165 1 5 . 1 1 13 13 ASN H H 13 8.479 8.479 8.381 0.098 18085 166 1 5 . 1 1 14 14 GLY H H 14 7.867 7.867 7.829 0.038 18085 167 1 5 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.482 0.484 18085 168 1 5 . 1 1 15 15 ARG H H 15 8.499 8.499 8.176 0.323 18085 169 1 5 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.094 0.035 18085 170 1 5 . 1 1 16 16 VAL H H 16 8.532 8.532 8.297 0.235 18085 171 1 5 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.595 0.931 18085 172 1 5 . 1 1 17 17 CYS H H 17 8.256 8.256 8.409 -0.153 18085 173 1 5 . 1 1 18 18 MET HA H 18 4.705 4.705 4.664 0.041 18085 174 1 5 . 1 1 18 18 MET H H 18 9.331 9.331 8.858 0.473 18085 175 1 5 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.250 0.465 18085 176 1 5 . 1 1 19 19 ARG H H 19 8.690 8.690 8.468 0.222 18085 177 1 5 . 1 1 20 20 VAL HA H 20 4.177 4.177 3.887 0.290 18085 178 1 5 . 1 1 20 20 VAL H H 20 9.096 9.096 8.333 0.763 18085 179 1 5 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.149 1.248 18085 180 1 5 . 1 1 21 21 CYS H H 21 8.801 8.801 8.187 0.614 18085 181 1 6 . 1 1 2 2 GLY H H 2 8.662 8.662 8.294 0.368 18085 182 1 6 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.618 1.150 18085 183 1 6 . 1 1 3 3 CYS H H 3 8.580 8.580 8.218 0.362 18085 184 1 6 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.988 -0.138 18085 185 1 6 . 1 1 4 4 TYR H H 4 9.060 9.060 8.436 0.624 18085 186 1 6 . 1 1 5 5 THR HA H 5 4.845 4.845 4.544 0.301 18085 187 1 6 . 1 1 5 5 THR H H 5 8.898 8.898 8.363 0.535 18085 188 1 6 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.928 -0.196 18085 189 1 6 . 1 1 6 6 ARG H H 6 8.992 8.992 8.786 0.206 18085 190 1 6 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.400 0.468 18085 191 1 6 . 1 1 7 7 CYS H H 7 8.757 8.757 8.831 -0.074 18085 192 1 6 . 1 1 8 8 TRP H H 8 9.228 9.228 8.574 0.654 18085 193 1 6 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.280 0.310 18085 194 1 6 . 1 1 9 9 LYS H H 9 8.522 8.522 8.391 0.131 18085 195 1 6 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.329 -0.035 18085 196 1 6 . 1 1 10 10 VAL H H 10 7.751 7.751 7.862 -0.111 18085 197 1 6 . 1 1 11 11 GLY H H 11 8.714 8.714 8.446 0.268 18085 198 1 6 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.413 -0.282 18085 199 1 6 . 1 1 12 12 ARG H H 12 8.686 8.686 8.283 0.403 18085 200 1 6 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.792 0.063 18085 201 1 6 . 1 1 13 13 ASN H H 13 8.479 8.479 8.518 -0.039 18085 202 1 6 . 1 1 14 14 GLY H H 14 7.867 7.867 8.017 -0.150 18085 203 1 6 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.403 0.563 18085 204 1 6 . 1 1 15 15 ARG H H 15 8.499 8.499 8.169 0.330 18085 205 1 6 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.145 -0.016 18085 206 1 6 . 1 1 16 16 VAL H H 16 8.532 8.532 7.916 0.616 18085 207 1 6 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.767 0.759 18085 208 1 6 . 1 1 17 17 CYS H H 17 8.256 8.256 8.252 0.004 18085 209 1 6 . 1 1 18 18 MET HA H 18 4.705 4.705 5.133 -0.428 18085 210 1 6 . 1 1 18 18 MET H H 18 9.331 9.331 9.557 -0.226 18085 211 1 6 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.506 0.209 18085 212 1 6 . 1 1 19 19 ARG H H 19 8.690 8.690 8.489 0.201 18085 213 1 6 . 1 1 20 20 VAL HA H 20 4.177 4.177 3.996 0.181 18085 214 1 6 . 1 1 20 20 VAL H H 20 9.096 9.096 7.856 1.240 18085 215 1 6 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.522 0.875 18085 216 1 6 . 1 1 21 21 CYS H H 21 8.801 8.801 8.461 0.340 18085 217 1 7 . 1 1 2 2 GLY H H 2 8.662 8.662 8.236 0.426 18085 218 1 7 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.200 1.568 18085 219 1 7 . 1 1 3 3 CYS H H 3 8.580 8.580 7.979 0.601 18085 220 1 7 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.782 0.068 18085 221 1 7 . 1 1 4 4 TYR H H 4 9.060 9.060 9.027 0.033 18085 222 1 7 . 1 1 5 5 THR HA H 5 4.845 4.845 4.540 0.305 18085 223 1 7 . 1 1 5 5 THR H H 5 8.898 8.898 8.558 0.340 18085 224 1 7 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.804 -0.072 18085 225 1 7 . 1 1 6 6 ARG H H 6 8.992 8.992 8.382 0.610 18085 226 1 7 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.086 0.782 18085 227 1 7 . 1 1 7 7 CYS H H 7 8.757 8.757 8.557 0.200 18085 228 1 7 . 1 1 8 8 TRP H H 8 9.228 9.228 8.338 0.890 18085 229 1 7 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.339 0.251 18085 230 1 7 . 1 1 9 9 LYS H H 9 8.522 8.522 8.300 0.222 18085 231 1 7 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.454 -0.160 18085 232 1 7 . 1 1 10 10 VAL H H 10 7.751 7.751 8.295 -0.544 18085 233 1 7 . 1 1 11 11 GLY H H 11 8.714 8.714 8.362 0.352 18085 234 1 7 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.136 -0.005 18085 235 1 7 . 1 1 12 12 ARG H H 12 8.686 8.686 8.305 0.381 18085 236 1 7 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.715 0.140 18085 237 1 7 . 1 1 13 13 ASN H H 13 8.479 8.479 8.480 -0.001 18085 238 1 7 . 1 1 14 14 GLY H H 14 7.867 7.867 8.337 -0.470 18085 239 1 7 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.281 0.685 18085 240 1 7 . 1 1 15 15 ARG H H 15 8.499 8.499 8.222 0.277 18085 241 1 7 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.012 0.117 18085 242 1 7 . 1 1 16 16 VAL H H 16 8.532 8.532 7.741 0.791 18085 243 1 7 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.912 0.614 18085 244 1 7 . 1 1 17 17 CYS H H 17 8.256 8.256 8.374 -0.118 18085 245 1 7 . 1 1 18 18 MET HA H 18 4.705 4.705 4.726 -0.021 18085 246 1 7 . 1 1 18 18 MET H H 18 9.331 9.331 8.492 0.840 18085 247 1 7 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.568 0.147 18085 248 1 7 . 1 1 19 19 ARG H H 19 8.690 8.690 8.461 0.229 18085 249 1 7 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.186 -0.009 18085 250 1 7 . 1 1 20 20 VAL H H 20 9.096 9.096 8.250 0.846 18085 251 1 7 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.746 0.651 18085 252 1 7 . 1 1 21 21 CYS H H 21 8.801 8.801 8.616 0.185 18085 253 1 8 . 1 1 2 2 GLY H H 2 8.662 8.662 8.124 0.538 18085 254 1 8 . 1 1 3 3 CYS HA H 3 5.768 5.768 3.865 1.903 18085 255 1 8 . 1 1 3 3 CYS H H 3 8.580 8.580 8.159 0.421 18085 256 1 8 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.698 0.152 18085 257 1 8 . 1 1 4 4 TYR H H 4 9.060 9.060 7.816 1.244 18085 258 1 8 . 1 1 5 5 THR HA H 5 4.845 4.845 4.451 0.394 18085 259 1 8 . 1 1 5 5 THR H H 5 8.898 8.898 8.551 0.347 18085 260 1 8 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.801 -0.069 18085 261 1 8 . 1 1 6 6 ARG H H 6 8.992 8.992 8.367 0.625 18085 262 1 8 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.290 0.578 18085 263 1 8 . 1 1 7 7 CYS H H 7 8.757 8.757 8.666 0.091 18085 264 1 8 . 1 1 8 8 TRP H H 8 9.228 9.228 8.559 0.669 18085 265 1 8 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.333 0.257 18085 266 1 8 . 1 1 9 9 LYS H H 9 8.522 8.522 8.414 0.108 18085 267 1 8 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.449 -0.155 18085 268 1 8 . 1 1 10 10 VAL H H 10 7.751 7.751 8.346 -0.595 18085 269 1 8 . 1 1 11 11 GLY H H 11 8.714 8.714 8.289 0.425 18085 270 1 8 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.140 -0.009 18085 271 1 8 . 1 1 12 12 ARG H H 12 8.686 8.686 8.335 0.351 18085 272 1 8 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.713 0.142 18085 273 1 8 . 1 1 13 13 ASN H H 13 8.479 8.479 8.456 0.023 18085 274 1 8 . 1 1 14 14 GLY H H 14 7.867 7.867 8.278 -0.411 18085 275 1 8 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.305 0.661 18085 276 1 8 . 1 1 15 15 ARG H H 15 8.499 8.499 8.233 0.266 18085 277 1 8 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.023 0.106 18085 278 1 8 . 1 1 16 16 VAL H H 16 8.532 8.532 7.756 0.776 18085 279 1 8 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.900 0.626 18085 280 1 8 . 1 1 17 17 CYS H H 17 8.256 8.256 8.533 -0.277 18085 281 1 8 . 1 1 18 18 MET HA H 18 4.705 4.705 4.913 -0.208 18085 282 1 8 . 1 1 18 18 MET H H 18 9.331 9.331 9.102 0.229 18085 283 1 8 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.403 0.312 18085 284 1 8 . 1 1 19 19 ARG H H 19 8.690 8.690 8.466 0.224 18085 285 1 8 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.030 0.147 18085 286 1 8 . 1 1 20 20 VAL H H 20 9.096 9.096 7.926 1.170 18085 287 1 8 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.307 1.090 18085 288 1 8 . 1 1 21 21 CYS H H 21 8.801 8.801 8.374 0.427 18085 289 1 9 . 1 1 2 2 GLY H H 2 8.662 8.662 8.260 0.402 18085 290 1 9 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.354 1.414 18085 291 1 9 . 1 1 3 3 CYS H H 3 8.580 8.580 8.089 0.491 18085 292 1 9 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.865 -0.015 18085 293 1 9 . 1 1 4 4 TYR H H 4 9.060 9.060 7.891 1.169 18085 294 1 9 . 1 1 5 5 THR HA H 5 4.845 4.845 4.561 0.284 18085 295 1 9 . 1 1 5 5 THR H H 5 8.898 8.898 8.435 0.463 18085 296 1 9 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.858 -0.126 18085 297 1 9 . 1 1 6 6 ARG H H 6 8.992 8.992 8.602 0.390 18085 298 1 9 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.234 0.634 18085 299 1 9 . 1 1 7 7 CYS H H 7 8.757 8.757 8.807 -0.050 18085 300 1 9 . 1 1 8 8 TRP H H 8 9.228 9.228 8.979 0.249 18085 301 1 9 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.157 0.433 18085 302 1 9 . 1 1 9 9 LYS H H 9 8.522 8.522 8.553 -0.031 18085 303 1 9 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.381 -0.087 18085 304 1 9 . 1 1 10 10 VAL H H 10 7.751 7.751 7.875 -0.124 18085 305 1 9 . 1 1 11 11 GLY H H 11 8.714 8.714 8.553 0.161 18085 306 1 9 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.476 -0.345 18085 307 1 9 . 1 1 12 12 ARG H H 12 8.686 8.686 8.377 0.309 18085 308 1 9 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.798 0.057 18085 309 1 9 . 1 1 13 13 ASN H H 13 8.479 8.479 8.486 -0.007 18085 310 1 9 . 1 1 14 14 GLY H H 14 7.867 7.867 8.003 -0.136 18085 311 1 9 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.491 0.475 18085 312 1 9 . 1 1 15 15 ARG H H 15 8.499 8.499 8.261 0.238 18085 313 1 9 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.327 -0.198 18085 314 1 9 . 1 1 16 16 VAL H H 16 8.532 8.532 8.044 0.488 18085 315 1 9 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.890 0.636 18085 316 1 9 . 1 1 17 17 CYS H H 17 8.256 8.256 8.234 0.022 18085 317 1 9 . 1 1 18 18 MET HA H 18 4.705 4.705 4.813 -0.108 18085 318 1 9 . 1 1 18 18 MET H H 18 9.331 9.331 9.281 0.050 18085 319 1 9 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.601 0.114 18085 320 1 9 . 1 1 19 19 ARG H H 19 8.690 8.690 8.631 0.059 18085 321 1 9 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.026 0.151 18085 322 1 9 . 1 1 20 20 VAL H H 20 9.096 9.096 7.875 1.221 18085 323 1 9 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.286 1.111 18085 324 1 9 . 1 1 21 21 CYS H H 21 8.801 8.801 8.585 0.216 18085 325 1 10 . 1 1 2 2 GLY H H 2 8.662 8.662 8.448 0.214 18085 326 1 10 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.604 1.164 18085 327 1 10 . 1 1 3 3 CYS H H 3 8.580 8.580 8.443 0.137 18085 328 1 10 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.276 0.574 18085 329 1 10 . 1 1 4 4 TYR H H 4 9.060 9.060 8.556 0.504 18085 330 1 10 . 1 1 5 5 THR HA H 5 4.845 4.845 4.755 0.090 18085 331 1 10 . 1 1 5 5 THR H H 5 8.898 8.898 8.537 0.361 18085 332 1 10 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.803 -0.071 18085 333 1 10 . 1 1 6 6 ARG H H 6 8.992 8.992 8.201 0.791 18085 334 1 10 . 1 1 7 7 CYS HA H 7 5.868 5.868 4.562 1.306 18085 335 1 10 . 1 1 7 7 CYS H H 7 8.757 8.757 8.815 -0.058 18085 336 1 10 . 1 1 8 8 TRP H H 8 9.228 9.228 8.169 1.059 18085 337 1 10 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.383 0.207 18085 338 1 10 . 1 1 9 9 LYS H H 9 8.522 8.522 8.607 -0.085 18085 339 1 10 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.393 -0.099 18085 340 1 10 . 1 1 10 10 VAL H H 10 7.751 7.751 7.828 -0.077 18085 341 1 10 . 1 1 11 11 GLY H H 11 8.714 8.714 8.577 0.137 18085 342 1 10 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.418 -0.287 18085 343 1 10 . 1 1 12 12 ARG H H 12 8.686 8.686 8.258 0.428 18085 344 1 10 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.489 0.366 18085 345 1 10 . 1 1 13 13 ASN H H 13 8.479 8.479 8.935 -0.456 18085 346 1 10 . 1 1 14 14 GLY H H 14 7.867 7.867 7.900 -0.033 18085 347 1 10 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.688 0.278 18085 348 1 10 . 1 1 15 15 ARG H H 15 8.499 8.499 8.181 0.318 18085 349 1 10 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.167 -0.038 18085 350 1 10 . 1 1 16 16 VAL H H 16 8.532 8.532 8.299 0.233 18085 351 1 10 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.574 0.952 18085 352 1 10 . 1 1 17 17 CYS H H 17 8.256 8.256 8.532 -0.276 18085 353 1 10 . 1 1 18 18 MET HA H 18 4.705 4.705 4.542 0.163 18085 354 1 10 . 1 1 18 18 MET H H 18 9.331 9.331 8.424 0.907 18085 355 1 10 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.417 0.298 18085 356 1 10 . 1 1 19 19 ARG H H 19 8.690 8.690 8.390 0.300 18085 357 1 10 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.012 0.165 18085 358 1 10 . 1 1 20 20 VAL H H 20 9.096 9.096 8.226 0.870 18085 359 1 10 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.262 1.135 18085 360 1 10 . 1 1 21 21 CYS H H 21 8.801 8.801 8.544 0.257 18085 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 18085 2 1 1 "Average Difference" HA 22 0.333 -0.199 0.274 18085 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18085 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18085 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18085 6 1 1 "Average Difference" HN 20 0.358 -0.214 0.295 18085 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18085 8 1 2 "Average Difference" HA 22 0.399 -0.219 0.341 18085 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18085 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18085 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18085 12 1 2 "Average Difference" HN 20 0.387 -0.212 0.332 18085 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18085 14 1 3 "Average Difference" HA 22 0.448 -0.250 0.381 18085 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18085 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18085 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18085 18 1 3 "Average Difference" HN 20 0.456 -0.232 0.403 18085 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18085 20 1 4 "Average Difference" HA 22 0.466 -0.271 0.388 18085 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18085 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18085 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18085 24 1 4 "Average Difference" HN 20 0.436 -0.288 0.336 18085 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18085 26 1 5 "Average Difference" HA 22 0.567 -0.363 0.446 18085 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18085 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18085 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18085 30 1 5 "Average Difference" HN 20 0.474 -0.300 0.377 18085 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18085 32 1 6 "Average Difference" HA 22 0.456 -0.258 0.385 18085 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18085 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18085 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18085 36 1 6 "Average Difference" HN 20 0.444 -0.284 0.350 18085 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18085 38 1 7 "Average Difference" HA 22 0.508 -0.305 0.416 18085 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18085 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18085 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18085 42 1 7 "Average Difference" HN 20 0.496 -0.304 0.402 18085 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18085 44 1 8 "Average Difference" HA 22 0.574 -0.305 0.498 18085 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18085 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18085 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18085 48 1 8 "Average Difference" HN 20 0.558 -0.333 0.460 18085 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18085 50 1 9 "Average Difference" HA 22 0.500 -0.286 0.419 18085 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18085 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18085 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18085 54 1 9 "Average Difference" HN 20 0.458 -0.279 0.373 18085 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18085 56 1 10 "Average Difference" HA 22 0.559 -0.319 0.470 18085 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18085 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18085 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18085 60 1 10 "Average Difference" HN 20 0.479 -0.277 0.401 18085 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 18085 _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 8.662 8.662 8.270 0.392 18085 2 1 . 1 1 3 3 CYS HA H 3 5.768 5.768 4.547 1.221 18085 3 1 . 1 1 3 3 CYS H H 3 8.580 8.580 8.122 0.458 18085 4 1 . 1 1 4 4 TYR HA H 4 4.850 4.850 4.726 0.124 18085 5 1 . 1 1 4 4 TYR H H 4 9.060 9.060 8.510 0.550 18085 6 1 . 1 1 5 5 THR HA H 5 4.845 4.845 4.543 0.301 18085 7 1 . 1 1 5 5 THR H H 5 8.898 8.898 8.470 0.428 18085 8 1 . 1 1 6 6 ARG HA H 6 4.732 4.732 4.843 -0.111 18085 9 1 . 1 1 6 6 ARG H H 6 8.992 8.992 8.584 0.408 18085 10 1 . 1 1 7 7 CYS HA H 7 5.868 5.868 5.230 0.638 18085 11 1 . 1 1 7 7 CYS H H 7 8.757 8.757 8.749 0.008 18085 12 1 . 1 1 8 8 TRP H H 8 9.228 9.228 8.583 0.645 18085 13 1 . 1 1 9 9 LYS HA H 9 4.590 4.590 4.304 0.286 18085 14 1 . 1 1 9 9 LYS H H 9 8.522 8.522 8.466 0.056 18085 15 1 . 1 1 10 10 VAL HA H 10 4.294 4.294 4.375 -0.081 18085 16 1 . 1 1 10 10 VAL H H 10 7.751 7.751 8.057 -0.306 18085 17 1 . 1 1 11 11 GLY H H 11 8.714 8.714 8.406 0.307 18085 18 1 . 1 1 12 12 ARG HA H 12 4.131 4.131 4.289 -0.158 18085 19 1 . 1 1 12 12 ARG H H 12 8.686 8.686 8.352 0.334 18085 20 1 . 1 1 13 13 ASN HA H 13 4.855 4.855 4.719 0.136 18085 21 1 . 1 1 13 13 ASN H H 13 8.479 8.479 8.508 -0.029 18085 22 1 . 1 1 14 14 GLY H H 14 7.867 7.867 8.114 -0.247 18085 23 1 . 1 1 15 15 ARG HA H 15 4.966 4.966 4.385 0.581 18085 24 1 . 1 1 15 15 ARG H H 15 8.499 8.499 8.200 0.299 18085 25 1 . 1 1 16 16 VAL HA H 16 4.129 4.129 4.137 -0.008 18085 26 1 . 1 1 16 16 VAL H H 16 8.532 8.532 7.981 0.551 18085 27 1 . 1 1 17 17 CYS HA H 17 5.526 5.526 4.909 0.617 18085 28 1 . 1 1 17 17 CYS H H 17 8.256 8.256 8.390 -0.134 18085 29 1 . 1 1 18 18 MET HA H 18 4.705 4.705 4.912 -0.207 18085 30 1 . 1 1 18 18 MET H H 18 9.331 9.331 9.090 0.241 18085 31 1 . 1 1 19 19 ARG HA H 19 4.715 4.715 4.501 0.214 18085 32 1 . 1 1 19 19 ARG H H 19 8.690 8.690 8.495 0.195 18085 33 1 . 1 1 20 20 VAL HA H 20 4.177 4.177 4.049 0.128 18085 34 1 . 1 1 20 20 VAL H H 20 9.096 9.096 8.112 0.984 18085 35 1 . 1 1 21 21 CYS HA H 21 5.397 5.397 4.519 0.878 18085 36 1 . 1 1 21 21 CYS H H 21 8.801 8.801 8.493 0.307 18085 stop_ save_