data_15946_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15946
_Entry.PDB_ID 2K76
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 8 . 1 1 1 A 2 2 PHE H H 2 8.049 9.042 -0.993 1
1 9 . 1 1 1 A 2 2 PHE HA H 2 4.745 5.154 -0.409 1
1 18 . 1 1 1 A 4 4 PRO HA H 4 4.386 4.538 -0.152 1
1 23 . 1 1 1 A 5 5 THR H H 5 8.402 8.495 -0.093 1
1 24 . 1 1 1 A 5 5 THR HA H 5 4.339 5.011 -0.672 1
1 27 . 1 1 1 A 6 6 PRO HA H 6 3.810 3.928 -0.118 1
1 34 . 1 1 1 A 7 7 PRO HA H 7 4.236 4.564 -0.328 1
1 41 . 1 1 1 A 8 8 GLY H H 8 8.174 8.770 -0.596 1
1 42 . 1 1 1 A 8 8 GLY HA2 H 8 3.849 4.034 -0.185 1
1 43 . 1 1 1 A 8 8 GLY HA3 H 8 3.771 4.047 -0.276 1
1 44 . 1 1 1 A 9 9 GLU H H 9 8.338 8.706 -0.368 1
1 45 . 1 1 1 A 9 9 GLU HA H 9 3.877 3.919 -0.042 1
1 50 . 1 1 1 A 10 10 GLU H H 10 8.643 7.871 0.772 1
1 51 . 1 1 1 A 10 10 GLU HA H 10 4.129 4.220 -0.091 1
1 54 . 1 1 1 A 11 11 ALA H H 11 7.382 7.662 -0.280 1
1 55 . 1 1 1 A 11 11 ALA HA H 11 4.293 4.339 -0.046 1
1 59 . 1 1 1 A 12 12 PRO HA H 12 4.447 4.575 -0.128 1
1 66 . 1 1 1 A 13 13 VAL H H 13 8.549 8.854 -0.305 1
1 67 . 1 1 1 A 13 13 VAL HA H 13 3.674 3.943 -0.269 1
1 75 . 1 1 1 A 14 14 GLU H H 14 9.063 8.394 0.669 1
1 76 . 1 1 1 A 14 14 GLU HA H 14 3.896 4.022 -0.126 1
1 81 . 1 1 1 A 15 15 ASP H H 15 7.588 8.084 -0.496 1
1 82 . 1 1 1 A 15 15 ASP HA H 15 4.439 4.495 -0.056 1
1 85 . 1 1 1 A 16 16 LEU H H 16 7.593 7.851 -0.258 1
1 86 . 1 1 1 A 16 16 LEU HA H 16 4.033 4.137 -0.104 1
1 96 . 1 1 1 A 17 17 ILE H H 17 8.252 7.944 0.308 1
1 97 . 1 1 1 A 17 17 ILE HA H 17 3.592 3.581 0.011 1
1 107 . 1 1 1 A 18 18 ARG H H 18 7.499 8.102 -0.603 1
1 108 . 1 1 1 A 18 18 ARG HA H 18 4.002 3.834 0.168 1
1 116 . 1 1 1 A 19 19 PHE H H 19 7.849 8.360 -0.511 1
1 117 . 1 1 1 A 19 19 PHE HA H 19 4.330 4.298 0.032 1
1 124 . 1 1 1 A 20 20 TYR H H 20 8.496 8.289 0.207 1
1 125 . 1 1 1 A 20 20 TYR HA H 20 3.744 4.204 -0.460 1
1 132 . 1 1 1 A 21 21 ASN H H 21 8.174 8.079 0.095 1
1 133 . 1 1 1 A 21 21 ASN HA H 21 4.231 4.337 -0.106 1
1 137 . 1 1 1 A 22 22 ASP H H 22 8.464 8.296 0.168 1
1 138 . 1 1 1 A 22 22 ASP HA H 22 4.268 4.361 -0.093 1
1 141 . 1 1 1 A 23 23 LEU H H 23 8.838 8.241 0.597 1
1 142 . 1 1 1 A 23 23 LEU HA H 23 3.744 3.883 -0.139 1
1 152 . 1 1 1 A 24 24 GLN H H 24 8.114 8.166 -0.052 1
1 153 . 1 1 1 A 24 24 GLN HA H 24 3.478 3.750 -0.272 1
1 158 . 1 1 1 A 25 25 GLN H H 25 7.534 7.759 -0.225 1
1 159 . 1 1 1 A 25 25 GLN HA H 25 3.904 4.006 -0.102 1
1 164 . 1 1 1 A 26 26 TYR H H 26 7.784 7.760 0.024 1
1 165 . 1 1 1 A 26 26 TYR HA H 26 4.049 4.166 -0.117 1
1 172 . 1 1 1 A 27 27 LEU H H 27 8.363 8.249 0.114 1
1 173 . 1 1 1 A 27 27 LEU HA H 27 3.643 3.865 -0.222 1
1 183 . 1 1 1 A 28 28 ASN H H 28 7.698 7.996 -0.298 1
1 184 . 1 1 1 A 28 28 ASN HA H 28 4.285 4.472 -0.187 1
1 187 . 1 1 1 A 29 29 VAL H H 29 7.471 8.831 -1.360 1
1 188 . 1 1 1 A 29 29 VAL HA H 29 3.771 3.465 0.306 1
1 8 . 2 1 1 A 2 2 PHE H H 2 8.049 8.869 -0.820 1
1 9 . 2 1 1 A 2 2 PHE HA H 2 4.745 4.495 0.250 1
1 18 . 2 1 1 A 4 4 PRO HA H 4 4.386 4.606 -0.220 1
1 23 . 2 1 1 A 5 5 THR H H 5 8.402 8.469 -0.067 1
1 24 . 2 1 1 A 5 5 THR HA H 5 4.339 5.054 -0.715 1
1 27 . 2 1 1 A 6 6 PRO HA H 6 3.810 3.321 0.489 1
1 34 . 2 1 1 A 7 7 PRO HA H 7 4.236 4.529 -0.293 1
1 41 . 2 1 1 A 8 8 GLY H H 8 8.174 8.762 -0.588 1
1 42 . 2 1 1 A 8 8 GLY HA2 H 8 3.849 4.024 -0.175 1
1 43 . 2 1 1 A 8 8 GLY HA3 H 8 3.771 4.037 -0.266 1
1 44 . 2 1 1 A 9 9 GLU H H 9 8.338 8.710 -0.372 1
1 45 . 2 1 1 A 9 9 GLU HA H 9 3.877 3.922 -0.045 1
1 50 . 2 1 1 A 10 10 GLU H H 10 8.643 7.866 0.777 1
1 51 . 2 1 1 A 10 10 GLU HA H 10 4.129 4.208 -0.079 1
1 54 . 2 1 1 A 11 11 ALA H H 11 7.382 7.712 -0.330 1
1 55 . 2 1 1 A 11 11 ALA HA H 11 4.293 4.363 -0.070 1
1 59 . 2 1 1 A 12 12 PRO HA H 12 4.447 4.583 -0.136 1
1 66 . 2 1 1 A 13 13 VAL H H 13 8.549 8.642 -0.093 1
1 67 . 2 1 1 A 13 13 VAL HA H 13 3.674 3.739 -0.065 1
1 75 . 2 1 1 A 14 14 GLU H H 14 9.063 8.373 0.690 1
1 76 . 2 1 1 A 14 14 GLU HA H 14 3.896 4.009 -0.113 1
1 81 . 2 1 1 A 15 15 ASP H H 15 7.588 8.128 -0.540 1
1 82 . 2 1 1 A 15 15 ASP HA H 15 4.439 4.388 0.051 1
1 85 . 2 1 1 A 16 16 LEU H H 16 7.593 7.419 0.174 1
1 86 . 2 1 1 A 16 16 LEU HA H 16 4.033 4.178 -0.145 1
1 96 . 2 1 1 A 17 17 ILE H H 17 8.252 7.948 0.304 1
1 97 . 2 1 1 A 17 17 ILE HA H 17 3.592 3.574 0.018 1
1 107 . 2 1 1 A 18 18 ARG H H 18 7.499 8.016 -0.517 1
1 108 . 2 1 1 A 18 18 ARG HA H 18 4.002 4.037 -0.035 1
1 116 . 2 1 1 A 19 19 PHE H H 19 7.849 8.076 -0.227 1
1 117 . 2 1 1 A 19 19 PHE HA H 19 4.330 4.313 0.017 1
1 124 . 2 1 1 A 20 20 TYR H H 20 8.496 8.167 0.329 1
1 125 . 2 1 1 A 20 20 TYR HA H 20 3.744 4.104 -0.360 1
1 132 . 2 1 1 A 21 21 ASN H H 21 8.174 8.297 -0.123 1
1 133 . 2 1 1 A 21 21 ASN HA H 21 4.231 4.433 -0.202 1
1 137 . 2 1 1 A 22 22 ASP H H 22 8.464 7.760 0.704 1
1 138 . 2 1 1 A 22 22 ASP HA H 22 4.268 4.413 -0.145 1
1 141 . 2 1 1 A 23 23 LEU H H 23 8.838 7.566 1.272 1
1 142 . 2 1 1 A 23 23 LEU HA H 23 3.744 3.910 -0.166 1
1 152 . 2 1 1 A 24 24 GLN H H 24 8.114 7.967 0.147 1
1 153 . 2 1 1 A 24 24 GLN HA H 24 3.478 3.778 -0.300 1
1 158 . 2 1 1 A 25 25 GLN H H 25 7.534 7.476 0.058 1
1 159 . 2 1 1 A 25 25 GLN HA H 25 3.904 4.060 -0.156 1
1 164 . 2 1 1 A 26 26 TYR H H 26 7.784 8.024 -0.240 1
1 165 . 2 1 1 A 26 26 TYR HA H 26 4.049 4.188 -0.139 1
1 172 . 2 1 1 A 27 27 LEU H H 27 8.363 8.321 0.042 1
1 173 . 2 1 1 A 27 27 LEU HA H 27 3.643 3.685 -0.042 1
1 183 . 2 1 1 A 28 28 ASN H H 28 7.698 7.985 -0.287 1
1 184 . 2 1 1 A 28 28 ASN HA H 28 4.285 4.451 -0.166 1
1 187 . 2 1 1 A 29 29 VAL H H 29 7.471 7.763 -0.292 1
1 188 . 2 1 1 A 29 29 VAL HA H 29 3.771 3.827 -0.056 1
1 8 . 3 1 1 A 2 2 PHE H H 2 8.049 7.693 0.356 1
1 9 . 3 1 1 A 2 2 PHE HA H 2 4.745 4.606 0.139 1
1 18 . 3 1 1 A 4 4 PRO HA H 4 4.386 4.519 -0.133 1
1 23 . 3 1 1 A 5 5 THR H H 5 8.402 8.520 -0.118 1
1 24 . 3 1 1 A 5 5 THR HA H 5 4.339 4.925 -0.586 1
1 27 . 3 1 1 A 6 6 PRO HA H 6 3.810 4.668 -0.858 1
1 34 . 3 1 1 A 7 7 PRO HA H 7 4.236 4.369 -0.133 1
1 41 . 3 1 1 A 8 8 GLY H H 8 8.174 7.299 0.875 1
1 42 . 3 1 1 A 8 8 GLY HA2 H 8 3.849 4.017 -0.168 1
1 43 . 3 1 1 A 8 8 GLY HA3 H 8 3.771 4.031 -0.260 1
1 44 . 3 1 1 A 9 9 GLU H H 9 8.338 8.869 -0.531 1
1 45 . 3 1 1 A 9 9 GLU HA H 9 3.877 3.920 -0.043 1
1 50 . 3 1 1 A 10 10 GLU H H 10 8.643 7.913 0.730 1
1 51 . 3 1 1 A 10 10 GLU HA H 10 4.129 4.122 0.007 1
1 54 . 3 1 1 A 11 11 ALA H H 11 7.382 7.477 -0.095 1
1 55 . 3 1 1 A 11 11 ALA HA H 11 4.293 4.412 -0.119 1
1 59 . 3 1 1 A 12 12 PRO HA H 12 4.447 4.550 -0.103 1
1 66 . 3 1 1 A 13 13 VAL H H 13 8.549 8.830 -0.281 1
1 67 . 3 1 1 A 13 13 VAL HA H 13 3.674 3.939 -0.265 1
1 75 . 3 1 1 A 14 14 GLU H H 14 9.063 8.350 0.713 1
1 76 . 3 1 1 A 14 14 GLU HA H 14 3.896 4.033 -0.137 1
1 81 . 3 1 1 A 15 15 ASP H H 15 7.588 8.305 -0.717 1
1 82 . 3 1 1 A 15 15 ASP HA H 15 4.439 4.506 -0.067 1
1 85 . 3 1 1 A 16 16 LEU H H 16 7.593 7.939 -0.346 1
1 86 . 3 1 1 A 16 16 LEU HA H 16 4.033 4.141 -0.108 1
1 96 . 3 1 1 A 17 17 ILE H H 17 8.252 7.936 0.316 1
1 97 . 3 1 1 A 17 17 ILE HA H 17 3.592 3.579 0.013 1
1 107 . 3 1 1 A 18 18 ARG H H 18 7.499 7.993 -0.494 1
1 108 . 3 1 1 A 18 18 ARG HA H 18 4.002 3.896 0.106 1
1 116 . 3 1 1 A 19 19 PHE H H 19 7.849 8.091 -0.242 1
1 117 . 3 1 1 A 19 19 PHE HA H 19 4.330 4.269 0.061 1
1 124 . 3 1 1 A 20 20 TYR H H 20 8.496 8.436 0.060 1
1 125 . 3 1 1 A 20 20 TYR HA H 20 3.744 4.292 -0.548 1
1 132 . 3 1 1 A 21 21 ASN H H 21 8.174 8.514 -0.340 1
1 133 . 3 1 1 A 21 21 ASN HA H 21 4.231 3.653 0.578 1
1 137 . 3 1 1 A 22 22 ASP H H 22 8.464 8.079 0.385 1
1 138 . 3 1 1 A 22 22 ASP HA H 22 4.268 4.334 -0.066 1
1 141 . 3 1 1 A 23 23 LEU H H 23 8.838 7.816 1.022 1
1 142 . 3 1 1 A 23 23 LEU HA H 23 3.744 3.874 -0.130 1
1 152 . 3 1 1 A 24 24 GLN H H 24 8.114 7.974 0.140 1
1 153 . 3 1 1 A 24 24 GLN HA H 24 3.478 3.840 -0.362 1
1 158 . 3 1 1 A 25 25 GLN H H 25 7.534 7.666 -0.132 1
1 159 . 3 1 1 A 25 25 GLN HA H 25 3.904 4.043 -0.139 1
1 164 . 3 1 1 A 26 26 TYR H H 26 7.784 7.871 -0.087 1
1 165 . 3 1 1 A 26 26 TYR HA H 26 4.049 4.138 -0.089 1
1 172 . 3 1 1 A 27 27 LEU H H 27 8.363 8.230 0.133 1
1 173 . 3 1 1 A 27 27 LEU HA H 27 3.643 3.832 -0.189 1
1 183 . 3 1 1 A 28 28 ASN H H 28 7.698 7.970 -0.272 1
1 184 . 3 1 1 A 28 28 ASN HA H 28 4.285 4.467 -0.182 1
1 187 . 3 1 1 A 29 29 VAL H H 29 7.471 7.652 -0.181 1
1 188 . 3 1 1 A 29 29 VAL HA H 29 3.771 3.796 -0.025 1
1 8 . 4 1 1 A 2 2 PHE H H 2 8.049 8.826 -0.777 1
1 9 . 4 1 1 A 2 2 PHE HA H 2 4.745 4.545 0.200 1
1 18 . 4 1 1 A 4 4 PRO HA H 4 4.386 4.515 -0.129 1
1 23 . 4 1 1 A 5 5 THR H H 5 8.402 8.494 -0.092 1
1 24 . 4 1 1 A 5 5 THR HA H 5 4.339 5.001 -0.662 1
1 27 . 4 1 1 A 6 6 PRO HA H 6 3.810 4.611 -0.801 1
1 34 . 4 1 1 A 7 7 PRO HA H 7 4.236 4.359 -0.123 1
1 41 . 4 1 1 A 8 8 GLY H H 8 8.174 7.313 0.861 1
1 42 . 4 1 1 A 8 8 GLY HA2 H 8 3.849 4.008 -0.159 1
1 43 . 4 1 1 A 8 8 GLY HA3 H 8 3.771 4.020 -0.249 1
1 44 . 4 1 1 A 9 9 GLU H H 9 8.338 9.067 -0.729 1
1 45 . 4 1 1 A 9 9 GLU HA H 9 3.877 3.898 -0.021 1
1 50 . 4 1 1 A 10 10 GLU H H 10 8.643 7.894 0.749 1
1 51 . 4 1 1 A 10 10 GLU HA H 10 4.129 4.177 -0.048 1
1 54 . 4 1 1 A 11 11 ALA H H 11 7.382 7.695 -0.313 1
1 55 . 4 1 1 A 11 11 ALA HA H 11 4.293 4.370 -0.077 1
1 59 . 4 1 1 A 12 12 PRO HA H 12 4.447 4.571 -0.124 1
1 66 . 4 1 1 A 13 13 VAL H H 13 8.549 8.863 -0.314 1
1 67 . 4 1 1 A 13 13 VAL HA H 13 3.674 3.945 -0.271 1
1 75 . 4 1 1 A 14 14 GLU H H 14 9.063 8.351 0.712 1
1 76 . 4 1 1 A 14 14 GLU HA H 14 3.896 4.018 -0.122 1
1 81 . 4 1 1 A 15 15 ASP H H 15 7.588 8.031 -0.443 1
1 82 . 4 1 1 A 15 15 ASP HA H 15 4.439 4.523 -0.084 1
1 85 . 4 1 1 A 16 16 LEU H H 16 7.593 7.340 0.253 1
1 86 . 4 1 1 A 16 16 LEU HA H 16 4.033 4.134 -0.101 1
1 96 . 4 1 1 A 17 17 ILE H H 17 8.252 8.095 0.157 1
1 97 . 4 1 1 A 17 17 ILE HA H 17 3.592 3.586 0.006 1
1 107 . 4 1 1 A 18 18 ARG H H 18 7.499 7.982 -0.483 1
1 108 . 4 1 1 A 18 18 ARG HA H 18 4.002 3.710 0.292 1
1 116 . 4 1 1 A 19 19 PHE H H 19 7.849 7.942 -0.093 1
1 117 . 4 1 1 A 19 19 PHE HA H 19 4.330 4.297 0.033 1
1 124 . 4 1 1 A 20 20 TYR H H 20 8.496 8.294 0.202 1
1 125 . 4 1 1 A 20 20 TYR HA H 20 3.744 4.099 -0.355 1
1 132 . 4 1 1 A 21 21 ASN H H 21 8.174 8.840 -0.666 1
1 133 . 4 1 1 A 21 21 ASN HA H 21 4.231 4.428 -0.197 1
1 137 . 4 1 1 A 22 22 ASP H H 22 8.464 7.872 0.592 1
1 138 . 4 1 1 A 22 22 ASP HA H 22 4.268 4.389 -0.121 1
1 141 . 4 1 1 A 23 23 LEU H H 23 8.838 7.519 1.319 1
1 142 . 4 1 1 A 23 23 LEU HA H 23 3.744 3.932 -0.188 1
1 152 . 4 1 1 A 24 24 GLN H H 24 8.114 8.121 -0.007 1
1 153 . 4 1 1 A 24 24 GLN HA H 24 3.478 3.758 -0.280 1
1 158 . 4 1 1 A 25 25 GLN H H 25 7.534 7.616 -0.082 1
1 159 . 4 1 1 A 25 25 GLN HA H 25 3.904 4.075 -0.171 1
1 164 . 4 1 1 A 26 26 TYR H H 26 7.784 7.812 -0.028 1
1 165 . 4 1 1 A 26 26 TYR HA H 26 4.049 4.130 -0.081 1
1 172 . 4 1 1 A 27 27 LEU H H 27 8.363 8.474 -0.111 1
1 173 . 4 1 1 A 27 27 LEU HA H 27 3.643 3.931 -0.288 1
1 183 . 4 1 1 A 28 28 ASN H H 28 7.698 8.372 -0.674 1
1 184 . 4 1 1 A 28 28 ASN HA H 28 4.285 4.332 -0.047 1
1 187 . 4 1 1 A 29 29 VAL H H 29 7.471 7.847 -0.376 1
1 188 . 4 1 1 A 29 29 VAL HA H 29 3.771 3.802 -0.031 1
1 8 . 5 1 1 A 2 2 PHE H H 2 8.049 7.603 0.446 1
1 9 . 5 1 1 A 2 2 PHE HA H 2 4.745 4.506 0.239 1
1 18 . 5 1 1 A 4 4 PRO HA H 4 4.386 4.639 -0.253 1
1 23 . 5 1 1 A 5 5 THR H H 5 8.402 8.645 -0.243 1
1 24 . 5 1 1 A 5 5 THR HA H 5 4.339 5.057 -0.718 1
1 27 . 5 1 1 A 6 6 PRO HA H 6 3.810 4.509 -0.699 1
1 34 . 5 1 1 A 7 7 PRO HA H 7 4.236 4.571 -0.335 1
1 41 . 5 1 1 A 8 8 GLY H H 8 8.174 8.735 -0.561 1
1 42 . 5 1 1 A 8 8 GLY HA2 H 8 3.849 4.055 -0.206 1
1 43 . 5 1 1 A 8 8 GLY HA3 H 8 3.771 4.059 -0.288 1
1 44 . 5 1 1 A 9 9 GLU H H 9 8.338 8.669 -0.331 1
1 45 . 5 1 1 A 9 9 GLU HA H 9 3.877 3.953 -0.076 1
1 50 . 5 1 1 A 10 10 GLU H H 10 8.643 8.257 0.386 1
1 51 . 5 1 1 A 10 10 GLU HA H 10 4.129 4.340 -0.211 1
1 54 . 5 1 1 A 11 11 ALA H H 11 7.382 7.513 -0.131 1
1 55 . 5 1 1 A 11 11 ALA HA H 11 4.293 4.379 -0.086 1
1 59 . 5 1 1 A 12 12 PRO HA H 12 4.447 4.562 -0.115 1
1 66 . 5 1 1 A 13 13 VAL H H 13 8.549 8.571 -0.022 1
1 67 . 5 1 1 A 13 13 VAL HA H 13 3.674 3.751 -0.077 1
1 75 . 5 1 1 A 14 14 GLU H H 14 9.063 8.255 0.808 1
1 76 . 5 1 1 A 14 14 GLU HA H 14 3.896 4.008 -0.112 1
1 81 . 5 1 1 A 15 15 ASP H H 15 7.588 7.919 -0.331 1
1 82 . 5 1 1 A 15 15 ASP HA H 15 4.439 4.500 -0.061 1
1 85 . 5 1 1 A 16 16 LEU H H 16 7.593 7.884 -0.291 1
1 86 . 5 1 1 A 16 16 LEU HA H 16 4.033 4.165 -0.132 1
1 96 . 5 1 1 A 17 17 ILE H H 17 8.252 7.933 0.319 1
1 97 . 5 1 1 A 17 17 ILE HA H 17 3.592 3.662 -0.070 1
1 107 . 5 1 1 A 18 18 ARG H H 18 7.499 8.264 -0.765 1
1 108 . 5 1 1 A 18 18 ARG HA H 18 4.002 4.120 -0.118 1
1 116 . 5 1 1 A 19 19 PHE H H 19 7.849 8.174 -0.325 1
1 117 . 5 1 1 A 19 19 PHE HA H 19 4.330 4.296 0.034 1
1 124 . 5 1 1 A 20 20 TYR H H 20 8.496 8.121 0.375 1
1 125 . 5 1 1 A 20 20 TYR HA H 20 3.744 4.242 -0.498 1
1 132 . 5 1 1 A 21 21 ASN H H 21 8.174 8.484 -0.310 1
1 133 . 5 1 1 A 21 21 ASN HA H 21 4.231 4.364 -0.133 1
1 137 . 5 1 1 A 22 22 ASP H H 22 8.464 8.210 0.254 1
1 138 . 5 1 1 A 22 22 ASP HA H 22 4.268 4.298 -0.030 1
1 141 . 5 1 1 A 23 23 LEU H H 23 8.838 7.510 1.328 1
1 142 . 5 1 1 A 23 23 LEU HA H 23 3.744 4.048 -0.304 1
1 152 . 5 1 1 A 24 24 GLN H H 24 8.114 7.796 0.318 1
1 153 . 5 1 1 A 24 24 GLN HA H 24 3.478 3.766 -0.288 1
1 158 . 5 1 1 A 25 25 GLN H H 25 7.534 7.542 -0.008 1
1 159 . 5 1 1 A 25 25 GLN HA H 25 3.904 4.062 -0.158 1
1 164 . 5 1 1 A 26 26 TYR H H 26 7.784 8.024 -0.240 1
1 165 . 5 1 1 A 26 26 TYR HA H 26 4.049 4.210 -0.161 1
1 172 . 5 1 1 A 27 27 LEU H H 27 8.363 8.220 0.143 1
1 173 . 5 1 1 A 27 27 LEU HA H 27 3.643 3.487 0.156 1
1 183 . 5 1 1 A 28 28 ASN H H 28 7.698 8.720 -1.022 1
1 184 . 5 1 1 A 28 28 ASN HA H 28 4.285 4.300 -0.015 1
1 187 . 5 1 1 A 29 29 VAL H H 29 7.471 7.562 -0.091 1
1 188 . 5 1 1 A 29 29 VAL HA H 29 3.771 3.842 -0.071 1
1 8 . 6 1 1 A 2 2 PHE H H 2 8.049 8.875 -0.826 1
1 9 . 6 1 1 A 2 2 PHE HA H 2 4.745 5.404 -0.659 1
1 18 . 6 1 1 A 4 4 PRO HA H 4 4.386 4.447 -0.061 1
1 23 . 6 1 1 A 5 5 THR H H 5 8.402 8.714 -0.312 1
1 24 . 6 1 1 A 5 5 THR HA H 5 4.339 4.964 -0.625 1
1 27 . 6 1 1 A 6 6 PRO HA H 6 3.810 4.586 -0.776 1
1 34 . 6 1 1 A 7 7 PRO HA H 7 4.236 4.293 -0.057 1
1 41 . 6 1 1 A 8 8 GLY H H 8 8.174 8.646 -0.472 1
1 42 . 6 1 1 A 8 8 GLY HA2 H 8 3.849 4.027 -0.178 1
1 43 . 6 1 1 A 8 8 GLY HA3 H 8 3.771 4.028 -0.257 1
1 44 . 6 1 1 A 9 9 GLU H H 9 8.338 8.680 -0.342 1
1 45 . 6 1 1 A 9 9 GLU HA H 9 3.877 3.926 -0.049 1
1 50 . 6 1 1 A 10 10 GLU H H 10 8.643 7.874 0.769 1
1 51 . 6 1 1 A 10 10 GLU HA H 10 4.129 4.196 -0.067 1
1 54 . 6 1 1 A 11 11 ALA H H 11 7.382 7.699 -0.317 1
1 55 . 6 1 1 A 11 11 ALA HA H 11 4.293 4.379 -0.086 1
1 59 . 6 1 1 A 12 12 PRO HA H 12 4.447 4.495 -0.048 1
1 66 . 6 1 1 A 13 13 VAL H H 13 8.549 8.858 -0.309 1
1 67 . 6 1 1 A 13 13 VAL HA H 13 3.674 3.918 -0.244 1
1 75 . 6 1 1 A 14 14 GLU H H 14 9.063 8.357 0.706 1
1 76 . 6 1 1 A 14 14 GLU HA H 14 3.896 4.018 -0.122 1
1 81 . 6 1 1 A 15 15 ASP H H 15 7.588 8.130 -0.542 1
1 82 . 6 1 1 A 15 15 ASP HA H 15 4.439 4.407 0.032 1
1 85 . 6 1 1 A 16 16 LEU H H 16 7.593 7.737 -0.144 1
1 86 . 6 1 1 A 16 16 LEU HA H 16 4.033 4.036 -0.003 1
1 96 . 6 1 1 A 17 17 ILE H H 17 8.252 8.057 0.195 1
1 97 . 6 1 1 A 17 17 ILE HA H 17 3.592 3.548 0.044 1
1 107 . 6 1 1 A 18 18 ARG H H 18 7.499 8.084 -0.585 1
1 108 . 6 1 1 A 18 18 ARG HA H 18 4.002 4.348 -0.346 1
1 116 . 6 1 1 A 19 19 PHE H H 19 7.849 8.387 -0.538 1
1 117 . 6 1 1 A 19 19 PHE HA H 19 4.330 4.240 0.090 1
1 124 . 6 1 1 A 20 20 TYR H H 20 8.496 8.733 -0.237 1
1 125 . 6 1 1 A 20 20 TYR HA H 20 3.744 4.265 -0.521 1
1 132 . 6 1 1 A 21 21 ASN H H 21 8.174 8.403 -0.229 1
1 133 . 6 1 1 A 21 21 ASN HA H 21 4.231 4.420 -0.189 1
1 137 . 6 1 1 A 22 22 ASP H H 22 8.464 7.991 0.473 1
1 138 . 6 1 1 A 22 22 ASP HA H 22 4.268 4.455 -0.187 1
1 141 . 6 1 1 A 23 23 LEU H H 23 8.838 8.757 0.081 1
1 142 . 6 1 1 A 23 23 LEU HA H 23 3.744 4.038 -0.294 1
1 152 . 6 1 1 A 24 24 GLN H H 24 8.114 8.333 -0.219 1
1 153 . 6 1 1 A 24 24 GLN HA H 24 3.478 3.817 -0.339 1
1 158 . 6 1 1 A 25 25 GLN H H 25 7.534 7.672 -0.138 1
1 159 . 6 1 1 A 25 25 GLN HA H 25 3.904 4.060 -0.156 1
1 164 . 6 1 1 A 26 26 TYR H H 26 7.784 8.002 -0.218 1
1 165 . 6 1 1 A 26 26 TYR HA H 26 4.049 4.224 -0.175 1
1 172 . 6 1 1 A 27 27 LEU H H 27 8.363 8.802 -0.439 1
1 173 . 6 1 1 A 27 27 LEU HA H 27 3.643 3.790 -0.147 1
1 183 . 6 1 1 A 28 28 ASN H H 28 7.698 7.978 -0.280 1
1 184 . 6 1 1 A 28 28 ASN HA H 28 4.285 4.487 -0.202 1
1 187 . 6 1 1 A 29 29 VAL H H 29 7.471 8.897 -1.426 1
1 188 . 6 1 1 A 29 29 VAL HA H 29 3.771 3.477 0.294 1
1 8 . 7 1 1 A 2 2 PHE H H 2 8.049 7.845 0.204 1
1 9 . 7 1 1 A 2 2 PHE HA H 2 4.745 5.195 -0.450 1
1 18 . 7 1 1 A 4 4 PRO HA H 4 4.386 4.494 -0.108 1
1 23 . 7 1 1 A 5 5 THR H H 5 8.402 8.474 -0.072 1
1 24 . 7 1 1 A 5 5 THR HA H 5 4.339 4.972 -0.633 1
1 27 . 7 1 1 A 6 6 PRO HA H 6 3.810 4.629 -0.819 1
1 34 . 7 1 1 A 7 7 PRO HA H 7 4.236 4.556 -0.320 1
1 41 . 7 1 1 A 8 8 GLY H H 8 8.174 8.537 -0.363 1
1 42 . 7 1 1 A 8 8 GLY HA2 H 8 3.849 4.036 -0.187 1
1 43 . 7 1 1 A 8 8 GLY HA3 H 8 3.771 4.046 -0.275 1
1 44 . 7 1 1 A 9 9 GLU H H 9 8.338 8.733 -0.395 1
1 45 . 7 1 1 A 9 9 GLU HA H 9 3.877 3.924 -0.047 1
1 50 . 7 1 1 A 10 10 GLU H H 10 8.643 7.838 0.805 1
1 51 . 7 1 1 A 10 10 GLU HA H 10 4.129 4.201 -0.072 1
1 54 . 7 1 1 A 11 11 ALA H H 11 7.382 7.590 -0.208 1
1 55 . 7 1 1 A 11 11 ALA HA H 11 4.293 4.260 0.033 1
1 59 . 7 1 1 A 12 12 PRO HA H 12 4.447 4.563 -0.116 1
1 66 . 7 1 1 A 13 13 VAL H H 13 8.549 8.569 -0.020 1
1 67 . 7 1 1 A 13 13 VAL HA H 13 3.674 3.758 -0.084 1
1 75 . 7 1 1 A 14 14 GLU H H 14 9.063 8.379 0.684 1
1 76 . 7 1 1 A 14 14 GLU HA H 14 3.896 4.026 -0.130 1
1 81 . 7 1 1 A 15 15 ASP H H 15 7.588 7.894 -0.306 1
1 82 . 7 1 1 A 15 15 ASP HA H 15 4.439 4.521 -0.082 1
1 85 . 7 1 1 A 16 16 LEU H H 16 7.593 7.380 0.213 1
1 86 . 7 1 1 A 16 16 LEU HA H 16 4.033 4.148 -0.115 1
1 96 . 7 1 1 A 17 17 ILE H H 17 8.252 8.162 0.090 1
1 97 . 7 1 1 A 17 17 ILE HA H 17 3.592 3.571 0.021 1
1 107 . 7 1 1 A 18 18 ARG H H 18 7.499 8.024 -0.525 1
1 108 . 7 1 1 A 18 18 ARG HA H 18 4.002 4.103 -0.101 1
1 116 . 7 1 1 A 19 19 PHE H H 19 7.849 8.135 -0.286 1
1 117 . 7 1 1 A 19 19 PHE HA H 19 4.330 4.236 0.094 1
1 124 . 7 1 1 A 20 20 TYR H H 20 8.496 8.193 0.303 1
1 125 . 7 1 1 A 20 20 TYR HA H 20 3.744 4.089 -0.345 1
1 132 . 7 1 1 A 21 21 ASN H H 21 8.174 8.375 -0.201 1
1 133 . 7 1 1 A 21 21 ASN HA H 21 4.231 4.343 -0.112 1
1 137 . 7 1 1 A 22 22 ASP H H 22 8.464 8.342 0.122 1
1 138 . 7 1 1 A 22 22 ASP HA H 22 4.268 4.377 -0.109 1
1 141 . 7 1 1 A 23 23 LEU H H 23 8.838 8.305 0.533 1
1 142 . 7 1 1 A 23 23 LEU HA H 23 3.744 3.750 -0.006 1
1 152 . 7 1 1 A 24 24 GLN H H 24 8.114 7.934 0.180 1
1 153 . 7 1 1 A 24 24 GLN HA H 24 3.478 3.749 -0.271 1
1 158 . 7 1 1 A 25 25 GLN H H 25 7.534 7.550 -0.016 1
1 159 . 7 1 1 A 25 25 GLN HA H 25 3.904 4.039 -0.135 1
1 164 . 7 1 1 A 26 26 TYR H H 26 7.784 8.040 -0.256 1
1 165 . 7 1 1 A 26 26 TYR HA H 26 4.049 4.109 -0.060 1
1 172 . 7 1 1 A 27 27 LEU H H 27 8.363 8.341 0.022 1
1 173 . 7 1 1 A 27 27 LEU HA H 27 3.643 3.792 -0.149 1
1 183 . 7 1 1 A 28 28 ASN H H 28 7.698 9.178 -1.480 1
1 184 . 7 1 1 A 28 28 ASN HA H 28 4.285 4.301 -0.016 1
1 187 . 7 1 1 A 29 29 VAL H H 29 7.471 7.512 -0.041 1
1 188 . 7 1 1 A 29 29 VAL HA H 29 3.771 3.812 -0.041 1
1 8 . 8 1 1 A 2 2 PHE H H 2 8.049 8.515 -0.466 1
1 9 . 8 1 1 A 2 2 PHE HA H 2 4.745 4.545 0.200 1
1 18 . 8 1 1 A 4 4 PRO HA H 4 4.386 4.519 -0.133 1
1 23 . 8 1 1 A 5 5 THR H H 5 8.402 8.686 -0.284 1
1 24 . 8 1 1 A 5 5 THR HA H 5 4.339 5.225 -0.886 1
1 27 . 8 1 1 A 6 6 PRO HA H 6 3.810 3.624 0.186 1
1 34 . 8 1 1 A 7 7 PRO HA H 7 4.236 4.338 -0.102 1
1 41 . 8 1 1 A 8 8 GLY H H 8 8.174 7.261 0.913 1
1 42 . 8 1 1 A 8 8 GLY HA2 H 8 3.849 4.010 -0.161 1
1 43 . 8 1 1 A 8 8 GLY HA3 H 8 3.771 4.018 -0.247 1
1 44 . 8 1 1 A 9 9 GLU H H 9 8.338 8.867 -0.529 1
1 45 . 8 1 1 A 9 9 GLU HA H 9 3.877 3.929 -0.052 1
1 50 . 8 1 1 A 10 10 GLU H H 10 8.643 8.153 0.490 1
1 51 . 8 1 1 A 10 10 GLU HA H 10 4.129 3.984 0.145 1
1 54 . 8 1 1 A 11 11 ALA H H 11 7.382 7.392 -0.010 1
1 55 . 8 1 1 A 11 11 ALA HA H 11 4.293 4.422 -0.129 1
1 59 . 8 1 1 A 12 12 PRO HA H 12 4.447 4.522 -0.075 1
1 66 . 8 1 1 A 13 13 VAL H H 13 8.549 8.855 -0.306 1
1 67 . 8 1 1 A 13 13 VAL HA H 13 3.674 3.898 -0.224 1
1 75 . 8 1 1 A 14 14 GLU H H 14 9.063 8.292 0.771 1
1 76 . 8 1 1 A 14 14 GLU HA H 14 3.896 4.011 -0.115 1
1 81 . 8 1 1 A 15 15 ASP H H 15 7.588 8.083 -0.495 1
1 82 . 8 1 1 A 15 15 ASP HA H 15 4.439 4.437 0.002 1
1 85 . 8 1 1 A 16 16 LEU H H 16 7.593 8.010 -0.417 1
1 86 . 8 1 1 A 16 16 LEU HA H 16 4.033 4.058 -0.025 1
1 96 . 8 1 1 A 17 17 ILE H H 17 8.252 8.002 0.250 1
1 97 . 8 1 1 A 17 17 ILE HA H 17 3.592 3.552 0.040 1
1 107 . 8 1 1 A 18 18 ARG H H 18 7.499 8.012 -0.513 1
1 108 . 8 1 1 A 18 18 ARG HA H 18 4.002 4.063 -0.061 1
1 116 . 8 1 1 A 19 19 PHE H H 19 7.849 8.588 -0.739 1
1 117 . 8 1 1 A 19 19 PHE HA H 19 4.330 4.312 0.018 1
1 124 . 8 1 1 A 20 20 TYR H H 20 8.496 8.600 -0.104 1
1 125 . 8 1 1 A 20 20 TYR HA H 20 3.744 4.288 -0.544 1
1 132 . 8 1 1 A 21 21 ASN H H 21 8.174 8.235 -0.061 1
1 133 . 8 1 1 A 21 21 ASN HA H 21 4.231 4.456 -0.225 1
1 137 . 8 1 1 A 22 22 ASP H H 22 8.464 7.795 0.669 1
1 138 . 8 1 1 A 22 22 ASP HA H 22 4.268 4.456 -0.188 1
1 141 . 8 1 1 A 23 23 LEU H H 23 8.838 8.591 0.247 1
1 142 . 8 1 1 A 23 23 LEU HA H 23 3.744 4.110 -0.366 1
1 152 . 8 1 1 A 24 24 GLN H H 24 8.114 8.204 -0.090 1
1 153 . 8 1 1 A 24 24 GLN HA H 24 3.478 3.776 -0.298 1
1 158 . 8 1 1 A 25 25 GLN H H 25 7.534 7.556 -0.022 1
1 159 . 8 1 1 A 25 25 GLN HA H 25 3.904 4.098 -0.194 1
1 164 . 8 1 1 A 26 26 TYR H H 26 7.784 8.180 -0.396 1
1 165 . 8 1 1 A 26 26 TYR HA H 26 4.049 4.223 -0.174 1
1 172 . 8 1 1 A 27 27 LEU H H 27 8.363 9.111 -0.748 1
1 173 . 8 1 1 A 27 27 LEU HA H 27 3.643 3.405 0.238 1
1 183 . 8 1 1 A 28 28 ASN H H 28 7.698 9.096 -1.398 1
1 184 . 8 1 1 A 28 28 ASN HA H 28 4.285 4.333 -0.048 1
1 187 . 8 1 1 A 29 29 VAL H H 29 7.471 7.690 -0.219 1
1 188 . 8 1 1 A 29 29 VAL HA H 29 3.771 3.864 -0.093 1
1 8 . 9 1 1 A 2 2 PHE H H 2 8.049 7.865 0.184 1
1 9 . 9 1 1 A 2 2 PHE HA H 2 4.745 4.556 0.189 1
1 18 . 9 1 1 A 4 4 PRO HA H 4 4.386 4.645 -0.259 1
1 23 . 9 1 1 A 5 5 THR H H 5 8.402 8.663 -0.261 1
1 24 . 9 1 1 A 5 5 THR HA H 5 4.339 5.066 -0.727 1
1 27 . 9 1 1 A 6 6 PRO HA H 6 3.810 3.900 -0.090 1
1 34 . 9 1 1 A 7 7 PRO HA H 7 4.236 4.545 -0.309 1
1 41 . 9 1 1 A 8 8 GLY H H 8 8.174 8.651 -0.477 1
1 42 . 9 1 1 A 8 8 GLY HA2 H 8 3.849 4.031 -0.182 1
1 43 . 9 1 1 A 8 8 GLY HA3 H 8 3.771 4.039 -0.268 1
1 44 . 9 1 1 A 9 9 GLU H H 9 8.338 8.772 -0.434 1
1 45 . 9 1 1 A 9 9 GLU HA H 9 3.877 3.910 -0.033 1
1 50 . 9 1 1 A 10 10 GLU H H 10 8.643 7.808 0.835 1
1 51 . 9 1 1 A 10 10 GLU HA H 10 4.129 4.302 -0.173 1
1 54 . 9 1 1 A 11 11 ALA H H 11 7.382 7.557 -0.175 1
1 55 . 9 1 1 A 11 11 ALA HA H 11 4.293 4.314 -0.021 1
1 59 . 9 1 1 A 12 12 PRO HA H 12 4.447 4.571 -0.124 1
1 66 . 9 1 1 A 13 13 VAL H H 13 8.549 8.859 -0.310 1
1 67 . 9 1 1 A 13 13 VAL HA H 13 3.674 3.944 -0.270 1
1 75 . 9 1 1 A 14 14 GLU H H 14 9.063 8.387 0.676 1
1 76 . 9 1 1 A 14 14 GLU HA H 14 3.896 4.026 -0.130 1
1 81 . 9 1 1 A 15 15 ASP H H 15 7.588 8.118 -0.530 1
1 82 . 9 1 1 A 15 15 ASP HA H 15 4.439 4.507 -0.068 1
1 85 . 9 1 1 A 16 16 LEU H H 16 7.593 8.093 -0.500 1
1 86 . 9 1 1 A 16 16 LEU HA H 16 4.033 4.156 -0.123 1
1 96 . 9 1 1 A 17 17 ILE H H 17 8.252 7.946 0.306 1
1 97 . 9 1 1 A 17 17 ILE HA H 17 3.592 3.611 -0.019 1
1 107 . 9 1 1 A 18 18 ARG H H 18 7.499 8.103 -0.604 1
1 108 . 9 1 1 A 18 18 ARG HA H 18 4.002 3.839 0.163 1
1 116 . 9 1 1 A 19 19 PHE H H 19 7.849 8.146 -0.297 1
1 117 . 9 1 1 A 19 19 PHE HA H 19 4.330 4.320 0.010 1
1 124 . 9 1 1 A 20 20 TYR H H 20 8.496 8.191 0.305 1
1 125 . 9 1 1 A 20 20 TYR HA H 20 3.744 4.127 -0.383 1
1 132 . 9 1 1 A 21 21 ASN H H 21 8.174 8.272 -0.098 1
1 133 . 9 1 1 A 21 21 ASN HA H 21 4.231 4.407 -0.176 1
1 137 . 9 1 1 A 22 22 ASP H H 22 8.464 8.086 0.378 1
1 138 . 9 1 1 A 22 22 ASP HA H 22 4.268 4.397 -0.129 1
1 141 . 9 1 1 A 23 23 LEU H H 23 8.838 7.468 1.370 1
1 142 . 9 1 1 A 23 23 LEU HA H 23 3.744 3.934 -0.190 1
1 152 . 9 1 1 A 24 24 GLN H H 24 8.114 7.829 0.285 1
1 153 . 9 1 1 A 24 24 GLN HA H 24 3.478 3.815 -0.337 1
1 158 . 9 1 1 A 25 25 GLN H H 25 7.534 7.752 -0.218 1
1 159 . 9 1 1 A 25 25 GLN HA H 25 3.904 4.075 -0.171 1
1 164 . 9 1 1 A 26 26 TYR H H 26 7.784 7.958 -0.174 1
1 165 . 9 1 1 A 26 26 TYR HA H 26 4.049 4.186 -0.137 1
1 172 . 9 1 1 A 27 27 LEU H H 27 8.363 8.610 -0.247 1
1 173 . 9 1 1 A 27 27 LEU HA H 27 3.643 3.961 -0.318 1
1 183 . 9 1 1 A 28 28 ASN H H 28 7.698 9.241 -1.543 1
1 184 . 9 1 1 A 28 28 ASN HA H 28 4.285 4.450 -0.165 1
1 187 . 9 1 1 A 29 29 VAL H H 29 7.471 7.571 -0.100 1
1 188 . 9 1 1 A 29 29 VAL HA H 29 3.771 3.821 -0.050 1
1 8 . 10 1 1 A 2 2 PHE H H 2 8.049 7.668 0.381 1
1 9 . 10 1 1 A 2 2 PHE HA H 2 4.745 4.368 0.377 1
1 18 . 10 1 1 A 4 4 PRO HA H 4 4.386 4.411 -0.025 1
1 23 . 10 1 1 A 5 5 THR H H 5 8.402 8.383 0.019 1
1 24 . 10 1 1 A 5 5 THR HA H 5 4.339 4.959 -0.620 1
1 27 . 10 1 1 A 6 6 PRO HA H 6 3.810 4.329 -0.519 1
1 34 . 10 1 1 A 7 7 PRO HA H 7 4.236 4.455 -0.219 1
1 41 . 10 1 1 A 8 8 GLY H H 8 8.174 7.293 0.881 1
1 42 . 10 1 1 A 8 8 GLY HA2 H 8 3.849 4.133 -0.284 1
1 43 . 10 1 1 A 8 8 GLY HA3 H 8 3.771 4.139 -0.368 1
1 44 . 10 1 1 A 9 9 GLU H H 9 8.338 8.831 -0.493 1
1 45 . 10 1 1 A 9 9 GLU HA H 9 3.877 3.914 -0.037 1
1 50 . 10 1 1 A 10 10 GLU H H 10 8.643 8.002 0.641 1
1 51 . 10 1 1 A 10 10 GLU HA H 10 4.129 4.042 0.087 1
1 54 . 10 1 1 A 11 11 ALA H H 11 7.382 7.540 -0.158 1
1 55 . 10 1 1 A 11 11 ALA HA H 11 4.293 4.323 -0.030 1
1 59 . 10 1 1 A 12 12 PRO HA H 12 4.447 4.563 -0.116 1
1 66 . 10 1 1 A 13 13 VAL H H 13 8.549 8.845 -0.296 1
1 67 . 10 1 1 A 13 13 VAL HA H 13 3.674 3.946 -0.272 1
1 75 . 10 1 1 A 14 14 GLU H H 14 9.063 8.279 0.784 1
1 76 . 10 1 1 A 14 14 GLU HA H 14 3.896 4.012 -0.116 1
1 81 . 10 1 1 A 15 15 ASP H H 15 7.588 8.139 -0.551 1
1 82 . 10 1 1 A 15 15 ASP HA H 15 4.439 4.522 -0.083 1
1 85 . 10 1 1 A 16 16 LEU H H 16 7.593 7.511 0.082 1
1 86 . 10 1 1 A 16 16 LEU HA H 16 4.033 4.151 -0.118 1
1 96 . 10 1 1 A 17 17 ILE H H 17 8.252 8.278 -0.026 1
1 97 . 10 1 1 A 17 17 ILE HA H 17 3.592 3.575 0.017 1
1 107 . 10 1 1 A 18 18 ARG H H 18 7.499 8.000 -0.501 1
1 108 . 10 1 1 A 18 18 ARG HA H 18 4.002 3.766 0.236 1
1 116 . 10 1 1 A 19 19 PHE H H 19 7.849 8.151 -0.302 1
1 117 . 10 1 1 A 19 19 PHE HA H 19 4.330 4.289 0.041 1
1 124 . 10 1 1 A 20 20 TYR H H 20 8.496 8.642 -0.146 1
1 125 . 10 1 1 A 20 20 TYR HA H 20 3.744 4.347 -0.603 1
1 132 . 10 1 1 A 21 21 ASN H H 21 8.174 8.766 -0.592 1
1 133 . 10 1 1 A 21 21 ASN HA H 21 4.231 4.509 -0.278 1
1 137 . 10 1 1 A 22 22 ASP H H 22 8.464 8.016 0.448 1
1 138 . 10 1 1 A 22 22 ASP HA H 22 4.268 4.400 -0.132 1
1 141 . 10 1 1 A 23 23 LEU H H 23 8.838 7.580 1.258 1
1 142 . 10 1 1 A 23 23 LEU HA H 23 3.744 4.139 -0.395 1
1 152 . 10 1 1 A 24 24 GLN H H 24 8.114 7.946 0.168 1
1 153 . 10 1 1 A 24 24 GLN HA H 24 3.478 3.810 -0.332 1
1 158 . 10 1 1 A 25 25 GLN H H 25 7.534 8.120 -0.586 1
1 159 . 10 1 1 A 25 25 GLN HA H 25 3.904 4.053 -0.149 1
1 164 . 10 1 1 A 26 26 TYR H H 26 7.784 8.134 -0.350 1
1 165 . 10 1 1 A 26 26 TYR HA H 26 4.049 4.214 -0.165 1
1 172 . 10 1 1 A 27 27 LEU H H 27 8.363 8.355 0.008 1
1 173 . 10 1 1 A 27 27 LEU HA H 27 3.643 3.491 0.152 1
1 183 . 10 1 1 A 28 28 ASN H H 28 7.698 8.656 -0.958 1
1 184 . 10 1 1 A 28 28 ASN HA H 28 4.285 4.305 -0.020 1
1 187 . 10 1 1 A 29 29 VAL H H 29 7.471 7.716 -0.245 1
1 188 . 10 1 1 A 29 29 VAL HA H 29 3.771 3.868 -0.097 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 23 0.530 1
5 1 1 1 "RMS(OBS, PRED)" HA 28 0.240 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 23 0.504 1
11 1 2 1 "RMS(OBS, PRED)" HA 28 0.236 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 23 0.469 1
17 1 3 1 "RMS(OBS, PRED)" HA 28 0.289 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 23 0.559 1
23 1 4 1 "RMS(OBS, PRED)" HA 28 0.263 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 23 0.513 1
29 1 5 1 "RMS(OBS, PRED)" HA 28 0.273 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 23 0.529 1
35 1 6 1 "RMS(OBS, PRED)" HA 28 0.304 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 23 0.463 1
41 1 7 1 "RMS(OBS, PRED)" HA 28 0.261 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 23 0.559 1
47 1 8 1 "RMS(OBS, PRED)" HA 28 0.260 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 23 0.588 1
53 1 9 1 "RMS(OBS, PRED)" HA 28 0.239 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 23 0.547 1
59 1 10 1 "RMS(OBS, PRED)" HA 28 0.276 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 8 . 1 1 A 2 2 PHE H H 2 8.049 8.280 -0.231 2
1 9 . 1 1 A 2 2 PHE HA H 2 4.745 4.737 0.008 2
1 18 . 1 1 A 4 4 PRO HA H 4 4.386 4.533 -0.147 2
1 23 . 1 1 A 5 5 THR H H 5 8.402 8.554 -0.152 2
1 24 . 1 1 A 5 5 THR HA H 5 4.339 5.023 -0.684 2
1 27 . 1 1 A 6 6 PRO HA H 6 3.810 4.210 -0.401 2
1 34 . 1 1 A 7 7 PRO HA H 7 4.236 4.458 -0.222 2
1 41 . 1 1 A 8 8 GLY H H 8 8.174 8.127 0.047 2
1 42 . 1 1 A 8 8 GLY HA2 H 8 3.849 4.037 -0.188 2
1 43 . 1 1 A 8 8 GLY HA3 H 8 3.771 4.046 -0.275 2
1 44 . 1 1 A 9 9 GLU H H 9 8.338 8.790 -0.452 2
1 45 . 1 1 A 9 9 GLU HA H 9 3.877 3.921 -0.044 2
1 50 . 1 1 A 10 10 GLU H H 10 8.643 7.948 0.695 2
1 51 . 1 1 A 10 10 GLU HA H 10 4.129 4.179 -0.050 2
1 54 . 1 1 A 11 11 ALA H H 11 7.382 7.584 -0.202 2
1 55 . 1 1 A 11 11 ALA HA H 11 4.293 4.356 -0.063 2
1 59 . 1 1 A 12 12 PRO HA H 12 4.447 4.556 -0.108 2
1 66 . 1 1 A 13 13 VAL H H 13 8.549 8.775 -0.226 2
1 67 . 1 1 A 13 13 VAL HA H 13 3.674 3.878 -0.204 2
1 75 . 1 1 A 14 14 GLU H H 14 9.063 8.342 0.721 2
1 76 . 1 1 A 14 14 GLU HA H 14 3.896 4.018 -0.122 2
1 81 . 1 1 A 15 15 ASP H H 15 7.588 8.083 -0.495 2
1 82 . 1 1 A 15 15 ASP HA H 15 4.439 4.481 -0.042 2
1 85 . 1 1 A 16 16 LEU H H 16 7.593 7.716 -0.123 2
1 86 . 1 1 A 16 16 LEU HA H 16 4.033 4.130 -0.097 2
1 96 . 1 1 A 17 17 ILE H H 17 8.252 8.030 0.222 2
1 97 . 1 1 A 17 17 ILE HA H 17 3.592 3.584 0.008 2
1 107 . 1 1 A 18 18 ARG H H 18 7.499 8.058 -0.559 2
1 108 . 1 1 A 18 18 ARG HA H 18 4.002 3.972 0.030 2
1 116 . 1 1 A 19 19 PHE H H 19 7.849 8.205 -0.356 2
1 117 . 1 1 A 19 19 PHE HA H 19 4.330 4.287 0.043 2
1 124 . 1 1 A 20 20 TYR H H 20 8.496 8.367 0.129 2
1 125 . 1 1 A 20 20 TYR HA H 20 3.744 4.206 -0.462 2
1 132 . 1 1 A 21 21 ASN H H 21 8.174 8.427 -0.253 2
1 133 . 1 1 A 21 21 ASN HA H 21 4.231 4.335 -0.104 2
1 137 . 1 1 A 22 22 ASP H H 22 8.464 8.045 0.419 2
1 138 . 1 1 A 22 22 ASP HA H 22 4.268 4.388 -0.120 2
1 141 . 1 1 A 23 23 LEU H H 23 8.838 7.935 0.903 2
1 142 . 1 1 A 23 23 LEU HA H 23 3.744 3.962 -0.218 2
1 152 . 1 1 A 24 24 GLN H H 24 8.114 8.027 0.087 2
1 153 . 1 1 A 24 24 GLN HA H 24 3.478 3.786 -0.308 2
1 158 . 1 1 A 25 25 GLN H H 25 7.534 7.671 -0.137 2
1 159 . 1 1 A 25 25 GLN HA H 25 3.904 4.057 -0.153 2
1 164 . 1 1 A 26 26 TYR H H 26 7.784 7.981 -0.197 2
1 165 . 1 1 A 26 26 TYR HA H 26 4.049 4.179 -0.130 2
1 172 . 1 1 A 27 27 LEU H H 27 8.363 8.471 -0.108 2
1 173 . 1 1 A 27 27 LEU HA H 27 3.643 3.724 -0.081 2
1 183 . 1 1 A 28 28 ASN H H 28 7.698 8.519 -0.821 2
1 184 . 1 1 A 28 28 ASN HA H 28 4.285 4.390 -0.105 2
1 187 . 1 1 A 29 29 VAL H H 29 7.471 7.904 -0.433 2
1 188 . 1 1 A 29 29 VAL HA H 29 3.771 3.757 0.014 2
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