data_nef_c16094_2kcr save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 7 CYS SG 1 57 CYS SG 1 32 CYS SG 1 53 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 PRO start . false 2 A 2 ALA middle . . 3 A 3 GLN middle . . 4 A 4 ASP middle . . 5 A 5 TYR middle . . 6 A 6 ARG middle . . 7 A 7 CYS middle -HG . 8 A 8 GLN middle . . 9 A 9 LEU middle . . 10 A 10 SER middle . . 11 A 11 ARG middle . . 12 A 12 ASN middle . . 13 A 13 TYR middle . . 14 A 14 GLY middle . false 15 A 15 LYS middle . . 16 A 16 GLY middle . false 17 A 17 SER middle . . 18 A 18 GLY middle . false 19 A 19 SER middle . . 20 A 20 PHE middle . . 21 A 21 THR middle . . 22 A 22 ASN middle . . 23 A 23 TYR middle . . 24 A 24 TYR middle . . 25 A 25 TYR middle . . 26 A 26 ASP middle . . 27 A 27 LYS middle . . 28 A 28 ALA middle . . 29 A 29 THR middle . . 30 A 30 SER middle . . 31 A 31 SER middle . . 32 A 32 CYS middle -HG . 33 A 33 LYS middle . . 34 A 34 THR middle . . 35 A 35 PHE middle . . 36 A 36 ARG middle . . 37 A 37 TYR middle . . 38 A 38 ARG middle . . 39 A 39 GLY middle . false 40 A 40 SER middle . . 41 A 41 GLY middle . false 42 A 42 GLY middle . false 43 A 43 ASN middle . . 44 A 44 GLY middle . false 45 A 45 ASN middle . . 46 A 46 ARG middle . . 47 A 47 PHE middle . . 48 A 48 LYS middle . . 49 A 49 THR middle . . 50 A 50 LEU middle . . 51 A 51 GLU middle . . 52 A 52 ASP middle . . 53 A 53 CYS middle -HG . 54 A 54 GLU middle . . 55 A 55 ALA middle . . 56 A 56 THR middle . . 57 A 57 CYS middle -HG . 58 A 58 VAL middle . . 59 A 59 THR middle . . 60 A 60 ALA middle . . 61 A 61 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PRO HA H 1 4.361 0.000 A 1 PRO HB2 H 1 2.431 0.000 A 1 PRO HB3 H 1 2.431 0.000 A 1 PRO HDy H 1 3.420 0.000 A 1 PRO HDx H 1 3.368 0.000 A 1 PRO HG2 H 1 2.041 0.000 A 1 PRO HG3 H 1 2.041 0.000 A 3 GLN H H 1 8.469 0.000 A 3 GLN HA H 1 4.197 0.000 A 3 GLN HBy H 1 1.992 0.000 A 3 GLN HBx H 1 1.910 0.000 A 3 GLN HG2 H 1 2.330 0.000 A 3 GLN HG3 H 1 2.330 0.000 A 4 ASP H H 1 8.217 0.000 A 4 ASP HA H 1 4.433 0.000 A 4 ASP HBy H 1 2.865 0.000 A 4 ASP HBx H 1 2.608 0.000 A 5 TYR H H 1 8.698 0.000 A 5 TYR HA H 1 4.222 0.000 A 5 TYR HBy H 1 3.184 0.000 A 5 TYR HBx H 1 3.047 0.000 A 6 ARG H H 1 8.720 0.000 A 6 ARG HA H 1 3.419 0.000 A 6 ARG HBy H 1 1.571 0.000 A 6 ARG HBx H 1 1.519 0.000 A 6 ARG HD2 H 1 2.979 0.000 A 6 ARG HD3 H 1 2.979 0.000 A 6 ARG HGy H 1 1.187 0.000 A 6 ARG HGx H 1 1.085 0.000 A 7 CYS H H 1 7.509 0.000 A 7 CYS HA H 1 4.272 0.000 A 7 CYS HBy H 1 2.970 0.000 A 7 CYS HBx H 1 2.707 0.000 A 8 GLN H H 1 7.414 0.000 A 8 GLN HA H 1 4.377 0.000 A 8 GLN HB2 H 1 1.961 0.000 A 8 GLN HB3 H 1 1.961 0.000 A 8 GLN HG2 H 1 2.351 0.000 A 8 GLN HG3 H 1 2.351 0.000 A 9 LEU H H 1 7.127 0.000 A 9 LEU HA H 1 4.476 0.000 A 9 LEU HBy H 1 1.865 0.000 A 9 LEU HBx H 1 1.405 0.000 A 9 LEU HD1% H 1 0.925 0.000 A 9 LEU HD2% H 1 0.925 0.000 A 9 LEU HG H 1 1.596 0.000 A 10 SER H H 1 8.746 0.000 A 10 SER HA H 1 4.405 0.000 A 10 SER HBy H 1 3.890 0.000 A 10 SER HBx H 1 3.767 0.000 A 11 ARG H H 1 8.381 0.000 A 11 ARG HA H 1 3.595 0.000 A 11 ARG HBy H 1 0.896 0.000 A 11 ARG HBx H 1 0.508 0.000 A 11 ARG HDy H 1 2.066 0.000 A 11 ARG HDx H 1 1.639 0.000 A 11 ARG HGy H 1 -0.023 0.000 A 11 ARG HGx H 1 -0.416 0.000 A 12 ASN H H 1 8.316 0.000 A 12 ASN HA H 1 4.806 0.000 A 12 ASN HBy H 1 2.660 0.000 A 12 ASN HBx H 1 2.458 0.000 A 13 TYR H H 1 9.093 0.000 A 13 TYR HA H 1 4.865 0.000 A 13 TYR HBy H 1 3.170 0.000 A 13 TYR HBx H 1 2.880 0.000 A 14 GLY H H 1 7.990 0.000 A 14 GLY HAy H 1 4.010 0.000 A 14 GLY HAx H 1 3.477 0.000 A 15 LYS H H 1 8.697 0.000 A 15 LYS HA H 1 4.598 0.000 A 15 LYS HBy H 1 1.684 0.000 A 15 LYS HBx H 1 1.505 0.000 A 15 LYS HDy H 1 1.608 0.000 A 15 LYS HDx H 1 1.407 0.000 A 15 LYS HE2 H 1 2.936 0.000 A 15 LYS HE3 H 1 2.936 0.000 A 15 LYS HGy H 1 1.317 0.000 A 15 LYS HGx H 1 1.264 0.000 A 16 GLY H H 1 8.349 0.000 A 16 GLY HAy H 1 4.363 0.000 A 16 GLY HAx H 1 3.688 0.000 A 17 SER H H 1 8.579 0.000 A 17 SER HA H 1 4.650 0.000 A 17 SER HBy H 1 3.955 0.000 A 17 SER HBx H 1 3.816 0.000 A 18 GLY H H 1 8.200 0.000 A 18 GLY HAy H 1 3.923 0.000 A 18 GLY HAx H 1 3.341 0.000 A 19 SER H H 1 7.548 0.000 A 19 SER HA H 1 4.109 0.000 A 19 SER HBy H 1 3.548 0.000 A 19 SER HBx H 1 3.394 0.000 A 20 PHE H H 1 8.641 0.000 A 20 PHE HA H 1 4.708 0.000 A 20 PHE HBy H 1 3.158 0.000 A 20 PHE HBx H 1 2.904 0.000 A 21 THR H H 1 9.177 0.000 A 21 THR HA H 1 4.332 0.000 A 21 THR HB H 1 4.113 0.000 A 21 THR HG2% H 1 1.039 0.000 A 22 ASN H H 1 8.895 0.000 A 22 ASN HA H 1 5.008 0.000 A 22 ASN HBy H 1 2.769 0.000 A 22 ASN HBx H 1 1.725 0.000 A 22 ASN HD21 H 1 7.306 0.000 A 22 ASN HD22 H 1 6.922 0.000 A 23 TYR H H 1 9.428 0.000 A 23 TYR HA H 1 5.725 0.000 A 23 TYR HB2 H 1 2.733 0.000 A 23 TYR HB3 H 1 2.733 0.000 A 23 TYR HD1 H 1 6.682 0.000 A 23 TYR HD2 H 1 6.682 0.000 A 23 TYR HE1 H 1 6.796 0.000 A 23 TYR HE2 H 1 6.796 0.000 A 24 TYR H H 1 9.800 0.000 A 24 TYR HA H 1 5.141 0.000 A 24 TYR HB2 H 1 2.642 0.000 A 24 TYR HB3 H 1 2.642 0.000 A 24 TYR HD1 H 1 6.630 0.000 A 24 TYR HD2 H 1 6.630 0.000 A 24 TYR HE1 H 1 6.834 0.000 A 24 TYR HE2 H 1 6.834 0.000 A 25 TYR H H 1 10.492 0.000 A 25 TYR HA H 1 4.394 0.000 A 25 TYR HBy H 1 3.109 0.000 A 25 TYR HBx H 1 2.788 0.000 A 25 TYR HD1 H 1 6.946 0.000 A 25 TYR HD2 H 1 6.946 0.000 A 25 TYR HE1 H 1 7.177 0.000 A 25 TYR HE2 H 1 7.177 0.000 A 26 ASP H H 1 8.656 0.000 A 26 ASP HA H 1 4.524 0.000 A 26 ASP HBy H 1 2.818 0.000 A 26 ASP HBx H 1 1.873 0.000 A 27 LYS H H 1 8.314 0.000 A 27 LYS HA H 1 3.710 0.000 A 27 LYS HBy H 1 1.986 0.000 A 27 LYS HBx H 1 1.860 0.000 A 27 LYS HD2 H 1 1.762 0.000 A 27 LYS HD3 H 1 1.762 0.000 A 27 LYS HE2 H 1 3.046 0.000 A 27 LYS HE3 H 1 3.046 0.000 A 27 LYS HG2 H 1 1.538 0.000 A 27 LYS HG3 H 1 1.538 0.000 A 28 ALA H H 1 8.217 0.000 A 28 ALA HA H 1 4.140 0.000 A 28 ALA HB% H 1 1.524 0.000 A 29 THR H H 1 7.010 0.000 A 29 THR HA H 1 4.431 0.000 A 29 THR HG2% H 1 1.087 0.000 A 30 SER H H 1 7.756 0.000 A 30 SER HA H 1 3.872 0.000 A 30 SER HBy H 1 4.126 0.000 A 30 SER HBx H 1 4.026 0.000 A 31 SER H H 1 7.321 0.000 A 31 SER HA H 1 4.731 0.000 A 31 SER HBy H 1 3.714 0.000 A 31 SER HBx H 1 3.678 0.000 A 32 CYS H H 1 8.935 0.000 A 32 CYS HA H 1 5.431 0.000 A 32 CYS HBy H 1 3.406 0.000 A 32 CYS HBx H 1 2.533 0.000 A 33 LYS H H 1 8.848 0.000 A 33 LYS HA H 1 4.802 0.000 A 33 LYS HB2 H 1 1.230 0.000 A 33 LYS HB3 H 1 1.230 0.000 A 33 LYS HDy H 1 1.995 0.000 A 33 LYS HDx H 1 1.554 0.000 A 33 LYS HE2 H 1 2.902 0.000 A 33 LYS HE3 H 1 2.902 0.000 A 33 LYS HGy H 1 1.644 0.000 A 33 LYS HGx H 1 1.175 0.000 A 34 THR H H 1 8.172 0.000 A 34 THR HA H 1 5.027 0.000 A 34 THR HB H 1 3.992 0.000 A 34 THR HG2% H 1 0.750 0.000 A 35 PHE H H 1 9.298 0.000 A 35 PHE HA H 1 4.956 0.000 A 35 PHE HBy H 1 3.298 0.000 A 35 PHE HBx H 1 2.650 0.000 A 35 PHE HD1 H 1 7.068 0.000 A 35 PHE HD2 H 1 7.068 0.000 A 35 PHE HE1 H 1 7.308 0.000 A 35 PHE HE2 H 1 7.308 0.000 A 36 ARG H H 1 8.421 0.000 A 36 ARG HA H 1 4.509 0.000 A 36 ARG HBy H 1 1.744 0.000 A 36 ARG HBx H 1 1.507 0.000 A 36 ARG HD2 H 1 2.962 0.000 A 36 ARG HD3 H 1 2.962 0.000 A 36 ARG HGy H 1 1.373 0.000 A 36 ARG HGx H 1 1.324 0.000 A 37 TYR H H 1 8.675 0.000 A 37 TYR HA H 1 4.904 0.000 A 37 TYR HBy H 1 2.709 0.000 A 37 TYR HBx H 1 2.427 0.000 A 38 ARG H H 1 8.469 0.000 A 38 ARG HA H 1 4.293 0.000 A 38 ARG HBy H 1 1.851 0.000 A 38 ARG HBx H 1 1.777 0.000 A 38 ARG HD2 H 1 3.194 0.000 A 38 ARG HD3 H 1 3.194 0.000 A 38 ARG HG2 H 1 1.594 0.000 A 38 ARG HG3 H 1 1.594 0.000 A 39 GLY H H 1 8.696 0.000 A 40 SER H H 1 7.568 0.000 A 40 SER HA H 1 4.850 0.000 A 40 SER HBy H 1 3.743 0.000 A 40 SER HBx H 1 3.706 0.000 A 41 GLY H H 1 8.913 0.000 A 41 GLY HAy H 1 4.042 0.000 A 41 GLY HAx H 1 3.922 0.000 A 42 GLY H H 1 9.134 0.000 A 43 ASN H H 1 8.595 0.000 A 43 ASN HA H 1 4.540 0.000 A 43 ASN HB2 H 1 2.974 0.000 A 43 ASN HB3 H 1 2.974 0.000 A 45 ASN HB2 H 1 2.878 0.000 A 45 ASN HB3 H 1 2.878 0.000 A 46 ARG H H 1 7.194 0.000 A 46 ARG HA H 1 4.776 0.000 A 46 ARG HB2 H 1 1.458 0.000 A 46 ARG HB3 H 1 1.458 0.000 A 46 ARG HD2 H 1 3.074 0.000 A 46 ARG HD3 H 1 3.074 0.000 A 46 ARG HGy H 1 1.118 0.000 A 46 ARG HGx H 1 1.056 0.000 A 47 PHE H H 1 9.821 0.000 A 47 PHE HA H 1 4.958 0.000 A 47 PHE HBy H 1 3.300 0.000 A 47 PHE HBx H 1 2.888 0.000 A 47 PHE HD1 H 1 6.933 0.000 A 47 PHE HD2 H 1 6.933 0.000 A 47 PHE HE1 H 1 7.561 0.000 A 47 PHE HE2 H 1 7.561 0.000 A 48 LYS H H 1 9.851 0.000 A 48 LYS HA H 1 4.366 0.000 A 48 LYS HBy H 1 2.039 0.000 A 48 LYS HBx H 1 1.779 0.000 A 48 LYS HDy H 1 1.671 0.000 A 48 LYS HDx H 1 1.593 0.000 A 48 LYS HE2 H 1 3.052 0.000 A 48 LYS HE3 H 1 3.052 0.000 A 48 LYS HG2 H 1 1.365 0.000 A 48 LYS HG3 H 1 1.365 0.000 A 49 THR H H 1 7.212 0.000 A 49 THR HA H 1 4.654 0.000 A 49 THR HB H 1 4.491 0.000 A 49 THR HG2% H 1 1.216 0.000 A 50 LEU H H 1 8.060 0.000 A 50 LEU HA H 1 2.905 0.000 A 50 LEU HBy H 1 1.327 0.000 A 50 LEU HBx H 1 1.223 0.000 A 50 LEU HDx% H 1 0.801 0.000 A 50 LEU HDy% H 1 0.762 0.000 A 50 LEU HG H 1 1.179 0.000 A 51 GLU H H 1 8.924 0.000 A 51 GLU HA H 1 3.880 0.000 A 51 GLU HBy H 1 1.966 0.000 A 51 GLU HBx H 1 1.842 0.000 A 51 GLU HGy H 1 2.399 0.000 A 51 GLU HGx H 1 2.193 0.000 A 52 ASP H H 1 7.863 0.000 A 52 ASP HA H 1 4.357 0.000 A 52 ASP HBy H 1 2.810 0.000 A 52 ASP HBx H 1 2.748 0.000 A 53 CYS H H 1 7.044 0.000 A 53 CYS HA H 1 1.886 0.000 A 53 CYS HBy H 1 3.038 0.000 A 53 CYS HBx H 1 2.672 0.000 A 54 GLU H H 1 8.840 0.000 A 54 GLU HA H 1 3.634 0.000 A 54 GLU HBy H 1 2.507 0.000 A 54 GLU HBx H 1 1.838 0.000 A 54 GLU HG2 H 1 1.926 0.000 A 54 GLU HG3 H 1 1.926 0.000 A 55 ALA H H 1 8.292 0.000 A 55 ALA HA H 1 3.999 0.000 A 55 ALA HB% H 1 1.403 0.000 A 56 THR H H 1 7.184 0.000 A 56 THR HA H 1 3.924 0.000 A 56 THR HB H 1 3.724 0.000 A 56 THR HG2% H 1 1.194 0.000 A 57 CYS H H 1 7.658 0.000 A 57 CYS HA H 1 4.711 0.000 A 57 CYS HBy H 1 1.817 0.000 A 57 CYS HBx H 1 1.533 0.000 A 58 VAL H H 1 8.253 0.000 A 58 VAL HA H 1 4.138 0.000 A 58 VAL HB H 1 2.180 0.000 A 58 VAL HG1% H 1 0.964 0.000 A 58 VAL HG2% H 1 0.964 0.000 A 59 THR H H 1 8.143 0.000 A 59 THR HA H 1 4.272 0.000 A 59 THR HB H 1 4.172 0.000 A 59 THR HG2% H 1 1.089 0.000 A 60 ALA H H 1 8.074 0.000 A 60 ALA HA H 1 4.347 0.000 A 60 ALA HB% H 1 1.346 0.000 A 61 GLU H H 1 7.964 0.000 A 61 GLU HA H 1 4.086 0.000 A 61 GLU HBy H 1 2.019 0.000 A 61 GLU HBx H 1 1.866 0.000 A 61 GLU HGx H 1 2.024 0.000 A 61 GLU HGy H 1 2.196 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 22 ASN H A 35 PHE O 1.0 1.5 2.3 2 2 A 35 PHE O A 22 ASN N 1.0 2.5 3.3 3 3 A 23 TYR H A 47 PHE O 1.0 1.5 2.3 4 4 A 47 PHE O A 23 TYR N 1.0 2.5 3.3 5 5 A 24 TYR H A 33 LYS O 1.0 1.5 2.3 6 6 A 33 LYS O A 24 TYR N 1.0 2.5 3.3 7 7 A 26 ASP H A 31 SER O 1.0 1.5 2.3 8 8 A 31 SER O A 26 ASP N 1.0 2.5 3.3 9 9 A 31 SER H A 26 ASP O 1.0 1.5 2.3 10 10 A 26 ASP O A 31 SER N 1.0 2.5 3.3 11 11 A 33 LYS H A 24 TYR O 1.0 1.5 2.3 12 12 A 24 TYR O A 33 LYS N 1.0 2.5 3.3 13 13 A 35 PHE H A 22 ASN O 1.0 1.5 2.3 14 14 A 22 ASN O A 35 PHE N 1.0 2.5 3.3 15 15 A 47 PHE H A 23 TYR O 1.0 1.5 2.3 16 16 A 23 TYR O A 47 PHE N 1.0 2.5 3.3 17 17 A 53 CYS H A 49 THR O 1.0 1.5 2.3 18 18 A 49 THR O A 53 CYS N 1.0 2.5 3.3 19 19 A 54 GLU H A 50 LEU O 1.0 1.5 2.3 20 20 A 50 LEU O A 54 GLU N 1.0 2.5 3.3 21 21 A 55 ALA H A 51 GLU O 1.0 1.5 2.3 22 22 A 51 GLU O A 55 ALA N 1.0 2.5 3.3 23 23 A 56 THR H A 52 ASP O 1.0 1.5 2.3 24 24 A 52 ASP O A 56 THR N 1.0 2.5 3.3 25 25 A 57 CYS H A 53 CYS O 1.0 1.5 2.3 26 26 A 53 CYS O A 57 CYS N 1.0 2.5 3.3 27 27 A 58 VAL H A 54 GLU O 1.0 1.5 2.3 28 28 A 54 GLU O A 58 VAL N 1.0 2.5 3.3 29 29 A 59 THR H A 55 ALA O 1.0 1.5 2.3 30 30 A 55 ALA O A 59 THR N 1.0 2.5 3.3 31 31 A 60 ALA H A 56 THR O 1.0 1.5 2.3 32 32 A 56 THR O A 60 ALA N 1.0 2.5 3.3 33 33 A 61 GLU H A 57 CYS O 1.0 1.5 2.3 34 34 A 57 CYS O A 61 GLU N 1.0 2.5 3.3 stop_ save_