data_nef_c30778_7jhf 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 7JHF stop_ 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 12 LEU C 1 13 NH2 N 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 ILE start . . 2 A 2 PHE middle . . 3 A 3 GLY middle . false 4 A 4 THR middle . . 5 A 5 ILE middle . . 6 A 6 LEU middle . . 7 A 7 GLY middle . false 8 A 8 PHE middle . . 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 GLY middle . false 12 A 12 LEU middle -OXT . 13 A 13 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 ILE HA H 1 3.732 0.009 A 1 ILE HB H 1 1.891 0.008 A 1 ILE HD1% H 1 0.928 0.005 A 1 ILE HG1y H 1 1.391 0.014 A 1 ILE HG1x H 1 1.149 0.004 A 1 ILE HG2% H 1 0.937 0.007 A 1 ILE CA C 13 61.150 0.000 A 1 ILE CB C 13 39.641 0.000 A 1 ILE CD1 C 13 12.425 0.000 A 1 ILE CG1 C 13 26.582 0.007 A 1 ILE CG2 C 13 16.565 0.000 A 2 PHE HA H 1 4.635 0.000 A 2 PHE HBy H 1 3.187 0.005 A 2 PHE HBx H 1 3.117 0.008 A 2 PHE CA C 13 58.660 0.000 A 2 PHE CB C 13 39.445 0.004 A 3 GLY H H 1 8.360 0.013 A 3 GLY HAy H 1 3.962 0.006 A 3 GLY HAx H 1 3.825 0.012 A 3 GLY CA C 13 46.085 0.012 A 3 GLY N N 15 108.822 0.000 A 4 THR H H 1 7.737 0.008 A 4 THR HA H 1 4.289 0.013 A 4 THR HB H 1 4.281 0.007 A 4 THR HG2% H 1 1.245 0.006 A 4 THR CA C 13 63.069 0.000 A 4 THR CB C 13 70.133 0.000 A 4 THR CG2 C 13 21.444 0.000 A 4 THR N N 15 113.307 0.000 A 5 ILE H H 1 7.875 0.006 A 5 ILE HA H 1 4.068 0.005 A 5 ILE HB H 1 1.958 0.005 A 5 ILE HD1% H 1 0.894 0.005 A 5 ILE HG1y H 1 1.584 0.006 A 5 ILE HG1x H 1 1.293 0.004 A 5 ILE HG2% H 1 0.976 0.005 A 5 ILE CA C 13 63.403 0.000 A 5 ILE CB C 13 38.212 0.000 A 5 ILE CD1 C 13 12.960 0.000 A 5 ILE CG1 C 13 28.222 0.001 A 5 ILE CG2 C 13 16.952 0.000 A 5 ILE N N 15 121.083 0.000 A 6 LEU H H 1 7.732 0.007 A 6 LEU HA H 1 4.108 0.008 A 6 LEU HBy H 1 1.661 0.006 A 6 LEU HBx H 1 1.557 0.006 A 6 LEU HDx% H 1 0.936 0.010 A 6 LEU HDy% H 1 0.889 0.006 A 6 LEU HG H 1 1.657 0.002 A 6 LEU CA C 13 57.858 0.000 A 6 LEU CB C 13 41.562 0.004 A 6 LEU CDy C 13 24.083 0.000 A 6 LEU CDx C 13 23.074 0.000 A 6 LEU CG C 13 27.057 0.000 A 6 LEU N N 15 120.238 0.000 A 7 GLY H H 1 7.955 0.006 A 7 GLY HAy H 1 3.838 0.008 A 7 GLY HAx H 1 3.749 0.011 A 7 GLY CA C 13 46.844 0.001 A 7 GLY N N 15 104.800 0.000 A 8 PHE H H 1 7.787 0.005 A 8 PHE HA H 1 4.429 0.007 A 8 PHE HBy H 1 3.277 0.005 A 8 PHE HBx H 1 3.219 0.004 A 8 PHE CA C 13 60.066 0.000 A 8 PHE CB C 13 38.992 0.008 A 8 PHE N N 15 121.458 0.000 A 9 LEU H H 1 8.233 0.004 A 9 LEU HA H 1 4.032 0.005 A 9 LEU HBy H 1 1.914 0.006 A 9 LEU HBx H 1 1.512 0.006 A 9 LEU HDx% H 1 0.909 0.011 A 9 LEU HDy% H 1 0.902 0.005 A 9 LEU HG H 1 1.915 0.007 A 9 LEU CA C 13 57.306 0.000 A 9 LEU CB C 13 41.845 0.006 A 9 LEU CDy C 13 24.996 0.000 A 9 LEU CDx C 13 21.973 0.000 A 9 LEU CG C 13 26.713 0.000 A 9 LEU N N 15 119.651 0.000 A 10 LYS H H 1 8.176 0.004 A 10 LYS HA H 1 4.117 0.004 A 10 LYS HBy H 1 1.910 0.004 A 10 LYS HBx H 1 1.689 0.007 A 10 LYS HDy H 1 1.541 0.016 A 10 LYS HDx H 1 1.531 0.012 A 10 LYS HEx H 1 2.975 0.005 A 10 LYS HEy H 1 2.975 0.005 A 10 LYS HGx H 1 1.501 0.012 A 10 LYS HGy H 1 1.501 0.012 A 10 LYS CA C 13 57.858 0.000 A 10 LYS CB C 13 32.324 0.000 A 10 LYS CD C 13 24.841 0.000 A 10 LYS CE C 13 42.071 0.000 A 10 LYS CG C 13 24.837 0.000 A 10 LYS N N 15 118.059 0.000 A 11 GLY H H 1 7.800 0.006 A 11 GLY HAy H 1 3.960 0.008 A 11 GLY HAx H 1 3.901 0.007 A 11 GLY CA C 13 45.688 0.011 A 11 GLY N N 15 106.463 0.000 A 12 LEU H H 1 7.629 0.004 A 12 LEU HA H 1 4.222 0.005 A 12 LEU HBy H 1 1.708 0.007 A 12 LEU HBx H 1 1.545 0.006 A 12 LEU HDx% H 1 0.843 0.007 A 12 LEU HDy% H 1 0.783 0.006 A 12 LEU HG H 1 1.622 0.006 A 12 LEU CA C 13 55.405 0.000 A 12 LEU CB C 13 42.445 0.000 A 12 LEU CDy C 13 24.842 0.000 A 12 LEU CDx C 13 22.437 0.000 A 12 LEU CG C 13 26.562 0.000 A 12 LEU N N 15 121.109 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 4 THR HB A 5 ILE H 1.0 . 4.31 2 2 A 4 THR HB A 4 THR H 1.0 . 4.00 3 3 A 8 PHE H A 8 PHE HBy 1.0 . 3.56 4 4 A 8 PHE H A 8 PHE HBx 1.0 . 3.56 5 5 A 5 ILE H A 5 ILE HB 1.0 . 3.35 6 6 A 5 ILE HB A 6 LEU H 1.0 . 4.07 7 7 A 7 GLY H A 6 LEU HBy 1.0 . 4.43 8 8 A 12 LEU H A 12 LEU HG 1.0 . 3.62 9 9 A 5 ILE H A 5 ILE HG1y 1.0 . 4.19 10 10 A 7 GLY H A 6 LEU HBx 1.0 . 4.43 11 11 A 5 ILE H A 5 ILE HG1x 1.0 . 4.19 12 12 A 4 THR H A 4 THR HG2% 1.0 . 4.04 13 13 A 5 ILE H A 5 ILE HG2% 1.0 . 4.11 14 14 A 6 LEU H A 5 ILE HG2% 1.0 . 4.38 15 15 A 8 PHE H A 9 LEU H 1.0 . 3.87 16 16 A 10 LYS H A 11 GLY H 1.0 . 3.93 17 17 A 4 THR HG2% A 4 THR HA 1.0 . 3.31 18 18 A 12 LEU HG A 12 LEU HA 1.0 . 4.01 19 19 A 12 LEU HA A 12 LEU HDx% 1.0 . 4.58 20 20 A 12 LEU HA A 12 LEU HDy% 1.0 . 4.58 21 21 A 6 LEU HA A 6 LEU HG 1.0 . 3.86 22 22 A 6 LEU HA A 6 LEU HDx% 1.0 . 3.83 23 23 A 6 LEU HA A 6 LEU HDy% 1.0 . 3.83 24 24 A 5 ILE HG2% A 5 ILE HA 1.0 . 3.58 25 25 A 9 LEU HA A 9 LEU HG 1.0 . 3.67 26 26 A 1 ILE HA A 1 ILE HD1% 1.0 . 5.31 27 27 A 5 ILE HA A 8 PHE HBy 1.0 . 4.04 28 28 A 5 ILE HA A 8 PHE HBx 1.0 . 4.04 29 29 A 5 ILE H A 5 ILE HG1y 1.0 . 3.62 30 29 A 5 ILE H A 5 ILE HG1x 1.0 . 3.62 31 30 A 6 LEU H A 6 LEU HBy 1.0 . 3.22 32 30 A 6 LEU H A 6 LEU HBx 1.0 . 3.22 33 31 A 6 LEU HA A 6 LEU HDx% 1.0 . 3.08 34 31 A 6 LEU HA A 6 LEU HDy% 1.0 . 3.08 35 32 A 6 LEU HDx% A 7 GLY HAy 1.0 . 4.47 36 32 A 6 LEU HDy% A 7 GLY HAy 1.0 . 4.47 37 32 A 7 GLY HAx A 6 LEU HDx% 1.0 . 4.47 38 32 A 6 LEU HDy% A 7 GLY HAx 1.0 . 4.47 39 33 A 9 LEU H A 8 PHE HBx 1.0 . 4.00 40 33 A 9 LEU H A 8 PHE HBy 1.0 . 4.00 41 34 A 9 LEU H A 9 LEU HBy 1.0 . 3.06 42 34 A 9 LEU H A 9 LEU HBx 1.0 . 3.06 43 35 A 9 LEU HA A 9 LEU HDx% 1.0 . 3.02 44 35 A 9 LEU HA A 9 LEU HDy% 1.0 . 3.02 45 36 A 10 LYS H A 9 LEU HBy 1.0 . 4.03 46 36 A 10 LYS H A 9 LEU HBx 1.0 . 4.03 47 37 A 10 LYS H A 10 LYS HBy 1.0 . 3.07 48 37 A 10 LYS H A 10 LYS HBx 1.0 . 3.07 49 38 A 11 GLY H A 10 LYS HBy 1.0 . 3.96 50 38 A 11 GLY H A 10 LYS HBx 1.0 . 3.96 51 39 A 12 LEU H A 12 LEU HBy 1.0 . 3.28 52 39 A 12 LEU H A 12 LEU HBx 1.0 . 3.28 53 40 A 12 LEU HA A 12 LEU HDx% 1.0 . 3.49 54 40 A 12 LEU HA A 12 LEU HDy% 1.0 . 3.49 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 7 GLY H A 3 GLY O 1.0 . 2.0 2 2 A 3 GLY O A 7 GLY N 1.0 . 3.0 3 3 A 8 PHE H A 4 THR O 1.0 . 2.0 4 4 A 4 THR O A 8 PHE N 1.0 . 3.0 5 5 A 11 GLY H A 7 GLY O 1.0 . 2.0 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 GLY C A 4 THR N A 4 THR CA A 4 THR C 1.0 -87.8 -47.8 PHI 2 2 A 4 THR N A 4 THR CA A 4 THR C A 5 ILE N 1.0 -55.0 -15.0 PSI 3 3 A 4 THR C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -84.9 -44.9 PHI 4 4 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 -61.2 -21.2 PSI 5 5 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -85.9 -45.9 PHI 6 6 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 GLY N 1.0 -59.4 -19.4 PSI 7 7 A 6 LEU C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 -84.9 -44.9 PHI 8 8 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 PHE N 1.0 -60.7 -20.7 PSI 9 9 A 7 GLY C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -85.0 -45.0 PHI 10 10 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 LEU N 1.0 -64.0 -24.0 PSI 11 11 A 8 PHE C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -84.9 -44.9 PHI 12 12 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LYS N 1.0 -54.8 -14.8 PSI 13 13 A 9 LEU C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -92.2 -52.2 PHI 14 14 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 GLY N 1.0 -38.6 1.5 PSI stop_ save_