data_nef_c30775_7jgx 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 7JGX 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 13 LEU C 1 14 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 TRP middle . . 4 A 4 LEU middle . . 5 A 5 PHE middle . . 6 A 6 ARG middle . . 7 A 7 GLY middle . false 8 A 8 LYS middle . . 9 A 9 ALA middle . . 10 A 10 ASP middle . . 11 A 11 VAL middle . . 12 A 12 ALA middle . . 13 A 13 LEU middle -OXT . 14 A 14 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 3.671 0.000 A 1 ILE HB H 1 1.827 0.003 A 1 ILE HD1% H 1 0.871 0.002 A 1 ILE HG1y H 1 1.406 0.007 A 1 ILE HG1x H 1 1.127 0.001 A 1 ILE HG2% H 1 0.803 0.004 A 1 ILE CA C 13 63.214 0.000 A 1 ILE CB C 13 42.049 0.000 A 1 ILE CD1 C 13 15.600 0.000 A 1 ILE CG1 C 13 29.471 0.014 A 1 ILE CG2 C 13 18.973 0.000 A 2 PHE HA H 1 4.691 0.000 A 2 PHE HBy H 1 3.091 0.004 A 2 PHE HBx H 1 3.028 0.003 A 2 PHE CA C 13 60.549 0.000 A 2 PHE CB C 13 42.263 0.005 A 3 TRP H H 1 7.705 0.001 A 3 TRP HA H 1 4.520 0.004 A 3 TRP HBx H 1 3.152 0.003 A 3 TRP HBy H 1 3.152 0.003 A 3 TRP CA C 13 60.397 0.000 A 3 TRP CB C 13 32.129 0.000 A 3 TRP N N 15 123.318 0.000 A 3 TRP NE1 N 15 128.394 0.000 A 4 LEU H H 1 6.973 0.001 A 4 LEU HA H 1 4.062 0.003 A 4 LEU HBy H 1 1.206 0.011 A 4 LEU HBx H 1 1.109 0.003 A 4 LEU HDx% H 1 0.793 0.003 A 4 LEU HDy% H 1 0.718 0.004 A 4 LEU HG H 1 1.190 0.013 A 4 LEU CA C 13 58.371 0.000 A 4 LEU CB C 13 45.252 0.006 A 4 LEU CDy C 13 26.698 0.000 A 4 LEU CDx C 13 26.072 0.000 A 4 LEU CG C 13 29.375 0.000 A 4 LEU N N 15 121.833 0.000 A 5 PHE H H 1 7.566 0.001 A 5 PHE HA H 1 4.600 0.005 A 5 PHE HBy H 1 3.211 0.006 A 5 PHE HBx H 1 2.968 0.003 A 5 PHE CA C 13 60.069 0.000 A 5 PHE CB C 13 41.825 0.016 A 5 PHE N N 15 117.929 0.000 A 6 ARG H H 1 7.998 0.002 A 6 ARG HA H 1 4.268 0.003 A 6 ARG HBy H 1 1.895 0.004 A 6 ARG HBx H 1 1.754 0.004 A 6 ARG HDx H 1 3.149 0.003 A 6 ARG HDy H 1 3.149 0.003 A 6 ARG HGx H 1 1.605 0.003 A 6 ARG HGy H 1 1.605 0.003 A 6 ARG CA C 13 59.213 0.000 A 6 ARG CB C 13 33.290 0.006 A 6 ARG CD C 13 46.016 0.000 A 6 ARG CG C 13 29.689 0.000 A 6 ARG N N 15 121.321 0.000 A 7 GLY H H 1 7.955 0.001 A 7 GLY HAy H 1 3.970 0.004 A 7 GLY HAx H 1 3.903 0.005 A 7 GLY CA C 13 48.019 0.012 A 7 GLY N N 15 108.423 0.000 A 8 LYS H H 1 8.030 0.001 A 8 LYS HA H 1 4.349 0.005 A 8 LYS HBy H 1 1.907 0.002 A 8 LYS HBx H 1 1.801 0.002 A 8 LYS HDx H 1 1.713 0.009 A 8 LYS HDy H 1 1.713 0.009 A 8 LYS HEx H 1 3.013 0.006 A 8 LYS HEy H 1 3.013 0.006 A 8 LYS HGx H 1 1.476 0.003 A 8 LYS HGy H 1 1.476 0.003 A 8 LYS CA C 13 59.324 0.000 A 8 LYS CB C 13 35.940 0.010 A 8 LYS CD C 13 31.795 0.000 A 8 LYS CE C 13 44.839 0.000 A 8 LYS CG C 13 27.395 0.000 A 8 LYS N N 15 120.272 0.000 A 9 ALA H H 1 8.210 0.001 A 9 ALA HA H 1 4.323 0.010 A 9 ALA HB% H 1 1.398 0.004 A 9 ALA CA C 13 55.583 0.000 A 9 ALA CB C 13 21.608 0.000 A 9 ALA N N 15 123.485 0.000 A 10 ASP H H 1 8.154 0.001 A 10 ASP HA H 1 4.622 0.005 A 10 ASP HBy H 1 2.726 0.023 A 10 ASP HBx H 1 2.702 0.003 A 10 ASP CA C 13 57.191 0.000 A 10 ASP CB C 13 43.312 0.002 A 10 ASP N N 15 118.008 0.000 A 11 VAL H H 1 7.793 0.001 A 11 VAL HA H 1 4.072 0.003 A 11 VAL HB H 1 2.140 0.003 A 11 VAL HGx% H 1 0.962 0.002 A 11 VAL HGy% H 1 0.962 0.002 A 11 VAL CA C 13 65.571 0.000 A 11 VAL CB C 13 35.421 0.000 A 11 VAL CGx C 13 23.521 0.000 A 11 VAL CGy C 13 23.521 0.000 A 11 VAL N N 15 118.837 0.000 A 12 ALA H H 1 8.113 0.002 A 12 ALA HA H 1 4.324 0.004 A 12 ALA HB% H 1 1.401 0.003 A 12 ALA CA C 13 55.583 0.000 A 12 ALA CB C 13 21.608 0.000 A 12 ALA N N 15 125.138 0.000 A 13 LEU H H 1 7.825 0.001 A 13 LEU HA H 1 4.322 0.005 A 13 LEU HBy H 1 1.703 0.005 A 13 LEU HBx H 1 1.628 0.003 A 13 LEU HDx% H 1 0.888 0.003 A 13 LEU HDy% H 1 0.888 0.003 A 13 LEU HG H 1 1.695 0.010 A 13 LEU CA C 13 57.691 0.000 A 13 LEU CB C 13 45.368 0.005 A 13 LEU CDx C 13 25.505 0.000 A 13 LEU CDy C 13 25.505 0.000 A 13 LEU CG C 13 29.732 0.000 A 13 LEU N N 15 119.912 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 12 ALA HA A 13 LEU H 1.0 . 3.45 2 2 A 11 VAL HB A 12 ALA H 1.0 . 4.52 3 3 A 11 VAL HB A 11 VAL H 1.0 . 3.82 4 4 A 13 LEU H A 13 LEU HG 1.0 . 4.41 5 5 A 6 ARG H A 6 ARG HGx 1.0 . 5.35 6 6 A 6 ARG H A 6 ARG HGy 1.0 . 5.35 7 7 A 8 LYS H A 8 LYS HGx 1.0 . 5.34 8 8 A 8 LYS H A 8 LYS HGy 1.0 . 5.34 9 9 A 12 ALA H A 12 ALA HB% 1.0 . 3.66 10 10 A 13 LEU H A 12 ALA HB% 1.0 . 4.55 11 11 A 9 ALA H A 9 ALA HB% 1.0 . 3.55 12 12 A 9 ALA HB% A 10 ASP H 1.0 . 4.51 13 13 A 4 LEU H A 4 LEU HG 1.0 . 4.32 14 14 A 12 ALA H A 11 VAL HGx% 1.0 . 5.47 15 15 A 12 ALA H A 11 VAL HGy% 1.0 . 5.47 16 16 A 11 VAL H A 11 VAL HGx% 1.0 . 4.58 17 17 A 11 VAL H A 11 VAL HGy% 1.0 . 4.58 18 18 A 13 LEU HA A 13 LEU HDx% 1.0 . 4.52 19 19 A 13 LEU HA A 13 LEU HDy% 1.0 . 4.52 20 20 A 11 VAL HA A 11 VAL HGx% 1.0 . 3.92 21 21 A 11 VAL HA A 11 VAL HGy% 1.0 . 3.92 22 22 A 4 LEU HA A 4 LEU HDx% 1.0 . 4.25 23 23 A 4 LEU HA A 4 LEU HDy% 1.0 . 4.25 24 24 A 6 ARG HA A 6 ARG HDx 1.0 . 5.39 25 25 A 6 ARG HA A 6 ARG HDy 1.0 . 5.39 26 26 A 4 LEU HA A 4 LEU HDy% 1.0 . 3.54 27 26 A 4 LEU HA A 4 LEU HDx% 1.0 . 3.54 28 27 A 5 PHE H A 5 PHE HBy 1.0 . 3.61 29 27 A 5 PHE H A 5 PHE HBx 1.0 . 3.61 30 28 A 6 ARG H A 6 ARG HBy 1.0 . 3.64 31 28 A 6 ARG H A 6 ARG HBx 1.0 . 3.64 32 29 A 6 ARG H A 6 ARG HGy 1.0 . 4.60 33 29 A 6 ARG H A 6 ARG HGx 1.0 . 4.60 34 30 A 6 ARG HA A 6 ARG HDy 1.0 . 4.61 35 30 A 6 ARG HA A 6 ARG HDx 1.0 . 4.61 36 31 A 8 LYS H A 8 LYS HBy 1.0 . 3.59 37 31 A 8 LYS H A 8 LYS HBx 1.0 . 3.59 38 32 A 8 LYS H A 8 LYS HGy 1.0 . 4.58 39 32 A 8 LYS H A 8 LYS HGx 1.0 . 4.58 40 33 A 10 ASP H A 10 ASP HBy 1.0 . 3.62 41 33 A 10 ASP H A 10 ASP HBx 1.0 . 3.62 42 34 A 11 VAL H A 11 VAL HGy% 1.0 . 3.97 43 34 A 11 VAL H A 11 VAL HGx% 1.0 . 3.97 44 35 A 12 ALA H A 11 VAL HGy% 1.0 . 4.64 45 35 A 12 ALA H A 11 VAL HGx% 1.0 . 4.64 46 36 A 13 LEU H A 13 LEU HBy 1.0 . 3.56 47 36 A 13 LEU H A 13 LEU HBx 1.0 . 3.56 48 37 A 13 LEU HA A 13 LEU HDy% 1.0 . 3.87 49 37 A 13 LEU HA A 13 LEU HDx% 1.0 . 3.87 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 5 PHE H A 1 ILE O 1.0 . 2.0 2 2 A 1 ILE O A 5 PHE N 1.0 . 3.0 3 3 A 6 ARG H A 2 PHE O 1.0 . 2.0 4 4 A 2 PHE O A 6 ARG N 1.0 . 3.0 5 5 A 10 ASP H A 6 ARG O 1.0 . 2.0 6 6 A 6 ARG O A 10 ASP N 1.0 . 3.0 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 1 ILE C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -83.4 -43.4 PHI 2 2 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 TRP N 1.0 -58.3 -18.3 PSI 3 3 A 2 PHE C A 3 TRP N A 3 TRP CA A 3 TRP C 1.0 -84.5 -44.5 PHI 4 4 A 3 TRP N A 3 TRP CA A 3 TRP C A 4 LEU N 1.0 -63.3 -23.3 PSI 5 5 A 3 TRP C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -86.1 -46.1 PHI 6 6 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 PHE N 1.0 -62.9 -22.9 PSI 7 7 A 4 LEU C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -85.8 -45.8 PHI 8 8 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 ARG N 1.0 -60.5 -20.5 PSI 9 9 A 5 PHE C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -84.7 -44.7 PHI 10 10 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 GLY N 1.0 -62.7 -22.7 PSI 11 11 A 6 ARG C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 -85.6 -45.6 PHI 12 12 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 LYS N 1.0 -59.9 -19.9 PSI 13 13 A 7 GLY C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -85.5 -45.5 PHI 14 14 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 ALA N 1.0 -59.6 -19.6 PSI 15 15 A 8 LYS C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -86.1 -46.1 PHI 16 16 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ASP N 1.0 -59.5 -19.5 PSI 17 17 A 9 ALA C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -85.0 -45.0 PHI 18 18 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 VAL N 1.0 -60.4 -20.4 PSI 19 19 A 10 ASP C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -84.0 -44.0 PHI 20 20 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 ALA N 1.0 -55.5 -15.5 PSI stop_ save_