data_nef_c19437_2mce 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_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 ASP start . . 2 A 2 ALA middle . . 3 A 3 GLY middle . false 4 A 4 HIS middle . . 5 A 5 GLY middle . false 6 A 6 GLN middle . . 7 A 7 ILE middle . . 8 A 8 SER middle . . 9 A 9 HIS middle . . 10 A 10 LYS middle . . 11 A 11 ARG middle . . 12 A 12 HIS middle . . 13 A 13 LYS middle . . 14 A 14 THR middle . . 15 A 15 ASP middle . . 16 A 16 SER middle . . 17 A 17 PHE middle . . 18 A 18 VAL middle . . 19 A 19 GLY middle . false 20 A 20 LEU middle . . 21 A 21 MET 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 ASP HA H 1 4.27 . A 1 ASP HBx H 1 2.88 . A 2 ALA H H 1 8.69 . A 2 ALA HA H 1 4.37 . A 2 ALA HB% H 1 1.40 . A 3 GLY H H 1 8.34 . A 3 GLY HAx H 1 3.90 . A 4 HIS H H 1 8.34 . A 4 HIS HA H 1 4.75 . A 4 HIS HBy H 1 3.36 . A 4 HIS HBx H 1 3.18 . A 4 HIS HE1 H 1 7.30 . A 5 GLY H H 1 8.52 . A 5 GLY HAx H 1 3.96 . A 6 GLN H H 1 8.28 . A 6 GLN HA H 1 4.37 . A 6 GLN HBx H 1 1.96 . A 6 GLN HBy H 1 2.07 . A 6 GLN HE2y H 1 6.83 . A 6 GLN HGx H 1 2.35 . A 7 ILE H H 1 8.23 . A 7 ILE HA H 1 4.17 . A 7 ILE HB H 1 1.85 . A 7 ILE HD1% H 1 0.84 . A 7 ILE HG1y H 1 1.43 . A 7 ILE HG1x H 1 1.19 . A 8 SER H H 1 8.30 . A 8 SER HA H 1 4.41 . A 8 SER HBx H 1 3.81 . A 9 HIS H H 1 8.55 . A 9 HIS HA H 1 4.74 . A 9 HIS HBy H 1 3.31 . A 9 HIS HBx H 1 3.15 . A 9 HIS HE1 H 1 7.27 . A 10 LYS H H 1 8.26 . A 10 LYS HA H 1 4.28 . A 10 LYS HBx H 1 1.76 . A 10 LYS HDx H 1 1.68 . A 10 LYS HEx H 1 2.98 . A 10 LYS HGx H 1 1.39 . A 10 LYS HZ1 H 1 7.59 . A 10 LYS HZ2 H 1 7.59 . A 10 LYS HZ3 H 1 7.59 . A 11 ARG H H 1 8.37 . A 11 ARG HA H 1 4.30 . A 11 ARG HBx H 1 1.76 . A 11 ARG HDx H 1 3.18 . A 11 ARG HE H 1 7.29 . A 11 ARG HGx H 1 1.63 . A 12 HIS H H 1 8.57 . A 12 HIS HA H 1 4.75 . A 12 HIS HBy H 1 3.30 . A 12 HIS HBx H 1 3.18 . A 12 HIS HD1 H 1 7.30 . A 13 LYS H H 1 8.65 . A 13 LYS HA H 1 4.34 . A 13 LYS HBx H 1 1.81 . A 13 LYS HDx H 1 1.69 . A 13 LYS HEx H 1 2.99 . A 13 LYS HGx H 1 1.46 . A 13 LYS HZ1 H 1 7.62 . A 13 LYS HZ2 H 1 7.62 . A 13 LYS HZ3 H 1 7.62 . A 14 THR H H 1 8.19 . A 14 THR HA H 1 4.30 . A 14 THR HB H 1 4.22 . A 14 THR HG2% H 1 1.21 . A 15 ASP H H 1 8.37 . A 15 ASP HA H 1 4.66 . A 15 ASP HBx H 1 2.80 . A 16 SER H H 1 8.09 . A 16 SER HA H 1 4.43 . A 16 SER HBy H 1 3.86 . A 16 SER HBx H 1 3.77 . A 17 PHE H H 1 8.52 . A 17 PHE HA H 1 4.45 . A 17 PHE HBx H 1 3.15 . A 17 PHE HZ H 1 7.21 . A 18 VAL H H 1 7.93 . A 18 VAL HA H 1 3.85 . A 18 VAL HB H 1 2.10 . A 18 VAL HGx% H 1 0.98 . A 19 GLY H H 1 8.22 . A 19 GLY HAx H 1 3.92 . A 20 LEU H H 1 7.85 . A 20 LEU HA H 1 4.22 . A 20 LEU HBy H 1 1.81 . A 20 LEU HBx H 1 1.60 . A 20 LEU HDx% H 1 0.90 . A 21 MET H H 1 7.84 . A 21 MET HA H 1 4.36 . A 21 MET HBx H 1 2.05 . A 21 MET HBy H 1 2.11 . A 21 MET HGy H 1 2.57 . A 21 MET HGx H 1 2.46 . stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 ASP C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -90.0 -70.0 PHI 2 2 A 2 ALA C A 3 GLY N A 3 GLY CA A 3 GLY C 1.0 -90.0 -70.0 PHI 3 3 A 3 GLY C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -85.0 -65.0 PHI 4 4 A 4 HIS C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 -85.0 -65.0 PHI 5 5 A 5 GLY C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -75.0 -55.0 PHI 6 6 A 6 GLN C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -85.0 -65.0 PHI 7 7 A 7 ILE C A 8 SER N A 8 SER CA A 8 SER C 1.0 -85.0 -65.0 PHI 8 8 A 8 SER C A 9 HIS N A 9 HIS CA A 9 HIS C 1.0 -85.0 -65.0 PHI 9 9 A 9 HIS C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -85.0 -65.0 PHI 10 10 A 10 LYS C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -85.0 -65.0 PHI 11 11 A 11 ARG C A 12 HIS N A 12 HIS CA A 12 HIS C 1.0 -85.0 -65.0 PHI 12 12 A 12 HIS C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -75.0 -55.0 PHI 13 13 A 13 LYS C A 14 THR N A 14 THR CA A 14 THR C 1.0 -75.0 -55.0 PHI 14 14 A 14 THR C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -75.0 -55.0 PHI 15 15 A 15 ASP C A 16 SER N A 16 SER CA A 16 SER C 1.0 -75.0 -55.0 PHI 16 16 A 16 SER C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -75.0 -55.0 PHI 17 17 A 17 PHE C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -75.0 -55.0 PHI 18 18 A 18 VAL C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 -85.0 -65.0 PHI 19 19 A 19 GLY C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -90.0 -70.0 PHI 20 20 A 20 LEU C A 21 MET N A 21 MET CA A 21 MET C 1.0 -90.0 -70.0 PHI stop_ save_