data_nef_c30203_5tww 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30202 PDB 5TWW 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 1 ALA N 1 4 UN1 C1' 1 3 ALA C 1 4 UN1 N4 1 4 UN1 C3 1 5 ALA N 1 13 ALA 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 ALA start -H2 . 2 A 2 ALA middle . . 3 A 3 ALA middle -OXT . 4 A 4 UN1 middle -O5' . 5 A 5 ALA middle -H2 . 6 A 6 ARG middle . . 7 A 7 ALA middle . . 8 A 8 ALA middle . . 9 A 9 ARG middle . . 10 A 10 ALA middle . . 11 A 11 ALA middle . . 12 A 12 ARG middle . . 13 A 13 ALA 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 ALA H H 1 8.730 0.013 A 1 ALA HA H 1 3.890 0.013 A 2 ALA H H 1 7.810 0.013 A 2 ALA HA H 1 4.010 0.013 A 3 ALA H H 1 8.470 0.013 A 3 ALA HA H 1 4.011 0.013 A 4 UN1 H4 H 1 3.870 0.013 A 4 UN1 H4N1 H 1 7.612 0.013 A 5 ALA H H 1 7.680 0.013 A 5 ALA HA H 1 4.080 0.013 A 6 ARG H H 1 7.900 0.013 A 6 ARG HA H 1 4.010 0.013 A 7 ALA H H 1 7.899 0.013 A 7 ALA HA H 1 4.130 0.013 A 8 ALA H H 1 7.990 0.013 A 8 ALA HA H 1 4.170 0.013 A 9 ARG H H 1 7.890 0.013 A 9 ARG HA H 1 4.080 0.013 A 10 ALA H H 1 7.970 0.013 A 10 ALA HA H 1 4.150 0.013 A 11 ALA H H 1 7.910 0.013 A 11 ALA HA H 1 4.130 0.013 A 12 ARG H H 1 7.990 0.013 A 12 ARG HA H 1 4.170 0.013 A 13 ALA HA H 1 4.150 0.013 A 14 NH2 HN1 H 1 8.090 0.013 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _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 3 ALA HA A 6 ARG H 1.0 0.0 6.0 2 2 A 3 ALA HA A 7 ALA H 1.0 0.0 6.0 3 3 A 3 ALA H A 5 ALA H 1.0 0.0 6.0 4 4 A 3 ALA H A 6 ARG HDy 1.0 0.0 2.7 5 5 A 3 ALA H A 6 ARG HDx 1.0 0.0 5.0 6 6 A 3 ALA H A 6 ARG HGx 1.0 0.0 6.0 7 6 A 3 ALA H A 6 ARG HGy 1.0 0.0 6.0 8 7 A 6 ARG H A 5 ALA HA 1.0 0.0 3.5 9 8 A 8 ALA H A 5 ALA HA 1.0 0.0 5.0 10 9 A 6 ARG H A 5 ALA H 1.0 0.0 3.5 11 10 A 5 ALA H A 3 ALA HB1 1.0 0.0 6.0 12 11 A 7 ALA H A 6 ARG HA 1.0 0.0 5.0 13 12 A 6 ARG HA A 9 ARG H 1.0 0.0 5.0 14 13 A 6 ARG H A 7 ALA H 1.0 0.0 5.0 15 14 A 6 ARG H A 5 ALA HB1 1.0 0.0 6.0 16 15 A 7 ALA HA A 10 ALA H 1.0 0.0 5.0 17 16 A 7 ALA HA A 11 ALA H 1.0 0.0 6.0 18 17 A 8 ALA H A 7 ALA HA 1.0 0.0 5.0 19 18 A 7 ALA H A 8 ALA H 1.0 0.0 5.0 20 19 A 11 ALA H A 8 ALA HA 1.0 0.0 5.0 21 20 A 9 ARG HA A 12 ARG H 1.0 0.0 5.0 22 21 A 10 ALA H A 9 ARG HA 1.0 0.0 5.0 23 22 A 10 ALA HA A 13 ALA H 1.0 0.0 6.0 24 23 A 11 ALA H A 10 ALA HA 1.0 0.0 5.0 25 24 A 10 ALA H A 11 ALA H 1.0 0.0 5.0 26 25 A 12 ARG H A 11 ALA HA 1.0 0.0 3.5 27 26 A 11 ALA H A 12 ARG H 1.0 0.0 6.0 28 27 A 11 ALA H A 9 ARG HBx 1.0 0.0 6.0 29 27 A 11 ALA H A 9 ARG HBy 1.0 0.0 6.0 30 28 A 13 ALA H A 12 ARG HA 1.0 0.0 5.0 31 29 A 12 ARG H A 13 ALA H 1.0 0.0 6.0 32 30 A 12 ARG H A 10 ALA HB1 1.0 0.0 6.0 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 7 ALA H A 3 ALA O 1.0 1.7 2.42 2 2 A 3 ALA O A 7 ALA N 1.0 2.7 3.42 3 3 A 9 ARG H A 5 ALA O 1.0 1.7 2.42 4 4 A 5 ALA O A 9 ARG N 1.0 2.7 3.42 5 5 A 10 ALA H A 6 ARG O 1.0 1.7 2.42 6 6 A 6 ARG O A 10 ALA N 1.0 2.7 3.42 7 7 A 12 ARG H A 8 ALA O 1.0 1.7 2.42 8 8 A 8 ALA O A 12 ARG N 1.0 2.7 3.42 9 9 A 11 ALA H A 7 ALA O 1.0 1.7 2.42 10 10 A 7 ALA O A 11 ALA N 1.0 2.7 3.42 11 11 A 10 ALA O A 14 NH2 N 1.0 2.7 3.42 12 12 A 13 ALA H A 9 ARG O 1.0 1.7 2.52 13 13 A 9 ARG O A 13 ALA N 1.0 2.7 3.52 stop_ save_