data_nef_c30357_6ben 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 6BEN 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 DAR N 1 8 GLN C 1 1 DAR C 1 2 GLN N 1 2 GLN C 1 3 DPR N 1 3 DPR C 1 4 DGN N 1 4 DGN C 1 5 ARG N 1 5 ARG C 1 6 DGL N 1 6 DGL C 1 7 PRO 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 DAR cyclic -H2,-OXT . 2 A 2 GLN middle -H2,-OXT . 3 A 3 DPR middle -H,-OXT . 4 A 4 DGN middle -H2,-OXT . 5 A 5 ARG middle -H2,-OXT . 6 A 6 DGL middle -H2,-OXT . 7 A 7 PRO middle -H false 8 A 8 GLN cyclic -OXT . 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 DAR H1 H 1 7.875 0.01 A 1 DAR HA H 1 4.214 0.00 A 1 DAR HBy H 1 1.766 0.00 A 1 DAR HDy H 1 3.096 0.00 A 1 DAR HE H 1 7.104 0.00 A 1 DAR HGy H 1 1.647 0.00 A 1 DAR HGx H 1 1.503 0.00 A 1 DAR N N 15 120.912 0.00 A 2 GLN H H 1 8.236 0.01 A 2 GLN HA H 1 4.373 0.00 A 2 GLN HBx H 1 1.733 0.00 A 2 GLN HBy H 1 1.733 0.00 A 2 GLN HE2y H 1 7.524 0.01 A 2 GLN HE2x H 1 6.858 0.01 A 2 GLN HGx H 1 2.031 0.00 A 2 GLN HGy H 1 2.226 0.00 A 2 GLN N N 15 118.985 0.00 A 2 GLN NE2 N 15 111.918 0.00 A 3 DPR HA H 1 4.227 0.00 A 3 DPR HBx H 1 1.807 0.00 A 3 DPR HBy H 1 2.278 0.00 A 3 DPR HDy H 1 3.645 0.00 A 3 DPR HGy H 1 1.939 0.00 A 4 DGN H H 1 8.157 0.01 A 4 DGN HA H 1 4.168 0.00 A 4 DGN HBy H 1 1.940 0.00 A 4 DGN HE2y H 1 7.559 0.01 A 4 DGN HE2x H 1 6.844 0.01 A 4 DGN HGx H 1 2.056 0.00 A 4 DGN HGy H 1 2.286 0.00 A 4 DGN N N 15 115.465 0.00 A 4 DGN NE2 N 15 112.342 0.01 A 5 ARG H H 1 7.839 0.01 A 5 ARG HA H 1 4.178 0.00 A 5 ARG HBx H 1 1.742 0.00 A 5 ARG HBy H 1 1.742 0.00 A 5 ARG HDx H 1 3.096 0.00 A 5 ARG HDy H 1 3.096 0.00 A 5 ARG HE H 1 7.127 0.00 A 5 ARG HGy H 1 1.677 0.00 A 5 ARG HGx H 1 1.513 0.00 A 5 ARG N N 15 120.528 0.00 A 6 DGL H H 1 8.055 0.01 A 6 DGL HA H 1 4.511 0.00 A 6 DGL HBy H 1 1.732 0.00 A 6 DGL HGx H 1 2.050 0.00 A 6 DGL HGy H 1 2.310 0.00 A 6 DGL N N 15 117.960 0.00 A 7 PRO HA H 1 4.200 0.00 A 7 PRO HBx H 1 1.839 0.00 A 7 PRO HBy H 1 2.280 0.00 A 7 PRO HDx H 1 3.674 0.00 A 7 PRO HDy H 1 3.674 0.00 A 7 PRO HGx H 1 1.939 0.00 A 7 PRO HGy H 1 1.939 0.00 A 8 GLN H H 1 8.403 0.01 A 8 GLN HA H 1 4.175 0.00 A 8 GLN HBx H 1 1.941 0.00 A 8 GLN HBy H 1 2.041 0.00 A 8 GLN HE2y H 1 7.593 0.01 A 8 GLN HE2x H 1 6.833 0.00 A 8 GLN HGx H 1 2.180 0.00 A 8 GLN HGy H 1 2.295 0.00 A 8 GLN N N 15 115.919 0.00 A 8 GLN NE2 N 15 112.382 0.00 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 2 GLN H A 2 GLN HA 1.0 2.3 4.7 2 2 A 2 GLN HE2x A 2 GLN HE2y 1.0 1.8 3.2 3 3 A 2 GLN HA A 5 ARG H 1.0 2.9 6.1 4 4 A 2 GLN H A 2 GLN HBx 1.0 2.9 6.1 5 4 A 2 GLN H A 2 GLN HBy 1.0 2.9 6.1 6 5 A 2 GLN H A 2 GLN HGx 1.0 2.9 6.1 7 6 A 2 GLN HGx A 8 GLN HE2y 1.0 2.9 6.1 8 7 A 2 GLN HE2y A 2 GLN HGy 1.0 2.9 6.1 9 8 A 2 GLN H A 2 GLN HGy 1.0 2.9 6.1 10 9 A 2 GLN H A 8 GLN H 1.0 2.9 6.1 11 10 A 5 ARG H A 5 ARG HA 1.0 2.3 4.7 12 11 A 5 ARG H A 5 ARG HBx 1.0 2.3 4.7 13 11 A 5 ARG H A 5 ARG HBy 1.0 2.3 4.7 14 12 A 8 GLN HE2y A 5 ARG HBx 1.0 2.9 6.1 15 12 A 8 GLN HE2y A 5 ARG HBy 1.0 2.9 6.1 16 13 A 8 GLN H A 5 ARG HBx 1.0 2.9 6.1 17 13 A 8 GLN H A 5 ARG HBy 1.0 2.9 6.1 18 14 A 5 ARG H A 5 ARG HDx 1.0 2.9 6.1 19 14 A 5 ARG H A 5 ARG HDy 1.0 2.9 6.1 20 15 A 5 ARG H A 5 ARG HE 1.0 2.9 6.1 21 16 A 5 ARG H A 5 ARG HGy 1.0 2.9 6.1 22 17 A 5 ARG H A 5 ARG HGx 1.0 2.9 6.1 23 18 A 8 GLN HE2y A 5 ARG HGx 1.0 2.9 6.1 24 19 A 7 PRO HDx A 7 PRO HGx 1.0 2.3 4.7 25 19 A 7 PRO HDy A 7 PRO HGx 1.0 2.3 4.7 26 19 A 7 PRO HGy A 7 PRO HDx 1.0 2.3 4.7 27 19 A 7 PRO HDy A 7 PRO HGy 1.0 2.3 4.7 28 20 A 8 GLN HE2y A 7 PRO HBx 1.0 2.9 6.1 29 21 A 8 GLN H A 7 PRO HBx 1.0 2.9 6.1 30 22 A 7 PRO HA A 7 PRO HDx 1.0 2.9 6.1 31 22 A 7 PRO HDy A 7 PRO HA 1.0 2.9 6.1 32 23 A 7 PRO HBx A 7 PRO HDx 1.0 2.9 6.1 33 23 A 7 PRO HDy A 7 PRO HBx 1.0 2.9 6.1 34 24 A 7 PRO HBy A 7 PRO HDx 1.0 2.9 6.1 35 24 A 7 PRO HDy A 7 PRO HBy 1.0 2.9 6.1 36 25 A 8 GLN H A 7 PRO HDx 1.0 2.9 6.1 37 25 A 8 GLN H A 7 PRO HDy 1.0 2.9 6.1 38 26 A 8 GLN H A 8 GLN HA 1.0 2.3 4.7 39 27 A 8 GLN HE2y A 8 GLN HA 1.0 2.9 6.1 40 28 A 8 GLN H A 8 GLN HBx 1.0 2.9 6.1 41 29 A 8 GLN H A 8 GLN HBy 1.0 2.9 6.1 42 30 A 8 GLN H A 8 GLN HE2y 1.0 2.9 6.1 43 31 A 8 GLN HE2y A 8 GLN HGx 1.0 2.9 6.1 44 32 A 8 GLN H A 8 GLN HGx 1.0 2.9 6.1 45 33 A 8 GLN H A 8 GLN HGy 1.0 2.9 6.1 stop_ save_