data_nef_c30361_6bes 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 6BES 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 4 DCY SG 1 9 DCY SG 1 1 DAL N 1 11 DSN C 1 1 DAL C 1 2 GLN N 1 2 GLN C 1 3 DPR N 1 3 DPR C 1 4 DCY N 1 4 DCY C 1 5 DLY N 1 5 DLY C 1 6 ASP N 1 7 SER C 1 8 DTY N 1 8 DTY C 1 9 DCY N 1 9 DCY C 1 10 PRO N 1 10 PRO C 1 11 DSN 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 DAL cyclic -H2,-OXT . 2 A 2 GLN middle -H2,-OXT . 3 A 3 DPR middle -H,-OXT . 4 A 4 DCY middle -H2,-OXT . 5 A 5 DLY middle -H2,-OXT . 6 A 6 ASP middle -H2 . 7 A 7 SER middle -OXT . 8 A 8 DTY middle -H2,-OXT . 9 A 9 DCY middle -H2,-OXT . 10 A 10 PRO middle -H,-OXT false 11 A 11 DSN cyclic -OXT,-H2 . 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 DAL H1 H 1 7.723 0.00 A 1 DAL HA H 1 3.977 0.00 A 1 DAL HB2 H 1 1.216 0.00 A 2 GLN H H 1 6.785 0.12 A 2 GLN HA H 1 4.292 0.01 A 2 GLN HBy H 1 1.944 0.00 A 2 GLN HBx H 1 1.749 0.00 A 2 GLN HE2x H 1 6.721 0.00 A 2 GLN HE2y H 1 7.050 0.01 A 2 GLN HGy H 1 2.147 0.00 A 2 GLN HGx H 1 2.035 0.00 A 3 DPR HA H 1 4.179 0.00 A 3 DPR HBy H 1 1.958 0.00 A 3 DPR HBx H 1 1.563 0.00 A 3 DPR HDy H 1 3.570 0.01 A 3 DPR HGy H 1 1.876 0.00 A 3 DPR HGx H 1 1.759 0.00 A 4 DCY H H 1 8.066 0.00 A 4 DCY HA H 1 4.515 0.00 A 4 DCY HBy H 1 3.038 0.00 A 4 DCY HBx H 1 2.885 0.00 A 5 DLY H H 1 8.489 0.00 A 5 DLY HA H 1 3.715 0.00 A 5 DLY HBy H 1 1.409 0.00 A 5 DLY HDy H 1 1.335 0.00 A 5 DLY HEy H 1 2.637 0.00 A 5 DLY HGy H 1 1.014 0.00 A 5 DLY HZx H 1 7.258 0.00 A 6 ASP H H 1 8.752 0.01 A 6 ASP HA H 1 4.494 0.00 A 6 ASP HBy H 1 2.715 0.00 A 6 ASP HBx H 1 2.442 0.00 A 7 SER H H 1 7.751 0.01 A 7 SER HA H 1 4.407 0.00 A 7 SER HBx H 1 3.166 0.00 A 7 SER HBy H 1 3.166 0.00 A 8 DTY H H 1 8.496 0.01 A 8 DTY HA H 1 4.656 0.00 A 8 DTY HBy H 1 2.708 0.00 A 8 DTY HBx H 1 2.376 0.00 A 8 DTY HDx H 1 6.616 0.01 A 8 DTY HEx H 1 6.481 0.01 A 9 DCY H H 1 8.563 0.01 A 9 DCY HA H 1 5.075 0.00 A 9 DCY HBy H 1 2.541 0.00 A 9 DCY HBx H 1 2.449 0.00 A 10 PRO HA H 1 4.098 0.00 A 10 PRO HBy H 1 2.022 0.00 A 10 PRO HBx H 1 1.506 0.00 A 10 PRO HDy H 1 3.481 0.01 A 10 PRO HDx H 1 2.975 0.00 A 10 PRO HGy H 1 1.760 0.00 A 10 PRO HGx H 1 1.633 0.00 A 11 DSN H H 1 8.988 0.01 A 11 DSN HA H 1 3.956 0.01 A 11 DSN HBy H 1 3.740 0.00 A 11 DSN HBx H 1 3.612 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 HA A 2 GLN H 1.0 2.9 6.1 2 2 A 6 ASP H A 6 ASP HA 1.0 2.9 6.1 3 3 A 7 SER H A 7 SER HA 1.0 2.3 4.7 4 4 A 2 GLN HE2y A 2 GLN HE2x 1.0 1.8 3.2 5 5 A 2 GLN H A 2 GLN HBy 1.0 2.3 4.7 6 6 A 2 GLN H A 2 GLN HGy 1.0 2.3 4.7 7 7 A 2 GLN H A 2 GLN HBx 1.0 2.9 6.1 8 8 A 2 GLN H A 2 GLN HGx 1.0 2.9 6.1 9 9 A 2 GLN HE2y A 2 GLN HGy 1.0 2.9 6.1 10 10 A 3 DPR HA A 3 DPR HBx 1.0 2.3 4.7 11 11 A 6 ASP H A 6 ASP HBy 1.0 2.3 4.7 12 12 A 6 ASP H A 6 ASP HBx 1.0 2.9 6.1 13 13 A 7 SER H A 7 SER HBx 1.0 2.3 4.7 14 14 A 10 PRO HA A 10 PRO HBx 1.0 2.3 4.7 15 15 A 10 PRO HGy A 10 PRO HDx 1.0 2.3 4.7 16 16 A 10 PRO HDx A 10 PRO HGx 1.0 2.3 4.7 stop_ save_