data_nef_c30363_6beu 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 6BEU 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 DCY SG 1 8 CYS SG 1 1 DCY N 1 14 DPR C 1 1 DCY C 1 2 ASN N 1 2 ASN C 1 3 DVA N 1 3 DVA C 1 4 DPR N 1 4 DPR C 1 5 ASP N 1 8 CYS C 1 9 DPR N 1 9 DPR C 1 10 DSG N 1 10 DSG C 1 11 LYS N 1 12 TYR C 1 13 DVA N 1 13 DVA C 1 14 DPR 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 DCY cyclic -H2,-OXT . 2 A 2 ASN middle -H2,-OXT . 3 A 3 DVA middle -H2,-OXT . 4 A 4 DPR middle -H,-OXT . 5 A 5 ASP middle -H2 . 6 A 6 VAL middle . . 7 A 7 TYR middle . . 8 A 8 CYS middle -HG,-OXT . 9 A 9 DPR middle -H,-OXT . 10 A 10 DSG middle -H2,-OXT . 11 A 11 LYS middle -H2 . 12 A 12 TYR middle -OXT . 13 A 13 DVA middle -H2,-OXT . 14 A 14 DPR cyclic -OXT,-H . 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 DCY H1 H 1 8.231 0.00 A 1 DCY HA H 1 4.348 0.00 A 1 DCY HBy H 1 2.979 0.00 A 1 DCY HBx H 1 2.803 0.00 A 1 DCY N N 15 117.599 0.00 A 2 ASN H H 1 9.171 0.00 A 2 ASN HA H 1 4.851 0.00 A 2 ASN HBy H 1 2.884 0.00 A 2 ASN HBx H 1 2.564 0.00 A 2 ASN HD2y H 1 7.598 0.04 A 2 ASN HD2x H 1 6.849 0.00 A 2 ASN ND2 N 15 112.514 0.05 A 3 DVA H H 1 8.022 0.00 A 3 DVA HA H 1 4.415 0.00 A 3 DVA HB H 1 2.183 0.00 A 3 DVA HGx% H 1 0.803 0.00 A 3 DVA HGy% H 1 0.990 0.00 A 3 DVA N N 15 123.488 0.00 A 4 DPR HA H 1 4.335 0.00 A 4 DPR HBx H 1 1.773 0.00 A 4 DPR HBy H 1 2.222 0.01 A 4 DPR HDy H 1 3.776 0.00 A 4 DPR HDx H 1 3.622 0.01 A 4 DPR HGx H 1 1.902 0.01 A 4 DPR HGy H 1 1.987 0.00 A 5 ASP H H 1 8.512 0.03 A 5 ASP HA H 1 4.776 0.00 A 5 ASP HBx H 1 2.803 0.00 A 5 ASP HBy H 1 2.803 0.00 A 5 ASP N N 15 118.861 0.00 A 6 VAL H H 1 7.377 0.00 A 6 VAL HA H 1 4.533 0.00 A 6 VAL HB H 1 2.296 0.01 A 6 VAL HGx% H 1 0.865 0.00 A 6 VAL HGy% H 1 0.967 0.00 A 7 TYR H H 1 8.290 0.03 A 7 TYR HA H 1 4.793 0.01 A 7 TYR HBx H 1 2.877 0.00 A 7 TYR HBy H 1 2.877 0.00 A 7 TYR HDx H 1 6.986 0.01 A 7 TYR HDy H 1 6.986 0.01 A 7 TYR HEx H 1 6.786 0.00 A 7 TYR HEy H 1 6.786 0.00 A 7 TYR N N 15 120.193 0.00 A 8 CYS H H 1 8.990 0.02 A 8 CYS HA H 1 5.025 0.00 A 8 CYS HBy H 1 3.391 0.00 A 8 CYS HBx H 1 3.201 0.00 A 8 CYS N N 15 124.680 0.00 A 9 DPR HA H 1 4.415 0.00 A 9 DPR HBx H 1 1.976 0.00 A 9 DPR HBy H 1 2.386 0.00 A 9 DPR HDy H 1 4.120 0.00 A 9 DPR HDx H 1 3.923 0.00 A 9 DPR HGy H 1 2.044 0.00 A 10 DSG H H 1 8.520 0.00 A 10 DSG HA H 1 4.777 0.00 A 10 DSG HBy H 1 2.848 0.00 A 10 DSG HBx H 1 2.780 0.00 A 10 DSG HD2y H 1 7.531 0.00 A 10 DSG HD2x H 1 6.828 0.00 A 10 DSG N N 15 111.903 0.00 A 10 DSG ND2 N 15 113.290 0.11 A 11 LYS H H 1 7.576 0.01 A 11 LYS HA H 1 4.591 0.00 A 11 LYS HBx H 1 1.697 0.00 A 11 LYS HBy H 1 1.697 0.00 A 11 LYS HGx H 1 1.300 0.00 A 11 LYS HGy H 1 1.300 0.00 A 11 LYS N N 15 119.632 0.00 A 12 TYR H H 1 8.561 0.03 A 12 TYR HA H 1 3.772 0.00 A 12 TYR HBy H 1 2.611 0.00 A 12 TYR HBx H 1 2.408 0.00 A 12 TYR HDy H 1 6.782 0.00 A 12 TYR HDx H 1 6.523 0.00 A 12 TYR HEy H 1 6.994 0.00 A 12 TYR HEx H 1 6.605 0.00 A 12 TYR N N 15 122.506 0.00 A 13 DVA H H 1 7.329 0.00 A 13 DVA HA H 1 4.207 0.00 A 13 DVA HB H 1 1.811 0.00 A 13 DVA HGx% H 1 0.420 0.00 A 13 DVA N N 15 126.923 0.00 A 14 DPR HA H 1 4.237 0.00 A 14 DPR HBx H 1 1.700 0.00 A 14 DPR HBy H 1 2.216 0.00 A 14 DPR HDy H 1 3.676 0.00 A 14 DPR HDx H 1 3.379 0.00 A 14 DPR HGx H 1 1.822 0.01 A 14 DPR HGy H 1 1.978 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 ASN H A 2 ASN HA 1.0 2.9 6.1 2 2 A 4 DPR HA A 5 ASP H 1.0 2.3 4.7 3 3 A 5 ASP H A 5 ASP HA 1.0 2.9 6.1 4 4 A 5 ASP HA A 6 VAL H 1.0 2.9 6.1 5 5 A 6 VAL HA A 7 TYR H 1.0 2.3 4.7 6 6 A 6 VAL H A 6 VAL HA 1.0 2.9 6.1 7 7 A 7 TYR HA A 8 CYS H 1.0 2.3 4.7 8 8 A 7 TYR H A 7 TYR HA 1.0 2.9 6.1 9 9 A 8 CYS H A 8 CYS HA 1.0 2.9 6.1 10 10 A 11 LYS HA A 12 TYR H 1.0 2.3 4.7 11 11 A 11 LYS H A 11 LYS HA 1.0 2.9 6.1 12 12 A 12 TYR H A 12 TYR HA 1.0 2.9 6.1 13 13 A 7 TYR H A 8 CYS H 1.0 2.9 6.1 14 14 A 8 CYS H A 11 LYS H 1.0 2.9 6.1 15 15 A 11 LYS H A 12 TYR H 1.0 2.9 6.1 16 16 A 5 ASP H A 6 VAL H 1.0 2.9 6.1 17 17 A 7 TYR HA A 12 TYR HA 1.0 1.8 3.2 18 18 A 2 ASN H A 2 ASN HBx 1.0 2.9 6.1 19 19 A 2 ASN HBy A 2 ASN HD2y 1.0 2.9 6.1 20 20 A 2 ASN H A 2 ASN HBy 1.0 2.9 6.1 21 21 A 4 DPR HA A 4 DPR HBx 1.0 2.3 4.7 22 22 A 4 DPR HA A 4 DPR HBy 1.0 2.3 4.7 23 23 A 4 DPR HA A 4 DPR HGy 1.0 2.9 6.1 24 24 A 4 DPR HA A 4 DPR HGx 1.0 2.9 6.1 25 25 A 5 ASP H A 4 DPR HBy 1.0 2.9 6.1 26 26 A 5 ASP H A 4 DPR HBx 1.0 2.9 6.1 27 27 A 4 DPR HDx A 4 DPR HBy 1.0 2.9 6.1 28 28 A 4 DPR HDx A 4 DPR HBx 1.0 2.9 6.1 29 29 A 4 DPR HDx A 4 DPR HGy 1.0 2.3 4.7 30 30 A 4 DPR HDx A 4 DPR HGx 1.0 2.9 6.1 31 31 A 4 DPR HDy A 4 DPR HBy 1.0 2.9 6.1 32 32 A 4 DPR HDy A 4 DPR HBx 1.0 2.9 6.1 33 33 A 4 DPR HDy A 4 DPR HGy 1.0 2.9 6.1 34 34 A 4 DPR HDy A 4 DPR HGx 1.0 2.3 4.7 35 35 A 7 TYR H A 6 VAL HB 1.0 2.3 4.7 36 36 A 6 VAL HA A 12 TYR HDx 1.0 2.9 6.1 37 37 A 6 VAL HA A 12 TYR HEx 1.0 2.9 6.1 38 38 A 6 VAL HA A 6 VAL HB 1.0 2.9 6.1 39 39 A 6 VAL H A 6 VAL HB 1.0 2.9 6.1 40 40 A 6 VAL HB A 12 TYR HDx 1.0 2.9 6.1 41 41 A 6 VAL HB A 12 TYR HDy 1.0 2.9 6.1 42 42 A 6 VAL HB A 12 TYR HEx 1.0 2.9 6.1 43 43 A 2 ASN H A 8 CYS HBx 1.0 2.9 6.1 44 44 A 8 CYS H A 8 CYS HBx 1.0 2.9 6.1 45 45 A 8 CYS H A 8 CYS HBy 1.0 2.9 6.1 46 46 A 9 DPR HA A 9 DPR HBx 1.0 2.3 4.7 47 47 A 9 DPR HA A 9 DPR HBy 1.0 2.3 4.7 48 48 A 9 DPR HBy A 9 DPR HDx 1.0 2.9 6.1 49 49 A 9 DPR HBx A 9 DPR HDx 1.0 2.9 6.1 50 50 A 8 CYS H A 9 DPR HDy 1.0 2.9 6.1 51 51 A 9 DPR HBy A 9 DPR HDy 1.0 2.9 6.1 52 52 A 9 DPR HBx A 9 DPR HDy 1.0 2.9 6.1 53 53 A 11 LYS HA A 12 TYR HDy 1.0 2.9 6.1 54 54 A 11 LYS HA A 12 TYR HEy 1.0 2.9 6.1 55 55 A 12 TYR HA A 12 TYR HDx 1.0 2.3 4.7 56 56 A 12 TYR HDx A 12 TYR HBx 1.0 2.3 4.7 57 57 A 12 TYR H A 12 TYR HBx 1.0 2.3 4.7 58 58 A 12 TYR HDx A 12 TYR HBy 1.0 2.3 4.7 59 59 A 12 TYR H A 12 TYR HBy 1.0 2.3 4.7 60 60 A 12 TYR HA A 12 TYR HDy 1.0 2.9 6.1 61 61 A 12 TYR HA A 12 TYR HEx 1.0 2.9 6.1 62 62 A 12 TYR HA A 12 TYR HEy 1.0 2.9 6.1 63 63 A 12 TYR HDy A 12 TYR HBx 1.0 2.9 6.1 64 64 A 12 TYR HEx A 12 TYR HBx 1.0 2.9 6.1 65 65 A 12 TYR HEy A 12 TYR HBx 1.0 2.9 6.1 66 66 A 12 TYR HDy A 12 TYR HBy 1.0 2.9 6.1 67 67 A 12 TYR HEx A 12 TYR HBy 1.0 2.9 6.1 68 68 A 12 TYR HEy A 12 TYR HBy 1.0 2.9 6.1 69 69 A 12 TYR HDx A 12 TYR HDy 1.0 2.9 6.1 70 70 A 12 TYR HDx A 12 TYR HEy 1.0 2.9 6.1 71 71 A 12 TYR H A 12 TYR HDx 1.0 2.9 6.1 72 72 A 12 TYR H A 12 TYR HDy 1.0 2.9 6.1 73 73 A 12 TYR HEx A 12 TYR HDy 1.0 2.9 6.1 74 74 A 12 TYR HEx A 12 TYR HEy 1.0 2.9 6.1 75 75 A 12 TYR H A 12 TYR HEy 1.0 2.9 6.1 76 76 A 14 DPR HA A 14 DPR HBx 1.0 2.3 4.7 77 77 A 14 DPR HDx A 14 DPR HGx 1.0 2.3 4.7 78 78 A 14 DPR HDy A 14 DPR HGy 1.0 2.3 4.7 79 79 A 14 DPR HA A 14 DPR HGy 1.0 2.9 6.1 80 80 A 14 DPR HA A 14 DPR HGx 1.0 2.9 6.1 81 81 A 14 DPR HDx A 14 DPR HBy 1.0 2.9 6.1 82 82 A 14 DPR HDx A 14 DPR HBx 1.0 2.9 6.1 83 83 A 14 DPR HDx A 14 DPR HGy 1.0 2.3 4.7 84 84 A 14 DPR HDy A 14 DPR HBy 1.0 2.9 6.1 85 85 A 14 DPR HDy A 14 DPR HBx 1.0 2.9 6.1 86 86 A 14 DPR HDy A 14 DPR HGx 1.0 2.3 4.7 stop_ save_