data_nef_c30355_6be7 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 6BE7 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 ASP N 1 8 DGN C 1 4 THR C 1 5 DPR N 1 5 DPR C 1 6 DAR N 1 6 DAR C 1 7 GLN N 1 7 GLN C 1 8 DGN 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 ASP cyclic -H2 . 2 A 2 ASP middle . . 3 A 3 PRO middle . false 4 A 4 THR middle -OXT . 5 A 5 DPR middle -H,-OXT . 6 A 6 DAR middle -H2,-OXT . 7 A 7 GLN middle -H2,-OXT . 8 A 8 DGN 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 ASP H1 H 1 9.098 0.00 A 1 ASP HA H 1 4.558 0.01 A 1 ASP HBx H 1 2.812 0.00 A 1 ASP HBy H 1 2.919 0.01 A 1 ASP CA C 13 53.135 0.00 A 1 ASP CB C 13 37.463 0.11 A 1 ASP N N 15 125.699 0.00 A 2 ASP H H 1 7.846 0.00 A 2 ASP HA H 1 4.804 0.01 A 2 ASP HBx H 1 2.845 0.01 A 2 ASP HBy H 1 3.207 0.01 A 2 ASP CA C 13 50.620 0.00 A 2 ASP CB C 13 38.017 0.06 A 2 ASP N N 15 121.477 0.00 A 3 PRO HA H 1 4.205 0.07 A 3 PRO HBx H 1 1.962 0.01 A 3 PRO HBy H 1 2.256 0.01 A 3 PRO HDx H 1 3.904 0.01 A 3 PRO HDy H 1 3.909 0.00 A 3 PRO HGx H 1 2.079 0.12 A 3 PRO HGy H 1 2.079 0.12 A 3 PRO CA C 13 64.365 0.00 A 3 PRO CB C 13 32.303 0.09 A 3 PRO CD C 13 50.741 0.02 A 3 PRO CG C 13 27.219 0.00 A 4 THR H H 1 7.571 0.00 A 4 THR HA H 1 4.459 0.01 A 4 THR HB H 1 3.981 0.01 A 4 THR HG2% H 1 1.084 0.01 A 4 THR CA C 13 59.420 0.00 A 4 THR CB C 13 69.226 0.00 A 4 THR CG2 C 13 21.223 0.00 A 4 THR N N 15 115.145 0.00 A 5 DPR HA H 1 4.292 0.15 A 5 DPR HBx H 1 2.148 0.10 A 5 DPR HDx H 1 3.647 0.01 A 5 DPR HDy H 1 3.813 0.01 A 5 DPR HGx H 1 1.952 0.09 A 5 DPR CA C 13 62.773 0.00 A 5 DPR CB C 13 31.912 0.00 A 5 DPR CD C 13 50.877 0.02 A 5 DPR CG C 13 28.362 0.00 A 6 DAR H H 1 7.811 0.02 A 6 DAR HA H 1 4.067 0.07 A 6 DAR HBx H 1 1.734 0.02 A 6 DAR HBy H 1 1.813 0.01 A 6 DAR HDx H 1 3.176 0.01 A 6 DAR HE H 1 7.088 0.00 A 6 DAR HGx H 1 1.517 0.01 A 6 DAR HGy H 1 1.708 0.03 A 6 DAR CA C 13 58.079 0.00 A 6 DAR CB C 13 30.415 0.00 A 6 DAR CD C 13 43.355 0.00 A 6 DAR CG C 13 27.370 0.05 A 6 DAR N N 15 120.633 0.00 A 6 DAR NE N 15 116.271 0.00 A 7 GLN H H 1 7.651 0.00 A 7 GLN HA H 1 4.488 0.01 A 7 GLN HBx H 1 1.921 0.01 A 7 GLN HBy H 1 2.085 0.00 A 7 GLN HE2y H 1 7.457 0.00 A 7 GLN HE2x H 1 6.886 0.00 A 7 GLN HGx H 1 2.163 0.01 A 7 GLN HGy H 1 2.262 0.01 A 7 GLN CA C 13 54.308 0.00 A 7 GLN CB C 13 30.558 0.03 A 7 GLN CG C 13 33.566 0.15 A 7 GLN N N 15 119.460 0.00 A 7 GLN NE2 N 15 112.397 0.00 A 8 DGN H H 1 8.286 0.00 A 8 DGN HA H 1 4.032 0.01 A 8 DGN HBx H 1 1.912 0.03 A 8 DGN HE2y H 1 7.523 0.00 A 8 DGN HE2x H 1 6.900 0.00 A 8 DGN HGx H 1 2.266 0.00 A 8 DGN CA C 13 57.325 0.00 A 8 DGN CB C 13 29.355 2.62 A 8 DGN CG C 13 33.536 0.00 A 8 DGN N N 15 122.744 0.00 A 8 DGN NE2 N 15 112.519 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 1 ASP HA A 2 ASP H 1.0 2.3 4.7 2 2 A 2 ASP H A 2 ASP HA 1.0 2.3 4.7 3 3 A 2 ASP HA A 4 THR H 1.0 2.9 6.1 4 4 A 2 ASP H A 3 PRO HA 1.0 2.9 6.1 5 5 A 4 THR H A 3 PRO HA 1.0 2.9 6.1 6 6 A 4 THR H A 4 THR HA 1.0 2.3 4.7 7 7 A 5 DPR HA A 7 GLN H 1.0 2.9 6.1 8 8 A 7 GLN H A 7 GLN HA 1.0 2.9 6.1 9 9 A 3 PRO HA A 4 THR HA 1.0 2.9 6.1 10 10 A 3 PRO HA A 4 THR HA 1.0 2.9 6.1 11 11 A 1 ASP HA A 1 ASP HBy 1.0 2.9 6.1 12 12 A 1 ASP HA A 1 ASP HBx 1.0 2.9 6.1 13 13 A 2 ASP HA A 1 ASP HBx 1.0 2.3 4.7 14 14 A 2 ASP HA A 2 ASP HBy 1.0 2.3 4.7 15 15 A 2 ASP H A 2 ASP HBy 1.0 2.3 4.7 16 16 A 2 ASP HBy A 2 ASP HBx 1.0 1.8 3.2 17 17 A 2 ASP H A 2 ASP HBx 1.0 2.3 4.7 18 18 A 2 ASP HA A 3 PRO HGx 1.0 2.9 6.1 19 18 A 2 ASP HA A 3 PRO HGy 1.0 2.9 6.1 20 19 A 2 ASP HA A 2 ASP HBy 1.0 2.9 6.1 21 20 A 2 ASP HBy A 3 PRO HDx 1.0 2.9 6.1 22 21 A 4 THR H A 2 ASP HBy 1.0 2.9 6.1 23 22 A 7 GLN H A 2 ASP HBy 1.0 2.9 6.1 24 23 A 2 ASP HA A 2 ASP HBx 1.0 2.9 6.1 25 24 A 2 ASP HBx A 3 PRO HDx 1.0 2.9 6.1 26 25 A 4 THR H A 2 ASP HBx 1.0 2.9 6.1 27 26 A 7 GLN H A 2 ASP HBx 1.0 2.9 6.1 28 27 A 3 PRO HA A 3 PRO HBy 1.0 2.3 4.7 29 27 A 3 PRO HA A 3 PRO HBx 1.0 2.3 4.7 30 28 A 3 PRO HA A 3 PRO HBy 1.0 2.3 4.7 31 29 A 3 PRO HA A 3 PRO HDx 1.0 2.3 4.7 32 29 A 3 PRO HA A 3 PRO HDy 1.0 2.3 4.7 33 30 A 3 PRO HGy A 3 PRO HDx 1.0 2.3 4.7 34 30 A 3 PRO HDx A 3 PRO HGx 1.0 2.3 4.7 35 31 A 4 THR H A 3 PRO HDx 1.0 2.3 4.7 36 32 A 3 PRO HA A 3 PRO HGx 1.0 2.3 4.7 37 32 A 3 PRO HA A 3 PRO HGy 1.0 2.3 4.7 38 33 A 3 PRO HGy A 3 PRO HDx 1.0 2.3 4.7 39 33 A 3 PRO HDx A 3 PRO HGx 1.0 2.3 4.7 40 34 A 3 PRO HGy A 3 PRO HDy 1.0 2.3 4.7 41 34 A 3 PRO HDy A 3 PRO HGx 1.0 2.3 4.7 42 35 A 4 THR H A 3 PRO HGx 1.0 2.3 4.7 43 35 A 4 THR H A 3 PRO HGy 1.0 2.3 4.7 44 36 A 4 THR H A 3 PRO HBy 1.0 2.9 6.1 45 36 A 4 THR H A 3 PRO HBx 1.0 2.9 6.1 46 37 A 3 PRO HDy A 3 PRO HBy 1.0 2.9 6.1 47 38 A 3 PRO HBy A 3 PRO HDx 1.0 2.9 6.1 48 39 A 2 ASP H A 3 PRO HDy 1.0 2.9 6.1 49 40 A 2 ASP H A 3 PRO HDx 1.0 2.9 6.1 50 41 A 3 PRO HBy A 3 PRO HDx 1.0 2.9 6.1 51 41 A 3 PRO HBx A 3 PRO HDx 1.0 2.9 6.1 52 42 A 3 PRO HBx A 3 PRO HDx 1.0 2.9 6.1 53 43 A 4 THR HA A 4 THR HB 1.0 2.3 4.7 54 44 A 4 THR H A 4 THR HB 1.0 2.3 4.7 55 45 A 4 THR HA A 4 THR HG2% 1.0 2.3 4.7 56 46 A 4 THR HB A 4 THR HG2% 1.0 2.3 4.7 57 47 A 4 THR HA A 3 PRO HBy 1.0 2.9 6.1 58 47 A 4 THR HA A 3 PRO HBx 1.0 2.9 6.1 59 48 A 4 THR HB A 7 GLN HGy 1.0 2.9 6.1 60 49 A 4 THR HB A 7 GLN HGx 1.0 2.9 6.1 61 50 A 4 THR HG2% A 3 PRO HGx 1.0 2.9 6.1 62 50 A 3 PRO HGy A 4 THR HG2% 1.0 2.9 6.1 63 51 A 4 THR H A 4 THR HG2% 1.0 2.9 6.1 64 52 A 5 DPR HA A 4 THR HG2% 1.0 2.9 6.1 65 53 A 4 THR HG2% A 5 DPR HDx 1.0 2.9 6.1 66 54 A 4 THR HG2% A 7 GLN HGy 1.0 2.9 6.1 67 55 A 4 THR HG2% A 7 GLN HGx 1.0 2.9 6.1 68 56 A 4 THR HA A 5 DPR HDx 1.0 2.3 4.7 69 57 A 5 DPR HA A 5 DPR HDx 1.0 2.9 6.1 70 58 A 5 DPR HA A 7 GLN HGy 1.0 2.9 6.1 71 59 A 5 DPR HA A 7 GLN HGx 1.0 2.9 6.1 72 60 A 4 THR HB A 5 DPR HDx 1.0 2.9 6.1 73 61 A 4 THR H A 5 DPR HDx 1.0 2.9 6.1 74 62 A 5 DPR HA A 5 DPR HDx 1.0 2.9 6.1 75 63 A 7 GLN HBx A 7 GLN HBy 1.0 1.8 3.2 76 64 A 7 GLN HGy A 7 GLN HGx 1.0 1.8 3.2 77 65 A 7 GLN HGy A 7 GLN HGx 1.0 1.8 3.2 78 66 A 2 ASP H A 7 GLN HBy 1.0 2.9 6.1 79 67 A 7 GLN HA A 7 GLN HBy 1.0 2.9 6.1 80 68 A 7 GLN H A 7 GLN HBy 1.0 2.9 6.1 81 69 A 2 ASP HBy A 7 GLN HBx 1.0 2.9 6.1 82 70 A 2 ASP HBx A 7 GLN HBx 1.0 2.9 6.1 83 71 A 2 ASP H A 7 GLN HBx 1.0 2.9 6.1 84 72 A 7 GLN HA A 7 GLN HBx 1.0 2.9 6.1 85 73 A 7 GLN H A 7 GLN HBx 1.0 2.9 6.1 86 74 A 2 ASP H A 7 GLN HGy 1.0 2.9 6.1 87 75 A 7 GLN HA A 7 GLN HGy 1.0 2.9 6.1 88 76 A 7 GLN H A 7 GLN HGy 1.0 2.9 6.1 89 77 A 2 ASP H A 7 GLN HGx 1.0 2.9 6.1 90 78 A 7 GLN HA A 7 GLN HGx 1.0 2.9 6.1 91 79 A 7 GLN H A 7 GLN HGx 1.0 2.9 6.1 stop_ save_