data_nef_c25928_2na5 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 PDB 2NA5 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 2 4QK C 1 3 PRO N 1 2 4QK NZ2 2 1 CNC C5R 1 1 ILE C 1 2 4QK N 2 1 CNC N3B 2 1 CNC CO 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 3 ILE start . . 2 A 4 4QK middle . . 3 A 6 PRO middle . false 4 A 7 GLU middle . . 5 A 8 ALA middle . . 6 A 9 PRO middle . false 7 A 10 GLY middle . false 8 A 11 GLU middle . . 9 A 12 ASP middle . . 10 A 13 ALA middle . . 11 A 14 SER middle . . 12 A 15 PRO middle . false 13 A 16 GLU middle . . 14 A 17 GLU middle . . 15 A 18 LEU middle . . 16 A 19 ASN middle . . 17 A 20 ARG middle . . 18 A 21 TYR middle . . 19 A 22 TYR middle . . 20 A 23 ALA middle . . 21 A 24 SER middle . . 22 A 25 LEU middle . . 23 A 26 ARG middle . . 24 A 27 HIS middle . . 25 A 28 TYR middle . . 26 A 29 LEU middle . . 27 A 30 ASN middle . . 28 A 31 LEU middle . . 29 A 32 VAL middle . . 30 A 33 THR middle . . 31 A 34 ARG middle . . 32 A 35 GLN middle . . 33 A 36 ARG middle . . 34 A 37 TYR end . . 35 B 1 CNC . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 3 ILE HA H 1 3.89 0.02 A 3 ILE HB H 1 1.94 0.02 A 3 ILE HD1% H 1 0.87 0.02 A 3 ILE HG1x H 1 1.19 0.02 A 3 ILE HG1y H 1 1.47 0.02 A 3 ILE HG2% H 1 0.97 0.02 A 6 PRO HA H 1 4.38 0.02 A 6 PRO HBx H 1 2.31 0.02 A 6 PRO HBy H 1 2.31 0.02 A 6 PRO HDx H 1 3.33 0.02 A 6 PRO HDy H 1 3.56 0.02 A 6 PRO HGx H 1 1.88 0.02 A 6 PRO HGy H 1 1.88 0.02 A 7 GLU H H 1 8.35 0.02 A 7 GLU HA H 1 4.26 0.02 A 7 GLU HBy H 1 1.99 0.02 A 7 GLU HBx H 1 1.88 0.02 A 7 GLU HGx H 1 2.42 0.02 A 7 GLU HGy H 1 2.42 0.02 A 8 ALA H H 1 8.32 0.02 A 8 ALA HA H 1 3.70 0.02 A 8 ALA HB% H 1 1.14 0.02 A 9 PRO HA H 1 4.30 0.02 A 9 PRO HBx H 1 1.77 0.02 A 9 PRO HBy H 1 2.11 0.02 A 9 PRO HDx H 1 2.97 0.02 A 9 PRO HDy H 1 2.97 0.02 A 9 PRO HGx H 1 1.67 0.02 A 9 PRO HGy H 1 1.67 0.02 A 10 GLY H H 1 8.22 0.02 A 10 GLY HAx H 1 3.90 0.02 A 10 GLY HAy H 1 3.98 0.02 A 11 GLU H H 1 8.33 0.02 A 11 GLU HA H 1 4.13 0.02 A 11 GLU HBx H 1 2.02 0.02 A 11 GLU HBy H 1 2.02 0.02 A 11 GLU HGx H 1 2.42 0.02 A 11 GLU HGy H 1 2.42 0.02 A 12 ASP H H 1 8.56 0.02 A 12 ASP HA H 1 4.66 0.02 A 12 ASP HBx H 1 2.78 0.02 A 12 ASP HBy H 1 2.87 0.02 A 13 ALA H H 1 7.51 0.02 A 13 ALA HA H 1 4.20 0.02 A 13 ALA HB% H 1 1.32 0.02 A 14 SER H H 1 8.31 0.02 A 14 SER HA H 1 4.74 0.02 A 14 SER HBx H 1 4.02 0.02 A 14 SER HBy H 1 4.34 0.02 A 15 PRO HA H 1 4.28 0.02 A 15 PRO HBy H 1 2.41 0.02 A 15 PRO HBx H 1 1.96 0.02 A 15 PRO HDx H 1 3.90 0.02 A 15 PRO HDy H 1 3.90 0.02 A 15 PRO HGx H 1 2.19 0.02 A 15 PRO HGy H 1 2.19 0.02 A 16 GLU H H 1 8.38 0.02 A 16 GLU HA H 1 4.17 0.02 A 16 GLU HBx H 1 1.98 0.02 A 16 GLU HBy H 1 2.11 0.02 A 16 GLU HGx H 1 2.42 0.02 A 16 GLU HGy H 1 2.42 0.02 A 17 GLU H H 1 7.88 0.02 A 17 GLU HA H 1 4.02 0.02 A 17 GLU HBx H 1 2.28 0.02 A 17 GLU HBy H 1 2.28 0.02 A 17 GLU HGx H 1 2.43 0.02 A 17 GLU HGy H 1 2.43 0.02 A 18 LEU H H 1 8.36 0.02 A 18 LEU HA H 1 3.98 0.02 A 18 LEU HBx H 1 1.81 0.02 A 18 LEU HBy H 1 1.81 0.02 A 18 LEU HDx% H 1 0.81 0.02 A 18 LEU HDy% H 1 0.81 0.02 A 18 LEU HG H 1 1.54 0.02 A 19 ASN H H 1 8.41 0.02 A 19 ASN HA H 1 4.55 0.02 A 19 ASN HBx H 1 2.90 0.02 A 19 ASN HBy H 1 2.90 0.02 A 19 ASN HD2y H 1 7.62 0.02 A 19 ASN HD2x H 1 6.95 0.02 A 20 ARG H H 1 7.99 0.02 A 20 ARG HA H 1 4.12 0.02 A 20 ARG HBx H 1 1.82 0.02 A 20 ARG HBy H 1 1.93 0.02 A 20 ARG HDx H 1 3.22 0.02 A 20 ARG HDy H 1 3.22 0.02 A 20 ARG HE H 1 7.32 0.02 A 20 ARG HGx H 1 1.62 0.02 A 20 ARG HGy H 1 1.62 0.02 A 21 TYR H H 1 8.04 0.02 A 21 TYR HA H 1 4.34 0.02 A 21 TYR HBy H 1 3.11 0.02 A 21 TYR HBx H 1 2.97 0.02 A 21 TYR HDx H 1 6.70 0.02 A 21 TYR HDy H 1 6.70 0.02 A 21 TYR HEx H 1 6.56 0.02 A 21 TYR HEy H 1 6.56 0.02 A 22 TYR H H 1 8.63 0.02 A 22 TYR HA H 1 4.05 0.02 A 22 TYR HBx H 1 2.98 0.02 A 22 TYR HBy H 1 3.10 0.02 A 22 TYR HDx H 1 7.13 0.02 A 22 TYR HDy H 1 7.13 0.02 A 22 TYR HEx H 1 6.88 0.02 A 22 TYR HEy H 1 6.88 0.02 A 23 ALA H H 1 8.05 0.02 A 23 ALA HA H 1 4.14 0.02 A 23 ALA HB% H 1 1.51 0.02 A 24 SER H H 1 8.11 0.02 A 24 SER HA H 1 4.33 0.02 A 24 SER HBx H 1 3.96 0.02 A 24 SER HBy H 1 4.06 0.02 A 25 LEU HA H 1 4.09 0.02 A 25 LEU HBx H 1 1.22 0.02 A 25 LEU HBy H 1 1.22 0.02 A 25 LEU HDx% H 1 0.83 0.02 A 25 LEU HG H 1 1.34 0.02 A 26 ARG H H 1 8.07 0.04 A 26 ARG HA H 1 4.01 0.02 A 26 ARG HBx H 1 1.86 0.02 A 26 ARG HBy H 1 1.86 0.02 A 26 ARG HDx H 1 3.17 0.02 A 26 ARG HDy H 1 3.17 0.02 A 26 ARG HE H 1 7.23 0.02 A 26 ARG HGx H 1 1.58 0.02 A 26 ARG HGy H 1 1.73 0.02 A 27 HIS H H 1 7.96 0.02 A 27 HIS HA H 1 4.47 0.02 A 27 HIS HBy H 1 3.32 0.02 A 27 HIS HBx H 1 3.27 0.02 A 28 TYR H H 1 8.15 0.02 A 28 TYR HA H 1 4.27 0.02 A 28 TYR HBx H 1 3.11 0.02 A 28 TYR HBy H 1 3.11 0.02 A 28 TYR HDx H 1 7.06 0.02 A 28 TYR HDy H 1 7.06 0.02 A 29 LEU H H 1 8.37 0.02 A 29 LEU HA H 1 4.01 0.02 A 29 LEU HBx H 1 1.73 0.02 A 29 LEU HBy H 1 1.73 0.02 A 29 LEU HDx% H 1 0.84 0.02 A 30 ASN H H 1 8.03 0.02 A 30 ASN HA H 1 4.52 0.02 A 30 ASN HBx H 1 2.81 0.02 A 30 ASN HBy H 1 2.81 0.02 A 30 ASN HD2y H 1 7.56 0.02 A 30 ASN HD2x H 1 6.89 0.02 A 31 LEU H H 1 7.77 0.02 A 31 LEU HA H 1 4.18 0.02 A 31 LEU HBx H 1 1.53 0.02 A 31 LEU HBy H 1 1.53 0.02 A 31 LEU HDx% H 1 0.80 0.02 A 31 LEU HG H 1 1.65 0.02 A 32 VAL H H 1 7.91 0.02 A 32 VAL HA H 1 3.99 0.02 A 32 VAL HB H 1 2.01 0.02 A 32 VAL HGx% H 1 0.80 0.02 A 33 THR H H 1 7.92 0.02 A 33 THR HA H 1 4.22 0.02 A 33 THR HB H 1 4.22 0.02 A 33 THR HG2% H 1 1.21 0.02 A 34 ARG H H 1 8.00 0.02 A 34 ARG HA H 1 4.26 0.02 A 34 ARG HBy H 1 1.85 0.02 A 34 ARG HBx H 1 1.79 0.02 A 34 ARG HDx H 1 3.16 0.02 A 34 ARG HDy H 1 3.16 0.02 A 34 ARG HE H 1 7.16 0.02 A 34 ARG HGx H 1 1.64 0.02 A 34 ARG HGy H 1 1.64 0.02 A 35 GLN H H 1 8.20 0.02 A 35 GLN HA H 1 4.22 0.02 A 35 GLN HBx H 1 1.98 0.02 A 35 GLN HBy H 1 1.98 0.02 A 35 GLN HGx H 1 2.33 0.02 A 35 GLN HGy H 1 2.33 0.02 A 36 ARG H H 1 8.20 0.02 A 36 ARG HA H 1 4.20 0.02 A 36 ARG HBx H 1 1.67 0.02 A 36 ARG HBy H 1 1.67 0.02 A 36 ARG HDx H 1 3.11 0.02 A 36 ARG HDy H 1 3.11 0.02 A 36 ARG HE H 1 7.11 0.02 A 36 ARG HGx H 1 1.45 0.02 A 36 ARG HGy H 1 1.45 0.02 A 37 TYR H H 1 8.09 0.02 A 37 TYR HA H 1 4.55 0.02 A 37 TYR HBy H 1 3.09 0.02 A 37 TYR HBx H 1 2.88 0.02 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 13 ALA H A 13 ALA HA 1.0 . 1.8 2 2 A 23 ALA H A 23 ALA HA 1.0 . 1.8 3 3 A 8 ALA H A 8 ALA HA 1.0 . 1.8 4 4 A 12 ASP H A 12 ASP HA 1.0 . 1.8 5 5 A 12 ASP H A 12 ASP HBx 1.0 . 1.8 6 6 A 12 ASP H A 12 ASP HBy 1.0 . 1.8 7 7 A 11 GLU H A 11 GLU HA 1.0 . 1.8 8 8 A 16 GLU H A 16 GLU HA 1.0 . 1.8 9 9 A 16 GLU H A 17 GLU H 1.0 . 1.8 10 10 A 17 GLU H A 17 GLU HA 1.0 . 1.8 11 11 A 10 GLY H A 10 GLY HAx 1.0 . 1.8 12 12 A 10 GLY H A 10 GLY HAy 1.0 . 1.8 13 13 A 27 HIS H A 27 HIS HA 1.0 . 1.8 14 14 A 27 HIS H A 27 HIS HBy 1.0 . 1.8 15 15 A 18 LEU H A 18 LEU HBx 1.0 . 1.8 16 16 A 18 LEU H A 18 LEU HBy 1.0 . 1.8 17 17 A 29 LEU H A 29 LEU HBx 1.0 . 1.8 18 18 A 31 LEU H A 31 LEU HA 1.0 . 1.8 19 19 A 19 ASN H A 19 ASN HA 1.0 . 1.8 20 20 A 18 LEU HBx A 19 ASN H 1.0 . 1.8 21 21 A 18 LEU HBy A 19 ASN H 1.0 . 1.8 22 22 A 19 ASN H A 20 ARG HA 1.0 . 1.8 23 23 A 30 ASN H A 30 ASN HA 1.0 . 1.8 24 24 A 30 ASN H A 30 ASN HBx 1.0 . 1.8 25 25 A 30 ASN H A 30 ASN HBy 1.0 . 1.8 26 26 A 35 GLN H A 35 GLN HBx 1.0 . 1.8 27 27 A 35 GLN H A 35 GLN HBy 1.0 . 1.8 28 28 A 20 ARG HA A 20 ARG H 1.0 . 1.8 29 29 A 14 SER H A 14 SER HBy 1.0 . 1.8 30 30 A 14 SER H A 14 SER HA 1.0 . 1.8 31 31 A 24 SER H A 24 SER HA 1.0 . 1.8 32 32 A 24 SER H A 24 SER HBy 1.0 . 1.8 33 33 A 24 SER H A 24 SER HBx 1.0 . 1.8 34 34 A 32 VAL H A 32 VAL HA 1.0 . 1.8 35 35 A 32 VAL H A 32 VAL HB 1.0 . 1.8 36 36 A 21 TYR H A 21 TYR HA 1.0 . 1.8 37 37 A 21 TYR H A 21 TYR HBy 1.0 . 1.8 38 38 A 21 TYR H A 21 TYR HBx 1.0 . 1.8 39 39 A 22 TYR H A 22 TYR HA 1.0 . 1.8 40 40 A 22 TYR H A 22 TYR HBx 1.0 . 1.8 41 41 A 22 TYR H A 22 TYR HBy 1.0 . 1.8 42 42 A 28 TYR H A 28 TYR HA 1.0 . 1.8 43 43 A 28 TYR H A 28 TYR HBx 1.0 . 1.8 44 44 A 28 TYR H A 28 TYR HBy 1.0 . 1.8 45 45 A 37 TYR H A 37 TYR HA 1.0 . 1.8 46 46 A 37 TYR H A 36 ARG HA 1.0 . 1.8 47 47 A 37 TYR H A 37 TYR HBy 1.0 . 1.8 48 48 A 37 TYR H A 37 TYR HBx 1.0 . 1.8 49 49 A 13 ALA H A 12 ASP HA 1.0 . 1.8 50 50 A 23 ALA H A 22 TYR HA 1.0 . 1.8 51 51 A 12 ASP H A 11 GLU HA 1.0 . 1.8 52 52 A 13 ALA H A 12 ASP H 1.0 . 1.8 53 53 A 12 ASP H A 11 GLU H 1.0 . 1.8 54 54 A 11 GLU H A 10 GLY H 1.0 . 1.8 55 55 A 17 GLU H A 16 GLU HBx 1.0 . 1.8 56 56 A 17 GLU H A 16 GLU HBy 1.0 . 1.8 57 57 A 17 GLU H A 18 LEU H 1.0 . 1.8 58 58 A 16 GLU HA A 17 GLU H 1.0 . 1.8 59 59 A 7 GLU H A 6 PRO HA 1.0 . 1.8 60 60 A 10 GLY H A 9 PRO HA 1.0 . 1.8 61 61 A 27 HIS H A 26 ARG HA 1.0 . 1.8 62 62 A 27 HIS H A 28 TYR H 1.0 . 1.8 63 63 A 18 LEU H A 14 SER HA 1.0 . 1.8 64 64 A 31 LEU H A 30 ASN HA 1.0 . 1.8 65 65 A 29 LEU HBx A 30 ASN H 1.0 . 1.8 66 66 A 30 ASN H A 29 LEU HBy 1.0 . 1.8 67 67 A 29 LEU H A 30 ASN H 1.0 . 1.8 68 68 A 35 GLN H A 34 ARG HDx 1.0 . 1.8 69 69 A 19 ASN HA A 20 ARG H 1.0 . 1.8 70 70 A 20 ARG H A 19 ASN HBx 1.0 . 1.8 71 71 A 20 ARG H A 19 ASN HBy 1.0 . 1.8 72 72 A 31 LEU H A 32 VAL H 1.0 . 1.8 73 73 A 19 ASN H A 22 TYR H 1.0 . 1.8 74 74 A 21 TYR H A 22 TYR H 1.0 . 1.8 75 75 A 27 HIS HA A 28 TYR H 1.0 . 1.8 76 76 A 27 HIS HBy A 28 TYR H 1.0 . 1.8 77 77 A 28 TYR H A 27 HIS HBx 1.0 . 1.8 78 78 A 16 GLU HA A 19 ASN HBx 1.0 . 1.8 79 79 A 16 GLU HA A 19 ASN HBy 1.0 . 1.8 80 80 A 21 TYR HBx A 18 LEU HA 1.0 . 1.8 81 81 A 21 TYR HBy A 18 LEU HA 1.0 . 1.8 82 82 A 8 ALA HA A 9 PRO HA 1.0 . 1.8 83 83 A 3 ILE HA A 3 ILE HB 1.0 . 1.8 84 84 A 6 PRO HDx A 6 PRO HDy 1.0 . 1.8 85 85 A 21 TYR HA A 21 TYR HBy 1.0 . 1.8 86 86 A 21 TYR HA A 21 TYR HBx 1.0 . 1.8 87 87 A 22 TYR HA A 22 TYR HBy 1.0 . 1.8 88 88 A 22 TYR HA A 22 TYR HBx 1.0 . 1.8 89 89 A 30 ASN HA A 30 ASN HBx 1.0 . 1.8 90 90 A 30 ASN HA A 30 ASN HBy 1.0 . 1.8 91 91 A 19 ASN HA A 19 ASN HBy 1.0 . 1.8 92 92 A 19 ASN HA A 19 ASN HBx 1.0 . 1.8 93 93 A 32 VAL HA A 32 VAL HB 1.0 . 1.8 stop_ save_