data_nef_c34213_6f7m 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 6F7M 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 ACE C 1 2 LYS N 1 14 ARG C 1 15 MK8 N 1 15 MK8 C 1 16 ALA N 1 15 MK8 CE 1 19 MK8 CE 1 18 SER C 1 19 MK8 N 1 19 MK8 C 1 20 LEU N 1 26 VAL C 1 27 NH2 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 ACE start . . 2 A 2 LYS middle -H2 . 3 A 3 ARG middle . . 4 A 4 ILE middle . . 5 A 5 GLY middle . false 6 A 6 VAL middle . . 7 A 7 ARG middle . . 8 A 8 LEU middle . . 9 A 9 PRO middle . false 10 A 10 GLY middle . false 11 A 11 HIS middle . . 12 A 12 GLN middle . . 13 A 13 LYS middle . . 14 A 14 ARG middle -OXT . 15 A 15 MK8 middle -HNA,-OXT . 16 A 16 ALA middle -H2 . 17 A 17 TYR middle . . 18 A 18 SER middle -OXT . 19 A 19 MK8 middle -HNA,-OXT . 20 A 20 LEU middle -H2 . 21 A 21 GLY middle . false 22 A 22 LEU middle . . 23 A 23 LYS middle . . 24 A 24 ASP middle . . 25 A 25 GLN middle . . 26 A 26 VAL middle -OXT . 27 A 27 NH2 end . . 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 ACE H H 1 2.06 0.01 A 2 LYS H H 1 8.14 0.01 A 2 LYS HA H 1 4.27 0.01 A 2 LYS HBy H 1 1.81 0.01 A 2 LYS HBx H 1 1.76 0.01 A 2 LYS HD2 H 1 1.72 0.01 A 2 LYS HD3 H 1 1.72 0.01 A 2 LYS HE2 H 1 3.01 0.01 A 2 LYS HE3 H 1 3.01 0.01 A 2 LYS HGy H 1 1.49 0.01 A 2 LYS HGx H 1 1.45 0.01 A 3 ARG H H 1 8.20 0.01 A 3 ARG HA H 1 4.43 0.01 A 3 ARG HBy H 1 1.82 0.01 A 3 ARG HBx H 1 1.75 0.01 A 3 ARG HD2 H 1 3.18 0.01 A 3 ARG HD3 H 1 3.18 0.01 A 3 ARG HGy H 1 1.61 0.01 A 3 ARG HGx H 1 1.56 0.01 A 4 ILE H H 1 8.00 0.01 A 4 ILE HA H 1 4.20 0.01 A 4 ILE HB H 1 1.90 0.01 A 4 ILE HD1% H 1 0.89 0.01 A 4 ILE HG1y H 1 1.52 0.01 A 4 ILE HG1x H 1 1.22 0.01 A 4 ILE HG2% H 1 0.94 0.01 A 5 GLY H H 1 7.85 0.01 A 5 GLY HAy H 1 3.99 0.01 A 5 GLY HAx H 1 3.93 0.01 A 6 VAL H H 1 7.69 0.01 A 6 VAL HA H 1 4.12 0.01 A 6 VAL HB H 1 2.07 0.01 A 6 VAL HGx% H 1 0.93 0.01 A 6 VAL HGy% H 1 0.93 0.01 A 7 ARG H H 1 8.20 0.01 A 7 ARG HA H 1 4.41 0.01 A 7 ARG HB2 H 1 1.85 0.01 A 7 ARG HB3 H 1 1.85 0.01 A 7 ARG HD2 H 1 3.22 0.01 A 7 ARG HD3 H 1 3.22 0.01 A 7 ARG HGy H 1 1.64 0.01 A 7 ARG HGx H 1 1.59 0.01 A 8 LEU H H 1 8.08 0.01 A 8 LEU HA H 1 4.66 0.01 A 8 LEU HBy H 1 1.56 0.01 A 8 LEU HBx H 1 1.52 0.01 A 8 LEU HD1% H 1 0.90 0.01 A 8 LEU HD2% H 1 0.90 0.01 A 8 LEU HG H 1 1.65 0.01 A 9 PRO HA H 1 4.47 0.01 A 9 PRO HBy H 1 2.35 0.01 A 9 PRO HBx H 1 1.92 0.01 A 9 PRO HDy H 1 3.85 0.01 A 9 PRO HDx H 1 3.65 0.01 A 9 PRO HG2 H 1 2.06 0.01 A 9 PRO HG3 H 1 2.06 0.01 A 10 GLY H H 1 8.31 0.01 A 10 GLY HA2 H 1 3.96 0.01 A 10 GLY HA3 H 1 3.96 0.01 A 11 HIS H H 1 8.07 0.01 A 11 HIS HA H 1 4.47 0.01 A 11 HIS HB2 H 1 3.20 0.01 A 11 HIS HB3 H 1 3.20 0.01 A 11 HIS HD1 H 1 7.00 0.01 A 11 HIS HE1 H 1 7.73 0.01 A 12 GLN H H 1 8.20 0.01 A 12 GLN HA H 1 4.16 0.01 A 12 GLN HBy H 1 2.12 0.01 A 12 GLN HBx H 1 2.02 0.01 A 12 GLN HE2y H 1 7.29 0.01 A 12 GLN HE2x H 1 6.71 0.01 A 12 GLN HG2 H 1 2.33 0.01 A 12 GLN HG3 H 1 2.33 0.01 A 13 LYS H H 1 7.98 0.01 A 13 LYS HA H 1 4.09 0.01 A 13 LYS HB2 H 1 1.87 0.01 A 13 LYS HB3 H 1 1.87 0.01 A 13 LYS HD2 H 1 1.72 0.01 A 13 LYS HD3 H 1 1.72 0.01 A 13 LYS HE2 H 1 3.00 0.01 A 13 LYS HE3 H 1 3.00 0.01 A 13 LYS HGy H 1 1.50 0.01 A 13 LYS HGx H 1 1.40 0.01 A 14 ARG H H 1 7.82 0.01 A 14 ARG HA H 1 4.09 0.01 A 14 ARG HBy H 1 1.93 0.01 A 14 ARG HBx H 1 1.86 0.01 A 14 ARG HD2 H 1 3.20 0.01 A 14 ARG HD3 H 1 3.20 0.01 A 14 ARG HG2 H 1 1.62 0.01 A 14 ARG HG3 H 1 1.62 0.01 A 15 MK8 Hy H 1 2.03 0.01 A 15 MK8 HBx H 1 2.01 0.01 A 15 MK8 HB1% H 1 1.52 0.01 A 15 MK8 Hy H 1 2.03 0.01 A 15 MK8 HDx H 1 1.67 0.01 A 15 MK8 HE H 1 5.44 0.01 A 15 MK8 HG H 1 1.18 0.01 A 15 MK8 HGA H 1 1.18 0.01 A 15 MK8 HN H 1 8.03 0.01 A 16 ALA H H 1 8.21 0.01 A 16 ALA HA H 1 4.02 0.01 A 16 ALA HB% H 1 1.46 0.01 A 17 TYR H H 1 7.86 0.01 A 17 TYR HA H 1 4.19 0.01 A 17 TYR HB2 H 1 3.19 0.01 A 17 TYR HB3 H 1 3.19 0.01 A 17 TYR HDy H 1 7.16 0.01 A 17 TYR HDx H 1 7.14 0.01 A 17 TYR HEy H 1 6.80 0.01 A 17 TYR HEx H 1 6.79 0.01 A 18 SER H H 1 7.60 0.01 A 18 SER HA H 1 4.36 0.01 A 18 SER HBy H 1 4.13 0.01 A 18 SER HBx H 1 4.01 0.01 A 19 MK8 Hy H 1 2.09 0.01 A 19 MK8 HBx H 1 2.05 0.01 A 19 MK8 HB1% H 1 1.45 0.01 A 19 MK8 Hy H 1 2.09 0.01 A 19 MK8 HDx H 1 1.69 0.01 A 19 MK8 HE H 1 5.40 0.01 A 19 MK8 Hy H 1 2.09 0.01 A 19 MK8 HGx H 1 1.37 0.01 A 19 MK8 HN H 1 8.37 0.01 A 20 LEU H H 1 8.21 0.01 A 20 LEU HA H 1 4.20 0.01 A 20 LEU HBy H 1 1.86 0.01 A 20 LEU HBx H 1 1.59 0.01 A 20 LEU HD1% H 1 0.87 0.01 A 20 LEU HD2% H 1 0.87 0.01 A 20 LEU HG H 1 1.83 0.01 A 21 GLY H H 1 7.85 0.01 A 21 GLY HA2 H 1 3.98 0.01 A 21 GLY HA3 H 1 3.98 0.01 A 22 LEU H H 1 7.78 0.01 A 22 LEU HA H 1 4.30 0.01 A 22 LEU HB2 H 1 1.61 0.01 A 22 LEU HB3 H 1 1.61 0.01 A 22 LEU HD1% H 1 0.82 0.01 A 22 LEU HD2% H 1 0.82 0.01 A 22 LEU HG H 1 1.62 0.01 A 23 LYS H H 1 7.96 0.01 A 23 LYS HA H 1 4.21 0.01 A 23 LYS HB2 H 1 1.86 0.01 A 23 LYS HB3 H 1 1.86 0.01 A 23 LYS HD2 H 1 1.71 0.01 A 23 LYS HD3 H 1 1.71 0.01 A 23 LYS HE2 H 1 3.02 0.01 A 23 LYS HE3 H 1 3.02 0.01 A 23 LYS HGy H 1 1.49 0.01 A 23 LYS HGx H 1 1.45 0.01 A 24 ASP H H 1 8.15 0.01 A 24 ASP HA H 1 4.63 0.01 A 24 ASP HBy H 1 2.75 0.01 A 24 ASP HBx H 1 2.68 0.01 A 25 GLN H H 1 8.07 0.01 A 25 GLN HA H 1 4.35 0.01 A 25 GLN HBy H 1 2.20 0.01 A 25 GLN HBx H 1 2.06 0.01 A 25 GLN HE2y H 1 7.48 0.01 A 25 GLN HE2x H 1 6.70 0.01 A 25 GLN HG2 H 1 2.39 0.01 A 25 GLN HG3 H 1 2.39 0.01 A 26 VAL H H 1 7.91 0.01 A 26 VAL HA H 1 4.10 0.01 A 26 VAL HB H 1 2.13 0.01 A 26 VAL HG1% H 1 0.98 0.01 A 26 VAL HG2% H 1 0.98 0.01 A 27 NH2 HNy H 1 7.47 0.01 A 27 NH2 HNx H 1 6.98 0.01 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 8 LEU H A 8 LEU HBx 1.0 . 3.73 2 2 A 8 LEU H A 7 ARG HA 1.0 . 3.02 3 3 A 4 ILE H A 4 ILE HB 1.0 . 3.89 4 4 A 26 VAL H A 26 VAL HB 1.0 . 3.92 5 5 A 25 GLN H A 25 GLN HBy 1.0 . 4.07 6 6 A 25 GLN H A 25 GLN HBx 1.0 . 4.07 7 7 A 20 LEU H A 20 LEU HBy 1.0 . 3.45 8 8 A 20 LEU H A 20 LEU HBx 1.0 . 3.45 9 9 A 18 SER H A 18 SER HBy 1.0 . 3.55 10 10 A 18 SER H A 17 TYR HB2 1.0 . 4.49 11 10 A 18 SER H A 17 TYR HB3 1.0 . 4.49 12 11 A 23 LYS H A 23 LYS HB2 1.0 . 4.12 13 11 A 23 LYS H A 23 LYS HB3 1.0 . 4.12 14 12 A 21 GLY H A 20 LEU HBy 1.0 . 3.73 15 13 A 21 GLY H A 20 LEU HBx 1.0 . 3.73 16 14 A 20 LEU H A 18 SER HA 1.0 . 4.66 17 15 A 20 LEU H A 21 GLY H 1.0 . 3.24 18 16 A 23 LYS H A 22 LEU H 1.0 . 3.55 19 17 A 16 ALA H A 17 TYR H 1.0 . 3.83 20 18 A 18 SER H A 18 SER HBx 1.0 . 3.55 21 19 A 18 SER H A 17 TYR H 1.0 . 3.30 22 20 A 23 LYS H A 22 LEU HB2 1.0 . 4.65 23 20 A 23 LYS H A 22 LEU HB3 1.0 . 4.65 24 21 A 8 LEU H A 8 LEU HBy 1.0 . 3.73 25 22 A 24 ASP H A 23 LYS HB2 1.0 . 5.36 26 22 A 23 LYS HB3 A 24 ASP H 1.0 . 5.36 27 23 A 21 GLY H A 18 SER HA 1.0 . 4.14 28 24 A 22 LEU H A 20 LEU HA 1.0 . 3.70 29 25 A 23 LYS H A 21 GLY HA2 1.0 . 5.45 30 25 A 23 LYS H A 21 GLY HA3 1.0 . 5.45 31 26 A 26 VAL H A 25 GLN H 1.0 . 4.48 32 27 A 20 LEU H A 22 LEU H 1.0 . 5.00 33 28 A 18 SER H A 16 ALA H 1.0 . 5.25 34 29 A 14 ARG HA A 17 TYR HB2 1.0 . 4.86 35 29 A 17 TYR HB3 A 14 ARG HA 1.0 . 4.86 36 30 A 23 LYS H A 24 ASP H 1.0 . 4.66 37 31 A 20 LEU HA A 23 LYS HB2 1.0 . 5.20 38 31 A 23 LYS HB3 A 20 LEU HA 1.0 . 5.20 39 32 A 22 LEU HA A 25 GLN HBx 1.0 . 5.22 40 33 A 22 LEU HA A 25 GLN HBy 1.0 . 5.22 41 34 A 3 ARG H A 3 ARG HBy 1.0 . 3.70 42 35 A 3 ARG H A 3 ARG HBx 1.0 . 3.70 43 36 A 17 TYR HA A 20 LEU HBy 1.0 . 4.01 44 37 A 17 TYR HA A 20 LEU HBx 1.0 . 4.01 45 38 A 24 ASP HBy A 21 GLY HA2 1.0 . 6.38 46 38 A 21 GLY HA3 A 24 ASP HBy 1.0 . 6.38 47 39 A 24 ASP HBx A 21 GLY HA2 1.0 . 6.38 48 39 A 21 GLY HA3 A 24 ASP HBx 1.0 . 6.38 49 40 A 21 GLY H A 22 LEU H 1.0 . 3.55 50 41 A 26 VAL HB A 23 LYS HA 1.0 . 4.01 51 42 A 26 VAL H A 22 LEU HA 1.0 . 4.38 52 43 A 24 ASP H A 20 LEU HA 1.0 . 4.54 53 44 A 23 LYS H A 20 LEU HA 1.0 . 4.07 54 45 A 7 ARG HA A 7 ARG HD2 1.0 . 6.38 55 45 A 7 ARG HA A 7 ARG HD3 1.0 . 6.38 56 46 A 25 GLN H A 25 GLN HG2 1.0 . 6.38 57 46 A 25 GLN H A 25 GLN HG3 1.0 . 6.38 58 47 A 17 TYR HA A 17 TYR HDy 1.0 . 5.50 59 48 A 17 TYR HA A 17 TYR HDx 1.0 . 5.50 60 49 A 11 HIS HA A 11 HIS HD1 1.0 . 5.50 61 50 A 23 LYS HB3 A 23 LYS HE2 1.0 . 7.26 62 50 A 23 LYS HB2 A 23 LYS HE2 1.0 . 7.26 63 50 A 23 LYS HE3 A 23 LYS HB2 1.0 . 7.26 64 50 A 23 LYS HB3 A 23 LYS HE3 1.0 . 7.26 65 51 A 13 LYS HB3 A 13 LYS HE2 1.0 . 7.26 66 51 A 13 LYS HE3 A 13 LYS HB2 1.0 . 7.26 67 51 A 13 LYS HB3 A 13 LYS HE3 1.0 . 7.26 68 51 A 13 LYS HB2 A 13 LYS HE2 1.0 . 7.26 69 52 A 13 LYS HA A 13 LYS HD2 1.0 . 6.38 70 52 A 13 LYS HA A 13 LYS HD3 1.0 . 6.38 71 53 A 14 ARG HA A 14 ARG HD2 1.0 . 5.05 72 53 A 14 ARG HA A 14 ARG HD3 1.0 . 5.05 73 54 A 17 TYR H A 17 TYR HDy 1.0 . 5.50 74 55 A 8 LEU H A 8 LEU HG 1.0 . 4.72 75 56 A 12 GLN H A 12 GLN HG2 1.0 . 6.38 76 56 A 12 GLN H A 12 GLN HG3 1.0 . 6.38 77 57 A 11 HIS HA A 11 HIS HE1 1.0 . 5.50 78 58 A 11 HIS HE1 A 9 PRO HG2 1.0 . 6.39 79 58 A 11 HIS HE1 A 9 PRO HG3 1.0 . 6.39 80 59 A 11 HIS HE1 A 9 PRO HBy 1.0 . 5.50 81 60 A 11 HIS HE1 A 9 PRO HBx 1.0 . 5.50 82 61 A 21 GLY H A 20 LEU HG 1.0 . 4.88 83 62 A 22 LEU HA A 25 GLN HG2 1.0 . 6.38 84 62 A 22 LEU HA A 25 GLN HG3 1.0 . 6.38 85 63 A 3 ARG H A 3 ARG HGy 1.0 . 4.20 86 64 A 3 ARG H A 3 ARG HGx 1.0 . 4.20 87 65 A 14 ARG H A 14 ARG HG2 1.0 . 6.38 88 65 A 14 ARG H A 14 ARG HG3 1.0 . 6.38 89 66 A 17 TYR HDy A 20 LEU HBy 1.0 . 5.50 90 67 A 17 TYR HDy A 20 LEU HBx 1.0 . 5.50 91 68 A 17 TYR HDx A 20 LEU HBy 1.0 . 5.50 92 69 A 17 TYR HDx A 20 LEU HBx 1.0 . 5.50 93 70 A 17 TYR HEx A 20 LEU HBy 1.0 . 5.50 94 71 A 17 TYR HEx A 20 LEU HBx 1.0 . 5.50 95 72 A 17 TYR HDy A 20 LEU HG 1.0 . 5.50 96 73 A 17 TYR HDx A 20 LEU HG 1.0 . 5.50 97 74 A 20 LEU HG A 17 TYR HEx 1.0 . 5.50 98 75 A 8 LEU HG A 9 PRO HDy 1.0 . 5.50 99 76 A 8 LEU HG A 9 PRO HDx 1.0 . 5.50 100 77 A 9 PRO HDy A 8 LEU HBy 1.0 . 5.50 101 78 A 8 LEU HBy A 9 PRO HDx 1.0 . 5.50 102 79 A 8 LEU HBx A 9 PRO HDy 1.0 . 5.50 103 80 A 8 LEU HBx A 9 PRO HDx 1.0 . 5.50 104 81 A 11 HIS HD1 A 9 PRO HG2 1.0 . 6.39 105 81 A 11 HIS HD1 A 9 PRO HG3 1.0 . 6.39 106 82 A 17 TYR HEx A 14 ARG HG2 1.0 . 6.38 107 82 A 14 ARG HG3 A 17 TYR HEx 1.0 . 6.38 108 83 A 17 TYR HDx A 14 ARG HG2 1.0 . 6.38 109 83 A 17 TYR HDx A 14 ARG HG3 1.0 . 6.38 110 84 A 17 TYR HDy A 14 ARG HG2 1.0 . 6.38 111 84 A 17 TYR HDy A 14 ARG HG3 1.0 . 6.38 112 85 A 8 LEU HA A 8 LEU HD1% 1.0 . 6.76 113 85 A 8 LEU HA A 8 LEU HD2% 1.0 . 6.76 114 86 A 6 VAL H A 6 VAL HGx% 1.0 . 7.07 115 86 A 6 VAL H A 6 VAL HGy% 1.0 . 7.07 116 87 A 4 ILE H A 4 ILE HG2% 1.0 . 6.52 117 88 A 4 ILE HA A 4 ILE HD1% 1.0 . 4.51 118 89 A 26 VAL H A 26 VAL HG1% 1.0 . 7.60 119 89 A 26 VAL H A 26 VAL HG2% 1.0 . 7.60 120 90 A 20 LEU HA A 20 LEU HD1% 1.0 . 7.60 121 90 A 20 LEU HA A 20 LEU HD2% 1.0 . 7.60 122 91 A 22 LEU H A 22 LEU HD1% 1.0 . 7.60 123 91 A 22 LEU H A 22 LEU HD2% 1.0 . 7.60 124 92 A 22 LEU HA A 22 LEU HD1% 1.0 . 6.26 125 92 A 22 LEU HA A 22 LEU HD2% 1.0 . 6.26 126 93 A 21 GLY H A 20 LEU HD1% 1.0 . 6.64 127 93 A 21 GLY H A 20 LEU HD2% 1.0 . 6.64 128 94 A 20 LEU H A 20 LEU HD1% 1.0 . 7.60 129 94 A 20 LEU H A 20 LEU HD2% 1.0 . 7.60 130 95 A 17 TYR H A 16 ALA HB% 1.0 . 4.32 131 96 A 23 LYS H A 22 LEU HD1% 1.0 . 7.60 132 96 A 23 LYS H A 22 LEU HD2% 1.0 . 7.60 133 97 A 8 LEU H A 8 LEU HD1% 1.0 . 7.60 134 97 A 8 LEU H A 8 LEU HD2% 1.0 . 7.60 135 98 A 13 LYS HA A 16 ALA HB% 1.0 . 4.94 136 99 A 11 HIS HE1 A 8 LEU HD1% 1.0 . 7.60 137 99 A 11 HIS HE1 A 8 LEU HD2% 1.0 . 7.60 138 100 A 17 TYR HDy A 20 LEU HD1% 1.0 . 7.60 139 100 A 17 TYR HDy A 20 LEU HD2% 1.0 . 7.60 140 101 A 17 TYR HDx A 20 LEU HD1% 1.0 . 7.60 141 101 A 17 TYR HDx A 20 LEU HD2% 1.0 . 7.60 142 102 A 17 TYR HEx A 20 LEU HD1% 1.0 . 7.60 143 102 A 17 TYR HEx A 20 LEU HD2% 1.0 . 7.60 144 103 A 8 LEU HD2% A 9 PRO HDy 1.0 . 7.60 145 103 A 9 PRO HDy A 8 LEU HD1% 1.0 . 7.60 146 104 A 8 LEU HD2% A 9 PRO HDx 1.0 . 7.60 147 104 A 8 LEU HD1% A 9 PRO HDx 1.0 . 7.60 148 105 A 3 ARG H A 3 ARG HBx 1.0 . 3.21 149 105 A 3 ARG H A 3 ARG HBy 1.0 . 3.21 150 106 A 3 ARG H A 3 ARG HGx 1.0 . 3.45 151 106 A 3 ARG H A 3 ARG HGy 1.0 . 3.45 152 107 A 4 ILE HA A 4 ILE HG1y 1.0 . 3.24 153 107 A 4 ILE HA A 4 ILE HG1x 1.0 . 3.24 154 108 A 8 LEU H A 8 LEU HBy 1.0 . 3.27 155 108 A 8 LEU H A 8 LEU HBx 1.0 . 3.27 156 109 A 8 LEU HA A 9 PRO HDx 1.0 . 3.12 157 109 A 8 LEU HA A 9 PRO HDy 1.0 . 3.12 158 110 A 8 LEU HBy A 9 PRO HDx 1.0 . 3.80 159 110 A 8 LEU HBx A 9 PRO HDx 1.0 . 3.80 160 110 A 9 PRO HDy A 8 LEU HBy 1.0 . 3.80 161 110 A 8 LEU HBx A 9 PRO HDy 1.0 . 3.80 162 111 A 11 HIS HD1 A 8 LEU HBy 1.0 . 5.34 163 111 A 11 HIS HD1 A 8 LEU HBx 1.0 . 5.34 164 112 A 11 HIS HE1 A 8 LEU HBy 1.0 . 5.34 165 112 A 11 HIS HE1 A 8 LEU HBx 1.0 . 5.34 166 113 A 11 HIS HD1 A 9 PRO HBx 1.0 . 5.34 167 113 A 11 HIS HD1 A 9 PRO HBy 1.0 . 5.34 168 114 A 11 HIS HE1 A 9 PRO HBx 1.0 . 4.66 169 114 A 11 HIS HE1 A 9 PRO HBy 1.0 . 4.66 170 115 A 17 TYR HA A 20 LEU HBy 1.0 . 3.50 171 115 A 17 TYR HA A 20 LEU HBx 1.0 . 3.50 172 116 A 17 TYR HEy A 20 LEU HBy 1.0 . 7.32 173 116 A 20 LEU HBx A 17 TYR HEy 1.0 . 7.32 174 116 A 17 TYR HEx A 20 LEU HBx 1.0 . 7.32 175 116 A 17 TYR HEx A 20 LEU HBy 1.0 . 7.32 176 117 A 17 TYR HDx A 20 LEU HBy 1.0 . 4.84 177 117 A 17 TYR HDx A 20 LEU HBx 1.0 . 4.84 178 118 A 22 LEU H A 20 LEU HBy 1.0 . 4.65 179 118 A 22 LEU H A 20 LEU HBx 1.0 . 4.65 180 119 A 22 LEU HA A 25 GLN HBx 1.0 . 4.59 181 119 A 22 LEU HA A 25 GLN HBy 1.0 . 4.59 182 120 A 23 LYS H A 23 LYS HGy 1.0 . 4.60 183 120 A 23 LYS H A 23 LYS HGx 1.0 . 4.60 184 121 A 23 LYS HA A 23 LYS HGy 1.0 . 3.74 185 121 A 23 LYS HA A 23 LYS HGx 1.0 . 3.74 186 122 A 25 GLN H A 25 GLN HBx 1.0 . 3.47 187 122 A 25 GLN H A 25 GLN HBy 1.0 . 3.47 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type undefined _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ACE C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -315.0 -45.0 PHI 2 2 A 1 ACE C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -185.0 75.0 PHI 3 3 A 2 LYS N A 2 LYS CA A 2 LYS CB A 2 LYS CG 1.0 -335.0 -25.0 CHI1 4 4 A 2 LYS N A 2 LYS CA A 2 LYS CB A 2 LYS CG 1.0 -205.0 95.0 CHI1 5 5 A 2 LYS CA A 2 LYS CB A 2 LYS CG A 2 LYS CD 1.0 -325.0 -35.0 CHI2 6 6 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 ARG N 1.0 -85.0 205.0 PSI 7 7 A 2 LYS C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -155.0 -45.0 PHI 8 8 A 3 ARG N A 3 ARG CA A 3 ARG CB A 3 ARG CG 1.0 -335.0 -25.0 CHI1 9 9 A 3 ARG N A 3 ARG CA A 3 ARG CB A 3 ARG CG 1.0 -135.0 95.0 CHI1 10 10 A 3 ARG CA A 3 ARG CB A 3 ARG CG A 3 ARG CD 1.0 -325.0 -35.0 CHI2 11 11 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 ILE N 1.0 -85.0 195.0 PSI 12 12 A 3 ARG C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -315.0 -45.0 PHI 13 13 A 3 ARG C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -185.0 75.0 PHI 14 14 A 4 ILE N A 4 ILE CA A 4 ILE CB A 4 ILE CG1 1.0 -325.0 -25.0 CHI1 15 15 A 4 ILE N A 4 ILE CA A 4 ILE CB A 4 ILE CG1 1.0 -195.0 75.0 CHI1 16 16 A 4 ILE N A 4 ILE CA A 4 ILE CB A 4 ILE CG1 1.0 -75.0 205.0 CHI1 17 17 A 4 ILE CA A 4 ILE CB A 4 ILE CG1 A 4 ILE CD1 1.0 -315.0 -45.0 CHI21 18 18 A 4 ILE CA A 4 ILE CB A 4 ILE CG1 A 4 ILE CD1 1.0 -85.0 195.0 CHI21 19 19 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 GLY N 1.0 -85.0 195.0 PSI 20 20 A 4 ILE C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 -315.0 -45.0 PHI 21 21 A 5 GLY C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -315.0 -45.0 PHI 22 22 A 5 GLY C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -185.0 75.0 PHI 23 23 A 6 VAL N A 6 VAL CA A 6 VAL CB A 6 VAL CG1 1.0 -315.0 -45.0 CHI1 24 24 A 6 VAL N A 6 VAL CA A 6 VAL CB A 6 VAL CG1 1.0 -195.0 85.0 CHI1 25 25 A 6 VAL N A 6 VAL CA A 6 VAL CB A 6 VAL CG1 1.0 -95.0 205.0 CHI1 26 26 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 ARG N 1.0 -85.0 195.0 PSI 27 27 A 6 VAL C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -315.0 -45.0 PHI 28 28 A 6 VAL C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -185.0 75.0 PHI 29 29 A 7 ARG N A 7 ARG CA A 7 ARG CB A 7 ARG CG 1.0 -335.0 -25.0 CHI1 30 30 A 7 ARG N A 7 ARG CA A 7 ARG CB A 7 ARG CG 1.0 -205.0 95.0 CHI1 31 31 A 7 ARG CA A 7 ARG CB A 7 ARG CG A 7 ARG CD 1.0 -325.0 -35.0 CHI2 32 32 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 LEU N 1.0 5.0 195.0 PSI 33 33 A 7 ARG C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -175.0 -45.0 PHI 34 34 A 8 LEU N A 8 LEU CA A 8 LEU CB A 8 LEU CG 1.0 -355.0 -5.0 CHI1 35 35 A 8 LEU N A 8 LEU CA A 8 LEU CB A 8 LEU CG 1.0 -125.0 85.0 CHI1 36 36 A 8 LEU CA A 8 LEU CB A 8 LEU CG A 8 LEU CD1 1.0 35.0 315.0 CHI2 37 37 A 8 LEU CA A 8 LEU CB A 8 LEU CG A 8 LEU CD1 1.0 -75.0 195.0 CHI2 38 38 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 PRO N 1.0 145.0 165.0 PSI 39 39 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 GLY N 1.0 -295.0 5.0 PSI 40 40 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 GLY N 1.0 -55.0 195.0 PSI 41 41 A 9 PRO C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -315.0 -45.0 PHI 42 42 A 10 GLY C A 11 HIS N A 11 HIS CA A 11 HIS C 1.0 -315.0 -45.0 PHI 43 43 A 10 GLY C A 11 HIS N A 11 HIS CA A 11 HIS C 1.0 -185.0 75.0 PHI 44 44 A 11 HIS N A 11 HIS CA A 11 HIS CB A 11 HIS CG 1.0 -205.0 -25.0 CHI1 45 45 A 11 HIS N A 11 HIS CA A 11 HIS C A 12 GLN N 1.0 -85.0 195.0 PSI 46 46 A 11 HIS C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -315.0 -45.0 PHI 47 47 A 11 HIS C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -185.0 75.0 PHI 48 48 A 12 GLN N A 12 GLN CA A 12 GLN CB A 12 GLN CG 1.0 -335.0 -25.0 CHI1 49 49 A 12 GLN N A 12 GLN CA A 12 GLN CB A 12 GLN CG 1.0 -205.0 95.0 CHI1 50 50 A 12 GLN CA A 12 GLN CB A 12 GLN CG A 12 GLN CD 1.0 -345.0 -15.0 CHI2 51 51 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 LYS N 1.0 -85.0 195.0 PSI 52 52 A 12 GLN C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -315.0 -45.0 PHI 53 53 A 12 GLN C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -185.0 75.0 PHI 54 54 A 13 LYS N A 13 LYS CA A 13 LYS CB A 13 LYS CG 1.0 -335.0 -25.0 CHI1 55 55 A 13 LYS N A 13 LYS CA A 13 LYS CB A 13 LYS CG 1.0 -205.0 95.0 CHI1 56 56 A 13 LYS CA A 13 LYS CB A 13 LYS CG A 13 LYS CD 1.0 -325.0 -35.0 CHI2 57 57 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 ARG N 1.0 -85.0 205.0 PSI 58 58 A 13 LYS C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -315.0 -45.0 PHI 59 59 A 13 LYS C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -185.0 75.0 PHI 60 60 A 14 ARG N A 14 ARG CA A 14 ARG CB A 14 ARG CG 1.0 -335.0 -25.0 CHI1 61 61 A 14 ARG N A 14 ARG CA A 14 ARG CB A 14 ARG CG 1.0 -205.0 95.0 CHI1 62 62 A 14 ARG CA A 14 ARG CB A 14 ARG CG A 14 ARG CD 1.0 -325.0 -35.0 CHI2 63 63 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 TYR N 1.0 -85.0 135.0 PSI 64 64 A 16 ALA C A 17 TYR N A 17 TYR CA A 17 TYR C 1.0 -315.0 -45.0 PHI 65 65 A 16 ALA C A 17 TYR N A 17 TYR CA A 17 TYR C 1.0 -185.0 75.0 PHI 66 66 A 17 TYR N A 17 TYR CA A 17 TYR CB A 17 TYR CG 1.0 -335.0 -25.0 CHI1 67 67 A 17 TYR N A 17 TYR CA A 17 TYR CB A 17 TYR CG 1.0 -205.0 95.0 CHI1 68 68 A 17 TYR CA A 17 TYR CB A 17 TYR CG A 17 TYR CD1 1.0 -335.0 -25.0 CHI2 69 69 A 17 TYR CA A 17 TYR CB A 17 TYR CG A 17 TYR CD1 1.0 -155.0 155.0 CHI2 70 70 A 17 TYR N A 17 TYR CA A 17 TYR C A 18 SER N 1.0 -85.0 105.0 PSI 71 71 A 17 TYR C A 18 SER N A 18 SER CA A 18 SER C 1.0 -185.0 -45.0 PHI 72 72 A 20 LEU N A 20 LEU CA A 20 LEU CB A 20 LEU CG 1.0 15.0 335.0 CHI1 73 73 A 20 LEU N A 20 LEU CA A 20 LEU CB A 20 LEU CG 1.0 -315.0 35.0 CHI1 74 74 A 20 LEU N A 20 LEU CA A 20 LEU CB A 20 LEU CG 1.0 -215.0 55.0 CHI1 75 75 A 20 LEU CA A 20 LEU CB A 20 LEU CG A 20 LEU CD1 1.0 -325.0 -35.0 CHI2 76 76 A 20 LEU CA A 20 LEU CB A 20 LEU CG A 20 LEU CD1 1.0 -95.0 205.0 CHI2 77 77 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 GLY N 1.0 -85.0 -5.0 PSI 78 78 A 20 LEU C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 -315.0 -45.0 PHI 79 79 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 LEU N 1.0 -125.0 125.0 PSI 80 80 A 21 GLY C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -315.0 -45.0 PHI 81 81 A 21 GLY C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -185.0 75.0 PHI 82 82 A 22 LEU N A 22 LEU CA A 22 LEU CB A 22 LEU CG 1.0 -355.0 -5.0 CHI1 83 83 A 22 LEU N A 22 LEU CA A 22 LEU CB A 22 LEU CG 1.0 -215.0 105.0 CHI1 84 84 A 22 LEU CA A 22 LEU CB A 22 LEU CG A 22 LEU CD1 1.0 -325.0 -35.0 CHI2 85 85 A 22 LEU CA A 22 LEU CB A 22 LEU CG A 22 LEU CD1 1.0 -95.0 205.0 CHI2 86 86 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 LYS N 1.0 -85.0 115.0 PSI 87 87 A 22 LEU C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -315.0 -45.0 PHI 88 88 A 22 LEU C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -185.0 75.0 PHI 89 89 A 23 LYS N A 23 LYS CA A 23 LYS CB A 23 LYS CG 1.0 -335.0 -25.0 CHI1 90 90 A 23 LYS N A 23 LYS CA A 23 LYS CB A 23 LYS CG 1.0 -205.0 95.0 CHI1 91 91 A 23 LYS CA A 23 LYS CB A 23 LYS CG A 23 LYS CD 1.0 -325.0 -35.0 CHI2 92 92 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 ASP N 1.0 -85.0 195.0 PSI 93 93 A 23 LYS C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -315.0 -45.0 PHI 94 94 A 23 LYS C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -185.0 75.0 PHI 95 95 A 24 ASP N A 24 ASP CA A 24 ASP CB A 24 ASP CG 1.0 -225.0 115.0 CHI1 96 96 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 GLN N 1.0 -85.0 205.0 PSI 97 97 A 24 ASP C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -315.0 -45.0 PHI 98 98 A 24 ASP C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -185.0 75.0 PHI 99 99 A 25 GLN N A 25 GLN CA A 25 GLN CB A 25 GLN CG 1.0 -335.0 -25.0 CHI1 100 100 A 25 GLN N A 25 GLN CA A 25 GLN CB A 25 GLN CG 1.0 -205.0 95.0 CHI1 101 101 A 25 GLN CA A 25 GLN CB A 25 GLN CG A 25 GLN CD 1.0 -345.0 -15.0 CHI2 102 102 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 VAL N 1.0 -85.0 195.0 PSI 103 103 A 25 GLN C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -315.0 -45.0 PHI 104 104 A 25 GLN C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -185.0 75.0 PHI 105 105 A 26 VAL N A 26 VAL CA A 26 VAL CB A 26 VAL CG1 1.0 -315.0 -45.0 CHI1 106 106 A 26 VAL N A 26 VAL CA A 26 VAL CB A 26 VAL CG1 1.0 -195.0 85.0 CHI1 107 107 A 26 VAL N A 26 VAL CA A 26 VAL CB A 26 VAL CG1 1.0 -95.0 205.0 CHI1 108 108 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 NH2 N 1.0 -85.0 195.0 PSI stop_ save_