data_nef_c30248_5uy2 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 5UY2 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 SER start . . 2 A 2 ASP middle . . 3 A 3 THR middle . . 4 A 4 ARG middle . . 5 A 5 TYR middle . . 6 A 6 ASN middle . . 7 A 7 LYS middle . . 8 A 8 ASP middle . . 9 A 9 PHE middle . . 10 A 10 ILE middle . . 11 A 11 ASN middle . . 12 A 12 ASN middle . . 13 A 13 LYS middle . . 14 A 14 HIS middle . . 15 A 15 LEU middle . . 16 A 16 ASN middle . . 17 A 17 GLU middle . . 18 A 18 HIS middle . . 19 A 19 ALA middle . . 20 A 20 HIS 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 SER H1 H 1 8.12 0.02 A 1 SER HA H 1 4.3 0.02 A 1 SER HB2 H 1 3.78 0.02 A 1 SER HB3 H 1 3.7 0.02 A 2 ASP H H 1 8.45 0.02 A 2 ASP HA H 1 4.65 0.02 A 2 ASP HBy H 1 2.82 0.02 A 2 ASP HBx H 1 2.8 0.02 A 3 THR H H 1 7.85 0.02 A 3 THR HA H 1 4.1 0.02 A 3 THR HB H 1 4 0.02 A 3 THR HG2% H 1 1.01 0.02 A 4 ARG H H 1 7.92 0.02 A 4 ARG HA H 1 4 0.02 A 4 ARG HBx H 1 1.6 0.02 A 4 ARG HBy H 1 1.6 0.02 A 4 ARG HDx H 1 2.97 0.02 A 4 ARG HDy H 1 2.97 0.02 A 4 ARG HGx H 1 1.32 0.02 A 4 ARG HGy H 1 1.32 0.02 A 4 ARG HH1x H 1 6.98 0.02 A 4 ARG HH1y H 1 6.98 0.02 A 5 TYR H H 1 7.68 0.02 A 5 TYR HA H 1 4.38 0.02 A 5 TYR HB2 H 1 2.98 0.02 A 5 TYR HB3 H 1 2.76 0.02 A 5 TYR HDx H 1 6.93 0.02 A 5 TYR HDy H 1 6.93 0.02 A 5 TYR HEx H 1 6.65 0.02 A 5 TYR HEy H 1 6.65 0.02 A 6 ASN H H 1 7.85 0.02 A 6 ASN HA H 1 4.5 0.02 A 6 ASN HBx H 1 2.7 0.02 A 6 ASN HBy H 1 2.7 0.02 A 6 ASN HD21 H 1 7.38 0.02 A 6 ASN HD22 H 1 6.66 0.02 A 7 LYS H H 1 8.16 0.02 A 7 LYS HA H 1 4 0.02 A 7 LYS HBx H 1 1.75 0.02 A 7 LYS HBy H 1 1.75 0.02 A 7 LYS HDx H 1 1.58 0.02 A 7 LYS HDy H 1 1.58 0.02 A 7 LYS HEx H 1 2.9 0.02 A 7 LYS HEy H 1 2.9 0.02 A 7 LYS HGx H 1 1.35 0.02 A 7 LYS HGy H 1 1.35 0.02 A 8 ASP H H 1 8.18 0.02 A 8 ASP HA H 1 4.5 0.02 A 8 ASP HBx H 1 2.7 0.02 A 8 ASP HBy H 1 2.7 0.02 A 9 PHE H H 1 7.88 0.02 A 9 PHE HA H 1 4.28 0.02 A 9 PHE HB2 H 1 3.1 0.02 A 9 PHE HB3 H 1 2.97 0.02 A 9 PHE HDx H 1 7.06 0.02 A 9 PHE HDy H 1 7.06 0.02 A 9 PHE HEx H 1 7.06 0.02 A 9 PHE HEy H 1 7.06 0.02 A 10 ILE H H 1 7.7 0.02 A 10 ILE HA H 1 3.72 0.02 A 10 ILE HB H 1 1.75 0.02 A 10 ILE HD1% H 1 0.72 0.02 A 10 ILE HG1x H 1 1.4 0.02 A 10 ILE HG1y H 1 1.55 0.02 A 10 ILE HG2% H 1 1.1 0.02 A 11 ASN H H 1 8.05 0.02 A 11 ASN HA H 1 4.43 0.02 A 11 ASN HBx H 1 2.7 0.02 A 11 ASN HBy H 1 2.7 0.02 A 11 ASN HD21 H 1 7.45 0.02 A 11 ASN HD22 H 1 6.66 0.02 A 12 ASN H H 1 8.02 0.02 A 12 ASN HA H 1 4.5 0.02 A 12 ASN HBx H 1 2.72 0.02 A 12 ASN HBy H 1 2.72 0.02 A 12 ASN HD21 H 1 7.35 0.02 A 12 ASN HD22 H 1 6.67 0.02 A 13 LYS H H 1 8.06 0.02 A 13 LYS HA H 1 4 0.02 A 13 LYS HBx H 1 1.6 0.02 A 13 LYS HBy H 1 1.6 0.02 A 13 LYS HDx H 1 1.66 0.02 A 13 LYS HDy H 1 1.66 0.02 A 13 LYS HEx H 1 3.01 0.02 A 13 LYS HEy H 1 3.01 0.02 A 13 LYS HGx H 1 1.41 0.02 A 13 LYS HGy H 1 1.41 0.02 A 14 HIS H H 1 8.1 0.02 A 14 HIS HA H 1 4.45 0.02 A 14 HIS HB2 H 1 3.28 0.02 A 14 HIS HB3 H 1 3.2 0.02 A 14 HIS HD2 H 1 7.14 0.02 A 14 HIS HE2 H 1 7.45 0.02 A 15 LEU H H 1 7.97 0.02 A 15 LEU HA H 1 4.1 0.02 A 15 LEU HBx H 1 1.6 0.02 A 15 LEU HBy H 1 1.6 0.02 A 15 LEU HDx% H 1 0.78 0.02 A 15 LEU HDy% H 1 0.78 0.02 A 15 LEU HG H 1 1.45 0.02 A 16 ASN H H 1 8.2 0.02 A 16 ASN HA H 1 4.49 0.02 A 16 ASN HBx H 1 2.82 0.02 A 16 ASN HBy H 1 2.82 0.02 A 16 ASN HD21 H 1 7.4 0.02 A 16 ASN HD22 H 1 6.71 0.02 A 17 GLU H H 1 8.01 0.02 A 17 GLU HA H 1 4.1 0.02 A 17 GLU HBx H 1 1.99 0.02 A 17 GLU HBy H 1 1.99 0.02 A 17 GLU HGx H 1 2.31 0.02 A 17 GLU HGy H 1 2.31 0.02 A 18 HIS H H 1 8.18 0.02 A 18 HIS HA H 1 4.5 0.02 A 18 HIS HB2 H 1 3.16 0.02 A 18 HIS HB3 H 1 3.05 0.02 A 18 HIS HD2 H 1 7.17 0.02 A 18 HIS HE2 H 1 8 0.02 A 19 ALA H H 1 8.01 0.02 A 19 ALA HA H 1 4.1 0.02 A 19 ALA HB% H 1 1.22 0.02 A 20 HIS H H 1 8.15 0.02 A 20 HIS HA H 1 4.5 0.02 A 20 HIS HB2 H 1 3.16 0.02 A 20 HIS HB3 H 1 3.05 0.02 A 20 HIS HD2 H 1 7.15 0.02 A 20 HIS HE2 H 1 8.2 0.02 stop_ save_ save_Discover_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_3 _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 ASP O A 6 ASN H 1.0 1.8 2.5 2 2 A 10 ILE O A 14 HIS H 1.0 1.8 2.5 3 3 A 12 ASN O A 16 ASN H 1.0 1.8 2.5 4 4 A 14 HIS O A 18 HIS H 1.0 1.8 2.5 5 5 A 2 ASP H A 2 ASP HA 1.0 1.8 2.8 6 6 A 3 THR H A 3 THR HA 1.0 1.8 2.8 7 7 A 4 ARG H A 4 ARG HA 1.0 1.8 2.8 8 8 A 5 TYR H A 5 TYR HA 1.0 1.8 2.8 9 9 A 6 ASN H A 6 ASN HA 1.0 1.8 2.8 10 10 A 7 LYS H A 7 LYS HA 1.0 1.8 2.8 11 11 A 8 ASP H A 8 ASP HA 1.0 2.8 3.5 12 12 A 9 PHE H A 9 PHE HA 1.0 1.8 2.8 13 13 A 10 ILE H A 10 ILE HA 1.0 1.8 2.8 14 14 A 11 ASN H A 11 ASN HA 1.0 1.8 2.8 15 15 A 12 ASN H A 12 ASN HA 1.0 1.8 2.8 16 16 A 13 LYS H A 13 LYS HA 1.0 1.8 2.8 17 17 A 14 HIS H A 14 HIS HA 1.0 1.8 2.8 18 18 A 15 LEU H A 15 LEU HA 1.0 1.8 2.8 19 19 A 16 ASN H A 16 ASN HA 1.0 1.8 2.8 20 20 A 17 GLU H A 17 GLU HA 1.0 1.8 2.8 21 21 A 18 HIS H A 18 HIS HA 1.0 1.8 2.8 22 22 A 19 ALA H A 19 ALA HA 1.0 1.8 2.8 23 23 A 20 HIS H A 20 HIS HA 1.0 1.8 2.8 24 24 A 1 SER HA A 1 SER HB2 1.0 1.8 2.8 25 25 A 1 SER HA A 1 SER HB3 1.0 1.8 2.8 26 26 A 1 SER HB2 A 1 SER HB3 1.0 1.8 2.8 27 27 A 2 ASP H A 2 ASP HBx 1.0 2.8 3.5 28 28 A 2 ASP H A 2 ASP HBy 1.0 2.8 3.5 29 29 A 2 ASP HA A 2 ASP HBx 1.0 2.8 3.5 30 30 A 2 ASP HA A 2 ASP HBy 1.0 2.8 3.5 31 31 A 3 THR H A 3 THR HB 1.0 1.8 2.8 32 32 A 3 THR H A 3 THR HG2% 1.0 2.8 3.8 33 33 A 3 THR HA A 3 THR HB 1.0 1.8 2.8 34 34 A 3 THR HA A 3 THR HG2% 1.0 1.8 3.8 35 35 A 4 ARG H A 4 ARG HBx 1.0 2.8 4.5 36 35 A 4 ARG H A 4 ARG HBy 1.0 2.8 4.5 37 36 A 4 ARG H A 4 ARG HGx 1.0 1.8 3.8 38 36 A 4 ARG H A 4 ARG HGy 1.0 1.8 3.8 39 37 A 4 ARG H A 4 ARG HDx 1.0 1.8 3.8 40 37 A 4 ARG H A 4 ARG HDy 1.0 1.8 3.8 41 38 A 4 ARG HA A 4 ARG HDx 1.0 2.8 4.5 42 38 A 4 ARG HA A 4 ARG HDy 1.0 2.8 4.5 43 39 A 4 ARG HA A 4 ARG HBx 1.0 2.8 4.5 44 39 A 4 ARG HA A 4 ARG HBy 1.0 2.8 4.5 45 40 A 4 ARG HA A 4 ARG HGx 1.0 2.8 4.5 46 40 A 4 ARG HA A 4 ARG HGy 1.0 2.8 4.5 47 41 A 4 ARG HBx A 4 ARG HDx 1.0 2.8 5.5 48 41 A 4 ARG HBy A 4 ARG HDx 1.0 2.8 5.5 49 41 A 4 ARG HDy A 4 ARG HBx 1.0 2.8 5.5 50 41 A 4 ARG HBy A 4 ARG HDy 1.0 2.8 5.5 51 42 A 4 ARG HDy A 4 ARG HGx 1.0 2.8 5.5 52 42 A 4 ARG HDx A 4 ARG HGx 1.0 2.8 5.5 53 42 A 4 ARG HGy A 4 ARG HDx 1.0 2.8 5.5 54 42 A 4 ARG HGy A 4 ARG HDy 1.0 2.8 5.5 55 43 A 4 ARG HBy A 4 ARG HGx 1.0 1.8 4.8 56 43 A 4 ARG HBx A 4 ARG HGx 1.0 1.8 4.8 57 43 A 4 ARG HGy A 4 ARG HBx 1.0 1.8 4.8 58 43 A 4 ARG HBy A 4 ARG HGy 1.0 1.8 4.8 59 44 A 4 ARG HGy A 4 ARG HH1% 1.0 1.8 6.2 60 44 A 4 ARG HGx A 4 ARG HH1% 1.0 1.8 6.2 61 44 A 4 ARG HH2% A 4 ARG HGx 1.0 1.8 6.2 62 44 A 4 ARG HGy A 4 ARG HH2% 1.0 1.8 6.2 63 45 A 4 ARG HDy A 4 ARG HH1% 1.0 1.8 6.2 64 45 A 4 ARG HDx A 4 ARG HH1% 1.0 1.8 6.2 65 45 A 4 ARG HH2% A 4 ARG HDx 1.0 1.8 6.2 66 45 A 4 ARG HDy A 4 ARG HH2% 1.0 1.8 6.2 67 46 A 5 TYR H A 5 TYR HB2 1.0 2.8 3.5 68 47 A 5 TYR H A 5 TYR HB3 1.0 2.8 3.5 69 48 A 5 TYR HA A 5 TYR HB2 1.0 1.8 2.8 70 49 A 5 TYR HA A 5 TYR HB3 1.0 1.8 2.8 71 50 A 5 TYR HB3 A 5 TYR HD% 1.0 1.8 4.8 72 51 A 5 TYR HB2 A 5 TYR HD% 1.0 1.8 4.8 73 52 A 5 TYR HA A 5 TYR HD% 1.0 1.8 4.8 74 53 A 5 TYR HD% A 5 TYR HE% 1.0 1.8 6.8 75 54 A 6 ASN HA A 6 ASN HD22 1.0 1.8 2.8 76 55 A 7 LYS H A 7 LYS HBx 1.0 1.8 3.8 77 55 A 7 LYS H A 7 LYS HBy 1.0 1.8 3.8 78 56 A 7 LYS H A 7 LYS HGx 1.0 1.8 3.8 79 56 A 7 LYS H A 7 LYS HGy 1.0 1.8 3.8 80 57 A 7 LYS H A 7 LYS HDx 1.0 1.8 3.8 81 57 A 7 LYS H A 7 LYS HDy 1.0 1.8 3.8 82 58 A 7 LYS HA A 7 LYS HBx 1.0 1.8 3.8 83 58 A 7 LYS HA A 7 LYS HBy 1.0 1.8 3.8 84 59 A 7 LYS HA A 7 LYS HGx 1.0 1.8 3.8 85 59 A 7 LYS HA A 7 LYS HGy 1.0 1.8 3.8 86 60 A 7 LYS HA A 7 LYS HDx 1.0 2.8 3.8 87 60 A 7 LYS HA A 7 LYS HDy 1.0 2.8 3.8 88 61 A 7 LYS HA A 7 LYS HEx 1.0 1.8 3.8 89 61 A 7 LYS HA A 7 LYS HEy 1.0 1.8 3.8 90 62 A 8 ASP HA A 8 ASP HBx 1.0 1.8 2.8 91 63 A 8 ASP HA A 8 ASP HBy 1.0 1.8 2.8 92 64 A 8 ASP HBx A 8 ASP HBy 1.0 1.8 2.8 93 65 A 8 ASP H A 8 ASP HBy 1.0 1.8 2.8 94 66 A 8 ASP H A 8 ASP HBx 1.0 1.8 2.8 95 67 A 9 PHE H A 9 PHE HB2 1.0 1.8 2.8 96 68 A 9 PHE H A 9 PHE HB3 1.0 2.8 3.5 97 69 A 9 PHE HA A 9 PHE HB2 1.0 1.8 2.8 98 70 A 9 PHE HA A 9 PHE HB3 1.0 1.8 2.8 99 71 A 9 PHE HB3 A 9 PHE HD% 1.0 1.8 4.8 100 72 A 9 PHE HB2 A 9 PHE HD% 1.0 1.8 4.8 101 73 A 9 PHE HA A 9 PHE HD% 1.0 2.8 5.5 102 74 A 9 PHE HD% A 9 PHE HE% 1.0 2.8 7.5 103 75 A 10 ILE H A 10 ILE HB 1.0 1.8 2.8 104 76 A 10 ILE H A 10 ILE HG1x 1.0 2.8 3.5 105 77 A 10 ILE H A 10 ILE HG1y 1.0 1.8 2.8 106 78 A 10 ILE H A 10 ILE HD1% 1.0 1.8 3.8 107 79 A 10 ILE HA A 10 ILE HB 1.0 1.8 2.8 108 80 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 2.8 109 81 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 2.8 110 82 A 10 ILE HA A 10 ILE HD1% 1.0 3.5 6.5 111 83 A 10 ILE HB A 10 ILE HG1x 1.0 1.8 2.8 112 84 A 10 ILE HB A 10 ILE HG1y 1.0 1.8 2.8 113 85 A 10 ILE HB A 10 ILE HD1% 1.0 1.8 3.8 114 86 A 10 ILE HG1x A 10 ILE HG1y 1.0 1.8 2.8 115 87 A 10 ILE HG1x A 10 ILE HD1% 1.0 1.8 3.8 116 88 A 10 ILE HG1y A 10 ILE HD1% 1.0 1.8 3.8 117 89 A 11 ASN H A 11 ASN HBx 1.0 1.8 2.8 118 90 A 11 ASN H A 11 ASN HBy 1.0 2.8 3.5 119 91 A 11 ASN HA A 11 ASN HBx 1.0 1.8 2.8 120 92 A 11 ASN HA A 11 ASN HBy 1.0 1.8 2.8 121 93 A 11 ASN HA A 11 ASN HD22 1.0 1.8 2.8 122 94 A 11 ASN HBx A 11 ASN HD22 1.0 1.8 2.8 123 95 A 11 ASN HBy A 11 ASN HD22 1.0 2.8 3.5 124 96 A 12 ASN H A 12 ASN HBx 1.0 2.8 3.5 125 97 A 12 ASN H A 12 ASN HBy 1.0 2.8 3.5 126 98 A 12 ASN HA A 12 ASN HBx 1.0 1.8 2.8 127 99 A 12 ASN HA A 12 ASN HBy 1.0 1.8 2.8 128 100 A 12 ASN HA A 12 ASN HD22 1.0 1.8 2.8 129 101 A 12 ASN HBx A 12 ASN HD22 1.0 1.8 2.8 130 102 A 12 ASN HBy A 12 ASN HD22 1.0 1.8 2.8 131 103 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.8 132 103 A 13 LYS H A 13 LYS HBy 1.0 1.8 3.8 133 104 A 13 LYS H A 13 LYS HGx 1.0 2.8 3.8 134 104 A 13 LYS H A 13 LYS HGy 1.0 2.8 3.8 135 105 A 13 LYS H A 13 LYS HDx 1.0 2.8 3.8 136 105 A 13 LYS H A 13 LYS HDy 1.0 2.8 3.8 137 106 A 13 LYS HA A 13 LYS HBx 1.0 1.8 3.8 138 106 A 13 LYS HA A 13 LYS HBy 1.0 1.8 3.8 139 107 A 13 LYS HA A 13 LYS HGx 1.0 1.8 3.8 140 107 A 13 LYS HA A 13 LYS HGy 1.0 1.8 3.8 141 108 A 13 LYS HA A 13 LYS HDx 1.0 1.8 3.8 142 108 A 13 LYS HA A 13 LYS HDy 1.0 1.8 3.8 143 109 A 13 LYS HA A 13 LYS HEx 1.0 1.8 3.8 144 109 A 13 LYS HA A 13 LYS HEy 1.0 1.8 3.8 145 110 A 15 LEU H A 15 LEU HBx 1.0 1.8 3.8 146 110 A 15 LEU H A 15 LEU HBy 1.0 1.8 3.8 147 111 A 15 LEU H A 15 LEU HG 1.0 2.8 3.5 148 112 A 15 LEU H A 15 LEU HDx% 1.0 2.8 4.5 149 113 A 15 LEU H A 15 LEU HDy% 1.0 3.5 5.5 150 114 A 15 LEU HA A 15 LEU HBx 1.0 1.8 3.8 151 114 A 15 LEU HA A 15 LEU HBy 1.0 1.8 3.8 152 115 A 15 LEU HA A 15 LEU HG 1.0 2.8 3.5 153 116 A 15 LEU HA A 15 LEU HDx% 1.0 3.5 4.5 154 117 A 15 LEU HA A 15 LEU HDy% 1.0 3.5 5.5 155 118 A 15 LEU HG A 15 LEU HBx 1.0 2.8 4.5 156 118 A 15 LEU HBy A 15 LEU HG 1.0 2.8 4.5 157 119 A 15 LEU HDx% A 15 LEU HBx 1.0 2.8 5.5 158 119 A 15 LEU HBy A 15 LEU HDx% 1.0 2.8 5.5 159 120 A 15 LEU HDy% A 15 LEU HBx 1.0 2.8 5.5 160 120 A 15 LEU HBy A 15 LEU HDy% 1.0 2.8 5.5 161 121 A 15 LEU HG A 15 LEU HDx% 1.0 2.8 4.5 162 122 A 15 LEU HG A 15 LEU HDy% 1.0 2.8 4.5 163 123 A 15 LEU HDx% A 15 LEU HDy% 1.0 2.8 5.5 164 124 A 16 ASN H A 16 ASN HBx 1.0 1.8 2.8 165 125 A 16 ASN H A 16 ASN HBy 1.0 2.8 3.5 166 126 A 16 ASN HA A 16 ASN HBx 1.0 1.8 2.8 167 127 A 16 ASN HA A 16 ASN HBy 1.0 1.8 2.8 168 128 A 16 ASN HA A 16 ASN HD22 1.0 1.8 2.8 169 129 A 16 ASN HBx A 16 ASN HD22 1.0 1.8 2.8 170 130 A 16 ASN HBy A 16 ASN HD22 1.0 1.8 2.8 171 131 A 17 GLU H A 17 GLU HBx 1.0 2.8 3.5 172 132 A 17 GLU H A 17 GLU HBy 1.0 2.8 3.5 173 133 A 17 GLU H A 17 GLU HGx 1.0 1.8 2.8 174 134 A 17 GLU H A 17 GLU HGy 1.0 1.8 2.8 175 135 A 17 GLU HA A 17 GLU HBx 1.0 1.8 2.8 176 136 A 17 GLU HA A 17 GLU HBy 1.0 1.8 2.8 177 137 A 17 GLU HA A 17 GLU HGx 1.0 1.8 2.8 178 138 A 17 GLU HA A 17 GLU HGy 1.0 1.8 2.8 179 139 A 18 HIS H A 18 HIS HB2 1.0 1.8 2.8 180 140 A 18 HIS H A 18 HIS HB3 1.0 2.8 3.5 181 141 A 18 HIS HB2 A 18 HIS HD2 1.0 1.8 2.8 182 142 A 18 HIS HB3 A 18 HIS HD2 1.0 1.8 2.8 183 143 A 19 ALA H A 19 ALA HB% 1.0 1.8 3.8 184 144 A 20 HIS H A 20 HIS HB2 1.0 1.8 2.8 185 145 A 20 HIS H A 20 HIS HB3 1.0 1.8 2.8 186 146 A 20 HIS HB2 A 20 HIS HD2 1.0 1.8 2.8 187 147 A 20 HIS HB3 A 20 HIS HD2 1.0 1.8 2.8 188 148 A 2 ASP H A 3 THR H 1.0 1.8 2.8 189 149 A 3 THR H A 4 ARG H 1.0 2.8 3.5 190 150 A 4 ARG H A 5 TYR H 1.0 1.8 2.8 191 151 A 6 ASN H A 5 TYR H 1.0 1.8 2.8 192 152 A 6 ASN H A 7 LYS H 1.0 1.8 2.8 193 153 A 7 LYS H A 8 ASP H 1.0 2.8 3.5 194 154 A 8 ASP H A 9 PHE H 1.0 1.8 2.8 195 155 A 9 PHE H A 10 ILE H 1.0 2.8 3.5 196 156 A 10 ILE H A 11 ASN H 1.0 2.8 3.5 197 157 A 11 ASN H A 12 ASN H 1.0 2.8 3.5 198 158 A 12 ASN H A 13 LYS H 1.0 1.8 2.8 199 159 A 14 HIS H A 13 LYS H 1.0 1.8 2.8 200 160 A 14 HIS H A 15 LEU H 1.0 2.8 3.5 201 161 A 16 ASN H A 15 LEU H 1.0 2.8 3.5 202 162 A 16 ASN H A 17 GLU H 1.0 2.8 3.5 203 163 A 18 HIS H A 17 GLU H 1.0 2.8 3.5 204 164 A 18 HIS H A 19 ALA H 1.0 2.8 3.5 205 165 A 19 ALA H A 20 HIS H 1.0 2.8 3.5 206 166 A 1 SER HA A 2 ASP H 1.0 1.8 2.8 207 167 A 2 ASP HA A 3 THR H 1.0 1.8 2.8 208 168 A 3 THR HA A 4 ARG H 1.0 2.8 3.5 209 169 A 4 ARG HA A 5 TYR H 1.0 2.8 3.5 210 170 A 6 ASN H A 5 TYR HA 1.0 2.8 3.5 211 171 A 6 ASN HA A 7 LYS H 1.0 2.8 3.5 212 172 A 7 LYS HA A 8 ASP H 1.0 2.8 3.5 213 173 A 8 ASP HA A 9 PHE H 1.0 2.8 3.5 214 174 A 9 PHE HA A 10 ILE H 1.0 3.5 5.5 215 175 A 10 ILE HA A 11 ASN H 1.0 1.8 2.8 216 176 A 11 ASN HA A 12 ASN H 1.0 3.5 5.5 217 177 A 12 ASN HA A 13 LYS H 1.0 1.8 2.8 218 178 A 14 HIS H A 13 LYS HA 1.0 1.8 2.8 219 179 A 14 HIS HA A 15 LEU H 1.0 1.8 2.8 220 180 A 16 ASN H A 15 LEU HA 1.0 1.8 2.8 221 181 A 16 ASN HA A 17 GLU H 1.0 1.8 2.8 222 182 A 18 HIS H A 17 GLU HA 1.0 1.8 2.8 223 183 A 18 HIS HA A 19 ALA H 1.0 1.8 2.8 224 184 A 19 ALA HA A 20 HIS H 1.0 1.8 2.8 225 185 A 3 THR HA A 5 TYR H 1.0 3.5 5.5 226 186 A 6 ASN H A 4 ARG HA 1.0 3.5 5.5 227 187 A 5 TYR HA A 7 LYS H 1.0 3.5 5.5 228 188 A 7 LYS HA A 9 PHE H 1.0 3.5 5.5 229 189 A 8 ASP HA A 10 ILE H 1.0 3.5 5.5 230 190 A 10 ILE HA A 12 ASN H 1.0 3.5 5.5 231 191 A 11 ASN HA A 13 LYS H 1.0 3.5 5.5 232 192 A 14 HIS H A 12 ASN HA 1.0 3.5 5.5 233 193 A 7 LYS HA A 10 ILE H 1.0 2.8 3.5 234 194 A 10 ILE HA A 13 LYS H 1.0 3.5 5.5 235 195 A 16 ASN H A 13 LYS HA 1.0 3.5 4.5 236 196 A 14 HIS HA A 17 GLU H 1.0 3.5 5.5 237 197 A 18 HIS H A 15 LEU HA 1.0 3.5 5.5 238 198 A 12 ASN HA A 15 LEU H 1.0 3.5 5.5 239 199 A 3 THR HA A 7 LYS H 1.0 3.5 5.5 240 200 A 4 ARG HA A 8 ASP H 1.0 3.5 5.5 241 201 A 7 LYS HA A 11 ASN H 1.0 3.5 5.5 242 202 A 14 HIS H A 10 ILE HA 1.0 3.5 5.5 243 203 A 8 ASP HA A 12 ASN H 1.0 3.5 5.5 244 204 A 9 PHE HA A 13 LYS H 1.0 3.5 5.5 245 205 A 16 ASN H A 12 ASN HA 1.0 3.5 5.0 246 206 A 15 LEU HA A 19 ALA H 1.0 3.5 5.0 247 207 A 11 ASN HA A 15 LEU H 1.0 3.5 5.0 248 208 A 10 ILE HA A 7 LYS HBx 1.0 3.5 6.5 249 208 A 10 ILE HA A 7 LYS HBy 1.0 3.5 6.5 250 209 A 17 GLU HA A 14 HIS HB2 1.0 2.8 4.5 251 209 A 17 GLU HA A 14 HIS HB3 1.0 2.8 4.5 252 210 A 9 PHE HA A 6 ASN HBx 1.0 3.5 6.5 253 210 A 9 PHE HA A 6 ASN HBy 1.0 3.5 6.5 254 211 A 18 HIS HA A 15 LEU HBx 1.0 2.8 4.5 255 211 A 18 HIS HA A 15 LEU HBy 1.0 2.8 4.5 256 212 A 6 ASN HA A 3 THR HG2% 1.0 3.5 6.5 stop_ save_ save_Discover_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode Discover_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _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 SER CA A 1 SER C A 2 ASP N A 2 ASP CA 1.0 178.0 180.0 OMEGA 2 2 A 2 ASP CA A 2 ASP C A 3 THR N A 3 THR CA 1.0 178.0 180.0 OMEGA 3 3 A 3 THR CA A 3 THR C A 4 ARG N A 4 ARG CA 1.0 178.0 180.0 OMEGA 4 4 A 4 ARG CA A 4 ARG C A 5 TYR N A 5 TYR CA 1.0 178.0 180.0 OMEGA 5 5 A 5 TYR CA A 5 TYR C A 6 ASN N A 6 ASN CA 1.0 178.0 180.0 OMEGA 6 6 A 6 ASN CA A 6 ASN C A 7 LYS N A 7 LYS CA 1.0 178.0 180.0 OMEGA 7 7 A 7 LYS CA A 7 LYS C A 8 ASP N A 8 ASP CA 1.0 178.0 180.0 OMEGA 8 8 A 8 ASP CA A 8 ASP C A 9 PHE N A 9 PHE CA 1.0 178.0 180.0 OMEGA 9 9 A 9 PHE CA A 9 PHE C A 10 ILE N A 10 ILE CA 1.0 178.0 180.0 OMEGA 10 10 A 10 ILE CA A 10 ILE C A 11 ASN N A 11 ASN CA 1.0 178.0 180.0 OMEGA 11 11 A 11 ASN CA A 11 ASN C A 12 ASN N A 12 ASN CA 1.0 178.0 180.0 OMEGA 12 12 A 12 ASN CA A 12 ASN C A 13 LYS N A 13 LYS CA 1.0 178.0 180.0 OMEGA 13 13 A 13 LYS CA A 13 LYS C A 14 HIS N A 14 HIS CA 1.0 178.0 180.0 OMEGA 14 14 A 14 HIS CA A 14 HIS C A 15 LEU N A 15 LEU CA 1.0 178.0 180.0 OMEGA 15 15 A 15 LEU CA A 15 LEU C A 16 ASN N A 16 ASN CA 1.0 178.0 180.0 OMEGA 16 16 A 16 ASN CA A 16 ASN C A 17 GLU N A 17 GLU CA 1.0 178.0 180.0 OMEGA 17 17 A 17 GLU CA A 17 GLU C A 18 HIS N A 18 HIS CA 1.0 178.0 180.0 OMEGA 18 18 A 18 HIS CA A 18 HIS C A 19 ALA N A 19 ALA CA 1.0 178.0 180.0 OMEGA 19 19 A 19 ALA CA A 19 ALA C A 20 HIS N A 20 HIS CA 1.0 178.0 180.0 OMEGA stop_ save_