data_nef_c30265_5v2b 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 5V2B 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 SER 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 8.160 0.02 A 1 SER HA H 1 4.250 0.02 A 1 SER HB2 H 1 3.730 0.02 A 1 SER HB3 H 1 3.780 0.02 A 2 ASP H H 1 8.460 0.02 A 2 ASP HA H 1 4.631 0.02 A 2 ASP HB2 H 1 2.763 0.02 A 2 ASP HB3 H 1 2.831 0.02 A 3 THR H H 1 7.880 0.02 A 3 THR HA H 1 4.120 0.02 A 3 THR HB H 1 4.050 0.02 A 3 THR HG2% H 1 1.120 0.02 A 4 ARG H H 1 7.936 0.02 A 4 ARG HA H 1 4.080 0.02 A 4 ARG HBx H 1 1.734 0.02 A 4 ARG HBy H 1 1.734 0.02 A 4 ARG HDx H 1 2.802 0.02 A 4 ARG HDy H 1 2.802 0.02 A 4 ARG HGx H 1 1.680 0.02 A 4 ARG HGy H 1 1.680 0.02 A 5 TYR H H 1 7.710 0.02 A 5 TYR HA H 1 4.350 0.02 A 5 TYR HB2 H 1 2.780 0.02 A 5 TYR HB3 H 1 2.980 0.02 A 5 TYR HDx H 1 7.078 0.02 A 5 TYR HDy H 1 7.078 0.02 A 5 TYR HEx H 1 6.962 0.02 A 5 TYR HEy H 1 6.962 0.02 A 6 ASN H H 1 7.870 0.02 A 6 ASN HA H 1 4.500 0.02 A 6 ASN HB2 H 1 2.990 0.02 A 6 ASN HB3 H 1 2.700 0.02 A 6 ASN HD21 H 1 7.186 0.02 A 6 ASN HD22 H 1 7.078 0.02 A 7 LYS H H 1 8.180 0.02 A 7 LYS HA H 1 4.080 0.02 A 7 LYS HBx H 1 1.780 0.02 A 7 LYS HBy H 1 1.780 0.02 A 7 LYS HEx H 1 2.960 0.02 A 7 LYS HEy H 1 2.960 0.02 A 7 LYS HGx H 1 1.320 0.02 A 7 LYS HGy H 1 1.320 0.02 A 8 SER H H 1 8.040 0.02 A 8 SER HA H 1 4.170 0.02 A 8 SER HB2 H 1 3.650 0.02 A 8 SER HB3 H 1 3.750 0.02 A 9 PHE H H 1 7.860 0.02 A 9 PHE HA H 1 4.320 0.02 A 9 PHE HB2 H 1 2.780 0.02 A 9 PHE HB3 H 1 3.050 0.02 A 9 PHE HDx H 1 7.088 0.02 A 9 PHE HDy H 1 7.088 0.02 A 9 PHE HEx H 1 7.088 0.02 A 9 PHE HEy H 1 7.088 0.02 A 10 ILE H H 1 7.670 0.02 A 10 ILE HA H 1 3.720 0.02 A 10 ILE HB H 1 1.780 0.02 A 10 ILE HD1% H 1 0.750 0.02 A 10 ILE HG12 H 1 1.420 0.02 A 10 ILE HG13 H 1 1.300 0.02 A 11 ASN H H 1 8.060 0.02 A 11 ASN HA H 1 4.480 0.02 A 11 ASN HB2 H 1 2.730 0.02 A 11 ASN HB3 H 1 2.610 0.02 A 11 ASN HD21 H 1 7.210 0.02 A 11 ASN HD22 H 1 7.073 0.02 A 12 ASN H H 1 8.013 0.02 A 12 ASN HA H 1 4.412 0.02 A 12 ASN HB2 H 1 2.600 0.02 A 12 ASN HB3 H 1 2.700 0.02 A 12 ASN HD21 H 1 7.210 0.02 A 12 ASN HD22 H 1 7.073 0.02 A 13 LYS H H 1 8.050 0.02 A 13 LYS HA H 1 3.920 0.02 A 13 LYS HB2 H 1 1.620 0.02 A 13 LYS HB3 H 1 1.700 0.02 A 13 LYS HEx H 1 2.964 0.02 A 13 LYS HEy H 1 2.964 0.02 A 13 LYS HGx H 1 1.530 0.02 A 13 LYS HGy H 1 1.530 0.02 A 14 HIS H H 1 8.140 0.02 A 14 HIS HA H 1 4.430 0.02 A 14 HIS HB2 H 1 3.180 0.02 A 14 HIS HB3 H 1 3.000 0.02 A 14 HIS HD2 H 1 7.078 0.02 A 15 LEU H H 1 7.974 0.02 A 15 LEU HA H 1 4.077 0.02 A 15 LEU HBx H 1 1.597 0.02 A 15 LEU HBy H 1 1.597 0.02 A 15 LEU HDx% H 1 0.769 0.02 A 15 LEU HDy% H 1 0.769 0.02 A 15 LEU HG H 1 1.489 0.02 A 16 ASN H H 1 8.149 0.02 A 16 ASN HA H 1 4.475 0.02 A 16 ASN HB2 H 1 2.690 0.02 A 16 ASN HB3 H 1 2.624 0.02 A 16 ASN HD21 H 1 7.210 0.02 A 16 ASN HD22 H 1 7.070 0.02 A 17 GLU H H 1 8.013 0.02 A 17 GLU HA H 1 4.065 0.02 A 17 GLU HB2 H 1 1.853 0.02 A 17 GLU HB3 H 1 1.924 0.02 A 17 GLU HGx H 1 2.270 0.02 A 17 GLU HGy H 1 2.270 0.02 A 18 HIS H H 1 8.188 0.02 A 18 HIS HA H 1 4.459 0.02 A 18 HIS HB2 H 1 3.018 0.02 A 18 HIS HB3 H 1 3.188 0.02 A 19 ALA H H 1 8.042 0.02 A 19 ALA HA H 1 4.135 0.02 A 19 ALA HB% H 1 1.580 0.02 A 20 HIS H H 1 8.108 0.02 A 20 HIS HA H 1 4.482 0.02 A 20 HIS HB2 H 1 3.024 0.02 A 20 HIS HB3 H 1 3.165 0.02 A 20 HIS HD2 H 1 7.070 0.02 stop_ save_ save_Discover_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_5 _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 H A 2 ASP HA 1.0 1.8 2.8 2 2 A 3 THR H A 3 THR HA 1.0 1.8 2.8 3 3 A 4 ARG H A 4 ARG HA 1.0 1.8 2.8 4 4 A 5 TYR H A 5 TYR HA 1.0 1.8 2.8 5 5 A 6 ASN H A 6 ASN HA 1.0 1.8 2.8 6 6 A 7 LYS H A 7 LYS HA 1.0 1.8 2.8 7 7 A 8 SER H A 8 SER HA 1.0 1.8 2.8 8 8 A 9 PHE H A 9 PHE HA 1.0 1.8 2.8 9 9 A 10 ILE H A 10 ILE HA 1.0 1.8 2.8 10 10 A 11 ASN H A 11 ASN HA 1.0 1.8 2.8 11 11 A 12 ASN H A 12 ASN HA 1.0 1.8 2.8 12 12 A 13 LYS H A 13 LYS HA 1.0 1.8 2.8 13 13 A 14 HIS H A 14 HIS HA 1.0 1.8 2.8 14 14 A 15 LEU H A 15 LEU HA 1.0 1.8 2.8 15 15 A 16 ASN H A 16 ASN HA 1.0 1.8 2.8 16 16 A 17 GLU H A 17 GLU HA 1.0 1.8 2.8 17 17 A 18 HIS H A 18 HIS HA 1.0 1.8 2.8 18 18 A 19 ALA H A 19 ALA HA 1.0 1.8 2.8 19 19 A 20 HIS H A 20 HIS HA 1.0 1.8 2.8 20 20 A 1 SER HA A 1 SER HB2 1.0 1.8 2.8 21 21 A 1 SER HA A 1 SER HB3 1.0 2.8 3.5 22 22 A 1 SER HB2 A 1 SER HB3 1.0 1.8 2.8 23 23 A 2 ASP H A 2 ASP HB3 1.0 2.8 3.5 24 24 A 2 ASP H A 2 ASP HB2 1.0 2.8 3.5 25 25 A 2 ASP HA A 2 ASP HB3 1.0 2.8 3.5 26 26 A 2 ASP HA A 2 ASP HB2 1.0 2.8 3.5 27 27 A 3 THR H A 3 THR HB 1.0 1.8 2.8 28 28 A 3 THR H A 3 THR HG2% 1.0 2.8 3.5 29 29 A 3 THR HA A 3 THR HB 1.0 1.8 2.8 30 30 A 3 THR HA A 3 THR HG2% 1.0 1.8 3.8 31 31 A 4 ARG H A 4 ARG HBx 1.0 2.8 4.5 32 31 A 4 ARG H A 4 ARG HBy 1.0 2.8 4.5 33 32 A 4 ARG H A 4 ARG HGx 1.0 1.8 3.8 34 32 A 4 ARG H A 4 ARG HGy 1.0 1.8 3.8 35 33 A 4 ARG H A 4 ARG HDx 1.0 1.8 3.8 36 33 A 4 ARG H A 4 ARG HDy 1.0 1.8 3.8 37 34 A 4 ARG HA A 4 ARG HDx 1.0 2.8 4.5 38 34 A 4 ARG HA A 4 ARG HDy 1.0 2.8 4.5 39 35 A 4 ARG HA A 4 ARG HBx 1.0 2.8 4.5 40 35 A 4 ARG HA A 4 ARG HBy 1.0 2.8 4.5 41 36 A 4 ARG HA A 4 ARG HGx 1.0 2.8 4.5 42 36 A 4 ARG HA A 4 ARG HGy 1.0 2.8 4.5 43 37 A 4 ARG HBy A 4 ARG HDx 1.0 2.8 5.5 44 37 A 4 ARG HBx A 4 ARG HDx 1.0 2.8 5.5 45 37 A 4 ARG HDy A 4 ARG HBx 1.0 2.8 5.5 46 37 A 4 ARG HBy A 4 ARG HDy 1.0 2.8 5.5 47 38 A 4 ARG HDx A 4 ARG HGx 1.0 1.8 6.2 48 38 A 4 ARG HDy A 4 ARG HGx 1.0 1.8 6.2 49 38 A 4 ARG HGy A 4 ARG HDx 1.0 1.8 6.2 50 38 A 4 ARG HGy A 4 ARG HDy 1.0 1.8 6.2 51 39 A 4 ARG HBx A 4 ARG HGx 1.0 1.8 6.2 52 39 A 4 ARG HBy A 4 ARG HGx 1.0 1.8 6.2 53 39 A 4 ARG HGy A 4 ARG HBx 1.0 1.8 6.2 54 39 A 4 ARG HBy A 4 ARG HGy 1.0 1.8 6.2 55 40 A 4 ARG HGx A 4 ARG HH1% 1.0 1.8 6.2 56 40 A 4 ARG HGy A 4 ARG HH1% 1.0 1.8 6.2 57 40 A 4 ARG HH2% A 4 ARG HGx 1.0 1.8 6.2 58 40 A 4 ARG HGy A 4 ARG HH2% 1.0 1.8 6.2 59 41 A 4 ARG HDx A 4 ARG HH1% 1.0 1.8 6.2 60 41 A 4 ARG HH2% A 4 ARG HDx 1.0 1.8 6.2 61 41 A 4 ARG HDy A 4 ARG HH2% 1.0 1.8 6.2 62 41 A 4 ARG HDy A 4 ARG HH1% 1.0 1.8 6.2 63 42 A 5 TYR H A 5 TYR HB2 1.0 1.8 2.8 64 43 A 5 TYR H A 5 TYR HB3 1.0 1.8 2.8 65 44 A 5 TYR HA A 5 TYR HB2 1.0 1.8 2.8 66 45 A 5 TYR HA A 5 TYR HB3 1.0 2.8 5.5 67 46 A 5 TYR HB3 A 5 TYR HD% 1.0 1.8 4.8 68 47 A 5 TYR HB2 A 5 TYR HD% 1.0 1.8 4.8 69 48 A 5 TYR HA A 5 TYR HD% 1.0 1.8 4.8 70 49 A 5 TYR HD% A 5 TYR HE% 1.0 1.8 6.8 71 50 A 6 ASN HA A 6 ASN HD22 1.0 1.8 2.8 72 51 A 6 ASN H A 6 ASN HB2 1.0 1.8 2.8 73 52 A 6 ASN H A 6 ASN HB3 1.0 1.8 2.8 74 53 A 6 ASN HA A 6 ASN HB2 1.0 1.8 2.8 75 54 A 6 ASN HA A 6 ASN HB3 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 1.8 3.8 87 60 A 7 LYS HA A 7 LYS HDy 1.0 1.8 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 SER HA A 8 SER HB2 1.0 1.8 2.8 91 63 A 8 SER HA A 8 SER HB3 1.0 1.8 2.8 92 64 A 8 SER HB2 A 8 SER HB3 1.0 1.8 2.8 93 65 A 8 SER H A 8 SER HB3 1.0 1.8 2.8 94 66 A 8 SER H A 8 SER HB2 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 5.5 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 1.8 2.8 103 75 A 10 ILE H A 10 ILE HB 1.0 2.8 7.5 104 76 A 10 ILE H A 10 ILE HG12 1.0 2.8 7.5 105 77 A 10 ILE H A 10 ILE HG13 1.0 1.8 2.8 106 78 A 10 ILE H A 10 ILE HD1% 1.0 2.8 7.5 107 79 A 10 ILE HA A 10 ILE HB 1.0 1.8 2.8 108 80 A 10 ILE HA A 10 ILE HG12 1.0 1.8 2.8 109 81 A 10 ILE HA A 10 ILE HG13 1.0 1.8 2.8 110 82 A 10 ILE HA A 10 ILE HD1% 1.0 2.8 7.5 111 83 A 10 ILE HB A 10 ILE HG12 1.0 2.8 7.5 112 84 A 10 ILE HB A 10 ILE HG13 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 HG12 A 10 ILE HG13 1.0 1.8 2.8 115 87 A 10 ILE HG12 A 10 ILE HD1% 1.0 1.8 3.8 116 88 A 10 ILE HG13 A 10 ILE HD1% 1.0 1.8 3.8 117 89 A 11 ASN H A 11 ASN HB2 1.0 1.8 2.8 118 90 A 11 ASN H A 11 ASN HB3 1.0 1.8 2.8 119 91 A 11 ASN HA A 11 ASN HB2 1.0 1.8 2.8 120 92 A 11 ASN HA A 11 ASN HB3 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 HB2 A 11 ASN HD22 1.0 1.8 2.8 123 95 A 11 ASN HB3 A 11 ASN HD22 1.0 2.8 7.5 124 96 A 12 ASN H A 12 ASN HB2 1.0 1.8 2.8 125 97 A 12 ASN H A 12 ASN HB3 1.0 2.8 7.5 126 98 A 12 ASN HA A 12 ASN HB2 1.0 1.8 2.8 127 99 A 12 ASN HA A 12 ASN HB3 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 HB2 A 12 ASN HD22 1.0 1.8 2.8 130 102 A 12 ASN HB3 A 12 ASN HD22 1.0 2.8 7.5 131 103 A 13 LYS H A 13 LYS HB2 1.0 1.8 3.8 132 103 A 13 LYS H A 13 LYS HB3 1.0 1.8 3.8 133 104 A 13 LYS H A 13 LYS HGx 1.0 1.8 3.8 134 104 A 13 LYS H A 13 LYS HGy 1.0 1.8 3.8 135 105 A 13 LYS H A 13 LYS HDx 1.0 2.8 7.5 136 105 A 13 LYS H A 13 LYS HDy 1.0 2.8 7.5 137 106 A 13 LYS HA A 13 LYS HB2 1.0 1.8 3.8 138 106 A 13 LYS HA A 13 LYS HB3 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 14 HIS H A 14 HIS HB2 1.0 1.8 2.8 146 111 A 14 HIS H A 14 HIS HB3 1.0 2.8 5.5 147 112 A 14 HIS HD2 A 14 HIS HB2 1.0 1.8 2.8 148 113 A 14 HIS HD2 A 14 HIS HB3 1.0 1.8 2.8 149 114 A 15 LEU H A 15 LEU HBx 1.0 1.8 3.8 150 114 A 15 LEU H A 15 LEU HBy 1.0 1.8 3.8 151 115 A 15 LEU H A 15 LEU HG 1.0 3.5 5.0 152 116 A 15 LEU H A 15 LEU HDx% 1.0 2.8 4.5 153 117 A 15 LEU H A 15 LEU HDy% 1.0 2.8 4.5 154 118 A 15 LEU HA A 15 LEU HBx 1.0 1.8 3.8 155 118 A 15 LEU HA A 15 LEU HBy 1.0 1.8 3.8 156 119 A 15 LEU HA A 15 LEU HG 1.0 3.5 5.0 157 120 A 15 LEU HA A 15 LEU HDx% 1.0 2.8 3.5 158 121 A 15 LEU HA A 15 LEU HDy% 1.0 2.8 3.5 159 122 A 15 LEU HG A 15 LEU HBx 1.0 1.8 3.8 160 122 A 15 LEU HBy A 15 LEU HG 1.0 1.8 3.8 161 123 A 15 LEU HDx% A 15 LEU HBx 1.0 2.8 5.5 162 123 A 15 LEU HBy A 15 LEU HDx% 1.0 2.8 5.5 163 124 A 15 LEU HDy% A 15 LEU HBx 1.0 2.8 5.5 164 124 A 15 LEU HBy A 15 LEU HDy% 1.0 2.8 5.5 165 125 A 15 LEU HG A 15 LEU HDx% 1.0 2.8 5.5 166 126 A 15 LEU HG A 15 LEU HDy% 1.0 1.8 3.8 167 127 A 15 LEU HDx% A 15 LEU HDy% 1.0 2.8 5.5 168 128 A 16 ASN H A 16 ASN HB2 1.0 1.8 2.8 169 129 A 16 ASN H A 16 ASN HB3 1.0 2.8 5.5 170 130 A 16 ASN HA A 16 ASN HB2 1.0 1.8 2.8 171 131 A 16 ASN HA A 16 ASN HB3 1.0 1.8 2.8 172 132 A 16 ASN HA A 16 ASN HD22 1.0 1.8 2.8 173 133 A 16 ASN HB2 A 16 ASN HD22 1.0 1.8 2.8 174 134 A 16 ASN HB3 A 16 ASN HD22 1.0 2.8 5.5 175 135 A 17 GLU H A 17 GLU HB2 1.0 2.8 5.5 176 136 A 17 GLU H A 17 GLU HB3 1.0 2.8 5.5 177 137 A 17 GLU H A 17 GLU HGx 1.0 2.8 5.5 178 138 A 17 GLU H A 17 GLU HGy 1.0 1.8 2.8 179 139 A 17 GLU HA A 17 GLU HB2 1.0 1.8 2.8 180 140 A 17 GLU HA A 17 GLU HB3 1.0 1.8 2.8 181 141 A 17 GLU HA A 17 GLU HGx 1.0 1.8 2.8 182 142 A 17 GLU HA A 17 GLU HGy 1.0 2.8 5.5 183 143 A 18 HIS H A 18 HIS HB2 1.0 1.8 2.8 184 144 A 18 HIS H A 18 HIS HB3 1.0 2.8 5.5 185 145 A 18 HIS HB2 A 18 HIS HD2 1.0 1.8 2.8 186 146 A 18 HIS HB3 A 18 HIS HD2 1.0 1.8 2.8 187 147 A 19 ALA H A 19 ALA HB% 1.0 1.8 3.8 188 148 A 20 HIS H A 20 HIS HB2 1.0 1.8 2.8 189 149 A 20 HIS H A 20 HIS HB3 1.0 1.8 2.8 190 150 A 20 HIS HB2 A 20 HIS HD2 1.0 1.8 2.8 191 151 A 20 HIS HB3 A 20 HIS HD2 1.0 1.8 2.8 192 152 A 2 ASP H A 3 THR H 1.0 1.8 2.8 193 153 A 3 THR H A 4 ARG H 1.0 1.8 2.8 194 154 A 4 ARG H A 5 TYR H 1.0 1.8 2.8 195 155 A 5 TYR H A 6 ASN H 1.0 1.8 2.8 196 156 A 6 ASN H A 7 LYS H 1.0 1.8 2.8 197 157 A 7 LYS H A 8 SER H 1.0 1.8 2.8 198 158 A 8 SER H A 9 PHE H 1.0 3.5 5.0 199 159 A 9 PHE H A 10 ILE H 1.0 2.8 3.5 200 160 A 10 ILE H A 11 ASN H 1.0 2.8 3.5 201 161 A 11 ASN H A 12 ASN H 1.0 2.8 3.5 202 162 A 12 ASN H A 13 LYS H 1.0 2.8 3.5 203 163 A 13 LYS H A 14 HIS H 1.0 1.8 2.8 204 164 A 14 HIS H A 15 LEU H 1.0 2.8 3.5 205 165 A 15 LEU H A 16 ASN H 1.0 2.8 3.5 206 166 A 16 ASN H A 17 GLU H 1.0 2.8 3.5 207 167 A 17 GLU H A 18 HIS H 1.0 2.8 3.5 208 168 A 18 HIS H A 19 ALA H 1.0 2.8 3.5 209 169 A 19 ALA H A 20 HIS H 1.0 2.8 3.5 210 170 A 1 SER HA A 2 ASP H 1.0 1.8 2.8 211 171 A 2 ASP HA A 3 THR H 1.0 1.8 2.8 212 172 A 3 THR HA A 4 ARG H 1.0 1.8 2.8 213 173 A 4 ARG HA A 5 TYR H 1.0 2.8 3.5 214 174 A 5 TYR HA A 6 ASN H 1.0 1.8 2.8 215 175 A 6 ASN HA A 7 LYS H 1.0 2.8 3.5 216 176 A 7 LYS HA A 8 SER H 1.0 2.8 3.5 217 177 A 8 SER HA A 9 PHE H 1.0 2.8 3.5 218 178 A 9 PHE HA A 10 ILE H 1.0 2.8 3.5 219 179 A 10 ILE HA A 11 ASN H 1.0 2.8 3.5 220 180 A 11 ASN HA A 12 ASN H 1.0 2.8 3.5 221 181 A 12 ASN HA A 13 LYS H 1.0 2.8 3.5 222 182 A 13 LYS HA A 14 HIS H 1.0 2.8 3.5 223 183 A 14 HIS HA A 15 LEU H 1.0 2.8 3.5 224 184 A 15 LEU HA A 16 ASN H 1.0 2.8 3.5 225 185 A 16 ASN HA A 17 GLU H 1.0 2.8 3.5 226 186 A 17 GLU HA A 18 HIS H 1.0 1.8 2.8 227 187 A 18 HIS HA A 19 ALA H 1.0 1.8 2.8 228 188 A 19 ALA HA A 20 HIS H 1.0 1.8 2.8 229 189 A 3 THR HA A 5 TYR H 1.0 2.8 3.5 230 190 A 4 ARG HA A 6 ASN H 1.0 2.8 3.5 231 191 A 5 TYR HA A 7 LYS H 1.0 3.5 5.0 232 192 A 7 LYS HA A 9 PHE H 1.0 3.5 5.0 233 193 A 8 SER HA A 10 ILE H 1.0 3.5 5.0 234 194 A 10 ILE HA A 12 ASN H 1.0 3.5 5.0 235 195 A 11 ASN HA A 13 LYS H 1.0 3.5 5.0 236 196 A 12 ASN HA A 14 HIS H 1.0 3.5 5.0 237 197 A 7 LYS HA A 10 ILE H 1.0 3.5 5.0 238 198 A 10 ILE HA A 13 LYS H 1.0 3.5 5.0 239 199 A 13 LYS HA A 16 ASN H 1.0 3.5 4.5 240 200 A 14 HIS HA A 17 GLU H 1.0 3.5 4.5 241 201 A 15 LEU HA A 18 HIS H 1.0 3.5 4.5 242 202 A 12 ASN HA A 15 LEU H 1.0 3.5 4.5 243 203 A 3 THR HA A 7 LYS H 1.0 3.5 4.5 244 204 A 4 ARG HA A 8 SER H 1.0 3.5 5.0 245 205 A 7 LYS HA A 11 ASN H 1.0 3.5 5.0 246 206 A 10 ILE HA A 14 HIS H 1.0 3.5 5.0 247 207 A 8 SER HA A 12 ASN H 1.0 3.5 5.0 248 208 A 9 PHE HA A 13 LYS H 1.0 3.5 5.0 249 209 A 12 ASN HA A 16 ASN H 1.0 3.5 5.0 250 210 A 15 LEU HA A 19 ALA H 1.0 3.5 5.0 251 211 A 11 ASN HA A 15 LEU H 1.0 3.5 5.0 252 212 A 10 ILE HA A 7 LYS HBx 1.0 3.5 5.0 253 212 A 10 ILE HA A 7 LYS HBy 1.0 3.5 5.0 254 213 A 17 GLU HA A 14 HIS HB2 1.0 3.5 5.0 255 213 A 17 GLU HA A 14 HIS HB3 1.0 3.5 5.0 256 214 A 9 PHE HA A 6 ASN HB3 1.0 3.5 5.0 257 214 A 9 PHE HA A 6 ASN HB2 1.0 3.5 5.0 258 215 A 18 HIS HA A 15 LEU HBx 1.0 2.8 5.0 259 215 A 18 HIS HA A 15 LEU HBy 1.0 2.8 5.0 260 216 A 6 ASN HA A 3 THR HG2% 1.0 3.5 5.0 stop_ save_ save_Discover_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 12 ASN H A 8 SER O 1.0 1.8 2.5 2 2 A 15 LEU H A 11 ASN O 1.0 1.8 2.5 3 3 A 17 GLU H A 13 LYS O 1.0 1.8 2.5 stop_ save_ save_Discover_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode Discover_dihedral_6 _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 SER N A 8 SER CA 1.0 178.0 180.0 OMEGA 8 8 A 8 SER CA A 8 SER 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_