data_nef_c25129_2msq 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 BMRB 25128 BMRB 2MSO PDB 2MSQ 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 CYS SG 1 14 CYS SG 1 6 CYS SG 1 16 CYS SG 1 10 CYS SG 1 21 CYS SG 1 11 TRP C 1 12 HYP N 1 12 HYP C 1 13 GLY N 1 1 SER N 1 27 PRO C 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 SER cyclic . . 2 A 2 CYS middle -HG . 3 A 3 GLY middle . false 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 CYS middle -HG . 7 A 7 PHE middle . . 8 A 8 GLY middle . false 9 A 9 GLY middle . false 10 A 10 CYS middle -HG . 11 A 11 TRP middle . . 12 A 12 HYP middle . . 13 A 13 GLY middle . false 14 A 14 CYS middle -HG . 15 A 15 SER middle . . 16 A 16 CYS middle -HG . 17 A 17 TYR middle . . 18 A 18 ALA middle . . 19 A 19 ARG middle . . 20 A 20 THR middle . . 21 A 21 CYS middle -HG . 22 A 22 PHE middle . . 23 A 23 ARG middle . . 24 A 24 ASP middle . . 25 A 25 GLY middle . false 26 A 26 LEU middle . . 27 A 27 PRO cyclic . false 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 1 SER H1 H 1 7.889 0.001 A 1 SER HA H 1 4.552 0.001 A 1 SER HB2 H 1 3.928 0.002 A 1 SER HB3 H 1 3.805 0.001 A 2 CYS H H 1 7.947 0.001 A 2 CYS HA H 1 4.583 0.001 A 2 CYS HBy H 1 2.929 0.002 A 2 CYS HBx H 1 2.880 0.002 A 3 GLY H H 1 7.215 0.000 A 3 GLY HA2 H 1 2.865 0.004 A 3 GLY HA3 H 1 3.503 0.001 A 4 GLY H H 1 7.860 0.001 A 4 GLY HAy H 1 4.356 0.000 A 4 GLY HAx H 1 3.686 0.001 A 5 SER H H 1 7.954 0.002 A 5 SER HA H 1 4.743 0.001 A 5 SER HBy H 1 4.042 0.001 A 5 SER HBx H 1 3.857 0.001 A 6 CYS H H 1 8.675 0.001 A 6 CYS HA H 1 4.354 0.001 A 6 CYS HB2 H 1 3.221 0.001 A 6 CYS HB3 H 1 3.129 0.001 A 7 PHE H H 1 8.274 0.000 A 7 PHE HA H 1 4.432 0.001 A 7 PHE HBy H 1 3.148 0.001 A 7 PHE HBx H 1 3.066 0.001 A 7 PHE HDx H 1 7.288 0.001 A 7 PHE HDy H 1 7.288 0.001 A 8 GLY H H 1 8.181 0.001 A 8 GLY HAy H 1 3.946 0.008 A 8 GLY HAx H 1 3.926 0.008 A 9 GLY H H 1 7.766 0.001 A 9 GLY HAx H 1 3.740 0.002 A 9 GLY HAy H 1 4.557 0.002 A 10 CYS H H 1 8.933 0.001 A 10 CYS HA H 1 4.954 0.007 A 10 CYS HB2 H 1 2.742 0.002 A 10 CYS HB3 H 1 2.998 0.002 A 11 TRP H H 1 8.159 0.001 A 11 TRP HA H 1 4.948 0.002 A 11 TRP HBy H 1 3.424 0.002 A 11 TRP HBx H 1 3.177 0.002 A 11 TRP HD1 H 1 7.291 0.002 A 11 TRP HE3 H 1 7.711 0.001 A 12 HYP HA H 1 4.615 0.005 A 12 HYP HB2 H 1 2.090 0.002 A 12 HYP HB3 H 1 2.090 0.002 A 12 HYP HD22 H 1 3.573 0.002 A 12 HYP HD23 H 1 3.830 0.001 A 12 HYP HG H 1 2.360 0.001 A 13 GLY H H 1 8.950 0.001 A 13 GLY HAx H 1 3.747 0.000 A 13 GLY HAy H 1 4.425 0.002 A 14 CYS H H 1 8.409 0.001 A 14 CYS HA H 1 5.208 0.003 A 14 CYS HB2 H 1 3.709 0.002 A 14 CYS HB3 H 1 3.054 0.003 A 15 SER H H 1 9.120 0.001 A 15 SER HA H 1 4.858 0.001 A 15 SER HBx H 1 3.790 0.003 A 15 SER HBy H 1 3.877 0.001 A 16 CYS H H 1 9.014 0.001 A 16 CYS HA H 1 5.038 0.001 A 16 CYS HB2 H 1 3.089 0.001 A 16 CYS HB3 H 1 3.235 0.002 A 17 TYR H H 1 9.557 0.000 A 17 TYR HA H 1 4.639 0.003 A 17 TYR HBx H 1 2.724 0.002 A 17 TYR HBy H 1 2.878 0.002 A 17 TYR HDx H 1 7.394 0.002 A 17 TYR HDy H 1 7.394 0.002 A 17 TYR HEx H 1 6.874 0.001 A 17 TYR HEy H 1 6.874 0.001 A 18 ALA H H 1 8.781 0.002 A 18 ALA HA H 1 3.820 0.001 A 18 ALA HB% H 1 1.186 0.001 A 19 ARG H H 1 8.533 0.001 A 19 ARG HA H 1 3.851 0.002 A 19 ARG HBx H 1 2.185 0.001 A 19 ARG HBy H 1 2.185 0.001 A 19 ARG HDx H 1 3.268 0.002 A 19 ARG HDy H 1 3.268 0.002 A 19 ARG HE H 1 7.247 0.005 A 19 ARG HGx H 1 1.591 0.004 A 19 ARG HGy H 1 1.591 0.004 A 20 THR H H 1 8.239 0.001 A 20 THR HA H 1 4.769 0.000 A 20 THR HB H 1 4.196 0.003 A 20 THR HG2% H 1 1.191 0.003 A 21 CYS H H 1 8.569 0.001 A 21 CYS HA H 1 5.185 0.001 A 21 CYS HB2 H 1 2.721 0.003 A 21 CYS HB3 H 1 2.595 0.002 A 22 PHE H H 1 9.600 0.002 A 22 PHE HA H 1 5.079 0.003 A 22 PHE HBx H 1 2.949 0.003 A 22 PHE HBy H 1 3.203 0.001 A 22 PHE HDx H 1 7.120 0.002 A 22 PHE HDy H 1 7.120 0.002 A 23 ARG H H 1 8.563 0.001 A 23 ARG HA H 1 4.396 0.003 A 23 ARG HB2 H 1 2.122 0.002 A 23 ARG HB3 H 1 1.846 0.004 A 23 ARG HDx H 1 3.242 0.002 A 23 ARG HDy H 1 3.242 0.002 A 23 ARG HE H 1 7.180 0.001 A 23 ARG HGx H 1 1.554 0.002 A 23 ARG HGy H 1 1.671 0.001 A 24 ASP H H 1 9.081 0.001 A 24 ASP HA H 1 4.371 0.002 A 24 ASP HBx H 1 2.759 0.001 A 24 ASP HBy H 1 2.924 0.001 A 25 GLY H H 1 8.638 0.002 A 25 GLY HAx H 1 3.713 0.001 A 25 GLY HAy H 1 4.242 0.001 A 26 LEU H H 1 8.042 0.002 A 26 LEU HA H 1 5.020 0.002 A 26 LEU HBx H 1 1.653 0.001 A 26 LEU HBy H 1 1.653 0.001 A 26 LEU HDx% H 1 1.014 0.003 A 26 LEU HDy% H 1 1.014 0.003 A 26 LEU HG H 1 1.722 0.003 A 27 PRO HA H 1 4.434 0.002 A 27 PRO HBx H 1 1.967 0.002 A 27 PRO HBy H 1 1.967 0.002 A 27 PRO HDx H 1 3.790 0.002 A 27 PRO HDy H 1 3.790 0.002 A 27 PRO HGy H 1 2.115 0.001 A 27 PRO HGx H 1 2.030 0.002 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 1 SER H1 A 1 SER HB2 1.0 . 3.98 2 2 A 1 SER H1 A 1 SER HB3 1.0 . 3.24 3 3 A 2 CYS H A 2 CYS HBx 1.0 . 3.48 4 4 A 2 CYS H A 2 CYS HBy 1.0 . 3.48 5 5 A 5 SER H A 5 SER HBy 1.0 . 3.27 6 6 A 5 SER H A 5 SER HBx 1.0 . 3.27 7 7 A 6 CYS H A 6 CYS HB2 1.0 . 2.96 8 8 A 6 CYS H A 6 CYS HB3 1.0 . 3.67 9 9 A 7 PHE H A 7 PHE HBx 1.0 . 2.65 10 10 A 7 PHE H A 7 PHE HBy 1.0 . 2.65 11 11 A 10 CYS H A 10 CYS HB2 1.0 . 2.77 12 12 A 10 CYS H A 10 CYS HB3 1.0 . 3.48 13 13 A 11 TRP H A 11 TRP HBy 1.0 . 3.14 14 14 A 11 TRP H A 11 TRP HBx 1.0 . 3.14 15 15 A 14 CYS H A 14 CYS HB2 1.0 . 2.80 16 16 A 14 CYS H A 14 CYS HB3 1.0 . 3.64 17 17 A 15 SER H A 15 SER HBx 1.0 . 4.01 18 18 A 15 SER H A 15 SER HBy 1.0 . 4.01 19 19 A 16 CYS H A 16 CYS HB2 1.0 . 2.77 20 20 A 16 CYS H A 16 CYS HB3 1.0 . 2.74 21 21 A 17 TYR H A 17 TYR HBy 1.0 . 3.39 22 22 A 17 TYR H A 17 TYR HBx 1.0 . 3.39 23 23 A 20 THR H A 20 THR HB 1.0 . 3.05 24 24 A 21 CYS H A 21 CYS HB2 1.0 . 2.74 25 25 A 21 CYS H A 21 CYS HB3 1.0 . 3.63 26 26 A 22 PHE H A 22 PHE HBy 1.0 . 3.27 27 27 A 22 PHE H A 22 PHE HBx 1.0 . 3.27 28 28 A 23 ARG H A 23 ARG HB2 1.0 . 4.14 29 29 A 23 ARG H A 23 ARG HB3 1.0 . 3.39 30 30 A 18 ALA H A 18 ALA HA 1.0 . 2.40 31 31 A 19 ARG H A 19 ARG HA 1.0 . 2.40 32 32 A 11 TRP H A 11 TRP HA 1.0 . 2.83 33 33 A 7 PHE H A 7 PHE HA 1.0 . 2.93 34 34 A 8 GLY H A 8 GLY HAx 1.0 . 2.83 35 35 A 8 GLY H A 8 GLY HAy 1.0 . 2.83 36 36 A 1 SER H1 A 27 PRO HA 1.0 . 2.96 37 37 A 2 CYS H A 1 SER HA 1.0 . 3.05 38 38 A 2 CYS HA A 3 GLY H 1.0 . 3.02 39 39 A 4 GLY H A 3 GLY HA3 1.0 . 3.11 40 40 A 4 GLY H A 3 GLY HA2 1.0 . 3.11 41 41 A 5 SER H A 4 GLY HAy 1.0 . 2.93 42 42 A 5 SER H A 4 GLY HAx 1.0 . 2.93 43 43 A 6 CYS H A 5 SER HA 1.0 . 2.74 44 44 A 6 CYS H A 7 PHE H 1.0 . 3.11 45 45 A 7 PHE H A 6 CYS HA 1.0 . 3.33 46 46 A 6 CYS HB2 A 7 PHE H 1.0 . 3.17 47 47 A 7 PHE H A 8 GLY H 1.0 . 3.21 48 48 A 7 PHE HA A 8 GLY H 1.0 . 3.25 49 49 A 8 GLY H A 7 PHE HBx 1.0 . 3.73 50 50 A 8 GLY H A 9 GLY H 1.0 . 2.90 51 51 A 10 CYS H A 9 GLY HAy 1.0 . 3.02 52 52 A 10 CYS H A 9 GLY HAx 1.0 . 3.02 53 53 A 10 CYS HB3 A 11 TRP H 1.0 . 2.93 54 54 A 10 CYS HB2 A 11 TRP H 1.0 . 3.70 55 55 A 11 TRP H A 14 CYS HB2 1.0 . 3.55 56 56 A 11 TRP H A 10 CYS HA 1.0 . 2.83 57 57 A 12 HYP HA A 13 GLY H 1.0 . 2.59 58 58 A 14 CYS H A 13 GLY H 1.0 . 2.93 59 59 A 14 CYS H A 12 HYP HA 1.0 . 3.61 60 60 A 15 SER H A 14 CYS HA 1.0 . 2.71 61 61 A 14 CYS HB3 A 15 SER H 1.0 . 3.11 62 62 A 16 CYS H A 15 SER HBx 1.0 . 3.17 63 63 A 16 CYS H A 15 SER HBy 1.0 . 3.17 64 64 A 17 TYR H A 16 CYS HA 1.0 . 2.65 65 65 A 17 TYR H A 20 THR H 1.0 . 3.33 66 66 A 18 ALA H A 17 TYR HA 1.0 . 2.49 67 67 A 18 ALA H A 19 ARG H 1.0 . 3.14 68 68 A 20 THR H A 19 ARG H 1.0 . 2.99 69 69 A 20 THR H A 19 ARG HA 1.0 . 3.33 70 70 A 21 CYS H A 20 THR HA 1.0 . 2.77 71 71 A 20 THR HB A 21 CYS H 1.0 . 3.17 72 72 A 22 PHE H A 21 CYS HA 1.0 . 2.65 73 73 A 21 CYS HB3 A 22 PHE H 1.0 . 3.70 74 74 A 15 SER H A 22 PHE H 1.0 . 3.24 75 75 A 23 ARG H A 22 PHE HA 1.0 . 2.93 76 76 A 24 ASP HA A 25 GLY H 1.0 . 2.90 77 77 A 25 GLY H A 26 LEU H 1.0 . 3.36 78 78 A 18 ALA HA A 19 ARG H 1.0 . 2.59 79 79 A 1 SER HB3 A 1 SER HA 1.0 . 3.02 80 80 A 2 CYS H A 3 GLY H 1.0 . 4.28 81 81 A 3 GLY H A 4 GLY H 1.0 . 4.11 82 82 A 6 CYS HA A 9 GLY H 1.0 . 4.63 83 83 A 5 SER H A 10 CYS HA 1.0 . 3.86 84 84 A 7 PHE H A 5 SER HA 1.0 . 3.95 85 85 A 7 PHE H A 9 GLY H 1.0 . 4.14 86 86 A 7 PHE HA A 9 GLY H 1.0 . 4.11 87 87 A 8 GLY H A 7 PHE HBy 1.0 . 4.03 88 88 A 10 CYS H A 9 GLY H 1.0 . 3.98 89 89 A 14 CYS HB2 A 15 SER H 1.0 . 3.98 90 90 A 22 PHE H A 16 CYS HA 1.0 . 4.20 91 91 A 17 TYR H A 21 CYS HA 1.0 . 3.92 92 92 A 17 TYR H A 18 ALA H 1.0 . 4.66 93 93 A 18 ALA H A 17 TYR HBy 1.0 . 4.17 94 94 A 18 ALA H A 17 TYR HBx 1.0 . 4.17 95 95 A 19 ARG H A 17 TYR HA 1.0 . 4.42 96 96 A 20 THR H A 19 ARG HBx 1.0 . 5.54 97 96 A 20 THR H A 19 ARG HBy 1.0 . 5.54 98 97 A 20 THR H A 18 ALA H 1.0 . 4.51 99 98 A 20 THR H A 16 CYS HA 1.0 . 4.57 100 99 A 21 CYS HB3 A 22 PHE HA 1.0 . 4.45 101 100 A 22 PHE H A 23 ARG H 1.0 . 4.14 102 101 A 21 CYS HB2 A 22 PHE H 1.0 . 4.35 103 102 A 23 ARG H A 26 LEU H 1.0 . 4.28 104 103 A 1 SER H1 A 23 ARG H 1.0 . 4.45 105 104 A 25 GLY H A 24 ASP H 1.0 . 4.51 106 105 A 25 GLY H A 24 ASP HBy 1.0 . 4.45 107 106 A 25 GLY H A 24 ASP HBx 1.0 . 4.45 108 107 A 24 ASP H A 23 ARG HA 1.0 . 2.99 109 108 A 19 ARG H A 19 ARG HDx 1.0 . 6.38 110 108 A 19 ARG H A 19 ARG HDy 1.0 . 6.38 111 109 A 19 ARG H A 19 ARG HGx 1.0 . 4.74 112 109 A 19 ARG H A 19 ARG HGy 1.0 . 4.74 113 110 A 23 ARG H A 23 ARG HDx 1.0 . 6.38 114 110 A 23 ARG H A 23 ARG HDy 1.0 . 6.38 115 111 A 23 ARG H A 23 ARG HGy 1.0 . 5.50 116 112 A 23 ARG H A 23 ARG HGx 1.0 . 5.50 117 113 A 26 LEU H A 26 LEU HG 1.0 . 3.73 118 114 A 1 SER H1 A 26 LEU HBx 1.0 . 6.07 119 114 A 1 SER H1 A 26 LEU HBy 1.0 . 6.07 120 115 A 7 PHE HA A 7 PHE HD% 1.0 . 6.33 121 116 A 11 TRP HA A 11 TRP HD1 1.0 . 3.17 122 117 A 17 TYR HA A 17 TYR HE% 1.0 . 6.36 123 118 A 19 ARG HA A 19 ARG HE 1.0 . 5.50 124 119 A 10 CYS HB3 A 14 CYS HB2 1.0 . 3.55 125 120 A 10 CYS HB2 A 14 CYS HB2 1.0 . 4.04 126 121 A 14 CYS HB2 A 21 CYS HB3 1.0 . 5.50 127 122 A 19 ARG HA A 19 ARG HDx 1.0 . 6.38 128 122 A 19 ARG HA A 19 ARG HDy 1.0 . 6.38 129 123 A 23 ARG HA A 23 ARG HDx 1.0 . 6.38 130 123 A 23 ARG HA A 23 ARG HDy 1.0 . 6.38 131 124 A 26 LEU HBx A 27 PRO HDx 1.0 . 6.59 132 124 A 27 PRO HDy A 26 LEU HBx 1.0 . 6.59 133 124 A 26 LEU HBy A 27 PRO HDy 1.0 . 6.59 134 124 A 26 LEU HBy A 27 PRO HDx 1.0 . 6.59 135 125 A 14 CYS HB3 A 21 CYS HB3 1.0 . 4.79 136 126 A 10 CYS HB3 A 21 CYS HB3 1.0 . 4.04 137 127 A 21 CYS HB3 A 2 CYS HBy 1.0 . 4.54 138 128 A 21 CYS HB3 A 2 CYS HBx 1.0 . 4.54 139 129 A 1 SER H1 A 27 PRO HBx 1.0 . 6.38 140 129 A 1 SER H1 A 27 PRO HBy 1.0 . 6.38 141 130 A 1 SER H1 A 26 LEU HG 1.0 . 5.50 142 131 A 14 CYS HB2 A 2 CYS HBy 1.0 . 5.50 143 132 A 14 CYS HB2 A 2 CYS HBx 1.0 . 5.50 144 133 A 21 CYS HB2 A 3 GLY H 1.0 . 5.50 145 134 A 21 CYS HB3 A 3 GLY H 1.0 . 5.50 146 135 A 16 CYS HB2 A 6 CYS HA 1.0 . 4.94 147 136 A 11 TRP HD1 A 12 HYP HD23 1.0 . 5.50 148 137 A 11 TRP HD1 A 12 HYP HD22 1.0 . 5.50 149 138 A 11 TRP HE3 A 11 TRP HBy 1.0 . 3.61 150 139 A 11 TRP H A 11 TRP HD1 1.0 . 4.88 151 140 A 11 TRP HA A 11 TRP HE3 1.0 . 5.50 152 141 A 11 TRP HE3 A 11 TRP HBx 1.0 . 3.61 153 142 A 11 TRP H A 21 CYS HB3 1.0 . 5.50 154 143 A 14 CYS HB3 A 22 PHE H 1.0 . 5.50 155 144 A 26 LEU HG A 27 PRO HDx 1.0 . 6.39 156 144 A 26 LEU HG A 27 PRO HDy 1.0 . 6.39 157 145 A 21 CYS HB2 A 22 PHE HD% 1.0 . 7.26 158 146 A 17 TYR H A 22 PHE HD% 1.0 . 7.63 159 147 A 17 TYR HD% A 27 PRO HBx 1.0 . 8.51 160 147 A 27 PRO HBy A 17 TYR HD% 1.0 . 8.51 161 148 A 20 THR HB A 17 TYR HD% 1.0 . 6.95 162 149 A 18 ALA H A 17 TYR HE% 1.0 . 7.63 163 150 A 19 ARG HE A 19 ARG HBx 1.0 . 6.38 164 150 A 19 ARG HBy A 19 ARG HE 1.0 . 6.38 165 151 A 20 THR HB A 22 PHE HD% 1.0 . 7.63 166 152 A 23 ARG HB2 A 14 CYS HA 1.0 . 5.10 167 153 A 23 ARG HB3 A 14 CYS HA 1.0 . 5.50 168 154 A 22 PHE H A 22 PHE HD% 1.0 . 7.63 169 155 A 23 ARG H A 22 PHE HD% 1.0 . 7.63 170 156 A 23 ARG HA A 22 PHE HD% 1.0 . 7.63 171 157 A 23 ARG HA A 23 ARG HE 1.0 . 5.50 172 158 A 23 ARG HB2 A 23 ARG HE 1.0 . 5.50 173 159 A 23 ARG HB3 A 23 ARG HE 1.0 . 5.50 174 160 A 26 LEU H A 27 PRO HDx 1.0 . 6.14 175 160 A 26 LEU H A 27 PRO HDy 1.0 . 6.14 176 161 A 20 THR H A 20 THR HG2% 1.0 . 4.57 177 162 A 26 LEU H A 26 LEU HDx% 1.0 . 7.60 178 162 A 26 LEU H A 26 LEU HDy% 1.0 . 7.60 179 163 A 19 ARG H A 18 ALA HB% 1.0 . 4.35 180 164 A 21 CYS H A 20 THR HG2% 1.0 . 4.35 181 165 A 17 TYR HE% A 18 ALA HB% 1.0 . 7.63 182 166 A 26 LEU HA A 26 LEU HDx% 1.0 . 7.60 183 166 A 26 LEU HDy% A 26 LEU HA 1.0 . 7.60 184 167 A 26 LEU HDx% A 27 PRO HDx 1.0 . 8.27 185 167 A 26 LEU HDy% A 27 PRO HDx 1.0 . 8.27 186 167 A 27 PRO HDy A 26 LEU HDx% 1.0 . 8.27 187 167 A 27 PRO HDy A 26 LEU HDy% 1.0 . 8.27 188 168 A 17 TYR HD% A 18 ALA HB% 1.0 . 7.93 189 169 A 18 ALA HB% A 19 ARG HGx 1.0 . 7.40 190 169 A 19 ARG HGy A 18 ALA HB% 1.0 . 7.40 191 170 A 21 CYS HB3 A 20 THR HG2% 1.0 . 5.84 192 171 A 21 CYS HB2 A 20 THR HG2% 1.0 . 6.52 193 172 A 1 SER H1 A 27 PRO HGy 1.0 . 4.45 194 172 A 1 SER H1 A 27 PRO HGx 1.0 . 4.45 195 173 A 2 CYS H A 2 CYS HBx 1.0 . 3.00 196 173 A 2 CYS H A 2 CYS HBy 1.0 . 3.00 197 174 A 3 GLY H A 2 CYS HBx 1.0 . 3.56 198 174 A 3 GLY H A 2 CYS HBy 1.0 . 3.56 199 175 A 11 TRP H A 2 CYS HBx 1.0 . 5.34 200 175 A 11 TRP H A 2 CYS HBy 1.0 . 5.34 201 176 A 14 CYS HA A 2 CYS HBx 1.0 . 5.34 202 176 A 14 CYS HA A 2 CYS HBy 1.0 . 5.34 203 177 A 21 CYS HB3 A 2 CYS HBx 1.0 . 3.78 204 177 A 21 CYS HB3 A 2 CYS HBy 1.0 . 3.78 205 178 A 3 GLY H A 3 GLY HA3 1.0 . 2.58 206 178 A 3 GLY H A 3 GLY HA2 1.0 . 2.58 207 179 A 3 GLY H A 11 TRP HBy 1.0 . 5.20 208 179 A 3 GLY H A 11 TRP HBx 1.0 . 5.20 209 180 A 4 GLY H A 3 GLY HA3 1.0 . 2.66 210 180 A 4 GLY H A 3 GLY HA2 1.0 . 2.66 211 181 A 11 TRP HD1 A 3 GLY HA3 1.0 . 5.34 212 181 A 11 TRP HD1 A 3 GLY HA2 1.0 . 5.34 213 182 A 11 TRP HE3 A 3 GLY HA3 1.0 . 5.29 214 182 A 11 TRP HE3 A 3 GLY HA2 1.0 . 5.29 215 183 A 4 GLY H A 4 GLY HAx 1.0 . 2.56 216 183 A 4 GLY H A 4 GLY HAy 1.0 . 2.56 217 184 A 5 SER H A 4 GLY HAx 1.0 . 2.44 218 184 A 5 SER H A 4 GLY HAy 1.0 . 2.44 219 185 A 11 TRP H A 4 GLY HAx 1.0 . 3.29 220 185 A 11 TRP H A 4 GLY HAy 1.0 . 3.29 221 186 A 11 TRP HA A 4 GLY HAx 1.0 . 4.26 222 186 A 11 TRP HA A 4 GLY HAy 1.0 . 4.26 223 187 A 11 TRP HD1 A 4 GLY HAx 1.0 . 3.93 224 187 A 11 TRP HD1 A 4 GLY HAy 1.0 . 3.93 225 188 A 6 CYS H A 5 SER HBy 1.0 . 3.05 226 188 A 6 CYS H A 5 SER HBx 1.0 . 3.05 227 189 A 7 PHE H A 5 SER HBy 1.0 . 3.10 228 189 A 7 PHE H A 5 SER HBx 1.0 . 3.10 229 190 A 7 PHE H A 7 PHE HBx 1.0 . 2.28 230 190 A 7 PHE H A 7 PHE HBy 1.0 . 2.28 231 191 A 7 PHE HA A 7 PHE HBx 1.0 . 2.63 232 191 A 7 PHE HA A 7 PHE HBy 1.0 . 2.63 233 192 A 8 GLY H A 7 PHE HBx 1.0 . 3.07 234 192 A 8 GLY H A 7 PHE HBy 1.0 . 3.07 235 193 A 9 GLY H A 9 GLY HAy 1.0 . 2.56 236 193 A 9 GLY H A 9 GLY HAx 1.0 . 2.56 237 194 A 10 CYS H A 9 GLY HAy 1.0 . 2.36 238 194 A 10 CYS H A 9 GLY HAx 1.0 . 2.36 239 195 A 10 CYS HB3 A 15 SER HBx 1.0 . 5.34 240 195 A 10 CYS HB3 A 15 SER HBy 1.0 . 5.34 241 196 A 11 TRP H A 11 TRP HBy 1.0 . 2.52 242 196 A 11 TRP H A 11 TRP HBx 1.0 . 2.52 243 197 A 13 GLY H A 13 GLY HAx 1.0 . 2.41 244 197 A 13 GLY H A 13 GLY HAy 1.0 . 2.41 245 198 A 14 CYS H A 13 GLY HAx 1.0 . 3.11 246 198 A 14 CYS H A 13 GLY HAy 1.0 . 3.11 247 199 A 15 SER H A 15 SER HBx 1.0 . 3.24 248 199 A 15 SER H A 15 SER HBy 1.0 . 3.24 249 200 A 17 TYR H A 17 TYR HBy 1.0 . 2.93 250 200 A 17 TYR H A 17 TYR HBx 1.0 . 2.93 251 201 A 22 PHE HD% A 17 TYR HBy 1.0 . 7.31 252 201 A 22 PHE HD% A 17 TYR HBx 1.0 . 7.31 253 202 A 21 CYS HB2 A 22 PHE HBy 1.0 . 5.24 254 202 A 21 CYS HB2 A 22 PHE HBx 1.0 . 5.24 255 203 A 22 PHE H A 22 PHE HBy 1.0 . 2.80 256 203 A 22 PHE H A 22 PHE HBx 1.0 . 2.80 257 204 A 23 ARG H A 22 PHE HBy 1.0 . 3.36 258 204 A 23 ARG H A 22 PHE HBx 1.0 . 3.36 259 205 A 23 ARG HB3 A 23 ARG HGy 1.0 . 2.54 260 205 A 23 ARG HB3 A 23 ARG HGx 1.0 . 2.54 261 206 A 24 ASP H A 24 ASP HBx 1.0 . 3.62 262 206 A 24 ASP H A 24 ASP HBy 1.0 . 3.62 263 207 A 25 GLY H A 24 ASP HBx 1.0 . 3.71 264 207 A 25 GLY H A 24 ASP HBy 1.0 . 3.71 265 208 A 24 ASP HBx A 25 GLY HAx 1.0 . 3.61 266 208 A 24 ASP HBy A 25 GLY HAx 1.0 . 3.61 267 208 A 25 GLY HAy A 24 ASP HBx 1.0 . 3.61 268 208 A 24 ASP HBy A 25 GLY HAy 1.0 . 3.61 269 209 A 25 GLY H A 25 GLY HAx 1.0 . 2.54 270 209 A 25 GLY H A 25 GLY HAy 1.0 . 2.54 271 210 A 15 SER H A 23 ARG HA 1.0 . 3.92 272 211 A 16 CYS HA A 21 CYS HA 1.0 . 4.17 273 212 A 18 ALA HA A 19 ARG H 1.0 . 2.71 274 213 A 20 THR H A 19 ARG HA 1.0 . 3.27 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _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 C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -160.0 -40.0 PHI 2 2 A 2 CYS C A 3 GLY N A 3 GLY CA A 3 GLY C 1.0 -160.0 -40.0 PHI 3 3 A 3 GLY C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 10.0 90.0 PHI 4 4 A 5 SER C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -160.0 -40.0 PHI 5 5 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 -90.0 -30.0 CHI1 6 6 A 6 CYS C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -80.0 -50.0 PHI 7 7 A 7 PHE C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -160.0 -40.0 PHI 8 8 A 8 GLY C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 10.0 90.0 PHI 9 9 A 9 GLY C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -80.0 -50.0 PHI 10 10 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -90.0 -30.0 CHI1 11 11 A 10 CYS C A 11 TRP N A 11 TRP CA A 11 TRP C 1.0 -160.0 -40.0 PHI 12 12 A 12 HYP C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 10.0 90.0 PHI 13 13 A 13 GLY C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -150.0 -90.0 PHI 14 14 A 14 CYS N A 14 CYS CA A 14 CYS CB A 14 CYS SG 1.0 -90.0 -30.0 CHI1 15 15 A 15 SER C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -160.0 -40.0 PHI 16 16 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 150.0 210.0 CHI1 17 17 A 16 CYS C A 17 TYR N A 17 TYR CA A 17 TYR C 1.0 -160.0 -40.0 PHI 18 18 A 17 TYR C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 10.0 90.0 PHI 19 19 A 18 ALA C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 10.0 90.0 PHI 20 20 A 19 ARG C A 20 THR N A 20 THR CA A 20 THR C 1.0 -150.0 -90.0 PHI 21 21 A 20 THR C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -160.0 -40.0 PHI 22 22 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 -90.0 -30.0 CHI1 23 23 A 21 CYS C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -160.0 -40.0 PHI 24 24 A 22 PHE C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -160.0 -40.0 PHI 25 25 A 23 ARG N A 23 ARG CA A 23 ARG CB A 23 ARG CG 1.0 30.0 90.0 CHI1 26 26 A 23 ARG C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -160.0 -40.0 PHI 27 27 A 24 ASP C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 10.0 90.0 PHI 28 28 A 25 GLY C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -160.0 -40.0 PHI stop_ save_