data_nef_c25941_2nal 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 25926 PDB 2K6O PDB 2NA3 PDB 2NAL 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 ARG start . . 2 A 2 LEU middle . . 3 A 3 PHE middle . . 4 A 4 ASP middle . . 5 A 5 LYS middle . . 6 A 6 ILE middle . . 7 A 7 ARG middle . . 8 A 8 GLN middle . . 9 A 9 VAL middle . . 10 A 10 ILE middle . . 11 A 11 ARG middle . . 12 A 12 LYS end . . 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 ARG HA H 1 4.093 0.001 A 1 ARG HBy H 1 2.142 0.000 A 1 ARG HBx H 1 1.954 0.000 A 1 ARG HDx H 1 3.247 0.000 A 1 ARG HDy H 1 3.247 0.000 A 1 ARG HGx H 1 1.733 0.000 A 1 ARG HGy H 1 1.733 0.000 A 2 LEU H H 1 8.634 0.001 A 2 LEU HA H 1 4.015 0.002 A 2 LEU HBx H 1 1.597 0.000 A 2 LEU HBy H 1 1.597 0.000 A 2 LEU HDx% H 1 0.825 0.000 A 2 LEU HDy% H 1 0.760 0.000 A 2 LEU HG H 1 1.417 0.000 A 3 PHE H H 1 8.273 0.001 A 3 PHE HA H 1 4.289 0.003 A 3 PHE HBy H 1 3.233 0.000 A 3 PHE HBx H 1 3.069 0.000 A 3 PHE HDx H 1 7.155 0.003 A 3 PHE HDy H 1 7.155 0.003 A 4 ASP H H 1 7.771 0.003 A 4 ASP HA H 1 4.313 0.001 A 4 ASP HBy H 1 2.901 0.000 A 4 ASP HBx H 1 2.796 0.000 A 5 LYS H H 1 7.831 0.003 A 5 LYS HA H 1 4.103 0.003 A 5 LYS HBx H 1 1.805 0.000 A 5 LYS HBy H 1 1.805 0.000 A 5 LYS HDx H 1 1.385 0.000 A 5 LYS HDy H 1 1.385 0.000 A 5 LYS HEx H 1 2.913 0.000 A 5 LYS HEy H 1 2.913 0.000 A 5 LYS HGx H 1 1.619 0.000 A 5 LYS HGy H 1 1.619 0.000 A 6 ILE H H 1 7.687 0.000 A 6 ILE HA H 1 3.676 0.001 A 6 ILE HB H 1 1.838 0.000 A 6 ILE HD1% H 1 0.820 0.000 A 6 ILE HG1y H 1 1.627 0.000 A 6 ILE HG1x H 1 1.076 0.000 A 7 ARG H H 1 7.912 0.001 A 7 ARG HA H 1 3.809 0.002 A 7 ARG HBy H 1 1.798 0.000 A 7 ARG HBx H 1 1.735 0.000 A 7 ARG HDx H 1 3.103 0.001 A 7 ARG HDy H 1 3.103 0.001 A 7 ARG HE H 1 7.092 0.001 A 7 ARG HGy H 1 1.659 0.000 A 7 ARG HGx H 1 1.533 0.000 A 8 GLN H H 1 7.489 0.001 A 8 GLN HA H 1 4.085 0.003 A 8 GLN HBy H 1 2.427 0.000 A 8 GLN HBx H 1 2.398 0.000 A 8 GLN HGy H 1 2.133 0.000 A 9 VAL H H 1 7.530 0.000 A 9 VAL HA H 1 4.034 0.000 A 9 VAL HB H 1 2.203 0.000 A 9 VAL HGx% H 1 0.997 0.000 A 9 VAL HGy% H 1 0.920 0.000 A 10 ILE H H 1 7.399 0.002 A 10 ILE HA H 1 3.987 0.003 A 10 ILE HB H 1 1.892 0.000 A 10 ILE HD1% H 1 0.771 0.000 A 10 ILE HG1y H 1 1.512 0.000 A 10 ILE HG1x H 1 1.240 0.000 A 10 ILE HG2% H 1 0.881 0.000 A 11 ARG H H 1 7.831 0.001 A 11 ARG HA H 1 4.270 0.002 A 11 ARG HBy H 1 1.873 0.000 A 11 ARG HBx H 1 1.791 0.000 A 11 ARG HDy H 1 3.161 0.000 A 11 ARG HDx H 1 3.095 0.000 A 11 ARG HE H 1 7.025 0.002 A 11 ARG HGx H 1 1.617 0.000 A 11 ARG HGy H 1 1.617 0.000 A 12 LYS H H 1 7.761 0.002 A 12 LYS HA H 1 4.215 0.000 A 12 LYS HBy H 1 1.846 0.000 A 12 LYS HBx H 1 1.744 0.000 A 12 LYS HDx H 1 1.409 0.000 A 12 LYS HDy H 1 1.409 0.000 A 12 LYS HEx H 1 2.957 0.000 A 12 LYS HEy H 1 2.957 0.000 A 12 LYS HGx H 1 1.634 0.000 A 12 LYS HGy H 1 1.634 0.000 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 2 LEU H A 2 LEU HDx% 1.0 . 4.17 2 2 A 2 LEU H A 2 LEU HDy% 1.0 . 4.00 3 3 A 2 LEU H A 2 LEU HBx 1.0 . 3.36 4 3 A 2 LEU H A 2 LEU HBy 1.0 . 3.36 5 4 A 2 LEU H A 2 LEU HG 1.0 . 3.63 6 5 A 3 PHE H A 2 LEU HBx 1.0 . 3.91 7 5 A 2 LEU HBy A 3 PHE H 1.0 . 3.91 8 6 A 2 LEU HG A 3 PHE H 1.0 . 3.74 9 7 A 2 LEU HDx% A 3 PHE H 1.0 . 5.05 10 8 A 3 PHE H A 6 ILE HD1% 1.0 . 5.44 11 9 A 2 LEU HDy% A 3 PHE H 1.0 . 4.38 12 10 A 3 PHE H A 2 LEU HA 1.0 . 3.51 13 11 A 2 LEU HG A 2 LEU HA 1.0 . 3.78 14 12 A 2 LEU H A 1 ARG HDx 1.0 . 4.90 15 12 A 2 LEU H A 1 ARG HDy 1.0 . 4.90 16 13 A 2 LEU H A 1 ARG HBx 1.0 . 3.96 17 14 A 2 LEU H A 1 ARG HGx 1.0 . 4.40 18 14 A 2 LEU H A 1 ARG HGy 1.0 . 4.40 19 15 A 3 PHE H A 1 ARG HBx 1.0 . 5.39 20 16 A 3 PHE H A 1 ARG HGx 1.0 . 5.04 21 16 A 3 PHE H A 1 ARG HGy 1.0 . 5.04 22 17 A 2 LEU H A 1 ARG HBy 1.0 . 4.42 23 18 A 3 PHE H A 1 ARG HDx 1.0 . 3.83 24 18 A 3 PHE H A 1 ARG HDy 1.0 . 3.83 25 19 A 3 PHE H A 1 ARG HBy 1.0 . 5.50 26 20 A 2 LEU H A 1 ARG HA 1.0 . 3.30 27 21 A 3 PHE H A 1 ARG HA 1.0 . 4.60 28 22 A 3 PHE H A 3 PHE HBy 1.0 . 3.72 29 23 A 3 PHE HBy A 4 ASP H 1.0 . 3.65 30 24 A 4 ASP H A 1 ARG HDx 1.0 . 4.02 31 24 A 1 ARG HDy A 4 ASP H 1.0 . 4.02 32 25 A 4 ASP H A 3 PHE HBx 1.0 . 4.56 33 26 A 4 ASP H A 4 ASP HBy 1.0 . 3.22 34 27 A 4 ASP H A 4 ASP HBx 1.0 . 3.36 35 28 A 12 LYS H A 12 LYS HDx 1.0 . 3.34 36 28 A 12 LYS H A 12 LYS HDy 1.0 . 3.34 37 29 A 4 ASP H A 1 ARG HGx 1.0 . 4.12 38 29 A 1 ARG HGy A 4 ASP H 1.0 . 4.12 39 30 A 1 ARG HBx A 4 ASP H 1.0 . 4.11 40 31 A 1 ARG HBy A 4 ASP H 1.0 . 4.72 41 32 A 4 ASP HBy A 5 LYS H 1.0 . 3.70 42 33 A 4 ASP HBx A 5 LYS H 1.0 . 3.94 43 34 A 5 LYS HA A 5 LYS HEx 1.0 . 4.34 44 34 A 5 LYS HA A 5 LYS HEy 1.0 . 4.34 45 35 A 5 LYS HA A 5 LYS HGx 1.0 . 3.32 46 35 A 5 LYS HA A 5 LYS HGy 1.0 . 3.32 47 36 A 5 LYS HA A 5 LYS HDx 1.0 . 3.37 48 36 A 5 LYS HA A 5 LYS HDy 1.0 . 3.37 49 37 A 5 LYS H A 5 LYS HBx 1.0 . 3.09 50 37 A 5 LYS H A 5 LYS HBy 1.0 . 3.09 51 38 A 5 LYS H A 5 LYS HGx 1.0 . 3.23 52 38 A 5 LYS H A 5 LYS HGy 1.0 . 3.23 53 39 A 11 ARG H A 11 ARG HGx 1.0 . 3.65 54 39 A 11 ARG H A 11 ARG HGy 1.0 . 3.65 55 40 A 5 LYS H A 5 LYS HDx 1.0 . 3.99 56 40 A 5 LYS H A 5 LYS HDy 1.0 . 3.99 57 41 A 11 ARG H A 12 LYS HDx 1.0 . 4.48 58 41 A 12 LYS HDy A 11 ARG H 1.0 . 4.48 59 42 A 6 ILE H A 6 ILE HG1y 1.0 . 4.06 60 43 A 6 ILE H A 5 LYS HDx 1.0 . 5.12 61 43 A 5 LYS HDy A 6 ILE H 1.0 . 5.12 62 44 A 6 ILE H A 6 ILE HB 1.0 . 3.05 63 45 A 6 ILE HA A 6 ILE HG1y 1.0 . 4.01 64 46 A 6 ILE HA A 6 ILE HG1x 1.0 . 4.01 65 47 A 6 ILE HD1% A 6 ILE HA 1.0 . 3.35 66 48 A 6 ILE HD1% A 6 ILE H 1.0 . 3.68 67 49 A 6 ILE H A 6 ILE HG1x 1.0 . 4.06 68 50 A 6 ILE HD1% A 7 ARG H 1.0 . 4.24 69 51 A 7 ARG H A 7 ARG HGy 1.0 . 4.52 70 52 A 6 ILE HB A 7 ARG H 1.0 . 3.10 71 53 A 7 ARG HA A 7 ARG HDx 1.0 . 3.70 72 53 A 7 ARG HA A 7 ARG HDy 1.0 . 3.70 73 54 A 7 ARG HA A 7 ARG HGy 1.0 . 3.70 74 55 A 7 ARG HA A 7 ARG HGx 1.0 . 3.70 75 56 A 7 ARG H A 7 ARG HDx 1.0 . 4.23 76 56 A 7 ARG H A 7 ARG HDy 1.0 . 4.23 77 57 A 7 ARG H A 7 ARG HBy 1.0 . 3.44 78 58 A 7 ARG H A 7 ARG HGx 1.0 . 4.52 79 59 A 7 ARG HBx A 8 GLN H 1.0 . 3.83 80 60 A 7 ARG HBy A 8 GLN H 1.0 . 4.14 81 61 A 8 GLN H A 7 ARG HGy 1.0 . 5.31 82 62 A 8 GLN H A 7 ARG HGx 1.0 . 5.31 83 63 A 8 GLN H A 10 ILE HG1x 1.0 . 5.50 84 64 A 8 GLN H A 8 GLN HBx 1.0 . 4.04 85 65 A 8 GLN HBx A 9 VAL H 1.0 . 4.91 86 66 A 8 GLN H A 8 GLN HBy 1.0 . 4.13 87 67 A 9 VAL H A 8 GLN HBy 1.0 . 5.50 88 68 A 9 VAL H A 9 VAL HB 1.0 . 3.41 89 69 A 9 VAL HA A 9 VAL HGx% 1.0 . 3.06 90 70 A 9 VAL HA A 9 VAL HGy% 1.0 . 3.01 91 71 A 9 VAL H A 9 VAL HGx% 1.0 . 3.44 92 72 A 9 VAL H A 9 VAL HGy% 1.0 . 3.74 93 73 A 9 VAL HB A 10 ILE H 1.0 . 3.69 94 74 A 9 VAL HGx% A 10 ILE H 1.0 . 3.88 95 75 A 10 ILE H A 10 ILE HG2% 1.0 . 3.77 96 76 A 10 ILE HG1x A 10 ILE HA 1.0 . 3.61 97 77 A 10 ILE HA A 10 ILE HG1y 1.0 . 3.53 98 78 A 10 ILE HG2% A 10 ILE HA 1.0 . 3.25 99 79 A 10 ILE HA A 10 ILE HD1% 1.0 . 3.95 100 80 A 10 ILE H A 10 ILE HD1% 1.0 . 3.77 101 81 A 10 ILE H A 10 ILE HG1y 1.0 . 3.62 102 82 A 10 ILE H A 10 ILE HB 1.0 . 3.26 103 83 A 10 ILE HG1x A 10 ILE H 1.0 . 3.43 104 84 A 11 ARG H A 10 ILE HG1x 1.0 . 4.04 105 85 A 11 ARG H A 10 ILE HG2% 1.0 . 3.48 106 86 A 11 ARG H A 10 ILE HD1% 1.0 . 4.42 107 87 A 11 ARG HA A 11 ARG HDx 1.0 . 3.82 108 88 A 11 ARG HA A 11 ARG HGx 1.0 . 3.21 109 88 A 11 ARG HGy A 11 ARG HA 1.0 . 3.21 110 89 A 12 LYS H A 12 LYS HGx 1.0 . 4.10 111 89 A 12 LYS H A 12 LYS HGy 1.0 . 4.10 112 90 A 12 LYS HA A 12 LYS HEx 1.0 . 5.50 113 90 A 12 LYS HA A 12 LYS HEy 1.0 . 5.50 114 91 A 12 LYS HA A 12 LYS HGx 1.0 . 3.75 115 91 A 12 LYS HGy A 12 LYS HA 1.0 . 3.75 116 92 A 12 LYS HA A 12 LYS HDx 1.0 . 3.71 117 92 A 12 LYS HDy A 12 LYS HA 1.0 . 3.71 118 93 A 3 PHE H A 3 PHE HD% 1.0 . 3.95 119 94 A 7 ARG H A 3 PHE HD% 1.0 . 5.50 120 95 A 7 ARG H A 7 ARG HE 1.0 . 5.23 121 96 A 11 ARG HA A 11 ARG HDy 1.0 . 4.37 122 97 A 11 ARG HE A 11 ARG HBy 1.0 . 4.37 123 98 A 11 ARG HE A 11 ARG HBx 1.0 . 4.37 124 99 A 11 ARG HA A 11 ARG HE 1.0 . 4.84 125 100 A 11 ARG H A 11 ARG HE 1.0 . 4.79 126 101 A 3 PHE H A 4 ASP HBy 1.0 . 5.35 127 102 A 3 PHE H A 4 ASP HBx 1.0 . 5.50 128 103 A 4 ASP HBx A 7 ARG H 1.0 . 5.50 129 104 A 4 ASP HBy A 7 ARG H 1.0 . 5.50 130 105 A 4 ASP HBx A 6 ILE H 1.0 . 5.50 131 106 A 4 ASP HBy A 6 ILE H 1.0 . 5.50 132 107 A 7 ARG H A 4 ASP HA 1.0 . 3.96 133 108 A 5 LYS HA A 7 ARG H 1.0 . 4.75 134 109 A 6 ILE H A 3 PHE HA 1.0 . 3.81 135 110 A 8 GLN H A 4 ASP HA 1.0 . 4.83 136 111 A 6 ILE HA A 9 VAL H 1.0 . 4.35 137 112 A 7 ARG HA A 9 VAL H 1.0 . 5.01 138 113 A 6 ILE HA A 8 GLN H 1.0 . 4.49 139 114 A 7 ARG HA A 10 ILE H 1.0 . 4.46 140 115 A 5 LYS H A 6 ILE HA 1.0 . 5.45 141 116 A 11 ARG H A 7 ARG HA 1.0 . 5.23 142 117 A 7 ARG H A 8 GLN HBx 1.0 . 5.50 143 118 A 4 ASP HA A 7 ARG HDx 1.0 . 3.85 144 118 A 7 ARG HDy A 4 ASP HA 1.0 . 3.85 145 119 A 10 ILE HG1x A 10 ILE HG2% 1.0 . 3.32 146 120 A 10 ILE HG2% A 10 ILE HG1y 1.0 . 3.15 147 121 A 5 LYS H A 1 ARG HDx 1.0 . 5.50 148 121 A 1 ARG HDy A 5 LYS H 1.0 . 5.50 149 122 A 1 ARG HA A 1 ARG HDx 1.0 . 4.13 150 122 A 1 ARG HDy A 1 ARG HA 1.0 . 4.13 151 123 A 2 LEU HA A 3 PHE HA 1.0 . 4.89 152 124 A 10 ILE HA A 11 ARG HA 1.0 . 5.50 153 125 A 5 LYS HA A 4 ASP HA 1.0 . 5.50 154 126 A 7 ARG HA A 4 ASP HA 1.0 . 5.33 155 127 A 5 LYS HA A 6 ILE HA 1.0 . 5.37 156 128 A 7 ARG HA A 8 GLN HA 1.0 . 4.92 157 129 A 6 ILE HA A 7 ARG HA 1.0 . 5.49 158 130 A 6 ILE H A 7 ARG HA 1.0 . 5.50 159 131 A 9 VAL H A 10 ILE HA 1.0 . 5.09 160 132 A 10 ILE H A 8 GLN HA 1.0 . 4.47 161 133 A 12 LYS H A 10 ILE HA 1.0 . 4.47 162 134 A 11 ARG H A 11 ARG HDx 1.0 . 4.33 163 135 A 3 PHE HBx A 7 ARG H 1.0 . 5.50 164 136 A 8 GLN H A 7 ARG HDx 1.0 . 4.82 165 136 A 7 ARG HDy A 8 GLN H 1.0 . 4.82 166 137 A 4 ASP HBx A 8 GLN H 1.0 . 5.50 167 138 A 2 LEU HA A 6 ILE H 1.0 . 5.50 168 139 A 1 ARG HBy A 1 ARG HDx 1.0 . 3.42 169 139 A 1 ARG HDy A 1 ARG HBy 1.0 . 3.42 170 140 A 1 ARG HBx A 1 ARG HDx 1.0 . 3.38 171 140 A 1 ARG HDy A 1 ARG HBx 1.0 . 3.38 172 141 A 1 ARG HDy A 1 ARG HGx 1.0 . 2.85 173 141 A 1 ARG HDx A 1 ARG HGx 1.0 . 2.85 174 141 A 1 ARG HGy A 1 ARG HDx 1.0 . 2.85 175 141 A 1 ARG HDy A 1 ARG HGy 1.0 . 2.85 176 142 A 10 ILE HG2% A 7 ARG HDx 1.0 . 5.50 177 142 A 7 ARG HDy A 10 ILE HG2% 1.0 . 5.50 178 143 A 5 LYS HEy A 5 LYS HGx 1.0 . 3.11 179 143 A 5 LYS HEx A 5 LYS HGx 1.0 . 3.11 180 143 A 5 LYS HGy A 5 LYS HEx 1.0 . 3.11 181 143 A 5 LYS HEy A 5 LYS HGy 1.0 . 3.11 182 144 A 4 ASP HBy A 1 ARG HGx 1.0 . 5.34 183 144 A 1 ARG HGy A 4 ASP HBy 1.0 . 5.34 184 145 A 5 LYS HBx A 5 LYS HEx 1.0 . 4.13 185 145 A 5 LYS HBy A 5 LYS HEx 1.0 . 4.13 186 145 A 5 LYS HEy A 5 LYS HBx 1.0 . 4.13 187 145 A 5 LYS HEy A 5 LYS HBy 1.0 . 4.13 188 146 A 1 ARG HBx A 4 ASP HBy 1.0 . 4.12 189 147 A 11 ARG HDy A 11 ARG HBy 1.0 . 3.96 190 148 A 11 ARG HDy A 11 ARG HBx 1.0 . 3.96 191 149 A 7 ARG HBy A 7 ARG HDx 1.0 . 3.41 192 149 A 7 ARG HDy A 7 ARG HBy 1.0 . 3.41 193 150 A 7 ARG HBx A 7 ARG HDx 1.0 . 3.40 194 150 A 7 ARG HDy A 7 ARG HBx 1.0 . 3.40 195 151 A 2 LEU H A 3 PHE HD% 1.0 . 5.20 196 152 A 2 LEU H A 3 PHE HA 1.0 . 5.50 197 153 A 3 PHE HBx A 6 ILE H 1.0 . 5.50 198 154 A 6 ILE H A 7 ARG HDx 1.0 . 5.36 199 154 A 6 ILE H A 7 ARG HDy 1.0 . 5.36 200 155 A 2 LEU HA A 1 ARG HDx 1.0 . 5.22 201 155 A 2 LEU HA A 1 ARG HDy 1.0 . 5.22 202 156 A 9 VAL HA A 11 ARG HDx 1.0 . 4.72 203 157 A 11 ARG HDx A 8 GLN HA 1.0 . 4.60 204 158 A 4 ASP HBx A 5 LYS HA 1.0 . 5.18 205 159 A 2 LEU H A 3 PHE HBy 1.0 . 5.50 206 160 A 11 ARG H A 11 ARG HDy 1.0 . 4.90 207 161 A 12 LYS H A 11 ARG HDy 1.0 . 5.14 208 162 A 3 PHE HD% A 3 PHE HA 1.0 . 3.07 209 163 A 10 ILE H A 11 ARG HA 1.0 . 5.15 210 164 A 7 ARG HA A 7 ARG HE 1.0 . 5.49 211 165 A 2 LEU H A 3 PHE H 1.0 . 4.08 212 166 A 3 PHE H A 5 LYS H 1.0 . 5.07 213 167 A 12 LYS H A 7 ARG HA 1.0 . 5.50 214 168 A 7 ARG H A 10 ILE H 1.0 . 5.50 215 169 A 6 ILE H A 8 GLN H 1.0 . 4.86 216 170 A 12 LYS H A 10 ILE H 1.0 . 5.09 217 171 A 11 ARG H A 9 VAL H 1.0 . 4.66 218 172 A 12 LYS H A 11 ARG HE 1.0 . 5.50 219 173 A 6 ILE HA A 9 VAL HGx% 1.0 . 3.65 220 174 A 6 ILE HA A 9 VAL HGy% 1.0 . 4.13 221 175 A 6 ILE HA A 9 VAL HB 1.0 . 4.03 222 176 A 8 GLN HBy A 9 VAL HGy% 1.0 . 5.50 223 177 A 8 GLN HBx A 9 VAL HGy% 1.0 . 5.49 224 178 A 7 ARG HA A 9 VAL HGx% 1.0 . 5.42 225 179 A 4 ASP HBx A 5 LYS HDx 1.0 . 5.50 226 179 A 4 ASP HBx A 5 LYS HDy 1.0 . 5.50 227 180 A 4 ASP HBx A 5 LYS HGx 1.0 . 4.95 228 180 A 4 ASP HBx A 5 LYS HGy 1.0 . 4.95 229 181 A 4 ASP HBx A 1 ARG HGx 1.0 . 5.08 230 181 A 1 ARG HGy A 4 ASP HBx 1.0 . 5.08 231 182 A 4 ASP HBx A 5 LYS HBx 1.0 . 4.96 232 182 A 4 ASP HBx A 5 LYS HBy 1.0 . 4.96 233 183 A 1 ARG HBx A 4 ASP HBx 1.0 . 4.92 234 184 A 7 ARG HBx A 8 GLN HBy 1.0 . 5.50 235 185 A 7 ARG HBx A 8 GLN HBx 1.0 . 5.25 236 186 A 7 ARG HA A 9 VAL HB 1.0 . 5.50 237 187 A 1 ARG HBy A 4 ASP HBx 1.0 . 5.50 238 188 A 1 ARG HBy A 4 ASP HBy 1.0 . 5.50 239 189 A 1 ARG HBy A 5 LYS HEx 1.0 . 5.50 240 189 A 1 ARG HBy A 5 LYS HEy 1.0 . 5.50 241 190 A 7 ARG HA A 10 ILE HG1y 1.0 . 4.05 242 191 A 6 ILE HA A 10 ILE HG1y 1.0 . 5.50 243 192 A 6 ILE HA A 10 ILE HG1x 1.0 . 4.59 244 193 A 6 ILE HA A 7 ARG HDx 1.0 . 5.50 245 193 A 6 ILE HA A 7 ARG HDy 1.0 . 5.50 246 194 A 9 VAL HB A 10 ILE HG1y 1.0 . 5.34 247 195 A 1 ARG HBy A 5 LYS HDx 1.0 . 4.67 248 195 A 1 ARG HBy A 5 LYS HDy 1.0 . 4.67 249 196 A 1 ARG HBy A 5 LYS HGx 1.0 . 4.34 250 196 A 1 ARG HBy A 5 LYS HGy 1.0 . 4.34 251 197 A 1 ARG HBy A 5 LYS HBx 1.0 . 4.13 252 197 A 1 ARG HBy A 5 LYS HBy 1.0 . 4.13 253 198 A 10 ILE HG1x A 9 VAL HB 1.0 . 5.32 254 199 A 9 VAL HB A 11 ARG HGx 1.0 . 5.50 255 199 A 11 ARG HGy A 9 VAL HB 1.0 . 5.50 256 200 A 4 ASP HBx A 7 ARG HDx 1.0 . 5.50 257 200 A 4 ASP HBx A 7 ARG HDy 1.0 . 5.50 258 201 A 2 LEU HG A 1 ARG HDx 1.0 . 5.03 259 201 A 2 LEU HG A 1 ARG HDy 1.0 . 5.03 260 202 A 2 LEU HG A 3 PHE HBx 1.0 . 5.50 261 203 A 2 LEU HG A 3 PHE HBy 1.0 . 4.69 262 204 A 3 PHE HBx A 6 ILE HB 1.0 . 5.13 263 205 A 1 ARG HBx A 3 PHE HBy 1.0 . 4.99 264 206 A 4 ASP HBx A 1 ARG HDx 1.0 . 5.50 265 206 A 1 ARG HDy A 4 ASP HBx 1.0 . 5.50 266 207 A 4 ASP HBy A 1 ARG HDx 1.0 . 5.50 267 207 A 1 ARG HDy A 4 ASP HBy 1.0 . 5.50 268 208 A 9 VAL HGx% A 10 ILE HB 1.0 . 4.81 269 209 A 10 ILE HG1x A 9 VAL HGx% 1.0 . 4.67 270 210 A 6 ILE HB A 9 VAL HGx% 1.0 . 5.18 271 211 A 9 VAL HGx% A 11 ARG HGx 1.0 . 4.65 272 211 A 11 ARG HGy A 9 VAL HGx% 1.0 . 4.65 273 212 A 6 ILE HD1% A 6 ILE HB 1.0 . 3.27 274 213 A 10 ILE HD1% A 10 ILE HB 1.0 . 3.32 275 214 A 6 ILE HD1% A 1 ARG HBx 1.0 . 5.03 276 215 A 6 ILE HD1% A 9 VAL HB 1.0 . 5.50 277 216 A 6 ILE HD1% A 1 ARG HBy 1.0 . 5.50 278 217 A 10 ILE HG2% A 12 LYS HGx 1.0 . 3.71 279 217 A 10 ILE HG2% A 12 LYS HGy 1.0 . 3.71 280 218 A 10 ILE HG2% A 12 LYS HDx 1.0 . 4.66 281 218 A 12 LYS HDy A 10 ILE HG2% 1.0 . 4.66 282 219 A 1 ARG HBx A 1 ARG HA 1.0 . 2.99 283 220 A 2 LEU HA A 1 ARG HBx 1.0 . 4.61 284 221 A 7 ARG HA A 10 ILE HB 1.0 . 3.85 285 222 A 2 LEU HDy% A 3 PHE HD% 1.0 . 3.48 286 223 A 2 LEU HDx% A 3 PHE HD% 1.0 . 4.05 287 224 A 6 ILE HD1% A 3 PHE HD% 1.0 . 4.66 288 225 A 2 LEU HDy% A 4 ASP HBy 1.0 . 5.50 289 226 A 6 ILE HD1% A 5 LYS HEx 1.0 . 5.50 290 226 A 6 ILE HD1% A 5 LYS HEy 1.0 . 5.50 291 227 A 1 ARG HBx A 5 LYS HDx 1.0 . 4.35 292 227 A 1 ARG HBx A 5 LYS HDy 1.0 . 4.35 293 228 A 12 LYS HDy A 12 LYS HBy 1.0 . 3.37 294 228 A 12 LYS HBy A 12 LYS HDx 1.0 . 3.37 295 229 A 12 LYS HDy A 12 LYS HBx 1.0 . 3.37 296 229 A 12 LYS HBx A 12 LYS HDx 1.0 . 3.37 297 230 A 1 ARG HBx A 5 LYS HGx 1.0 . 3.47 298 230 A 1 ARG HBx A 5 LYS HGy 1.0 . 3.47 299 231 A 5 LYS HDx A 5 LYS HGx 1.0 . 2.66 300 231 A 5 LYS HDy A 5 LYS HGx 1.0 . 2.66 301 231 A 5 LYS HGy A 5 LYS HDx 1.0 . 2.66 302 231 A 5 LYS HGy A 5 LYS HDy 1.0 . 2.66 303 232 A 12 LYS HDx A 12 LYS HGx 1.0 . 2.86 304 232 A 12 LYS HGy A 12 LYS HDx 1.0 . 2.86 305 232 A 12 LYS HDy A 12 LYS HGy 1.0 . 2.86 306 232 A 12 LYS HDy A 12 LYS HGx 1.0 . 2.86 307 233 A 10 ILE HG2% A 11 ARG HDy 1.0 . 5.47 308 234 A 10 ILE HG2% A 11 ARG HA 1.0 . 4.66 309 235 A 7 ARG HA A 10 ILE HG2% 1.0 . 4.30 310 236 A 7 ARG HA A 10 ILE HD1% 1.0 . 3.67 311 237 A 6 ILE HD1% A 3 PHE HA 1.0 . 3.97 312 238 A 6 ILE HD1% A 5 LYS HA 1.0 . 4.48 313 239 A 2 LEU HDy% A 1 ARG HA 1.0 . 4.65 314 240 A 7 ARG HA A 10 ILE HA 1.0 . 5.28 315 241 A 2 LEU H A 4 ASP H 1.0 . 5.50 316 242 A 3 PHE H A 4 ASP H 1.0 . 3.58 317 243 A 7 ARG H A 9 VAL HGx% 1.0 . 5.38 318 244 A 7 ARG H A 10 ILE HG1y 1.0 . 5.50 319 245 A 7 ARG H A 8 GLN H 1.0 . 3.54 320 246 A 6 ILE H A 7 ARG H 1.0 . 3.72 321 247 A 1 ARG HBy A 5 LYS H 1.0 . 4.93 322 248 A 11 ARG H A 10 ILE HG1y 1.0 . 4.83 323 249 A 11 ARG H A 9 VAL HGx% 1.0 . 4.92 324 250 A 11 ARG H A 10 ILE H 1.0 . 3.61 325 251 A 4 ASP H A 3 PHE HD% 1.0 . 4.51 326 252 A 12 LYS H A 10 ILE HG1y 1.0 . 5.50 327 253 A 12 LYS H A 10 ILE HG2% 1.0 . 3.78 328 254 A 2 LEU HDy% A 4 ASP H 1.0 . 4.73 329 255 A 12 LYS H A 10 ILE HD1% 1.0 . 5.12 330 256 A 12 LYS H A 11 ARG HA 1.0 . 3.15 331 257 A 1 ARG HA A 4 ASP H 1.0 . 5.03 332 258 A 1 ARG HBx A 6 ILE H 1.0 . 4.94 333 259 A 9 VAL H A 10 ILE HG1y 1.0 . 5.00 334 260 A 10 ILE HG1x A 9 VAL H 1.0 . 4.51 335 261 A 9 VAL H A 11 ARG HGx 1.0 . 4.85 336 261 A 11 ARG HGy A 9 VAL H 1.0 . 4.85 337 262 A 9 VAL H A 10 ILE HB 1.0 . 5.03 338 263 A 7 ARG HBy A 9 VAL H 1.0 . 5.20 339 264 A 7 ARG HBx A 10 ILE H 1.0 . 5.10 340 265 A 2 LEU HA A 3 PHE HD% 1.0 . 5.50 341 266 A 7 ARG HBx A 7 ARG HE 1.0 . 5.01 342 267 A 7 ARG HBy A 7 ARG HE 1.0 . 4.07 343 268 A 2 LEU HDx% A 2 LEU HBx 1.0 . 2.80 344 268 A 2 LEU HDx% A 2 LEU HBy 1.0 . 2.80 345 269 A 8 GLN HBy A 11 ARG HGx 1.0 . 5.24 346 269 A 11 ARG HGy A 8 GLN HBy 1.0 . 5.24 347 270 A 2 LEU HG A 3 PHE HA 1.0 . 4.48 348 271 A 11 ARG HA A 12 LYS HDx 1.0 . 4.82 349 271 A 12 LYS HDy A 11 ARG HA 1.0 . 4.82 350 272 A 2 LEU HA A 5 LYS HBx 1.0 . 4.07 351 272 A 2 LEU HA A 5 LYS HBy 1.0 . 4.07 352 273 A 7 ARG HBy A 4 ASP HA 1.0 . 4.01 353 274 A 6 ILE HA A 7 ARG HBy 1.0 . 5.50 354 275 A 8 GLN H A 9 VAL HA 1.0 . 5.50 355 276 A 11 ARG H A 12 LYS HA 1.0 . 5.44 356 277 A 3 PHE HBx A 7 ARG HE 1.0 . 4.39 357 278 A 7 ARG HE A 4 ASP HA 1.0 . 5.02 358 279 A 9 VAL HGx% A 10 ILE HA 1.0 . 4.05 359 280 A 2 LEU HDy% A 2 LEU HA 1.0 . 4.00 360 281 A 2 LEU HDx% A 2 LEU HA 1.0 . 4.54 361 282 A 6 ILE HD1% A 2 LEU HA 1.0 . 4.74 362 283 A 8 GLN H A 9 VAL HB 1.0 . 4.78 363 284 A 2 LEU HA A 4 ASP H 1.0 . 5.50 364 285 A 6 ILE HA A 10 ILE H 1.0 . 5.14 365 286 A 3 PHE HA A 6 ILE HG1x 1.0 . 5.28 366 286 A 3 PHE HA A 6 ILE HG1y 1.0 . 5.28 367 287 A 5 LYS H A 6 ILE HG1x 1.0 . 5.34 368 287 A 5 LYS H A 6 ILE HG1y 1.0 . 5.34 369 288 A 5 LYS HA A 6 ILE HG1x 1.0 . 5.34 370 288 A 5 LYS HA A 6 ILE HG1y 1.0 . 5.34 371 289 A 6 ILE H A 6 ILE HG1x 1.0 . 3.34 372 289 A 6 ILE H A 6 ILE HG1y 1.0 . 3.34 373 290 A 6 ILE HA A 6 ILE HG1x 1.0 . 3.39 374 290 A 6 ILE HA A 6 ILE HG1y 1.0 . 3.39 375 291 A 6 ILE HA A 8 GLN HGx 1.0 . 4.43 376 291 A 6 ILE HA A 8 GLN HGy 1.0 . 4.43 377 292 A 7 ARG H A 6 ILE HG1x 1.0 . 4.68 378 292 A 7 ARG H A 6 ILE HG1y 1.0 . 4.68 379 293 A 6 ILE HD1% A 8 GLN HGx 1.0 . 5.34 380 293 A 6 ILE HD1% A 8 GLN HGy 1.0 . 5.34 381 294 A 7 ARG H A 7 ARG HGx 1.0 . 3.92 382 294 A 7 ARG H A 7 ARG HGy 1.0 . 3.92 383 295 A 7 ARG H A 8 GLN HGx 1.0 . 4.97 384 295 A 7 ARG H A 8 GLN HGy 1.0 . 4.97 385 296 A 7 ARG HA A 7 ARG HGx 1.0 . 3.24 386 296 A 7 ARG HA A 7 ARG HGy 1.0 . 3.24 387 297 A 7 ARG HA A 8 GLN HGx 1.0 . 5.34 388 297 A 7 ARG HA A 8 GLN HGy 1.0 . 5.34 389 298 A 7 ARG HBx A 7 ARG HGx 1.0 . 2.49 390 298 A 7 ARG HBx A 7 ARG HGy 1.0 . 2.49 391 299 A 7 ARG HE A 7 ARG HGx 1.0 . 3.28 392 299 A 7 ARG HE A 7 ARG HGy 1.0 . 3.28 393 300 A 8 GLN H A 8 GLN HGx 1.0 . 2.96 394 300 A 8 GLN H A 8 GLN HGy 1.0 . 2.96 395 301 A 9 VAL H A 8 GLN HGx 1.0 . 3.43 396 301 A 9 VAL H A 8 GLN HGy 1.0 . 3.43 397 302 A 9 VAL HA A 8 GLN HGx 1.0 . 3.81 398 302 A 9 VAL HA A 8 GLN HGy 1.0 . 3.81 399 303 A 9 VAL HGx% A 8 GLN HGx 1.0 . 4.72 400 303 A 9 VAL HGx% A 8 GLN HGy 1.0 . 4.72 401 304 A 9 VAL HGy% A 8 GLN HGx 1.0 . 3.68 402 304 A 9 VAL HGy% A 8 GLN HGy 1.0 . 3.68 403 305 A 10 ILE H A 8 GLN HGx 1.0 . 4.41 404 305 A 10 ILE H A 8 GLN HGy 1.0 . 4.41 405 306 A 11 ARG HDx A 8 GLN HGx 1.0 . 5.34 406 306 A 11 ARG HDx A 8 GLN HGy 1.0 . 5.34 407 307 A 10 ILE HG2% A 12 LYS HBx 1.0 . 3.79 408 307 A 10 ILE HG2% A 12 LYS HBy 1.0 . 3.79 409 308 A 11 ARG HDy A 11 ARG HBx 1.0 . 3.45 410 308 A 11 ARG HDy A 11 ARG HBy 1.0 . 3.45 411 309 A 11 ARG HE A 11 ARG HBx 1.0 . 3.62 412 309 A 11 ARG HE A 11 ARG HBy 1.0 . 3.62 413 310 A 12 LYS H A 12 LYS HBx 1.0 . 3.04 414 310 A 12 LYS H A 12 LYS HBy 1.0 . 3.04 415 311 A 12 LYS HBx A 12 LYS HDx 1.0 . 2.75 416 311 A 12 LYS HBy A 12 LYS HDx 1.0 . 2.75 417 311 A 12 LYS HDy A 12 LYS HBx 1.0 . 2.75 418 311 A 12 LYS HDy A 12 LYS HBy 1.0 . 2.75 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 7 ARG H A 3 PHE O 1.0 . 1.8 2 2 A 3 PHE O A 7 ARG N 1.0 . 2.7 3 3 A 6 ILE H A 3 PHE O 1.0 . 1.8 4 4 A 3 PHE O A 6 ILE N 1.0 . 2.7 5 5 A 9 VAL H A 6 ILE O 1.0 . 1.8 6 6 A 6 ILE O A 9 VAL N 1.0 . 2.7 7 7 A 10 ILE H A 6 ILE O 1.0 . 1.8 8 8 A 6 ILE O A 10 ILE N 1.0 . 2.7 9 9 A 7 ARG H A 3 PHE O 1.0 . 2.2 10 10 A 3 PHE O A 7 ARG N 1.0 . 3.2 11 11 A 6 ILE H A 3 PHE O 1.0 . 2.2 12 12 A 3 PHE O A 6 ILE N 1.0 . 3.2 13 13 A 9 VAL H A 6 ILE O 1.0 . 2.2 14 14 A 6 ILE O A 9 VAL N 1.0 . 3.2 15 15 A 10 ILE H A 6 ILE O 1.0 . 2.2 16 16 A 6 ILE O A 10 ILE N 1.0 . 3.2 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 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 ARG C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -96.6 -36.6 PHI 2 2 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 PHE N 1.0 -56.0 4.0 PSI 3 3 A 4 ASP C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -89.2 -49.2 PHI 4 4 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 ILE N 1.0 -53.3 -13.3 PSI 5 5 A 5 LYS C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -88.9 -48.9 PHI 6 6 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ARG N 1.0 -53.5 -13.5 PSI 7 7 A 6 ILE C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -87.2 -47.2 PHI 8 8 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 GLN N 1.0 -50.7 -10.7 PSI 9 9 A 7 ARG C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -93.1 -53.1 PHI 10 10 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 VAL N 1.0 -50.7 -10.7 PSI 11 11 A 8 GLN C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -94.2 -54.2 PHI 12 12 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 ILE N 1.0 -50.8 -10.8 PSI stop_ save_