data_nef_c25335_2mwl 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 PDB 2MWL 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 VAL start . . 2 A 2 ALA middle . . 3 A 3 ARG middle . . 4 A 4 GLY middle . false 5 A 5 TRP middle . . 6 A 6 LYS middle . . 7 A 7 ARG middle . . 8 A 8 LYS middle . . 9 A 9 CYS middle . . 10 A 10 PRO middle . false 11 A 11 LEU middle . . 12 A 12 PHE middle . . 13 A 13 GLY middle . false 14 A 14 LYS middle . . 15 A 15 GLY middle . false 16 A 16 GLY end . 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 VAL HB H 1 1.975 0.008 A 1 VAL HG1% H 1 0.976 0.035 A 1 VAL HG2% H 1 0.976 0.035 A 2 ALA H H 1 8.647 0.035 A 2 ALA HA H 1 4.393 0.002 A 2 ALA HB1 H 1 1.384 0.008 A 2 ALA HB2 H 1 1.384 0.008 A 2 ALA HB3 H 1 1.384 0.008 A 3 ARG H H 1 8.508 0.003 A 3 ARG HA H 1 4.278 0.011 A 3 ARG HBx H 1 1.760 0.005 A 3 ARG HBy H 1 1.760 0.005 A 3 ARG HGx H 1 1.612 0.002 A 3 ARG HGy H 1 1.612 0.002 A 3 ARG HDx H 1 3.168 +0.007 A 3 ARG HDy H 1 3.168 +0.007 A 4 GLY H H 1 8.473 0.007 A 4 GLY HAx H 1 3.944 0.919 A 4 GLY HAy H 1 3.944 0.919 A 5 TRP H H 1 8.035 0.006 A 5 TRP HA H 1 4.583 0.003 A 5 TRP HBx H 1 3.266 0.002 A 5 TRP HBy H 1 3.266 0.002 A 5 TRP HD1 H 1 7.250 0.010 A 5 TRP HZ2 H 1 7.558 0.002 A 5 TRP HH2 H 1 7.216 +0.001 A 6 LYS H H 1 8.112 0.002 A 6 LYS HA H 1 4.352 0.004 A 6 LYS HBx H 1 1.667 0.001 A 6 LYS HBy H 1 1.667 0.001 A 6 LYS HGx H 1 1.297 0.003 A 6 LYS HGy H 1 1.297 0.003 A 6 LYS HDx H 1 1.522 0.004 A 6 LYS HDy H 1 1.522 0.004 A 7 ARG H H 1 8.224 0.004 A 7 ARG HA H 1 4.287 0.005 A 7 ARG HBx H 1 1.760 0.003 A 7 ARG HBy H 1 1.760 0.003 A 7 ARG HGx H 1 1.580 0.001 A 7 ARG HGy H 1 1.580 0.001 A 7 ARG HDx H 1 3.141 0.003 A 7 ARG HDy H 1 3.141 0.003 A 8 LYS H H 1 8.035 0.004 A 8 LYS HA H 1 4.114 0.003 A 8 LYS HBx H 1 1.673 0.002 A 8 LYS HBy H 1 1.673 0.002 A 8 LYS HGx H 1 1.323 0.005 A 8 LYS HGy H 1 1.323 0.005 A 8 LYS HDx H 1 1.519 0.002 A 8 LYS HDy H 1 1.519 0.002 A 9 CYS H H 1 8.208 0.003 A 9 CYS HA H 1 4.515 0.004 A 9 CYS HB2 H 1 2.791 0.003 A 9 CYS HB3 H 1 2.688 0.004 A 10 PRO HB2 H 1 1.940 0.003 A 10 PRO HB3 H 1 2.177 0.001 A 10 PRO HGx H 1 1.847 0.002 A 10 PRO HGy H 1 1.847 0.002 A 10 PRO HDx H 1 3.725 0.005 A 10 PRO HDy H 1 3.725 0.005 A 11 LEU H H 1 8.111 0.002 A 11 LEU HA H 1 4.249 0.003 A 11 LEU HBx H 1 1.513 +0.002 A 11 LEU HBy H 1 1.513 +0.002 A 11 LEU HG H 1 1.429 0.003 A 11 LEU HDx% H 1 0.848 0.001 A 11 LEU HDy% H 1 0.848 0.001 A 12 PHE H H 1 8.136 0.002 A 12 PHE HA H 1 4.599 0.002 A 12 PHE HB2 H 1 3.163 0.002 A 12 PHE HB3 H 1 3.048 0.002 A 12 PHE HDx H 1 7.260 0.002 A 12 PHE HDy H 1 7.260 0.002 A 12 PHE HEx H 1 7.329 0.002 A 12 PHE HEy H 1 7.329 0.002 A 13 GLY H H 1 8.295 0.004 A 13 GLY HA2 H 1 3.931 0.002 A 13 GLY HA3 H 1 3.873 0.003 A 14 LYS H H 1 8.181 0.003 A 14 LYS HA H 1 4.355 0.002 A 14 LYS HBx H 1 1.879 0.001 A 14 LYS HBy H 1 1.879 0.001 A 14 LYS HGx H 1 1.435 0.002 A 14 LYS HGy H 1 1.435 0.002 A 14 LYS HDx H 1 1.766 0.002 A 14 LYS HDy H 1 1.766 0.002 A 15 GLY H H 1 8.472 0.003 A 15 GLY HAx H 1 3.947 0.002 A 15 GLY HAy H 1 3.947 0.002 A 16 GLY HAx H 1 3.757 0.002 A 16 GLY HAy H 1 3.757 0.002 A 17 GLY H H 1 7.904 0.003 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 VAL HA A 2 ALA H 1.0 . 3.5 2 2 A 2 ALA H A 1 VAL HG1% 1.0 . 4.0 3 2 A 2 ALA H A 1 VAL HG2% 1.0 . 4.0 4 3 A 2 ALA H A 2 ALA HB1 1.0 . 3.5 5 4 A 2 ALA HA A 3 ARG H 1.0 . 3.5 6 5 A 2 ALA HB1 A 3 ARG H 1.0 . 3.8 7 6 A 3 ARG H A 3 ARG HBx 1.0 . 3.5 8 6 A 3 ARG H A 3 ARG HBy 1.0 . 3.5 9 7 A 3 ARG H A 3 ARG HGx 1.0 . 4.0 10 7 A 3 ARG H A 3 ARG HGy 1.0 . 4.0 11 8 A 3 ARG H A 3 ARG HDx 1.0 . 4.0 12 8 A 3 ARG H A 3 ARG HDy 1.0 . 4.0 13 9 A 3 ARG HA A 4 GLY H 1.0 . 3.5 14 10 A 4 GLY H A 3 ARG HBx 1.0 . 3.5 15 10 A 3 ARG HBy A 4 GLY H 1.0 . 3.5 16 11 A 4 GLY H A 3 ARG HGx 1.0 . 4.5 17 11 A 3 ARG HGy A 4 GLY H 1.0 . 4.5 18 12 A 4 GLY H A 3 ARG HDx 1.0 . 4.5 19 12 A 3 ARG HDy A 4 GLY H 1.0 . 4.5 20 13 A 5 TRP H A 4 GLY HAx 1.0 . 3.5 21 13 A 4 GLY HAy A 5 TRP H 1.0 . 3.5 22 14 A 5 TRP H A 5 TRP HBx 1.0 . 3.8 23 15 A 5 TRP H A 5 TRP HBy 1.0 . 3.8 24 16 A 5 TRP HA A 6 LYS H 1.0 . 3.5 25 17 A 6 LYS H A 5 TRP HBx 1.0 . 3.8 26 17 A 6 LYS H A 5 TRP HBy 1.0 . 3.8 27 18 A 6 LYS H A 6 LYS HBx 1.0 . 3.8 28 18 A 6 LYS H A 6 LYS HBy 1.0 . 3.8 29 19 A 6 LYS H A 6 LYS HDx 1.0 . 3.8 30 19 A 6 LYS H A 6 LYS HDy 1.0 . 3.8 31 20 A 6 LYS H A 6 LYS HGx 1.0 . 4.0 32 20 A 6 LYS H A 6 LYS HGy 1.0 . 4.0 33 21 A 6 LYS HA A 7 ARG H 1.0 . 3.5 34 22 A 7 ARG H A 6 LYS HBx 1.0 . 3.8 35 22 A 6 LYS HBy A 7 ARG H 1.0 . 3.8 36 23 A 7 ARG H A 6 LYS HGx 1.0 . 4.2 37 23 A 6 LYS HGy A 7 ARG H 1.0 . 4.2 38 24 A 7 ARG H A 6 LYS HDx 1.0 . 4.2 39 24 A 6 LYS HDy A 7 ARG H 1.0 . 4.2 40 25 A 7 ARG H A 7 ARG HBx 1.0 . 3.5 41 25 A 7 ARG H A 7 ARG HBy 1.0 . 3.5 42 26 A 7 ARG H A 7 ARG HGx 1.0 . 4.0 43 26 A 7 ARG H A 7 ARG HGy 1.0 . 4.0 44 27 A 7 ARG H A 7 ARG HDx 1.0 . 4.0 45 27 A 7 ARG H A 7 ARG HDy 1.0 . 4.0 46 28 A 7 ARG HA A 8 LYS H 1.0 . 3.5 47 29 A 8 LYS H A 7 ARG HBx 1.0 . 4.5 48 29 A 7 ARG HBy A 8 LYS H 1.0 . 4.5 49 30 A 8 LYS H A 7 ARG HGx 1.0 . 4.5 50 30 A 7 ARG HGy A 8 LYS H 1.0 . 4.5 51 31 A 8 LYS H A 7 ARG HDx 1.0 . 4.8 52 31 A 7 ARG HDy A 8 LYS H 1.0 . 4.8 53 32 A 8 LYS H A 8 LYS HBx 1.0 . 3.8 54 32 A 8 LYS H A 8 LYS HBy 1.0 . 3.8 55 33 A 8 LYS H A 8 LYS HDx 1.0 . 3.8 56 33 A 8 LYS H A 8 LYS HDy 1.0 . 3.8 57 34 A 8 LYS H A 8 LYS HGx 1.0 . 3.8 58 34 A 8 LYS H A 8 LYS HGy 1.0 . 3.8 59 35 A 8 LYS HA A 9 CYS H 1.0 . 3.5 60 36 A 9 CYS H A 8 LYS HBx 1.0 . 4.0 61 36 A 8 LYS HBy A 9 CYS H 1.0 . 4.0 62 37 A 9 CYS H A 8 LYS HGx 1.0 . 4.5 63 37 A 8 LYS HGy A 9 CYS H 1.0 . 4.5 64 38 A 9 CYS H A 8 LYS HDx 1.0 . 4.5 65 38 A 8 LYS HDy A 9 CYS H 1.0 . 4.5 66 39 A 9 CYS H A 9 CYS HB2 1.0 . 3.8 67 40 A 9 CYS H A 9 CYS HB3 1.0 . 3.8 68 41 A 10 PRO HB2 A 11 LEU H 1.0 . 5.3 69 42 A 11 LEU H A 10 PRO HB3 1.0 . 5.3 70 43 A 11 LEU H A 10 PRO HGx 1.0 . 5.3 71 43 A 11 LEU H A 10 PRO HGy 1.0 . 5.3 72 44 A 11 LEU H A 11 LEU HBx 1.0 . 3.5 73 44 A 11 LEU H A 11 LEU HBy 1.0 . 3.5 74 45 A 11 LEU H A 11 LEU HDx% 1.0 . 3.8 75 45 A 11 LEU H A 11 LEU HDy% 1.0 . 3.8 76 46 A 11 LEU HA A 12 PHE H 1.0 . 3.5 77 47 A 12 PHE H A 11 LEU HBx 1.0 . 4.5 78 47 A 11 LEU HBy A 12 PHE H 1.0 . 4.5 79 48 A 12 PHE H A 11 LEU HDx% 1.0 . 4.9 80 48 A 11 LEU HDy% A 12 PHE H 1.0 . 4.9 81 49 A 12 PHE HA A 12 PHE HD% 1.0 . 4.0 82 50 A 12 PHE H A 12 PHE HB2 1.0 . 3.8 83 51 A 12 PHE H A 12 PHE HB3 1.0 . 3.8 84 52 A 12 PHE HD% A 12 PHE HB2 1.0 . 4.5 85 53 A 12 PHE HD% A 12 PHE HB3 1.0 . 4.5 86 54 A 12 PHE HE% A 12 PHE HB3 1.0 . 5.0 87 55 A 12 PHE HE% A 12 PHE HB2 1.0 . 5.0 88 56 A 12 PHE HA A 13 GLY H 1.0 . 3.5 89 57 A 13 GLY H A 12 PHE HB2 1.0 . 5.0 90 58 A 13 GLY H A 12 PHE HB3 1.0 . 5.0 91 59 A 13 GLY HA2 A 14 LYS H 1.0 . 3.5 92 60 A 14 LYS H A 13 GLY HA3 1.0 . 3.5 93 61 A 14 LYS H A 14 LYS HBx 1.0 . 3.8 94 61 A 14 LYS H A 14 LYS HBy 1.0 . 3.8 95 62 A 14 LYS H A 14 LYS HGx 1.0 . 4.0 96 62 A 14 LYS H A 14 LYS HGy 1.0 . 4.0 97 63 A 14 LYS H A 14 LYS HDx 1.0 . 4.0 98 63 A 14 LYS H A 14 LYS HDy 1.0 . 4.0 99 64 A 14 LYS HA A 15 GLY H 1.0 . 3.5 100 65 A 15 GLY H A 14 LYS HBx 1.0 . 4.0 101 65 A 14 LYS HBy A 15 GLY H 1.0 . 4.0 102 66 A 15 GLY H A 14 LYS HGx 1.0 . 4.5 103 66 A 14 LYS HGy A 15 GLY H 1.0 . 4.5 104 67 A 15 GLY H A 14 LYS HDx 1.0 . 4.8 105 67 A 14 LYS HDy A 15 GLY H 1.0 . 4.8 106 68 A 16 GLY H A 15 GLY HAx 1.0 . 3.5 107 68 A 15 GLY HAy A 16 GLY H 1.0 . 3.5 108 69 A 11 LEU H A 10 PRO HGx 1.0 . 4.0 109 69 A 11 LEU H A 10 PRO HGy 1.0 . 4.0 110 70 A 12 PHE H A 10 PRO HGx 1.0 . 4.0 111 70 A 10 PRO HGy A 12 PHE H 1.0 . 4.0 112 71 A 2 ALA H A 3 ARG H 1.0 . 3.5 113 72 A 3 ARG H A 4 GLY H 1.0 . 3.5 114 73 A 4 GLY H A 5 TRP H 1.0 . 3.5 115 74 A 5 TRP H A 6 LYS H 1.0 . 3.5 116 75 A 6 LYS H A 7 ARG H 1.0 . 3.5 117 76 A 7 ARG H A 8 LYS H 1.0 . 3.5 118 77 A 8 LYS H A 9 CYS H 1.0 . 3.5 119 78 A 11 LEU H A 12 PHE H 1.0 . 3.5 120 79 A 12 PHE H A 13 GLY H 1.0 . 3.5 121 80 A 13 GLY H A 14 LYS H 1.0 . 3.5 122 81 A 14 LYS H A 15 GLY H 1.0 . 3.5 123 82 A 15 GLY H A 16 GLY H 1.0 . 3.5 124 83 A 5 TRP H A 12 PHE HB3 1.0 . 5.0 125 83 A 5 TRP H A 12 PHE HB2 1.0 . 5.0 126 84 A 5 TRP HD1 A 12 PHE HB3 1.0 . 3.8 127 84 A 12 PHE HB2 A 5 TRP HD1 1.0 . 3.8 128 85 A 12 PHE HD% A 5 TRP HBx 1.0 . 3.5 129 85 A 5 TRP HBy A 12 PHE HD% 1.0 . 3.5 130 86 A 5 TRP HA A 11 LEU H 1.0 . 4.3 131 87 A 5 TRP HA A 12 PHE HE% 1.0 . 4.3 132 88 A 5 TRP HH2 A 11 LEU HDx% 1.0 . 3.5 133 88 A 11 LEU HDy% A 5 TRP HH2 1.0 . 3.5 134 89 A 5 TRP HD1 A 11 LEU HDx% 1.0 . 3.5 135 89 A 11 LEU HDy% A 5 TRP HD1 1.0 . 3.5 136 90 A 5 TRP HD1 A 1 VAL HG1% 1.0 . 3.5 137 90 A 1 VAL HG2% A 5 TRP HD1 1.0 . 3.5 138 91 A 5 TRP HH2 A 1 VAL HG1% 1.0 . 3.5 139 91 A 1 VAL HG2% A 5 TRP HH2 1.0 . 3.5 140 92 A 5 TRP HH2 A 11 LEU HBx 1.0 . 3.8 141 92 A 11 LEU HBy A 5 TRP HH2 1.0 . 3.8 142 93 A 2 ALA HB1 A 5 TRP HH2 1.0 . 3.5 143 94 A 6 LYS H A 9 CYS HA 1.0 . 3.5 144 95 A 12 PHE H A 10 PRO HGx 1.0 . 4.5 145 95 A 10 PRO HGy A 12 PHE H 1.0 . 4.5 146 96 A 12 PHE H A 5 TRP HBx 1.0 . 4.8 147 96 A 5 TRP HBy A 12 PHE H 1.0 . 4.8 148 97 A 14 LYS H A 11 LEU HDx% 1.0 . 4.8 149 97 A 11 LEU HDy% A 14 LYS H 1.0 . 4.8 150 98 A 11 LEU H A 14 LYS HA 1.0 . 5.3 151 99 A 7 ARG HA A 9 CYS H 1.0 . 4.0 152 100 A 5 TRP HZ2 A 10 PRO HGx 1.0 . 4.0 153 100 A 10 PRO HGy A 5 TRP HZ2 1.0 . 4.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 VAL C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -120.0 -30.0 PHI 2 2 A 2 ALA N A 2 ALA CA A 2 ALA C A 3 ARG N 1.0 -120.0 120.0 PSI 3 3 A 2 ALA C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -120.0 -30.0 PHI 4 4 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 GLY N 1.0 -120.0 120.0 PSI 5 5 A 3 ARG C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -120.0 -30.0 PHI 6 6 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 TRP N 1.0 -120.0 120.0 PSI 7 7 A 4 GLY C A 5 TRP N A 5 TRP CA A 5 TRP C 1.0 -120.0 -30.0 PHI 8 8 A 5 TRP N A 5 TRP CA A 5 TRP C A 6 LYS N 1.0 -120.0 120.0 PSI 9 9 A 5 TRP C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -120.0 -30.0 PHI 10 10 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ARG N 1.0 -120.0 120.0 PSI 11 11 A 6 LYS C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -120.0 -30.0 PHI 12 12 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 LYS N 1.0 -120.0 120.0 PSI 13 13 A 7 ARG C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -120.0 -30.0 PHI 14 14 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 CYS N 1.0 -120.0 120.0 PSI 15 15 A 8 LYS C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -120.0 -30.0 PHI 16 16 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 PRO N 1.0 -120.0 120.0 PSI 17 17 A 10 PRO C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -120.0 -30.0 PHI 18 18 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 PHE N 1.0 -120.0 120.0 PSI 19 19 A 11 LEU C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -120.0 -30.0 PHI 20 20 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 GLY N 1.0 -120.0 120.0 PSI 21 21 A 12 PHE C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 -120.0 -30.0 PHI 22 22 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 LYS N 1.0 -120.0 120.0 PSI 23 23 A 13 GLY C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -120.0 -30.0 PHI 24 24 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 GLY N 1.0 -120.0 120.0 PSI 25 25 A 14 LYS C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -120.0 -30.0 PHI 26 26 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 GLY N 1.0 -120.0 120.0 PSI stop_ save_