data_nef_c25408_2mxg 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 2MXG PDB 2MXH BMRB 25409 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 1.032 0.035 A 1 VAL HG2% H 1 1.032 0.035 A 2 ALA H H 1 8.658 0.035 A 2 ALA HA H 1 4.387 0.002 A 2 ALA HB% H 1 1.406 0.008 A 3 ARG H H 1 8.368 0.003 A 3 ARG HA H 1 4.292 0.011 A 3 ARG HBx H 1 1.737 0.005 A 3 ARG HBy H 1 1.737 0.005 A 3 ARG HDx H 1 3.165 +0.007 A 3 ARG HDy H 1 3.165 +0.007 A 3 ARG HGx H 1 1.643 0.002 A 3 ARG HGy H 1 1.643 0.002 A 4 GLY H H 1 8.413 0.007 A 4 GLY HAx H 1 3.945 0.919 A 4 GLY HAy H 1 3.945 0.919 A 5 TRP H H 1 7.909 0.006 A 5 TRP HA H 1 3.283 0.003 A 5 TRP HBx H 1 3.275 0.002 A 5 TRP HBy H 1 3.275 0.002 A 5 TRP HD1 H 1 7.321 0.010 A 5 TRP HE3 H 1 7.530 0.002 A 6 LYS H H 1 7.972 0.002 A 6 LYS HA H 1 4.103 0.004 A 6 LYS HBx H 1 1.691 0.001 A 6 LYS HBy H 1 1.691 0.001 A 6 LYS HDx H 1 1.564 0.004 A 6 LYS HDy H 1 1.564 0.004 A 6 LYS HGx H 1 1.138 0.003 A 6 LYS HGy H 1 1.138 0.003 A 7 ARG H H 1 7.759 0.004 A 7 ARG HA H 1 4.229 0.005 A 7 ARG HBx H 1 1.769 0.003 A 7 ARG HBy H 1 1.769 0.003 A 7 ARG HGx H 1 1.580 0.001 A 7 ARG HGy H 1 1.580 0.001 A 8 LYS H H 1 8.145 0.004 A 8 LYS HA H 1 4.332 0.003 A 8 LYS HBx H 1 1.816 0.002 A 8 LYS HBy H 1 1.816 0.002 A 8 LYS HDx H 1 1.556 0.002 A 8 LYS HDy H 1 1.556 0.002 A 8 LYS HGx H 1 1.453 0.005 A 8 LYS HGy H 1 1.453 0.005 A 9 CYS H H 1 8.208 0.003 A 9 CYS HA H 1 4.821 0.004 A 9 CYS HB2 H 1 2.928 0.003 A 9 CYS HB3 H 1 2.928 0.003 A 10 PRO HB2 H 1 2.281 0.001 A 10 PRO HB3 H 1 1.982 0.003 A 10 PRO HGx H 1 1.887 0.002 A 10 PRO HGy H 1 1.887 0.002 A 11 LEU H H 1 7.840 0.002 A 11 LEU HA H 1 4.190 0.003 A 11 LEU HBx H 1 1.446 +0.002 A 11 LEU HBy H 1 1.446 +0.002 A 11 LEU HD1% H 1 0.848 0.001 A 11 LEU HD2% H 1 0.848 0.001 A 11 LEU HG H 1 1.343 0.003 A 12 PHE H H 1 7.871 0.002 A 12 PHE HA H 1 4.671 0.002 A 12 PHE HB2 H 1 3.267 0.002 A 12 PHE HB3 H 1 3.031 0.002 A 12 PHE HD1 H 1 7.295 0.002 A 12 PHE HD2 H 1 7.295 0.002 A 13 GLY H H 1 8.188 0.004 A 13 GLY HA2 H 1 3.977 0.002 A 13 GLY HA3 H 1 3.977 0.002 A 14 LYS H H 1 8.190 0.003 A 14 LYS HA H 1 4.395 0.002 A 14 LYS HBx H 1 1.903 0.001 A 14 LYS HBy H 1 1.903 0.001 A 14 LYS HDx H 1 1.793 0.002 A 14 LYS HDy H 1 1.793 0.002 A 14 LYS HGx H 1 1.453 0.002 A 14 LYS HGy H 1 1.453 0.002 A 15 GLY H H 1 8.472 0.003 A 15 GLY HAx H 1 3.958 0.002 A 15 GLY HAy H 1 3.958 0.002 A 16 GLY H H 1 7.904 0.003 A 16 GLY HAx H 1 3.757 0.002 A 16 GLY HAy H 1 3.757 0.002 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 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 . 3.3 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 HB% 1.0 . 3.5 5 4 A 2 ALA HA A 3 ARG H 1.0 . 3.3 6 5 A 2 ALA HB% 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 . 4.5 12 8 A 3 ARG H A 3 ARG HDy 1.0 . 4.5 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 . 5.0 19 12 A 3 ARG HDy A 4 GLY H 1.0 . 5.0 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 14 A 5 TRP H A 5 TRP HBy 1.0 . 3.8 24 15 A 5 TRP HA A 5 TRP HE3 1.0 . 4.3 25 16 A 5 TRP HA A 5 TRP HD1 1.0 . 4.0 26 17 A 5 TRP HE3 A 5 TRP HBx 1.0 . 3.5 27 17 A 5 TRP HBy A 5 TRP HE3 1.0 . 3.5 28 18 A 5 TRP HD1 A 5 TRP HBx 1.0 . 3.2 29 18 A 5 TRP HBy A 5 TRP HD1 1.0 . 3.2 30 19 A 5 TRP HA A 6 LYS H 1.0 . 3.5 31 20 A 6 LYS H A 5 TRP HBx 1.0 . 3.5 32 20 A 5 TRP HBy A 6 LYS H 1.0 . 3.5 33 21 A 6 LYS H A 6 LYS HBx 1.0 . 3.8 34 21 A 6 LYS H A 6 LYS HBy 1.0 . 3.8 35 22 A 6 LYS H A 6 LYS HDx 1.0 . 3.8 36 22 A 6 LYS H A 6 LYS HDy 1.0 . 3.8 37 23 A 6 LYS H A 6 LYS HGx 1.0 . 4.0 38 23 A 6 LYS H A 6 LYS HGy 1.0 . 4.0 39 24 A 6 LYS HA A 7 ARG H 1.0 . 3.3 40 25 A 7 ARG H A 6 LYS HBx 1.0 . 4.5 41 25 A 6 LYS HBy A 7 ARG H 1.0 . 4.5 42 26 A 7 ARG H A 6 LYS HGx 1.0 . 4.5 43 26 A 6 LYS HGy A 7 ARG H 1.0 . 4.5 44 27 A 7 ARG H A 6 LYS HDx 1.0 . 4.5 45 27 A 6 LYS HDy A 7 ARG H 1.0 . 4.5 46 28 A 7 ARG H A 7 ARG HBx 1.0 . 3.5 47 28 A 7 ARG H A 7 ARG HBy 1.0 . 3.5 48 29 A 7 ARG H A 7 ARG HDx 1.0 . 3.8 49 29 A 7 ARG H A 7 ARG HDy 1.0 . 3.8 50 30 A 7 ARG H A 7 ARG HGx 1.0 . 3.8 51 30 A 7 ARG H A 7 ARG HGy 1.0 . 3.8 52 31 A 7 ARG HA A 8 LYS H 1.0 . 3.5 53 32 A 8 LYS H A 7 ARG HBx 1.0 . 4.5 54 32 A 7 ARG HBy A 8 LYS H 1.0 . 4.5 55 33 A 8 LYS H A 7 ARG HGx 1.0 . 4.5 56 33 A 7 ARG HGy A 8 LYS H 1.0 . 4.5 57 34 A 8 LYS H A 7 ARG HDx 1.0 . 4.5 58 34 A 7 ARG HDy A 8 LYS H 1.0 . 4.5 59 35 A 8 LYS H A 8 LYS HBx 1.0 . 3.8 60 35 A 8 LYS H A 8 LYS HBy 1.0 . 3.8 61 36 A 8 LYS H A 8 LYS HDx 1.0 . 3.8 62 36 A 8 LYS H A 8 LYS HDy 1.0 . 3.8 63 37 A 8 LYS H A 8 LYS HGx 1.0 . 3.8 64 37 A 8 LYS H A 8 LYS HGy 1.0 . 3.8 65 38 A 8 LYS HA A 9 CYS H 1.0 . 3.5 66 39 A 9 CYS H A 8 LYS HBx 1.0 . 4.5 67 39 A 8 LYS HBy A 9 CYS H 1.0 . 4.5 68 40 A 9 CYS H A 8 LYS HGx 1.0 . 4.5 69 40 A 8 LYS HGy A 9 CYS H 1.0 . 4.5 70 41 A 9 CYS H A 8 LYS HDx 1.0 . 4.4 71 41 A 8 LYS HDy A 9 CYS H 1.0 . 4.4 72 42 A 9 CYS H A 9 CYS HB2 1.0 . 3.8 73 42 A 9 CYS H A 9 CYS HB3 1.0 . 3.8 74 43 A 10 PRO HA A 11 LEU H 1.0 . 3.5 75 44 A 11 LEU H A 10 PRO HB2 1.0 . 5.3 76 44 A 11 LEU H A 10 PRO HB3 1.0 . 5.3 77 45 A 11 LEU H A 10 PRO HGx 1.0 . 5.3 78 45 A 11 LEU H A 10 PRO HGy 1.0 . 5.3 79 46 A 11 LEU H A 11 LEU HBx 1.0 . 3.5 80 46 A 11 LEU H A 11 LEU HBy 1.0 . 3.5 81 47 A 11 LEU H A 11 LEU HG 1.0 . 3.8 82 48 A 11 LEU H A 11 LEU HD1% 1.0 . 3.8 83 48 A 11 LEU H A 11 LEU HD2% 1.0 . 3.8 84 49 A 11 LEU HA A 12 PHE H 1.0 . 3.5 85 50 A 12 PHE HD% A 11 LEU HBx 1.0 . 4.5 86 50 A 11 LEU HBy A 12 PHE HD% 1.0 . 4.5 87 51 A 12 PHE HD% A 11 LEU HD1% 1.0 . 4.5 88 51 A 11 LEU HD2% A 12 PHE HD% 1.0 . 4.5 89 52 A 12 PHE H A 12 PHE HB2 1.0 . 3.8 90 52 A 12 PHE H A 12 PHE HB3 1.0 . 3.8 91 53 A 12 PHE HD% A 12 PHE HB2 1.0 . 3.8 92 53 A 12 PHE HD% A 12 PHE HB3 1.0 . 3.8 93 54 A 12 PHE HA A 13 GLY H 1.0 . 3.3 94 55 A 13 GLY H A 12 PHE HB2 1.0 . 3.8 95 55 A 12 PHE HB3 A 13 GLY H 1.0 . 3.8 96 56 A 14 LYS H A 13 GLY HA2 1.0 . 3.5 97 56 A 13 GLY HA3 A 14 LYS H 1.0 . 3.5 98 57 A 14 LYS H A 14 LYS HBx 1.0 . 3.8 99 57 A 14 LYS H A 14 LYS HBy 1.0 . 3.8 100 58 A 14 LYS H A 14 LYS HGx 1.0 . 4.0 101 58 A 14 LYS H A 14 LYS HGy 1.0 . 4.0 102 59 A 14 LYS H A 14 LYS HDx 1.0 . 4.0 103 59 A 14 LYS H A 14 LYS HDy 1.0 . 4.0 104 60 A 14 LYS HA A 15 GLY H 1.0 . 3.5 105 61 A 15 GLY H A 14 LYS HBx 1.0 . 4.0 106 61 A 14 LYS HBy A 15 GLY H 1.0 . 4.0 107 62 A 15 GLY H A 14 LYS HGx 1.0 . 4.5 108 62 A 14 LYS HGy A 15 GLY H 1.0 . 4.5 109 63 A 15 GLY H A 14 LYS HDx 1.0 . 4.5 110 63 A 14 LYS HDy A 15 GLY H 1.0 . 4.5 111 64 A 16 GLY H A 15 GLY HAx 1.0 . 3.5 112 64 A 15 GLY HAy A 16 GLY H 1.0 . 3.5 113 65 A 2 ALA H A 3 ARG H 1.0 . 4.2 114 66 A 3 ARG H A 4 GLY H 1.0 . 4.2 115 67 A 4 GLY H A 5 TRP H 1.0 . 4.2 116 68 A 5 TRP H A 6 LYS H 1.0 . 3.5 117 69 A 6 LYS H A 7 ARG H 1.0 . 3.5 118 70 A 7 ARG H A 8 LYS H 1.0 . 3.5 119 71 A 8 LYS H A 9 CYS H 1.0 . 3.5 120 72 A 11 LEU H A 12 PHE H 1.0 . 4.1 121 73 A 12 PHE H A 13 GLY H 1.0 . 4.2 122 74 A 13 GLY H A 14 LYS H 1.0 . 3.5 123 75 A 14 LYS H A 15 GLY H 1.0 . 4.5 124 76 A 15 GLY H A 16 GLY H 1.0 . 3.5 125 77 A 12 PHE HD% A 9 CYS HB2 1.0 . 4.4 126 77 A 9 CYS HB3 A 12 PHE HD% 1.0 . 4.4 127 78 A 5 TRP HH2 A 11 LEU HD1% 1.0 . 4.4 128 78 A 11 LEU HD2% A 5 TRP HH2 1.0 . 4.4 129 79 A 5 TRP HH2 A 11 LEU HD1% 1.0 . 4.4 130 79 A 11 LEU HD2% A 5 TRP HH2 1.0 . 4.4 131 80 A 12 PHE HD% A 5 TRP HBx 1.0 . 4.5 132 80 A 5 TRP HBy A 12 PHE HD% 1.0 . 4.5 133 81 A 5 TRP HH2 A 9 CYS HB2 1.0 . 4.4 134 81 A 9 CYS HB3 A 5 TRP HH2 1.0 . 4.4 135 82 A 6 LYS H A 4 GLY HAx 1.0 . 4.2 136 82 A 4 GLY HAy A 6 LYS H 1.0 . 4.2 137 83 A 7 ARG HA A 9 CYS H 1.0 . 4.2 138 84 A 12 PHE H A 5 TRP HBx 1.0 . 3.9 139 84 A 5 TRP HBy A 12 PHE H 1.0 . 3.9 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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_