data_nef_c25409_2mxh 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 2MXH PDB 2MXG BMRB 25408 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 1.033 0.035 A 1 VAL HG2% H 1 1.033 0.035 A 2 ALA H H 1 8.345 0.035 A 2 ALA HA H 1 4.371 0.002 A 2 ALA HB% H 1 1.408 0.008 A 3 ARG H H 1 7.844 0.003 A 3 ARG HA H 1 4.201 0.011 A 3 ARG HBx H 1 1.696 0.005 A 3 ARG HBy H 1 1.696 0.005 A 3 ARG HDx H 1 3.092 +0.007 A 3 ARG HDy H 1 3.092 +0.007 A 3 ARG HGx H 1 1.573 0.002 A 3 ARG HGy H 1 1.573 0.002 A 4 GLY H H 1 8.022 0.007 A 4 GLY HAx H 1 3.908 0.919 A 4 GLY HAy H 1 3.908 0.919 A 5 TRP H H 1 7.627 0.006 A 5 TRP HA H 1 4.559 0.003 A 5 TRP HBx H 1 3.251 0.002 A 5 TRP HBy H 1 3.251 0.002 A 5 TRP HD1 H 1 7.234 0.010 A 5 TRP HZ3 H 1 7.205 0.002 A 6 LYS H H 1 7.828 0.002 A 6 LYS HA H 1 4.125 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 1.238 0.003 A 6 LYS HGy H 1 1.238 0.003 A 7 ARG H H 1 7.482 0.004 A 7 ARG HA H 1 4.166 0.005 A 7 ARG HBx H 1 1.719 0.003 A 7 ARG HBy H 1 1.719 0.003 A 7 ARG HGx H 1 1.531 0.001 A 7 ARG HGy H 1 1.531 0.001 A 8 LYS H H 1 7.903 0.004 A 8 LYS HA H 1 4.301 0.003 A 8 LYS HBx H 1 1.813 0.002 A 8 LYS HBy H 1 1.813 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 1.420 0.005 A 8 LYS HGy H 1 1.420 0.005 A 9 CYS H H 1 7.993 0.003 A 9 CYS HA H 1 4.821 0.004 A 9 CYS HB2 H 1 2.916 0.003 A 9 CYS HB3 H 1 2.916 0.003 A 10 PRO HB2 H 1 2.277 0.001 A 10 PRO HB3 H 1 1.919 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 7.566 0.002 A 11 LEU HA H 1 4.101 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 0.780 0.001 A 11 LEU HD2% H 1 0.780 0.001 A 11 LEU HG H 1 1.385 0.003 A 12 PHE H H 1 7.574 0.002 A 12 PHE HA H 1 4.659 0.002 A 12 PHE HB2 H 1 3.274 0.002 A 12 PHE HB3 H 1 2.998 0.002 A 12 PHE HD1 H 1 7.258 0.002 A 12 PHE HD2 H 1 7.258 0.002 A 13 GLY H H 1 8.073 0.004 A 13 GLY HA2 H 1 3.956 0.002 A 13 GLY HA3 H 1 3.956 0.002 A 14 LYS H H 1 7.928 0.003 A 14 LYS HA H 1 4.318 0.002 A 14 LYS HBx H 1 1.831 0.001 A 14 LYS HBy H 1 1.831 0.001 A 14 LYS HDx H 1 1.684 0.002 A 14 LYS HDy H 1 1.684 0.002 A 14 LYS HGx H 1 1.438 0.002 A 14 LYS HGy H 1 1.438 0.002 A 15 GLY H H 1 8.273 0.003 A 15 GLY HAx H 1 3.955 0.002 A 15 GLY HAy H 1 3.955 0.002 A 16 GLY H H 1 7.839 0.003 A 16 GLY HAx H 1 3.814 0.002 A 16 GLY HAy H 1 3.814 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 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 2 ALA HB% A 4 GLY H 1.0 . 4.5 8 7 A 3 ARG H A 3 ARG HBx 1.0 . 3.5 9 7 A 3 ARG H A 3 ARG HBy 1.0 . 3.5 10 8 A 3 ARG H A 3 ARG HGx 1.0 . 4.0 11 8 A 3 ARG H A 3 ARG HGy 1.0 . 4.0 12 9 A 3 ARG H A 3 ARG HDx 1.0 . 4.2 13 9 A 3 ARG H A 3 ARG HDy 1.0 . 4.2 14 10 A 4 GLY H A 3 ARG HA 1.0 . 3.5 15 11 A 4 GLY H A 3 ARG HBx 1.0 . 3.5 16 11 A 4 GLY H A 3 ARG HBy 1.0 . 3.5 17 12 A 4 GLY H A 3 ARG HGx 1.0 . 4.5 18 12 A 4 GLY H A 3 ARG HGy 1.0 . 4.5 19 13 A 4 GLY H A 3 ARG HDx 1.0 . 4.5 20 13 A 4 GLY H A 3 ARG HDy 1.0 . 4.5 21 14 A 5 TRP H A 4 GLY HAx 1.0 . 3.5 22 14 A 4 GLY HAy A 5 TRP H 1.0 . 3.5 23 15 A 5 TRP H A 5 TRP HBx 1.0 . 3.8 24 15 A 5 TRP H A 5 TRP HBy 1.0 . 3.8 25 16 A 5 TRP HA A 6 LYS H 1.0 . 3.5 26 17 A 6 LYS H A 5 TRP HBx 1.0 . 3.5 27 17 A 5 TRP HBy A 6 LYS H 1.0 . 3.5 28 18 A 5 TRP HE1 A 5 TRP HBx 1.0 . 4.5 29 18 A 5 TRP HBy A 5 TRP HE1 1.0 . 4.5 30 19 A 6 LYS H A 6 LYS HBx 1.0 . 3.8 31 19 A 6 LYS H A 6 LYS HBy 1.0 . 3.8 32 20 A 6 LYS H A 6 LYS HDx 1.0 . 3.8 33 20 A 6 LYS H A 6 LYS HDy 1.0 . 3.8 34 21 A 6 LYS H A 6 LYS HGx 1.0 . 4.0 35 21 A 6 LYS H A 6 LYS HGy 1.0 . 4.0 36 22 A 6 LYS HA A 7 ARG H 1.0 . 3.3 37 23 A 7 ARG H A 6 LYS HBx 1.0 . 3.5 38 23 A 6 LYS HBy A 7 ARG H 1.0 . 3.5 39 24 A 7 ARG H A 6 LYS HGx 1.0 . 4.2 40 24 A 6 LYS HGy A 7 ARG H 1.0 . 4.2 41 25 A 7 ARG H A 6 LYS HDx 1.0 . 4.5 42 25 A 6 LYS HDy A 7 ARG H 1.0 . 4.5 43 26 A 7 ARG H A 7 ARG HBx 1.0 . 3.5 44 26 A 7 ARG H A 7 ARG HBy 1.0 . 3.5 45 27 A 7 ARG H A 7 ARG HDx 1.0 . 3.8 46 27 A 7 ARG H A 7 ARG HDy 1.0 . 3.8 47 28 A 7 ARG H A 7 ARG HGx 1.0 . 3.8 48 28 A 7 ARG H A 7 ARG HGy 1.0 . 3.8 49 29 A 7 ARG HA A 8 LYS H 1.0 . 3.5 50 30 A 8 LYS H A 7 ARG HBx 1.0 . 3.5 51 30 A 7 ARG HBy A 8 LYS H 1.0 . 3.5 52 31 A 8 LYS H A 7 ARG HGx 1.0 . 3.7 53 31 A 7 ARG HGy A 8 LYS H 1.0 . 3.7 54 32 A 8 LYS H A 7 ARG HDx 1.0 . 4.0 55 32 A 7 ARG HDy A 8 LYS H 1.0 . 4.0 56 33 A 8 LYS H A 8 LYS HBx 1.0 . 3.8 57 33 A 8 LYS H A 8 LYS HBy 1.0 . 3.8 58 34 A 8 LYS H A 8 LYS HDx 1.0 . 3.8 59 34 A 8 LYS H A 8 LYS HDy 1.0 . 3.8 60 35 A 8 LYS H A 8 LYS HGx 1.0 . 3.8 61 35 A 8 LYS H A 8 LYS HGy 1.0 . 3.8 62 36 A 8 LYS HA A 9 CYS H 1.0 . 3.5 63 37 A 9 CYS H A 8 LYS HBx 1.0 . 3.5 64 37 A 8 LYS HBy A 9 CYS H 1.0 . 3.5 65 38 A 9 CYS H A 8 LYS HGx 1.0 . 3.8 66 38 A 8 LYS HGy A 9 CYS H 1.0 . 3.8 67 39 A 9 CYS H A 8 LYS HDx 1.0 . 4.0 68 39 A 8 LYS HDy A 9 CYS H 1.0 . 4.0 69 40 A 9 CYS H A 9 CYS HB2 1.0 . 3.8 70 40 A 9 CYS H A 9 CYS HB3 1.0 . 3.8 71 41 A 11 LEU H A 10 PRO HB2 1.0 . 5.3 72 41 A 10 PRO HB3 A 11 LEU H 1.0 . 5.3 73 42 A 11 LEU H A 10 PRO HGx 1.0 . 5.3 74 42 A 11 LEU H A 10 PRO HGy 1.0 . 5.3 75 43 A 11 LEU H A 11 LEU HBx 1.0 . 3.5 76 43 A 11 LEU H A 11 LEU HBy 1.0 . 3.5 77 44 A 11 LEU H A 11 LEU HG 1.0 . 3.8 78 45 A 11 LEU H A 11 LEU HD1% 1.0 . 3.8 79 45 A 11 LEU H A 11 LEU HD2% 1.0 . 3.8 80 46 A 11 LEU HA A 12 PHE H 1.0 . 3.5 81 47 A 12 PHE H A 11 LEU HBx 1.0 . 3.8 82 47 A 11 LEU HBy A 12 PHE H 1.0 . 3.8 83 48 A 11 LEU HG A 12 PHE H 1.0 . 3.9 84 49 A 12 PHE H A 11 LEU HD1% 1.0 . 4.1 85 49 A 11 LEU HD2% A 12 PHE H 1.0 . 4.1 86 50 A 12 PHE H A 12 PHE HB2 1.0 . 3.8 87 51 A 12 PHE H A 12 PHE HB3 1.0 . 3.8 88 52 A 12 PHE HA A 13 GLY H 1.0 . 3.3 89 53 A 13 GLY H A 12 PHE HB3 1.0 . 3.8 90 53 A 13 GLY H A 12 PHE HB2 1.0 . 3.8 91 54 A 14 LYS H A 13 GLY HA2 1.0 . 3.5 92 54 A 13 GLY HA3 A 14 LYS H 1.0 . 3.5 93 55 A 14 LYS H A 14 LYS HBx 1.0 . 3.8 94 55 A 14 LYS H A 14 LYS HBy 1.0 . 3.8 95 56 A 14 LYS H A 14 LYS HGx 1.0 . 4.0 96 56 A 14 LYS H A 14 LYS HGy 1.0 . 4.0 97 57 A 14 LYS H A 14 LYS HDx 1.0 . 4.0 98 57 A 14 LYS H A 14 LYS HDy 1.0 . 4.0 99 58 A 14 LYS HA A 15 GLY H 1.0 . 3.5 100 59 A 15 GLY H A 14 LYS HBx 1.0 . 3.5 101 59 A 14 LYS HBy A 15 GLY H 1.0 . 3.5 102 60 A 15 GLY H A 14 LYS HGx 1.0 . 3.8 103 60 A 14 LYS HGy A 15 GLY H 1.0 . 3.8 104 61 A 15 GLY H A 14 LYS HDx 1.0 . 4.0 105 61 A 14 LYS HDy A 15 GLY H 1.0 . 4.0 106 62 A 16 GLY H A 15 GLY HAx 1.0 . 3.5 107 62 A 15 GLY HAy A 16 GLY H 1.0 . 3.5 108 63 A 2 ALA H A 3 ARG H 1.0 . 3.5 109 64 A 3 ARG H A 4 GLY H 1.0 . 3.5 110 65 A 4 GLY H A 5 TRP H 1.0 . 3.5 111 66 A 5 TRP H A 6 LYS H 1.0 . 3.5 112 67 A 6 LYS H A 7 ARG H 1.0 . 3.5 113 68 A 7 ARG H A 8 LYS H 1.0 . 3.5 114 69 A 8 LYS H A 9 CYS H 1.0 . 3.5 115 70 A 11 LEU H A 12 PHE H 1.0 . 3.5 116 71 A 12 PHE H A 13 GLY H 1.0 . 3.5 117 72 A 13 GLY H A 14 LYS H 1.0 . 3.5 118 73 A 14 LYS H A 15 GLY H 1.0 . 3.5 119 74 A 15 GLY H A 16 GLY H 1.0 . 3.5 120 75 A 12 PHE H A 9 CYS HB2 1.0 . 4.5 121 75 A 9 CYS HB3 A 12 PHE H 1.0 . 4.5 122 76 A 12 PHE HD% A 9 CYS HB2 1.0 . 4.5 123 76 A 9 CYS HB3 A 12 PHE HD% 1.0 . 4.5 124 77 A 5 TRP HA A 9 CYS H 1.0 . 4.2 125 78 A 12 PHE H A 10 PRO HA 1.0 . 4.8 126 79 A 12 PHE H A 10 PRO HDx 1.0 . 4.5 127 79 A 12 PHE H A 10 PRO HDy 1.0 . 4.5 128 80 A 2 ALA HB% A 5 TRP H 1.0 . 4.2 129 81 A 5 TRP HD1 A 3 ARG HBx 1.0 . 4.8 130 81 A 3 ARG HBy A 5 TRP HD1 1.0 . 4.8 131 82 A 5 TRP HD1 A 3 ARG HGx 1.0 . 4.8 132 82 A 3 ARG HGy A 5 TRP HD1 1.0 . 4.8 133 83 A 11 LEU H A 9 CYS HB2 1.0 . 4.5 134 83 A 9 CYS HB3 A 11 LEU H 1.0 . 4.5 135 84 A 16 GLY H A 4 GLY HAx 1.0 . 4.0 136 84 A 4 GLY HAy A 16 GLY H 1.0 . 4.0 137 85 A 5 TRP HD1 A 12 PHE HB3 1.0 . 4.5 138 85 A 12 PHE HB2 A 5 TRP HD1 1.0 . 4.5 139 86 A 2 ALA HB% A 5 TRP HD1 1.0 . 4.5 140 87 A 2 ALA HB% A 13 GLY H 1.0 . 4.5 141 88 A 3 ARG HA A 5 TRP H 1.0 . 4.5 142 89 A 7 ARG H A 3 ARG HGx 1.0 . 4.5 143 89 A 3 ARG HGy A 7 ARG H 1.0 . 4.5 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 -90.0 -30.0 PHI 4 4 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 GLY N 1.0 -75.0 -15.0 PSI 5 5 A 3 ARG C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -90.0 -30.0 PHI 6 6 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 TRP N 1.0 -75.0 -15.0 PSI 7 7 A 4 GLY C A 5 TRP N A 5 TRP CA A 5 TRP C 1.0 -90.0 -30.0 PHI 8 8 A 5 TRP N A 5 TRP CA A 5 TRP C A 6 LYS N 1.0 -75.0 -15.0 PSI 9 9 A 5 TRP C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -90.0 -30.0 PHI 10 10 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ARG N 1.0 -75.0 -15.0 PSI 11 11 A 6 LYS C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -90.0 -30.0 PHI 12 12 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 LYS N 1.0 -75.0 -15.0 PSI 13 13 A 7 ARG C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -90.0 -30.0 PHI 14 14 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 CYS N 1.0 -75.0 -15.0 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_