data_nef_c25190_2mtx 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 2MTX BMRB 25189 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 20 HIS C 1 21 NH2 N 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 MET start . . 2 A 2 ILE middle . . 3 A 3 LYS middle . . 4 A 4 SER middle . . 5 A 5 ALA middle . . 6 A 6 PHE middle . . 7 A 7 LEU middle . . 8 A 8 PRO middle . false 9 A 9 THR middle . . 10 A 10 GLY middle . false 11 A 11 ALA middle . . 12 A 12 PHE middle . . 13 A 13 LYS middle . . 14 A 14 ALA middle . . 15 A 15 ASP middle . . 16 A 16 ARG middle . . 17 A 17 TYR middle . . 18 A 18 LYS middle . . 19 A 19 SER middle . . 20 A 20 HIS middle . . 21 A 21 NH2 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 MET H1 H 1 8.420 0.02 A 1 MET HA H 1 4.040 0.02 A 1 MET HB2 H 1 2.040 0.02 A 1 MET HB3 H 1 2.040 0.02 A 1 MET HG2 H 1 2.460 0.02 A 1 MET HG3 H 1 2.460 0.02 A 2 ILE H H 1 8.460 0.02 A 2 ILE HA H 1 4.120 0.02 A 2 ILE HB H 1 1.740 0.02 A 2 ILE HD1% H 1 0.760 0.02 A 2 ILE HG12 H 1 1.390 0.02 A 2 ILE HG13 H 1 1.390 0.02 A 2 ILE HG2% H 1 0.810 0.02 A 3 LYS H H 1 8.360 0.02 A 3 LYS HA H 1 4.220 0.02 A 3 LYS HBy H 1 1.730 0.02 A 3 LYS HBx H 1 1.630 0.02 A 3 LYS HD2 H 1 1.580 0.02 A 3 LYS HD3 H 1 1.580 0.02 A 3 LYS HE2 H 1 2.880 0.02 A 3 LYS HE3 H 1 2.880 0.02 A 3 LYS HG2 H 1 1.320 0.02 A 3 LYS HG3 H 1 1.320 0.02 A 4 SER H H 1 8.100 0.02 A 4 SER HA H 1 4.270 0.02 A 4 SER HBy H 1 3.730 0.02 A 4 SER HBx H 1 3.650 0.02 A 5 ALA H H 1 8.180 0.02 A 5 ALA HA H 1 4.160 0.02 A 5 ALA HB% H 1 1.140 0.02 A 6 PHE H H 1 7.920 0.02 A 6 PHE HA H 1 4.500 0.02 A 6 PHE HBy H 1 2.990 0.02 A 6 PHE HBx H 1 2.860 0.02 A 6 PHE HE1 H 1 7.110 0.02 A 6 PHE HE2 H 1 7.110 0.02 A 7 LEU H H 1 7.830 0.02 A 7 LEU HA H 1 4.510 0.02 A 7 LEU HB2 H 1 1.460 0.02 A 7 LEU HB3 H 1 1.460 0.02 A 7 LEU HD1% H 1 0.780 0.02 A 7 LEU HD2% H 1 0.780 0.02 A 7 LEU HG H 1 1.370 0.02 A 8 PRO HA H 1 4.340 0.02 A 8 PRO HBy H 1 2.170 0.02 A 8 PRO HBx H 1 1.880 0.02 A 8 PRO HDy H 1 3.600 0.02 A 8 PRO HDx H 1 3.460 0.02 A 9 THR H H 1 7.960 0.02 A 9 THR HA H 1 4.140 0.02 A 9 THR HG2% H 1 1.260 0.02 A 10 GLY H H 1 8.300 0.02 A 10 GLY HA2 H 1 3.820 0.02 A 10 GLY HA3 H 1 3.820 0.02 A 11 ALA H H 1 7.940 0.02 A 11 ALA HA H 1 4.110 0.02 A 11 ALA HB% H 1 1.170 0.02 A 12 PHE H H 1 7.950 0.02 A 12 PHE HA H 1 4.410 0.02 A 12 PHE HB2 H 1 2.950 0.02 A 12 PHE HB3 H 1 2.950 0.02 A 12 PHE HE1 H 1 7.120 0.02 A 12 PHE HE2 H 1 7.120 0.02 A 13 LYS H H 1 7.910 0.02 A 13 LYS HA H 1 4.040 0.02 A 13 LYS HBy H 1 1.670 0.02 A 13 LYS HBx H 1 1.590 0.02 A 13 LYS HD2 H 1 1.550 0.02 A 13 LYS HD3 H 1 1.550 0.02 A 13 LYS HE2 H 1 2.860 0.02 A 13 LYS HE3 H 1 2.860 0.02 A 13 LYS HG2 H 1 1.250 0.02 A 13 LYS HG3 H 1 1.250 0.02 A 14 ALA H H 1 7.800 0.02 A 14 ALA HA H 1 4.090 0.02 A 14 ALA HB% H 1 1.280 0.02 A 15 ASP H H 1 8.150 0.02 A 15 ASP HA H 1 4.500 0.02 A 15 ASP HB2 H 1 2.720 0.02 A 15 ASP HB3 H 1 2.720 0.02 A 16 ARG H H 1 7.960 0.02 A 16 ARG HA H 1 4.050 0.02 A 16 ARG HB2 H 1 1.760 0.02 A 16 ARG HB3 H 1 1.760 0.02 A 16 ARG HD2 H 1 2.950 0.02 A 16 ARG HD3 H 1 2.950 0.02 A 16 ARG HGy H 1 1.540 0.02 A 16 ARG HGx H 1 1.260 0.02 A 16 ARG HH11 H 1 6.980 0.02 A 16 ARG HH12 H 1 6.980 0.02 A 16 ARG HH21 H 1 6.980 0.02 A 16 ARG HH22 H 1 6.980 0.02 A 17 TYR H H 1 7.860 0.02 A 17 TYR HA H 1 4.140 0.02 A 17 TYR HBy H 1 3.000 0.02 A 17 TYR HBx H 1 2.810 0.02 A 17 TYR HD1 H 1 7.020 0.02 A 17 TYR HD2 H 1 7.020 0.02 A 17 TYR HE1 H 1 6.690 0.02 A 17 TYR HE2 H 1 6.690 0.02 A 18 LYS H H 1 7.230 0.02 A 18 LYS HA H 1 4.160 0.02 A 18 LYS HBy H 1 1.700 0.02 A 18 LYS HBx H 1 1.610 0.02 A 18 LYS HD2 H 1 1.560 0.02 A 18 LYS HD3 H 1 1.560 0.02 A 18 LYS HE2 H 1 2.870 0.02 A 18 LYS HE3 H 1 2.870 0.02 A 18 LYS HG2 H 1 1.260 0.02 A 18 LYS HG3 H 1 1.260 0.02 A 19 SER H H 1 8.080 0.02 A 19 SER HA H 1 4.230 0.02 A 19 SER HBy H 1 3.770 0.02 A 19 SER HBx H 1 3.700 0.02 A 20 HIS H H 1 8.360 0.02 A 20 HIS HA H 1 4.570 0.02 A 20 HIS HBy H 1 3.200 0.02 A 20 HIS HBx H 1 3.060 0.02 stop_ save_ save_Discover_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 9 THR H A 8 PRO HA 1.0 1.8 2.8 2 2 A 13 LYS H A 12 PHE HA 1.0 1.8 2.8 3 3 A 12 PHE HA A 12 PHE H 1.0 1.8 2.8 4 4 A 16 ARG H A 15 ASP HA 1.0 1.8 2.8 5 5 A 17 TYR H A 17 TYR HA 1.0 1.8 2.8 6 6 A 17 TYR HA A 18 LYS H 1.0 1.8 2.8 7 7 A 15 ASP HA A 17 TYR H 1.0 2.8 3.5 8 8 A 7 LEU H A 6 PHE HA 1.0 1.8 2.8 9 9 A 6 PHE HA A 6 PHE H 1.0 1.8 2.8 10 10 A 15 ASP HA A 15 ASP H 1.0 1.8 2.8 11 11 A 2 ILE H A 1 MET HA 1.0 1.8 2.8 12 12 A 2 ILE H A 2 ILE HA 1.0 2.8 3.5 13 13 A 2 ILE HA A 3 LYS H 1.0 1.8 2.8 14 14 A 20 HIS H A 19 SER HA 1.0 1.8 2.8 15 15 A 10 GLY H A 9 THR HA 1.0 1.8 2.8 16 16 A 15 ASP H A 14 ALA HA 1.0 2.8 3.5 17 17 A 5 ALA H A 5 ALA HA 1.0 1.8 2.8 18 18 A 5 ALA H A 4 SER HA 1.0 1.8 2.8 19 19 A 19 SER H A 18 LYS HA 1.0 1.8 2.8 20 20 A 4 SER H A 3 LYS HA 1.0 1.8 2.8 21 21 A 18 LYS H A 18 LYS HA 1.0 1.8 2.8 22 22 A 17 TYR H A 16 ARG HA 1.0 1.8 2.8 23 23 A 16 ARG H A 16 ARG HA 1.0 1.8 2.8 24 24 A 11 ALA H A 11 ALA HA 1.0 1.8 2.8 25 25 A 13 LYS H A 13 LYS HA 1.0 1.8 2.8 26 26 A 9 THR H A 9 THR HA 1.0 1.8 2.8 27 27 A 6 PHE H A 5 ALA HA 1.0 1.8 2.8 28 28 A 13 LYS HA A 14 ALA H 1.0 1.8 2.8 29 29 A 20 HIS H A 20 HIS HA 1.0 2.8 3.5 30 30 A 10 GLY H A 10 GLY HA2 1.0 1.8 3.8 31 30 A 10 GLY H A 10 GLY HA3 1.0 1.8 3.8 32 31 A 11 ALA H A 10 GLY HA2 1.0 1.8 3.8 33 31 A 11 ALA H A 10 GLY HA3 1.0 1.8 3.8 34 32 A 15 ASP H A 15 ASP HB2 1.0 1.8 3.8 35 32 A 15 ASP H A 15 ASP HB3 1.0 1.8 3.8 36 33 A 16 ARG H A 15 ASP HB2 1.0 2.8 4.5 37 33 A 16 ARG H A 15 ASP HB3 1.0 2.8 4.5 38 34 A 6 PHE H A 6 PHE HBx 1.0 1.8 2.8 39 35 A 17 TYR H A 17 TYR HBx 1.0 1.8 2.8 40 36 A 17 TYR H A 17 TYR HBy 1.0 1.8 2.8 41 37 A 16 ARG H A 16 ARG HD2 1.0 2.8 4.5 42 37 A 16 ARG H A 16 ARG HD3 1.0 2.8 4.5 43 38 A 6 PHE H A 6 PHE HBy 1.0 1.8 2.8 44 39 A 12 PHE H A 12 PHE HB3 1.0 1.8 2.8 45 40 A 6 PHE HBx A 6 PHE HD% 1.0 1.8 4.8 46 41 A 6 PHE HBy A 6 PHE HD% 1.0 1.8 4.8 47 42 A 17 TYR HBx A 17 TYR HD% 1.0 1.8 4.8 48 43 A 17 TYR HBy A 17 TYR HD% 1.0 1.8 4.8 49 44 A 12 PHE H A 12 PHE HB2 1.0 2.8 3.5 50 45 A 3 LYS H A 3 LYS HBx 1.0 1.8 2.8 51 46 A 3 LYS H A 3 LYS HBy 1.0 1.8 2.8 52 47 A 2 ILE H A 2 ILE HB 1.0 1.8 2.8 53 48 A 5 ALA H A 5 ALA HB% 1.0 1.8 3.8 54 49 A 11 ALA H A 11 ALA HB% 1.0 1.8 3.8 55 50 A 14 ALA H A 14 ALA HB% 1.0 1.8 3.8 56 51 A 13 LYS H A 13 LYS HG2 1.0 3.5 6.0 57 51 A 13 LYS H A 13 LYS HG3 1.0 3.5 6.0 58 52 A 18 LYS H A 18 LYS HG2 1.0 3.5 6.0 59 52 A 18 LYS H A 18 LYS HG3 1.0 3.5 6.0 60 53 A 7 LEU H A 7 LEU HB2 1.0 1.8 3.8 61 53 A 7 LEU H A 7 LEU HB3 1.0 1.8 3.8 62 54 A 18 LYS H A 18 LYS HBx 1.0 1.8 2.8 63 55 A 18 LYS H A 18 LYS HBy 1.0 1.8 2.8 64 56 A 13 LYS H A 13 LYS HBy 1.0 1.8 2.8 65 57 A 13 LYS H A 13 LYS HBx 1.0 1.8 2.8 66 58 A 16 ARG H A 16 ARG HB2 1.0 1.8 3.8 67 58 A 16 ARG H A 16 ARG HB3 1.0 1.8 3.8 68 59 A 9 THR H A 9 THR HG2% 1.0 1.8 2.8 69 59 A 9 THR H A 9 THR HG1 1.0 1.8 2.8 70 60 A 7 LEU H A 7 LEU HD1% 1.0 1.8 5.2 71 60 A 7 LEU H A 7 LEU HD2% 1.0 1.8 5.2 72 61 A 12 PHE HA A 12 PHE HD% 1.0 1.8 4.8 73 62 A 6 PHE HA A 6 PHE HD% 1.0 2.8 5.5 74 63 A 17 TYR HA A 17 TYR HD% 1.0 1.8 4.8 75 64 A 12 PHE HA A 12 PHE HB2 1.0 1.8 2.8 76 65 A 6 PHE HA A 6 PHE HBy 1.0 1.8 2.8 77 66 A 6 PHE HA A 6 PHE HBx 1.0 1.8 2.8 78 67 A 17 TYR HA A 17 TYR HBx 1.0 1.8 2.8 79 68 A 15 ASP HA A 15 ASP HB2 1.0 1.8 3.8 80 68 A 15 ASP HA A 15 ASP HB3 1.0 1.8 3.8 81 69 A 12 PHE HA A 12 PHE HB3 1.0 1.8 2.8 82 70 A 17 TYR HA A 17 TYR HBy 1.0 1.8 2.8 83 71 A 8 PRO HA A 8 PRO HBy 1.0 1.8 2.8 84 72 A 8 PRO HA A 8 PRO HGx 1.0 1.8 3.8 85 72 A 8 PRO HA A 8 PRO HGy 1.0 1.8 3.8 86 73 A 7 LEU HA A 7 LEU HB2 1.0 1.8 3.8 87 73 A 7 LEU HB3 A 7 LEU HA 1.0 1.8 3.8 88 74 A 7 LEU HA A 7 LEU HG 1.0 1.8 2.8 89 75 A 3 LYS HA A 3 LYS HBy 1.0 2.8 3.5 90 76 A 3 LYS HA A 3 LYS HBx 1.0 2.8 3.5 91 77 A 18 LYS HA A 18 LYS HBy 1.0 1.8 2.8 92 78 A 18 LYS HA A 18 LYS HBx 1.0 2.8 3.5 93 79 A 2 ILE HA A 2 ILE HB 1.0 1.8 2.8 94 80 A 13 LYS HA A 13 LYS HBy 1.0 1.8 2.8 95 81 A 13 LYS HA A 13 LYS HBx 1.0 2.8 3.5 96 82 A 13 LYS HA A 13 LYS HD2 1.0 1.8 3.8 97 82 A 13 LYS HA A 13 LYS HD3 1.0 1.8 3.8 98 83 A 8 PRO HA A 8 PRO HBx 1.0 1.8 2.8 99 84 A 13 LYS HA A 13 LYS HG2 1.0 1.8 3.8 100 84 A 13 LYS HA A 13 LYS HG3 1.0 1.8 3.8 101 85 A 14 ALA HA A 14 ALA HB% 1.0 1.8 3.8 102 86 A 11 ALA HA A 11 ALA HB% 1.0 1.8 3.8 103 87 A 5 ALA HA A 5 ALA HB% 1.0 1.8 3.8 104 88 A 2 ILE HA A 2 ILE HD1% 1.0 1.8 3.8 105 89 A 7 LEU HA A 7 LEU HD1% 1.0 1.8 5.2 106 89 A 7 LEU HD2% A 7 LEU HA 1.0 1.8 5.2 107 90 A 8 PRO HDx A 8 PRO HGx 1.0 1.8 3.8 108 90 A 8 PRO HGy A 8 PRO HDx 1.0 1.8 3.8 109 91 A 8 PRO HDy A 8 PRO HGx 1.0 1.8 3.8 110 91 A 8 PRO HGy A 8 PRO HDy 1.0 1.8 3.8 111 92 A 8 PRO HDx A 8 PRO HDy 1.0 1.8 2.8 112 93 A 7 LEU HA A 8 PRO HDy 1.0 1.8 2.8 113 94 A 7 LEU HA A 8 PRO HDx 1.0 1.8 2.8 114 95 A 8 PRO HBy A 8 PRO HGx 1.0 1.8 3.8 115 95 A 8 PRO HBy A 8 PRO HGy 1.0 1.8 3.8 116 96 A 8 PRO HBy A 8 PRO HBx 1.0 1.8 2.8 117 97 A 16 ARG H A 15 ASP H 1.0 1.8 2.8 118 98 A 13 LYS H A 14 ALA H 1.0 2.8 3.5 119 99 A 15 ASP H A 14 ALA H 1.0 1.8 2.8 120 100 A 17 TYR HD% A 17 TYR HE% 1.0 1.8 6.8 stop_ save_ save_Discover_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 16 ARG H A 12 PHE O 1.0 1.8 2.5 2 2 A 17 TYR H A 13 LYS O 1.0 1.8 2.5 stop_ save_ save_Discover_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode Discover_dihedral_6 _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 MET CA A 1 MET C A 2 ILE N A 2 ILE CA 1.0 178.0 180.0 OMEGA 2 2 A 2 ILE CA A 2 ILE C A 3 LYS N A 3 LYS CA 1.0 178.0 180.0 OMEGA 3 3 A 3 LYS CA A 3 LYS C A 4 SER N A 4 SER CA 1.0 178.0 180.0 OMEGA 4 4 A 4 SER CA A 4 SER C A 5 ALA N A 5 ALA CA 1.0 178.0 180.0 OMEGA 5 5 A 5 ALA CA A 5 ALA C A 6 PHE N A 6 PHE CA 1.0 178.0 180.0 OMEGA 6 6 A 6 PHE CA A 6 PHE C A 7 LEU N A 7 LEU CA 1.0 178.0 180.0 OMEGA 7 7 A 7 LEU CA A 7 LEU C A 8 PRO N A 8 PRO CA 1.0 178.0 180.0 OMEGA 8 8 A 8 PRO CA A 8 PRO C A 9 THR N A 9 THR CA 1.0 178.0 180.0 OMEGA 9 9 A 9 THR CA A 9 THR C A 10 GLY N A 10 GLY CA 1.0 178.0 180.0 OMEGA 10 10 A 10 GLY CA A 10 GLY C A 11 ALA N A 11 ALA CA 1.0 178.0 180.0 OMEGA 11 11 A 11 ALA CA A 11 ALA C A 12 PHE N A 12 PHE CA 1.0 178.0 180.0 OMEGA 12 12 A 12 PHE CA A 12 PHE C A 13 LYS N A 13 LYS CA 1.0 178.0 180.0 OMEGA 13 13 A 13 LYS CA A 13 LYS C A 14 ALA N A 14 ALA CA 1.0 178.0 180.0 OMEGA 14 14 A 14 ALA CA A 14 ALA C A 15 ASP N A 15 ASP CA 1.0 178.0 180.0 OMEGA 15 15 A 15 ASP CA A 15 ASP C A 16 ARG N A 16 ARG CA 1.0 178.0 180.0 OMEGA 16 16 A 16 ARG CA A 16 ARG C A 17 TYR N A 17 TYR CA 1.0 178.0 180.0 OMEGA 17 17 A 17 TYR CA A 17 TYR C A 18 LYS N A 18 LYS CA 1.0 178.0 180.0 OMEGA 18 18 A 18 LYS CA A 18 LYS C A 19 SER N A 19 SER CA 1.0 178.0 180.0 OMEGA 19 19 A 19 SER CA A 19 SER C A 20 HIS N A 20 HIS CA 1.0 178.0 180.0 OMEGA stop_ save_