data_nef_c30407_6cej 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6CEJ 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 139 GLY start . false 2 A 140 ARG middle . . 3 A 141 LYS middle . . 4 A 142 ARG middle . . 5 A 143 ARG middle . . 6 A 144 GLN middle . . 7 A 145 THR middle . . 8 A 146 SER middle . . 9 A 147 MET middle . . 10 A 148 THR middle . . 11 A 149 ASP middle . . 12 A 150 PHE middle . . 13 A 151 TYR middle . . 14 A 152 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 140 ARG HA H 1 4.365 0.0 A 140 ARG HBx H 1 1.745 . A 140 ARG HBy H 1 1.818 . A 140 ARG HG2 H 1 1.633 . A 140 ARG HG3 H 1 1.633 . A 141 LYS H H 1 8.523 0.002 A 141 LYS HA H 1 4.314 0.002 A 141 LYS HBy H 1 1.802 0.003 A 141 LYS HBx H 1 1.742 0.003 A 141 LYS HD2 H 1 1.685 . A 141 LYS HD3 H 1 1.685 . A 141 LYS HE2 H 1 2.999 0.004 A 141 LYS HE3 H 1 2.999 0.004 A 141 LYS HG2 H 1 1.429 0.009 A 141 LYS HG3 H 1 1.429 0.009 A 142 ARG H H 1 8.479 0.006 A 142 ARG HA H 1 4.313 . A 142 ARG HB2 H 1 1.817 . A 142 ARG HBy H 1 1.817 . A 142 ARG HBx H 1 1.760 . A 142 ARG HG2 H 1 1.623 . A 142 ARG HG3 H 1 1.623 . A 143 ARG H H 1 8.476 0.004 A 143 ARG HA H 1 4.309 0.003 A 143 ARG HBy H 1 1.814 0.006 A 143 ARG HBx H 1 1.759 0.003 A 143 ARG HD2 H 1 3.180 0.003 A 143 ARG HD3 H 1 3.180 0.003 A 143 ARG HE H 1 7.177 0.002 A 143 ARG HG2 H 1 1.619 0.004 A 143 ARG HG3 H 1 1.619 0.004 A 144 GLN H H 1 8.564 0.002 A 144 GLN HA H 1 4.414 0.003 A 144 GLN HBx H 1 2.012 0.005 A 144 GLN HBy H 1 2.122 0.006 A 144 GLN HE21 H 1 6.876 0.0 A 144 GLN HE22 H 1 7.540 0.001 A 144 GLN HG2 H 1 2.366 0.004 A 144 GLN HG3 H 1 2.366 0.004 A 145 THR H H 1 8.293 0.002 A 145 THR HA H 1 4.374 0.002 A 145 THR HB H 1 4.276 0.004 A 145 THR HG2% H 1 1.201 0.002 A 146 SER H H 1 8.367 0.003 A 146 SER HA H 1 4.529 0.005 A 146 SER HBy H 1 3.917 0.001 A 146 SER HBx H 1 3.870 0.003 A 147 MET H H 1 8.525 0.003 A 147 MET HA H 1 4.525 0.003 A 147 MET HBy H 1 2.150 0.003 A 147 MET HBx H 1 2.040 0.001 A 147 MET HGy H 1 2.628 . A 147 MET HGx H 1 2.548 . A 148 THR H H 1 8.071 0.002 A 148 THR HA H 1 4.262 0.001 A 148 THR HB H 1 4.183 0.003 A 148 THR HG2% H 1 1.130 0.004 A 149 ASP H H 1 8.117 0.003 A 149 ASP HA H 1 4.558 0.003 A 149 ASP HBy H 1 2.609 0.004 A 149 ASP HBx H 1 2.550 0.004 A 150 PHE H H 1 7.992 0.001 A 150 PHE HA H 1 4.511 0.007 A 150 PHE HBx H 1 2.874 0.003 A 150 PHE HBy H 1 2.972 0.004 A 150 PHE HD1 H 1 7.090 0.002 A 150 PHE HD2 H 1 7.090 0.002 A 150 PHE HE1 H 1 7.281 0.003 A 150 PHE HE2 H 1 7.281 0.003 A 150 PHE HZ H 1 7.255 . A 151 TYR H H 1 8.083 0.002 A 151 TYR HA H 1 4.502 0.002 A 151 TYR HBy H 1 3.034 0.002 A 151 TYR HBx H 1 2.867 0.008 A 151 TYR HD1 H 1 7.103 0.005 A 151 TYR HD2 H 1 7.103 0.005 A 151 TYR HE1 H 1 6.836 0.004 A 151 TYR HE2 H 1 6.836 0.004 A 152 HIS H H 1 7.763 0.006 A 152 HIS HA H 1 4.376 0.004 A 152 HIS HBy H 1 3.222 0.003 A 152 HIS HBx H 1 3.055 0.004 A 152 HIS HD2 H 1 7.191 0.001 A 152 HIS HE1 H 1 8.532 0.001 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _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 152 HIS HA A 152 HIS H 1.0 1.990 5.422 2 2 A 152 HIS H A 152 HIS HBy 1.0 1.995 5.603 3 3 A 150 PHE HBx A 150 PHE H 1.0 1.916 4.446 4 4 A 150 PHE H A 150 PHE HBy 1.0 1.850 3.962 5 5 A 151 TYR HBy A 151 TYR H 1.0 1.957 4.869 6 6 A 151 TYR H A 151 TYR HBx 1.0 1.874 4.120 7 7 A 149 ASP HBx A 149 ASP H 1.0 1.937 4.643 8 8 A 149 ASP H A 149 ASP HBy 1.0 1.895 4.277 9 9 A 149 ASP H A 149 ASP HA 1.0 1.997 5.687 10 10 A 150 PHE H A 150 PHE HA 1.0 1.902 4.328 11 11 A 148 THR HG2% A 148 THR H 1.0 1.939 4.659 12 12 A 148 THR H A 148 THR HB 1.0 1.900 4.312 13 13 A 148 THR H A 148 THR HA 1.0 1.857 4.001 14 14 A 145 THR HB A 145 THR H 1.0 1.891 4.241 15 15 A 145 THR H A 145 THR HA 1.0 1.889 4.231 16 16 A 146 SER HA A 146 SER H 1.0 1.984 5.288 17 17 A 146 SER H A 146 SER HBx 1.0 1.922 4.502 18 18 A 146 SER H A 146 SER HBy 1.0 1.910 4.394 19 19 A 147 MET HA A 147 MET H 1.0 1.704 3.220 20 20 A 144 GLN HA A 144 GLN H 1.0 1.907 4.367 21 21 A 144 GLN H A 144 GLN HBx 1.0 1.855 3.989 22 22 A 147 MET H A 147 MET HGy 1.0 1.998 5.762 23 23 A 144 GLN HE21 A 144 GLN HE22 1.0 1.229 1.803 24 24 A 150 PHE HE1 A 150 PHE HD2 1.0 1.457 2.377 25 24 A 150 PHE HE2 A 150 PHE HD2 1.0 1.457 2.377 26 24 A 150 PHE HD1 A 150 PHE HE2 1.0 1.457 2.377 27 24 A 150 PHE HD1 A 150 PHE HE1 1.0 1.457 2.377 28 25 A 147 MET H A 147 MET HBx 1.0 1.979 5.207 29 26 A 147 MET H A 147 MET HBy 1.0 1.840 3.898 30 27 A 144 GLN H A 144 GLN HBy 1.0 1.923 4.507 31 28 A 151 TYR H A 151 TYR HD2 1.0 1.986 5.348 32 28 A 151 TYR H A 151 TYR HD1 1.0 1.986 5.348 33 29 A 151 TYR HD2 A 151 TYR HE1 1.0 1.414 2.256 34 29 A 151 TYR HD2 A 151 TYR HE2 1.0 1.414 2.256 35 29 A 151 TYR HD1 A 151 TYR HE2 1.0 1.414 2.256 36 29 A 151 TYR HD1 A 151 TYR HE1 1.0 1.414 2.256 37 30 A 150 PHE HA A 150 PHE HD2 1.0 1.945 4.723 38 30 A 150 PHE HA A 150 PHE HD1 1.0 1.945 4.723 39 31 A 150 PHE HBx A 150 PHE HD2 1.0 1.960 4.904 40 31 A 150 PHE HBx A 150 PHE HD1 1.0 1.960 4.904 41 32 A 150 PHE HBy A 150 PHE HD2 1.0 1.950 4.780 42 32 A 150 PHE HBy A 150 PHE HD1 1.0 1.950 4.780 43 33 A 151 TYR HBy A 151 TYR HD2 1.0 1.920 4.480 44 33 A 151 TYR HBy A 151 TYR HD1 1.0 1.920 4.480 45 34 A 151 TYR HBx A 151 TYR HD2 1.0 1.925 4.533 46 34 A 151 TYR HBx A 151 TYR HD1 1.0 1.925 4.533 47 35 A 148 THR HG2% A 148 THR HB 1.0 1.775 3.539 48 36 A 145 THR HB A 145 THR HG2% 1.0 1.699 3.197 49 37 A 143 ARG HA A 143 ARG HBy 1.0 1.859 4.019 50 38 A 143 ARG HA A 143 ARG HBx 1.0 1.792 3.630 51 39 A 144 GLN HA A 144 GLN HBx 1.0 1.992 5.520 52 40 A 147 MET HA A 147 MET HBy 1.0 1.989 5.431 53 41 A 147 MET HA A 147 MET HBx 1.0 1.970 5.054 54 42 A 144 GLN HA A 144 GLN HBy 1.0 1.950 4.784 55 43 A 151 TYR HBx A 151 TYR HA 1.0 1.998 5.708 56 44 A 149 ASP HBx A 149 ASP HA 1.0 1.971 5.065 57 45 A 148 THR HG2% A 148 THR HA 1.0 1.827 3.821 58 46 A 145 THR HA A 145 THR HG2% 1.0 1.811 3.729 59 47 A 151 TYR HBy A 151 TYR HA 1.0 1.987 5.369 60 48 A 143 ARG HBy A 143 ARG H 1.0 1.901 4.315 61 49 A 143 ARG HBx A 143 ARG H 1.0 1.936 4.632 62 50 A 141 LYS HA A 141 LYS H 1.0 1.792 3.626 63 51 A 144 GLN H A 143 ARG HA 1.0 1.639 2.961 64 52 A 145 THR HA A 146 SER H 1.0 1.696 3.186 65 53 A 145 THR HB A 146 SER H 1.0 1.899 4.305 66 54 A 145 THR H A 144 GLN HA 1.0 1.685 3.141 67 55 A 149 ASP H A 148 THR HA 1.0 1.772 3.526 68 56 A 149 ASP H A 148 THR HB 1.0 1.999 6.177 69 57 A 150 PHE H A 149 ASP HA 1.0 1.792 3.628 70 58 A 152 HIS H A 151 TYR HA 1.0 1.882 4.174 71 59 A 146 SER HBx A 147 MET H 1.0 1.965 4.985 72 60 A 146 SER HBy A 147 MET H 1.0 1.992 5.498 73 61 A 150 PHE HBx A 151 TYR H 1.0 1.994 5.572 74 62 A 150 PHE H A 149 ASP HBx 1.0 1.992 5.526 75 63 A 150 PHE H A 149 ASP HBy 1.0 1.979 5.199 76 64 A 148 THR H A 147 MET HBx 1.0 1.990 5.454 77 65 A 148 THR H A 147 MET HBy 1.0 1.993 5.553 78 66 A 149 ASP H A 148 THR HG2% 1.0 1.771 8.935 79 67 A 145 THR H A 144 GLN HBy 1.0 1.974 5.102 80 68 A 152 HIS H A 151 TYR H 1.0 1.924 4.522 81 69 A 148 THR H A 147 MET H 1.0 1.879 4.153 82 70 A 152 HIS H A 151 TYR HBx 1.0 1.983 6.753 83 71 A 148 THR H A 147 MET HA 1.0 1.716 3.270 84 72 A 150 PHE HBy A 151 TYR H 1.0 1.936 4.628 85 73 A 141 LYS H A 140 ARG HA 1.0 1.817 3.765 86 74 A 149 ASP H A 146 SER HBx 1.0 1.990 6.574 87 75 A 149 ASP H A 146 SER HBy 1.0 1.994 6.454 88 76 A 150 PHE HBx A 150 PHE HA 1.0 1.976 5.148 89 77 A 145 THR H A 144 GLN HBx 1.0 1.998 5.792 90 78 A 144 GLN H A 143 ARG HBx 1.0 1.957 4.877 91 79 A 141 LYS H A 141 LYS HBy 1.0 1.928 4.556 92 80 A 144 GLN H A 143 ARG HBy 1.0 1.978 5.188 93 81 A 141 LYS H A 141 LYS HBx 1.0 1.978 5.178 94 82 A 146 SER H A 145 THR HG2% 1.0 1.989 5.423 95 83 A 145 THR H A 145 THR HG2% 1.0 1.944 4.722 96 84 A 148 THR H A 146 SER HBy 1.0 1.998 6.282 97 85 A 148 THR H A 146 SER HBx 1.0 1.988 6.636 98 86 A 151 TYR H A 150 PHE HA 1.0 1.724 3.308 99 86 A 151 TYR H A 151 TYR HA 1.0 1.724 3.308 100 87 A 143 ARG HA A 143 ARG H 1.0 1.564 2.702 101 87 A 143 ARG H A 142 ARG HA 1.0 1.564 2.702 102 88 A 142 ARG HBx A 142 ARG H 1.0 1.816 3.758 103 88 A 143 ARG HBx A 143 ARG H 1.0 1.816 3.758 104 89 A 143 ARG HBy A 143 ARG H 1.0 1.792 3.626 105 89 A 142 ARG H A 142 ARG HBy 1.0 1.792 3.626 106 90 A 143 ARG H A 142 ARG HG2 1.0 1.945 4.735 107 90 A 142 ARG H A 142 ARG HG3 1.0 1.945 4.735 108 90 A 142 ARG H A 142 ARG HG2 1.0 1.945 4.735 109 90 A 143 ARG H A 143 ARG HG2 1.0 1.945 4.735 110 90 A 143 ARG H A 143 ARG HG3 1.0 1.945 4.735 111 91 A 143 ARG HA A 143 ARG HG3 1.0 1.925 4.525 112 91 A 143 ARG HA A 143 ARG HG2 1.0 1.925 4.525 113 92 A 144 GLN HBx A 144 GLN HG2 1.0 1.757 3.451 114 92 A 144 GLN HBx A 144 GLN HG3 1.0 1.757 3.451 115 93 A 144 GLN HBy A 144 GLN HG3 1.0 1.714 3.260 116 93 A 144 GLN HBy A 144 GLN HG2 1.0 1.714 3.260 117 94 A 144 GLN H A 144 GLN HG3 1.0 1.987 5.355 118 94 A 144 GLN H A 144 GLN HG2 1.0 1.987 5.355 119 95 A 144 GLN H A 143 ARG HG2 1.0 1.999 5.823 120 95 A 144 GLN H A 143 ARG HG3 1.0 1.999 5.823 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_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 148 THR H A 148 THR OG1 1.0 1.8 2.3 2 1 A 148 THR H A 146 SER OG 1.0 1.8 2.3 3 1 A 148 THR H A 146 SER O 1.0 1.8 2.3 4 2 A 148 THR OG1 A 148 THR N 1.0 2.8 3.3 5 2 A 146 SER OG A 148 THR N 1.0 2.8 3.3 6 2 A 146 SER O A 148 THR N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 9615.385 . . . . 2 Hz . . 9615.385 . . . . stop_ save_