data_nef_c30414_6civ 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 6CIV 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 6 GLN C 1 7 DAB N 1 7 DAB C 1 8 SER N 1 7 DAB ND 1 11 GLU CD 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 C 139 GLY start . false 2 C 140 ARG middle . . 3 C 141 LYS middle . . 4 C 142 ARG middle . . 5 C 143 ARG middle . . 6 C 144 GLN middle -OXT . 7 C 145 DAB middle -H2,-OXT . 8 C 146 SER middle -H2 . 9 C 147 MET middle . . 10 C 148 THR middle . . 11 C 149 GLU middle . . 12 C 150 PHE middle . . 13 C 151 TYR middle . . 14 C 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 C 140 ARG HA H 1 4.365 0.005 C 140 ARG HBy H 1 1.830 0.007 C 140 ARG HBx H 1 1.747 0.0 C 140 ARG HD2 H 1 3.197 0.001 C 140 ARG HD3 H 1 3.197 0.001 C 140 ARG HG2 H 1 1.637 0.004 C 140 ARG HG3 H 1 1.637 0.004 C 141 LYS H H 1 8.523 0.002 C 141 LYS HA H 1 4.320 0.003 C 141 LYS HB2 H 1 1.769 0.001 C 141 LYS HB3 H 1 1.769 0.001 C 141 LYS HD2 H 1 1.675 0.003 C 141 LYS HD3 H 1 1.675 0.003 C 141 LYS HE2 H 1 3.000 0.002 C 141 LYS HE3 H 1 3.000 0.002 C 141 LYS HG2 H 1 1.443 0.004 C 141 LYS HG3 H 1 1.443 0.004 C 142 ARG H H 1 8.487 0.001 C 142 ARG HA H 1 4.323 . C 142 ARG HBy H 1 1.808 . C 142 ARG HBx H 1 1.744 0.0 C 142 ARG HG2 H 1 1.619 . C 142 ARG HG3 H 1 1.619 0.0 C 143 ARG H H 1 8.488 0.002 C 143 ARG HA H 1 4.306 0.009 C 143 ARG HBy H 1 1.813 0.003 C 143 ARG HBx H 1 1.747 0.01 C 143 ARG HD2 H 1 3.186 . C 143 ARG HD3 H 1 3.186 . C 143 ARG HG2 H 1 1.615 0.003 C 143 ARG HG3 H 1 1.616 0.003 C 144 GLN H H 1 8.549 0.003 C 144 GLN HA H 1 4.327 0.02 C 144 GLN HBy H 1 2.044 0.006 C 144 GLN HBx H 1 1.940 0.011 C 144 GLN HE21 H 1 6.894 0.001 C 144 GLN HE22 H 1 7.546 0.002 C 144 GLN HG2 H 1 2.341 0.005 C 144 GLN HG3 H 1 2.341 0.005 C 145 DAB H H 1 8.467 0.004 C 145 DAB HA H 1 4.415 0.006 C 145 DAB HB2 H 1 2.032 0.006 C 145 DAB HB3 H 1 2.032 0.006 C 145 DAB HD1 H 1 7.882 0.003 C 145 DAB HGy H 1 3.328 0.004 C 145 DAB HGx H 1 3.319 0.023 C 146 SER H H 1 8.703 0.004 C 146 SER HA H 1 4.399 0.005 C 146 SER HBy H 1 4.045 0.011 C 146 SER HBx H 1 3.842 0.006 C 147 MET H H 1 8.842 0.002 C 147 MET HA H 1 4.554 0.002 C 147 MET HB2 H 1 2.244 0.002 C 147 MET HB3 H 1 2.244 0.002 C 147 MET HGy H 1 2.775 . C 147 MET HGx H 1 2.700 . C 148 THR H H 1 7.893 0.005 C 148 THR HA H 1 4.025 0.003 C 148 THR HB H 1 4.224 0.005 C 148 THR HG2% H 1 1.179 0.004 C 149 GLU H H 1 7.658 0.003 C 149 GLU HA H 1 4.203 0.005 C 149 GLU HBy H 1 1.779 0.002 C 149 GLU HBx H 1 1.714 0.002 C 149 GLU HGy H 1 1.979 0.005 C 149 GLU HGx H 1 1.362 0.003 C 150 PHE H H 1 7.735 0.003 C 150 PHE HA H 1 4.667 0.001 C 150 PHE HBx H 1 2.806 0.005 C 150 PHE HBy H 1 3.189 0.005 C 150 PHE HD1 H 1 7.248 0.001 C 150 PHE HD2 H 1 7.248 0.001 C 150 PHE HE1 H 1 7.287 0.005 C 150 PHE HE2 H 1 7.287 0.005 C 150 PHE HZ H 1 7.195 0.001 C 151 TYR H H 1 7.882 0.005 C 151 TYR HA H 1 4.633 0.002 C 151 TYR HBy H 1 3.069 0.004 C 151 TYR HBx H 1 2.917 0.005 C 151 TYR HD1 H 1 7.106 0.005 C 151 TYR HD2 H 1 7.106 0.005 C 151 TYR HE1 H 1 6.811 0.004 C 151 TYR HE2 H 1 6.811 0.004 C 152 HIS H H 1 7.943 0.003 C 152 HIS HA H 1 4.432 0.009 C 152 HIS HBy H 1 3.231 0.008 C 152 HIS HBx H 1 3.098 0.002 C 152 HIS HD2 H 1 7.206 0.003 C 152 HIS HE1 H 1 8.530 0.001 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 C 152 HIS HA C 152 HIS H 1.0 1.826 3.816 2 2 C 144 GLN HE22 C 144 GLN HE21 1.0 1.212 1.766 3 3 C 150 PHE HBy C 150 PHE HD2 1.0 1.744 3.390 4 3 C 150 PHE HBy C 150 PHE HD1 1.0 1.744 3.390 5 4 C 150 PHE HD2 C 150 PHE HBx 1.0 1.607 2.849 6 4 C 150 PHE HD1 C 150 PHE HBx 1.0 1.607 2.849 7 5 C 150 PHE HBx C 150 PHE HE2 1.0 1.861 6.000 8 5 C 150 PHE HBx C 150 PHE HE1 1.0 1.861 6.000 9 6 C 150 PHE HBx C 150 PHE H 1.0 1.771 3.523 10 7 C 150 PHE HBy C 150 PHE H 1.0 1.904 4.348 11 8 C 152 HIS H C 152 HIS HBx 1.0 1.988 5.390 12 9 C 152 HIS H C 152 HIS HBy 1.0 1.952 4.816 13 10 C 150 PHE HBy C 150 PHE HBx 1.0 1.430 2.300 14 11 C 143 ARG HA C 143 ARG HBy 1.0 1.790 3.622 15 12 C 143 ARG HA C 143 ARG HBx 1.0 1.856 4.002 16 13 C 143 ARG HBy C 143 ARG H 1.0 1.782 3.576 17 14 C 144 GLN HG3 C 144 GLN H 1.0 1.983 5.285 18 15 C 144 GLN H C 144 GLN HBx 1.0 1.921 4.483 19 16 C 144 GLN H C 144 GLN HBy 1.0 1.853 3.975 20 17 C 150 PHE HBx C 150 PHE HA 1.0 1.973 6.961 21 18 C 148 THR HB C 148 THR H 1.0 1.803 3.681 22 19 C 148 THR HG2% C 148 THR H 1.0 1.797 3.655 23 20 C 151 TYR HBy C 151 TYR H 1.0 1.891 4.235 24 21 C 151 TYR H C 151 TYR HBx 1.0 1.780 3.568 25 22 C 151 TYR HD1 C 151 TYR HE2 1.0 1.375 2.153 26 22 C 151 TYR HD2 C 151 TYR HE2 1.0 1.375 2.153 27 22 C 151 TYR HE1 C 151 TYR HD2 1.0 1.375 2.153 28 22 C 151 TYR HE1 C 151 TYR HD1 1.0 1.375 2.153 29 23 C 149 GLU HA C 149 GLU H 1.0 1.781 3.573 30 24 C 149 GLU HBx C 149 GLU H 1.0 1.773 3.531 31 25 C 149 GLU HBy C 149 GLU H 1.0 1.742 3.388 32 26 C 149 GLU HGx C 149 GLU H 1.0 1.700 3.200 33 27 C 149 GLU HGy C 149 GLU H 1.0 1.814 3.746 34 28 C 147 MET HA C 147 MET H 1.0 1.901 4.319 35 29 C 146 SER HBx C 146 SER H 1.0 1.941 4.677 36 30 C 146 SER H C 146 SER HBy 1.0 1.894 4.264 37 31 C 149 GLU HA C 150 PHE H 1.0 1.730 3.330 38 32 C 147 MET H C 146 SER HA 1.0 1.776 3.548 39 33 C 147 MET H C 146 SER HBx 1.0 1.971 5.057 40 34 C 147 MET H C 146 SER HBy 1.0 1.985 5.343 41 35 C 152 HIS H C 151 TYR HA 1.0 1.769 3.515 42 36 C 147 MET HA C 148 THR H 1.0 1.851 3.965 43 37 C 152 HIS H C 151 TYR HBy 1.0 1.909 4.387 44 38 C 152 HIS H C 151 TYR HBx 1.0 1.962 4.940 45 39 C 150 PHE HBy C 151 TYR H 1.0 1.924 4.520 46 40 C 150 PHE HBx C 151 TYR H 1.0 1.907 4.365 47 41 C 146 SER HBy C 148 THR H 1.0 1.908 4.376 48 42 C 146 SER HBy C 149 GLU H 1.0 1.947 4.745 49 43 C 149 GLU HGx C 150 PHE H 1.0 1.862 4.034 50 44 C 149 GLU HBy C 150 PHE H 1.0 1.938 4.652 51 45 C 149 GLU HGy C 150 PHE H 1.0 1.917 4.451 52 46 C 148 THR HG2% C 149 GLU H 1.0 1.976 5.138 53 47 C 150 PHE HE2 C 149 GLU HGy 1.0 1.956 4.850 54 47 C 150 PHE HE1 C 149 GLU HGy 1.0 1.956 4.850 55 48 C 149 GLU HGx C 150 PHE HE2 1.0 1.978 5.196 56 48 C 149 GLU HGx C 150 PHE HE1 1.0 1.978 5.196 57 49 C 149 GLU HGx C 150 PHE HD2 1.0 1.977 5.167 58 49 C 149 GLU HGx C 150 PHE HD1 1.0 1.977 5.167 59 50 C 150 PHE HBy C 150 PHE HE2 1.0 1.966 4.998 60 50 C 150 PHE HBy C 150 PHE HE1 1.0 1.966 4.998 61 51 C 151 TYR HBy C 151 TYR HD2 1.0 1.835 3.869 62 51 C 151 TYR HBy C 151 TYR HD1 1.0 1.835 3.869 63 52 C 151 TYR HBx C 151 TYR HD2 1.0 1.840 3.898 64 52 C 151 TYR HBx C 151 TYR HD1 1.0 1.840 3.898 65 53 C 149 GLU H C 148 THR H 1.0 1.817 3.767 66 54 C 151 TYR H C 150 PHE H 1.0 1.779 3.559 67 55 C 147 MET H C 148 THR H 1.0 1.948 4.752 68 56 C 148 THR HA C 149 GLU H 1.0 1.721 3.289 69 57 C 149 GLU HBx C 150 PHE H 1.0 1.933 4.603 70 58 C 148 THR HG2% C 148 THR HA 1.0 1.760 3.472 71 59 C 148 THR HB C 148 THR HG2% 1.0 1.733 3.343 72 60 C 149 GLU HBy C 149 GLU HA 1.0 1.710 3.242 73 61 C 149 GLU HBx C 149 GLU HA 1.0 1.732 3.342 74 62 C 149 GLU HA C 149 GLU HGy 1.0 1.931 4.585 75 63 C 144 GLN HBx C 144 GLN HA 1.0 1.918 4.462 76 64 C 149 GLU HGx C 149 GLU HA 1.0 1.927 4.543 77 65 C 146 SER HBx C 146 SER HBy 1.0 1.418 2.268 78 66 C 148 THR HB C 148 THR HA 1.0 1.706 3.226 79 67 C 146 SER HBx C 146 SER HA 1.0 1.932 4.590 80 68 C 146 SER HBy C 146 SER HA 1.0 1.961 4.931 81 69 C 151 TYR HBy C 151 TYR HBx 1.0 1.335 2.051 82 70 C 149 GLU HGx C 149 GLU HGy 1.0 1.465 2.399 83 71 C 143 ARG HBy C 144 GLN H 1.0 1.969 5.045 84 72 C 143 ARG HBx C 144 GLN H 1.0 1.970 5.046 85 73 C 146 SER HBx C 148 THR H 1.0 1.693 3.173 86 73 C 148 THR HA C 148 THR H 1.0 1.693 3.173 87 74 C 143 ARG HA C 143 ARG HG2 1.0 1.968 5.026 88 74 C 143 ARG HA C 143 ARG HG3 1.0 1.968 5.026 89 75 C 143 ARG H C 142 ARG HBy 1.0 1.737 3.359 90 75 C 143 ARG HBx C 143 ARG H 1.0 1.737 3.359 91 76 C 143 ARG H C 142 ARG HG2 1.0 1.903 4.329 92 76 C 143 ARG H C 143 ARG HG2 1.0 1.903 4.329 93 76 C 143 ARG H C 143 ARG HG3 1.0 1.903 4.329 94 77 C 143 ARG HA C 143 ARG H 1.0 1.526 2.578 95 77 C 142 ARG HA C 142 ARG H 1.0 1.526 2.578 96 77 C 143 ARG H C 142 ARG HA 1.0 1.526 2.578 97 78 C 144 GLN H C 144 GLN HA 1.0 1.652 3.010 98 78 C 143 ARG HA C 144 GLN H 1.0 1.652 3.010 99 79 C 148 THR HA C 149 GLU H 1.0 1.713 3.259 100 79 C 146 SER HBx C 149 GLU H 1.0 1.713 3.259 101 80 C 147 MET HB3 C 148 THR H 1.0 1.851 3.965 102 80 C 147 MET HB2 C 148 THR H 1.0 1.851 3.965 103 81 C 147 MET HA C 147 MET HB2 1.0 1.853 3.977 104 81 C 147 MET HA C 147 MET HB3 1.0 1.853 3.977 105 82 C 144 GLN HBy C 144 GLN HG2 1.0 1.763 3.483 106 82 C 144 GLN HG3 C 144 GLN HBy 1.0 1.763 3.483 107 83 C 144 GLN HG3 C 144 GLN HBx 1.0 1.733 3.341 108 83 C 144 GLN HBx C 144 GLN HG2 1.0 1.733 3.341 109 84 C 147 MET H C 147 MET HB3 1.0 1.822 3.790 110 84 C 147 MET H C 147 MET HB2 1.0 1.822 3.790 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 C 149 GLU H C 146 SER O 1.0 1.8 2.3 2 2 C 146 SER O C 149 GLU N 1.0 2.8 3.3 3 3 C 148 THR H C 148 THR OG1 1.0 1.8 2.3 4 4 C 149 GLU N C 148 THR OG1 1.0 2.8 3.3 5 5 C 150 PHE H C 147 MET O 1.0 1.8 2.3 6 6 C 147 MET O C 150 PHE N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 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 . . 9615.39 . . . . 2 Hz . . 9615.39 . . . . stop_ save_