data_nef_c30350_6b9k 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 6B9K 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 ARG start . . 2 A 2 GLY middle . false 3 A 3 PRO middle . false 4 A 4 GLY middle . false 5 A 5 ARG middle . . 6 A 6 ALA middle . . 7 A 7 PHE middle . . 8 A 8 VAL middle . . 9 A 9 THR middle . . 10 A 10 ILE 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 1 ARG HA H 1 3.977 0.020 A 1 ARG HBy H 1 1.885 0.020 A 1 ARG HBx H 1 1.880 0.020 A 1 ARG CA C 13 55.776 0.300 A 1 ARG CB C 13 31.166 0.300 A 1 ARG CD C 13 43.117 0.300 A 1 ARG CG C 13 26.216 0.300 A 2 GLY H H 1 8.729 0.020 A 2 GLY HAy H 1 4.189 0.020 A 2 GLY HAx H 1 4.057 0.020 A 2 GLY CA C 13 44.463 0.300 A 2 GLY N N 15 110.746 0.300 A 3 PRO HA H 1 4.412 0.020 A 3 PRO HDy H 1 3.608 0.020 A 3 PRO HDx H 1 3.585 0.020 A 3 PRO HGy H 1 1.984 0.020 A 3 PRO HGx H 1 1.954 0.020 A 3 PRO CA C 13 63.332 0.300 A 3 PRO CB C 13 32.318 0.300 A 3 PRO CD C 13 49.732 0.300 A 3 PRO CG C 13 27.019 0.300 A 4 GLY H H 1 8.587 0.020 A 4 GLY CA C 13 44.965 0.300 A 4 GLY N N 15 109.593 0.300 A 5 ARG H H 1 8.323 0.020 A 5 ARG HA H 1 4.249 0.020 A 5 ARG HBy H 1 1.741 0.020 A 5 ARG HBx H 1 1.652 0.020 A 5 ARG HE H 1 7.193 0.020 A 5 ARG CA C 13 55.754 0.300 A 5 ARG CB C 13 30.983 0.300 A 5 ARG CD C 13 43.171 0.300 A 5 ARG CG C 13 26.888 0.300 A 5 ARG N N 15 120.975 0.300 A 6 ALA H H 1 8.440 0.020 A 6 ALA HA H 1 4.209 0.020 A 6 ALA CA C 13 52.342 0.300 A 6 ALA CB C 13 19.234 0.300 A 6 ALA N N 15 125.551 0.300 A 7 PHE H H 1 8.299 0.020 A 7 PHE HA H 1 4.552 0.020 A 7 PHE HBx H 1 2.981 0.020 A 7 PHE HBy H 1 3.042 0.020 A 7 PHE HZ H 1 7.239 0.020 A 7 PHE CA C 13 57.662 0.300 A 7 PHE CB C 13 39.645 0.300 A 7 PHE N N 15 120.167 0.300 A 8 VAL H H 1 8.103 0.020 A 8 VAL HA H 1 4.099 0.020 A 8 VAL HB H 1 1.937 0.020 A 8 VAL CA C 13 61.927 0.300 A 8 VAL CB C 13 32.348 0.300 A 8 VAL CGx C 13 20.600 0.300 A 8 VAL CGy C 13 21.083 0.300 A 8 VAL N N 15 123.205 0.300 A 9 THR H H 1 8.367 0.020 A 9 THR HA H 1 4.278 0.020 A 9 THR HB H 1 4.109 0.020 A 9 THR CA C 13 61.927 0.300 A 9 THR CB C 13 69.907 0.300 A 9 THR CG2 C 13 21.536 0.300 A 9 THR N N 15 120.206 0.300 A 10 ILE H H 1 7.919 0.020 A 10 ILE HA H 1 4.018 0.020 A 10 ILE HB H 1 1.779 0.020 A 10 ILE HG1y H 1 1.370 0.020 A 10 ILE HG1x H 1 1.100 0.020 A 10 ILE CA C 13 62.835 0.300 A 10 ILE CB C 13 39.494 0.300 A 10 ILE CD1 C 13 13.490 0.300 A 10 ILE CG1 C 13 27.294 0.300 A 10 ILE CG2 C 13 17.976 0.300 A 10 ILE N N 15 128.588 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _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 4 GLY H A 3 PRO HGx 1.0 . 4.69 2 2 A 4 GLY H A 5 ARG H 1.0 . 3.94 3 3 A 4 GLY H A 3 PRO HGy 1.0 . 4.69 4 4 A 5 ARG HA A 5 ARG HGx 1.0 . 3.85 5 4 A 5 ARG HA A 5 ARG HGy 1.0 . 3.85 6 5 A 6 ALA H A 5 ARG HGx 1.0 . 4.16 7 5 A 5 ARG HGy A 6 ALA H 1.0 . 4.16 8 6 A 7 PHE HD% A 10 ILE HG21 1.0 . 4.56 9 7 A 7 PHE HD% A 7 PHE H 1.0 . 4.03 10 8 A 7 PHE HD% A 6 ALA HB1 1.0 . 5.50 11 9 A 7 PHE HD% A 10 ILE HD11 1.0 . 5.23 12 10 A 7 PHE HD% A 8 VAL H 1.0 . 4.66 13 11 A 10 ILE HG21 A 10 ILE HA 1.0 . 3.60 14 12 A 10 ILE HG21 A 10 ILE H 1.0 . 4.01 15 13 A 7 PHE HD% A 7 PHE HA 1.0 . 3.14 16 14 A 10 ILE HG21 A 7 PHE HA 1.0 . 3.69 17 15 A 10 ILE HD11 A 10 ILE HA 1.0 . 4.51 18 16 A 7 PHE H A 7 PHE HBy 1.0 . 3.69 19 17 A 7 PHE H A 7 PHE HBx 1.0 . 3.69 20 18 A 7 PHE H A 6 ALA HA 1.0 . 2.66 21 19 A 6 ALA H A 7 PHE H 1.0 . 3.66 22 20 A 7 PHE H A 8 VAL HG11 1.0 . 4.88 23 20 A 7 PHE H A 8 VAL HG21 1.0 . 4.88 24 21 A 1 ARG HA A 1 ARG HDx 1.0 . 5.09 25 21 A 1 ARG HA A 1 ARG HDy 1.0 . 5.09 26 22 A 10 ILE H A 10 ILE HG1x 1.0 . 4.68 27 23 A 8 VAL H A 7 PHE HBy 1.0 . 4.56 28 24 A 5 ARG HA A 5 ARG HDx 1.0 . 4.78 29 24 A 5 ARG HA A 5 ARG HDy 1.0 . 4.78 30 25 A 6 ALA HB1 A 5 ARG HE 1.0 . 4.51 31 26 A 7 PHE H A 6 ALA HB1 1.0 . 3.78 32 27 A 6 ALA HB1 A 10 ILE HB 1.0 . 4.74 33 28 A 6 ALA HB1 A 8 VAL H 1.0 . 4.45 34 29 A 10 ILE H A 8 VAL HA 1.0 . 4.01 35 30 A 10 ILE H A 9 THR HA 1.0 . 2.96 36 31 A 5 ARG HDy A 5 ARG HBy 1.0 . 3.86 37 31 A 5 ARG HBy A 5 ARG HDx 1.0 . 3.86 38 32 A 8 VAL H A 7 PHE HBx 1.0 . 4.56 39 33 A 5 ARG HE A 5 ARG HBy 1.0 . 5.50 40 34 A 5 ARG HA A 5 ARG HE 1.0 . 4.52 41 35 A 7 PHE HD% A 7 PHE HZ 1.0 . 3.82 42 36 A 7 PHE H A 7 PHE HZ 1.0 . 5.50 43 37 A 5 ARG H A 5 ARG HGx 1.0 . 3.92 44 37 A 5 ARG H A 5 ARG HGy 1.0 . 3.92 45 38 A 5 ARG H A 5 ARG HBy 1.0 . 3.79 46 39 A 5 ARG H A 5 ARG HDx 1.0 . 5.17 47 39 A 5 ARG H A 5 ARG HDy 1.0 . 5.17 48 40 A 5 ARG H A 5 ARG HE 1.0 . 5.50 49 41 A 5 ARG H A 4 GLY HAx 1.0 . 2.98 50 41 A 5 ARG H A 4 GLY HAy 1.0 . 2.98 51 42 A 5 ARG H A 6 ALA H 1.0 . 3.71 52 43 A 9 THR HA A 9 THR HG21 1.0 . 3.27 53 44 A 10 ILE H A 9 THR HG21 1.0 . 3.98 54 45 A 9 THR HG21 A 9 THR H 1.0 . 3.92 55 46 A 9 THR H A 8 VAL HG11 1.0 . 3.69 56 46 A 8 VAL HG21 A 9 THR H 1.0 . 3.69 57 47 A 10 ILE H A 9 THR H 1.0 . 3.95 58 48 A 8 VAL H A 9 THR H 1.0 . 3.98 59 49 A 5 ARG HDy A 5 ARG HBx 1.0 . 3.86 60 49 A 5 ARG HBx A 5 ARG HDx 1.0 . 3.86 61 50 A 5 ARG HE A 5 ARG HBx 1.0 . 5.50 62 51 A 5 ARG H A 5 ARG HBx 1.0 . 3.79 63 52 A 10 ILE H A 10 ILE HG1y 1.0 . 4.68 64 53 A 10 ILE HG21 A 7 PHE HE% 1.0 . 4.65 65 54 A 7 PHE HA A 7 PHE HE% 1.0 . 4.89 66 55 A 7 PHE H A 7 PHE HE% 1.0 . 5.50 67 56 A 10 ILE HD11 A 7 PHE HE% 1.0 . 5.12 68 57 A 7 PHE HA A 8 VAL HB 1.0 . 5.22 69 58 A 9 THR H A 8 VAL HB 1.0 . 4.12 70 59 A 8 VAL H A 8 VAL HB 1.0 . 3.30 71 60 A 9 THR H A 9 THR HB 1.0 . 2.93 72 61 A 8 VAL HA A 8 VAL HG11 1.0 . 3.19 73 61 A 8 VAL HG21 A 8 VAL HA 1.0 . 3.19 74 62 A 3 PRO HA A 4 GLY HAx 1.0 . 4.45 75 62 A 4 GLY HAy A 3 PRO HA 1.0 . 4.45 76 63 A 10 ILE HG21 A 10 ILE HD11 1.0 . 2.40 77 64 A 10 ILE HD11 A 10 ILE H 1.0 . 4.75 78 65 A 10 ILE H A 10 ILE HB 1.0 . 3.87 79 66 A 10 ILE HB A 9 THR HG21 1.0 . 4.00 80 67 A 10 ILE HD11 A 10 ILE HB 1.0 . 3.73 81 68 A 6 ALA H A 5 ARG HBy 1.0 . 4.78 82 69 A 5 ARG HA A 6 ALA H 1.0 . 2.63 83 70 A 6 ALA H A 6 ALA HB1 1.0 . 2.84 84 71 A 6 ALA H A 5 ARG HBx 1.0 . 4.78 85 72 A 6 ALA H A 4 GLY HAx 1.0 . 4.53 86 72 A 6 ALA H A 4 GLY HAy 1.0 . 4.53 87 73 A 6 ALA H A 8 VAL HG11 1.0 . 5.50 88 73 A 6 ALA H A 8 VAL HG21 1.0 . 5.50 89 74 A 6 ALA H A 10 ILE HG21 1.0 . 5.50 90 75 A 8 VAL H A 8 VAL HG11 1.0 . 3.37 91 75 A 8 VAL H A 8 VAL HG21 1.0 . 3.37 92 76 A 10 ILE HG21 A 8 VAL H 1.0 . 3.80 93 77 A 8 VAL H A 7 PHE HA 1.0 . 2.84 94 78 A 7 PHE H A 8 VAL H 1.0 . 3.69 95 79 A 8 VAL H A 6 ALA HA 1.0 . 4.31 96 80 A 4 GLY H A 3 PRO HGy 1.0 . 4.12 97 80 A 4 GLY H A 3 PRO HGx 1.0 . 4.12 98 81 A 4 GLY H A 3 PRO HDy 1.0 . 4.40 99 81 A 4 GLY H A 3 PRO HDx 1.0 . 4.40 100 82 A 5 ARG H A 5 ARG HBy 1.0 . 3.28 101 82 A 5 ARG H A 5 ARG HBx 1.0 . 3.28 102 83 A 6 ALA H A 5 ARG HBy 1.0 . 4.08 103 83 A 6 ALA H A 5 ARG HBx 1.0 . 4.08 104 84 A 7 PHE H A 7 PHE HBx 1.0 . 3.08 105 84 A 7 PHE H A 7 PHE HBy 1.0 . 3.08 106 85 A 8 VAL H A 7 PHE HBx 1.0 . 4.00 107 85 A 8 VAL H A 7 PHE HBy 1.0 . 4.00 108 86 A 7 PHE HBy A 8 VAL HG11 1.0 . 5.15 109 86 A 7 PHE HBx A 8 VAL HG11 1.0 . 5.15 110 86 A 8 VAL HG21 A 7 PHE HBx 1.0 . 5.15 111 86 A 8 VAL HG21 A 7 PHE HBy 1.0 . 5.15 112 87 A 10 ILE HG21 A 7 PHE HBx 1.0 . 5.34 113 87 A 10 ILE HG21 A 7 PHE HBy 1.0 . 5.34 114 88 A 10 ILE HG21 A 10 ILE HG1x 1.0 . 2.78 115 88 A 10 ILE HG21 A 10 ILE HG1y 1.0 . 2.78 stop_ 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 ppm . . 3300.701 . . . . 2 Hz . . 2000.000 . folded . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _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 . . 8600.301 . . . . 2 Hz . . 21116.518 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _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 ppm . . 10.5 . . . . 2 ppm . . 10.5 . . . . stop_ save_