data_nef_c25537_2n0v 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 2N0V 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 9 MET C 1 10 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 SER start . . 2 A 2 VAL middle . . 3 A 3 ALA middle . . 4 A 4 GLY middle . false 5 A 5 ARG middle . . 6 A 6 ALA middle . . 7 A 7 GLN middle . . 8 A 8 GLY middle . false 9 A 9 MET middle . . 10 A 10 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 SER H1 H 1 7.7800 0.0000 A 1 SER HA H 1 4.3300 0.0000 A 1 SER HB2 H 1 4.2700 0.0000 A 1 SER HG H 1 4.0600 0.0000 A 2 VAL H H 1 8.6400 0.0000 A 2 VAL HA H 1 3.9500 0.0000 A 2 VAL HB H 1 2.1700 0.0000 A 2 VAL HG1% H 1 0.9600 0.0000 A 2 VAL HG2% H 1 1.0300 0.0000 A 3 ALA H H 1 8.2300 0.0000 A 3 ALA HA H 1 4.1600 0.0000 A 3 ALA HB% H 1 1.3900 0.0000 A 4 GLY H H 1 8.0900 0.0000 A 4 GLY HA2 H 1 3.8900 0.0000 A 5 ARG H H 1 7.9500 0.0000 A 5 ARG HA H 1 4.2200 0.0000 A 5 ARG HB2 H 1 1.7200 0.0000 A 5 ARG HE H 1 7.1600 0.0000 A 5 ARG HG2 H 1 1.7100 0.0000 A 6 ALA H H 1 8.1500 0.0000 A 6 ALA HA H 1 4.2400 0.0000 A 6 ALA HB% H 1 1.4200 0.0000 A 7 GLN H H 1 7.9200 0.0000 A 7 GLN HA H 1 4.2500 0.0000 A 7 GLN HB2 H 1 2.0300 0.0000 A 8 GLY H H 1 8.1400 0.0000 A 8 GLY HA2 H 1 3.9600 0.0000 A 9 MET H H 1 7.7900 0.0000 A 9 MET HA H 1 4.2700 0.0000 A 9 MET HB2 H 1 1.9900 0.0000 A 9 MET HG2 H 1 2.5400 0.0000 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 1 SER H1 A 1 SER HA 1.0 1.8 5.5 2 2 A 3 ALA HB% A 1 SER HB2 1.0 1.8 5.5 3 2 A 1 SER HBy A 3 ALA HB% 1.0 1.8 5.5 4 3 A 1 SER HG A 1 SER HB2 1.0 1.8 3.9 5 3 A 1 SER HBy A 1 SER HG 1.0 1.8 3.9 6 4 A 2 VAL HB A 1 SER HB2 1.0 1.8 5.5 7 4 A 1 SER HBy A 2 VAL HB 1.0 1.8 5.5 8 5 A 2 VAL H A 2 VAL HA 1.0 1.8 3.9 9 6 A 2 VAL HB A 2 VAL H 1.0 1.8 3.3 10 7 A 2 VAL H A 2 VAL HG1% 1.0 1.8 3.9 11 7 A 2 VAL H A 2 VAL HG2% 1.0 1.8 3.9 12 8 A 1 SER HA A 2 VAL H 1.0 1.8 3.9 13 9 A 2 VAL H A 1 SER HB2 1.0 1.8 3.9 14 9 A 1 SER HBy A 2 VAL H 1.0 1.8 3.9 15 10 A 1 SER HG A 2 VAL H 1.0 1.8 5.5 16 11 A 2 VAL HA A 2 VAL HG1% 1.0 1.8 3.9 17 11 A 2 VAL HA A 2 VAL HG2% 1.0 1.8 3.9 18 12 A 2 VAL HB A 2 VAL HA 1.0 1.8 5.5 19 13 A 2 VAL HB A 1 SER HB2 1.0 1.8 5.5 20 13 A 1 SER HBy A 2 VAL HB 1.0 1.8 5.5 21 14 A 2 VAL HB A 2 VAL HA 1.0 1.8 5.5 22 15 A 2 VAL HA A 2 VAL HG1% 1.0 1.8 3.9 23 15 A 2 VAL HA A 2 VAL HG2% 1.0 1.8 3.9 24 16 A 2 VAL HA A 5 ARG H 1.0 1.8 3.9 25 17 A 2 VAL HB A 2 VAL H 1.0 1.8 3.3 26 18 A 2 VAL HB A 3 ALA H 1.0 1.8 3.9 27 19 A 2 VAL H A 2 VAL HG1% 1.0 1.8 3.9 28 19 A 2 VAL H A 2 VAL HG2% 1.0 1.8 3.9 29 20 A 3 ALA H A 2 VAL HG1% 1.0 1.8 5.5 30 20 A 2 VAL HG2% A 3 ALA H 1.0 1.8 5.5 31 21 A 4 GLY H A 2 VAL HG1% 1.0 1.8 5.5 32 21 A 2 VAL HG2% A 4 GLY H 1.0 1.8 5.5 33 22 A 2 VAL H A 2 VAL HA 1.0 1.8 3.9 34 23 A 2 VAL H A 3 ALA H 1.0 1.8 3.9 35 24 A 3 ALA H A 3 ALA HA 1.0 1.8 3.3 36 25 A 3 ALA HB% A 3 ALA H 1.0 1.8 3.3 37 26 A 1 SER HA A 3 ALA H 1.0 1.8 5.5 38 27 A 3 ALA H A 1 SER HB2 1.0 1.8 5.5 39 27 A 1 SER HBy A 3 ALA H 1.0 1.8 5.5 40 28 A 2 VAL HA A 3 ALA H 1.0 1.8 3.9 41 29 A 2 VAL HB A 3 ALA H 1.0 1.8 3.9 42 30 A 3 ALA H A 2 VAL HG1% 1.0 1.8 5.5 43 30 A 2 VAL HG2% A 3 ALA H 1.0 1.8 5.5 44 31 A 3 ALA HB% A 1 SER HB2 1.0 1.8 5.5 45 31 A 1 SER HBy A 3 ALA HB% 1.0 1.8 5.5 46 32 A 3 ALA HB% A 3 ALA H 1.0 1.8 3.3 47 33 A 3 ALA HB% A 5 ARG H 1.0 1.8 5.5 48 34 A 3 ALA H A 3 ALA HA 1.0 1.8 3.3 49 35 A 2 VAL H A 3 ALA H 1.0 1.8 3.9 50 36 A 3 ALA H A 4 GLY H 1.0 1.8 3.9 51 37 A 1 SER HG A 3 ALA H 1.0 1.8 5.5 52 38 A 4 GLY H A 4 GLY HA2 1.0 1.8 3.3 53 38 A 4 GLY H A 4 GLY HAy 1.0 1.8 3.3 54 39 A 4 GLY H A 3 ALA HA 1.0 1.8 3.9 55 40 A 4 GLY H A 1 SER HB2 1.0 1.8 5.5 56 40 A 1 SER HBy A 4 GLY H 1.0 1.8 5.5 57 41 A 2 VAL HB A 4 GLY H 1.0 1.8 5.5 58 42 A 4 GLY H A 6 ALA HB% 1.0 1.8 5.5 59 43 A 4 GLY H A 2 VAL HG1% 1.0 1.8 5.5 60 43 A 2 VAL HG2% A 4 GLY H 1.0 1.8 5.5 61 44 A 5 ARG H A 4 GLY H 1.0 1.8 3.3 62 45 A 3 ALA H A 4 GLY H 1.0 1.8 3.9 63 46 A 1 SER HA A 4 GLY H 1.0 1.8 5.5 64 47 A 1 SER HG A 4 GLY H 1.0 1.8 5.5 65 48 A 2 VAL HA A 4 GLY H 1.0 1.8 3.9 66 49 A 5 ARG H A 5 ARG HA 1.0 1.8 3.9 67 50 A 5 ARG H A 5 ARG HB2 1.0 1.8 5.5 68 50 A 5 ARG H A 5 ARG HBy 1.0 1.8 5.5 69 51 A 5 ARG H A 5 ARG HG2 1.0 1.8 5.5 70 51 A 5 ARG H A 5 ARG HGy 1.0 1.8 5.5 71 52 A 5 ARG HA A 5 ARG HE 1.0 1.8 5.5 72 53 A 5 ARG HE A 5 ARG HG2 1.0 1.8 3.3 73 53 A 5 ARG HGy A 5 ARG HE 1.0 1.8 3.3 74 54 A 5 ARG HE A 5 ARG HB2 1.0 1.8 3.9 75 54 A 5 ARG HBy A 5 ARG HE 1.0 1.8 3.9 76 55 A 2 VAL HA A 5 ARG H 1.0 1.8 3.9 77 56 A 5 ARG H A 6 ALA HB% 1.0 1.8 5.5 78 57 A 3 ALA HB% A 5 ARG H 1.0 1.8 5.5 79 58 A 5 ARG HB2 A 5 ARG HG2 1.0 1.8 3.3 80 58 A 5 ARG HBy A 5 ARG HG2 1.0 1.8 3.3 81 58 A 5 ARG HGy A 5 ARG HB2 1.0 1.8 3.3 82 58 A 5 ARG HBy A 5 ARG HGy 1.0 1.8 3.3 83 59 A 5 ARG HBy A 8 GLY HA2 1.0 1.8 5.5 84 59 A 5 ARG HB2 A 8 GLY HA2 1.0 1.8 5.5 85 59 A 8 GLY HAy A 5 ARG HB2 1.0 1.8 5.5 86 59 A 5 ARG HBy A 8 GLY HAy 1.0 1.8 5.5 87 60 A 5 ARG HBy A 5 ARG HG2 1.0 1.8 3.3 88 60 A 5 ARG HB2 A 5 ARG HG2 1.0 1.8 3.3 89 60 A 5 ARG HGy A 5 ARG HB2 1.0 1.8 3.3 90 60 A 5 ARG HBy A 5 ARG HGy 1.0 1.8 3.3 91 61 A 5 ARG HG2 A 8 GLY HA2 1.0 1.8 5.5 92 61 A 5 ARG HGy A 8 GLY HA2 1.0 1.8 5.5 93 61 A 8 GLY HAy A 5 ARG HG2 1.0 1.8 5.5 94 61 A 5 ARG HGy A 8 GLY HAy 1.0 1.8 5.5 95 62 A 5 ARG HE A 5 ARG HG2 1.0 1.8 3.3 96 62 A 5 ARG HGy A 5 ARG HE 1.0 1.8 3.3 97 63 A 5 ARG H A 5 ARG HB2 1.0 1.8 5.5 98 63 A 5 ARG H A 5 ARG HBy 1.0 1.8 5.5 99 64 A 8 GLY H A 5 ARG HB2 1.0 1.8 5.5 100 64 A 5 ARG HBy A 8 GLY H 1.0 1.8 5.5 101 65 A 5 ARG HE A 5 ARG HB2 1.0 1.8 3.9 102 65 A 5 ARG HBy A 5 ARG HE 1.0 1.8 3.9 103 66 A 5 ARG H A 4 GLY H 1.0 1.8 3.3 104 67 A 5 ARG H A 3 ALA HA 1.0 1.8 5.5 105 68 A 1 SER HA A 5 ARG H 1.0 1.8 5.5 106 69 A 5 ARG H A 4 GLY HA2 1.0 1.8 5.5 107 69 A 5 ARG H A 4 GLY HAy 1.0 1.8 5.5 108 70 A 6 ALA H A 6 ALA HA 1.0 1.8 3.3 109 71 A 2 VAL HA A 6 ALA H 1.0 1.8 5.5 110 72 A 6 ALA H A 5 ARG HB2 1.0 1.8 5.5 111 72 A 5 ARG HBy A 6 ALA H 1.0 1.8 5.5 112 73 A 6 ALA HA A 7 GLN H 1.0 1.8 5.5 113 74 A 6 ALA HB% A 8 GLY H 1.0 1.8 5.5 114 75 A 4 GLY H A 6 ALA HB% 1.0 1.8 5.5 115 76 A 5 ARG H A 6 ALA HB% 1.0 1.8 5.5 116 77 A 3 ALA H A 6 ALA H 1.0 1.8 5.5 117 78 A 3 ALA HA A 6 ALA H 1.0 1.8 5.5 118 79 A 6 ALA H A 4 GLY HA2 1.0 1.8 5.5 119 79 A 4 GLY HAy A 6 ALA H 1.0 1.8 5.5 120 80 A 5 ARG HA A 6 ALA H 1.0 1.8 3.9 121 81 A 5 ARG H A 6 ALA H 1.0 1.8 3.3 122 82 A 7 GLN H A 7 GLN HA 1.0 1.8 3.3 123 83 A 7 GLN H A 7 GLN HB2 1.0 1.8 5.5 124 83 A 7 GLN H A 7 GLN HBy 1.0 1.8 5.5 125 84 A 7 GLN HB2 A 7 GLN HGx 1.0 1.8 5.5 126 84 A 7 GLN HBy A 7 GLN HGx 1.0 1.8 5.5 127 84 A 7 GLN HGy A 7 GLN HB2 1.0 1.8 5.5 128 84 A 7 GLN HBy A 7 GLN HGy 1.0 1.8 5.5 129 85 A 7 GLN HA A 7 GLN HB2 1.0 1.8 5.5 130 85 A 7 GLN HA A 7 GLN HBy 1.0 1.8 5.5 131 86 A 7 GLN H A 7 GLN HA 1.0 1.8 3.3 132 87 A 6 ALA H A 7 GLN H 1.0 1.8 3.9 133 88 A 7 GLN H A 9 MET H 1.0 1.8 5.5 134 89 A 6 ALA HA A 7 GLN H 1.0 1.8 5.5 135 90 A 5 ARG HA A 7 GLN H 1.0 1.8 5.5 136 91 A 3 ALA HA A 7 GLN H 1.0 1.8 5.5 137 92 A 8 GLY H A 8 GLY HA2 1.0 1.8 3.3 138 92 A 8 GLY HAy A 8 GLY H 1.0 1.8 3.3 139 93 A 6 ALA HB% A 8 GLY H 1.0 1.8 5.5 140 94 A 8 GLY H A 7 GLN HA 1.0 1.8 5.5 141 95 A 8 GLY H A 7 GLN HB2 1.0 1.8 5.5 142 95 A 8 GLY H A 7 GLN HBy 1.0 1.8 5.5 143 96 A 8 GLY H A 5 ARG HB2 1.0 1.8 5.5 144 96 A 5 ARG HBy A 8 GLY H 1.0 1.8 5.5 145 97 A 9 MET H A 8 GLY HA2 1.0 1.8 5.5 146 97 A 8 GLY HAy A 9 MET H 1.0 1.8 5.5 147 98 A 8 GLY H A 8 GLY HA2 1.0 1.8 3.3 148 98 A 8 GLY HAy A 8 GLY H 1.0 1.8 3.3 149 99 A 8 GLY H A 7 GLN H 1.0 1.8 3.3 150 100 A 8 GLY H A 9 MET H 1.0 1.8 5.5 151 101 A 5 ARG HA A 8 GLY H 1.0 1.8 5.5 152 102 A 8 GLY H A 6 ALA HA 1.0 1.8 5.5 153 103 A 8 GLY H A 4 GLY HA2 1.0 1.8 5.5 154 103 A 4 GLY HAy A 8 GLY H 1.0 1.8 5.5 155 104 A 9 MET H A 9 MET HA 1.0 1.8 5.5 156 105 A 9 MET H A 9 MET HG2 1.0 1.8 5.5 157 105 A 9 MET H A 9 MET HGy 1.0 1.8 5.5 158 106 A 9 MET H A 9 MET HB2 1.0 1.8 5.5 159 106 A 9 MET H A 9 MET HBy 1.0 1.8 5.5 160 107 A 9 MET H A 7 GLN HB2 1.0 1.8 5.5 161 107 A 7 GLN HBy A 9 MET H 1.0 1.8 5.5 162 108 A 9 MET H A 8 GLY HA2 1.0 1.8 5.5 163 108 A 8 GLY HAy A 9 MET H 1.0 1.8 5.5 164 109 A 9 MET H A 5 ARG HB2 1.0 1.8 5.5 165 109 A 5 ARG HBy A 9 MET H 1.0 1.8 5.5 166 110 A 9 MET HBy A 9 MET HG2 1.0 1.8 5.5 167 110 A 9 MET HB2 A 9 MET HG2 1.0 1.8 5.5 168 110 A 9 MET HGy A 9 MET HB2 1.0 1.8 5.5 169 110 A 9 MET HGy A 9 MET HBy 1.0 1.8 5.5 170 111 A 7 GLN HBy A 9 MET HG2 1.0 1.8 5.5 171 111 A 7 GLN HB2 A 9 MET HG2 1.0 1.8 5.5 172 111 A 9 MET HGy A 7 GLN HB2 1.0 1.8 5.5 173 111 A 7 GLN HBy A 9 MET HGy 1.0 1.8 5.5 174 112 A 7 GLN HGy A 9 MET HB2 1.0 1.8 5.5 175 112 A 7 GLN HGx A 9 MET HB2 1.0 1.8 5.5 176 112 A 9 MET HBy A 7 GLN HGx 1.0 1.8 5.5 177 112 A 7 GLN HGy A 9 MET HBy 1.0 1.8 5.5 178 113 A 9 MET HBy A 9 MET HG2 1.0 1.8 5.5 179 113 A 9 MET HB2 A 9 MET HG2 1.0 1.8 5.5 180 113 A 9 MET HGy A 9 MET HB2 1.0 1.8 5.5 181 113 A 9 MET HGy A 9 MET HBy 1.0 1.8 5.5 182 114 A 9 MET H A 9 MET HG2 1.0 1.8 5.5 183 114 A 9 MET H A 9 MET HGy 1.0 1.8 5.5 184 115 A 9 MET H A 9 MET HB2 1.0 1.8 5.5 185 115 A 9 MET H A 9 MET HBy 1.0 1.8 5.5 186 116 A 8 GLY H A 9 MET H 1.0 1.8 5.5 187 117 A 7 GLN HA A 9 MET H 1.0 1.8 5.5 188 118 A 5 ARG HA A 9 MET H 1.0 1.8 5.5 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_type . _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 2 ppm 1H 16 . 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_type . _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 2 ppm 1H 16 . stop_ save_