data_51889 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51889 _Entry.Title ; Larimichthys crocea IFNd ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-03-29 _Entry.Accession_date 2023-03-29 _Entry.Last_release_date 2023-03-29 _Entry.Original_release_date 2023-03-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jingjie Chen . . . . 51889 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID spectral_peak_list 1 51889 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-04-03 . original BMRB . 51889 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51889 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H and 15N Assigned Chemical Shifts for Larimichthys crocea interferon d ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Immunol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jingjie Chen . . . . 51889 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51889 _Assembly.ID 1 _Assembly.Name interferon _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 interferon 1 $entity_1 . . yes native no no . . . 51889 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51889 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLSRILFVCLSLSLYSAGSS LSCRWVDHKFRQHSETSLDL LNTMANNSTNSTEDAQVEDT VAFPNDLYSQASKASAEDKL HFTVQVLEEAAALFEEDHSN ASWEENTVENFVNVVNQQAD GLRSCTGSHGHKKKNKKLHM YFKRLSSHVLKKMSHSAEAW ELIRKEIRTHLMRADQLVSS LRNTN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID antiviral 51889 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51889 1 2 . LEU . 51889 1 3 . SER . 51889 1 4 . ARG . 51889 1 5 . ILE . 51889 1 6 . LEU . 51889 1 7 . PHE . 51889 1 8 . VAL . 51889 1 9 . CYS . 51889 1 10 . LEU . 51889 1 11 . SER . 51889 1 12 . LEU . 51889 1 13 . SER . 51889 1 14 . LEU . 51889 1 15 . TYR . 51889 1 16 . SER . 51889 1 17 . ALA . 51889 1 18 . GLY . 51889 1 19 . SER . 51889 1 20 . SER . 51889 1 21 . LEU . 51889 1 22 . SER . 51889 1 23 . CYS . 51889 1 24 . ARG . 51889 1 25 . TRP . 51889 1 26 . VAL . 51889 1 27 . ASP . 51889 1 28 . HIS . 51889 1 29 . LYS . 51889 1 30 . PHE . 51889 1 31 . ARG . 51889 1 32 . GLN . 51889 1 33 . HIS . 51889 1 34 . SER . 51889 1 35 . GLU . 51889 1 36 . THR . 51889 1 37 . SER . 51889 1 38 . LEU . 51889 1 39 . ASP . 51889 1 40 . LEU . 51889 1 41 . LEU . 51889 1 42 . ASN . 51889 1 43 . THR . 51889 1 44 . MET . 51889 1 45 . ALA . 51889 1 46 . ASN . 51889 1 47 . ASN . 51889 1 48 . SER . 51889 1 49 . THR . 51889 1 50 . ASN . 51889 1 51 . SER . 51889 1 52 . THR . 51889 1 53 . GLU . 51889 1 54 . ASP . 51889 1 55 . ALA . 51889 1 56 . GLN . 51889 1 57 . VAL . 51889 1 58 . GLU . 51889 1 59 . ASP . 51889 1 60 . THR . 51889 1 61 . VAL . 51889 1 62 . ALA . 51889 1 63 . PHE . 51889 1 64 . PRO . 51889 1 65 . ASN . 51889 1 66 . ASP . 51889 1 67 . LEU . 51889 1 68 . TYR . 51889 1 69 . SER . 51889 1 70 . GLN . 51889 1 71 . ALA . 51889 1 72 . SER . 51889 1 73 . LYS . 51889 1 74 . ALA . 51889 1 75 . SER . 51889 1 76 . ALA . 51889 1 77 . GLU . 51889 1 78 . ASP . 51889 1 79 . LYS . 51889 1 80 . LEU . 51889 1 81 . HIS . 51889 1 82 . PHE . 51889 1 83 . THR . 51889 1 84 . VAL . 51889 1 85 . GLN . 51889 1 86 . VAL . 51889 1 87 . LEU . 51889 1 88 . GLU . 51889 1 89 . GLU . 51889 1 90 . ALA . 51889 1 91 . ALA . 51889 1 92 . ALA . 51889 1 93 . LEU . 51889 1 94 . PHE . 51889 1 95 . GLU . 51889 1 96 . GLU . 51889 1 97 . ASP . 51889 1 98 . HIS . 51889 1 99 . SER . 51889 1 100 . ASN . 51889 1 101 . ALA . 51889 1 102 . SER . 51889 1 103 . TRP . 51889 1 104 . GLU . 51889 1 105 . GLU . 51889 1 106 . ASN . 51889 1 107 . THR . 51889 1 108 . VAL . 51889 1 109 . GLU . 51889 1 110 . ASN . 51889 1 111 . PHE . 51889 1 112 . VAL . 51889 1 113 . ASN . 51889 1 114 . VAL . 51889 1 115 . VAL . 51889 1 116 . ASN . 51889 1 117 . GLN . 51889 1 118 . GLN . 51889 1 119 . ALA . 51889 1 120 . ASP . 51889 1 121 . GLY . 51889 1 122 . LEU . 51889 1 123 . ARG . 51889 1 124 . SER . 51889 1 125 . CYS . 51889 1 126 . THR . 51889 1 127 . GLY . 51889 1 128 . SER . 51889 1 129 . HIS . 51889 1 130 . GLY . 51889 1 131 . HIS . 51889 1 132 . LYS . 51889 1 133 . LYS . 51889 1 134 . LYS . 51889 1 135 . ASN . 51889 1 136 . LYS . 51889 1 137 . LYS . 51889 1 138 . LEU . 51889 1 139 . HIS . 51889 1 140 . MET . 51889 1 141 . TYR . 51889 1 142 . PHE . 51889 1 143 . LYS . 51889 1 144 . ARG . 51889 1 145 . LEU . 51889 1 146 . SER . 51889 1 147 . SER . 51889 1 148 . HIS . 51889 1 149 . VAL . 51889 1 150 . LEU . 51889 1 151 . LYS . 51889 1 152 . LYS . 51889 1 153 . MET . 51889 1 154 . SER . 51889 1 155 . HIS . 51889 1 156 . SER . 51889 1 157 . ALA . 51889 1 158 . GLU . 51889 1 159 . ALA . 51889 1 160 . TRP . 51889 1 161 . GLU . 51889 1 162 . LEU . 51889 1 163 . ILE . 51889 1 164 . ARG . 51889 1 165 . LYS . 51889 1 166 . GLU . 51889 1 167 . ILE . 51889 1 168 . ARG . 51889 1 169 . THR . 51889 1 170 . HIS . 51889 1 171 . LEU . 51889 1 172 . MET . 51889 1 173 . ARG . 51889 1 174 . ALA . 51889 1 175 . ASP . 51889 1 176 . GLN . 51889 1 177 . LEU . 51889 1 178 . VAL . 51889 1 179 . SER . 51889 1 180 . SER . 51889 1 181 . LEU . 51889 1 182 . ARG . 51889 1 183 . ASN . 51889 1 184 . THR . 51889 1 185 . ASN . 51889 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51889 1 . LEU 2 2 51889 1 . SER 3 3 51889 1 . ARG 4 4 51889 1 . ILE 5 5 51889 1 . LEU 6 6 51889 1 . PHE 7 7 51889 1 . VAL 8 8 51889 1 . CYS 9 9 51889 1 . LEU 10 10 51889 1 . SER 11 11 51889 1 . LEU 12 12 51889 1 . SER 13 13 51889 1 . LEU 14 14 51889 1 . TYR 15 15 51889 1 . SER 16 16 51889 1 . ALA 17 17 51889 1 . GLY 18 18 51889 1 . SER 19 19 51889 1 . SER 20 20 51889 1 . LEU 21 21 51889 1 . SER 22 22 51889 1 . CYS 23 23 51889 1 . ARG 24 24 51889 1 . TRP 25 25 51889 1 . VAL 26 26 51889 1 . ASP 27 27 51889 1 . HIS 28 28 51889 1 . LYS 29 29 51889 1 . PHE 30 30 51889 1 . ARG 31 31 51889 1 . GLN 32 32 51889 1 . HIS 33 33 51889 1 . SER 34 34 51889 1 . GLU 35 35 51889 1 . THR 36 36 51889 1 . SER 37 37 51889 1 . LEU 38 38 51889 1 . ASP 39 39 51889 1 . LEU 40 40 51889 1 . LEU 41 41 51889 1 . ASN 42 42 51889 1 . THR 43 43 51889 1 . MET 44 44 51889 1 . ALA 45 45 51889 1 . ASN 46 46 51889 1 . ASN 47 47 51889 1 . SER 48 48 51889 1 . THR 49 49 51889 1 . ASN 50 50 51889 1 . SER 51 51 51889 1 . THR 52 52 51889 1 . GLU 53 53 51889 1 . ASP 54 54 51889 1 . ALA 55 55 51889 1 . GLN 56 56 51889 1 . VAL 57 57 51889 1 . GLU 58 58 51889 1 . ASP 59 59 51889 1 . THR 60 60 51889 1 . VAL 61 61 51889 1 . ALA 62 62 51889 1 . PHE 63 63 51889 1 . PRO 64 64 51889 1 . ASN 65 65 51889 1 . ASP 66 66 51889 1 . LEU 67 67 51889 1 . TYR 68 68 51889 1 . SER 69 69 51889 1 . GLN 70 70 51889 1 . ALA 71 71 51889 1 . SER 72 72 51889 1 . LYS 73 73 51889 1 . ALA 74 74 51889 1 . SER 75 75 51889 1 . ALA 76 76 51889 1 . GLU 77 77 51889 1 . ASP 78 78 51889 1 . LYS 79 79 51889 1 . LEU 80 80 51889 1 . HIS 81 81 51889 1 . PHE 82 82 51889 1 . THR 83 83 51889 1 . VAL 84 84 51889 1 . GLN 85 85 51889 1 . VAL 86 86 51889 1 . LEU 87 87 51889 1 . GLU 88 88 51889 1 . GLU 89 89 51889 1 . ALA 90 90 51889 1 . ALA 91 91 51889 1 . ALA 92 92 51889 1 . LEU 93 93 51889 1 . PHE 94 94 51889 1 . GLU 95 95 51889 1 . GLU 96 96 51889 1 . ASP 97 97 51889 1 . HIS 98 98 51889 1 . SER 99 99 51889 1 . ASN 100 100 51889 1 . ALA 101 101 51889 1 . SER 102 102 51889 1 . TRP 103 103 51889 1 . GLU 104 104 51889 1 . GLU 105 105 51889 1 . ASN 106 106 51889 1 . THR 107 107 51889 1 . VAL 108 108 51889 1 . GLU 109 109 51889 1 . ASN 110 110 51889 1 . PHE 111 111 51889 1 . VAL 112 112 51889 1 . ASN 113 113 51889 1 . VAL 114 114 51889 1 . VAL 115 115 51889 1 . ASN 116 116 51889 1 . GLN 117 117 51889 1 . GLN 118 118 51889 1 . ALA 119 119 51889 1 . ASP 120 120 51889 1 . GLY 121 121 51889 1 . LEU 122 122 51889 1 . ARG 123 123 51889 1 . SER 124 124 51889 1 . CYS 125 125 51889 1 . THR 126 126 51889 1 . GLY 127 127 51889 1 . SER 128 128 51889 1 . HIS 129 129 51889 1 . GLY 130 130 51889 1 . HIS 131 131 51889 1 . LYS 132 132 51889 1 . LYS 133 133 51889 1 . LYS 134 134 51889 1 . ASN 135 135 51889 1 . LYS 136 136 51889 1 . LYS 137 137 51889 1 . LEU 138 138 51889 1 . HIS 139 139 51889 1 . MET 140 140 51889 1 . TYR 141 141 51889 1 . PHE 142 142 51889 1 . LYS 143 143 51889 1 . ARG 144 144 51889 1 . LEU 145 145 51889 1 . SER 146 146 51889 1 . SER 147 147 51889 1 . HIS 148 148 51889 1 . VAL 149 149 51889 1 . LEU 150 150 51889 1 . LYS 151 151 51889 1 . LYS 152 152 51889 1 . MET 153 153 51889 1 . SER 154 154 51889 1 . HIS 155 155 51889 1 . SER 156 156 51889 1 . ALA 157 157 51889 1 . GLU 158 158 51889 1 . ALA 159 159 51889 1 . TRP 160 160 51889 1 . GLU 161 161 51889 1 . LEU 162 162 51889 1 . ILE 163 163 51889 1 . ARG 164 164 51889 1 . LYS 165 165 51889 1 . GLU 166 166 51889 1 . ILE 167 167 51889 1 . ARG 168 168 51889 1 . THR 169 169 51889 1 . HIS 170 170 51889 1 . LEU 171 171 51889 1 . MET 172 172 51889 1 . ARG 173 173 51889 1 . ALA 174 174 51889 1 . ASP 175 175 51889 1 . GLN 176 176 51889 1 . LEU 177 177 51889 1 . VAL 178 178 51889 1 . SER 179 179 51889 1 . SER 180 180 51889 1 . LEU 181 181 51889 1 . ARG 182 182 51889 1 . ASN 183 183 51889 1 . THR 184 184 51889 1 . ASN 185 185 51889 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51889 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 215358 organism . 'Larimichthys crocea' 'large yellow croaker' . . Eukaryota Metazoa Larimichthys crocea . . . . . . . . . . . . . 51889 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51889 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28a . . . 51889 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51889 _Sample.ID 1 _Sample.Name LcIFNd _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 mM NaCl, 50 mM Tris-HCl' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '50% H2O/50% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 interferon '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 500 . . mM . . . . 51889 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51889 1 3 Tris-HCl 'natural abundance' . . . . . . 50 . . mM . . . . 51889 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51889 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room temperature' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 51889 1 temperature 298.15 . K 51889 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51889 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51889 1 collection . 51889 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51889 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800 two' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51889 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51889 1 2 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51889 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 51889 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name '1H-15N HSQC' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 ?-? 126.195 10.196 ?-? 129.567 10.141 ?-? 130.190 9.065 ?-? 123.278 9.085 ?-? 125.494 8.931 ?-? 108.318 9.342 ?-? 109.303 7.039 ?-? 116.123 8.657 ?-? 122.805 8.252 ?-? 114.867 8.642 ?-? 114.183 8.463 ?-? 122.439 8.311 ?-? 120.113 8.649 ?-? 117.230 8.265 ?-? 118.687 8.548 ?-? 118.860 8.454 ?-? 115.479 8.235 ?-? 115.243 7.969 ?-? 117.006 7.989 ?-? 113.166 8.067 ?-? 114.045 7.933 ?-? 115.644 7.877 ?-? 115.648 7.288 ?-? 113.633 7.106 ?-? 113.175 7.109 ?-? 114.893 6.600 ?-? 108.778 7.042 ?-? 110.386 6.823 ?-? 113.699 7.811 ?-? 113.175 7.754 ?-? 112.813 8.076 ?-? 113.366 8.175 ?-? 113.327 8.151 ?-? 112.567 7.663 ?-? 122.079 8.428 ?-? 122.051 8.378 ?-? 113.134 7.662 ?-? 112.979 7.677 ?-? 113.324 7.636 ?-? 113.204 7.633 ?-? 113.089 7.536 ?-? 112.951 7.606 ?-? 112.823 7.602 ?-? 112.601 7.545 ?-? 111.812 7.604 ?-? 112.097 7.673 ?-? 111.892 7.673 ?-? 112.490 7.606 ?-? 112.625 7.755 ?-? 111.352 7.605 ?-? 110.936 7.533 ?-? 111.439 7.532 ?-? 111.814 7.478 ?-? 110.880 7.444 ?-? 111.346 7.479 ?-? 111.781 7.410 ?-? 111.316 7.412 ?-? 110.968 7.350 ?-? 111.258 7.314 ?-? 111.894 7.308 ?-? 111.775 7.083 ?-? 111.225 7.085 ?-? 110.941 6.821 ?-? 111.214 6.849 ?-? 111.404 6.931 ?-? 111.899 6.929 ?-? 111.801 6.787 ?-? 111.409 6.789 ?-? 112.457 6.910 ?-? 112.604 6.954 ?-? 113.137 6.951 ?-? 112.957 6.920 ?-? 114.043 6.948 ?-? 113.698 6.968 ?-? 113.021 6.849 ?-? 112.950 6.820 ?-? 111.124 6.456 ?-? 111.343 6.606 ?-? 112.833 6.786 ?-? 112.503 6.848 ?-? 112.442 6.825 ?-? 113.287 6.741 ?-? 113.736 7.450 ?-? 118.101 7.849 ?-? 119.209 7.773 ?-? 121.331 7.992 ?-? 121.782 8.022 ?-? 120.218 8.038 ?-? 121.436 8.473 ?-? 121.104 8.344 ?-? 120.597 8.378 ?-? 121.297 8.249 ?-? 119.347 8.434 ?-? 112.690 6.976 ?-? 121.788 8.405 ?-? 109.320 8.196 ?-? 120.841 8.427 ?-? 120.712 8.962 T23N-H 116.461 8.189 T23N-H 116.668 8.406 M24N-H 119.713 7.348 A25N-H 121.495 7.175 N26N-H 119.623 8.158 N27N-H 123.174 8.056 S31N-H 115.892 8.299 T32N-H 115.603 8.293 E33N-H 122.536 8.375 D34N-H 121.105 8.311 A35N-H 124.173 8.105 Q36N-H 119.313 8.387 V37N-H 121.289 8.390 E38N-H 122.972 8.532 D39N-H 119.457 8.173 T40N-H 112.911 7.934 V41N-H 120.679 8.123 A42N-H 128.458 7.962 F43N-H 125.043 8.898 D46N-H 116.782 8.203 L47N-H 120.268 7.667 Y48N-H 118.328 7.574 S49N-H 117.531 8.678 Q50N-H 120.903 7.841 A51N-H 122.605 7.544 S52N-H 110.731 7.958 K53N-H 118.786 7.047 A54N-H 124.336 7.282 S55N-H 114.618 8.777 A56N-H 123.472 8.831 E57N-H 114.959 8.789 D58N-H 120.035 7.681 K59N-H 123.758 8.980 L60N-H 121.147 8.144 H61N-H 118.250 8.461 F62N-H 120.929 8.357 T63N-H 115.175 8.009 V64N-H 120.302 8.565 Q65N-H 117.751 7.453 V66N-H 119.769 8.074 L67N-H 116.794 7.771 E68N-H 118.143 8.543 E69N-H 120.063 8.720 A70N-H 121.758 8.275 A71N-H 116.486 8.105 A72N-H 118.725 7.820 L73N-H 120.426 7.766 F74N-H 112.707 7.567 E75N-H 116.968 7.750 S79N-H 120.352 8.515 N80N-H 117.983 9.307 A81N-H 120.737 7.273 N86N-H 115.292 8.971 T87N-H 117.363 7.492 A99N-H 121.691 8.367 D100N-H 116.896 8.188 G101N-H 109.449 7.708 L102N-H 120.874 7.772 R103N-H 120.021 8.494 S104N-H 114.312 7.588 C105N-H 118.600 7.799 T106N-H 109.120 7.713 G107N-H 109.839 8.457 S108N-H 123.377 8.104 K112N-H 122.485 8.052 K113N-H 122.510 8.070 K114N-H 122.889 8.333 N115N-H 122.528 9.489 K117N-H 120.111 8.246 L118N-H 122.333 8.566 H119N-H 118.123 7.891 M120N-H 116.637 8.658 Y121N-H 121.923 7.882 F122N-H 120.492 7.862 K123N-H 119.769 8.142 R124N-H 122.234 7.915 L125N-H 120.400 7.782 S126N-H 110.374 7.250 S127N-H 114.368 8.646 H128N-H 121.409 9.448 V129N-H 115.847 7.000 L130N-H 115.035 7.085 K131N-H 117.263 8.562 K132N-H 118.893 6.560 M133N-H 114.253 7.132 S134N-H 113.329 7.873 H135N-H 112.154 9.265 S136N-H 113.224 7.227 A137N-H 122.318 9.200 E138N-H 117.879 8.767 A139N-H 125.038 7.903 W140N-H 116.797 8.168 E141N-H 121.262 8.060 L142N-H 120.368 7.682 I143N-H 119.271 8.188 R144N-H 122.716 9.386 K145N-H 116.344 8.077 E146N-H 119.608 8.096 I147N-H 119.435 9.412 R148N-H 121.560 8.490 T149N-H 116.270 7.769 H150N-H 120.574 8.578 L151N-H 118.108 8.958 M152N-H 120.595 8.536 R153N-H 121.001 8.747 A154N-H 124.764 9.725 D155N-H 118.034 8.010 Q156N-H 119.091 7.824 L157N-H 121.065 8.235 V158N-H 120.887 8.514 S159N-H 116.145 8.701 S160N-H 115.847 7.533 L161N-H 122.121 7.817 R162N-H 118.674 7.436 N163N-H 120.931 8.644 T164N-H 114.011 8.104 N165N-H 126.251 8.128 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 CA . aliased 6132.234 ppm . . . . . . 51889 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51889 1 stop_ save_