data_4644 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4644 _Entry.Title ; Solution structures of two CCHC zinc fingers from the FOG family protein U-shaped that mediate protein-protein interactions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-18 _Entry.Accession_date 2001-03-16 _Entry.Last_release_date 2001-05-09 _Entry.Original_release_date 2001-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 C. Liew . K. . 4644 2 K. Kowalski . . . 4644 3 A. Fox . H. . 4644 4 A. Newton . . . 4644 5 B. Sharpe . K. . 4644 6 M. Crossley . . . 4644 7 J. Mackay . P. . 4644 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4644 coupling_constants 1 4644 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 215 4644 '15N chemical shifts' 32 4644 'coupling constants' 28 4644 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 . . 2001-05-09 2000-09-18 original author . 4644 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4939 'ninth zinc-finger domain of the u-shaped transcription factor' 4644 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4644 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11080638 _Citation.Full_citation . _Citation.Title ; Solution structures of two CCHC zinc fingers from the FOG family protein U-shaped that mediate protein-protein interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure Fold Des.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _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 1157 _Citation.Page_last 1166 _Citation.Year 2000 _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.Entry_ID _Citation_author.Citation_ID 1 C. Liew . K. . 4644 1 2 K. Kowalski . . . 4644 1 3 A. Fox . H. . 4644 1 4 A. Newton . . . 4644 1 5 B. Sharpe . K. . 4644 1 6 M. Crossley . . . 4644 1 7 J. Mackay . P. . 4644 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ZINC FINGER' 4644 1 CCHC 4644 1 'PROTEIN INTERACTION' 4644 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_1FV5 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_1FV5 _Assembly.Entry_ID 4644 _Assembly.ID 1 _Assembly.Name 'FIRST ZINC FINGER FROM THE DROSOPHILA U-SHAPED TRANSCRIPTION FACTOR' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4644 1 stop_ 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 'FIRST ZINC FINGER OF U-SHAPED' 1 $U-shaped_1st_finger . . . native . . . . . 4644 1 2 'ZINC ION' 2 $ZN . . . native . . . . . 4644 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 . 1 CYS 11 11 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4644 1 2 'metal coordination' single . 1 . 1 CYS 14 14 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4644 1 3 'metal coordination' single . 1 . 1 CYS 32 32 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4644 1 4 'metal coordination' single . 1 . 1 HIS 27 27 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4644 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1FV5 . . . . . . 4644 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'FIRST ZINC FINGER FROM THE DROSOPHILA U-SHAPED TRANSCRIPTION FACTOR' system 4644 1 'FIRST ZINC FINGER FROM THE DROSOPHILA U-SHAPED TRANSCRIPTION FACTOR' abbreviation 4644 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U-shaped_1st_finger _Entity.Sf_category entity _Entity.Sf_framecode U-shaped_1st_finger _Entity.Entry_ID 4644 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FIRST ZINC FINGER OF U-SHAPED' _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 ; GSLLKPARFMCLPCGIAFSS PSTLEAHQAYYCSHRI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other 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 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1FV5 . "Solution Structure Of The First Zinc Finger From The Drosophila U-Shaped Transcription Factor" . . . . . 100.00 36 100.00 100.00 1.17e-16 . . . . 4644 1 2 no PDB 1Y0J . "Zinc Fingers As Protein Recognition Motifs: Structural Basis For The Gata-1FRIEND OF GATA INTERACTION" . . . . . 100.00 36 100.00 100.00 1.17e-16 . . . . 4644 1 3 no PDB 2L6Z . "Haddock Model Of Gata1nf:lmo2lim2-Ldb1lid With Fog" . . . . . 100.00 36 100.00 100.00 1.17e-16 . . . . 4644 1 4 no EMBL CAA72991 . "u-shaped [Drosophila melanogaster]" . . . . . 94.44 1191 100.00 100.00 4.19e-14 . . . . 4644 1 5 no GB AAF51488 . "u-shaped, isoform A [Drosophila melanogaster]" . . . . . 94.44 1191 100.00 100.00 4.23e-14 . . . . 4644 1 6 no GB AAT94507 . "LD12631p [Drosophila melanogaster]" . . . . . 94.44 1191 100.00 100.00 4.23e-14 . . . . 4644 1 7 no GB ACO56241 . "SD10668p [Drosophila melanogaster]" . . . . . 94.44 1198 100.00 100.00 4.24e-14 . . . . 4644 1 8 no GB AGB92365 . "u-shaped, isoform B [Drosophila melanogaster]" . . . . . 94.44 1198 100.00 100.00 4.20e-14 . . . . 4644 1 9 no GB AGB92366 . "u-shaped, isoform C [Drosophila melanogaster]" . . . . . 94.44 1212 100.00 100.00 4.60e-14 . . . . 4644 1 10 no REF NP_001259828 . "u-shaped, isoform B [Drosophila melanogaster]" . . . . . 94.44 1198 100.00 100.00 4.20e-14 . . . . 4644 1 11 no REF NP_001259829 . "u-shaped, isoform C [Drosophila melanogaster]" . . . . . 94.44 1212 100.00 100.00 4.60e-14 . . . . 4644 1 12 no REF NP_001259830 . "u-shaped, isoform D [Drosophila melanogaster]" . . . . . 94.44 1175 100.00 100.00 4.38e-14 . . . . 4644 1 13 no REF NP_001259831 . "u-shaped, isoform E [Drosophila melanogaster]" . . . . . 94.44 1198 100.00 100.00 4.20e-14 . . . . 4644 1 14 no REF NP_476780 . "u-shaped, isoform A [Drosophila melanogaster]" . . . . . 94.44 1191 100.00 100.00 4.23e-14 . . . . 4644 1 15 no SP Q9VPQ6 . "RecName: Full=Zinc finger protein ush; AltName: Full=Protein U-shaped" . . . . . 94.44 1191 100.00 100.00 4.23e-14 . . . . 4644 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FIRST ZINC FINGER OF U-SHAPED' common 4644 1 'FIRST ZINC FINGER OF U-SHAPED' abbreviation 4644 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 . GLY . 4644 1 2 . SER . 4644 1 3 . LEU . 4644 1 4 . LEU . 4644 1 5 . LYS . 4644 1 6 . PRO . 4644 1 7 . ALA . 4644 1 8 . ARG . 4644 1 9 . PHE . 4644 1 10 . MET . 4644 1 11 . CYS . 4644 1 12 . LEU . 4644 1 13 . PRO . 4644 1 14 . CYS . 4644 1 15 . GLY . 4644 1 16 . ILE . 4644 1 17 . ALA . 4644 1 18 . PHE . 4644 1 19 . SER . 4644 1 20 . SER . 4644 1 21 . PRO . 4644 1 22 . SER . 4644 1 23 . THR . 4644 1 24 . LEU . 4644 1 25 . GLU . 4644 1 26 . ALA . 4644 1 27 . HIS . 4644 1 28 . GLN . 4644 1 29 . ALA . 4644 1 30 . TYR . 4644 1 31 . TYR . 4644 1 32 . CYS . 4644 1 33 . SER . 4644 1 34 . HIS . 4644 1 35 . ARG . 4644 1 36 . ILE . 4644 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 . GLY 1 1 4644 1 . SER 2 2 4644 1 . LEU 3 3 4644 1 . LEU 4 4 4644 1 . LYS 5 5 4644 1 . PRO 6 6 4644 1 . ALA 7 7 4644 1 . ARG 8 8 4644 1 . PHE 9 9 4644 1 . MET 10 10 4644 1 . CYS 11 11 4644 1 . LEU 12 12 4644 1 . PRO 13 13 4644 1 . CYS 14 14 4644 1 . GLY 15 15 4644 1 . ILE 16 16 4644 1 . ALA 17 17 4644 1 . PHE 18 18 4644 1 . SER 19 19 4644 1 . SER 20 20 4644 1 . PRO 21 21 4644 1 . SER 22 22 4644 1 . THR 23 23 4644 1 . LEU 24 24 4644 1 . GLU 25 25 4644 1 . ALA 26 26 4644 1 . HIS 27 27 4644 1 . GLN 28 28 4644 1 . ALA 29 29 4644 1 . TYR 30 30 4644 1 . TYR 31 31 4644 1 . CYS 32 32 4644 1 . SER 33 33 4644 1 . HIS 34 34 4644 1 . ARG 35 35 4644 1 . ILE 36 36 4644 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4644 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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_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 . ZN . 4644 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4644 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $U-shaped_1st_finger . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4644 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4644 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $U-shaped_1st_finger . 'recombinant technology' 'Escherichia coli' 'E. coil' . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 4644 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 4644 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 4644 ZN InChI=1/Zn/q+2 InChI InChI 1.02b 4644 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 4644 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4644 ZN [Zn++] SMILES CACTVS 3.341 4644 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4644 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4644 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 4644 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4644 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4644 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4644 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'FIRST ZINC FINGER OF U-SHAPED' . . . 1 $U-shaped_1st_finger . . 0.7 . . mM . . . . 4644 1 2 H2O . . . . . . . 95 . . % . . . . 4644 1 3 D2O . . . . . . . 5 . . % . . . . 4644 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4644 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'FIRST ZINC FINGER OF U-SHAPED' [U-15N] . . 1 $U-shaped_1st_finger . . 0.7 . . mM . . . . 4644 2 2 H2O . . . . . . . 95 . . % . . . . 4644 2 3 D2O . . . . . . . 5 . . % . . . . 4644 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4644 _Sample_condition_list.ID 1 _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 5.5 . pH 4644 1 temperature 298 . K 4644 1 pressure 1 . atm 4644 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4644 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.6 _Software.Details Guenther loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 4644 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4644 _Software.ID 2 _Software.Name XEASY _Software.Version 1.2 _Software.Details 'Bartels, Xia, Billeter, Guntert, Wuthrich' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4644 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4644 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Guntert, Mumenthaler, Wuthrich' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4644 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 4644 _Software.ID 4 _Software.Name CNS _Software.Version 1.0 _Software.Details 'Warren, Nilges, Kuszewski, Clore, Brunger' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4644 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4644 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4644 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 4644 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4644 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4644 1 2 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4644 1 3 HNHB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4644 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref_1 _Chem_shift_reference.Entry_ID 4644 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4644 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4644 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4644 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4644 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 7.817 0.000 . . . . . . . . . . 4644 1 2 . 1 1 2 2 SER HA H 1 4.259 0.003 . . . . . . . . . . 4644 1 3 . 1 1 2 2 SER N N 15 110.212 . . . . . . . . . . . 4644 1 4 . 1 1 3 3 LEU H H 1 8.467 0.001 . . . . . . . . . . 4644 1 5 . 1 1 3 3 LEU HA H 1 4.383 0.005 . . . . . . . . . . 4644 1 6 . 1 1 3 3 LEU HG H 1 1.615 0.005 . . . . . . . . . . 4644 1 7 . 1 1 3 3 LEU HD11 H 1 0.937 0.009 . 1 . . . . . . . . 4644 1 8 . 1 1 3 3 LEU HD12 H 1 0.937 0.009 . 1 . . . . . . . . 4644 1 9 . 1 1 3 3 LEU HD13 H 1 0.937 0.009 . 1 . . . . . . . . 4644 1 10 . 1 1 3 3 LEU HD21 H 1 0.887 0.004 . 1 . . . . . . . . 4644 1 11 . 1 1 3 3 LEU HD22 H 1 0.887 0.004 . 1 . . . . . . . . 4644 1 12 . 1 1 3 3 LEU HD23 H 1 0.887 0.004 . 1 . . . . . . . . 4644 1 13 . 1 1 3 3 LEU N N 15 123.037 . . . . . . . . . . . 4644 1 14 . 1 1 4 4 LEU H H 1 8.243 0.001 . . . . . . . . . . 4644 1 15 . 1 1 4 4 LEU HA H 1 4.336 0.002 . . . . . . . . . . 4644 1 16 . 1 1 4 4 LEU HB2 H 1 1.630 0.003 . . . . . . . . . . 4644 1 17 . 1 1 4 4 LEU HB3 H 1 1.553 0.002 . . . . . . . . . . 4644 1 18 . 1 1 4 4 LEU HG H 1 1.584 0.000 . . . . . . . . . . 4644 1 19 . 1 1 4 4 LEU HD11 H 1 0.926 0.001 . 1 . . . . . . . . 4644 1 20 . 1 1 4 4 LEU HD12 H 1 0.926 0.001 . 1 . . . . . . . . 4644 1 21 . 1 1 4 4 LEU HD13 H 1 0.926 0.001 . 1 . . . . . . . . 4644 1 22 . 1 1 4 4 LEU HD21 H 1 0.869 0.001 . 1 . . . . . . . . 4644 1 23 . 1 1 4 4 LEU HD22 H 1 0.869 0.001 . 1 . . . . . . . . 4644 1 24 . 1 1 4 4 LEU HD23 H 1 0.869 0.001 . 1 . . . . . . . . 4644 1 25 . 1 1 4 4 LEU N N 15 121.954 . . . . . . . . . . . 4644 1 26 . 1 1 5 5 LYS H H 1 8.263 0.005 . . . . . . . . . . 4644 1 27 . 1 1 5 5 LYS HA H 1 4.607 0.004 . . . . . . . . . . 4644 1 28 . 1 1 5 5 LYS HB2 H 1 1.806 0.005 . . . . . . . . . . 4644 1 29 . 1 1 5 5 LYS HB3 H 1 1.693 0.012 . . . . . . . . . . 4644 1 30 . 1 1 5 5 LYS HG2 H 1 1.464 0.002 . . . . . . . . . . 4644 1 31 . 1 1 5 5 LYS HG3 H 1 1.400 0.008 . . . . . . . . . . 4644 1 32 . 1 1 5 5 LYS N N 15 122.010 . . . . . . . . . . . 4644 1 33 . 1 1 6 6 PRO HA H 1 4.354 0.004 . . . . . . . . . . 4644 1 34 . 1 1 6 6 PRO HB2 H 1 2.265 0.005 . . . . . . . . . . 4644 1 35 . 1 1 6 6 PRO HB3 H 1 1.832 0.006 . . . . . . . . . . 4644 1 36 . 1 1 6 6 PRO HD2 H 1 3.779 0.005 . . . . . . . . . . 4644 1 37 . 1 1 6 6 PRO HD3 H 1 3.618 0.005 . . . . . . . . . . 4644 1 38 . 1 1 7 7 ALA H H 1 8.288 0.001 . . . . . . . . . . 4644 1 39 . 1 1 7 7 ALA HA H 1 4.236 0.000 . . . . . . . . . . 4644 1 40 . 1 1 7 7 ALA HB1 H 1 1.304 0.002 . 1 . . . . . . . . 4644 1 41 . 1 1 7 7 ALA HB2 H 1 1.304 0.002 . 1 . . . . . . . . 4644 1 42 . 1 1 7 7 ALA HB3 H 1 1.304 0.002 . 1 . . . . . . . . 4644 1 43 . 1 1 7 7 ALA N N 15 123.120 . . . . . . . . . . . 4644 1 44 . 1 1 8 8 ARG H H 1 7.853 0.001 . . . . . . . . . . 4644 1 45 . 1 1 8 8 ARG HA H 1 4.229 0.009 . . . . . . . . . . 4644 1 46 . 1 1 8 8 ARG HB2 H 1 1.434 0.012 . . . . . . . . . . 4644 1 47 . 1 1 8 8 ARG HB3 H 1 1.395 0.013 . . . . . . . . . . 4644 1 48 . 1 1 8 8 ARG HG2 H 1 1.352 0.016 . . . . . . . . . . 4644 1 49 . 1 1 8 8 ARG HG3 H 1 1.271 0.008 . . . . . . . . . . 4644 1 50 . 1 1 8 8 ARG HE H 1 7.043 0.003 . . . . . . . . . . 4644 1 51 . 1 1 8 8 ARG N N 15 117.596 . . . . . . . . . . . 4644 1 52 . 1 1 9 9 PHE H H 1 8.507 0.000 . . . . . . . . . . 4644 1 53 . 1 1 9 9 PHE HA H 1 4.700 0.005 . . . . . . . . . . 4644 1 54 . 1 1 9 9 PHE HD1 H 1 7.350 0.001 . 1 . . . . . . . . 4644 1 55 . 1 1 9 9 PHE HD2 H 1 7.350 0.001 . 1 . . . . . . . . 4644 1 56 . 1 1 9 9 PHE HE1 H 1 7.160 0.002 . 1 . . . . . . . . 4644 1 57 . 1 1 9 9 PHE HE2 H 1 7.160 0.002 . 1 . . . . . . . . 4644 1 58 . 1 1 9 9 PHE N N 15 119.567 . . . . . . . . . . . 4644 1 59 . 1 1 10 10 MET H H 1 8.507 0.003 . . . . . . . . . . 4644 1 60 . 1 1 10 10 MET HA H 1 5.071 0.005 . . . . . . . . . . 4644 1 61 . 1 1 10 10 MET N N 15 120.511 . . . . . . . . . . . 4644 1 62 . 1 1 11 11 CYS H H 1 8.889 0.004 . . . . . . . . . . 4644 1 63 . 1 1 11 11 CYS HA H 1 4.700 0.005 . . . . . . . . . . 4644 1 64 . 1 1 11 11 CYS HB2 H 1 3.157 0.008 . . . . . . . . . . 4644 1 65 . 1 1 11 11 CYS HB3 H 1 2.828 0.007 . . . . . . . . . . 4644 1 66 . 1 1 11 11 CYS N N 15 123.953 . . . . . . . . . . . 4644 1 67 . 1 1 12 12 LEU H H 1 9.153 0.003 . . . . . . . . . . 4644 1 68 . 1 1 12 12 LEU HA H 1 4.228 0.005 . . . . . . . . . . 4644 1 69 . 1 1 12 12 LEU HB2 H 1 1.957 0.002 . . . . . . . . . . 4644 1 70 . 1 1 12 12 LEU HB3 H 1 1.580 0.004 . . . . . . . . . . 4644 1 71 . 1 1 12 12 LEU HG H 1 1.710 0.003 . . . . . . . . . . 4644 1 72 . 1 1 12 12 LEU HD11 H 1 0.993 0.002 . 1 . . . . . . . . 4644 1 73 . 1 1 12 12 LEU HD12 H 1 0.993 0.002 . 1 . . . . . . . . 4644 1 74 . 1 1 12 12 LEU HD13 H 1 0.993 0.002 . 1 . . . . . . . . 4644 1 75 . 1 1 12 12 LEU HD21 H 1 0.893 0.001 . 1 . . . . . . . . 4644 1 76 . 1 1 12 12 LEU HD22 H 1 0.893 0.001 . 1 . . . . . . . . 4644 1 77 . 1 1 12 12 LEU HD23 H 1 0.893 0.001 . 1 . . . . . . . . 4644 1 78 . 1 1 12 12 LEU N N 15 119.706 . . . . . . . . . . . 4644 1 79 . 1 1 13 13 PRO HA H 1 4.160 0.006 . . . . . . . . . . 4644 1 80 . 1 1 13 13 PRO HB2 H 1 1.953 0.004 . . . . . . . . . . 4644 1 81 . 1 1 13 13 PRO HB3 H 1 1.401 0.005 . . . . . . . . . . 4644 1 82 . 1 1 13 13 PRO HG2 H 1 2.037 0.006 . . . . . . . . . . 4644 1 83 . 1 1 13 13 PRO HG3 H 1 1.906 0.007 . . . . . . . . . . 4644 1 84 . 1 1 13 13 PRO HD2 H 1 4.901 0.005 . . . . . . . . . . 4644 1 85 . 1 1 13 13 PRO HD3 H 1 3.633 0.003 . . . . . . . . . . 4644 1 86 . 1 1 14 14 CYS H H 1 7.694 0.004 . . . . . . . . . . 4644 1 87 . 1 1 14 14 CYS HA H 1 4.432 0.005 . . . . . . . . . . 4644 1 88 . 1 1 14 14 CYS HB2 H 1 3.129 0.007 . . . . . . . . . . 4644 1 89 . 1 1 14 14 CYS HB3 H 1 2.925 0.009 . . . . . . . . . . 4644 1 90 . 1 1 14 14 CYS N N 15 128.200 . . . . . . . . . . . 4644 1 91 . 1 1 15 15 GLY H H 1 8.592 0.002 . . . . . . . . . . 4644 1 92 . 1 1 15 15 GLY HA2 H 1 3.977 0.009 . . . . . . . . . . 4644 1 93 . 1 1 15 15 GLY HA3 H 1 3.768 0.004 . . . . . . . . . . 4644 1 94 . 1 1 15 15 GLY N N 15 109.435 . . . . . . . . . . . 4644 1 95 . 1 1 16 16 ILE H H 1 7.046 0.006 . . . . . . . . . . 4644 1 96 . 1 1 16 16 ILE HA H 1 4.118 0.003 . . . . . . . . . . 4644 1 97 . 1 1 16 16 ILE HB H 1 1.267 0.007 . . . . . . . . . . 4644 1 98 . 1 1 16 16 ILE HG21 H 1 0.309 0.002 . 1 . . . . . . . . 4644 1 99 . 1 1 16 16 ILE HG22 H 1 0.309 0.002 . 1 . . . . . . . . 4644 1 100 . 1 1 16 16 ILE HG23 H 1 0.309 0.002 . 1 . . . . . . . . 4644 1 101 . 1 1 16 16 ILE HG12 H 1 1.357 0.006 . . . . . . . . . . 4644 1 102 . 1 1 16 16 ILE HD11 H 1 0.823 0.004 . 1 . . . . . . . . 4644 1 103 . 1 1 16 16 ILE HD12 H 1 0.823 0.004 . 1 . . . . . . . . 4644 1 104 . 1 1 16 16 ILE HD13 H 1 0.823 0.004 . 1 . . . . . . . . 4644 1 105 . 1 1 17 17 ALA H H 1 8.105 0.002 . . . . . . . . . . 4644 1 106 . 1 1 17 17 ALA HA H 1 4.819 0.005 . . . . . . . . . . 4644 1 107 . 1 1 17 17 ALA HB1 H 1 1.218 0.003 . 1 . . . . . . . . 4644 1 108 . 1 1 17 17 ALA HB2 H 1 1.218 0.003 . 1 . . . . . . . . 4644 1 109 . 1 1 17 17 ALA HB3 H 1 1.218 0.003 . 1 . . . . . . . . 4644 1 110 . 1 1 17 17 ALA N N 15 125.424 . . . . . . . . . . . 4644 1 111 . 1 1 18 18 PHE H H 1 8.671 0.004 . . . . . . . . . . 4644 1 112 . 1 1 18 18 PHE HA H 1 4.679 0.005 . . . . . . . . . . 4644 1 113 . 1 1 18 18 PHE HB2 H 1 3.594 0.007 . . . . . . . . . . 4644 1 114 . 1 1 18 18 PHE HB3 H 1 2.842 0.008 . . . . . . . . . . 4644 1 115 . 1 1 18 18 PHE HZ H 1 6.299 0.001 . . . . . . . . . . 4644 1 116 . 1 1 18 18 PHE HD1 H 1 7.264 0.002 . 1 . . . . . . . . 4644 1 117 . 1 1 18 18 PHE HD2 H 1 7.264 0.002 . 1 . . . . . . . . 4644 1 118 . 1 1 18 18 PHE HE1 H 1 6.907 0.002 . 1 . . . . . . . . 4644 1 119 . 1 1 18 18 PHE HE2 H 1 6.907 0.002 . 1 . . . . . . . . 4644 1 120 . 1 1 18 18 PHE N N 15 117.763 . . . . . . . . . . . 4644 1 121 . 1 1 19 19 SER H H 1 8.960 0.000 . . . . . . . . . . 4644 1 122 . 1 1 19 19 SER HA H 1 4.652 0.012 . . . . . . . . . . 4644 1 123 . 1 1 19 19 SER HB2 H 1 4.153 0.011 . . . . . . . . . . 4644 1 124 . 1 1 19 19 SER HB3 H 1 4.031 0.005 . . . . . . . . . . 4644 1 125 . 1 1 19 19 SER N N 15 112.211 . . . . . . . . . . . 4644 1 126 . 1 1 20 20 SER H H 1 7.629 0.002 . . . . . . . . . . 4644 1 127 . 1 1 20 20 SER HA H 1 4.628 0.005 . . . . . . . . . . 4644 1 128 . 1 1 20 20 SER HB2 H 1 4.120 0.002 . . . . . . . . . . 4644 1 129 . 1 1 20 20 SER HB3 H 1 3.878 0.006 . . . . . . . . . . 4644 1 130 . 1 1 20 20 SER N N 15 112.472 . . . . . . . . . . . 4644 1 131 . 1 1 21 21 PRO HA H 1 3.823 0.004 . . . . . . . . . . 4644 1 132 . 1 1 21 21 PRO HB2 H 1 2.130 0.003 . . . . . . . . . . 4644 1 133 . 1 1 21 21 PRO HB3 H 1 1.838 0.005 . . . . . . . . . . 4644 1 134 . 1 1 21 21 PRO HG2 H 1 1.949 0.004 . . . . . . . . . . 4644 1 135 . 1 1 21 21 PRO HG3 H 1 1.595 0.004 . . . . . . . . . . 4644 1 136 . 1 1 21 21 PRO HD2 H 1 3.648 0.007 . . . . . . . . . . 4644 1 137 . 1 1 21 21 PRO HD3 H 1 2.765 0.002 . . . . . . . . . . 4644 1 138 . 1 1 22 22 SER HA H 1 4.263 0.001 . . . . . . . . . . 4644 1 139 . 1 1 22 22 SER N N 15 112.970 . . . . . . . . . . . 4644 1 140 . 1 1 23 23 THR H H 1 7.658 0.005 . . . . . . . . . . 4644 1 141 . 1 1 23 23 THR HA H 1 4.172 0.002 . . . . . . . . . . 4644 1 142 . 1 1 23 23 THR HB H 1 4.402 0.003 . . . . . . . . . . 4644 1 143 . 1 1 23 23 THR HG21 H 1 1.361 0.005 . 1 . . . . . . . . 4644 1 144 . 1 1 23 23 THR HG22 H 1 1.361 0.005 . 1 . . . . . . . . 4644 1 145 . 1 1 23 23 THR HG23 H 1 1.361 0.005 . 1 . . . . . . . . 4644 1 146 . 1 1 23 23 THR N N 15 114.846 . . 5 . . . . . . . . 4644 1 147 . 1 1 24 24 LEU H H 1 7.380 0.002 . . . . . . . . . . 4644 1 148 . 1 1 24 24 LEU HA H 1 3.303 0.004 . . . . . . . . . . 4644 1 149 . 1 1 24 24 LEU HB2 H 1 1.910 0.007 . . . . . . . . . . 4644 1 150 . 1 1 24 24 LEU HB3 H 1 1.331 0.005 . . . . . . . . . . 4644 1 151 . 1 1 24 24 LEU HG H 1 1.404 0.006 . . . . . . . . . . 4644 1 152 . 1 1 24 24 LEU HD11 H 1 1.012 0.003 . 1 . . . . . . . . 4644 1 153 . 1 1 24 24 LEU HD12 H 1 1.012 0.003 . 1 . . . . . . . . 4644 1 154 . 1 1 24 24 LEU HD13 H 1 1.012 0.003 . 1 . . . . . . . . 4644 1 155 . 1 1 24 24 LEU HD21 H 1 0.900 0.005 . 1 . . . . . . . . 4644 1 156 . 1 1 24 24 LEU HD22 H 1 0.900 0.005 . 1 . . . . . . . . 4644 1 157 . 1 1 24 24 LEU HD23 H 1 0.900 0.005 . 1 . . . . . . . . 4644 1 158 . 1 1 24 24 LEU N N 15 123.437 . . . . . . . . . . . 4644 1 159 . 1 1 25 25 GLU H H 1 8.339 0.003 . . . . . . . . . . 4644 1 160 . 1 1 25 25 GLU HA H 1 4.033 0.005 . . . . . . . . . . 4644 1 161 . 1 1 25 25 GLU HB2 H 1 2.083 0.006 . . . . . . . . . . 4644 1 162 . 1 1 25 25 GLU HB3 H 1 2.025 0.007 . . . . . . . . . . 4644 1 163 . 1 1 25 25 GLU HG2 H 1 2.366 0.001 . . . . . . . . . . 4644 1 164 . 1 1 25 25 GLU HG3 H 1 2.210 0.006 . . . . . . . . . . 4644 1 165 . 1 1 25 25 GLU N N 15 118.012 . . . . . . . . . . . 4644 1 166 . 1 1 26 26 ALA H H 1 7.767 0.002 . . . . . . . . . . 4644 1 167 . 1 1 26 26 ALA HA H 1 4.191 0.001 . . . . . . . . . . 4644 1 168 . 1 1 26 26 ALA HB1 H 1 1.647 0.004 . 1 . . . . . . . . 4644 1 169 . 1 1 26 26 ALA HB2 H 1 1.647 0.004 . 1 . . . . . . . . 4644 1 170 . 1 1 26 26 ALA HB3 H 1 1.647 0.004 . 1 . . . . . . . . 4644 1 171 . 1 1 26 26 ALA N N 15 119.639 . . . . . . . . . . . 4644 1 172 . 1 1 27 27 HIS H H 1 7.654 0.003 . . . . . . . . . . 4644 1 173 . 1 1 27 27 HIS HA H 1 4.439 0.008 . . . . . . . . . . 4644 1 174 . 1 1 27 27 HIS HB2 H 1 3.288 0.006 . . . . . . . . . . 4644 1 175 . 1 1 27 27 HIS HB3 H 1 2.870 0.006 . . . . . . . . . . 4644 1 176 . 1 1 27 27 HIS HD2 H 1 6.878 0.002 . . . . . . . . . . 4644 1 177 . 1 1 27 27 HIS HE1 H 1 8.319 0.001 . . . . . . . . . . 4644 1 178 . 1 1 27 27 HIS N N 15 114.846 . . 5 . . . . . . . . 4644 1 179 . 1 1 28 28 GLN H H 1 8.615 0.004 . . . . . . . . . . 4644 1 180 . 1 1 28 28 GLN HA H 1 3.718 0.005 . . . . . . . . . . 4644 1 181 . 1 1 28 28 GLN HB2 H 1 2.243 0.004 . . . . . . . . . . 4644 1 182 . 1 1 28 28 GLN HB3 H 1 1.988 0.005 . . . . . . . . . . 4644 1 183 . 1 1 28 28 GLN HG2 H 1 2.788 0.004 . . . . . . . . . . 4644 1 184 . 1 1 28 28 GLN HG3 H 1 2.661 0.003 . . . . . . . . . . 4644 1 185 . 1 1 28 28 GLN HE21 H 1 8.107 0.003 . . . . . . . . . . 4644 1 186 . 1 1 28 28 GLN HE22 H 1 7.048 0.001 . . . . . . . . . . 4644 1 187 . 1 1 28 28 GLN N N 15 115.903 . . . . . . . . . . . 4644 1 188 . 1 1 28 28 GLN NE2 N 15 111.296 . . . . . . . . . . . 4644 1 189 . 1 1 29 29 ALA H H 1 7.907 0.001 . . . . . . . . . . 4644 1 190 . 1 1 29 29 ALA HA H 1 3.957 0.003 . . . . . . . . . . 4644 1 191 . 1 1 29 29 ALA HB1 H 1 0.777 0.004 . 1 . . . . . . . . 4644 1 192 . 1 1 29 29 ALA HB2 H 1 0.777 0.004 . 1 . . . . . . . . 4644 1 193 . 1 1 29 29 ALA HB3 H 1 0.777 0.004 . 1 . . . . . . . . 4644 1 194 . 1 1 29 29 ALA N N 15 117.263 . . . . . . . . . . . 4644 1 195 . 1 1 30 30 TYR H H 1 7.432 0.001 . . . . . . . . . . 4644 1 196 . 1 1 30 30 TYR HA H 1 4.641 0.001 . . . . . . . . . . 4644 1 197 . 1 1 30 30 TYR HB3 H 1 2.441 0.004 . . . . . . . . . . 4644 1 198 . 1 1 30 30 TYR HB2 H 1 1.953 0.004 . . . . . . . . . . 4644 1 199 . 1 1 30 30 TYR HD1 H 1 7.013 0.004 . 1 . . . . . . . . 4644 1 200 . 1 1 30 30 TYR HD2 H 1 7.013 0.004 . 1 . . . . . . . . 4644 1 201 . 1 1 30 30 TYR HE1 H 1 6.777 0.002 . 1 . . . . . . . . 4644 1 202 . 1 1 30 30 TYR HE2 H 1 6.777 0.002 . 1 . . . . . . . . 4644 1 203 . 1 1 30 30 TYR N N 15 109.375 . . . . . . . . . . . 4644 1 204 . 1 1 31 31 TYR H H 1 7.693 0.002 . . . . . . . . . . 4644 1 205 . 1 1 31 31 TYR HA H 1 4.920 0.002 . . . . . . . . . . 4644 1 206 . 1 1 31 31 TYR HB3 H 1 3.489 0.005 . . . . . . . . . . 4644 1 207 . 1 1 31 31 TYR HB2 H 1 2.736 0.005 . . . . . . . . . . 4644 1 208 . 1 1 31 31 TYR HD1 H 1 7.240 0.003 . 1 . . . . . . . . 4644 1 209 . 1 1 31 31 TYR HD2 H 1 7.240 0.003 . 1 . . . . . . . . 4644 1 210 . 1 1 31 31 TYR HE1 H 1 6.866 0.002 . 1 . . . . . . . . 4644 1 211 . 1 1 31 31 TYR HE2 H 1 6.866 0.002 . 1 . . . . . . . . 4644 1 212 . 1 1 31 31 TYR N N 15 113.806 . . . . . . . . . . . 4644 1 213 . 1 1 32 32 CYS H H 1 7.755 0.005 . . . . . . . . . . 4644 1 214 . 1 1 32 32 CYS HA H 1 3.750 0.009 . . . . . . . . . . 4644 1 215 . 1 1 32 32 CYS HB2 H 1 2.558 0.007 . . . . . . . . . . 4644 1 216 . 1 1 32 32 CYS HB3 H 1 1.973 0.015 . . . . . . . . . . 4644 1 217 . 1 1 32 32 CYS N N 15 121.402 . . . . . . . . . . . 4644 1 218 . 1 1 33 33 SER H H 1 8.761 0.005 . . . . . . . . . . 4644 1 219 . 1 1 33 33 SER HA H 1 4.326 0.004 . . . . . . . . . . 4644 1 220 . 1 1 33 33 SER N N 15 123.870 . . . . . . . . . . . 4644 1 221 . 1 1 34 34 HIS H H 1 8.820 0.004 . . . . . . . . . . 4644 1 222 . 1 1 34 34 HIS HA H 1 4.680 0.005 . . . . . . . . . . 4644 1 223 . 1 1 34 34 HIS HB2 H 1 3.402 0.006 . . . . . . . . . . 4644 1 224 . 1 1 34 34 HIS HB3 H 1 2.979 0.005 . . . . . . . . . . 4644 1 225 . 1 1 34 34 HIS HD2 H 1 7.013 0.000 . . . . . . . . . . 4644 1 226 . 1 1 34 34 HIS HE1 H 1 7.439 0.000 . . . . . . . . . . 4644 1 227 . 1 1 34 34 HIS N N 15 120.011 . . . . . . . . . . . 4644 1 228 . 1 1 35 35 ARG H H 1 7.576 0.006 . . . . . . . . . . 4644 1 229 . 1 1 35 35 ARG HA H 1 4.356 0.004 . . . . . . . . . . 4644 1 230 . 1 1 35 35 ARG HB2 H 1 1.845 0.005 . . . . . . . . . . 4644 1 231 . 1 1 35 35 ARG HB3 H 1 1.768 0.007 . . . . . . . . . . 4644 1 232 . 1 1 35 35 ARG HG2 H 1 1.672 0.006 . . . . . . . . . . 4644 1 233 . 1 1 35 35 ARG HG3 H 1 1.551 0.005 . . . . . . . . . . 4644 1 234 . 1 1 35 35 ARG HE H 1 7.118 0.000 . . . . . . . . . . 4644 1 235 . 1 1 35 35 ARG N N 15 119.865 . . . . . . . . . . . 4644 1 236 . 1 1 36 36 ILE H H 1 7.776 0.002 . . . . . . . . . . 4644 1 237 . 1 1 36 36 ILE HA H 1 4.082 0.006 . . . . . . . . . . 4644 1 238 . 1 1 36 36 ILE HB H 1 1.824 0.008 . . . . . . . . . . 4644 1 239 . 1 1 36 36 ILE HG21 H 1 0.899 0.003 . . . . . . . . . . 4644 1 240 . 1 1 36 36 ILE HG22 H 1 0.899 0.003 . . . . . . . . . . 4644 1 241 . 1 1 36 36 ILE HG23 H 1 0.899 0.003 . . . . . . . . . . 4644 1 242 . 1 1 36 36 ILE HG12 H 1 1.428 0.003 . . . . . . . . . . 4644 1 243 . 1 1 36 36 ILE HG13 H 1 1.153 0.003 . . . . . . . . . . 4644 1 244 . 1 1 36 36 ILE HD11 H 1 0.856 0.000 . . . . . . . . . . 4644 1 245 . 1 1 36 36 ILE HD12 H 1 0.856 0.000 . . . . . . . . . . 4644 1 246 . 1 1 36 36 ILE HD13 H 1 0.856 0.000 . . . . . . . . . . 4644 1 247 . 1 1 36 36 ILE N N 15 124.369 . . . . . . . . . . . 4644 1 stop_ save_ ######################## # Coupling constants # ######################## save_JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode JHNHA _Coupling_constant_list.Entry_ID 4644 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4644 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 SER H H 1 . . 1 1 2 2 SER HA H 1 . 5.1 . . . . . . . . . . . . . . 4644 1 2 3JHNHA . 1 1 3 3 LEU H H 1 . . 1 1 3 3 LEU HA H 1 . 7.3 . . . . . . . . . . . . . . 4644 1 3 3JHNHA . 1 1 7 7 ALA H H 1 . . 1 1 7 7 ALA HA H 1 . 6.4 . . . . . . . . . . . . . . 4644 1 4 3JHNHA . 1 1 8 8 ARG H H 1 . . 1 1 8 8 ARG HA H 1 . 8.3 . . . . . . . . . . . . . . 4644 1 5 3JHNHA . 1 1 9 9 PHE H H 1 . . 1 1 9 9 PHE HA H 1 . 9.4 . . . . . . . . . . . . . . 4644 1 6 3JHNHA . 1 1 10 10 MET H H 1 . . 1 1 10 10 MET HA H 1 . 8.1 . . . . . . . . . . . . . . 4644 1 7 3JHNHA . 1 1 11 11 CYS H H 1 . . 1 1 11 11 CYS HA H 1 . 9.8 . . . . . . . . . . . . . . 4644 1 8 3JHNHA . 1 1 12 12 LEU H H 1 . . 1 1 12 12 LEU HA H 1 . 5.3 . . . . . . . . . . . . . . 4644 1 9 3JHNHA . 1 1 14 14 CYS H H 1 . . 1 1 14 14 CYS HA H 1 . 8.8 . . . . . . . . . . . . . . 4644 1 10 3JHNHA . 1 1 16 16 ILE H H 1 . . 1 1 16 16 ILE HA H 1 . 5.5 . . . . . . . . . . . . . . 4644 1 11 3JHNHA . 1 1 17 17 ALA H H 1 . . 1 1 17 17 ALA HA H 1 . 9.7 . . . . . . . . . . . . . . 4644 1 12 3JHNHA . 1 1 18 18 PHE H H 1 . . 1 1 18 18 PHE HA H 1 . 10.5 . . . . . . . . . . . . . . 4644 1 13 3JHNHA . 1 1 19 19 SER H H 1 . . 1 1 19 19 SER HA H 1 . 5.4 . . . . . . . . . . . . . . 4644 1 14 3JHNHA . 1 1 20 20 SER H H 1 . . 1 1 20 20 SER HA H 1 . 7.9 . . . . . . . . . . . . . . 4644 1 15 3JHNHA . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR HA H 1 . 6.0 . . . . . . . . . . . . . . 4644 1 16 3JHNHA . 1 1 24 24 LEU H H 1 . . 1 1 24 24 LEU HA H 1 . 4.3 . . . . . . . . . . . . . . 4644 1 17 3JHNHA . 1 1 25 25 GLU H H 1 . . 1 1 25 25 GLU HA H 1 . 3.7 . . . . . . . . . . . . . . 4644 1 18 3JHNHA . 1 1 26 26 ALA H H 1 . . 1 1 26 26 ALA HA H 1 . 4.6 . . . . . . . . . . . . . . 4644 1 19 3JHNHA . 1 1 27 27 HIS H H 1 . . 1 1 27 27 HIS HA H 1 . 4.0 . . . . . . . . . . . . . . 4644 1 20 3JHNHA . 1 1 28 28 GLN H H 1 . . 1 1 28 28 GLN HA H 1 . 4.5 . . . . . . . . . . . . . . 4644 1 21 3JHNHA . 1 1 29 29 ALA H H 1 . . 1 1 29 29 ALA HA H 1 . 5.9 . . . . . . . . . . . . . . 4644 1 22 3JHNHA . 1 1 30 30 TYR H H 1 . . 1 1 30 30 TYR HA H 1 . 10.3 . . . . . . . . . . . . . . 4644 1 23 3JHNHA . 1 1 31 31 TYR H H 1 . . 1 1 31 31 TYR HA H 1 . 11.1 . . . . . . . . . . . . . . 4644 1 24 3JHNHA . 1 1 32 32 CYS H H 1 . . 1 1 32 32 CYS HA H 1 . 4.0 . . . . . . . . . . . . . . 4644 1 25 3JHNHA . 1 1 33 33 SER H H 1 . . 1 1 33 33 SER HA H 1 . 4.6 . . . . . . . . . . . . . . 4644 1 26 3JHNHA . 1 1 34 34 HIS H H 1 . . 1 1 34 34 HIS HA H 1 . 9.4 . . . . . . . . . . . . . . 4644 1 27 3JHNHA . 1 1 35 35 ARG H H 1 . . 1 1 35 35 ARG HA H 1 . 6.9 . . . . . . . . . . . . . . 4644 1 28 3JHNHA . 1 1 36 36 ILE H H 1 . . 1 1 36 36 ILE HA H 1 . 8.6 . . . . . . . . . . . . . . 4644 1 stop_ save_