data_19716 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19716 _Entry.Title ; Zn-binding domain of eukaryotic translation initiation factor 3, subunit G ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-03 _Entry.Accession_date 2014-01-03 _Entry.Last_release_date 2015-01-05 _Entry.Original_release_date 2015-01-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 'Mohamed Sameer' Al-Abdul-Wahid . . . 19716 2 Marie Menade . . . 19716 3 Jingwei Xie . . . 19716 4 Guennadi Kozlov . . . 19716 5 Kalle Gehring . . . 19716 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19716 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID eif3 . 19716 'eukaryotic translation initiation factor' . 19716 'zinc-binding domain' . 19716 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19716 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 78 19716 '15N chemical shifts' 24 19716 '1H chemical shifts' 152 19716 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 . . 2015-01-05 2014-01-03 original author . 19716 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MJC 'BMRB Entry Tracking System' 19716 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19716 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of the Zn-binding domain of eukaryotic translation initiation factor 3, subunit G' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proteins: Struct. Funct. Genet.' _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.Entry_ID _Citation_author.Citation_ID 1 'Mohamed Sameer' Al-Abdul-Wahid . . . 19716 1 2 Marie Menade . . . 19716 1 3 Jingwei Xie . . . 19716 1 4 Guennadi Kozlov . . . 19716 1 5 Kalle Gehring . . . 19716 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19716 _Assembly.ID 1 _Assembly.Name 'Zn-binding domain of eukaryotic translation initiation factor 3, subunit G' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . _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 entity_1 1 $entity_1 A . yes native no no . . . 19716 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 19716 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19716 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name eif3G_Zn _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KIVSCRICKGDHWTTRCPYK DTLG ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2787.301 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MJC . "Zn-binding Domain Of Eukaryotic Translation Initiation Factor 3, Subunit G" . . . . . 100.00 24 100.00 100.00 6.08e-08 . . . . 19716 1 2 no DBJ BAC29952 . "unnamed protein product [Mus musculus]" . . . . . 100.00 320 100.00 100.00 1.73e-09 . . . . 19716 1 3 no DBJ BAE40297 . "unnamed protein product [Mus musculus]" . . . . . 100.00 320 100.00 100.00 1.46e-09 . . . . 19716 1 4 no DBJ BAE87500 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 195 100.00 100.00 3.05e-09 . . . . 19716 1 5 no DBJ BAF84009 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 320 100.00 100.00 1.73e-09 . . . . 19716 1 6 no DBJ BAH11496 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 144 100.00 100.00 8.09e-08 . . . . 19716 1 7 no EMBL CAG12187 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 100.00 296 100.00 100.00 1.08e-09 . . . . 19716 1 8 no EMBL CAG33415 . "EIF3S4 [Homo sapiens]" . . . . . 100.00 320 100.00 100.00 1.73e-09 . . . . 19716 1 9 no EMBL CAJ83120 . "eukaryotic translation initiation factor 3, subunit 4 delta, 44kDa [Xenopus (Silurana) tropicalis]" . . . . . 100.00 310 100.00 100.00 7.01e-10 . . . . 19716 1 10 no EMBL CDQ73632 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 294 100.00 100.00 9.65e-10 . . . . 19716 1 11 no EMBL CDQ81098 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 294 100.00 100.00 9.65e-10 . . . . 19716 1 12 no GB AAB71866 . "eukaryotic translation initiation factor 3 subunit [Homo sapiens]" . . . . . 100.00 320 100.00 100.00 1.73e-09 . . . . 19716 1 13 no GB AAC78728 . "translation initiation factor eIF3 p44 subunit [Homo sapiens]" . . . . . 100.00 320 100.00 100.00 1.86e-09 . . . . 19716 1 14 no GB AAD00176 . "eIF3-p44 [Mus musculus]" . . . . . 100.00 320 100.00 100.00 1.86e-09 . . . . 19716 1 15 no GB AAF14221 . "eukaryotic translation initiation factor 3 p42 subunit [Mus musculus]" . . . . . 100.00 320 100.00 100.00 1.73e-09 . . . . 19716 1 16 no GB AAG15396 . "eukaryotic translation initiation factor 3 subunit p42/p44 [Homo sapiens]" . . . . . 100.00 320 100.00 100.00 1.73e-09 . . . . 19716 1 17 no REF NP_001013113 . "eukaryotic translation initiation factor 3 subunit G [Rattus norvegicus]" . . . . . 100.00 320 100.00 100.00 1.63e-09 . . . . 19716 1 18 no REF NP_001016749 . "eukaryotic translation initiation factor 3 subunit G [Xenopus (Silurana) tropicalis]" . . . . . 100.00 310 100.00 100.00 7.01e-10 . . . . 19716 1 19 no REF NP_001073091 . "eukaryotic translation initiation factor 3 subunit G [Bos taurus]" . . . . . 100.00 320 100.00 100.00 1.63e-09 . . . . 19716 1 20 no REF NP_001086477 . "eukaryotic translation initiation factor 3 subunit G-A [Xenopus laevis]" . . . . . 100.00 308 100.00 100.00 7.39e-10 . . . . 19716 1 21 no REF NP_001087888 . "eukaryotic translation initiation factor 3 subunit G-B [Xenopus laevis]" . . . . . 100.00 308 100.00 100.00 7.39e-10 . . . . 19716 1 22 no SP O75821 . "RecName: Full=Eukaryotic translation initiation factor 3 subunit G; Short=eIF3g; AltName: Full=Eukaryotic translation initiatio" . . . . . 100.00 320 100.00 100.00 1.73e-09 . . . . 19716 1 23 no SP Q28CY2 . "RecName: Full=Eukaryotic translation initiation factor 3 subunit G; Short=eIF3g; AltName: Full=Eukaryotic translation initiatio" . . . . . 100.00 310 100.00 100.00 7.01e-10 . . . . 19716 1 24 no SP Q3ZC12 . "RecName: Full=Eukaryotic translation initiation factor 3 subunit G; Short=eIF3g; AltName: Full=Eukaryotic translation initiatio" . . . . . 100.00 320 100.00 100.00 1.63e-09 . . . . 19716 1 25 no SP Q5RK09 . "RecName: Full=Eukaryotic translation initiation factor 3 subunit G; Short=eIF3g; AltName: Full=Eukaryotic translation initiatio" . . . . . 100.00 320 100.00 100.00 1.63e-09 . . . . 19716 1 26 no SP Q641B2 . "RecName: Full=Eukaryotic translation initiation factor 3 subunit G-B; Short=eIF3g-B; AltName: Full=Eukaryotic translation initi" . . . . . 100.00 308 100.00 100.00 7.39e-10 . . . . 19716 1 27 no TPG DAA27948 . "TPA: eukaryotic translation initiation factor 3 subunit G [Bos taurus]" . . . . . 100.00 320 100.00 100.00 1.73e-09 . . . . 19716 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 . LYS . 19716 1 2 . ILE . 19716 1 3 . VAL . 19716 1 4 . SER . 19716 1 5 . CYS . 19716 1 6 . ARG . 19716 1 7 . ILE . 19716 1 8 . CYS . 19716 1 9 . LYS . 19716 1 10 . GLY . 19716 1 11 . ASP . 19716 1 12 . HIS . 19716 1 13 . TRP . 19716 1 14 . THR . 19716 1 15 . THR . 19716 1 16 . ARG . 19716 1 17 . CYS . 19716 1 18 . PRO . 19716 1 19 . TYR . 19716 1 20 . LYS . 19716 1 21 . ASP . 19716 1 22 . THR . 19716 1 23 . LEU . 19716 1 24 . GLY . 19716 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 . LYS 1 1 19716 1 . ILE 2 2 19716 1 . VAL 3 3 19716 1 . SER 4 4 19716 1 . CYS 5 5 19716 1 . ARG 6 6 19716 1 . ILE 7 7 19716 1 . CYS 8 8 19716 1 . LYS 9 9 19716 1 . GLY 10 10 19716 1 . ASP 11 11 19716 1 . HIS 12 12 19716 1 . TRP 13 13 19716 1 . THR 14 14 19716 1 . THR 15 15 19716 1 . ARG 16 16 19716 1 . CYS 17 17 19716 1 . PRO 18 18 19716 1 . TYR 19 19 19716 1 . LYS 20 20 19716 1 . ASP 21 21 19716 1 . THR 22 22 19716 1 . LEU 23 23 19716 1 . GLY 24 24 19716 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19716 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19716 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19716 2 ZN 'Three letter code' 19716 2 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 1 ZN $chem_comp_ZN 19716 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 19716 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19716 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 19716 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6p1 . . . . . . 19716 1 2 2 $entity_ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19716 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 19716 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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 InChI=1S/Zn/q+2 InChI InChI 1.03 19716 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19716 ZN [Zn++] SMILES CACTVS 3.341 19716 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19716 ZN [Zn+2] SMILES ACDLabs 10.04 19716 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19716 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19716 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 19716 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19716 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19716 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19716 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 eif3G_Zn 'natural abundance' . . 1 $entity_1 . . 10 . . mM . . . . 19716 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 19716 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19716 1 4 'zinc chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 19716 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19716 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19716 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 19716 _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 'ionic strength' 0 . mM 19716 1 pH 6.3 1 pH 19716 1 pressure 1 . atm 19716 1 temperature 298 .2 K 19716 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19716 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19716 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19716 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19716 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19716 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19716 2 'peak picking' 19716 2 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 19716 _Software.ID 3 _Software.Name XPLOR-NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19716 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19716 3 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 19716 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19716 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19716 _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 Avance . 600 . . . 19716 1 2 spectrometer_2 Varian INOVA . 500 . . . 19716 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 19716 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 19716 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 19716 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_2 . . . . . . . . . . . . . . . . 19716 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_2 . . . . . . . . . . . . . . . . 19716 1 5 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_2 . . . . . . . . . . . . . . . . 19716 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_2 . . . . . . . . . . . . . . . . 19716 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 19716 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 19716 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19716 _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 C 13 water protons . . . . ppm 4.768 internal indirect 0.251449530 . . . . . . . . . 19716 1 H 1 water protons . . . . ppm 4.768 internal direct 1.0 . . . . . . . . . 19716 1 N 15 water protons . . . . ppm 4.768 internal indirect 0.101329118 . . . . . . . . . 19716 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19716 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 '3D CBCA(CO)NH' . . . 19716 1 2 '3D HCCH-TOCSY' . . . 19716 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 1 1 LYS H H 1 8.4442 0.0000 . 1 . 2642 . A 1 LYS H . 19716 1 2 . 1 1 1 1 LYS HA H 1 4.3287 0.0000 . 1 . . . A 1 LYS HA . 19716 1 3 . 1 1 1 1 LYS HB2 H 1 1.7139 0.0000 . 2 . . . A 1 LYS HB2 . 19716 1 4 . 1 1 1 1 LYS HB3 H 1 1.3657 0.0000 . 2 . . . A 1 LYS HB3 . 19716 1 5 . 1 1 1 1 LYS HG2 H 1 1.4075 0.0000 . 2 . . . A 1 LYS HG2 . 19716 1 6 . 1 1 1 1 LYS HG3 H 1 1.4099 0.0000 . 2 . . . A 1 LYS HG3 . 19716 1 7 . 1 1 1 1 LYS HD2 H 1 1.7170 0.0000 . 2 . . . A 1 LYS HD2 . 19716 1 8 . 1 1 1 1 LYS HE2 H 1 2.9744 0.0000 . 2 . . . A 1 LYS HE2 . 19716 1 9 . 1 1 1 1 LYS CA C 13 28.3826 0.0000 . 1 . 2186 . A 1 LYS CA . 19716 1 10 . 1 1 1 1 LYS CB C 13 33.6298 0.0000 . 1 . 2210 . A 1 LYS CB . 19716 1 11 . 1 1 1 1 LYS CG C 13 24.7879 0.0000 . 1 . . . A 1 LYS CG . 19716 1 12 . 1 1 1 1 LYS N N 15 123.3586 0.0000 . 1 . 2643 . A 1 LYS N . 19716 1 13 . 1 1 2 2 ILE H H 1 8.2268 0.0000 . 1 . 2640 . A 2 ILE H . 19716 1 14 . 1 1 2 2 ILE HA H 1 4.0656 0.0000 . 1 . . . A 2 ILE HA . 19716 1 15 . 1 1 2 2 ILE HB H 1 1.7357 0.0000 . 1 . . . A 2 ILE HB . 19716 1 16 . 1 1 2 2 ILE HG12 H 1 1.4111 0.0000 . 2 . . . A 2 ILE HG12 . 19716 1 17 . 1 1 2 2 ILE HG13 H 1 1.1247 0.0000 . 2 . . . A 2 ILE HG13 . 19716 1 18 . 1 1 2 2 ILE HG21 H 1 0.7862 0.0000 . 1 . . . A 2 ILE HG21 . 19716 1 19 . 1 1 2 2 ILE HG22 H 1 0.7862 0.0000 . 1 . . . A 2 ILE HG22 . 19716 1 20 . 1 1 2 2 ILE HG23 H 1 0.7862 0.0000 . 1 . . . A 2 ILE HG23 . 19716 1 21 . 1 1 2 2 ILE HD11 H 1 0.7895 0.0000 . 1 . . . A 2 ILE HD11 . 19716 1 22 . 1 1 2 2 ILE HD12 H 1 0.7895 0.0000 . 1 . . . A 2 ILE HD12 . 19716 1 23 . 1 1 2 2 ILE HD13 H 1 0.7895 0.0000 . 1 . . . A 2 ILE HD13 . 19716 1 24 . 1 1 2 2 ILE CA C 13 33.2123 0.0000 . 1 . 2183 . A 2 ILE CA . 19716 1 25 . 1 1 2 2 ILE CB C 13 38.8006 0.0000 . 1 . 2195 . A 2 ILE CB . 19716 1 26 . 1 1 2 2 ILE CG1 C 13 27.3936 0.0000 . 1 . . . A 2 ILE CG1 . 19716 1 27 . 1 1 2 2 ILE CG2 C 13 45.2705 0.0000 . 1 . . . A 2 ILE CG2 . 19716 1 28 . 1 1 2 2 ILE CD1 C 13 40.6225 0.0000 . 1 . . . A 2 ILE CD1 . 19716 1 29 . 1 1 2 2 ILE N N 15 123.6061 0.0000 . 1 . 2641 . A 2 ILE N . 19716 1 30 . 1 1 3 3 VAL H H 1 8.0721 0.0000 . 1 . 2648 . A 3 VAL H . 19716 1 31 . 1 1 3 3 VAL HA H 1 3.8382 0.0000 . 1 . . . A 3 VAL HA . 19716 1 32 . 1 1 3 3 VAL HB H 1 1.7207 0.0000 . 1 . . . A 3 VAL HB . 19716 1 33 . 1 1 3 3 VAL HG11 H 1 0.6047 0.0000 . 2 . . . A 3 VAL HG11 . 19716 1 34 . 1 1 3 3 VAL HG12 H 1 0.6047 0.0000 . 2 . . . A 3 VAL HG12 . 19716 1 35 . 1 1 3 3 VAL HG13 H 1 0.6047 0.0000 . 2 . . . A 3 VAL HG13 . 19716 1 36 . 1 1 3 3 VAL HG21 H 1 0.3995 0.0000 . 2 . . . A 3 VAL HG21 . 19716 1 37 . 1 1 3 3 VAL HG22 H 1 0.3995 0.0000 . 2 . . . A 3 VAL HG22 . 19716 1 38 . 1 1 3 3 VAL HG23 H 1 0.3995 0.0000 . 2 . . . A 3 VAL HG23 . 19716 1 39 . 1 1 3 3 VAL CA C 13 33.8377 0.0000 . 1 . 2138 . A 3 VAL CA . 19716 1 40 . 1 1 3 3 VAL CB C 13 32.7389 0.0000 . 1 . 2153 . A 3 VAL CB . 19716 1 41 . 1 1 3 3 VAL CG1 C 13 48.2281 0.0000 . 2 . . . A 3 VAL CG1 . 19716 1 42 . 1 1 3 3 VAL CG2 C 13 48.4400 0.0000 . 2 . . . A 3 VAL CG2 . 19716 1 43 . 1 1 3 3 VAL N N 15 125.8212 0.0000 . 1 . 2649 . A 3 VAL N . 19716 1 44 . 1 1 4 4 SER H H 1 7.8217 0.0000 . 1 . 2668 . A 4 SER H . 19716 1 45 . 1 1 4 4 SER HA H 1 4.5187 0.0000 . 1 . . . A 4 SER HA . 19716 1 46 . 1 1 4 4 SER HB2 H 1 3.4886 0.0000 . 2 . . . A 4 SER HB2 . 19716 1 47 . 1 1 4 4 SER HB3 H 1 3.5311 0.0000 . 2 . . . A 4 SER HB3 . 19716 1 48 . 1 1 4 4 SER CA C 13 29.1086 0.0000 . 1 . 2312 . A 4 SER CA . 19716 1 49 . 1 1 4 4 SER CB C 13 36.5225 0.0000 . 1 . 2291 . A 4 SER CB . 19716 1 50 . 1 1 4 4 SER N N 15 119.0844 0.0000 . 1 . 2669 . A 4 SER N . 19716 1 51 . 1 1 5 5 CYS H H 1 8.5850 0.0000 . 1 . 2460 . A 5 CYS H . 19716 1 52 . 1 1 5 5 CYS HA H 1 4.3146 0.0000 . 1 . . . A 5 CYS HA . 19716 1 53 . 1 1 5 5 CYS HB2 H 1 2.6554 0.0000 . 2 . . . A 5 CYS HB2 . 19716 1 54 . 1 1 5 5 CYS HB3 H 1 2.5078 0.0000 . 2 . . . A 5 CYS HB3 . 19716 1 55 . 1 1 5 5 CYS CA C 13 31.8584 0.0000 . 1 . 2129 . A 5 CYS CA . 19716 1 56 . 1 1 5 5 CYS CB C 13 30.0267 0.0000 . 1 . 2135 . A 5 CYS CB . 19716 1 57 . 1 1 5 5 CYS N N 15 129.0813 0.0000 . 1 . 2461 . A 5 CYS N . 19716 1 58 . 1 1 6 6 ARG H H 1 9.1196 0.0000 . 1 . 2634 . A 6 ARG H . 19716 1 59 . 1 1 6 6 ARG HA H 1 4.1363 0.0000 . 1 . . . A 6 ARG HA . 19716 1 60 . 1 1 6 6 ARG HB2 H 1 1.9838 0.0000 . 2 . . . A 6 ARG HB2 . 19716 1 61 . 1 1 6 6 ARG HB3 H 1 1.8029 0.0000 . 2 . . . A 6 ARG HB3 . 19716 1 62 . 1 1 6 6 ARG HG2 H 1 1.8622 0.0000 . 2 . . . A 6 ARG HG2 . 19716 1 63 . 1 1 6 6 ARG HG3 H 1 1.7915 0.0000 . 2 . . . A 6 ARG HG3 . 19716 1 64 . 1 1 6 6 ARG HD2 H 1 3.3071 0.0000 . 2 . . . A 6 ARG HD2 . 19716 1 65 . 1 1 6 6 ARG CA C 13 30.6710 0.0000 . 1 . 2120 . A 6 ARG CA . 19716 1 66 . 1 1 6 6 ARG CB C 13 30.8072 0.0000 . 1 . 2123 . A 6 ARG CB . 19716 1 67 . 1 1 6 6 ARG CG C 13 27.7988 0.0000 . 1 . . . A 6 ARG CG . 19716 1 68 . 1 1 6 6 ARG CD C 13 43.2067 0.0000 . 1 . . . A 6 ARG CD . 19716 1 69 . 1 1 6 6 ARG N N 15 130.2553 0.0000 . 1 . 2635 . A 6 ARG N . 19716 1 70 . 1 1 7 7 ILE H H 1 9.6730 0.0000 . 1 . 2493 . A 7 ILE H . 19716 1 71 . 1 1 7 7 ILE HA H 1 3.9613 0.0000 . 1 . . . A 7 ILE HA . 19716 1 72 . 1 1 7 7 ILE HB H 1 2.5400 0.0000 . 1 . . . A 7 ILE HB . 19716 1 73 . 1 1 7 7 ILE HG12 H 1 1.6548 0.0000 . 2 . . . A 7 ILE HG12 . 19716 1 74 . 1 1 7 7 ILE HG13 H 1 1.0607 0.0000 . 2 . . . A 7 ILE HG13 . 19716 1 75 . 1 1 7 7 ILE HG21 H 1 0.9509 0.0000 . 1 . . . A 7 ILE HG21 . 19716 1 76 . 1 1 7 7 ILE HG22 H 1 0.9509 0.0000 . 1 . . . A 7 ILE HG22 . 19716 1 77 . 1 1 7 7 ILE HG23 H 1 0.9509 0.0000 . 1 . . . A 7 ILE HG23 . 19716 1 78 . 1 1 7 7 ILE HD11 H 1 0.8283 0.0000 . 1 . . . A 7 ILE HD11 . 19716 1 79 . 1 1 7 7 ILE HD12 H 1 0.8283 0.0000 . 1 . . . A 7 ILE HD12 . 19716 1 80 . 1 1 7 7 ILE HD13 H 1 0.8283 0.0000 . 1 . . . A 7 ILE HD13 . 19716 1 81 . 1 1 7 7 ILE CA C 13 36.4094 0.0000 . 1 . 2168 . A 7 ILE CA . 19716 1 82 . 1 1 7 7 ILE CB C 13 38.2941 0.0000 . 1 . 2201 . A 7 ILE CB . 19716 1 83 . 1 1 7 7 ILE CG1 C 13 28.5500 0.0000 . 1 . . . A 7 ILE CG1 . 19716 1 84 . 1 1 7 7 ILE CG2 C 13 41.5301 0.0000 . 1 . . . A 7 ILE CG2 . 19716 1 85 . 1 1 7 7 ILE CD1 C 13 46.0053 0.0000 . 1 . . . A 7 ILE CD1 . 19716 1 86 . 1 1 7 7 ILE N N 15 123.3842 0.0000 . 1 . 2494 . A 7 ILE N . 19716 1 87 . 1 1 8 8 CYS H H 1 8.7845 0.0000 . 1 . 2553 . A 8 CYS H . 19716 1 88 . 1 1 8 8 CYS HA H 1 4.9843 0.0000 . 1 . . . A 8 CYS HA . 19716 1 89 . 1 1 8 8 CYS HB2 H 1 3.2810 0.0000 . 2 . . . A 8 CYS HB2 . 19716 1 90 . 1 1 8 8 CYS HB3 H 1 2.5335 0.0000 . 2 . . . A 8 CYS HB3 . 19716 1 91 . 1 1 8 8 CYS CA C 13 30.6688 0.0000 . 1 . 2294 . A 8 CYS CA . 19716 1 92 . 1 1 8 8 CYS CB C 13 33.1698 0.0000 . 1 . 2321 . A 8 CYS CB . 19716 1 93 . 1 1 8 8 CYS N N 15 118.6018 0.0000 . 1 . 2554 . A 8 CYS N . 19716 1 94 . 1 1 9 9 LYS H H 1 7.7784 0.0000 . 1 . 2577 . A 9 LYS H . 19716 1 95 . 1 1 9 9 LYS HA H 1 4.3125 0.0000 . 1 . . . A 9 LYS HA . 19716 1 96 . 1 1 9 9 LYS HB2 H 1 2.2010 0.0000 . 2 . . . A 9 LYS HB2 . 19716 1 97 . 1 1 9 9 LYS HB3 H 1 2.0314 0.0000 . 2 . . . A 9 LYS HB3 . 19716 1 98 . 1 1 9 9 LYS HG2 H 1 1.3331 0.0000 . 2 . . . A 9 LYS HG2 . 19716 1 99 . 1 1 9 9 LYS HD2 H 1 1.6564 0.0000 . 2 . . . A 9 LYS HD2 . 19716 1 100 . 1 1 9 9 LYS HE2 H 1 2.9324 0.0000 . 2 . . . A 9 LYS HE2 . 19716 1 101 . 1 1 9 9 LYS CA C 13 30.6809 0.0000 . 1 . 2339 . A 9 LYS CA . 19716 1 102 . 1 1 9 9 LYS CB C 13 29.3794 0.0000 . 1 . 2348 . A 9 LYS CB . 19716 1 103 . 1 1 9 9 LYS CG C 13 25.4130 0.0000 . 1 . . . A 9 LYS CG . 19716 1 104 . 1 1 9 9 LYS CE C 13 42.1216 0.0000 . 1 . . . A 9 LYS CE . 19716 1 105 . 1 1 9 9 LYS N N 15 117.4516 0.0000 . 1 . 2578 . A 9 LYS N . 19716 1 106 . 1 1 10 10 GLY H H 1 9.1402 0.0000 . 1 . 2601 . A 10 GLY H . 19716 1 107 . 1 1 10 10 GLY HA2 H 1 4.1969 0.0000 . 2 . . . A 10 GLY HA2 . 19716 1 108 . 1 1 10 10 GLY HA3 H 1 3.4808 0.0000 . 2 . . . A 10 GLY HA3 . 19716 1 109 . 1 1 10 10 GLY CA C 13 43.3535 0.0000 . 1 . 2366 . A 10 GLY CA . 19716 1 110 . 1 1 10 10 GLY N N 15 112.3053 0.0000 . 1 . 2602 . A 10 GLY N . 19716 1 111 . 1 1 11 11 ASP H H 1 8.3725 0.0000 . 1 . 2662 . A 11 ASP H . 19716 1 112 . 1 1 11 11 ASP HA H 1 4.7223 0.0000 . 1 . . . A 11 ASP HA . 19716 1 113 . 1 1 11 11 ASP HB2 H 1 2.6150 0.0000 . 2 . . . A 11 ASP HB2 . 19716 1 114 . 1 1 11 11 ASP HB3 H 1 2.5392 0.0000 . 2 . . . A 11 ASP HB3 . 19716 1 115 . 1 1 11 11 ASP CA C 13 24.8368 0.0000 . 1 . 2249 . A 11 ASP CA . 19716 1 116 . 1 1 11 11 ASP CB C 13 39.0106 0.0000 . 1 . 2264 . A 11 ASP CB . 19716 1 117 . 1 1 11 11 ASP N N 15 119.7177 0.0000 . 1 . 2663 . A 11 ASP N . 19716 1 118 . 1 1 12 12 HIS H H 1 7.2605 0.0000 . 1 . 2589 . A 12 HIS H . 19716 1 119 . 1 1 12 12 HIS HA H 1 4.5615 0.0000 . 1 . . . A 12 HIS HA . 19716 1 120 . 1 1 12 12 HIS HB2 H 1 3.3357 0.0000 . 2 . . . A 12 HIS HB2 . 19716 1 121 . 1 1 12 12 HIS HB3 H 1 3.0419 0.0000 . 2 . . . A 12 HIS HB3 . 19716 1 122 . 1 1 12 12 HIS HD2 H 1 6.8239 0.0000 . 1 . . . A 12 HIS HD2 . 19716 1 123 . 1 1 12 12 HIS HE1 H 1 7.8345 0.0000 . 1 . . . A 12 HIS HE1 . 19716 1 124 . 1 1 12 12 HIS CA C 13 25.9907 0.0000 . 1 . 2351 . A 12 HIS CA . 19716 1 125 . 1 1 12 12 HIS CB C 13 30.4906 0.0000 . 1 . 2354 . A 12 HIS CB . 19716 1 126 . 1 1 12 12 HIS CD2 C 13 44.3704 0.0000 . 1 . . . A 12 HIS CD2 . 19716 1 127 . 1 1 12 12 HIS CE1 C 13 25.6125 0.0000 . 1 . . . A 12 HIS CE1 . 19716 1 128 . 1 1 12 12 HIS N N 15 115.2904 0.0000 . 1 . 2590 . A 12 HIS N . 19716 1 129 . 1 1 13 13 TRP H H 1 8.3573 0.0000 . 1 . 2672 . A 13 TRP H . 19716 1 130 . 1 1 13 13 TRP HA H 1 4.7520 0.0000 . 1 . . . A 13 TRP HA . 19716 1 131 . 1 1 13 13 TRP HB2 H 1 3.5339 0.0000 . 2 . . . A 13 TRP HB2 . 19716 1 132 . 1 1 13 13 TRP HB3 H 1 2.9385 0.0000 . 2 . . . A 13 TRP HB3 . 19716 1 133 . 1 1 13 13 TRP HD1 H 1 7.3275 0.0000 . 1 . . . A 13 TRP HD1 . 19716 1 134 . 1 1 13 13 TRP HE1 H 1 10.2300 0.0000 . 1 . . . A 13 TRP HE1 . 19716 1 135 . 1 1 13 13 TRP HE3 H 1 7.7223 0.0000 . 1 . . . A 13 TRP HE3 . 19716 1 136 . 1 1 13 13 TRP HZ2 H 1 7.5097 0.0000 . 1 . . . A 13 TRP HZ2 . 19716 1 137 . 1 1 13 13 TRP HZ3 H 1 7.1990 0.0000 . 1 . . . A 13 TRP HZ3 . 19716 1 138 . 1 1 13 13 TRP HH2 H 1 7.2583 0.0000 . 1 . . . A 13 TRP HH2 . 19716 1 139 . 1 1 13 13 TRP CA C 13 28.7436 0.0000 . 1 . 2306 . A 13 TRP CA . 19716 1 140 . 1 1 13 13 TRP CB C 13 30.1384 0.0000 . 1 . 2441 . A 13 TRP CB . 19716 1 141 . 1 1 13 13 TRP CD1 C 13 42.0288 0.0000 . 1 . . . A 13 TRP CD1 . 19716 1 142 . 1 1 13 13 TRP CE3 C 13 36.8314 0.0000 . 1 . . . A 13 TRP CE3 . 19716 1 143 . 1 1 13 13 TRP CZ2 C 13 30.7281 0.0000 . 1 . . . A 13 TRP CZ2 . 19716 1 144 . 1 1 13 13 TRP CZ3 C 13 38.0334 0.0000 . 1 . . . A 13 TRP CZ3 . 19716 1 145 . 1 1 13 13 TRP CH2 C 13 40.9008 0.0000 . 1 . . . A 13 TRP CH2 . 19716 1 146 . 1 1 13 13 TRP N N 15 117.6668 0.0000 . 1 . 2673 . A 13 TRP N . 19716 1 147 . 1 1 13 13 TRP NE1 N 15 128.8700 0.0000 . 1 . . . A 13 TRP NE1 . 19716 1 148 . 1 1 14 14 THR H H 1 8.6933 0.0000 . 1 . . . A 14 THR H . 19716 1 149 . 1 1 14 14 THR HA H 1 5.3294 0.0000 . 1 . . . A 14 THR HA . 19716 1 150 . 1 1 14 14 THR HB H 1 4.3159 0.0000 . 1 . . . A 14 THR HB . 19716 1 151 . 1 1 14 14 THR HG21 H 1 1.4834 0.0000 . 1 . . . A 14 THR HG21 . 19716 1 152 . 1 1 14 14 THR HG22 H 1 1.4834 0.0000 . 1 . . . A 14 THR HG22 . 19716 1 153 . 1 1 14 14 THR HG23 H 1 1.4834 0.0000 . 1 . . . A 14 THR HG23 . 19716 1 154 . 1 1 14 14 THR CA C 13 37.9867 0.0000 . 1 . 2627 . A 14 THR CA . 19716 1 155 . 1 1 14 14 THR CB C 13 42.0043 0.0000 . 1 . 2624 . A 14 THR CB . 19716 1 156 . 1 1 14 14 THR CG2 C 13 50.8598 0.0000 . 1 . . . A 14 THR CG2 . 19716 1 157 . 1 1 14 14 THR N N 15 120.6353 0.0000 . 1 . . . A 14 THR N . 19716 1 158 . 1 1 15 15 THR H H 1 7.7374 0.0000 . 1 . 2688 . A 15 THR H . 19716 1 159 . 1 1 15 15 THR HA H 1 4.0971 0.0000 . 1 . . . A 15 THR HA . 19716 1 160 . 1 1 15 15 THR HB H 1 4.3190 0.0000 . 1 . . . A 15 THR HB . 19716 1 161 . 1 1 15 15 THR HG21 H 1 1.3322 0.0000 . 1 . . . A 15 THR HG21 . 19716 1 162 . 1 1 15 15 THR HG22 H 1 1.3322 0.0000 . 1 . . . A 15 THR HG22 . 19716 1 163 . 1 1 15 15 THR HG23 H 1 1.3322 0.0000 . 1 . . . A 15 THR HG23 . 19716 1 164 . 1 1 15 15 THR CA C 13 35.6174 0.0000 . 1 . 2426 . A 15 THR CA . 19716 1 165 . 1 1 15 15 THR CB C 13 40.8783 0.0000 . 1 . 2402 . A 15 THR CB . 19716 1 166 . 1 1 15 15 THR CG2 C 13 50.7432 0.0000 . 1 . . . A 15 THR CG2 . 19716 1 167 . 1 1 15 15 THR N N 15 108.0645 0.0000 . 1 . 2689 . A 15 THR N . 19716 1 168 . 1 1 16 16 ARG H H 1 7.9764 0.0000 . 1 . 2529 . A 16 ARG H . 19716 1 169 . 1 1 16 16 ARG HA H 1 4.5362 0.0000 . 1 . . . A 16 ARG HA . 19716 1 170 . 1 1 16 16 ARG HB2 H 1 2.1192 0.0000 . 2 . . . A 16 ARG HB2 . 19716 1 171 . 1 1 16 16 ARG HB3 H 1 1.7100 0.0000 . 2 . . . A 16 ARG HB3 . 19716 1 172 . 1 1 16 16 ARG HG2 H 1 1.7287 0.0000 . 2 . . . A 16 ARG HG2 . 19716 1 173 . 1 1 16 16 ARG HG3 H 1 1.6117 0.0000 . 2 . . . A 16 ARG HG3 . 19716 1 174 . 1 1 16 16 ARG HD2 H 1 3.1764 0.0000 . 2 . . . A 16 ARG HD2 . 19716 1 175 . 1 1 16 16 ARG CA C 13 26.0313 0.0000 . 1 . 2255 . A 16 ARG CA . 19716 1 176 . 1 1 16 16 ARG CB C 13 30.3245 0.0000 . 1 . 2282 . A 16 ARG CB . 19716 1 177 . 1 1 16 16 ARG CG C 13 27.0679 0.0000 . 1 . . . A 16 ARG CG . 19716 1 178 . 1 1 16 16 ARG CD C 13 43.0218 0.0000 . 1 . . . A 16 ARG CD . 19716 1 179 . 1 1 16 16 ARG N N 15 119.9565 0.0000 . 1 . 2530 . A 16 ARG N . 19716 1 180 . 1 1 17 17 CYS H H 1 7.5451 0.0000 . 1 . 2472 . A 17 CYS H . 19716 1 181 . 1 1 17 17 CYS HA H 1 4.0156 0.0000 . 1 . . . A 17 CYS HA . 19716 1 182 . 1 1 17 17 CYS HB2 H 1 3.6892 0.0000 . 2 . . . A 17 CYS HB2 . 19716 1 183 . 1 1 17 17 CYS HB3 H 1 2.8408 0.0000 . 2 . . . A 17 CYS HB3 . 19716 1 184 . 1 1 17 17 CYS CA C 13 30.8889 0.0000 . 1 . 2144 . A 17 CYS CA . 19716 1 185 . 1 1 17 17 CYS CB C 13 31.9158 0.0000 . 1 . 2706 . A 17 CYS CB . 19716 1 186 . 1 1 17 17 CYS N N 15 125.7286 0.0000 . 1 . 2473 . A 17 CYS N . 19716 1 187 . 1 1 18 18 PRO HA H 1 4.3165 0.0000 . 1 . . . A 18 PRO HA . 19716 1 188 . 1 1 18 18 PRO HB2 H 1 1.9967 0.0000 . 2 . . . A 18 PRO HB2 . 19716 1 189 . 1 1 18 18 PRO HB3 H 1 1.1741 0.0000 . 2 . . . A 18 PRO HB3 . 19716 1 190 . 1 1 18 18 PRO HG2 H 1 1.6054 0.0000 . 2 . . . A 18 PRO HG2 . 19716 1 191 . 1 1 18 18 PRO HG3 H 1 1.2315 0.0000 . 2 . . . A 18 PRO HG3 . 19716 1 192 . 1 1 18 18 PRO HD2 H 1 3.6570 0.0000 . 2 . . . A 18 PRO HD2 . 19716 1 193 . 1 1 18 18 PRO HD3 H 1 3.0029 0.0000 . 2 . . . A 18 PRO HD3 . 19716 1 194 . 1 1 18 18 PRO CA C 13 35.8773 0.0000 . 1 . 2525 . A 18 PRO CA . 19716 1 195 . 1 1 18 18 PRO CB C 13 31.8078 0.0000 . 1 . 2705 . A 18 PRO CB . 19716 1 196 . 1 1 18 18 PRO CG C 13 26.1890 0.0000 . 1 . . . A 18 PRO CG . 19716 1 197 . 1 1 18 18 PRO CD C 13 50.9125 0.0000 . 1 . . . A 18 PRO CD . 19716 1 198 . 1 1 19 19 TYR H H 1 9.2793 0.0000 . 1 . 2547 . A 19 TYR H . 19716 1 199 . 1 1 19 19 TYR HA H 1 4.7522 0.0000 . 1 . . . A 19 TYR HA . 19716 1 200 . 1 1 19 19 TYR HB2 H 1 3.3328 0.0000 . 2 . . . A 19 TYR HB2 . 19716 1 201 . 1 1 19 19 TYR HB3 H 1 2.9276 0.0000 . 2 . . . A 19 TYR HB3 . 19716 1 202 . 1 1 19 19 TYR HD2 H 1 7.1880 0.0000 . 3 . . . A 19 TYR HD2 . 19716 1 203 . 1 1 19 19 TYR HE2 H 1 6.9019 0.0000 . 3 . . . A 19 TYR HE2 . 19716 1 204 . 1 1 19 19 TYR CA C 13 28.8963 0.0000 . 1 . 2219 . A 19 TYR CA . 19716 1 205 . 1 1 19 19 TYR CB C 13 37.7830 0.0000 . 1 . 2270 . A 19 TYR CB . 19716 1 206 . 1 1 19 19 TYR CD2 C 13 49.2004 0.0000 . 2 . . . A 19 TYR CD2 . 19716 1 207 . 1 1 19 19 TYR CE2 C 13 34.1221 0.0000 . 2 . . . A 19 TYR CE2 . 19716 1 208 . 1 1 19 19 TYR N N 15 120.9965 0.0000 . 1 . 2548 . A 19 TYR N . 19716 1 209 . 1 1 20 20 LYS H H 1 7.4792 0.0000 . 1 . 2544 . A 20 LYS H . 19716 1 210 . 1 1 20 20 LYS HA H 1 4.0972 0.0000 . 1 . . . A 20 LYS HA . 19716 1 211 . 1 1 20 20 LYS HB2 H 1 1.8674 0.0000 . 2 . . . A 20 LYS HB2 . 19716 1 212 . 1 1 20 20 LYS HG2 H 1 1.4384 0.0000 . 2 . . . A 20 LYS HG2 . 19716 1 213 . 1 1 20 20 LYS HD2 H 1 1.6899 0.0000 . 2 . . . A 20 LYS HD2 . 19716 1 214 . 1 1 20 20 LYS HE2 H 1 3.0115 0.0000 . 2 . . . A 20 LYS HE2 . 19716 1 215 . 1 1 20 20 LYS CA C 13 30.6971 0.0000 . 1 . 2240 . A 20 LYS CA . 19716 1 216 . 1 1 20 20 LYS CG C 13 52.0289 0.0000 . 1 . . . A 20 LYS CG . 19716 1 217 . 1 1 20 20 LYS N N 15 120.5321 0.0000 . 1 . 2545 . A 20 LYS N . 19716 1 218 . 1 1 21 21 ASP H H 1 8.5411 0.0000 . 1 . 2664 . A 21 ASP H . 19716 1 219 . 1 1 21 21 ASP HA H 1 4.7042 0.0000 . 1 . . . A 21 ASP HA . 19716 1 220 . 1 1 21 21 ASP HB2 H 1 2.7842 0.0000 . 2 . . . A 21 ASP HB2 . 19716 1 221 . 1 1 21 21 ASP HB3 H 1 2.6347 0.0000 . 2 . . . A 21 ASP HB3 . 19716 1 222 . 1 1 21 21 ASP CA C 13 26.9945 0.0000 . 1 . 2303 . A 21 ASP CA . 19716 1 223 . 1 1 21 21 ASP CB C 13 40.9318 0.0000 . 1 . 2315 . A 21 ASP CB . 19716 1 224 . 1 1 21 21 ASP N N 15 118.9432 0.0000 . 1 . 2665 . A 21 ASP N . 19716 1 225 . 1 1 22 22 THR H H 1 7.8413 0.0000 . 1 . 2595 . A 22 THR H . 19716 1 226 . 1 1 22 22 THR HA H 1 4.3805 0.0000 . 1 . . . A 22 THR HA . 19716 1 227 . 1 1 22 22 THR HB H 1 4.2843 0.0000 . 1 . . . A 22 THR HB . 19716 1 228 . 1 1 22 22 THR HG21 H 1 1.2365 0.0000 . 1 . . . A 22 THR HG21 . 19716 1 229 . 1 1 22 22 THR HG22 H 1 1.2365 0.0000 . 1 . . . A 22 THR HG22 . 19716 1 230 . 1 1 22 22 THR HG23 H 1 1.2365 0.0000 . 1 . . . A 22 THR HG23 . 19716 1 231 . 1 1 22 22 THR CA C 13 34.4430 0.0000 . 1 . 2360 . A 22 THR CA . 19716 1 232 . 1 1 22 22 THR CB C 13 41.9199 0.0000 . 1 . 2357 . A 22 THR CB . 19716 1 233 . 1 1 22 22 THR CG2 C 13 49.7785 0.0000 . 1 . . . A 22 THR CG2 . 19716 1 234 . 1 1 22 22 THR N N 15 112.3965 0.0000 . 1 . 2596 . A 22 THR N . 19716 1 235 . 1 1 23 23 LEU H H 1 8.1699 0.0000 . 1 . 2644 . A 23 LEU H . 19716 1 236 . 1 1 23 23 LEU HA H 1 4.4252 0.0000 . 1 . . . A 23 LEU HA . 19716 1 237 . 1 1 23 23 LEU HB2 H 1 1.6543 0.0000 . 2 . . . A 23 LEU HB2 . 19716 1 238 . 1 1 23 23 LEU HG H 1 1.6551 0.0000 . 1 . . . A 23 LEU HG . 19716 1 239 . 1 1 23 23 LEU HD11 H 1 0.8576 0.0000 . 2 . . . A 23 LEU HD11 . 19716 1 240 . 1 1 23 23 LEU HD12 H 1 0.8576 0.0000 . 2 . . . A 23 LEU HD12 . 19716 1 241 . 1 1 23 23 LEU HD13 H 1 0.8576 0.0000 . 2 . . . A 23 LEU HD13 . 19716 1 242 . 1 1 23 23 LEU HD21 H 1 0.8561 0.0000 . 2 . . . A 23 LEU HD21 . 19716 1 243 . 1 1 23 23 LEU HD22 H 1 0.8561 0.0000 . 2 . . . A 23 LEU HD22 . 19716 1 244 . 1 1 23 23 LEU HD23 H 1 0.8561 0.0000 . 2 . . . A 23 LEU HD23 . 19716 1 245 . 1 1 23 23 LEU CA C 13 27.0941 0.0000 . 1 . 2192 . A 23 LEU CA . 19716 1 246 . 1 1 23 23 LEU CB C 13 42.5382 0.0000 . 1 . 2198 . A 23 LEU CB . 19716 1 247 . 1 1 23 23 LEU CG C 13 27.0551 0.0000 . 1 . . . A 23 LEU CG . 19716 1 248 . 1 1 23 23 LEU CD1 C 13 25.0616 0.0000 . 2 . . . A 23 LEU CD1 . 19716 1 249 . 1 1 23 23 LEU CD2 C 13 51.1998 0.0000 . 2 . . . A 23 LEU CD2 . 19716 1 250 . 1 1 23 23 LEU N N 15 123.0899 0.0000 . 1 . 2645 . A 23 LEU N . 19716 1 251 . 1 1 24 24 GLY H H 1 8.0586 0.0000 . 1 . 2686 . A 24 GLY H . 19716 1 252 . 1 1 24 24 GLY HA2 H 1 4.0522 0.0000 . 2 . . . A 24 GLY HA2 . 19716 1 253 . 1 1 24 24 GLY CA C 13 44.6383 0.0000 . 1 . 2390 . A 24 GLY CA . 19716 1 254 . 1 1 24 24 GLY N N 15 108.9635 0.0000 . 1 . 2687 . A 24 GLY N . 19716 1 stop_ save_