data_27878 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27878 _Entry.Title ; K1-K9 fragments of beta2-microglobulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-16 _Entry.Accession_date 2019-04-16 _Entry.Last_release_date 2019-04-16 _Entry.Original_release_date 2019-04-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Hiroya Muta . . . . 27878 2 Masatomo So . . . . 27878 3 Kazumasa Sakurai . . . . 27878 4 Yuji Goto . . . . 27878 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27878 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 60 27878 '15N chemical shifts' 50 27878 '1H chemical shifts' 50 27878 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 2 . . 2019-12-23 2019-04-16 update BMRB 'update entry citation' 27878 1 . . 2019-11-22 2019-04-16 original author 'original release' 27878 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27878 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31724398 _Citation.Full_citation . _Citation.Title ; Amyloid formation under complicated conditions in which beta2-microglobulin coexists with its proteolytic fragments ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 58 _Citation.Journal_issue 49 _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 4925 _Citation.Page_last 4934 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hiroya Muta . . . . 27878 1 2 Masatomo So . . . . 27878 1 3 Kazumasa Sakurai . . . . 27878 1 4 Jozsef Kardos . . . . 27878 1 5 Hironobu Naiki . . . . 27878 1 6 Yuji Goto . . . . 27878 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Amyloid 27878 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27878 _Assembly.ID 1 _Assembly.Name 'K1-K9 fragments' _Assembly.BMRB_code . _Assembly.Number_of_components 7 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'proteolytic fragments of beta2-microglobulin' _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 K1 1 $K1 A . yes unfolded no no . . . 27878 1 2 K2 2 $K2 A . yes unfolded no no . . . 27878 1 3 K4 3 $K4 A . yes unfolded no no . . . 27878 1 4 K5 4 $K5 A . yes unfolded no no . . . 27878 1 5 K7 5 $K7 A . yes unfolded no no . . . 27878 1 6 K8 6 $K8 A . yes unfolded no no . . . 27878 1 7 K9 7 $K9 A . yes unfolded no no . . . 27878 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_K1 _Entity.Sf_category entity _Entity.Sf_framecode K1 _Entity.Entry_ID 27878 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name K1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIQRTPK ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 0 MET . 27878 1 2 1 ILE . 27878 1 3 2 GLN . 27878 1 4 3 ARG . 27878 1 5 4 THR . 27878 1 6 5 PRO . 27878 1 7 6 LYS . 27878 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27878 1 . ILE 2 2 27878 1 . GLN 3 3 27878 1 . ARG 4 4 27878 1 . THR 5 5 27878 1 . PRO 6 6 27878 1 . LYS 7 7 27878 1 stop_ save_ save_K2 _Entity.Sf_category entity _Entity.Sf_framecode K2 _Entity.Entry_ID 27878 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name K2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IQVYSRHPAENGK ; _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 7 ILE . 27878 2 2 8 GLN . 27878 2 3 9 VAL . 27878 2 4 10 TYR . 27878 2 5 11 SER . 27878 2 6 12 ARG . 27878 2 7 13 HIS . 27878 2 8 14 PRO . 27878 2 9 15 ALA . 27878 2 10 16 GLU . 27878 2 11 17 ASN . 27878 2 12 18 GLY . 27878 2 13 19 LYS . 27878 2 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 . ILE 1 1 27878 2 . GLN 2 2 27878 2 . VAL 3 3 27878 2 . TYR 4 4 27878 2 . SER 5 5 27878 2 . ARG 6 6 27878 2 . HIS 7 7 27878 2 . PRO 8 8 27878 2 . ALA 9 9 27878 2 . GLU 10 10 27878 2 . ASN 11 11 27878 2 . GLY 12 12 27878 2 . LYS 13 13 27878 2 stop_ save_ save_K4 _Entity.Sf_category entity _Entity.Sf_framecode K4 _Entity.Entry_ID 27878 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name K4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NGERIEK ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 42 ASN . 27878 3 2 43 GLY . 27878 3 3 44 GLU . 27878 3 4 45 ARG . 27878 3 5 46 ILE . 27878 3 6 47 GLU . 27878 3 7 48 LYS . 27878 3 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 . ASN 1 1 27878 3 . GLY 2 2 27878 3 . GLU 3 3 27878 3 . ARG 4 4 27878 3 . ILE 5 5 27878 3 . GLU 6 6 27878 3 . LYS 7 7 27878 3 stop_ save_ save_K5 _Entity.Sf_category entity _Entity.Sf_framecode K5 _Entity.Entry_ID 27878 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name K5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VEHSDLSFSK ; _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 49 VAL . 27878 4 2 50 GLU . 27878 4 3 51 HIS . 27878 4 4 52 SER . 27878 4 5 53 ASP . 27878 4 6 54 LEU . 27878 4 7 55 SER . 27878 4 8 56 PHE . 27878 4 9 57 SER . 27878 4 10 58 LYS . 27878 4 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 . VAL 1 1 27878 4 . GLU 2 2 27878 4 . HIS 3 3 27878 4 . SER 4 4 27878 4 . ASP 5 5 27878 4 . LEU 6 6 27878 4 . SER 7 7 27878 4 . PHE 8 8 27878 4 . SER 9 9 27878 4 . LYS 10 10 27878 4 stop_ save_ save_K7 _Entity.Sf_category entity _Entity.Sf_framecode K7 _Entity.Entry_ID 27878 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name K7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DEYACRVNHVTLSQPK ; _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 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 76 ASP . 27878 5 2 77 GLU . 27878 5 3 78 TYR . 27878 5 4 79 ALA . 27878 5 5 80 CYS . 27878 5 6 81 ARG . 27878 5 7 82 VAL . 27878 5 8 83 ASN . 27878 5 9 84 HIS . 27878 5 10 85 VAL . 27878 5 11 86 THR . 27878 5 12 87 LEU . 27878 5 13 88 SER . 27878 5 14 89 GLN . 27878 5 15 90 PRO . 27878 5 16 91 LYS . 27878 5 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 . ASP 1 1 27878 5 . GLU 2 2 27878 5 . TYR 3 3 27878 5 . ALA 4 4 27878 5 . CYS 5 5 27878 5 . ARG 6 6 27878 5 . VAL 7 7 27878 5 . ASN 8 8 27878 5 . HIS 9 9 27878 5 . VAL 10 10 27878 5 . THR 11 11 27878 5 . LEU 12 12 27878 5 . SER 13 13 27878 5 . GLN 14 14 27878 5 . PRO 15 15 27878 5 . LYS 16 16 27878 5 stop_ save_ save_K8 _Entity.Sf_category entity _Entity.Sf_framecode K8 _Entity.Entry_ID 27878 _Entity.ID 6 _Entity.BMRB_code . _Entity.Name K8 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IVK ; _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 3 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 92 ILE . 27878 6 2 93 VAL . 27878 6 3 94 LYS . 27878 6 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 . ILE 1 1 27878 6 . VAL 2 2 27878 6 . LYS 3 3 27878 6 stop_ save_ save_K9 _Entity.Sf_category entity _Entity.Sf_framecode K9 _Entity.Entry_ID 27878 _Entity.ID 7 _Entity.BMRB_code . _Entity.Name K9 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; WDRDM ; _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 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 95 TRP . 27878 7 2 96 ASP . 27878 7 3 97 ARG . 27878 7 4 98 ASP . 27878 7 5 99 MET . 27878 7 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 . TRP 1 1 27878 7 . ASP 2 2 27878 7 . ARG 3 3 27878 7 . ASP 4 4 27878 7 . MET 5 5 27878 7 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 27878 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $K1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27878 1 2 2 $K2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27878 1 3 3 $K4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27878 1 4 4 $K5 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27878 1 5 5 $K7 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27878 1 6 6 $K8 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27878 1 7 7 $K9 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27878 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 27878 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $K1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pColdB2M . . . 27878 1 2 2 $K2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pColdB2M . . . 27878 1 3 3 $K4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pColdB2M . . . 27878 1 4 4 $K5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pColdB2M . . . 27878 1 5 5 $K7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pColdB2M . . . 27878 1 6 6 $K8 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pColdB2M . . . 27878 1 7 7 $K9 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pColdB2M . . . 27878 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27878 _Sample.ID 1 _Sample.Name . _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 'K1 peptides' '[U-99% 13C; U-99% 15N]' . . 1 $K1 . . 50 . . uM . . . . 27878 1 2 'K2 peptides' '[U-99% 13C; U-99% 15N]' . . 2 $K2 . . 50 . . uM . . . . 27878 1 3 'K4 peptides' '[U-99% 13C; U-99% 15N]' . . 3 $K4 . . 50 . . uM . . . . 27878 1 4 'K5 peptides' '[U-99% 13C; U-99% 15N]' . . 4 $K5 . . 50 . . uM . . . . 27878 1 5 'K7 peptides' '[U-99% 13C; U-99% 15N]' . . 5 $K7 . . 50 . . uM . . . . 27878 1 6 'K8 peptides' '[U-99% 13C; U-99% 15N]' . . 6 $K8 . . 50 . . uM . . . . 27878 1 7 'K9 peptides' '[U-99% 13C; U-99% 15N]' . . 7 $K9 . . 50 . . uM . . . . 27878 1 8 HCl 'natural abundance' . . . . . . 10 . . mM . . . . 27878 1 9 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27878 1 10 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 27878 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 27878 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.1 . M 27878 1 pH 1.5 . pH 27878 1 pressure 1 . atm 27878 1 temperature 310 . K 27878 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27878 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27878 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27878 1 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 27878 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27878 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 950 . . . 27878 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 27878 _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 HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27878 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27878 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27878 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 27878 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27878 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 27878 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 HNCA' . . . 27878 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.Ambiguity_set_ID _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 MET CA C 13 54.918 . . . . . . . . 0 M CA . 27878 1 2 . 1 1 2 2 ILE H H 1 8.516 . . . . . . . . 1 I H . 27878 1 3 . 1 1 2 2 ILE CA C 13 61.166 . . . . . . . . 1 I CA . 27878 1 4 . 1 1 2 2 ILE N N 15 124.368 . . . . . . . . 1 I N . 27878 1 5 . 1 1 3 3 GLN H H 1 8.504 . . . . . . . . 2 Q H . 27878 1 6 . 1 1 3 3 GLN CA C 13 55.461 . . . . . . . . 2 Q CA . 27878 1 7 . 1 1 3 3 GLN N N 15 125.674 . . . . . . . . 2 Q N . 27878 1 8 . 1 1 4 4 ARG H H 1 8.453 . . . . . . . . 3 R H . 27878 1 9 . 1 1 4 4 ARG CA C 13 55.9 . . . . . . . . 3 R CA . 27878 1 10 . 1 1 4 4 ARG N N 15 123.854 . . . . . . . . 3 R N . 27878 1 11 . 1 1 5 5 THR H H 1 8.215 . . . . . . . . 4 T H . 27878 1 12 . 1 1 5 5 THR CA C 13 59.808 . . . . . . . . 4 T CA . 27878 1 13 . 1 1 5 5 THR N N 15 118.502 . . . . . . . . 4 T N . 27878 1 14 . 1 1 6 6 PRO CA C 13 63.081 . . . . . . . . 5 P CA . 27878 1 15 . 1 1 7 7 LYS H H 1 8.399 . . . . . . . . 6 K H . 27878 1 16 . 1 1 7 7 LYS CA C 13 55.374 . . . . . . . . 6 K CA . 27878 1 17 . 1 1 7 7 LYS N N 15 122.193 . . . . . . . . 6 K N . 27878 1 18 . 2 2 1 1 ILE CA C 13 60.391 . . . . . . . . 7 I CA . 27878 1 19 . 2 2 2 2 GLN H H 1 8.547 . . . . . . . . 8 Q H . 27878 1 20 . 2 2 2 2 GLN CA C 13 55.454 . . . . . . . . 8 Q CA . 27878 1 21 . 2 2 2 2 GLN N N 15 124.832 . . . . . . . . 8 Q N . 27878 1 22 . 2 2 3 3 VAL H H 1 8.223 . . . . . . . . 9 V H . 27878 1 23 . 2 2 3 3 VAL CA C 13 62.094 . . . . . . . . 9 V CA . 27878 1 24 . 2 2 3 3 VAL N N 15 122.935 . . . . . . . . 9 V N . 27878 1 25 . 2 2 4 4 TYR H H 1 8.32 . . . . . . . . 10 Y H . 27878 1 26 . 2 2 4 4 TYR CA C 13 57.691 . . . . . . . . 10 Y CA . 27878 1 27 . 2 2 4 4 TYR N N 15 124.721 . . . . . . . . 10 Y N . 27878 1 28 . 2 2 5 5 SER H H 1 8.108 . . . . . . . . 11 S H . 27878 1 29 . 2 2 5 5 SER CA C 13 57.744 . . . . . . . . 11 S CA . 27878 1 30 . 2 2 5 5 SER N N 15 118.022 . . . . . . . . 11 S N . 27878 1 31 . 2 2 6 6 ARG H H 1 8.207 . . . . . . . . 12 R H . 27878 1 32 . 2 2 6 6 ARG CA C 13 55.977 . . . . . . . . 12 R CA . 27878 1 33 . 2 2 6 6 ARG N N 15 122.8 . . . . . . . . 12 R N . 27878 1 34 . 2 2 7 7 HIS H H 1 8.391 . . . . . . . . 13 H H . 27878 1 35 . 2 2 7 7 HIS CA C 13 53.128 . . . . . . . . 13 H CA . 27878 1 36 . 2 2 7 7 HIS N N 15 119.886 . . . . . . . . 13 H N . 27878 1 37 . 2 2 8 8 PRO CA C 13 63.165 . . . . . . . . 14 P CA . 27878 1 38 . 2 2 9 9 ALA H H 1 8.42 . . . . . . . . 15 A H . 27878 1 39 . 2 2 9 9 ALA CA C 13 52.449 . . . . . . . . 15 A CA . 27878 1 40 . 2 2 9 9 ALA N N 15 124.521 . . . . . . . . 15 A N . 27878 1 41 . 2 2 10 10 GLU H H 1 8.309 . . . . . . . . 16 E H . 27878 1 42 . 2 2 10 10 GLU CA C 13 55.526 . . . . . . . . 16 E CA . 27878 1 43 . 2 2 10 10 GLU N N 15 119.635 . . . . . . . . 16 E N . 27878 1 44 . 2 2 11 11 ASN H H 1 8.419 . . . . . . . . 17 N H . 27878 1 45 . 2 2 11 11 ASN CA C 13 53.302 . . . . . . . . 17 N CA . 27878 1 46 . 2 2 11 11 ASN N N 15 119.605 . . . . . . . . 17 N N . 27878 1 47 . 2 2 12 12 GLY H H 1 8.304 . . . . . . . . 18 G H . 27878 1 48 . 2 2 12 12 GLY CA C 13 45.236 . . . . . . . . 18 G CA . 27878 1 49 . 2 2 12 12 GLY N N 15 109.032 . . . . . . . . 18 G N . 27878 1 50 . 2 2 13 13 LYS H H 1 8.06 . . . . . . . . 19 K H . 27878 1 51 . 2 2 13 13 LYS CA C 13 55.098 . . . . . . . . 19 K CA . 27878 1 52 . 2 2 13 13 LYS N N 15 120.969 . . . . . . . . 19 K N . 27878 1 53 . 3 3 1 1 ASN CA C 13 52.668 . . . . . . . . 42 N CA . 27878 1 54 . 3 3 2 2 GLY H H 1 8.63 . . . . . . . . 43 G H . 27878 1 55 . 3 3 2 2 GLY CA C 13 45.161 . . . . . . . . 43 G CA . 27878 1 56 . 3 3 2 2 GLY N N 15 109.597 . . . . . . . . 43 G N . 27878 1 57 . 3 3 3 3 GLU H H 1 8.238 . . . . . . . . 44 E H . 27878 1 58 . 3 3 3 3 GLU CA C 13 55.675 . . . . . . . . 44 E CA . 27878 1 59 . 3 3 3 3 GLU N N 15 120.052 . . . . . . . . 44 E N . 27878 1 60 . 3 3 4 4 ARG H H 1 8.363 . . . . . . . . 45 R H . 27878 1 61 . 3 3 4 4 ARG CA C 13 56.069 . . . . . . . . 45 R CA . 27878 1 62 . 3 3 4 4 ARG N N 15 122.884 . . . . . . . . 45 R N . 27878 1 63 . 3 3 5 5 ILE H H 1 8.19 . . . . . . . . 46 I H . 27878 1 64 . 3 3 5 5 ILE CA C 13 60.874 . . . . . . . . 46 I CA . 27878 1 65 . 3 3 5 5 ILE N N 15 123.254 . . . . . . . . 46 I N . 27878 1 66 . 3 3 6 6 GLU H H 1 8.382 . . . . . . . . 47 E H . 27878 1 67 . 3 3 6 6 GLU CA C 13 55.319 . . . . . . . . 47 E CA . 27878 1 68 . 3 3 6 6 GLU N N 15 125.321 . . . . . . . . 47 E N . 27878 1 69 . 3 3 7 7 LYS H H 1 8.42 . . . . . . . . 48 K H . 27878 1 70 . 3 3 7 7 LYS CA C 13 55.355 . . . . . . . . 48 K CA . 27878 1 71 . 3 3 7 7 LYS N N 15 123.981 . . . . . . . . 48 K N . 27878 1 72 . 4 4 1 1 VAL CA C 13 61.082 . . . . . . . . 49 V CA . 27878 1 73 . 4 4 2 2 GLU H H 1 8.623 . . . . . . . . 50 E H . 27878 1 74 . 4 4 2 2 GLU CA C 13 55.662 . . . . . . . . 50 E CA . 27878 1 75 . 4 4 2 2 GLU N N 15 124.447 . . . . . . . . 50 E N . 27878 1 76 . 4 4 3 3 HIS H H 1 8.674 . . . . . . . . 51 H H . 27878 1 77 . 4 4 3 3 HIS CA C 13 55.207 . . . . . . . . 51 H CA . 27878 1 78 . 4 4 3 3 HIS N N 15 120.695 . . . . . . . . 51 H N . 27878 1 79 . 4 4 4 4 SER H H 1 8.373 . . . . . . . . 52 S H . 27878 1 80 . 4 4 4 4 SER CA C 13 58.132 . . . . . . . . 52 S CA . 27878 1 81 . 4 4 4 4 SER N N 15 117.244 . . . . . . . . 52 S N . 27878 1 82 . 4 4 5 5 ASP H H 1 8.57 . . . . . . . . 53 D H . 27878 1 83 . 4 4 5 5 ASP CA C 13 52.862 . . . . . . . . 53 D CA . 27878 1 84 . 4 4 5 5 ASP N N 15 121.284 . . . . . . . . 53 D N . 27878 1 85 . 4 4 6 6 LEU H H 1 8.11 . . . . . . . . 54 L H . 27878 1 86 . 4 4 6 6 LEU CA C 13 55.244 . . . . . . . . 54 L CA . 27878 1 87 . 4 4 6 6 LEU N N 15 122.453 . . . . . . . . 54 L N . 27878 1 88 . 4 4 7 7 SER H H 1 8.04 . . . . . . . . 55 S H . 27878 1 89 . 4 4 7 7 SER CA C 13 58.156 . . . . . . . . 55 S CA . 27878 1 90 . 4 4 7 7 SER N N 15 115.92 . . . . . . . . 55 S N . 27878 1 91 . 4 4 8 8 PHE H H 1 8.075 . . . . . . . . 56 F H . 27878 1 92 . 4 4 8 8 PHE CA C 13 57.575 . . . . . . . . 56 F CA . 27878 1 93 . 4 4 8 8 PHE N N 15 121.939 . . . . . . . . 56 F N . 27878 1 94 . 4 4 9 9 SER H H 1 8.093 . . . . . . . . 57 S H . 27878 1 95 . 4 4 9 9 SER CA C 13 58.138 . . . . . . . . 57 S CA . 27878 1 96 . 4 4 9 9 SER N N 15 117.385 . . . . . . . . 57 S N . 27878 1 97 . 4 4 10 10 LYS H H 1 8.221 . . . . . . . . 58 K H . 27878 1 98 . 4 4 10 10 LYS CA C 13 55.298 . . . . . . . . 58 K CA . 27878 1 99 . 4 4 10 10 LYS N N 15 123.429 . . . . . . . . 58 K N . 27878 1 100 . 5 5 1 1 ASP CA C 13 52.236 . . . . . . . . 76 D CA . 27878 1 101 . 5 5 2 2 GLU H H 1 8.659 . . . . . . . . 77 E H . 27878 1 102 . 5 5 2 2 GLU CA C 13 56.071 . . . . . . . . 77 E CA . 27878 1 103 . 5 5 2 2 GLU N N 15 121.274 . . . . . . . . 77 E N . 27878 1 104 . 5 5 3 3 TYR H H 1 8.132 . . . . . . . . 78 Y H . 27878 1 105 . 5 5 3 3 TYR CA C 13 57.721 . . . . . . . . 78 Y CA . 27878 1 106 . 5 5 3 3 TYR N N 15 121.257 . . . . . . . . 78 Y N . 27878 1 107 . 5 5 4 4 ALA H H 1 8.079 . . . . . . . . 79 A H . 27878 1 108 . 5 5 4 4 ALA CA C 13 52.402 . . . . . . . . 79 A CA . 27878 1 109 . 5 5 4 4 ALA N N 15 125.394 . . . . . . . . 79 A N . 27878 1 110 . 5 5 5 5 CYS H H 1 8.14 . . . . . . . . 80 C H . 27878 1 111 . 5 5 5 5 CYS CA C 13 58.406 . . . . . . . . 80 C CA . 27878 1 112 . 5 5 5 5 CYS N N 15 118.426 . . . . . . . . 80 C N . 27878 1 113 . 5 5 6 6 ARG H H 1 8.329 . . . . . . . . 81 R H . 27878 1 114 . 5 5 6 6 ARG CA C 13 56.17 . . . . . . . . 81 R CA . 27878 1 115 . 5 5 6 6 ARG N N 15 123.825 . . . . . . . . 81 R N . 27878 1 116 . 5 5 7 7 VAL H H 1 8.039 . . . . . . . . 82 V H . 27878 1 117 . 5 5 7 7 VAL CA C 13 62.124 . . . . . . . . 82 V CA . 27878 1 118 . 5 5 7 7 VAL N N 15 121.218 . . . . . . . . 82 V N . 27878 1 119 . 5 5 8 8 ASN H H 1 8.408 . . . . . . . . 83 N H . 27878 1 120 . 5 5 8 8 ASN CA C 13 52.968 . . . . . . . . 83 N CA . 27878 1 121 . 5 5 8 8 ASN N N 15 122.732 . . . . . . . . 83 N N . 27878 1 122 . 5 5 9 9 HIS H H 1 8.414 . . . . . . . . 84 H H . 27878 1 123 . 5 5 9 9 HIS CA C 13 55.257 . . . . . . . . 84 H CA . 27878 1 124 . 5 5 9 9 HIS N N 15 119.556 . . . . . . . . 84 H N . 27878 1 125 . 5 5 10 10 VAL H H 1 8.17 . . . . . . . . 85 V H . 27878 1 126 . 5 5 10 10 VAL CA C 13 62.396 . . . . . . . . 85 V CA . 27878 1 127 . 5 5 10 10 VAL N N 15 122.111 . . . . . . . . 85 V N . 27878 1 128 . 5 5 11 11 THR H H 1 8.286 . . . . . . . . 86 T H . 27878 1 129 . 5 5 11 11 THR CA C 13 61.849 . . . . . . . . 86 T CA . 27878 1 130 . 5 5 11 11 THR N N 15 119.683 . . . . . . . . 86 T N . 27878 1 131 . 5 5 12 12 LEU H H 1 8.309 . . . . . . . . 87 L H . 27878 1 132 . 5 5 12 12 LEU CA C 13 54.994 . . . . . . . . 87 L CA . 27878 1 133 . 5 5 12 12 LEU N N 15 125.852 . . . . . . . . 87 L N . 27878 1 134 . 5 5 13 13 SER H H 1 8.229 . . . . . . . . 88 S H . 27878 1 135 . 5 5 13 13 SER CA C 13 58.084 . . . . . . . . 88 S CA . 27878 1 136 . 5 5 13 13 SER N N 15 117.054 . . . . . . . . 88 S N . 27878 1 137 . 5 5 15 15 PRO CA C 13 63.081 . . . . . . . . 90 P CA . 27878 1 138 . 5 5 16 16 LYS H H 1 8.439 . . . . . . . . 91 K H . 27878 1 139 . 5 5 16 16 LYS CA C 13 55.305 . . . . . . . . 91 K CA . 27878 1 140 . 5 5 16 16 LYS N N 15 122.09 . . . . . . . . 91 K N . 27878 1 141 . 6 6 1 1 ILE CA C 13 60.248 . . . . . . . . 92 I CA . 27878 1 142 . 6 6 2 2 VAL H H 1 8.369 . . . . . . . . 93 V H . 27878 1 143 . 6 6 2 2 VAL CA C 13 62.267 . . . . . . . . 93 V CA . 27878 1 144 . 6 6 2 2 VAL N N 15 125.141 . . . . . . . . 93 V N . 27878 1 145 . 6 6 3 3 LYS H H 1 8.332 . . . . . . . . 94 K H . 27878 1 146 . 6 6 3 3 LYS CA C 13 56.278 . . . . . . . . 94 K CA . 27878 1 147 . 6 6 3 3 LYS N N 15 126.104 . . . . . . . . 94 K N . 27878 1 148 . 7 7 1 1 TRP CA C 13 56.199 . . . . . . . . 95 W CA . 27878 1 149 . 7 7 2 2 ASP H H 1 8.543 . . . . . . . . 96 D H . 27878 1 150 . 7 7 2 2 ASP CA C 13 52.611 . . . . . . . . 96 D CA . 27878 1 151 . 7 7 2 2 ASP N N 15 122.084 . . . . . . . . 96 D N . 27878 1 152 . 7 7 3 3 ARG H H 1 8.115 . . . . . . . . 97 R H . 27878 1 153 . 7 7 3 3 ARG CA C 13 56.352 . . . . . . . . 97 R CA . 27878 1 154 . 7 7 3 3 ARG N N 15 121.94 . . . . . . . . 97 R N . 27878 1 155 . 7 7 4 4 ASP H H 1 8.248 . . . . . . . . 98 D H . 27878 1 156 . 7 7 4 4 ASP CA C 13 52.894 . . . . . . . . 98 D CA . 27878 1 157 . 7 7 4 4 ASP N N 15 119.217 . . . . . . . . 98 D N . 27878 1 158 . 7 7 5 5 MET H H 1 8.153 . . . . . . . . 99 M H . 27878 1 159 . 7 7 5 5 MET CA C 13 54.431 . . . . . . . . 99 M CA . 27878 1 160 . 7 7 5 5 MET N N 15 121.082 . . . . . . . . 99 M N . 27878 1 stop_ save_