data_15076 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15076 _Entry.Title ; Dynein Light Chain LC8 at pH 5.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-14 _Entry.Accession_date 2006-12-14 _Entry.Last_release_date 2007-10-17 _Entry.Original_release_date 2007-10-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Gregory Benison . C. . 15076 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15076 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 87 15076 '15N chemical shifts' 87 15076 '1H chemical shifts' 87 15076 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 . . 2007-10-17 2006-12-14 original author . 15076 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15077 'B-DNA Dodecamer' 15076 BMRB 15078 'LC8 / IC complex' 15076 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15076 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17570393 _Citation.Full_citation . _Citation.Title 'Structure and dynamics of LC8 complexes with KXTQT-motif peptides: swallow and dynein intermediate chain compete for a common site' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 371 _Citation.Journal_issue 2 _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 457 _Citation.Page_last 468 _Citation.Year 2007 _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 Gregory Benison . C. . 15076 1 2 P. Karplus . Andrew . 15076 1 3 Elisar Barbar . J. . 15076 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15076 _Assembly.ID 1 _Assembly.Name 'LC8 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 'LC8, chain 1' 1 $LC8 A . yes native no no . . . 15076 1 2 'LC8, chain 2' 1 $LC8 A . yes native no no . . . 15076 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LC8 _Entity.Sf_category entity _Entity.Sf_framecode LC8 _Entity.Entry_ID 15076 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LC8 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDRKAVIKNADMSEEMQQD AVDCATQALEKYNIEKDIAA YIKKEFDKKYNPTWHCIVGR NFGSYVTHETRHFIYFYLGQ VAILLFKSG ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 15077 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 2 no BMRB 15078 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 3 no BMRB 15953 . H55K_mutant_of_LC8 . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15076 1 4 no BMRB 16847 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 5 no BMRB 17692 . DLC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 6 no PDB 1RHW . "The Solution Structure Of The Ph-Induced Monomer Of Dynein Light Chain Lc8 From Drosophila" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 7 no PDB 2P2T . "Crystal Structure Of Dynein Light Chain Lc8 Bound To Residues 123-138 Of Intermediate Chain Ic74" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 8 no PDB 2PG1 . "Structural Analysis Of A Cytoplasmic Dynein Light Chain- Intermediate Chain Complex" . . . . . 100.00 91 100.00 100.00 2.14e-59 . . . . 15076 1 9 no PDB 3BRI . "Crystal Structure Of Apo-Lc8" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 10 no PDB 3BRL . "Crystal Structure Of Lc8 S88e SWA" . . . . . 100.00 89 98.88 98.88 1.11e-58 . . . . 15076 1 11 no PDB 3DVH . "Lc8 Point Mutant K36p" . . . . . 100.00 91 98.88 98.88 1.27e-58 . . . . 15076 1 12 no PDB 3DVP . "Pak1 Peptide Bound Lc8" . . . . . 100.00 91 98.88 98.88 1.27e-58 . . . . 15076 1 13 no PDB 3DVT . "Biochemical And Structural Characterization Of The Pak1- Lc8 Interaction" . . . . . 100.00 91 100.00 100.00 2.14e-59 . . . . 15076 1 14 no PDB 3E2B . "Crystal Structure Of Dynein Light Chain Lc8 In Complex With A Peptide Derived From Swallow" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 15 no PDB 3FM7 . "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 16 no PDB 3GLW . "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 17 no PDB 4QH7 . "Lc8 - Ana2 (159-168) Complex" . . . . . 100.00 94 100.00 100.00 2.39e-59 . . . . 15076 1 18 no PDB 4QH8 . "Lc8 - Ana2 (237-246) Complex" . . . . . 100.00 94 100.00 100.00 2.39e-59 . . . . 15076 1 19 no EMBL CDQ62741 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 132 97.75 100.00 1.72e-57 . . . . 15076 1 20 no EMBL CDQ75050 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 89 97.75 100.00 2.92e-58 . . . . 15076 1 21 no GB AAB04148 . "cytoplasmic dynein light chain 1 [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 22 no GB AAD00072 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 23 no GB AAD00073 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 98.88 100.00 6.55e-59 . . . . 15076 1 24 no GB AAD00074 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 25 no GB AAF45975 . "cut up, isoform A [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 26 no REF NP_001135068 . "Dynein light chain 1, cytoplasmic [Salmo salar]" . . . . . 100.00 89 97.75 100.00 2.92e-58 . . . . 15076 1 27 no REF NP_001177683 . "dynein light chain A [Nasonia vitripennis]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 28 no REF NP_001188181 . "dynein light chain 1 cytoplasmic [Ictalurus punctatus]" . . . . . 100.00 89 97.75 100.00 2.92e-58 . . . . 15076 1 29 no REF NP_001245530 . "cut up, isoform E [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 30 no REF NP_001245836 . "cytoplasmic dynein light chain 2, isoform C [Drosophila melanogaster]" . . . . . 100.00 89 98.88 100.00 6.55e-59 . . . . 15076 1 31 no SP O96860 . "RecName: Full=Dynein light chain 2, cytoplasmic; AltName: Full=8 kDa dynein light chain" . . . . . 100.00 89 98.88 100.00 6.55e-59 . . . . 15076 1 32 no SP Q24117 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; AltName: Full=Cut up protein" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 15076 1 33 no TPG DAA34424 . "TPA_exp: dynein light chain [Amblyomma variegatum]" . . . . . 95.51 85 97.65 98.82 2.71e-54 . . . . 15076 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15076 1 2 . SER . 15076 1 3 . ASP . 15076 1 4 . ARG . 15076 1 5 . LYS . 15076 1 6 . ALA . 15076 1 7 . VAL . 15076 1 8 . ILE . 15076 1 9 . LYS . 15076 1 10 . ASN . 15076 1 11 . ALA . 15076 1 12 . ASP . 15076 1 13 . MET . 15076 1 14 . SER . 15076 1 15 . GLU . 15076 1 16 . GLU . 15076 1 17 . MET . 15076 1 18 . GLN . 15076 1 19 . GLN . 15076 1 20 . ASP . 15076 1 21 . ALA . 15076 1 22 . VAL . 15076 1 23 . ASP . 15076 1 24 . CYS . 15076 1 25 . ALA . 15076 1 26 . THR . 15076 1 27 . GLN . 15076 1 28 . ALA . 15076 1 29 . LEU . 15076 1 30 . GLU . 15076 1 31 . LYS . 15076 1 32 . TYR . 15076 1 33 . ASN . 15076 1 34 . ILE . 15076 1 35 . GLU . 15076 1 36 . LYS . 15076 1 37 . ASP . 15076 1 38 . ILE . 15076 1 39 . ALA . 15076 1 40 . ALA . 15076 1 41 . TYR . 15076 1 42 . ILE . 15076 1 43 . LYS . 15076 1 44 . LYS . 15076 1 45 . GLU . 15076 1 46 . PHE . 15076 1 47 . ASP . 15076 1 48 . LYS . 15076 1 49 . LYS . 15076 1 50 . TYR . 15076 1 51 . ASN . 15076 1 52 . PRO . 15076 1 53 . THR . 15076 1 54 . TRP . 15076 1 55 . HIS . 15076 1 56 . CYS . 15076 1 57 . ILE . 15076 1 58 . VAL . 15076 1 59 . GLY . 15076 1 60 . ARG . 15076 1 61 . ASN . 15076 1 62 . PHE . 15076 1 63 . GLY . 15076 1 64 . SER . 15076 1 65 . TYR . 15076 1 66 . VAL . 15076 1 67 . THR . 15076 1 68 . HIS . 15076 1 69 . GLU . 15076 1 70 . THR . 15076 1 71 . ARG . 15076 1 72 . HIS . 15076 1 73 . PHE . 15076 1 74 . ILE . 15076 1 75 . TYR . 15076 1 76 . PHE . 15076 1 77 . TYR . 15076 1 78 . LEU . 15076 1 79 . GLY . 15076 1 80 . GLN . 15076 1 81 . VAL . 15076 1 82 . ALA . 15076 1 83 . ILE . 15076 1 84 . LEU . 15076 1 85 . LEU . 15076 1 86 . PHE . 15076 1 87 . LYS . 15076 1 88 . SER . 15076 1 89 . GLY . 15076 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 15076 1 . SER 2 2 15076 1 . ASP 3 3 15076 1 . ARG 4 4 15076 1 . LYS 5 5 15076 1 . ALA 6 6 15076 1 . VAL 7 7 15076 1 . ILE 8 8 15076 1 . LYS 9 9 15076 1 . ASN 10 10 15076 1 . ALA 11 11 15076 1 . ASP 12 12 15076 1 . MET 13 13 15076 1 . SER 14 14 15076 1 . GLU 15 15 15076 1 . GLU 16 16 15076 1 . MET 17 17 15076 1 . GLN 18 18 15076 1 . GLN 19 19 15076 1 . ASP 20 20 15076 1 . ALA 21 21 15076 1 . VAL 22 22 15076 1 . ASP 23 23 15076 1 . CYS 24 24 15076 1 . ALA 25 25 15076 1 . THR 26 26 15076 1 . GLN 27 27 15076 1 . ALA 28 28 15076 1 . LEU 29 29 15076 1 . GLU 30 30 15076 1 . LYS 31 31 15076 1 . TYR 32 32 15076 1 . ASN 33 33 15076 1 . ILE 34 34 15076 1 . GLU 35 35 15076 1 . LYS 36 36 15076 1 . ASP 37 37 15076 1 . ILE 38 38 15076 1 . ALA 39 39 15076 1 . ALA 40 40 15076 1 . TYR 41 41 15076 1 . ILE 42 42 15076 1 . LYS 43 43 15076 1 . LYS 44 44 15076 1 . GLU 45 45 15076 1 . PHE 46 46 15076 1 . ASP 47 47 15076 1 . LYS 48 48 15076 1 . LYS 49 49 15076 1 . TYR 50 50 15076 1 . ASN 51 51 15076 1 . PRO 52 52 15076 1 . THR 53 53 15076 1 . TRP 54 54 15076 1 . HIS 55 55 15076 1 . CYS 56 56 15076 1 . ILE 57 57 15076 1 . VAL 58 58 15076 1 . GLY 59 59 15076 1 . ARG 60 60 15076 1 . ASN 61 61 15076 1 . PHE 62 62 15076 1 . GLY 63 63 15076 1 . SER 64 64 15076 1 . TYR 65 65 15076 1 . VAL 66 66 15076 1 . THR 67 67 15076 1 . HIS 68 68 15076 1 . GLU 69 69 15076 1 . THR 70 70 15076 1 . ARG 71 71 15076 1 . HIS 72 72 15076 1 . PHE 73 73 15076 1 . ILE 74 74 15076 1 . TYR 75 75 15076 1 . PHE 76 76 15076 1 . TYR 77 77 15076 1 . LEU 78 78 15076 1 . GLY 79 79 15076 1 . GLN 80 80 15076 1 . VAL 81 81 15076 1 . ALA 82 82 15076 1 . ILE 83 83 15076 1 . LEU 84 84 15076 1 . LEU 85 85 15076 1 . PHE 86 86 15076 1 . LYS 87 87 15076 1 . SER 88 88 15076 1 . GLY 89 89 15076 1 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 15076 _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 $LC8 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 15076 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 15076 _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 $LC8 . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . PET-15da . . . . . . 15076 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15076 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 LC8 '[U-100% 13C; U-100% 15N]' . . 1 $LC8 . . 1 . . mM . . . . 15076 1 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 15076 1 3 'sodium citrate' . . . . . . . 50 . . mM . . . . 15076 1 4 glycerol . . . . . . . 3 . . % . . . . 15076 1 5 DSS . . . . . . . 1 . . mM . . . . 15076 1 6 'sodium chloride' . . . . . . . 100 . . mM . . . . 15076 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 15076 _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' 0.3 . M 15076 1 pH 5.5 . pH 15076 1 pressure 1 . atm 15076 1 temperature 298 . K 15076 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15076 _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' . . 15076 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15076 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 15076 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15076 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15076 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 15076 _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 . . . . . . . . . . . . . . . . 15076 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15076 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15076 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 15076 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 15076 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 15076 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 15076 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 15076 _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 HNCA' . . . 15076 1 2 '2D 1H-15N HSQC' . . . 15076 1 3 '3D 1H-15N NOESY' . . . 15076 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 9.26 0.02 . 1 1 . . . 2 SER H . 15076 1 2 . 1 1 2 2 SER CA C 13 58.41 0.05 . 1 1 . . . 2 SER CA . 15076 1 3 . 1 1 2 2 SER N N 15 123.15 0.05 . 1 1 . . . 2 SER N . 15076 1 4 . 1 1 3 3 ASP H H 1 8.49 0.02 . 1 1 . . . 3 ASP H . 15076 1 5 . 1 1 3 3 ASP CA C 13 54.33 0.05 . 1 1 . . . 3 ASP CA . 15076 1 6 . 1 1 3 3 ASP N N 15 122.93 0.05 . 1 1 . . . 3 ASP N . 15076 1 7 . 1 1 4 4 ARG H H 1 8.28 0.02 . 1 1 . . . 4 ARG H . 15076 1 8 . 1 1 4 4 ARG CA C 13 55.62 0.05 . 1 1 . . . 4 ARG CA . 15076 1 9 . 1 1 4 4 ARG N N 15 121.02 0.05 . 1 1 . . . 4 ARG N . 15076 1 10 . 1 1 5 5 LYS H H 1 8.24 0.02 . 1 1 . . . 5 LYS H . 15076 1 11 . 1 1 5 5 LYS CA C 13 56.05 0.05 . 1 1 . . . 5 LYS CA . 15076 1 12 . 1 1 5 5 LYS N N 15 122.04 0.05 . 1 1 . . . 5 LYS N . 15076 1 13 . 1 1 6 6 ALA H H 1 8.52 0.02 . 1 1 . . . 6 ALA H . 15076 1 14 . 1 1 6 6 ALA CA C 13 51.65 0.05 . 1 1 . . . 6 ALA CA . 15076 1 15 . 1 1 6 6 ALA N N 15 126.42 0.05 . 1 1 . . . 6 ALA N . 15076 1 16 . 1 1 7 7 VAL H H 1 8.93 0.02 . 1 1 . . . 7 VAL H . 15076 1 17 . 1 1 7 7 VAL CA C 13 61.91 0.05 . 1 1 . . . 7 VAL CA . 15076 1 18 . 1 1 7 7 VAL N N 15 123.26 0.05 . 1 1 . . . 7 VAL N . 15076 1 19 . 1 1 8 8 ILE H H 1 9.17 0.02 . 1 1 . . . 8 ILE H . 15076 1 20 . 1 1 8 8 ILE CA C 13 61.66 0.05 . 1 1 . . . 8 ILE CA . 15076 1 21 . 1 1 8 8 ILE N N 15 128.96 0.05 . 1 1 . . . 8 ILE N . 15076 1 22 . 1 1 9 9 LYS H H 1 8.39 0.02 . 1 1 . . . 9 LYS H . 15076 1 23 . 1 1 9 9 LYS CA C 13 56.31 0.05 . 1 1 . . . 9 LYS CA . 15076 1 24 . 1 1 9 9 LYS N N 15 129.12 0.05 . 1 1 . . . 9 LYS N . 15076 1 25 . 1 1 10 10 ASN H H 1 8.17 0.02 . 1 1 . . . 10 ASN H . 15076 1 26 . 1 1 10 10 ASN CA C 13 53.63 0.05 . 1 1 . . . 10 ASN CA . 15076 1 27 . 1 1 10 10 ASN N N 15 114.96 0.05 . 1 1 . . . 10 ASN N . 15076 1 28 . 1 1 11 11 ALA H H 1 8.82 0.02 . 1 1 . . . 11 ALA H . 15076 1 29 . 1 1 11 11 ALA CA C 13 51.99 0.05 . 1 1 . . . 11 ALA CA . 15076 1 30 . 1 1 11 11 ALA N N 15 124.76 0.05 . 1 1 . . . 11 ALA N . 15076 1 31 . 1 1 12 12 ASP H H 1 8.84 0.02 . 1 1 . . . 12 ASP H . 15076 1 32 . 1 1 12 12 ASP CA C 13 53.02 0.05 . 1 1 . . . 12 ASP CA . 15076 1 33 . 1 1 12 12 ASP N N 15 122.48 0.05 . 1 1 . . . 12 ASP N . 15076 1 34 . 1 1 13 13 MET H H 1 7.96 0.02 . 1 1 . . . 13 MET H . 15076 1 35 . 1 1 13 13 MET CA C 13 55.79 0.05 . 1 1 . . . 13 MET CA . 15076 1 36 . 1 1 13 13 MET N N 15 120.18 0.05 . 1 1 . . . 13 MET N . 15076 1 37 . 1 1 14 14 SER H H 1 9.31 0.02 . 1 1 . . . 14 SER H . 15076 1 38 . 1 1 14 14 SER CA C 13 58.39 0.05 . 1 1 . . . 14 SER CA . 15076 1 39 . 1 1 14 14 SER N N 15 123.06 0.05 . 1 1 . . . 14 SER N . 15076 1 40 . 1 1 15 15 GLU H H 1 9.29 0.02 . 1 1 . . . 15 GLU H . 15076 1 41 . 1 1 15 15 GLU CA C 13 60.77 0.05 . 1 1 . . . 15 GLU CA . 15076 1 42 . 1 1 15 15 GLU N N 15 123.40 0.05 . 1 1 . . . 15 GLU N . 15076 1 43 . 1 1 16 16 GLU H H 1 9.14 0.02 . 1 1 . . . 16 GLU H . 15076 1 44 . 1 1 16 16 GLU CA C 13 60.10 0.05 . 1 1 . . . 16 GLU CA . 15076 1 45 . 1 1 16 16 GLU N N 15 118.98 0.05 . 1 1 . . . 16 GLU N . 15076 1 46 . 1 1 17 17 MET H H 1 7.57 0.02 . 1 1 . . . 17 MET H . 15076 1 47 . 1 1 17 17 MET CA C 13 59.59 0.05 . 1 1 . . . 17 MET CA . 15076 1 48 . 1 1 17 17 MET N N 15 121.07 0.05 . 1 1 . . . 17 MET N . 15076 1 49 . 1 1 18 18 GLN H H 1 8.41 0.02 . 1 1 . . . 18 GLN H . 15076 1 50 . 1 1 18 18 GLN CA C 13 59.59 0.05 . 1 1 . . . 18 GLN CA . 15076 1 51 . 1 1 18 18 GLN N N 15 119.10 0.05 . 1 1 . . . 18 GLN N . 15076 1 52 . 1 1 19 19 GLN H H 1 7.75 0.02 . 1 1 . . . 19 GLN H . 15076 1 53 . 1 1 19 19 GLN CA C 13 58.33 0.05 . 1 1 . . . 19 GLN CA . 15076 1 54 . 1 1 19 19 GLN N N 15 116.76 0.05 . 1 1 . . . 19 GLN N . 15076 1 55 . 1 1 20 20 ASP H H 1 7.66 0.02 . 1 1 . . . 20 ASP H . 15076 1 56 . 1 1 20 20 ASP CA C 13 57.10 0.05 . 1 1 . . . 20 ASP CA . 15076 1 57 . 1 1 20 20 ASP N N 15 119.19 0.05 . 1 1 . . . 20 ASP N . 15076 1 58 . 1 1 21 21 ALA H H 1 8.63 0.02 . 1 1 . . . 21 ALA H . 15076 1 59 . 1 1 21 21 ALA CA C 13 56.09 0.05 . 1 1 . . . 21 ALA CA . 15076 1 60 . 1 1 21 21 ALA N N 15 124.11 0.05 . 1 1 . . . 21 ALA N . 15076 1 61 . 1 1 22 22 VAL H H 1 7.71 0.02 . 1 1 . . . 22 VAL H . 15076 1 62 . 1 1 22 22 VAL CA C 13 66.94 0.05 . 1 1 . . . 22 VAL CA . 15076 1 63 . 1 1 22 22 VAL N N 15 117.95 0.05 . 1 1 . . . 22 VAL N . 15076 1 64 . 1 1 23 23 ASP H H 1 8.81 0.02 . 1 1 . . . 23 ASP H . 15076 1 65 . 1 1 23 23 ASP CA C 13 58.33 0.05 . 1 1 . . . 23 ASP CA . 15076 1 66 . 1 1 23 23 ASP N N 15 123.99 0.05 . 1 1 . . . 23 ASP N . 15076 1 67 . 1 1 24 24 CYS H H 1 9.01 0.02 . 1 1 . . . 24 CYS H . 15076 1 68 . 1 1 24 24 CYS CA C 13 63.39 0.05 . 1 1 . . . 24 CYS CA . 15076 1 69 . 1 1 24 24 CYS N N 15 120.67 0.05 . 1 1 . . . 24 CYS N . 15076 1 70 . 1 1 25 25 ALA H H 1 8.55 0.02 . 1 1 . . . 25 ALA H . 15076 1 71 . 1 1 25 25 ALA CA C 13 55.24 0.05 . 1 1 . . . 25 ALA CA . 15076 1 72 . 1 1 25 25 ALA N N 15 120.63 0.05 . 1 1 . . . 25 ALA N . 15076 1 73 . 1 1 26 26 THR H H 1 8.44 0.02 . 1 1 . . . 26 THR H . 15076 1 74 . 1 1 26 26 THR CA C 13 67.87 0.05 . 1 1 . . . 26 THR CA . 15076 1 75 . 1 1 26 26 THR N N 15 115.18 0.05 . 1 1 . . . 26 THR N . 15076 1 76 . 1 1 27 27 GLN H H 1 7.82 0.02 . 1 1 . . . 27 GLN H . 15076 1 77 . 1 1 27 27 GLN CA C 13 58.79 0.05 . 1 1 . . . 27 GLN CA . 15076 1 78 . 1 1 27 27 GLN N N 15 120.19 0.05 . 1 1 . . . 27 GLN N . 15076 1 79 . 1 1 28 28 ALA H H 1 8.44 0.02 . 1 1 . . . 28 ALA H . 15076 1 80 . 1 1 28 28 ALA CA C 13 55.20 0.05 . 1 1 . . . 28 ALA CA . 15076 1 81 . 1 1 28 28 ALA N N 15 122.39 0.05 . 1 1 . . . 28 ALA N . 15076 1 82 . 1 1 29 29 LEU H H 1 8.12 0.02 . 1 1 . . . 29 LEU H . 15076 1 83 . 1 1 29 29 LEU CA C 13 57.26 0.05 . 1 1 . . . 29 LEU CA . 15076 1 84 . 1 1 29 29 LEU N N 15 116.10 0.05 . 1 1 . . . 29 LEU N . 15076 1 85 . 1 1 30 30 GLU H H 1 7.33 0.02 . 1 1 . . . 30 GLU H . 15076 1 86 . 1 1 30 30 GLU CA C 13 57.48 0.05 . 1 1 . . . 30 GLU CA . 15076 1 87 . 1 1 30 30 GLU N N 15 116.35 0.05 . 1 1 . . . 30 GLU N . 15076 1 88 . 1 1 31 31 LYS H H 1 7.26 0.02 . 1 1 . . . 31 LYS H . 15076 1 89 . 1 1 31 31 LYS CA C 13 57.90 0.05 . 1 1 . . . 31 LYS CA . 15076 1 90 . 1 1 31 31 LYS N N 15 117.70 0.05 . 1 1 . . . 31 LYS N . 15076 1 91 . 1 1 32 32 TYR H H 1 8.15 0.02 . 1 1 . . . 32 TYR H . 15076 1 92 . 1 1 32 32 TYR CA C 13 57.14 0.05 . 1 1 . . . 32 TYR CA . 15076 1 93 . 1 1 32 32 TYR N N 15 117.00 0.05 . 1 1 . . . 32 TYR N . 15076 1 94 . 1 1 33 33 ASN H H 1 8.38 0.02 . 1 1 . . . 33 ASN H . 15076 1 95 . 1 1 33 33 ASN CA C 13 52.88 0.05 . 1 1 . . . 33 ASN CA . 15076 1 96 . 1 1 33 33 ASN N N 15 114.03 0.05 . 1 1 . . . 33 ASN N . 15076 1 97 . 1 1 34 34 ILE H H 1 7.88 0.02 . 1 1 . . . 34 ILE H . 15076 1 98 . 1 1 34 34 ILE CA C 13 60.44 0.05 . 1 1 . . . 34 ILE CA . 15076 1 99 . 1 1 34 34 ILE N N 15 121.71 0.05 . 1 1 . . . 34 ILE N . 15076 1 100 . 1 1 35 35 GLU H H 1 10.12 0.02 . 1 1 . . . 35 GLU H . 15076 1 101 . 1 1 35 35 GLU CA C 13 62.67 0.05 . 1 1 . . . 35 GLU CA . 15076 1 102 . 1 1 35 35 GLU N N 15 129.55 0.05 . 1 1 . . . 35 GLU N . 15076 1 103 . 1 1 36 36 LYS H H 1 8.79 0.02 . 1 1 . . . 36 LYS H . 15076 1 104 . 1 1 36 36 LYS CA C 13 59.89 0.05 . 1 1 . . . 36 LYS CA . 15076 1 105 . 1 1 36 36 LYS N N 15 116.87 0.05 . 1 1 . . . 36 LYS N . 15076 1 106 . 1 1 37 37 ASP H H 1 6.89 0.02 . 1 1 . . . 37 ASP H . 15076 1 107 . 1 1 37 37 ASP CA C 13 56.59 0.05 . 1 1 . . . 37 ASP CA . 15076 1 108 . 1 1 37 37 ASP N N 15 120.14 0.05 . 1 1 . . . 37 ASP N . 15076 1 109 . 1 1 38 38 ILE H H 1 7.62 0.02 . 1 1 . . . 38 ILE H . 15076 1 110 . 1 1 38 38 ILE CA C 13 65.63 0.05 . 1 1 . . . 38 ILE CA . 15076 1 111 . 1 1 38 38 ILE N N 15 122.83 0.05 . 1 1 . . . 38 ILE N . 15076 1 112 . 1 1 39 39 ALA H H 1 8.13 0.02 . 1 1 . . . 39 ALA H . 15076 1 113 . 1 1 39 39 ALA CA C 13 54.61 0.05 . 1 1 . . . 39 ALA CA . 15076 1 114 . 1 1 39 39 ALA N N 15 119.28 0.05 . 1 1 . . . 39 ALA N . 15076 1 115 . 1 1 40 40 ALA H H 1 7.84 0.02 . 1 1 . . . 40 ALA H . 15076 1 116 . 1 1 40 40 ALA CA C 13 54.99 0.05 . 1 1 . . . 40 ALA CA . 15076 1 117 . 1 1 40 40 ALA N N 15 119.00 0.05 . 1 1 . . . 40 ALA N . 15076 1 118 . 1 1 41 41 TYR H H 1 7.38 0.02 . 1 1 . . . 41 TYR H . 15076 1 119 . 1 1 41 41 TYR CA C 13 61.91 0.05 . 1 1 . . . 41 TYR CA . 15076 1 120 . 1 1 41 41 TYR N N 15 117.47 0.05 . 1 1 . . . 41 TYR N . 15076 1 121 . 1 1 42 42 ILE H H 1 7.59 0.02 . 1 1 . . . 42 ILE H . 15076 1 122 . 1 1 42 42 ILE CA C 13 65.17 0.05 . 1 1 . . . 42 ILE CA . 15076 1 123 . 1 1 42 42 ILE N N 15 117.57 0.05 . 1 1 . . . 42 ILE N . 15076 1 124 . 1 1 43 43 LYS H H 1 8.18 0.02 . 1 1 . . . 43 LYS H . 15076 1 125 . 1 1 43 43 LYS CA C 13 61.11 0.05 . 1 1 . . . 43 LYS CA . 15076 1 126 . 1 1 43 43 LYS N N 15 118.55 0.05 . 1 1 . . . 43 LYS N . 15076 1 127 . 1 1 44 44 LYS H H 1 8.36 0.02 . 1 1 . . . 44 LYS H . 15076 1 128 . 1 1 44 44 LYS CA C 13 60.06 0.05 . 1 1 . . . 44 LYS CA . 15076 1 129 . 1 1 44 44 LYS N N 15 117.23 0.05 . 1 1 . . . 44 LYS N . 15076 1 130 . 1 1 45 45 GLU H H 1 7.88 0.02 . 1 1 . . . 45 GLU H . 15076 1 131 . 1 1 45 45 GLU CA C 13 58.79 0.05 . 1 1 . . . 45 GLU CA . 15076 1 132 . 1 1 45 45 GLU N N 15 120.10 0.05 . 1 1 . . . 45 GLU N . 15076 1 133 . 1 1 46 46 PHE H H 1 8.42 0.02 . 1 1 . . . 46 PHE H . 15076 1 134 . 1 1 46 46 PHE CA C 13 63.73 0.05 . 1 1 . . . 46 PHE CA . 15076 1 135 . 1 1 46 46 PHE N N 15 123.16 0.05 . 1 1 . . . 46 PHE N . 15076 1 136 . 1 1 47 47 ASP H H 1 8.54 0.02 . 1 1 . . . 47 ASP H . 15076 1 137 . 1 1 47 47 ASP CA C 13 57.31 0.05 . 1 1 . . . 47 ASP CA . 15076 1 138 . 1 1 47 47 ASP N N 15 120.09 0.05 . 1 1 . . . 47 ASP N . 15076 1 139 . 1 1 48 48 LYS H H 1 7.25 0.02 . 1 1 . . . 48 LYS H . 15076 1 140 . 1 1 48 48 LYS CA C 13 59.09 0.05 . 1 1 . . . 48 LYS CA . 15076 1 141 . 1 1 48 48 LYS N N 15 117.67 0.05 . 1 1 . . . 48 LYS N . 15076 1 142 . 1 1 49 49 LYS H H 1 7.93 0.02 . 1 1 . . . 49 LYS H . 15076 1 143 . 1 1 49 49 LYS CA C 13 58.87 0.05 . 1 1 . . . 49 LYS CA . 15076 1 144 . 1 1 49 49 LYS N N 15 117.57 0.05 . 1 1 . . . 49 LYS N . 15076 1 145 . 1 1 50 50 TYR H H 1 8.39 0.02 . 1 1 . . . 50 TYR H . 15076 1 146 . 1 1 50 50 TYR CA C 13 58.20 0.05 . 1 1 . . . 50 TYR CA . 15076 1 147 . 1 1 50 50 TYR N N 15 115.08 0.05 . 1 1 . . . 50 TYR N . 15076 1 148 . 1 1 51 51 ASN H H 1 6.97 0.02 . 1 1 . . . 51 ASN H . 15076 1 149 . 1 1 51 51 ASN CA C 13 55.33 0.05 . 1 1 . . . 51 ASN CA . 15076 1 150 . 1 1 51 51 ASN N N 15 113.25 0.05 . 1 1 . . . 51 ASN N . 15076 1 151 . 1 1 52 52 PRO CA C 13 60.61 0.05 . 1 1 . . . 52 PRO CA . 15076 1 152 . 1 1 53 53 THR H H 1 8.01 0.02 . 1 1 . . . 53 THR H . 15076 1 153 . 1 1 53 53 THR CA C 13 64.95 0.05 . 1 1 . . . 53 THR CA . 15076 1 154 . 1 1 53 53 THR N N 15 121.45 0.05 . 1 1 . . . 53 THR N . 15076 1 155 . 1 1 54 54 TRP H H 1 9.53 0.02 . 1 1 . . . 54 TRP H . 15076 1 156 . 1 1 54 54 TRP CA C 13 55.85 0.05 . 1 1 . . . 54 TRP CA . 15076 1 157 . 1 1 54 54 TRP N N 15 128.10 0.05 . 1 1 . . . 54 TRP N . 15076 1 158 . 1 1 55 55 HIS H H 1 8.51 0.02 . 1 1 . . . 55 HIS H . 15076 1 159 . 1 1 55 55 HIS CA C 13 55.03 0.05 . 1 1 . . . 55 HIS CA . 15076 1 160 . 1 1 55 55 HIS N N 15 118.68 0.05 . 1 1 . . . 55 HIS N . 15076 1 161 . 1 1 56 56 CYS H H 1 8.25 0.02 . 1 1 . . . 56 CYS H . 15076 1 162 . 1 1 56 56 CYS CA C 13 56.60 0.05 . 1 1 . . . 56 CYS CA . 15076 1 163 . 1 1 56 56 CYS N N 15 120.70 0.05 . 1 1 . . . 56 CYS N . 15076 1 164 . 1 1 57 57 ILE H H 1 9.31 0.02 . 1 1 . . . 57 ILE H . 15076 1 165 . 1 1 57 57 ILE CA C 13 59.89 0.05 . 1 1 . . . 57 ILE CA . 15076 1 166 . 1 1 57 57 ILE N N 15 132.38 0.05 . 1 1 . . . 57 ILE N . 15076 1 167 . 1 1 58 58 VAL H H 1 8.31 0.02 . 1 1 . . . 58 VAL H . 15076 1 168 . 1 1 58 58 VAL CA C 13 59.59 0.05 . 1 1 . . . 58 VAL CA . 15076 1 169 . 1 1 58 58 VAL N N 15 124.59 0.05 . 1 1 . . . 58 VAL N . 15076 1 170 . 1 1 59 59 GLY H H 1 9.63 0.02 . 1 1 . . . 59 GLY H . 15076 1 171 . 1 1 59 59 GLY CA C 13 46.55 0.05 . 1 1 . . . 59 GLY CA . 15076 1 172 . 1 1 59 59 GLY N N 15 112.40 0.05 . 1 1 . . . 59 GLY N . 15076 1 173 . 1 1 60 60 ARG H H 1 8.74 0.02 . 1 1 . . . 60 ARG H . 15076 1 174 . 1 1 60 60 ARG CA C 13 57.14 0.05 . 1 1 . . . 60 ARG CA . 15076 1 175 . 1 1 60 60 ARG N N 15 118.69 0.05 . 1 1 . . . 60 ARG N . 15076 1 176 . 1 1 61 61 ASN H H 1 8.98 0.02 . 1 1 . . . 61 ASN H . 15076 1 177 . 1 1 61 61 ASN CA C 13 54.99 0.05 . 1 1 . . . 61 ASN CA . 15076 1 178 . 1 1 61 61 ASN N N 15 116.87 0.05 . 1 1 . . . 61 ASN N . 15076 1 179 . 1 1 62 62 PHE H H 1 8.02 0.02 . 1 1 . . . 62 PHE H . 15076 1 180 . 1 1 62 62 PHE CA C 13 57.61 0.05 . 1 1 . . . 62 PHE CA . 15076 1 181 . 1 1 62 62 PHE N N 15 119.54 0.05 . 1 1 . . . 62 PHE N . 15076 1 182 . 1 1 63 63 GLY H H 1 9.53 0.02 . 1 1 . . . 63 GLY H . 15076 1 183 . 1 1 63 63 GLY CA C 13 43.51 0.05 . 1 1 . . . 63 GLY CA . 15076 1 184 . 1 1 63 63 GLY N N 15 108.05 0.05 . 1 1 . . . 63 GLY N . 15076 1 185 . 1 1 64 64 SER H H 1 8.27 0.02 . 1 1 . . . 64 SER H . 15076 1 186 . 1 1 64 64 SER CA C 13 57.31 0.05 . 1 1 . . . 64 SER CA . 15076 1 187 . 1 1 64 64 SER N N 15 112.09 0.05 . 1 1 . . . 64 SER N . 15076 1 188 . 1 1 65 65 TYR H H 1 9.01 0.02 . 1 1 . . . 65 TYR H . 15076 1 189 . 1 1 65 65 TYR CA C 13 54.97 0.05 . 1 1 . . . 65 TYR CA . 15076 1 190 . 1 1 65 65 TYR N N 15 116.70 0.05 . 1 1 . . . 65 TYR N . 15076 1 191 . 1 1 66 66 VAL H H 1 8.01 0.02 . 1 1 . . . 66 VAL H . 15076 1 192 . 1 1 66 66 VAL CA C 13 58.00 0.05 . 1 1 . . . 66 VAL CA . 15076 1 193 . 1 1 66 66 VAL N N 15 119.58 0.05 . 1 1 . . . 66 VAL N . 15076 1 194 . 1 1 67 67 THR H H 1 9.01 0.02 . 1 1 . . . 67 THR H . 15076 1 195 . 1 1 67 67 THR CA C 13 63.52 0.05 . 1 1 . . . 67 THR CA . 15076 1 196 . 1 1 67 67 THR N N 15 120.61 0.05 . 1 1 . . . 67 THR N . 15076 1 197 . 1 1 68 68 HIS H H 1 8.53 0.02 . 1 1 . . . 68 HIS H . 15076 1 198 . 1 1 68 68 HIS CA C 13 55.20 0.05 . 1 1 . . . 68 HIS CA . 15076 1 199 . 1 1 68 68 HIS N N 15 120.61 0.05 . 1 1 . . . 68 HIS N . 15076 1 200 . 1 1 69 69 GLU H H 1 8.22 0.02 . 1 1 . . . 69 GLU H . 15076 1 201 . 1 1 69 69 GLU CA C 13 56.09 0.05 . 1 1 . . . 69 GLU CA . 15076 1 202 . 1 1 69 69 GLU N N 15 122.39 0.05 . 1 1 . . . 69 GLU N . 15076 1 203 . 1 1 70 70 THR H H 1 8.99 0.02 . 1 1 . . . 70 THR H . 15076 1 204 . 1 1 70 70 THR CA C 13 64.62 0.05 . 1 1 . . . 70 THR CA . 15076 1 205 . 1 1 70 70 THR N N 15 126.26 0.05 . 1 1 . . . 70 THR N . 15076 1 206 . 1 1 71 71 ARG H H 1 9.23 0.02 . 1 1 . . . 71 ARG H . 15076 1 207 . 1 1 71 71 ARG CA C 13 58.72 0.05 . 1 1 . . . 71 ARG CA . 15076 1 208 . 1 1 71 71 ARG N N 15 122.90 0.05 . 1 1 . . . 71 ARG N . 15076 1 209 . 1 1 72 72 HIS H H 1 8.41 0.02 . 1 1 . . . 72 HIS H . 15076 1 210 . 1 1 72 72 HIS CA C 13 55.29 0.05 . 1 1 . . . 72 HIS CA . 15076 1 211 . 1 1 72 72 HIS N N 15 122.34 0.05 . 1 1 . . . 72 HIS N . 15076 1 212 . 1 1 73 73 PHE H H 1 8.14 0.02 . 1 1 . . . 73 PHE H . 15076 1 213 . 1 1 73 73 PHE CA C 13 58.33 0.05 . 1 1 . . . 73 PHE CA . 15076 1 214 . 1 1 73 73 PHE N N 15 121.45 0.05 . 1 1 . . . 73 PHE N . 15076 1 215 . 1 1 74 74 ILE H H 1 8.74 0.02 . 1 1 . . . 74 ILE H . 15076 1 216 . 1 1 74 74 ILE CA C 13 62.00 0.05 . 1 1 . . . 74 ILE CA . 15076 1 217 . 1 1 74 74 ILE N N 15 128.89 0.05 . 1 1 . . . 74 ILE N . 15076 1 218 . 1 1 75 75 TYR H H 1 8.34 0.02 . 1 1 . . . 75 TYR H . 15076 1 219 . 1 1 75 75 TYR CA C 13 54.61 0.05 . 1 1 . . . 75 TYR CA . 15076 1 220 . 1 1 75 75 TYR N N 15 127.12 0.05 . 1 1 . . . 75 TYR N . 15076 1 221 . 1 1 76 76 PHE H H 1 9.31 0.02 . 1 1 . . . 76 PHE H . 15076 1 222 . 1 1 76 76 PHE CA C 13 54.82 0.05 . 1 1 . . . 76 PHE CA . 15076 1 223 . 1 1 76 76 PHE N N 15 124.96 0.05 . 1 1 . . . 76 PHE N . 15076 1 224 . 1 1 77 77 TYR H H 1 9.20 0.02 . 1 1 . . . 77 TYR H . 15076 1 225 . 1 1 77 77 TYR CA C 13 55.88 0.05 . 1 1 . . . 77 TYR CA . 15076 1 226 . 1 1 77 77 TYR N N 15 118.32 0.05 . 1 1 . . . 77 TYR N . 15076 1 227 . 1 1 78 78 LEU H H 1 8.79 0.02 . 1 1 . . . 78 LEU H . 15076 1 228 . 1 1 78 78 LEU CA C 13 53.93 0.05 . 1 1 . . . 78 LEU CA . 15076 1 229 . 1 1 78 78 LEU N N 15 122.27 0.05 . 1 1 . . . 78 LEU N . 15076 1 230 . 1 1 79 79 GLY H H 1 8.94 0.02 . 1 1 . . . 79 GLY H . 15076 1 231 . 1 1 79 79 GLY CA C 13 46.76 0.05 . 1 1 . . . 79 GLY CA . 15076 1 232 . 1 1 79 79 GLY N N 15 114.55 0.05 . 1 1 . . . 79 GLY N . 15076 1 233 . 1 1 80 80 GLN H H 1 9.00 0.02 . 1 1 . . . 80 GLN H . 15076 1 234 . 1 1 80 80 GLN CA C 13 56.13 0.05 . 1 1 . . . 80 GLN CA . 15076 1 235 . 1 1 80 80 GLN N N 15 124.60 0.05 . 1 1 . . . 80 GLN N . 15076 1 236 . 1 1 81 81 VAL H H 1 7.71 0.02 . 1 1 . . . 81 VAL H . 15076 1 237 . 1 1 81 81 VAL CA C 13 62.59 0.05 . 1 1 . . . 81 VAL CA . 15076 1 238 . 1 1 81 81 VAL N N 15 118.44 0.05 . 1 1 . . . 81 VAL N . 15076 1 239 . 1 1 82 82 ALA H H 1 8.38 0.02 . 1 1 . . . 82 ALA H . 15076 1 240 . 1 1 82 82 ALA CA C 13 50.43 0.05 . 1 1 . . . 82 ALA CA . 15076 1 241 . 1 1 82 82 ALA N N 15 128.70 0.05 . 1 1 . . . 82 ALA N . 15076 1 242 . 1 1 83 83 ILE H H 1 8.86 0.02 . 1 1 . . . 83 ILE H . 15076 1 243 . 1 1 83 83 ILE CA C 13 60.65 0.05 . 1 1 . . . 83 ILE CA . 15076 1 244 . 1 1 83 83 ILE N N 15 120.13 0.05 . 1 1 . . . 83 ILE N . 15076 1 245 . 1 1 84 84 LEU H H 1 9.29 0.02 . 1 1 . . . 84 LEU H . 15076 1 246 . 1 1 84 84 LEU CA C 13 53.26 0.05 . 1 1 . . . 84 LEU CA . 15076 1 247 . 1 1 84 84 LEU N N 15 128.16 0.05 . 1 1 . . . 84 LEU N . 15076 1 248 . 1 1 85 85 LEU H H 1 8.83 0.02 . 1 1 . . . 85 LEU H . 15076 1 249 . 1 1 85 85 LEU CA C 13 53.98 0.05 . 1 1 . . . 85 LEU CA . 15076 1 250 . 1 1 85 85 LEU N N 15 130.13 0.05 . 1 1 . . . 85 LEU N . 15076 1 251 . 1 1 86 86 PHE H H 1 8.83 0.02 . 1 1 . . . 86 PHE H . 15076 1 252 . 1 1 86 86 PHE CA C 13 56.38 0.05 . 1 1 . . . 86 PHE CA . 15076 1 253 . 1 1 86 86 PHE N N 15 120.97 0.05 . 1 1 . . . 86 PHE N . 15076 1 254 . 1 1 87 87 LYS H H 1 7.65 0.02 . 1 1 . . . 87 LYS H . 15076 1 255 . 1 1 87 87 LYS CA C 13 54.40 0.05 . 1 1 . . . 87 LYS CA . 15076 1 256 . 1 1 87 87 LYS N N 15 119.51 0.05 . 1 1 . . . 87 LYS N . 15076 1 257 . 1 1 88 88 SER H H 1 8.52 0.02 . 1 1 . . . 88 SER H . 15076 1 258 . 1 1 88 88 SER CA C 13 55.33 0.05 . 1 1 . . . 88 SER CA . 15076 1 259 . 1 1 88 88 SER N N 15 118.59 0.05 . 1 1 . . . 88 SER N . 15076 1 260 . 1 1 89 89 GLY H H 1 8.52 0.02 . 1 1 . . . 89 GLY H . 15076 1 261 . 1 1 89 89 GLY N N 15 123.78 0.05 . 1 1 . . . 89 GLY N . 15076 1 stop_ save_