data_5665 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5665 _Entry.Title ; ClpX Zinc Binding Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-01-21 _Entry.Accession_date 2003-01-21 _Entry.Last_release_date 2004-03-15 _Entry.Original_release_date 2004-03-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Logan Donaldson . WF . 5665 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5665 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 320 5665 '13C chemical shifts' 203 5665 '15N chemical shifts' 47 5665 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 . . 2004-03-15 2003-01-21 original author . 5665 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5665 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14525985 _Citation.Full_citation . _Citation.Title ; Solution structure of the dimeric zinc binding domain of the chaperone ClpX. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _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 48991 _Citation.Page_last 48996 _Citation.Year 2003 _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 Logan Donaldson . W . 5665 1 2 Urszula Wojtyra . . . 5665 1 3 Walid Houry . A . 5665 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ClpX chaperonin' 5665 1 'zinc binding domain' 5665 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ClpX_Zinc_Finger _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ClpX_Zinc_Finger _Assembly.Entry_ID 5665 _Assembly.ID 1 _Assembly.Name 'Clpx Zinc Finger 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 no _Assembly.Thiol_state 'other bound, and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID homodimer 5665 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ClpX Zinc Finger, monomer 1' 1 $CLPX . . . native . . 1 . . 5665 1 2 'ClpX Zinc Finger, monomer 2' 1 $CLPX . . . native . . 1 . . 5665 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Clpx Zinc Finger dimer' system 5665 1 'Clpx ZBD' abbreviation 5665 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'molecular chaperone' 5665 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CLPX _Entity.Sf_category entity _Entity.Sf_framecode CLPX _Entity.Entry_ID 5665 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ClpX Zinc Finger' _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 ; TDKRKDGSGKLLYCSFCGKS QHEVRKLIAGPSVYICDECV DLCNDIIREEIKEVAPHR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'other bound, and 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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1OVX . "Nmr Structure Of The E. Coli Clpx Chaperone Zinc Binding Domain Dimer" . . . . . 100.00 67 100.00 100.00 2.90e-33 . . . . 5665 1 2 no PDB 2DS5 . "Structure Of The Zbd In The Orthorhomibic Crystal From" . . . . . 87.93 51 100.00 100.00 1.15e-27 . . . . 5665 1 3 no PDB 2DS6 . "Structure Of The Zbd In The Tetragonal Crystal Form" . . . . . 87.93 51 100.00 100.00 1.15e-27 . . . . 5665 1 4 no PDB 2DS7 . "Structure Of The Zbd In The Hexagonal Crystal Form" . . . . . 87.93 51 98.04 98.04 1.75e-26 . . . . 5665 1 5 no PDB 2DS8 . "Structure Of The Zbd-Xb Complex" . . . . . 87.93 51 100.00 100.00 1.15e-27 . . . . 5665 1 6 no DBJ BAA94669 . "ATPase subunit [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 423 100.00 100.00 1.82e-32 . . . . 5665 1 7 no DBJ BAB33915 . "ATP-dependent specificity component of clpP serine protease ClpX [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 8 no DBJ BAE73947 . "ATP-dependent Clp protease ATP-binding subunit [Sodalis glossinidius str. 'morsitans']" . . . . . 100.00 424 100.00 100.00 1.87e-32 . . . . 5665 1 9 no DBJ BAE76218 . "ATPase and specificity subunit of ClpX-ClpP ATP-dependent serine protease [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 10 no DBJ BAG75988 . "ATP-dependent Clp protease ATP-binding subunit [Escherichia coli SE11]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 11 no EMBL CAA80816 . "ATP-binding protein [Escherichia coli]" . . . . . 100.00 424 100.00 100.00 3.17e-32 . . . . 5665 1 12 no EMBL CAD08908 . "ATP-dependent clp protease ATP-binding subunit ClpX [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 423 100.00 100.00 1.51e-32 . . . . 5665 1 13 no EMBL CAG74059 . "ATP-dependent Clp protease ATP-binding subunit [Pectobacterium atrosepticum SCRI1043]" . . . . . 100.00 424 100.00 100.00 2.55e-32 . . . . 5665 1 14 no EMBL CAH20200 . "specificity component of clpA-clpP ATP-dependent serine protease, chaperone [Yersinia pseudotuberculosis IP 32953]" . . . . . 100.00 423 98.28 100.00 5.30e-32 . . . . 5665 1 15 no EMBL CAL13168 . "ATP-dependent Clp protease ATP-binding subunit ClpX [Yersinia enterocolitica subsp. enterocolitica 8081]" . . . . . 100.00 423 100.00 100.00 1.78e-32 . . . . 5665 1 16 no GB AAA16116 . "ATP-dependent protease ATPase subunit [Escherichia coli]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 17 no GB AAB40194 . "ATP-dependent Clp proteinase [Escherichia coli]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 18 no GB AAC45783 . "ClpX [Yersinia enterocolitica]" . . . . . 100.00 423 100.00 100.00 1.78e-32 . . . . 5665 1 19 no GB AAC73541 . "ATPase and specificity subunit of ClpX-ClpP ATP-dependent serine protease [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 20 no GB AAG54788 . "ATP-dependent specificity component of clpP serine protease, chaperone [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 21 no PIR AD0558 . "ATP-dependent clp protease ATP-binding chain ClpX [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 423 100.00 100.00 1.51e-32 . . . . 5665 1 22 no REF NP_286180 . "ATP-dependent protease ATP-binding subunit ClpX [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 23 no REF NP_308519 . "ATP-dependent protease ATP-binding protein ClpX [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 24 no REF NP_414972 . "ATPase and specificity subunit of ClpX-ClpP ATP-dependent serine protease [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 25 no REF NP_455046 . "ATP-dependent CLP protease ATP-binding subunit ClpX [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 423 100.00 100.00 1.51e-32 . . . . 5665 1 26 no REF NP_459445 . "ATP-dependent protease ATP-binding subunit ClpX [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 423 100.00 100.00 1.71e-32 . . . . 5665 1 27 no SP A1A8A7 . "RecName: Full=ATP-dependent Clp protease ATP-binding subunit ClpX [Escherichia coli APEC O1]" . . . . . 100.00 424 100.00 100.00 1.96e-32 . . . . 5665 1 28 no SP A1JNN1 . "RecName: Full=ATP-dependent Clp protease ATP-binding subunit ClpX [Yersinia enterocolitica subsp. enterocolitica 8081]" . . . . . 100.00 423 100.00 100.00 1.78e-32 . . . . 5665 1 29 no SP A4TPE2 . "RecName: Full=ATP-dependent Clp protease ATP-binding subunit ClpX [Yersinia pestis Pestoides F]" . . . . . 100.00 423 98.28 100.00 5.41e-32 . . . . 5665 1 30 no SP A4W7A9 . "RecName: Full=ATP-dependent Clp protease ATP-binding subunit ClpX [Enterobacter sp. 638]" . . . . . 100.00 424 100.00 100.00 2.22e-32 . . . . 5665 1 31 no SP A6T5I1 . "RecName: Full=ATP-dependent Clp protease ATP-binding subunit ClpX [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" . . . . . 100.00 424 100.00 100.00 1.89e-32 . . . . 5665 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ClpX Zinc Finger' common 5665 1 'Clpx ZBD' abbreviation 5665 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 . THR . 5665 1 2 . ASP . 5665 1 3 . LYS . 5665 1 4 . ARG . 5665 1 5 . LYS . 5665 1 6 . ASP . 5665 1 7 . GLY . 5665 1 8 . SER . 5665 1 9 . GLY . 5665 1 10 . LYS . 5665 1 11 . LEU . 5665 1 12 . LEU . 5665 1 13 . TYR . 5665 1 14 . CYS . 5665 1 15 . SER . 5665 1 16 . PHE . 5665 1 17 . CYS . 5665 1 18 . GLY . 5665 1 19 . LYS . 5665 1 20 . SER . 5665 1 21 . GLN . 5665 1 22 . HIS . 5665 1 23 . GLU . 5665 1 24 . VAL . 5665 1 25 . ARG . 5665 1 26 . LYS . 5665 1 27 . LEU . 5665 1 28 . ILE . 5665 1 29 . ALA . 5665 1 30 . GLY . 5665 1 31 . PRO . 5665 1 32 . SER . 5665 1 33 . VAL . 5665 1 34 . TYR . 5665 1 35 . ILE . 5665 1 36 . CYS . 5665 1 37 . ASP . 5665 1 38 . GLU . 5665 1 39 . CYS . 5665 1 40 . VAL . 5665 1 41 . ASP . 5665 1 42 . LEU . 5665 1 43 . CYS . 5665 1 44 . ASN . 5665 1 45 . ASP . 5665 1 46 . ILE . 5665 1 47 . ILE . 5665 1 48 . ARG . 5665 1 49 . GLU . 5665 1 50 . GLU . 5665 1 51 . ILE . 5665 1 52 . LYS . 5665 1 53 . GLU . 5665 1 54 . VAL . 5665 1 55 . ALA . 5665 1 56 . PRO . 5665 1 57 . HIS . 5665 1 58 . ARG . 5665 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 . THR 1 1 5665 1 . ASP 2 2 5665 1 . LYS 3 3 5665 1 . ARG 4 4 5665 1 . LYS 5 5 5665 1 . ASP 6 6 5665 1 . GLY 7 7 5665 1 . SER 8 8 5665 1 . GLY 9 9 5665 1 . LYS 10 10 5665 1 . LEU 11 11 5665 1 . LEU 12 12 5665 1 . TYR 13 13 5665 1 . CYS 14 14 5665 1 . SER 15 15 5665 1 . PHE 16 16 5665 1 . CYS 17 17 5665 1 . GLY 18 18 5665 1 . LYS 19 19 5665 1 . SER 20 20 5665 1 . GLN 21 21 5665 1 . HIS 22 22 5665 1 . GLU 23 23 5665 1 . VAL 24 24 5665 1 . ARG 25 25 5665 1 . LYS 26 26 5665 1 . LEU 27 27 5665 1 . ILE 28 28 5665 1 . ALA 29 29 5665 1 . GLY 30 30 5665 1 . PRO 31 31 5665 1 . SER 32 32 5665 1 . VAL 33 33 5665 1 . TYR 34 34 5665 1 . ILE 35 35 5665 1 . CYS 36 36 5665 1 . ASP 37 37 5665 1 . GLU 38 38 5665 1 . CYS 39 39 5665 1 . VAL 40 40 5665 1 . ASP 41 41 5665 1 . LEU 42 42 5665 1 . CYS 43 43 5665 1 . ASN 44 44 5665 1 . ASP 45 45 5665 1 . ILE 46 46 5665 1 . ILE 47 47 5665 1 . ARG 48 48 5665 1 . GLU 49 49 5665 1 . GLU 50 50 5665 1 . ILE 51 51 5665 1 . LYS 52 52 5665 1 . GLU 53 53 5665 1 . VAL 54 54 5665 1 . ALA 55 55 5665 1 . PRO 56 56 5665 1 . HIS 57 57 5665 1 . ARG 58 58 5665 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 5665 _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 $CLPX . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . 'ClpX Zinc Binding Domain' . . . . 5665 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 5665 _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 $CLPX . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 Gold' . . . . . . . . . . . . plasmid . . pET28b . . . . . . 5665 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5665 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ClpX Zinc Finger' '[U-15N; U-13C]' . . 1 $CLPX . . 1.5 . . mM . . . . 5665 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5665 1 3 'sodium azide' . . . . . . . 0.02 . . % . . . . 5665 1 4 'sodium chloride' . . . . . . . 150 . . mM . . . . 5665 1 stop_ save_ ####################### # Sample conditions # ####################### save_standard_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard_conditions _Sample_condition_list.Entry_ID 5665 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.05 n/a 5665 1 temperature 303 0.5 K 5665 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5665 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5665 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5665 _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 NMR_spectrometer_1 Bruker DRX . 600 . . . 5665 1 2 NMR_spectrometer_2 Varian INOVA . 500 . . . 5665 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 5665 _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 '15N HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 2 '13C HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 3 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 4 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 6 C(CC)-TOCSY-(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 7 H(CC)-TOCSY-(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 9 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 10 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 11 '13C-filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5665 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C(CC)-TOCSY-(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CC)-TOCSY-(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5665 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '13C-filtered NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5665 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5665 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5665 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5665 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_PBX_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PBX_chemical_shifts _Assigned_chem_shift_list.Entry_ID 5665 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5665 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 11 11 LEU N N 15 124.564 . . 1 . . . . . . . . 5665 1 2 . 1 1 11 11 LEU CA C 13 54.598 . . 1 . . . . . . . . 5665 1 3 . 1 1 11 11 LEU HA H 1 4.239 . . 1 . . . . . . . . 5665 1 4 . 1 1 11 11 LEU CB C 13 42.900 . . 1 . . . . . . . . 5665 1 5 . 1 1 11 11 LEU HB3 H 1 1.478 . . 2 . . . . . . . . 5665 1 6 . 1 1 11 11 LEU HB2 H 1 1.461 . . 2 . . . . . . . . 5665 1 7 . 1 1 11 11 LEU HG H 1 1.259 . . 1 . . . . . . . . 5665 1 8 . 1 1 11 11 LEU CD1 C 13 26.860 . . 1 . . . . . . . . 5665 1 9 . 1 1 11 11 LEU HD11 H 1 0.824 . . 2 . . . . . . . . 5665 1 10 . 1 1 11 11 LEU HD12 H 1 0.824 . . 2 . . . . . . . . 5665 1 11 . 1 1 11 11 LEU HD13 H 1 0.824 . . 2 . . . . . . . . 5665 1 12 . 1 1 11 11 LEU CD2 C 13 24.429 . . 1 . . . . . . . . 5665 1 13 . 1 1 11 11 LEU HD21 H 1 0.797 . . 2 . . . . . . . . 5665 1 14 . 1 1 11 11 LEU HD22 H 1 0.797 . . 2 . . . . . . . . 5665 1 15 . 1 1 11 11 LEU HD23 H 1 0.797 . . 2 . . . . . . . . 5665 1 16 . 1 1 11 11 LEU C C 13 177.095 . . 1 . . . . . . . . 5665 1 17 . 1 1 12 12 LEU N N 15 122.606 . . 1 . . . . . . . . 5665 1 18 . 1 1 12 12 LEU H H 1 7.845 . . 1 . . . . . . . . 5665 1 19 . 1 1 12 12 LEU CA C 13 53.114 . . 1 . . . . . . . . 5665 1 20 . 1 1 12 12 LEU HA H 1 4.254 . . 1 . . . . . . . . 5665 1 21 . 1 1 12 12 LEU CB C 13 43.576 . . 1 . . . . . . . . 5665 1 22 . 1 1 12 12 LEU HB3 H 1 1.230 . . 2 . . . . . . . . 5665 1 23 . 1 1 12 12 LEU HB2 H 1 1.431 . . 2 . . . . . . . . 5665 1 24 . 1 1 12 12 LEU CG C 13 26.340 . . 1 . . . . . . . . 5665 1 25 . 1 1 12 12 LEU HG H 1 1.053 . . 1 . . . . . . . . 5665 1 26 . 1 1 12 12 LEU CD1 C 13 24.663 . . 1 . . . . . . . . 5665 1 27 . 1 1 12 12 LEU HD11 H 1 0.626 . . 2 . . . . . . . . 5665 1 28 . 1 1 12 12 LEU HD12 H 1 0.626 . . 2 . . . . . . . . 5665 1 29 . 1 1 12 12 LEU HD13 H 1 0.626 . . 2 . . . . . . . . 5665 1 30 . 1 1 12 12 LEU CD2 C 13 21.950 . . 1 . . . . . . . . 5665 1 31 . 1 1 12 12 LEU HD21 H 1 0.560 . . 2 . . . . . . . . 5665 1 32 . 1 1 12 12 LEU HD22 H 1 0.560 . . 2 . . . . . . . . 5665 1 33 . 1 1 12 12 LEU HD23 H 1 0.560 . . 2 . . . . . . . . 5665 1 34 . 1 1 12 12 LEU C C 13 174.901 . . 1 . . . . . . . . 5665 1 35 . 1 1 13 13 TYR N N 15 116.340 . . 1 . . . . . . . . 5665 1 36 . 1 1 13 13 TYR H H 1 7.576 . . 1 . . . . . . . . 5665 1 37 . 1 1 13 13 TYR CA C 13 55.500 . . 1 . . . . . . . . 5665 1 38 . 1 1 13 13 TYR HA H 1 4.873 . . 1 . . . . . . . . 5665 1 39 . 1 1 13 13 TYR CB C 13 41.727 . . 1 . . . . . . . . 5665 1 40 . 1 1 13 13 TYR HB3 H 1 2.411 . . 2 . . . . . . . . 5665 1 41 . 1 1 13 13 TYR HB2 H 1 2.512 . . 2 . . . . . . . . 5665 1 42 . 1 1 13 13 TYR CD1 C 13 131.450 . . 1 . . . . . . . . 5665 1 43 . 1 1 13 13 TYR HD1 H 1 6.970 . . 1 . . . . . . . . 5665 1 44 . 1 1 13 13 TYR CD2 C 13 131.450 . . 1 . . . . . . . . 5665 1 45 . 1 1 13 13 TYR HD2 H 1 6.970 . . 1 . . . . . . . . 5665 1 46 . 1 1 13 13 TYR CE1 C 13 116.870 . . 1 . . . . . . . . 5665 1 47 . 1 1 13 13 TYR HE1 H 1 6.910 . . 1 . . . . . . . . 5665 1 48 . 1 1 13 13 TYR CE2 C 13 116.870 . . 1 . . . . . . . . 5665 1 49 . 1 1 13 13 TYR HE2 H 1 6.910 . . 1 . . . . . . . . 5665 1 50 . 1 1 13 13 TYR C C 13 177.403 . . 1 . . . . . . . . 5665 1 51 . 1 1 14 14 CYS N N 15 122.868 . . 1 . . . . . . . . 5665 1 52 . 1 1 14 14 CYS H H 1 9.166 . . 1 . . . . . . . . 5665 1 53 . 1 1 14 14 CYS CA C 13 61.103 . . 1 . . . . . . . . 5665 1 54 . 1 1 14 14 CYS HA H 1 4.025 . . 1 . . . . . . . . 5665 1 55 . 1 1 14 14 CYS CB C 13 31.357 . . 1 . . . . . . . . 5665 1 56 . 1 1 14 14 CYS HB3 H 1 2.695 . . 2 . . . . . . . . 5665 1 57 . 1 1 14 14 CYS HB2 H 1 3.483 . . 2 . . . . . . . . 5665 1 58 . 1 1 14 14 CYS C C 13 180.732 . . 1 . . . . . . . . 5665 1 59 . 1 1 15 15 SER N N 15 106.795 . . 1 . . . . . . . . 5665 1 60 . 1 1 15 15 SER H H 1 9.607 . . 1 . . . . . . . . 5665 1 61 . 1 1 15 15 SER CA C 13 61.547 . . 1 . . . . . . . . 5665 1 62 . 1 1 15 15 SER HA H 1 4.427 . . 1 . . . . . . . . 5665 1 63 . 1 1 15 15 SER CB C 13 62.986 . . 1 . . . . . . . . 5665 1 64 . 1 1 15 15 SER HB3 H 1 4.067 . . 1 . . . . . . . . 5665 1 65 . 1 1 15 15 SER HB2 H 1 4.067 . . 1 . . . . . . . . 5665 1 66 . 1 1 15 15 SER C C 13 175.273 . . 1 . . . . . . . . 5665 1 67 . 1 1 16 16 PHE N N 15 122.393 . . 1 . . . . . . . . 5665 1 68 . 1 1 16 16 PHE H H 1 9.920 . . 1 . . . . . . . . 5665 1 69 . 1 1 16 16 PHE CA C 13 61.121 . . 1 . . . . . . . . 5665 1 70 . 1 1 16 16 PHE HA H 1 4.211 . . 1 . . . . . . . . 5665 1 71 . 1 1 16 16 PHE CB C 13 41.318 . . 1 . . . . . . . . 5665 1 72 . 1 1 16 16 PHE HB3 H 1 3.107 . . 2 . . . . . . . . 5665 1 73 . 1 1 16 16 PHE HB2 H 1 3.925 . . 2 . . . . . . . . 5665 1 74 . 1 1 16 16 PHE CD1 C 13 129.770 . . 1 . . . . . . . . 5665 1 75 . 1 1 16 16 PHE CD2 C 13 129.770 . . 1 . . . . . . . . 5665 1 76 . 1 1 16 16 PHE HD1 H 1 7.400 . . 1 . . . . . . . . 5665 1 77 . 1 1 16 16 PHE HD2 H 1 7.400 . . 1 . . . . . . . . 5665 1 78 . 1 1 16 16 PHE CE1 C 13 128.790 . . 1 . . . . . . . . 5665 1 79 . 1 1 16 16 PHE CE2 C 13 128.790 . . 1 . . . . . . . . 5665 1 80 . 1 1 16 16 PHE HE1 H 1 7.080 . . 1 . . . . . . . . 5665 1 81 . 1 1 16 16 PHE HE2 H 1 7.080 . . 1 . . . . . . . . 5665 1 82 . 1 1 16 16 PHE CZ C 13 126.960 . . 1 . . . . . . . . 5665 1 83 . 1 1 16 16 PHE HZ H 1 7.000 . . 1 . . . . . . . . 5665 1 84 . 1 1 16 16 PHE C C 13 179.064 . . 1 . . . . . . . . 5665 1 85 . 1 1 17 17 CYS N N 15 118.657 . . 1 . . . . . . . . 5665 1 86 . 1 1 17 17 CYS H H 1 8.689 . . 1 . . . . . . . . 5665 1 87 . 1 1 17 17 CYS CA C 13 58.878 . . 1 . . . . . . . . 5665 1 88 . 1 1 17 17 CYS HA H 1 4.997 . . 1 . . . . . . . . 5665 1 89 . 1 1 17 17 CYS CB C 13 32.920 . . 1 . . . . . . . . 5665 1 90 . 1 1 17 17 CYS HB3 H 1 2.665 . . 2 . . . . . . . . 5665 1 91 . 1 1 17 17 CYS HB2 H 1 3.194 . . 2 . . . . . . . . 5665 1 92 . 1 1 17 17 CYS C C 13 177.197 . . 1 . . . . . . . . 5665 1 93 . 1 1 18 18 GLY N N 15 112.516 . . 1 . . . . . . . . 5665 1 94 . 1 1 18 18 GLY H H 1 7.648 . . 1 . . . . . . . . 5665 1 95 . 1 1 18 18 GLY CA C 13 46.407 . . 1 . . . . . . . . 5665 1 96 . 1 1 18 18 GLY HA3 H 1 3.965 . . 2 . . . . . . . . 5665 1 97 . 1 1 18 18 GLY HA2 H 1 4.229 . . 2 . . . . . . . . 5665 1 98 . 1 1 18 18 GLY C C 13 176.783 . . 1 . . . . . . . . 5665 1 99 . 1 1 19 19 LYS N N 15 123.321 . . 1 . . . . . . . . 5665 1 100 . 1 1 19 19 LYS H H 1 8.758 . . 1 . . . . . . . . 5665 1 101 . 1 1 19 19 LYS CA C 13 58.806 . . 1 . . . . . . . . 5665 1 102 . 1 1 19 19 LYS HA H 1 4.337 . . 1 . . . . . . . . 5665 1 103 . 1 1 19 19 LYS CB C 13 34.163 . . 1 . . . . . . . . 5665 1 104 . 1 1 19 19 LYS HB3 H 1 1.754 . . 2 . . . . . . . . 5665 1 105 . 1 1 19 19 LYS HB2 H 1 1.910 . . 2 . . . . . . . . 5665 1 106 . 1 1 19 19 LYS CG C 13 27.708 . . 1 . . . . . . . . 5665 1 107 . 1 1 19 19 LYS HG3 H 1 1.750 . . 2 . . . . . . . . 5665 1 108 . 1 1 19 19 LYS HG2 H 1 1.597 . . 2 . . . . . . . . 5665 1 109 . 1 1 19 19 LYS CD C 13 30.282 . . 1 . . . . . . . . 5665 1 110 . 1 1 19 19 LYS HD3 H 1 1.393 . . 1 . . . . . . . . 5665 1 111 . 1 1 19 19 LYS HD2 H 1 1.393 . . 1 . . . . . . . . 5665 1 112 . 1 1 19 19 LYS CE C 13 42.152 . . 1 . . . . . . . . 5665 1 113 . 1 1 19 19 LYS HE3 H 1 3.029 . . 1 . . . . . . . . 5665 1 114 . 1 1 19 19 LYS HE2 H 1 3.029 . . 1 . . . . . . . . 5665 1 115 . 1 1 19 19 LYS C C 13 178.696 . . 1 . . . . . . . . 5665 1 116 . 1 1 20 20 SER N N 15 116.658 . . 1 . . . . . . . . 5665 1 117 . 1 1 20 20 SER H H 1 9.117 . . 1 . . . . . . . . 5665 1 118 . 1 1 20 20 SER CA C 13 57.273 . . 1 . . . . . . . . 5665 1 119 . 1 1 20 20 SER HA H 1 4.504 . . 1 . . . . . . . . 5665 1 120 . 1 1 20 20 SER CB C 13 66.155 . . 1 . . . . . . . . 5665 1 121 . 1 1 20 20 SER HB3 H 1 3.683 . . 2 . . . . . . . . 5665 1 122 . 1 1 20 20 SER HB2 H 1 3.909 . . 2 . . . . . . . . 5665 1 123 . 1 1 20 20 SER C C 13 178.686 . . 1 . . . . . . . . 5665 1 124 . 1 1 21 21 GLN N N 15 117.211 . . 1 . . . . . . . . 5665 1 125 . 1 1 21 21 GLN H H 1 8.129 . . 1 . . . . . . . . 5665 1 126 . 1 1 21 21 GLN CA C 13 57.833 . . 1 . . . . . . . . 5665 1 127 . 1 1 21 21 GLN HA H 1 3.757 . . 1 . . . . . . . . 5665 1 128 . 1 1 21 21 GLN CB C 13 29.021 . . 1 . . . . . . . . 5665 1 129 . 1 1 21 21 GLN HB3 H 1 1.743 . . 2 . . . . . . . . 5665 1 130 . 1 1 21 21 GLN HB2 H 1 1.873 . . 2 . . . . . . . . 5665 1 131 . 1 1 21 21 GLN CG C 13 33.200 . . 1 . . . . . . . . 5665 1 132 . 1 1 21 21 GLN HG3 H 1 1.743 . . 2 . . . . . . . . 5665 1 133 . 1 1 21 21 GLN HG2 H 1 1.850 . . 2 . . . . . . . . 5665 1 134 . 1 1 21 21 GLN NE2 N 15 110.740 . . 1 . . . . . . . . 5665 1 135 . 1 1 21 21 GLN HE21 H 1 7.440 . . 2 . . . . . . . . 5665 1 136 . 1 1 21 21 GLN HE22 H 1 6.730 . . 2 . . . . . . . . 5665 1 137 . 1 1 21 21 GLN C C 13 177.839 . . 1 . . . . . . . . 5665 1 138 . 1 1 22 22 HIS N N 15 115.527 . . 1 . . . . . . . . 5665 1 139 . 1 1 22 22 HIS H H 1 7.547 . . 1 . . . . . . . . 5665 1 140 . 1 1 22 22 HIS CA C 13 56.573 . . 1 . . . . . . . . 5665 1 141 . 1 1 22 22 HIS HA H 1 4.793 . . 1 . . . . . . . . 5665 1 142 . 1 1 22 22 HIS CB C 13 30.937 . . 1 . . . . . . . . 5665 1 143 . 1 1 22 22 HIS HB3 H 1 2.850 . . 2 . . . . . . . . 5665 1 144 . 1 1 22 22 HIS HB2 H 1 3.243 . . 2 . . . . . . . . 5665 1 145 . 1 1 22 22 HIS C C 13 179.014 . . 1 . . . . . . . . 5665 1 146 . 1 1 23 23 GLU N N 15 118.288 . . 1 . . . . . . . . 5665 1 147 . 1 1 23 23 GLU H H 1 7.869 . . 1 . . . . . . . . 5665 1 148 . 1 1 23 23 GLU CA C 13 56.321 . . 1 . . . . . . . . 5665 1 149 . 1 1 23 23 GLU HA H 1 4.443 . . 1 . . . . . . . . 5665 1 150 . 1 1 23 23 GLU CB C 13 32.409 . . 1 . . . . . . . . 5665 1 151 . 1 1 23 23 GLU HB3 H 1 2.267 . . 1 . . . . . . . . 5665 1 152 . 1 1 23 23 GLU HB2 H 1 2.267 . . 1 . . . . . . . . 5665 1 153 . 1 1 23 23 GLU CG C 13 37.362 . . 1 . . . . . . . . 5665 1 154 . 1 1 23 23 GLU HG3 H 1 2.240 . . 2 . . . . . . . . 5665 1 155 . 1 1 23 23 GLU HG2 H 1 2.267 . . 2 . . . . . . . . 5665 1 156 . 1 1 23 23 GLU C C 13 177.634 . . 1 . . . . . . . . 5665 1 157 . 1 1 24 24 VAL N N 15 111.116 . . 1 . . . . . . . . 5665 1 158 . 1 1 24 24 VAL H H 1 6.985 . . 1 . . . . . . . . 5665 1 159 . 1 1 24 24 VAL CA C 13 58.835 . . 1 . . . . . . . . 5665 1 160 . 1 1 24 24 VAL HA H 1 4.909 . . 1 . . . . . . . . 5665 1 161 . 1 1 24 24 VAL CB C 13 33.620 . . 1 . . . . . . . . 5665 1 162 . 1 1 24 24 VAL HB H 1 2.714 . . 1 . . . . . . . . 5665 1 163 . 1 1 24 24 VAL CG2 C 13 17.349 . . 1 . . . . . . . . 5665 1 164 . 1 1 24 24 VAL HG21 H 1 0.710 . . 2 . . . . . . . . 5665 1 165 . 1 1 24 24 VAL HG22 H 1 0.710 . . 2 . . . . . . . . 5665 1 166 . 1 1 24 24 VAL HG23 H 1 0.710 . . 2 . . . . . . . . 5665 1 167 . 1 1 24 24 VAL CG1 C 13 22.762 . . 1 . . . . . . . . 5665 1 168 . 1 1 24 24 VAL HG11 H 1 0.977 . . 2 . . . . . . . . 5665 1 169 . 1 1 24 24 VAL HG12 H 1 0.977 . . 2 . . . . . . . . 5665 1 170 . 1 1 24 24 VAL HG13 H 1 0.977 . . 2 . . . . . . . . 5665 1 171 . 1 1 24 24 VAL C C 13 177.373 . . 1 . . . . . . . . 5665 1 172 . 1 1 25 25 ARG N N 15 122.511 . . 1 . . . . . . . . 5665 1 173 . 1 1 25 25 ARG H H 1 9.099 . . 1 . . . . . . . . 5665 1 174 . 1 1 25 25 ARG CA C 13 58.393 . . 1 . . . . . . . . 5665 1 175 . 1 1 25 25 ARG HA H 1 4.255 . . 1 . . . . . . . . 5665 1 176 . 1 1 25 25 ARG CB C 13 30.688 . . 1 . . . . . . . . 5665 1 177 . 1 1 25 25 ARG HB3 H 1 1.834 . . 1 . . . . . . . . 5665 1 178 . 1 1 25 25 ARG HB2 H 1 1.834 . . 1 . . . . . . . . 5665 1 179 . 1 1 25 25 ARG CG C 13 27.565 . . 1 . . . . . . . . 5665 1 180 . 1 1 25 25 ARG HG3 H 1 1.632 . . 1 . . . . . . . . 5665 1 181 . 1 1 25 25 ARG HG2 H 1 1.632 . . 1 . . . . . . . . 5665 1 182 . 1 1 25 25 ARG CD C 13 43.425 . . 1 . . . . . . . . 5665 1 183 . 1 1 25 25 ARG HD3 H 1 3.239 . . 1 . . . . . . . . 5665 1 184 . 1 1 25 25 ARG HD2 H 1 3.239 . . 1 . . . . . . . . 5665 1 185 . 1 1 25 25 ARG C C 13 180.401 . . 1 . . . . . . . . 5665 1 186 . 1 1 26 26 LYS N N 15 119.925 . . 1 . . . . . . . . 5665 1 187 . 1 1 26 26 LYS H H 1 8.538 . . 1 . . . . . . . . 5665 1 188 . 1 1 26 26 LYS CA C 13 54.896 . . 1 . . . . . . . . 5665 1 189 . 1 1 26 26 LYS HA H 1 4.503 . . 1 . . . . . . . . 5665 1 190 . 1 1 26 26 LYS CB C 13 36.732 . . 1 . . . . . . . . 5665 1 191 . 1 1 26 26 LYS HB3 H 1 1.648 . . 1 . . . . . . . . 5665 1 192 . 1 1 26 26 LYS HB2 H 1 1.648 . . 1 . . . . . . . . 5665 1 193 . 1 1 26 26 LYS CG C 13 28.721 . . 1 . . . . . . . . 5665 1 194 . 1 1 26 26 LYS HG3 H 1 1.288 . . 1 . . . . . . . . 5665 1 195 . 1 1 26 26 LYS HG2 H 1 1.288 . . 1 . . . . . . . . 5665 1 196 . 1 1 26 26 LYS CD C 13 25.096 . . 1 . . . . . . . . 5665 1 197 . 1 1 26 26 LYS HD3 H 1 1.648 . . 1 . . . . . . . . 5665 1 198 . 1 1 26 26 LYS HD2 H 1 1.648 . . 1 . . . . . . . . 5665 1 199 . 1 1 26 26 LYS CE C 13 42.076 . . 1 . . . . . . . . 5665 1 200 . 1 1 26 26 LYS HE3 H 1 2.771 . . 2 . . . . . . . . 5665 1 201 . 1 1 26 26 LYS HE2 H 1 2.869 . . 2 . . . . . . . . 5665 1 202 . 1 1 26 26 LYS C C 13 175.124 . . 1 . . . . . . . . 5665 1 203 . 1 1 27 27 LEU N N 15 124.916 . . 1 . . . . . . . . 5665 1 204 . 1 1 27 27 LEU H H 1 8.459 . . 1 . . . . . . . . 5665 1 205 . 1 1 27 27 LEU CA C 13 53.355 . . 1 . . . . . . . . 5665 1 206 . 1 1 27 27 LEU HA H 1 4.815 . . 1 . . . . . . . . 5665 1 207 . 1 1 27 27 LEU CB C 13 44.467 . . 1 . . . . . . . . 5665 1 208 . 1 1 27 27 LEU HB3 H 1 1.180 . . 2 . . . . . . . . 5665 1 209 . 1 1 27 27 LEU HB2 H 1 1.628 . . 2 . . . . . . . . 5665 1 210 . 1 1 27 27 LEU CD1 C 13 25.094 . . 1 . . . . . . . . 5665 1 211 . 1 1 27 27 LEU HD11 H 1 0.526 . . 2 . . . . . . . . 5665 1 212 . 1 1 27 27 LEU HD12 H 1 0.526 . . 2 . . . . . . . . 5665 1 213 . 1 1 27 27 LEU HD13 H 1 0.526 . . 2 . . . . . . . . 5665 1 214 . 1 1 27 27 LEU CD2 C 13 25.145 . . 1 . . . . . . . . 5665 1 215 . 1 1 27 27 LEU HD21 H 1 0.485 . . 2 . . . . . . . . 5665 1 216 . 1 1 27 27 LEU HD22 H 1 0.485 . . 2 . . . . . . . . 5665 1 217 . 1 1 27 27 LEU HD23 H 1 0.485 . . 2 . . . . . . . . 5665 1 218 . 1 1 27 27 LEU C C 13 177.863 . . 1 . . . . . . . . 5665 1 219 . 1 1 28 28 ILE N N 15 128.928 . . 1 . . . . . . . . 5665 1 220 . 1 1 28 28 ILE H H 1 9.439 . . 1 . . . . . . . . 5665 1 221 . 1 1 28 28 ILE CA C 13 61.459 . . 1 . . . . . . . . 5665 1 222 . 1 1 28 28 ILE HA H 1 4.215 . . 1 . . . . . . . . 5665 1 223 . 1 1 28 28 ILE CB C 13 38.190 . . 1 . . . . . . . . 5665 1 224 . 1 1 28 28 ILE HB H 1 2.100 . . 1 . . . . . . . . 5665 1 225 . 1 1 28 28 ILE CG1 C 13 29.045 . . 2 . . . . . . . . 5665 1 226 . 1 1 28 28 ILE HG13 H 1 1.450 . . 2 . . . . . . . . 5665 1 227 . 1 1 28 28 ILE HG12 H 1 1.156 . . 2 . . . . . . . . 5665 1 228 . 1 1 28 28 ILE CD1 C 13 14.347 . . 1 . . . . . . . . 5665 1 229 . 1 1 28 28 ILE HD11 H 1 0.813 . . 1 . . . . . . . . 5665 1 230 . 1 1 28 28 ILE HD12 H 1 0.813 . . 1 . . . . . . . . 5665 1 231 . 1 1 28 28 ILE HD13 H 1 0.813 . . 1 . . . . . . . . 5665 1 232 . 1 1 28 28 ILE CG2 C 13 18.125 . . 1 . . . . . . . . 5665 1 233 . 1 1 28 28 ILE HG21 H 1 0.997 . . 1 . . . . . . . . 5665 1 234 . 1 1 28 28 ILE HG22 H 1 0.997 . . 1 . . . . . . . . 5665 1 235 . 1 1 28 28 ILE HG23 H 1 0.997 . . 1 . . . . . . . . 5665 1 236 . 1 1 28 28 ILE C C 13 177.360 . . 1 . . . . . . . . 5665 1 237 . 1 1 29 29 ALA N N 15 129.946 . . 1 . . . . . . . . 5665 1 238 . 1 1 29 29 ALA H H 1 8.607 . . 1 . . . . . . . . 5665 1 239 . 1 1 29 29 ALA CA C 13 52.192 . . 1 . . . . . . . . 5665 1 240 . 1 1 29 29 ALA HA H 1 4.776 . . 1 . . . . . . . . 5665 1 241 . 1 1 29 29 ALA CB C 13 21.504 . . 1 . . . . . . . . 5665 1 242 . 1 1 29 29 ALA HB1 H 1 1.538 . . 1 . . . . . . . . 5665 1 243 . 1 1 29 29 ALA HB2 H 1 1.538 . . 1 . . . . . . . . 5665 1 244 . 1 1 29 29 ALA HB3 H 1 1.538 . . 1 . . . . . . . . 5665 1 245 . 1 1 29 29 ALA C C 13 180.423 . . 1 . . . . . . . . 5665 1 246 . 1 1 30 30 GLY N N 15 113.524 . . 1 . . . . . . . . 5665 1 247 . 1 1 30 30 GLY H H 1 8.337 . . 1 . . . . . . . . 5665 1 248 . 1 1 30 30 GLY CA C 13 44.264 . . 1 . . . . . . . . 5665 1 249 . 1 1 30 30 GLY HA3 H 1 4.570 . . 2 . . . . . . . . 5665 1 250 . 1 1 30 30 GLY HA2 H 1 3.120 . . 2 . . . . . . . . 5665 1 251 . 1 1 31 31 PRO CA C 13 63.622 . . 1 . . . . . . . . 5665 1 252 . 1 1 31 31 PRO HA H 1 4.450 . . 1 . . . . . . . . 5665 1 253 . 1 1 31 31 PRO CB C 13 29.423 . . 1 . . . . . . . . 5665 1 254 . 1 1 31 31 PRO HB3 H 1 2.131 . . 1 . . . . . . . . 5665 1 255 . 1 1 31 31 PRO HB2 H 1 2.131 . . 1 . . . . . . . . 5665 1 256 . 1 1 31 31 PRO CG C 13 27.609 . . 1 . . . . . . . . 5665 1 257 . 1 1 31 31 PRO HG3 H 1 1.985 . . 1 . . . . . . . . 5665 1 258 . 1 1 31 31 PRO HG2 H 1 1.985 . . 1 . . . . . . . . 5665 1 259 . 1 1 31 31 PRO CD C 13 49.203 . . 1 . . . . . . . . 5665 1 260 . 1 1 31 31 PRO C C 13 177.465 . . 1 . . . . . . . . 5665 1 261 . 1 1 32 32 SER N N 15 116.123 . . 1 . . . . . . . . 5665 1 262 . 1 1 32 32 SER H H 1 8.154 . . 1 . . . . . . . . 5665 1 263 . 1 1 32 32 SER CA C 13 58.806 . . 1 . . . . . . . . 5665 1 264 . 1 1 32 32 SER CB C 13 62.489 . . 1 . . . . . . . . 5665 1 265 . 1 1 32 32 SER HB3 H 1 4.180 . . 1 . . . . . . . . 5665 1 266 . 1 1 32 32 SER HB2 H 1 4.180 . . 1 . . . . . . . . 5665 1 267 . 1 1 32 32 SER C C 13 174.914 . . 1 . . . . . . . . 5665 1 268 . 1 1 33 33 VAL N N 15 113.846 . . 1 . . . . . . . . 5665 1 269 . 1 1 33 33 VAL H H 1 6.446 . . 1 . . . . . . . . 5665 1 270 . 1 1 33 33 VAL CA C 13 59.238 . . 1 . . . . . . . . 5665 1 271 . 1 1 33 33 VAL HA H 1 4.281 . . 1 . . . . . . . . 5665 1 272 . 1 1 33 33 VAL CB C 13 34.814 . . 1 . . . . . . . . 5665 1 273 . 1 1 33 33 VAL HB H 1 1.725 . . 1 . . . . . . . . 5665 1 274 . 1 1 33 33 VAL CG2 C 13 18.361 . . 1 . . . . . . . . 5665 1 275 . 1 1 33 33 VAL HG21 H 1 0.084 . . 2 . . . . . . . . 5665 1 276 . 1 1 33 33 VAL HG22 H 1 0.084 . . 2 . . . . . . . . 5665 1 277 . 1 1 33 33 VAL HG23 H 1 0.084 . . 2 . . . . . . . . 5665 1 278 . 1 1 33 33 VAL CG1 C 13 19.962 . . 1 . . . . . . . . 5665 1 279 . 1 1 33 33 VAL HG11 H 1 0.257 . . 2 . . . . . . . . 5665 1 280 . 1 1 33 33 VAL HG12 H 1 0.257 . . 2 . . . . . . . . 5665 1 281 . 1 1 33 33 VAL HG13 H 1 0.257 . . 2 . . . . . . . . 5665 1 282 . 1 1 33 33 VAL C C 13 173.945 . . 1 . . . . . . . . 5665 1 283 . 1 1 34 34 TYR N N 15 119.897 . . 1 . . . . . . . . 5665 1 284 . 1 1 34 34 TYR H H 1 8.658 . . 1 . . . . . . . . 5665 1 285 . 1 1 34 34 TYR CA C 13 57.072 . . 1 . . . . . . . . 5665 1 286 . 1 1 34 34 TYR HA H 1 5.676 . . 1 . . . . . . . . 5665 1 287 . 1 1 34 34 TYR CB C 13 43.726 . . 1 . . . . . . . . 5665 1 288 . 1 1 34 34 TYR HB3 H 1 2.794 . . 2 . . . . . . . . 5665 1 289 . 1 1 34 34 TYR HB2 H 1 3.269 . . 2 . . . . . . . . 5665 1 290 . 1 1 34 34 TYR CD1 C 13 131.450 . . 1 . . . . . . . . 5665 1 291 . 1 1 34 34 TYR CD2 C 13 131.450 . . 1 . . . . . . . . 5665 1 292 . 1 1 34 34 TYR HD1 H 1 6.970 . . 1 . . . . . . . . 5665 1 293 . 1 1 34 34 TYR HD2 H 1 6.970 . . 1 . . . . . . . . 5665 1 294 . 1 1 34 34 TYR CE1 C 13 118.430 . . 1 . . . . . . . . 5665 1 295 . 1 1 34 34 TYR CE2 C 13 118.430 . . 1 . . . . . . . . 5665 1 296 . 1 1 34 34 TYR HE1 H 1 7.000 . . 1 . . . . . . . . 5665 1 297 . 1 1 34 34 TYR HE2 H 1 7.000 . . 1 . . . . . . . . 5665 1 298 . 1 1 34 34 TYR C C 13 177.936 . . 1 . . . . . . . . 5665 1 299 . 1 1 35 35 ILE N N 15 121.429 . . 1 . . . . . . . . 5665 1 300 . 1 1 35 35 ILE H H 1 9.391 . . 1 . . . . . . . . 5665 1 301 . 1 1 35 35 ILE CA C 13 60.082 . . 1 . . . . . . . . 5665 1 302 . 1 1 35 35 ILE HA H 1 6.133 . . 1 . . . . . . . . 5665 1 303 . 1 1 35 35 ILE CB C 13 41.716 . . 1 . . . . . . . . 5665 1 304 . 1 1 35 35 ILE HB H 1 1.838 . . 1 . . . . . . . . 5665 1 305 . 1 1 35 35 ILE CG1 C 13 30.247 . . 1 . . . . . . . . 5665 1 306 . 1 1 35 35 ILE HG12 H 1 1.530 . . 1 . . . . . . . . 5665 1 307 . 1 1 35 35 ILE HG13 H 1 1.530 . . 1 . . . . . . . . 5665 1 308 . 1 1 35 35 ILE CD1 C 13 13.003 . . 1 . . . . . . . . 5665 1 309 . 1 1 35 35 ILE HD11 H 1 -0.121 . . 1 . . . . . . . . 5665 1 310 . 1 1 35 35 ILE HD12 H 1 -0.121 . . 1 . . . . . . . . 5665 1 311 . 1 1 35 35 ILE HD13 H 1 -0.121 . . 1 . . . . . . . . 5665 1 312 . 1 1 35 35 ILE CG2 C 13 15.453 . . 1 . . . . . . . . 5665 1 313 . 1 1 35 35 ILE HG21 H 1 0.638 . . 1 . . . . . . . . 5665 1 314 . 1 1 35 35 ILE HG22 H 1 0.638 . . 1 . . . . . . . . 5665 1 315 . 1 1 35 35 ILE HG23 H 1 0.638 . . 1 . . . . . . . . 5665 1 316 . 1 1 35 35 ILE C C 13 175.073 . . 1 . . . . . . . . 5665 1 317 . 1 1 36 36 CYS N N 15 108.279 . . 1 . . . . . . . . 5665 1 318 . 1 1 36 36 CYS H H 1 9.012 . . 1 . . . . . . . . 5665 1 319 . 1 1 36 36 CYS CA C 13 56.877 . . 1 . . . . . . . . 5665 1 320 . 1 1 36 36 CYS HA H 1 5.983 . . 1 . . . . . . . . 5665 1 321 . 1 1 36 36 CYS CB C 13 34.608 . . 1 . . . . . . . . 5665 1 322 . 1 1 36 36 CYS HB3 H 1 2.833 . . 2 . . . . . . . . 5665 1 323 . 1 1 36 36 CYS HB2 H 1 3.480 . . 2 . . . . . . . . 5665 1 324 . 1 1 36 36 CYS C C 13 177.940 . . 1 . . . . . . . . 5665 1 325 . 1 1 37 37 ASP N N 15 116.087 . . 1 . . . . . . . . 5665 1 326 . 1 1 37 37 ASP H H 1 8.993 . . 1 . . . . . . . . 5665 1 327 . 1 1 37 37 ASP CA C 13 57.280 . . 1 . . . . . . . . 5665 1 328 . 1 1 37 37 ASP HA H 1 4.641 . . 1 . . . . . . . . 5665 1 329 . 1 1 37 37 ASP CB C 13 41.471 . . 1 . . . . . . . . 5665 1 330 . 1 1 37 37 ASP HB3 H 1 2.430 . . 2 . . . . . . . . 5665 1 331 . 1 1 37 37 ASP HB2 H 1 2.706 . . 2 . . . . . . . . 5665 1 332 . 1 1 37 37 ASP C C 13 179.640 . . 1 . . . . . . . . 5665 1 333 . 1 1 38 38 GLU N N 15 123.464 . . 1 . . . . . . . . 5665 1 334 . 1 1 38 38 GLU H H 1 8.184 . . 1 . . . . . . . . 5665 1 335 . 1 1 38 38 GLU CA C 13 59.234 . . 1 . . . . . . . . 5665 1 336 . 1 1 38 38 GLU HA H 1 4.217 . . 1 . . . . . . . . 5665 1 337 . 1 1 38 38 GLU CB C 13 28.836 . . 1 . . . . . . . . 5665 1 338 . 1 1 38 38 GLU HB3 H 1 2.331 . . 2 . . . . . . . . 5665 1 339 . 1 1 38 38 GLU HB2 H 1 2.525 . . 2 . . . . . . . . 5665 1 340 . 1 1 38 38 GLU CG C 13 36.310 . . 1 . . . . . . . . 5665 1 341 . 1 1 38 38 GLU HG3 H 1 2.094 . . 1 . . . . . . . . 5665 1 342 . 1 1 38 38 GLU HG2 H 1 2.094 . . 1 . . . . . . . . 5665 1 343 . 1 1 38 38 GLU C C 13 173.199 . . 1 . . . . . . . . 5665 1 344 . 1 1 39 39 CYS N N 15 127.261 . . 1 . . . . . . . . 5665 1 345 . 1 1 39 39 CYS H H 1 9.201 . . 1 . . . . . . . . 5665 1 346 . 1 1 39 39 CYS CA C 13 65.571 . . 1 . . . . . . . . 5665 1 347 . 1 1 39 39 CYS HA H 1 4.030 . . 1 . . . . . . . . 5665 1 348 . 1 1 39 39 CYS CB C 13 27.364 . . 1 . . . . . . . . 5665 1 349 . 1 1 39 39 CYS HB3 H 1 2.541 . . 2 . . . . . . . . 5665 1 350 . 1 1 39 39 CYS HB2 H 1 3.043 . . 2 . . . . . . . . 5665 1 351 . 1 1 39 39 CYS C C 13 181.040 . . 1 . . . . . . . . 5665 1 352 . 1 1 40 40 VAL N N 15 123.028 . . 1 . . . . . . . . 5665 1 353 . 1 1 40 40 VAL H H 1 8.533 . . 1 . . . . . . . . 5665 1 354 . 1 1 40 40 VAL CA C 13 68.368 . . 1 . . . . . . . . 5665 1 355 . 1 1 40 40 VAL HA H 1 3.204 . . 1 . . . . . . . . 5665 1 356 . 1 1 40 40 VAL CB C 13 31.139 . . 1 . . . . . . . . 5665 1 357 . 1 1 40 40 VAL HB H 1 1.963 . . 1 . . . . . . . . 5665 1 358 . 1 1 40 40 VAL CG2 C 13 22.160 . . 1 . . . . . . . . 5665 1 359 . 1 1 40 40 VAL HG21 H 1 0.725 . . 2 . . . . . . . . 5665 1 360 . 1 1 40 40 VAL HG22 H 1 0.725 . . 2 . . . . . . . . 5665 1 361 . 1 1 40 40 VAL HG23 H 1 0.725 . . 2 . . . . . . . . 5665 1 362 . 1 1 40 40 VAL CG1 C 13 24.349 . . 1 . . . . . . . . 5665 1 363 . 1 1 40 40 VAL HG11 H 1 0.768 . . 2 . . . . . . . . 5665 1 364 . 1 1 40 40 VAL HG12 H 1 0.768 . . 2 . . . . . . . . 5665 1 365 . 1 1 40 40 VAL HG13 H 1 0.768 . . 2 . . . . . . . . 5665 1 366 . 1 1 40 40 VAL C C 13 179.536 . . 1 . . . . . . . . 5665 1 367 . 1 1 41 41 ASP N N 15 119.752 . . 1 . . . . . . . . 5665 1 368 . 1 1 41 41 ASP H H 1 7.465 . . 1 . . . . . . . . 5665 1 369 . 1 1 41 41 ASP CA C 13 58.067 . . 1 . . . . . . . . 5665 1 370 . 1 1 41 41 ASP HA H 1 4.483 . . 1 . . . . . . . . 5665 1 371 . 1 1 41 41 ASP CB C 13 40.539 . . 1 . . . . . . . . 5665 1 372 . 1 1 41 41 ASP HB3 H 1 2.758 . . 2 . . . . . . . . 5665 1 373 . 1 1 41 41 ASP HB2 H 1 2.878 . . 2 . . . . . . . . 5665 1 374 . 1 1 41 41 ASP C C 13 180.931 . . 1 . . . . . . . . 5665 1 375 . 1 1 42 42 LEU N N 15 120.851 . . 1 . . . . . . . . 5665 1 376 . 1 1 42 42 LEU H H 1 7.562 . . 1 . . . . . . . . 5665 1 377 . 1 1 42 42 LEU CA C 13 58.175 . . 1 . . . . . . . . 5665 1 378 . 1 1 42 42 LEU HA H 1 4.198 . . 1 . . . . . . . . 5665 1 379 . 1 1 42 42 LEU CB C 13 41.622 . . 1 . . . . . . . . 5665 1 380 . 1 1 42 42 LEU HB3 H 1 1.819 . . 1 . . . . . . . . 5665 1 381 . 1 1 42 42 LEU HB2 H 1 1.819 . . 1 . . . . . . . . 5665 1 382 . 1 1 42 42 LEU CD1 C 13 26.739 . . 1 . . . . . . . . 5665 1 383 . 1 1 42 42 LEU HD11 H 1 0.978 . . 2 . . . . . . . . 5665 1 384 . 1 1 42 42 LEU HD12 H 1 0.978 . . 2 . . . . . . . . 5665 1 385 . 1 1 42 42 LEU HD13 H 1 0.978 . . 2 . . . . . . . . 5665 1 386 . 1 1 42 42 LEU CD2 C 13 24.559 . . 1 . . . . . . . . 5665 1 387 . 1 1 42 42 LEU HD21 H 1 0.930 . . 2 . . . . . . . . 5665 1 388 . 1 1 42 42 LEU HD22 H 1 0.930 . . 2 . . . . . . . . 5665 1 389 . 1 1 42 42 LEU HD23 H 1 0.930 . . 2 . . . . . . . . 5665 1 390 . 1 1 42 42 LEU C C 13 175.305 . . 1 . . . . . . . . 5665 1 391 . 1 1 43 43 CYS N N 15 117.822 . . 1 . . . . . . . . 5665 1 392 . 1 1 43 43 CYS H H 1 8.311 . . 1 . . . . . . . . 5665 1 393 . 1 1 43 43 CYS CA C 13 64.330 . . 1 . . . . . . . . 5665 1 394 . 1 1 43 43 CYS HA H 1 3.916 . . 1 . . . . . . . . 5665 1 395 . 1 1 43 43 CYS CB C 13 27.390 . . 1 . . . . . . . . 5665 1 396 . 1 1 43 43 CYS HB3 H 1 2.281 . . 2 . . . . . . . . 5665 1 397 . 1 1 43 43 CYS HB2 H 1 3.241 . . 2 . . . . . . . . 5665 1 398 . 1 1 43 43 CYS C C 13 176.643 . . 1 . . . . . . . . 5665 1 399 . 1 1 44 44 ASN N N 15 118.807 . . 1 . . . . . . . . 5665 1 400 . 1 1 44 44 ASN H H 1 8.490 . . 1 . . . . . . . . 5665 1 401 . 1 1 44 44 ASN CA C 13 56.397 . . 1 . . . . . . . . 5665 1 402 . 1 1 44 44 ASN HA H 1 4.303 . . 1 . . . . . . . . 5665 1 403 . 1 1 44 44 ASN CB C 13 38.264 . . 1 . . . . . . . . 5665 1 404 . 1 1 44 44 ASN HB3 H 1 2.657 . . 2 . . . . . . . . 5665 1 405 . 1 1 44 44 ASN HB2 H 1 3.032 . . 2 . . . . . . . . 5665 1 406 . 1 1 44 44 ASN ND2 N 15 110.740 . . 1 . . . . . . . . 5665 1 407 . 1 1 44 44 ASN HD21 H 1 7.520 . . 2 . . . . . . . . 5665 1 408 . 1 1 44 44 ASN HD22 H 1 7.820 . . 2 . . . . . . . . 5665 1 409 . 1 1 44 44 ASN C C 13 179.993 . . 1 . . . . . . . . 5665 1 410 . 1 1 45 45 ASP N N 15 121.320 . . 1 . . . . . . . . 5665 1 411 . 1 1 45 45 ASP H H 1 7.781 . . 1 . . . . . . . . 5665 1 412 . 1 1 45 45 ASP CA C 13 57.680 . . 1 . . . . . . . . 5665 1 413 . 1 1 45 45 ASP HA H 1 4.404 . . 1 . . . . . . . . 5665 1 414 . 1 1 45 45 ASP CB C 13 40.444 . . 1 . . . . . . . . 5665 1 415 . 1 1 45 45 ASP HB3 H 1 2.703 . . 2 . . . . . . . . 5665 1 416 . 1 1 45 45 ASP HB2 H 1 2.956 . . 2 . . . . . . . . 5665 1 417 . 1 1 45 45 ASP C C 13 180.747 . . 1 . . . . . . . . 5665 1 418 . 1 1 46 46 ILE N N 15 121.342 . . 1 . . . . . . . . 5665 1 419 . 1 1 46 46 ILE H H 1 7.893 . . 1 . . . . . . . . 5665 1 420 . 1 1 46 46 ILE CA C 13 64.874 . . 1 . . . . . . . . 5665 1 421 . 1 1 46 46 ILE HA H 1 3.773 . . 1 . . . . . . . . 5665 1 422 . 1 1 46 46 ILE CB C 13 38.527 . . 1 . . . . . . . . 5665 1 423 . 1 1 46 46 ILE HB H 1 1.954 . . 1 . . . . . . . . 5665 1 424 . 1 1 46 46 ILE CG1 C 13 28.939 . . 2 . . . . . . . . 5665 1 425 . 1 1 46 46 ILE HG13 H 1 1.110 . . 1 . . . . . . . . 5665 1 426 . 1 1 46 46 ILE HG12 H 1 1.110 . . 1 . . . . . . . . 5665 1 427 . 1 1 46 46 ILE CD1 C 13 13.809 . . 1 . . . . . . . . 5665 1 428 . 1 1 46 46 ILE HD11 H 1 0.910 . . 1 . . . . . . . . 5665 1 429 . 1 1 46 46 ILE HD12 H 1 0.910 . . 1 . . . . . . . . 5665 1 430 . 1 1 46 46 ILE HD13 H 1 0.910 . . 1 . . . . . . . . 5665 1 431 . 1 1 46 46 ILE CG2 C 13 17.442 . . 2 . . . . . . . . 5665 1 432 . 1 1 46 46 ILE HG21 H 1 0.902 . . 4 . . . . . . . . 5665 1 433 . 1 1 46 46 ILE HG22 H 1 0.902 . . 4 . . . . . . . . 5665 1 434 . 1 1 46 46 ILE HG23 H 1 0.902 . . 4 . . . . . . . . 5665 1 435 . 1 1 46 46 ILE C C 13 181.232 . . 1 . . . . . . . . 5665 1 436 . 1 1 47 47 ILE N N 15 119.729 . . 1 . . . . . . . . 5665 1 437 . 1 1 47 47 ILE H H 1 8.280 . . 1 . . . . . . . . 5665 1 438 . 1 1 47 47 ILE CA C 13 64.917 . . 1 . . . . . . . . 5665 1 439 . 1 1 47 47 ILE HA H 1 4.167 . . 1 . . . . . . . . 5665 1 440 . 1 1 47 47 ILE CB C 13 38.140 . . 1 . . . . . . . . 5665 1 441 . 1 1 47 47 ILE HB H 1 2.343 . . 1 . . . . . . . . 5665 1 442 . 1 1 47 47 ILE CD1 C 13 13.507 . . 1 . . . . . . . . 5665 1 443 . 1 1 47 47 ILE HD11 H 1 0.800 . . 1 . . . . . . . . 5665 1 444 . 1 1 47 47 ILE HD12 H 1 0.800 . . 1 . . . . . . . . 5665 1 445 . 1 1 47 47 ILE HD13 H 1 0.800 . . 1 . . . . . . . . 5665 1 446 . 1 1 47 47 ILE CG2 C 13 17.443 . . 1 . . . . . . . . 5665 1 447 . 1 1 47 47 ILE HG21 H 1 0.923 . . 1 . . . . . . . . 5665 1 448 . 1 1 47 47 ILE HG22 H 1 0.923 . . 1 . . . . . . . . 5665 1 449 . 1 1 47 47 ILE HG23 H 1 0.923 . . 1 . . . . . . . . 5665 1 450 . 1 1 47 47 ILE C C 13 176.880 . . 1 . . . . . . . . 5665 1 451 . 1 1 48 48 ARG N N 15 119.325 . . 1 . . . . . . . . 5665 1 452 . 1 1 48 48 ARG H H 1 8.035 . . 1 . . . . . . . . 5665 1 453 . 1 1 48 48 ARG CA C 13 58.522 . . 1 . . . . . . . . 5665 1 454 . 1 1 48 48 ARG HA H 1 4.081 . . 1 . . . . . . . . 5665 1 455 . 1 1 48 48 ARG CB C 13 30.330 . . 1 . . . . . . . . 5665 1 456 . 1 1 48 48 ARG HB3 H 1 1.938 . . 1 . . . . . . . . 5665 1 457 . 1 1 48 48 ARG HB2 H 1 1.938 . . 1 . . . . . . . . 5665 1 458 . 1 1 48 48 ARG CG C 13 27.730 . . 1 . . . . . . . . 5665 1 459 . 1 1 48 48 ARG HG3 H 1 1.480 . . 2 . . . . . . . . 5665 1 460 . 1 1 48 48 ARG HG2 H 1 1.685 . . 2 . . . . . . . . 5665 1 461 . 1 1 48 48 ARG CD C 13 43.384 . . 1 . . . . . . . . 5665 1 462 . 1 1 48 48 ARG HD3 H 1 3.219 . . 1 . . . . . . . . 5665 1 463 . 1 1 48 48 ARG HD2 H 1 3.219 . . 1 . . . . . . . . 5665 1 464 . 1 1 48 48 ARG C C 13 179.760 . . 1 . . . . . . . . 5665 1 465 . 1 1 49 49 GLU N N 15 117.933 . . 1 . . . . . . . . 5665 1 466 . 1 1 49 49 GLU H H 1 7.711 . . 1 . . . . . . . . 5665 1 467 . 1 1 49 49 GLU CA C 13 57.790 . . 1 . . . . . . . . 5665 1 468 . 1 1 49 49 GLU HA H 1 4.162 . . 1 . . . . . . . . 5665 1 469 . 1 1 49 49 GLU CB C 13 30.025 . . 1 . . . . . . . . 5665 1 470 . 1 1 49 49 GLU HB3 H 1 2.103 . . 1 . . . . . . . . 5665 1 471 . 1 1 49 49 GLU HB2 H 1 2.103 . . 1 . . . . . . . . 5665 1 472 . 1 1 49 49 GLU CG C 13 36.170 . . 1 . . . . . . . . 5665 1 473 . 1 1 49 49 GLU HG3 H 1 2.100 . . 2 . . . . . . . . 5665 1 474 . 1 1 49 49 GLU HG2 H 1 2.347 . . 2 . . . . . . . . 5665 1 475 . 1 1 49 49 GLU C C 13 179.871 . . 1 . . . . . . . . 5665 1 476 . 1 1 50 50 GLU N N 15 118.928 . . 1 . . . . . . . . 5665 1 477 . 1 1 50 50 GLU H H 1 8.025 . . 1 . . . . . . . . 5665 1 478 . 1 1 50 50 GLU CA C 13 57.463 . . 1 . . . . . . . . 5665 1 479 . 1 1 50 50 GLU HA H 1 4.288 . . 1 . . . . . . . . 5665 1 480 . 1 1 50 50 GLU CB C 13 30.597 . . 1 . . . . . . . . 5665 1 481 . 1 1 50 50 GLU HB3 H 1 2.365 . . 1 . . . . . . . . 5665 1 482 . 1 1 50 50 GLU HB2 H 1 2.365 . . 1 . . . . . . . . 5665 1 483 . 1 1 50 50 GLU CG C 13 36.400 . . 1 . . . . . . . . 5665 1 484 . 1 1 50 50 GLU HG3 H 1 1.970 . . 1 . . . . . . . . 5665 1 485 . 1 1 50 50 GLU HG2 H 1 1.970 . . 1 . . . . . . . . 5665 1 486 . 1 1 50 50 GLU C C 13 179.285 . . 1 . . . . . . . . 5665 1 487 . 1 1 51 51 ILE N N 15 120.127 . . 1 . . . . . . . . 5665 1 488 . 1 1 51 51 ILE H H 1 8.030 . . 1 . . . . . . . . 5665 1 489 . 1 1 51 51 ILE CA C 13 61.214 . . 1 . . . . . . . . 5665 1 490 . 1 1 51 51 ILE HA H 1 4.190 . . 1 . . . . . . . . 5665 1 491 . 1 1 51 51 ILE CB C 13 38.094 . . 1 . . . . . . . . 5665 1 492 . 1 1 51 51 ILE HB H 1 1.990 . . 1 . . . . . . . . 5665 1 493 . 1 1 51 51 ILE CG1 C 13 27.257 . . 1 . . . . . . . . 5665 1 494 . 1 1 51 51 ILE HG12 H 1 1.480 . . 1 . . . . . . . . 5665 1 495 . 1 1 51 51 ILE HG13 H 1 1.480 . . 1 . . . . . . . . 5665 1 496 . 1 1 51 51 ILE CD1 C 13 13.003 . . 1 . . . . . . . . 5665 1 497 . 1 1 51 51 ILE HD11 H 1 0.860 . . 1 . . . . . . . . 5665 1 498 . 1 1 51 51 ILE HD12 H 1 0.860 . . 1 . . . . . . . . 5665 1 499 . 1 1 51 51 ILE HD13 H 1 0.860 . . 1 . . . . . . . . 5665 1 500 . 1 1 51 51 ILE CG2 C 13 17.426 . . 1 . . . . . . . . 5665 1 501 . 1 1 51 51 ILE HG21 H 1 0.876 . . 1 . . . . . . . . 5665 1 502 . 1 1 51 51 ILE HG22 H 1 0.876 . . 1 . . . . . . . . 5665 1 503 . 1 1 51 51 ILE HG23 H 1 0.876 . . 1 . . . . . . . . 5665 1 504 . 1 1 51 51 ILE C C 13 175.916 . . 1 . . . . . . . . 5665 1 505 . 1 1 52 52 LYS N N 15 124.569 . . 1 . . . . . . . . 5665 1 506 . 1 1 52 52 LYS H H 1 8.087 . . 1 . . . . . . . . 5665 1 507 . 1 1 52 52 LYS CA C 13 56.365 . . 1 . . . . . . . . 5665 1 508 . 1 1 52 52 LYS HA H 1 4.324 . . 1 . . . . . . . . 5665 1 509 . 1 1 52 52 LYS CB C 13 33.019 . . 1 . . . . . . . . 5665 1 510 . 1 1 52 52 LYS HB3 H 1 1.837 . . 1 . . . . . . . . 5665 1 511 . 1 1 52 52 LYS HB2 H 1 1.837 . . 1 . . . . . . . . 5665 1 512 . 1 1 52 52 LYS CG C 13 24.632 . . 1 . . . . . . . . 5665 1 513 . 1 1 52 52 LYS HG3 H 1 1.437 . . 1 . . . . . . . . 5665 1 514 . 1 1 52 52 LYS HG2 H 1 1.437 . . 1 . . . . . . . . 5665 1 515 . 1 1 52 52 LYS CD C 13 29.006 . . 1 . . . . . . . . 5665 1 516 . 1 1 52 52 LYS HD3 H 1 1.686 . . 1 . . . . . . . . 5665 1 517 . 1 1 52 52 LYS HD2 H 1 1.686 . . 1 . . . . . . . . 5665 1 518 . 1 1 52 52 LYS CE C 13 42.119 . . 1 . . . . . . . . 5665 1 519 . 1 1 52 52 LYS HE3 H 1 3.003 . . 1 . . . . . . . . 5665 1 520 . 1 1 52 52 LYS HE2 H 1 3.003 . . 1 . . . . . . . . 5665 1 521 . 1 1 52 52 LYS C C 13 178.652 . . 1 . . . . . . . . 5665 1 522 . 1 1 53 53 GLU N N 15 121.933 . . 1 . . . . . . . . 5665 1 523 . 1 1 53 53 GLU H H 1 8.300 . . 1 . . . . . . . . 5665 1 524 . 1 1 53 53 GLU CA C 13 56.433 . . 1 . . . . . . . . 5665 1 525 . 1 1 53 53 GLU HA H 1 4.332 . . 1 . . . . . . . . 5665 1 526 . 1 1 53 53 GLU CB C 13 30.494 . . 1 . . . . . . . . 5665 1 527 . 1 1 53 53 GLU HB3 H 1 2.250 . . 1 . . . . . . . . 5665 1 528 . 1 1 53 53 GLU HB2 H 1 2.250 . . 1 . . . . . . . . 5665 1 529 . 1 1 53 53 GLU CG C 13 36.223 . . 1 . . . . . . . . 5665 1 530 . 1 1 53 53 GLU HG3 H 1 1.965 . . 1 . . . . . . . . 5665 1 531 . 1 1 53 53 GLU HG2 H 1 1.965 . . 1 . . . . . . . . 5665 1 532 . 1 1 53 53 GLU C C 13 176.148 . . 1 . . . . . . . . 5665 1 533 . 1 1 54 54 VAL N N 15 121.631 . . 1 . . . . . . . . 5665 1 534 . 1 1 54 54 VAL H H 1 8.111 . . 1 . . . . . . . . 5665 1 535 . 1 1 54 54 VAL CA C 13 61.957 . . 1 . . . . . . . . 5665 1 536 . 1 1 54 54 VAL HA H 1 4.127 . . 1 . . . . . . . . 5665 1 537 . 1 1 54 54 VAL CB C 13 32.950 . . 1 . . . . . . . . 5665 1 538 . 1 1 54 54 VAL HB H 1 2.081 . . 1 . . . . . . . . 5665 1 539 . 1 1 54 54 VAL CG2 C 13 20.818 . . 1 . . . . . . . . 5665 1 540 . 1 1 54 54 VAL HG21 H 1 0.943 . . 1 . . . . . . . . 5665 1 541 . 1 1 54 54 VAL HG22 H 1 0.943 . . 1 . . . . . . . . 5665 1 542 . 1 1 54 54 VAL HG23 H 1 0.943 . . 1 . . . . . . . . 5665 1 543 . 1 1 54 54 VAL CG1 C 13 20.818 . . 1 . . . . . . . . 5665 1 544 . 1 1 54 54 VAL HG11 H 1 0.943 . . 1 . . . . . . . . 5665 1 545 . 1 1 54 54 VAL HG12 H 1 0.943 . . 1 . . . . . . . . 5665 1 546 . 1 1 54 54 VAL HG13 H 1 0.943 . . 1 . . . . . . . . 5665 1 547 . 1 1 54 54 VAL C C 13 175.298 . . 1 . . . . . . . . 5665 1 548 . 1 1 55 55 ALA N N 15 129.578 . . 1 . . . . . . . . 5665 1 549 . 1 1 55 55 ALA H H 1 8.338 . . 1 . . . . . . . . 5665 1 550 . 1 1 55 55 ALA CA C 13 50.421 . . 1 . . . . . . . . 5665 1 551 . 1 1 55 55 ALA CB C 13 18.480 . . 1 . . . . . . . . 5665 1 552 . 1 1 55 55 ALA HB1 H 1 1.350 . . 1 . . . . . . . . 5665 1 553 . 1 1 55 55 ALA HB2 H 1 1.350 . . 1 . . . . . . . . 5665 1 554 . 1 1 55 55 ALA HB3 H 1 1.350 . . 1 . . . . . . . . 5665 1 555 . 1 1 56 56 PRO CA C 13 63.296 . . 1 . . . . . . . . 5665 1 556 . 1 1 56 56 PRO HA H 1 4.422 . . 1 . . . . . . . . 5665 1 557 . 1 1 56 56 PRO CB C 13 31.924 . . 1 . . . . . . . . 5665 1 558 . 1 1 56 56 PRO HB3 H 1 2.262 . . 1 . . . . . . . . 5665 1 559 . 1 1 56 56 PRO HB2 H 1 2.262 . . 1 . . . . . . . . 5665 1 560 . 1 1 56 56 PRO CG C 13 27.164 . . 1 . . . . . . . . 5665 1 561 . 1 1 56 56 PRO HG3 H 1 1.983 . . 1 . . . . . . . . 5665 1 562 . 1 1 56 56 PRO HG2 H 1 1.983 . . 1 . . . . . . . . 5665 1 563 . 1 1 56 56 PRO CD C 13 50.394 . . 1 . . . . . . . . 5665 1 564 . 1 1 56 56 PRO C C 13 175.827 . . 1 . . . . . . . . 5665 1 565 . 1 1 57 57 HIS N N 15 124.186 . . 1 . . . . . . . . 5665 1 566 . 1 1 57 57 HIS H H 1 7.859 . . 1 . . . . . . . . 5665 1 567 . 1 1 57 57 HIS CA C 13 57.233 . . 1 . . . . . . . . 5665 1 568 . 1 1 57 57 HIS CB C 13 30.681 . . 1 . . . . . . . . 5665 1 569 . 1 1 57 57 HIS HD2 H 1 3.653 . . 2 . . . . . . . . 5665 1 570 . 1 1 57 57 HIS HD1 H 1 3.794 . . 2 . . . . . . . . 5665 1 stop_ save_