data_16247 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16247 _Entry.Title ; NMR solution structure of the b30-82 domain of subunit b of Escherichia coli F1FO ATP synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-08 _Entry.Accession_date 2009-04-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _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 Ragunathan Priya N. . . 16247 2 Goran Biukovic . . . 16247 3 Shovanlal Gayen . . . 16247 4 Subramanian Vivekanandan . . . 16247 5 Gerhard Gruber . . . 16247 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16247 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 210 16247 '15N chemical shifts' 51 16247 '1H chemical shifts' 326 16247 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-02-10 2009-04-08 update BMRB 'completed entry citation' 16247 1 . . 2009-10-16 2009-04-08 original author 'original release' 16247 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KHK 'BMRB Entry Tracking System' 16247 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16247 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19820091 _Citation.Full_citation . _Citation.Title 'Solution structure, determined by nuclear magnetic resonance, of the b30-82 domain of subunit b of Escherichia coli F1Fo ATP synthase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full 'Journal of bacteriology' _Citation.Journal_volume 191 _Citation.Journal_issue 24 _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 7538 _Citation.Page_last 7544 _Citation.Year 2009 _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 Ragunathan Priya . . . 16247 1 2 Goran Biukovic . . . 16247 1 3 Shovanlal Gayen . . . 16247 1 4 Subramanian Vivekanandan . . . 16247 1 5 Gerhard Gruber . . . 16247 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'F1Fo ATP synthase' 16247 1 'NMR spectroscopy' 16247 1 'small angle x ray scattering' 16247 1 'subunit b' 16247 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16247 _Assembly.ID 1 _Assembly.Name 'F1Fo ATP synthase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit b 30-82' 1 $subunit_b_30-82 A . yes native no no . . . 16247 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_subunit_b_30-82 _Entity.Sf_category entity _Entity.Sf_framecode subunit_b_30-82 _Entity.Entry_ID 16247 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name subunit_b_30-82 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAAIEKRQKEIADGLASAER AHKDLDLAKASATDQLKKAK AEAQVIIEQANKR ; _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 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5785.686 _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 PDB 2KHK . "Nmr Solution Structure Of The B30-82 Domain Of Subunit B Of Escherichia Coli F1fo Atp Synthase" . . . . . 100.00 53 100.00 100.00 3.52e-25 . . . . 16247 1 2 no DBJ BAB38101 . "membrane-bound ATP synthase subunit b AtpF [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 3 no DBJ BAE77552 . "F0 sector of membrane-bound ATP synthase, subunit b [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 4 no DBJ BAG79550 . "ATP synthase subunit B [Escherichia coli SE11]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 5 no DBJ BAI28000 . "F0 sector of membrane-bound ATP synthase, subunit b AtpF [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 6 no DBJ BAI33123 . "F0 sector of membrane-bound ATP synthase, subunit b AtpF [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 7 no EMBL CAA23516 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 8 no EMBL CAA23523 . "atpF [Escherichia coli]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 9 no EMBL CAA25778 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 10 no EMBL CAD03126 . "ATP synthase subunit B [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 156 100.00 100.00 2.25e-24 . . . . 16247 1 11 no EMBL CAP78194 . "ATP synthase B chain [Escherichia coli LF82]" . . . . . 100.00 156 100.00 100.00 2.27e-24 . . . . 16247 1 12 no GB AAA24733 . "ATP synthase b subunit [Escherichia coli]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 13 no GB AAA24741 . "proton-translocating ATPase b subunit (uncF; gtg start codon) [Escherichia coli]" . . . . . 100.00 156 98.11 98.11 1.52e-23 . . . . 16247 1 14 no GB AAA62088 . "ATP synthase F0 subunit b [Escherichia coli]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 15 no GB AAA83871 . "integral membrane proton channel F0 subunit B [Escherichia coli]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 16 no GB AAC76759 . "F0 sector of membrane-bound ATP synthase, subunit b [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 17 no PIR AB0954 . "ATP synthase chain B [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 156 100.00 100.00 2.25e-24 . . . . 16247 1 18 no REF NP_312705 . "ATP synthase F0F1 subunit B [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 19 no REF NP_418192 . "F0 sector of membrane-bound ATP synthase, subunit b [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 20 no REF NP_458074 . "ATP synthase subunit B [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 156 100.00 100.00 2.25e-24 . . . . 16247 1 21 no REF NP_462768 . "F0F1 ATP synthase subunit B [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 156 100.00 100.00 2.25e-24 . . . . 16247 1 22 no REF NP_709549 . "ATP synthase F0F1 subunit B [Shigella flexneri 2a str. 301]" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 23 no SP A7ZTU8 . "RecName: Full=ATP synthase subunit b; AltName: Full=ATP synthase F(0) sector subunit b; AltName: Full=ATPase subunit I; AltName" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 24 no SP A8A6J9 . "RecName: Full=ATP synthase subunit b; AltName: Full=ATP synthase F(0) sector subunit b; AltName: Full=ATPase subunit I; AltName" . . . . . 100.00 156 100.00 100.00 1.98e-24 . . . . 16247 1 25 no SP A8ACP2 . "RecName: Full=ATP synthase subunit b; AltName: Full=ATP synthase F(0) sector subunit b; AltName: Full=ATPase subunit I; AltName" . . . . . 100.00 156 100.00 100.00 2.27e-24 . . . . 16247 1 26 no SP A9MJR5 . "RecName: Full=ATP synthase subunit b; AltName: Full=ATP synthase F(0) sector subunit b; AltName: Full=ATPase subunit I; AltName" . . . . . 100.00 156 100.00 100.00 2.25e-24 . . . . 16247 1 27 no SP A9MXB0 . "RecName: Full=ATP synthase subunit b; AltName: Full=ATP synthase F(0) sector subunit b; AltName: Full=ATPase subunit I; AltName" . . . . . 100.00 156 100.00 100.00 2.25e-24 . . . . 16247 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 1 MET . 16247 1 2 2 ALA . 16247 1 3 3 ALA . 16247 1 4 4 ILE . 16247 1 5 5 GLU . 16247 1 6 6 LYS . 16247 1 7 7 ARG . 16247 1 8 8 GLN . 16247 1 9 9 LYS . 16247 1 10 10 GLU . 16247 1 11 11 ILE . 16247 1 12 12 ALA . 16247 1 13 13 ASP . 16247 1 14 14 GLY . 16247 1 15 15 LEU . 16247 1 16 16 ALA . 16247 1 17 17 SER . 16247 1 18 18 ALA . 16247 1 19 19 GLU . 16247 1 20 20 ARG . 16247 1 21 21 ALA . 16247 1 22 22 HIS . 16247 1 23 23 LYS . 16247 1 24 24 ASP . 16247 1 25 25 LEU . 16247 1 26 26 ASP . 16247 1 27 27 LEU . 16247 1 28 28 ALA . 16247 1 29 29 LYS . 16247 1 30 30 ALA . 16247 1 31 31 SER . 16247 1 32 32 ALA . 16247 1 33 33 THR . 16247 1 34 34 ASP . 16247 1 35 35 GLN . 16247 1 36 36 LEU . 16247 1 37 37 LYS . 16247 1 38 38 LYS . 16247 1 39 39 ALA . 16247 1 40 40 LYS . 16247 1 41 41 ALA . 16247 1 42 42 GLU . 16247 1 43 43 ALA . 16247 1 44 44 GLN . 16247 1 45 45 VAL . 16247 1 46 46 ILE . 16247 1 47 47 ILE . 16247 1 48 48 GLU . 16247 1 49 49 GLN . 16247 1 50 50 ALA . 16247 1 51 51 ASN . 16247 1 52 52 LYS . 16247 1 53 53 ARG . 16247 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 16247 1 . ALA 2 2 16247 1 . ALA 3 3 16247 1 . ILE 4 4 16247 1 . GLU 5 5 16247 1 . LYS 6 6 16247 1 . ARG 7 7 16247 1 . GLN 8 8 16247 1 . LYS 9 9 16247 1 . GLU 10 10 16247 1 . ILE 11 11 16247 1 . ALA 12 12 16247 1 . ASP 13 13 16247 1 . GLY 14 14 16247 1 . LEU 15 15 16247 1 . ALA 16 16 16247 1 . SER 17 17 16247 1 . ALA 18 18 16247 1 . GLU 19 19 16247 1 . ARG 20 20 16247 1 . ALA 21 21 16247 1 . HIS 22 22 16247 1 . LYS 23 23 16247 1 . ASP 24 24 16247 1 . LEU 25 25 16247 1 . ASP 26 26 16247 1 . LEU 27 27 16247 1 . ALA 28 28 16247 1 . LYS 29 29 16247 1 . ALA 30 30 16247 1 . SER 31 31 16247 1 . ALA 32 32 16247 1 . THR 33 33 16247 1 . ASP 34 34 16247 1 . GLN 35 35 16247 1 . LEU 36 36 16247 1 . LYS 37 37 16247 1 . LYS 38 38 16247 1 . ALA 39 39 16247 1 . LYS 40 40 16247 1 . ALA 41 41 16247 1 . GLU 42 42 16247 1 . ALA 43 43 16247 1 . GLN 44 44 16247 1 . VAL 45 45 16247 1 . ILE 46 46 16247 1 . ILE 47 47 16247 1 . GLU 48 48 16247 1 . GLN 49 49 16247 1 . ALA 50 50 16247 1 . ASN 51 51 16247 1 . LYS 52 52 16247 1 . ARG 53 53 16247 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 16247 _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 $subunit_b_30-82 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16247 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 16247 _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 $subunit_b_30-82 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET9d1-His3 vector' . . . . . . 16247 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16247 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The NMR sample was prepared in 90% H2O / 10% D2O containing 25 mM NaH2PO4/Na2HPO4/ (pH 6.8) and 0.1% NaN3.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'subunit b 30-82' '[U-99% 13C; U-99% 15N]' . . 1 $subunit_b_30-82 . . 1 . . mM . . . . 16247 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16247 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16247 1 4 NaH2PO4 'natural abundance' . . . . . . 25 . . mM . . . . 16247 1 5 Na2HPO4 'natural abundance' . . . . . . 25 . . mM . . . . 16247 1 6 NaN3 'natural abundance' . . . . . . 0.1 . . % . . . . 16247 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 16247 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The NMR sample was prepared in 90% H2O / 10% D2O containing 25 mM NaH2PO4/Na2HPO4/ (pH 6.8) and 0.1% NaN3 at 15 degree celcius ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 16247 1 pH 6.8 . pH 16247 1 pressure 1 . atm 16247 1 temperature 288 . K 16247 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16247 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 16247 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16247 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16247 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16247 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16247 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16247 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16247 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16247 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16247 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16247 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16247 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16247 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16247 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16247 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 16247 _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 NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16247 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16247 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16247 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16247 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16247 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16247 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 16247 _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 . . . . . . . . . 16247 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16247 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16247 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 16247 _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 0.020 _Assigned_chem_shift_list.Chem_shift_13C_err 0.400 _Assigned_chem_shift_list.Chem_shift_15N_err 0.400 _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 NOESY . . . 16247 1 2 '3D HNCACB' . . . 16247 1 3 '3D HNCO' . . . 16247 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.834 0.020 . 1 . . . . 1 MET H . 16247 1 2 . 1 1 1 1 MET HA H 1 4.436 0.020 . 1 . . . . 1 MET HA . 16247 1 3 . 1 1 1 1 MET HB2 H 1 2.046 0.020 . 1 . . . . 1 MET HB2 . 16247 1 4 . 1 1 1 1 MET HB3 H 1 2.046 0.020 . 1 . . . . 1 MET HB3 . 16247 1 5 . 1 1 1 1 MET HG2 H 1 2.665 0.020 . 1 . . . . 1 MET HG2 . 16247 1 6 . 1 1 1 1 MET HG3 H 1 2.634 0.020 . 1 . . . . 1 MET HG3 . 16247 1 7 . 1 1 1 1 MET C C 13 176.416 0.400 . 1 . . . . 1 MET C . 16247 1 8 . 1 1 1 1 MET CA C 13 55.617 0.400 . 1 . . . . 1 MET CA . 16247 1 9 . 1 1 1 1 MET CB C 13 32.89 0.400 . 1 . . . . 1 MET CB . 16247 1 10 . 1 1 1 1 MET N N 15 120.797 0.400 . 1 . . . . 1 MET N . 16247 1 11 . 1 1 2 2 ALA H H 1 8.426 0.020 . 1 . . . . 2 ALA H . 16247 1 12 . 1 1 2 2 ALA HA H 1 4.303 0.020 . 1 . . . . 2 ALA HA . 16247 1 13 . 1 1 2 2 ALA HB1 H 1 1.459 0.020 . 1 . . . . 2 ALA MB . 16247 1 14 . 1 1 2 2 ALA HB2 H 1 1.459 0.020 . 1 . . . . 2 ALA MB . 16247 1 15 . 1 1 2 2 ALA HB3 H 1 1.459 0.020 . 1 . . . . 2 ALA MB . 16247 1 16 . 1 1 2 2 ALA C C 13 178.047 0.400 . 1 . . . . 2 ALA C . 16247 1 17 . 1 1 2 2 ALA CA C 13 52.957 0.400 . 1 . . . . 2 ALA CA . 16247 1 18 . 1 1 2 2 ALA CB C 13 19.097 0.400 . 1 . . . . 2 ALA CB . 16247 1 19 . 1 1 2 2 ALA N N 15 125.346 0.400 . 1 . . . . 2 ALA N . 16247 1 20 . 1 1 3 3 ALA H H 1 8.424 0.020 . 1 . . . . 3 ALA H . 16247 1 21 . 1 1 3 3 ALA HA H 1 4.272 0.020 . 1 . . . . 3 ALA HA . 16247 1 22 . 1 1 3 3 ALA HB1 H 1 1.453 0.020 . 1 . . . . 3 ALA MB . 16247 1 23 . 1 1 3 3 ALA HB2 H 1 1.453 0.020 . 1 . . . . 3 ALA MB . 16247 1 24 . 1 1 3 3 ALA HB3 H 1 1.453 0.020 . 1 . . . . 3 ALA MB . 16247 1 25 . 1 1 3 3 ALA C C 13 178.831 0.400 . 1 . . . . 3 ALA C . 16247 1 26 . 1 1 3 3 ALA CA C 13 53.277 0.400 . 1 . . . . 3 ALA CA . 16247 1 27 . 1 1 3 3 ALA CB C 13 18.815 0.400 . 1 . . . . 3 ALA CB . 16247 1 28 . 1 1 3 3 ALA N N 15 123.135 0.400 . 1 . . . . 3 ALA N . 16247 1 29 . 1 1 4 4 ILE H H 1 8.153 0.020 . 1 . . . . 4 ILE H . 16247 1 30 . 1 1 4 4 ILE HA H 1 4.057 0.020 . 1 . . . . 4 ILE HA . 16247 1 31 . 1 1 4 4 ILE HB H 1 1.909 0.020 . 1 . . . . 4 ILE HB . 16247 1 32 . 1 1 4 4 ILE HD11 H 1 0.943 0.020 . 1 . . . . 4 ILE MD . 16247 1 33 . 1 1 4 4 ILE HD12 H 1 0.943 0.020 . 1 . . . . 4 ILE MD . 16247 1 34 . 1 1 4 4 ILE HD13 H 1 0.943 0.020 . 1 . . . . 4 ILE MD . 16247 1 35 . 1 1 4 4 ILE HG12 H 1 1.257 0.020 . 1 . . . . 4 ILE HG12 . 16247 1 36 . 1 1 4 4 ILE HG13 H 1 1.257 0.020 . 1 . . . . 4 ILE HG13 . 16247 1 37 . 1 1 4 4 ILE C C 13 174.367 0.400 . 1 . . . . 4 ILE C . 16247 1 38 . 1 1 4 4 ILE CA C 13 59.667 0.400 . 1 . . . . 4 ILE CA . 16247 1 39 . 1 1 4 4 ILE CB C 13 35.772 0.400 . 1 . . . . 4 ILE CB . 16247 1 40 . 1 1 4 4 ILE CD1 C 13 10.316 0.400 . 1 . . . . 4 ILE CD1 . 16247 1 41 . 1 1 4 4 ILE CG1 C 13 25.21 0.400 . 1 . . . . 4 ILE CG1 . 16247 1 42 . 1 1 4 4 ILE CG2 C 13 14.773 0.400 . 1 . . . . 4 ILE CG2 . 16247 1 43 . 1 1 4 4 ILE N N 15 120.052 0.400 . 1 . . . . 4 ILE N . 16247 1 44 . 1 1 5 5 GLU H H 1 8.389 0.020 . 1 . . . . 5 GLU H . 16247 1 45 . 1 1 5 5 GLU HA H 1 4.242 0.020 . 1 . . . . 5 GLU HA . 16247 1 46 . 1 1 5 5 GLU HB2 H 1 2.038 0.020 . 1 . . . . 5 GLU HB2 . 16247 1 47 . 1 1 5 5 GLU HB3 H 1 2.038 0.020 . 1 . . . . 5 GLU HB3 . 16247 1 48 . 1 1 5 5 GLU HG2 H 1 2.304 0.020 . 1 . . . . 5 GLU HG2 . 16247 1 49 . 1 1 5 5 GLU HG3 H 1 2.304 0.020 . 1 . . . . 5 GLU HG3 . 16247 1 50 . 1 1 5 5 GLU C C 13 177.454 0.400 . 1 . . . . 5 GLU C . 16247 1 51 . 1 1 5 5 GLU CA C 13 57.595 0.400 . 1 . . . . 5 GLU CA . 16247 1 52 . 1 1 5 5 GLU CB C 13 29.925 0.400 . 1 . . . . 5 GLU CB . 16247 1 53 . 1 1 5 5 GLU CG C 13 36.488 0.400 . 1 . . . . 5 GLU CG . 16247 1 54 . 1 1 5 5 GLU N N 15 123.85 0.400 . 1 . . . . 5 GLU N . 16247 1 55 . 1 1 6 6 LYS H H 1 8.359 0.020 . 1 . . . . 6 LYS H . 16247 1 56 . 1 1 6 6 LYS HA H 1 4.232 0.020 . 1 . . . . 6 LYS HA . 16247 1 57 . 1 1 6 6 LYS HB2 H 1 1.851 0.020 . 1 . . . . 6 LYS HB2 . 16247 1 58 . 1 1 6 6 LYS HB3 H 1 1.715 0.020 . 1 . . . . 6 LYS HB3 . 16247 1 59 . 1 1 6 6 LYS HD2 H 1 1.535 0.020 . 1 . . . . 6 LYS HD2 . 16247 1 60 . 1 1 6 6 LYS HD3 H 1 1.535 0.020 . 1 . . . . 6 LYS HD3 . 16247 1 61 . 1 1 6 6 LYS HE2 H 1 3.03 0.020 . 1 . . . . 6 LYS HE2 . 16247 1 62 . 1 1 6 6 LYS HE3 H 1 3.03 0.020 . 1 . . . . 6 LYS HE3 . 16247 1 63 . 1 1 6 6 LYS HG2 H 1 1.484 0.020 . 1 . . . . 6 LYS HG2 . 16247 1 64 . 1 1 6 6 LYS HG3 H 1 1.484 0.020 . 1 . . . . 6 LYS HG3 . 16247 1 65 . 1 1 6 6 LYS C C 13 178.454 0.400 . 1 . . . . 6 LYS C . 16247 1 66 . 1 1 6 6 LYS CA C 13 57.701 0.400 . 1 . . . . 6 LYS CA . 16247 1 67 . 1 1 6 6 LYS CB C 13 32.786 0.400 . 1 . . . . 6 LYS CB . 16247 1 68 . 1 1 6 6 LYS CD C 13 29.304 0.400 . 1 . . . . 6 LYS CD . 16247 1 69 . 1 1 6 6 LYS CE C 13 42.143 0.400 . 1 . . . . 6 LYS CE . 16247 1 70 . 1 1 6 6 LYS CG C 13 24.958 0.400 . 1 . . . . 6 LYS CG . 16247 1 71 . 1 1 6 6 LYS N N 15 122.313 0.400 . 1 . . . . 6 LYS N . 16247 1 72 . 1 1 7 7 ARG H H 1 8.286 0.020 . 1 . . . . 7 ARG H . 16247 1 73 . 1 1 7 7 ARG HA H 1 4.302 0.020 . 1 . . . . 7 ARG HA . 16247 1 74 . 1 1 7 7 ARG HB2 H 1 2.08 0.020 . 1 . . . . 7 ARG HB2 . 16247 1 75 . 1 1 7 7 ARG HB3 H 1 1.94 0.020 . 1 . . . . 7 ARG HB3 . 16247 1 76 . 1 1 7 7 ARG HG2 H 1 1.737 0.020 . 1 . . . . 7 ARG HG2 . 16247 1 77 . 1 1 7 7 ARG HG3 H 1 1.737 0.020 . 1 . . . . 7 ARG HG3 . 16247 1 78 . 1 1 7 7 ARG C C 13 177.255 0.400 . 1 . . . . 7 ARG C . 16247 1 79 . 1 1 7 7 ARG CA C 13 57.082 0.400 . 1 . . . . 7 ARG CA . 16247 1 80 . 1 1 7 7 ARG CB C 13 30.301 0.400 . 1 . . . . 7 ARG CB . 16247 1 81 . 1 1 7 7 ARG CD C 13 43.303 0.400 . 1 . . . . 7 ARG CD . 16247 1 82 . 1 1 7 7 ARG CG C 13 27.206 0.400 . 1 . . . . 7 ARG CG . 16247 1 83 . 1 1 7 7 ARG N N 15 121.287 0.400 . 1 . . . . 7 ARG N . 16247 1 84 . 1 1 8 8 GLN H H 1 8.441 0.020 . 1 . . . . 8 GLN H . 16247 1 85 . 1 1 8 8 GLN CA C 13 57.14 0.400 . 1 . . . . 8 GLN CA . 16247 1 86 . 1 1 8 8 GLN CB C 13 30.176 0.400 . 1 . . . . 8 GLN CB . 16247 1 87 . 1 1 8 8 GLN N N 15 120.311 0.400 . 1 . . . . 8 GLN N . 16247 1 88 . 1 1 9 9 LYS HA H 1 4.232 0.020 . 1 . . . . 9 LYS HA . 16247 1 89 . 1 1 9 9 LYS HB2 H 1 1.877 0.020 . 1 . . . . 9 LYS HB2 . 16247 1 90 . 1 1 9 9 LYS HB3 H 1 1.712 0.020 . 1 . . . . 9 LYS HB3 . 16247 1 91 . 1 1 9 9 LYS HD2 H 1 1.535 0.020 . 1 . . . . 9 LYS HD2 . 16247 1 92 . 1 1 9 9 LYS HD3 H 1 1.535 0.020 . 1 . . . . 9 LYS HD3 . 16247 1 93 . 1 1 9 9 LYS HE2 H 1 3.051 0.020 . 1 . . . . 9 LYS HE2 . 16247 1 94 . 1 1 9 9 LYS HE3 H 1 3.051 0.020 . 1 . . . . 9 LYS HE3 . 16247 1 95 . 1 1 9 9 LYS HG2 H 1 1.493 0.020 . 1 . . . . 9 LYS HG2 . 16247 1 96 . 1 1 9 9 LYS HG3 H 1 1.493 0.020 . 1 . . . . 9 LYS HG3 . 16247 1 97 . 1 1 9 9 LYS CA C 13 57.82 0.400 . 1 . . . . 9 LYS CA . 16247 1 98 . 1 1 9 9 LYS CB C 13 32.862 0.400 . 1 . . . . 9 LYS CB . 16247 1 99 . 1 1 9 9 LYS CD C 13 28.824 0.400 . 1 . . . . 9 LYS CD . 16247 1 100 . 1 1 9 9 LYS CE C 13 44.17 0.400 . 1 . . . . 9 LYS CE . 16247 1 101 . 1 1 9 9 LYS CG C 13 23.596 0.400 . 1 . . . . 9 LYS CG . 16247 1 102 . 1 1 10 10 GLU H H 1 8.354 0.020 . 1 . . . . 10 GLU H . 16247 1 103 . 1 1 10 10 GLU HA H 1 4.245 0.020 . 1 . . . . 10 GLU HA . 16247 1 104 . 1 1 10 10 GLU HB2 H 1 2.302 0.020 . 1 . . . . 10 GLU HB2 . 16247 1 105 . 1 1 10 10 GLU HB3 H 1 2.302 0.020 . 1 . . . . 10 GLU HB3 . 16247 1 106 . 1 1 10 10 GLU HE2 H 1 2.727 0.020 . 1 . . . . 10 GLU HE2 . 16247 1 107 . 1 1 10 10 GLU HG2 H 1 2.396 0.020 . 1 . . . . 10 GLU HG2 . 16247 1 108 . 1 1 10 10 GLU HG3 H 1 2.396 0.020 . 1 . . . . 10 GLU HG3 . 16247 1 109 . 1 1 10 10 GLU C C 13 178.22 0.400 . 1 . . . . 10 GLU C . 16247 1 110 . 1 1 10 10 GLU CA C 13 57.837 0.400 . 1 . . . . 10 GLU CA . 16247 1 111 . 1 1 10 10 GLU CB C 13 29.839 0.400 . 1 . . . . 10 GLU CB . 16247 1 112 . 1 1 10 10 GLU CG C 13 36.422 0.400 . 1 . . . . 10 GLU CG . 16247 1 113 . 1 1 10 10 GLU N N 15 121.036 0.400 . 1 . . . . 10 GLU N . 16247 1 114 . 1 1 11 11 ILE H H 1 8.257 0.020 . 1 . . . . 11 ILE H . 16247 1 115 . 1 1 11 11 ILE HA H 1 4.025 0.020 . 1 . . . . 11 ILE HA . 16247 1 116 . 1 1 11 11 ILE HB H 1 1.901 0.020 . 1 . . . . 11 ILE HB . 16247 1 117 . 1 1 11 11 ILE HD11 H 1 0.93 0.020 . 1 . . . . 11 ILE MD . 16247 1 118 . 1 1 11 11 ILE HD12 H 1 0.93 0.020 . 1 . . . . 11 ILE MD . 16247 1 119 . 1 1 11 11 ILE HD13 H 1 0.93 0.020 . 1 . . . . 11 ILE MD . 16247 1 120 . 1 1 11 11 ILE HG12 H 1 1.648 0.020 . 1 . . . . 11 ILE HG12 . 16247 1 121 . 1 1 11 11 ILE HG13 H 1 1.192 0.020 . 1 . . . . 11 ILE HG13 . 16247 1 122 . 1 1 11 11 ILE C C 13 177.395 0.400 . 1 . . . . 11 ILE C . 16247 1 123 . 1 1 11 11 ILE CA C 13 62.538 0.400 . 1 . . . . 11 ILE CA . 16247 1 124 . 1 1 11 11 ILE CB C 13 38.434 0.400 . 1 . . . . 11 ILE CB . 16247 1 125 . 1 1 11 11 ILE CD1 C 13 13.057 0.400 . 1 . . . . 11 ILE CD1 . 16247 1 126 . 1 1 11 11 ILE CG1 C 13 27.98 0.400 . 1 . . . . 11 ILE CG1 . 16247 1 127 . 1 1 11 11 ILE CG2 C 13 17.208 0.400 . 1 . . . . 11 ILE CG2 . 16247 1 128 . 1 1 11 11 ILE N N 15 121.653 0.400 . 1 . . . . 11 ILE N . 16247 1 129 . 1 1 12 12 ALA H H 1 8.371 0.020 . 1 . . . . 12 ALA H . 16247 1 130 . 1 1 12 12 ALA HA H 1 4.26 0.020 . 1 . . . . 12 ALA HA . 16247 1 131 . 1 1 12 12 ALA HB1 H 1 1.485 0.020 . 1 . . . . 12 ALA MB . 16247 1 132 . 1 1 12 12 ALA HB2 H 1 1.485 0.020 . 1 . . . . 12 ALA MB . 16247 1 133 . 1 1 12 12 ALA HB3 H 1 1.485 0.020 . 1 . . . . 12 ALA MB . 16247 1 134 . 1 1 12 12 ALA C C 13 178.875 0.400 . 1 . . . . 12 ALA C . 16247 1 135 . 1 1 12 12 ALA CA C 13 53.762 0.400 . 1 . . . . 12 ALA CA . 16247 1 136 . 1 1 12 12 ALA CB C 13 18.717 0.400 . 1 . . . . 12 ALA CB . 16247 1 137 . 1 1 12 12 ALA N N 15 126.518 0.400 . 1 . . . . 12 ALA N . 16247 1 138 . 1 1 13 13 ASP H H 1 8.608 0.020 . 1 . . . . 13 ASP H . 16247 1 139 . 1 1 13 13 ASP HA H 1 4.546 0.020 . 1 . . . . 13 ASP HA . 16247 1 140 . 1 1 13 13 ASP HB2 H 1 2.74 0.020 . 1 . . . . 13 ASP HB2 . 16247 1 141 . 1 1 13 13 ASP HB3 H 1 2.728 0.020 . 1 . . . . 13 ASP HB3 . 16247 1 142 . 1 1 13 13 ASP C C 13 177.863 0.400 . 1 . . . . 13 ASP C . 16247 1 143 . 1 1 13 13 ASP CA C 13 55.465 0.400 . 1 . . . . 13 ASP CA . 16247 1 144 . 1 1 13 13 ASP CB C 13 40.73 0.400 . 1 . . . . 13 ASP CB . 16247 1 145 . 1 1 13 13 ASP N N 15 119.841 0.400 . 1 . . . . 13 ASP N . 16247 1 146 . 1 1 14 14 GLY H H 1 8.293 0.020 . 1 . . . . 14 GLY H . 16247 1 147 . 1 1 14 14 GLY HA2 H 1 3.998 0.020 . 1 . . . . 14 GLY HA2 . 16247 1 148 . 1 1 14 14 GLY HA3 H 1 3.998 0.020 . 1 . . . . 14 GLY HA3 . 16247 1 149 . 1 1 14 14 GLY C C 13 172.618 0.400 . 1 . . . . 14 GLY C . 16247 1 150 . 1 1 14 14 GLY CA C 13 43.412 0.400 . 1 . . . . 14 GLY CA . 16247 1 151 . 1 1 14 14 GLY N N 15 109.075 0.020 . 1 . . . . 14 GLY N . 16247 1 152 . 1 1 15 15 LEU H H 1 8.119 0.020 . 1 . . . . 15 LEU H . 16247 1 153 . 1 1 15 15 LEU HA H 1 4.29 0.020 . 1 . . . . 15 LEU HA . 16247 1 154 . 1 1 15 15 LEU HB2 H 1 1.721 0.020 . 1 . . . . 15 LEU HB2 . 16247 1 155 . 1 1 15 15 LEU HB3 H 1 1.542 0.020 . 1 . . . . 15 LEU HB3 . 16247 1 156 . 1 1 15 15 LEU HD11 H 1 0.946 0.020 . 1 . . . . 15 LEU MD1 . 16247 1 157 . 1 1 15 15 LEU HD12 H 1 0.946 0.020 . 1 . . . . 15 LEU MD1 . 16247 1 158 . 1 1 15 15 LEU HD13 H 1 0.946 0.020 . 1 . . . . 15 LEU MD1 . 16247 1 159 . 1 1 15 15 LEU HD21 H 1 0.946 0.020 . 1 . . . . 15 LEU MD2 . 16247 1 160 . 1 1 15 15 LEU HD22 H 1 0.946 0.020 . 1 . . . . 15 LEU MD2 . 16247 1 161 . 1 1 15 15 LEU HD23 H 1 0.946 0.020 . 1 . . . . 15 LEU MD2 . 16247 1 162 . 1 1 15 15 LEU HG H 1 1.645 0.020 . 1 . . . . 15 LEU HG . 16247 1 163 . 1 1 15 15 LEU C C 13 178.215 0.400 . 1 . . . . 15 LEU C . 16247 1 164 . 1 1 15 15 LEU CA C 13 56.113 0.400 . 1 . . . . 15 LEU CA . 16247 1 165 . 1 1 15 15 LEU CB C 13 42.109 0.400 . 1 . . . . 15 LEU CB . 16247 1 166 . 1 1 15 15 LEU CD1 C 13 25.071 0.400 . 1 . . . . 15 LEU CD1 . 16247 1 167 . 1 1 15 15 LEU CD2 C 13 23.397 0.400 . 1 . . . . 15 LEU CD2 . 16247 1 168 . 1 1 15 15 LEU CG C 13 26.863 0.400 . 1 . . . . 15 LEU CG . 16247 1 169 . 1 1 15 15 LEU N N 15 122.115 0.400 . 1 . . . . 15 LEU N . 16247 1 170 . 1 1 16 16 ALA H H 1 8.293 0.020 . 1 . . . . 16 ALA H . 16247 1 171 . 1 1 16 16 ALA HA H 1 4.315 0.020 . 1 . . . . 16 ALA HA . 16247 1 172 . 1 1 16 16 ALA HB1 H 1 1.462 0.020 . 1 . . . . 16 ALA MB . 16247 1 173 . 1 1 16 16 ALA HB2 H 1 1.462 0.020 . 1 . . . . 16 ALA MB . 16247 1 174 . 1 1 16 16 ALA HB3 H 1 1.462 0.020 . 1 . . . . 16 ALA MB . 16247 1 175 . 1 1 16 16 ALA C C 13 178.847 0.400 . 1 . . . . 16 ALA C . 16247 1 176 . 1 1 16 16 ALA CA C 13 53.23 0.400 . 1 . . . . 16 ALA CA . 16247 1 177 . 1 1 16 16 ALA CB C 13 18.769 0.400 . 1 . . . . 16 ALA CB . 16247 1 178 . 1 1 16 16 ALA N N 15 123.673 0.400 . 1 . . . . 16 ALA N . 16247 1 179 . 1 1 17 17 SER H H 1 8.294 0.020 . 1 . . . . 17 SER H . 16247 1 180 . 1 1 17 17 SER HA H 1 4.405 0.020 . 1 . . . . 17 SER HA . 16247 1 181 . 1 1 17 17 SER HB2 H 1 3.973 0.020 . 1 . . . . 17 SER HB2 . 16247 1 182 . 1 1 17 17 SER HB3 H 1 3.973 0.020 . 1 . . . . 17 SER HB3 . 16247 1 183 . 1 1 17 17 SER C C 13 175.446 0.400 . 1 . . . . 17 SER C . 16247 1 184 . 1 1 17 17 SER CA C 13 59.398 0.400 . 1 . . . . 17 SER CA . 16247 1 185 . 1 1 17 17 SER CB C 13 63.46 0.400 . 1 . . . . 17 SER CB . 16247 1 186 . 1 1 17 17 SER N N 15 114.615 0.400 . 1 . . . . 17 SER N . 16247 1 187 . 1 1 18 18 ALA H H 1 8.308 0.020 . 1 . . . . 18 ALA H . 16247 1 188 . 1 1 18 18 ALA HA H 1 4.325 0.020 . 1 . . . . 18 ALA HA . 16247 1 189 . 1 1 18 18 ALA HB1 H 1 1.492 0.020 . 1 . . . . 18 ALA MB . 16247 1 190 . 1 1 18 18 ALA HB2 H 1 1.492 0.020 . 1 . . . . 18 ALA MB . 16247 1 191 . 1 1 18 18 ALA HB3 H 1 1.492 0.020 . 1 . . . . 18 ALA MB . 16247 1 192 . 1 1 18 18 ALA C C 13 178.476 0.400 . 1 . . . . 18 ALA C . 16247 1 193 . 1 1 18 18 ALA CA C 13 53.528 0.400 . 1 . . . . 18 ALA CA . 16247 1 194 . 1 1 18 18 ALA CB C 13 18.753 0.400 . 1 . . . . 18 ALA CB . 16247 1 195 . 1 1 18 18 ALA N N 15 125.71 0.400 . 1 . . . . 18 ALA N . 16247 1 196 . 1 1 19 19 GLU H H 1 8.29 0.020 . 1 . . . . 19 GLU H . 16247 1 197 . 1 1 19 19 GLU HA H 1 4.237 0.020 . 1 . . . . 19 GLU HA . 16247 1 198 . 1 1 19 19 GLU HB2 H 1 2.358 0.020 . 1 . . . . 19 GLU HB2 . 16247 1 199 . 1 1 19 19 GLU HB3 H 1 2.303 0.020 . 1 . . . . 19 GLU HB3 . 16247 1 200 . 1 1 19 19 GLU HG2 H 1 2.347 0.020 . 1 . . . . 19 GLU HG2 . 16247 1 201 . 1 1 19 19 GLU HG3 H 1 2.347 0.020 . 1 . . . . 19 GLU HG3 . 16247 1 202 . 1 1 19 19 GLU C C 13 177.358 0.400 . 1 . . . . 19 GLU C . 16247 1 203 . 1 1 19 19 GLU CA C 13 57.447 0.400 . 1 . . . . 19 GLU CA . 16247 1 204 . 1 1 19 19 GLU CB C 13 29.866 0.400 . 1 . . . . 19 GLU CB . 16247 1 205 . 1 1 19 19 GLU CG C 13 36.326 0.400 . 1 . . . . 19 GLU CG . 16247 1 206 . 1 1 19 19 GLU N N 15 119.387 0.400 . 1 . . . . 19 GLU N . 16247 1 207 . 1 1 20 20 ARG H H 1 8.214 0.020 . 1 . . . . 20 ARG H . 16247 1 208 . 1 1 20 20 ARG HA H 1 4.244 0.020 . 1 . . . . 20 ARG HA . 16247 1 209 . 1 1 20 20 ARG HB2 H 1 1.85 0.020 . 1 . . . . 20 ARG HB2 . 16247 1 210 . 1 1 20 20 ARG HB3 H 1 1.85 0.020 . 1 . . . . 20 ARG HB3 . 16247 1 211 . 1 1 20 20 ARG HD2 H 1 3.205 0.020 . 1 . . . . 20 ARG HD2 . 16247 1 212 . 1 1 20 20 ARG HD3 H 1 3.205 0.020 . 1 . . . . 20 ARG HD3 . 16247 1 213 . 1 1 20 20 ARG HG2 H 1 1.695 0.020 . 1 . . . . 20 ARG HG2 . 16247 1 214 . 1 1 20 20 ARG HG3 H 1 1.695 0.020 . 1 . . . . 20 ARG HG3 . 16247 1 215 . 1 1 20 20 ARG C C 13 176.546 0.400 . 1 . . . . 20 ARG C . 16247 1 216 . 1 1 20 20 ARG CA C 13 56.895 0.400 . 1 . . . . 20 ARG CA . 16247 1 217 . 1 1 20 20 ARG CB C 13 30.596 0.400 . 1 . . . . 20 ARG CB . 16247 1 218 . 1 1 20 20 ARG CD C 13 43.361 0.400 . 1 . . . . 20 ARG CD . 16247 1 219 . 1 1 20 20 ARG CG C 13 27.332 0.400 . 1 . . . . 20 ARG CG . 16247 1 220 . 1 1 20 20 ARG N N 15 121.283 0.400 . 1 . . . . 20 ARG N . 16247 1 221 . 1 1 21 21 ALA H H 1 8.247 0.020 . 1 . . . . 21 ALA H . 16247 1 222 . 1 1 21 21 ALA HA H 1 4.279 0.020 . 1 . . . . 21 ALA HA . 16247 1 223 . 1 1 21 21 ALA HB1 H 1 1.422 0.020 . 1 . . . . 21 ALA MB . 16247 1 224 . 1 1 21 21 ALA HB2 H 1 1.422 0.020 . 1 . . . . 21 ALA MB . 16247 1 225 . 1 1 21 21 ALA HB3 H 1 1.422 0.020 . 1 . . . . 21 ALA MB . 16247 1 226 . 1 1 21 21 ALA C C 13 178.212 0.400 . 1 . . . . 21 ALA C . 16247 1 227 . 1 1 21 21 ALA CA C 13 53.059 0.400 . 1 . . . . 21 ALA CA . 16247 1 228 . 1 1 21 21 ALA CB C 13 18.827 0.400 . 1 . . . . 21 ALA CB . 16247 1 229 . 1 1 21 21 ALA N N 15 123.697 0.400 . 1 . . . . 21 ALA N . 16247 1 230 . 1 1 22 22 HIS H H 1 8.352 0.020 . 1 . . . . 22 HIS H . 16247 1 231 . 1 1 22 22 HIS HA H 1 4.212 0.020 . 1 . . . . 22 HIS HA . 16247 1 232 . 1 1 22 22 HIS HB2 H 1 3.232 0.020 . 1 . . . . 22 HIS HB2 . 16247 1 233 . 1 1 22 22 HIS HB3 H 1 3.232 0.020 . 1 . . . . 22 HIS HB3 . 16247 1 234 . 1 1 22 22 HIS C C 13 177.321 0.400 . 1 . . . . 22 HIS C . 16247 1 235 . 1 1 22 22 HIS CA C 13 56.652 0.400 . 1 . . . . 22 HIS CA . 16247 1 236 . 1 1 22 22 HIS CB C 13 29.845 0.400 . 1 . . . . 22 HIS CB . 16247 1 237 . 1 1 22 22 HIS N N 15 118.28 0.400 . 1 . . . . 22 HIS N . 16247 1 238 . 1 1 23 23 LYS H H 1 8.336 0.020 . 1 . . . . 23 LYS H . 16247 1 239 . 1 1 23 23 LYS HA H 1 4.294 0.020 . 1 . . . . 23 LYS HA . 16247 1 240 . 1 1 23 23 LYS HB2 H 1 1.854 0.020 . 1 . . . . 23 LYS HB2 . 16247 1 241 . 1 1 23 23 LYS HB3 H 1 1.854 0.020 . 1 . . . . 23 LYS HB3 . 16247 1 242 . 1 1 23 23 LYS HD2 H 1 1.726 0.020 . 1 . . . . 23 LYS HD2 . 16247 1 243 . 1 1 23 23 LYS HD3 H 1 1.726 0.020 . 1 . . . . 23 LYS HD3 . 16247 1 244 . 1 1 23 23 LYS HE2 H 1 3.03 0.020 . 1 . . . . 23 LYS HE2 . 16247 1 245 . 1 1 23 23 LYS HE3 H 1 3.03 0.020 . 1 . . . . 23 LYS HE3 . 16247 1 246 . 1 1 23 23 LYS HG2 H 1 1.461 0.020 . 1 . . . . 23 LYS HG2 . 16247 1 247 . 1 1 23 23 LYS HG3 H 1 1.461 0.020 . 1 . . . . 23 LYS HG3 . 16247 1 248 . 1 1 23 23 LYS C C 13 176.7 0.400 . 1 . . . . 23 LYS C . 16247 1 249 . 1 1 23 23 LYS CA C 13 57 0.400 . 1 . . . . 23 LYS CA . 16247 1 250 . 1 1 23 23 LYS CB C 13 32.797 0.400 . 1 . . . . 23 LYS CB . 16247 1 251 . 1 1 23 23 LYS CD C 13 29.081 0.400 . 1 . . . . 23 LYS CD . 16247 1 252 . 1 1 23 23 LYS CE C 13 42.095 0.400 . 1 . . . . 23 LYS CE . 16247 1 253 . 1 1 23 23 LYS CG C 13 24.692 0.400 . 1 . . . . 23 LYS CG . 16247 1 254 . 1 1 23 23 LYS N N 15 122.37 0.400 . 1 . . . . 23 LYS N . 16247 1 255 . 1 1 24 24 ASP H H 1 8.537 0.020 . 1 . . . . 24 ASP H . 16247 1 256 . 1 1 24 24 ASP HA H 1 4.581 0.020 . 1 . . . . 24 ASP HA . 16247 1 257 . 1 1 24 24 ASP HB2 H 1 2.811 0.020 . 1 . . . . 24 ASP HB2 . 16247 1 258 . 1 1 24 24 ASP HB3 H 1 2.693 0.020 . 1 . . . . 24 ASP HB3 . 16247 1 259 . 1 1 24 24 ASP C C 13 176.941 0.400 . 1 . . . . 24 ASP C . 16247 1 260 . 1 1 24 24 ASP CA C 13 55.069 0.400 . 1 . . . . 24 ASP CA . 16247 1 261 . 1 1 24 24 ASP CB C 13 40.789 0.400 . 1 . . . . 24 ASP CB . 16247 1 262 . 1 1 24 24 ASP N N 15 121.152 0.400 . 1 . . . . 24 ASP N . 16247 1 263 . 1 1 25 25 LEU H H 1 8.215 0.020 . 1 . . . . 25 LEU H . 16247 1 264 . 1 1 25 25 LEU HA H 1 4.29 0.020 . 1 . . . . 25 LEU HA . 16247 1 265 . 1 1 25 25 LEU HB2 H 1 1.688 0.020 . 1 . . . . 25 LEU HB2 . 16247 1 266 . 1 1 25 25 LEU HB3 H 1 1.522 0.020 . 1 . . . . 25 LEU HB3 . 16247 1 267 . 1 1 25 25 LEU HD11 H 1 0.954 0.020 . 1 . . . . 25 LEU MD1 . 16247 1 268 . 1 1 25 25 LEU HD12 H 1 0.954 0.020 . 1 . . . . 25 LEU MD1 . 16247 1 269 . 1 1 25 25 LEU HD13 H 1 0.954 0.020 . 1 . . . . 25 LEU MD1 . 16247 1 270 . 1 1 25 25 LEU HD21 H 1 0.954 0.020 . 1 . . . . 25 LEU MD2 . 16247 1 271 . 1 1 25 25 LEU HD22 H 1 0.954 0.020 . 1 . . . . 25 LEU MD2 . 16247 1 272 . 1 1 25 25 LEU HD23 H 1 0.954 0.020 . 1 . . . . 25 LEU MD2 . 16247 1 273 . 1 1 25 25 LEU CA C 13 56.176 0.400 . 1 . . . . 25 LEU CA . 16247 1 274 . 1 1 25 25 LEU CB C 13 42.175 0.400 . 1 . . . . 25 LEU CB . 16247 1 275 . 1 1 25 25 LEU CD1 C 13 24.901 0.400 . 1 . . . . 25 LEU CD1 . 16247 1 276 . 1 1 25 25 LEU CD2 C 13 24.901 0.400 . 1 . . . . 25 LEU CD2 . 16247 1 277 . 1 1 25 25 LEU CG C 13 27.114 0.400 . 1 . . . . 25 LEU CG . 16247 1 278 . 1 1 25 25 LEU N N 15 122.648 0.400 . 1 . . . . 25 LEU N . 16247 1 279 . 1 1 26 26 ASP H H 1 8.363 0.020 . 1 . . . . 26 ASP H . 16247 1 280 . 1 1 26 26 ASP HA H 1 4.577 0.020 . 1 . . . . 26 ASP HA . 16247 1 281 . 1 1 26 26 ASP HB2 H 1 2.776 0.020 . 1 . . . . 26 ASP HB2 . 16247 1 282 . 1 1 26 26 ASP HB3 H 1 2.694 0.020 . 1 . . . . 26 ASP HB3 . 16247 1 283 . 1 1 26 26 ASP C C 13 177.284 0.400 . 1 . . . . 26 ASP C . 16247 1 284 . 1 1 26 26 ASP CA C 13 54.971 0.400 . 1 . . . . 26 ASP CA . 16247 1 285 . 1 1 26 26 ASP CB C 13 40.708 0.400 . 1 . . . . 26 ASP CB . 16247 1 286 . 1 1 26 26 ASP N N 15 121.04 0.400 . 1 . . . . 26 ASP N . 16247 1 287 . 1 1 27 27 LEU H H 1 8.228 0.020 . 1 . . . . 27 LEU H . 16247 1 288 . 1 1 27 27 LEU HA H 1 4.309 0.020 . 1 . . . . 27 LEU HA . 16247 1 289 . 1 1 27 27 LEU HB2 H 1 1.674 0.020 . 1 . . . . 27 LEU HB2 . 16247 1 290 . 1 1 27 27 LEU HB3 H 1 1.674 0.020 . 1 . . . . 27 LEU HB3 . 16247 1 291 . 1 1 27 27 LEU HD11 H 1 0.954 0.020 . 1 . . . . 27 LEU MD1 . 16247 1 292 . 1 1 27 27 LEU HD12 H 1 0.954 0.020 . 1 . . . . 27 LEU MD1 . 16247 1 293 . 1 1 27 27 LEU HD13 H 1 0.954 0.020 . 1 . . . . 27 LEU MD1 . 16247 1 294 . 1 1 27 27 LEU HD21 H 1 0.954 0.020 . 1 . . . . 27 LEU MD2 . 16247 1 295 . 1 1 27 27 LEU HD22 H 1 0.954 0.020 . 1 . . . . 27 LEU MD2 . 16247 1 296 . 1 1 27 27 LEU HD23 H 1 0.954 0.020 . 1 . . . . 27 LEU MD2 . 16247 1 297 . 1 1 27 27 LEU C C 13 178.228 0.400 . 1 . . . . 27 LEU C . 16247 1 298 . 1 1 27 27 LEU CA C 13 56.235 0.400 . 1 . . . . 27 LEU CA . 16247 1 299 . 1 1 27 27 LEU CB C 13 42.08 0.400 . 1 . . . . 27 LEU CB . 16247 1 300 . 1 1 27 27 LEU CD1 C 13 24.895 0.400 . 1 . . . . 27 LEU CD1 . 16247 1 301 . 1 1 27 27 LEU CD2 C 13 23.429 0.400 . 1 . . . . 27 LEU CD2 . 16247 1 302 . 1 1 27 27 LEU CG C 13 26.945 0.400 . 1 . . . . 27 LEU CG . 16247 1 303 . 1 1 27 27 LEU N N 15 122.902 0.400 . 1 . . . . 27 LEU N . 16247 1 304 . 1 1 28 28 ALA H H 1 8.226 0.020 . 1 . . . . 28 ALA H . 16247 1 305 . 1 1 28 28 ALA HA H 1 4.313 0.020 . 1 . . . . 28 ALA HA . 16247 1 306 . 1 1 28 28 ALA HB1 H 1 1.497 0.020 . 1 . . . . 28 ALA MB . 16247 1 307 . 1 1 28 28 ALA HB2 H 1 1.497 0.020 . 1 . . . . 28 ALA MB . 16247 1 308 . 1 1 28 28 ALA HB3 H 1 1.497 0.020 . 1 . . . . 28 ALA MB . 16247 1 309 . 1 1 28 28 ALA C C 13 178.768 0.400 . 1 . . . . 28 ALA C . 16247 1 310 . 1 1 28 28 ALA CA C 13 50.751 0.400 . 1 . . . . 28 ALA CA . 16247 1 311 . 1 1 28 28 ALA CB C 13 15.973 0.400 . 1 . . . . 28 ALA CB . 16247 1 312 . 1 1 28 28 ALA N N 15 123.394 0.400 . 1 . . . . 28 ALA N . 16247 1 313 . 1 1 29 29 LYS H H 1 8.105 0.020 . 1 . . . . 29 LYS H . 16247 1 314 . 1 1 29 29 LYS HA H 1 4.273 0.020 . 1 . . . . 29 LYS HA . 16247 1 315 . 1 1 29 29 LYS HB2 H 1 1.894 0.020 . 1 . . . . 29 LYS HB2 . 16247 1 316 . 1 1 29 29 LYS HB3 H 1 1.752 0.020 . 1 . . . . 29 LYS HB3 . 16247 1 317 . 1 1 29 29 LYS HD2 H 1 1.726 0.020 . 1 . . . . 29 LYS HD2 . 16247 1 318 . 1 1 29 29 LYS HD3 H 1 1.726 0.020 . 1 . . . . 29 LYS HD3 . 16247 1 319 . 1 1 29 29 LYS HG2 H 1 1.547 0.020 . 1 . . . . 29 LYS HG2 . 16247 1 320 . 1 1 29 29 LYS HG3 H 1 1.473 0.020 . 1 . . . . 29 LYS HG3 . 16247 1 321 . 1 1 29 29 LYS C C 13 177.235 0.400 . 1 . . . . 29 LYS C . 16247 1 322 . 1 1 29 29 LYS CA C 13 56.975 0.400 . 1 . . . . 29 LYS CA . 16247 1 323 . 1 1 29 29 LYS CB C 13 32.809 0.400 . 1 . . . . 29 LYS CB . 16247 1 324 . 1 1 29 29 LYS CD C 13 29.076 0.400 . 1 . . . . 29 LYS CD . 16247 1 325 . 1 1 29 29 LYS CE C 13 42.123 0.400 . 1 . . . . 29 LYS CE . 16247 1 326 . 1 1 29 29 LYS CG C 13 24.911 0.400 . 1 . . . . 29 LYS CG . 16247 1 327 . 1 1 29 29 LYS N N 15 119.798 0.400 . 1 . . . . 29 LYS N . 16247 1 328 . 1 1 30 30 ALA H H 1 8.256 0.020 . 1 . . . . 30 ALA H . 16247 1 329 . 1 1 30 30 ALA HA H 1 4.333 0.020 . 1 . . . . 30 ALA HA . 16247 1 330 . 1 1 30 30 ALA HB1 H 1 1.473 0.020 . 1 . . . . 30 ALA MB . 16247 1 331 . 1 1 30 30 ALA HB2 H 1 1.473 0.020 . 1 . . . . 30 ALA MB . 16247 1 332 . 1 1 30 30 ALA HB3 H 1 1.473 0.020 . 1 . . . . 30 ALA MB . 16247 1 333 . 1 1 30 30 ALA C C 13 178.374 0.400 . 1 . . . . 30 ALA C . 16247 1 334 . 1 1 30 30 ALA CA C 13 53.121 0.400 . 1 . . . . 30 ALA CA . 16247 1 335 . 1 1 30 30 ALA CB C 13 18.978 0.400 . 1 . . . . 30 ALA CB . 16247 1 336 . 1 1 30 30 ALA N N 15 124.377 0.400 . 1 . . . . 30 ALA N . 16247 1 337 . 1 1 31 31 SER H H 1 8.404 0.020 . 1 . . . . 31 SER H . 16247 1 338 . 1 1 31 31 SER HA H 1 4.484 0.020 . 1 . . . . 31 SER HA . 16247 1 339 . 1 1 31 31 SER HB2 H 1 3.973 0.020 . 1 . . . . 31 SER HB2 . 16247 1 340 . 1 1 31 31 SER HB3 H 1 3.967 0.020 . 1 . . . . 31 SER HB3 . 16247 1 341 . 1 1 31 31 SER C C 13 175.05 0.400 . 1 . . . . 31 SER C . 16247 1 342 . 1 1 31 31 SER CA C 13 58.756 0.400 . 1 . . . . 31 SER CA . 16247 1 343 . 1 1 31 31 SER CB C 13 63.797 0.400 . 1 . . . . 31 SER CB . 16247 1 344 . 1 1 31 31 SER N N 15 114.933 0.400 . 1 . . . . 31 SER N . 16247 1 345 . 1 1 32 32 ALA H H 1 8.419 0.020 . 1 . . . . 32 ALA H . 16247 1 346 . 1 1 32 32 ALA HA H 1 4.414 0.020 . 1 . . . . 32 ALA HA . 16247 1 347 . 1 1 32 32 ALA HB1 H 1 1.526 0.020 . 1 . . . . 32 ALA MB . 16247 1 348 . 1 1 32 32 ALA HB2 H 1 1.526 0.020 . 1 . . . . 32 ALA MB . 16247 1 349 . 1 1 32 32 ALA HB3 H 1 1.526 0.020 . 1 . . . . 32 ALA MB . 16247 1 350 . 1 1 32 32 ALA C C 13 178.933 0.400 . 1 . . . . 32 ALA C . 16247 1 351 . 1 1 32 32 ALA CA C 13 53.555 0.400 . 1 . . . . 32 ALA CA . 16247 1 352 . 1 1 32 32 ALA CB C 13 18.785 0.400 . 1 . . . . 32 ALA CB . 16247 1 353 . 1 1 32 32 ALA N N 15 125.821 0.400 . 1 . . . . 32 ALA N . 16247 1 354 . 1 1 33 33 THR H H 1 8.216 0.020 . 1 . . . . 33 THR H . 16247 1 355 . 1 1 33 33 THR HA H 1 4.364 0.020 . 1 . . . . 33 THR HA . 16247 1 356 . 1 1 33 33 THR HB H 1 4.27 0.020 . 1 . . . . 33 THR HB . 16247 1 357 . 1 1 33 33 THR HG21 H 1 1.272 0.020 . 1 . . . . 33 THR HG1 . 16247 1 358 . 1 1 33 33 THR HG22 H 1 1.272 0.020 . 1 . . . . 33 THR HG1 . 16247 1 359 . 1 1 33 33 THR HG23 H 1 1.272 0.020 . 1 . . . . 33 THR HG1 . 16247 1 360 . 1 1 33 33 THR C C 13 175.345 0.400 . 1 . . . . 33 THR C . 16247 1 361 . 1 1 33 33 THR CA C 13 63.424 0.400 . 1 . . . . 33 THR CA . 16247 1 362 . 1 1 33 33 THR CB C 13 69.432 0.400 . 1 . . . . 33 THR CB . 16247 1 363 . 1 1 33 33 THR N N 15 112.98 0.400 . 1 . . . . 33 THR N . 16247 1 364 . 1 1 34 34 ASP H H 1 8.332 0.020 . 1 . . . . 34 ASP H . 16247 1 365 . 1 1 34 34 ASP HA H 1 4.56 0.020 . 1 . . . . 34 ASP HA . 16247 1 366 . 1 1 34 34 ASP HB2 H 1 2.74 0.020 . 1 . . . . 34 ASP HB2 . 16247 1 367 . 1 1 34 34 ASP HB3 H 1 2.744 0.020 . 1 . . . . 34 ASP HB3 . 16247 1 368 . 1 1 34 34 ASP C C 13 177.331 0.400 . 1 . . . . 34 ASP C . 16247 1 369 . 1 1 34 34 ASP CA C 13 55.611 0.400 . 1 . . . . 34 ASP CA . 16247 1 370 . 1 1 34 34 ASP CB C 13 40.819 0.400 . 1 . . . . 34 ASP CB . 16247 1 371 . 1 1 34 34 ASP N N 15 122.777 0.400 . 1 . . . . 34 ASP N . 16247 1 372 . 1 1 35 35 GLN H H 1 8.376 0.020 . 1 . . . . 35 GLN H . 16247 1 373 . 1 1 35 35 GLN HA H 1 4.225 0.020 . 1 . . . . 35 GLN HA . 16247 1 374 . 1 1 35 35 GLN HB2 H 1 2.099 0.020 . 1 . . . . 35 GLN HB2 . 16247 1 375 . 1 1 35 35 GLN HB3 H 1 2.099 0.020 . 1 . . . . 35 GLN HB3 . 16247 1 376 . 1 1 35 35 GLN HG2 H 1 2.472 0.020 . 1 . . . . 35 GLN HG2 . 16247 1 377 . 1 1 35 35 GLN HG3 H 1 2.472 0.020 . 1 . . . . 35 GLN HG3 . 16247 1 378 . 1 1 35 35 GLN C C 13 177.216 0.400 . 1 . . . . 35 GLN C . 16247 1 379 . 1 1 35 35 GLN CA C 13 57.159 0.400 . 1 . . . . 35 GLN CA . 16247 1 380 . 1 1 35 35 GLN CB C 13 28.84 0.400 . 1 . . . . 35 GLN CB . 16247 1 381 . 1 1 35 35 GLN CG C 13 33.895 0.400 . 1 . . . . 35 GLN CG . 16247 1 382 . 1 1 35 35 GLN N N 15 120.161 0.400 . 1 . . . . 35 GLN N . 16247 1 383 . 1 1 36 36 LEU H H 1 8.152 0.020 . 1 . . . . 36 LEU H . 16247 1 384 . 1 1 36 36 LEU HA H 1 4.325 0.020 . 1 . . . . 36 LEU HA . 16247 1 385 . 1 1 36 36 LEU HB2 H 1 1.81 0.020 . 1 . . . . 36 LEU HB2 . 16247 1 386 . 1 1 36 36 LEU HB3 H 1 1.73 0.020 . 1 . . . . 36 LEU HB3 . 16247 1 387 . 1 1 36 36 LEU HD11 H 1 0.964 0.020 . 1 . . . . 36 LEU MD1 . 16247 1 388 . 1 1 36 36 LEU HD12 H 1 0.964 0.020 . 1 . . . . 36 LEU MD1 . 16247 1 389 . 1 1 36 36 LEU HD13 H 1 0.964 0.020 . 1 . . . . 36 LEU MD1 . 16247 1 390 . 1 1 36 36 LEU HD21 H 1 0.964 0.020 . 1 . . . . 36 LEU MD2 . 16247 1 391 . 1 1 36 36 LEU HD22 H 1 0.964 0.020 . 1 . . . . 36 LEU MD2 . 16247 1 392 . 1 1 36 36 LEU HD23 H 1 0.964 0.020 . 1 . . . . 36 LEU MD2 . 16247 1 393 . 1 1 36 36 LEU C C 13 178.245 0.400 . 1 . . . . 36 LEU C . 16247 1 394 . 1 1 36 36 LEU CA C 13 56.382 0.400 . 1 . . . . 36 LEU CA . 16247 1 395 . 1 1 36 36 LEU CB C 13 41.952 0.400 . 1 . . . . 36 LEU CB . 16247 1 396 . 1 1 36 36 LEU CD1 C 13 24.747 0.400 . 1 . . . . 36 LEU CD1 . 16247 1 397 . 1 1 36 36 LEU CD2 C 13 23.556 0.400 . 1 . . . . 36 LEU CD2 . 16247 1 398 . 1 1 36 36 LEU CG C 13 27.071 0.400 . 1 . . . . 36 LEU CG . 16247 1 399 . 1 1 36 36 LEU N N 15 121.719 0.400 . 1 . . . . 36 LEU N . 16247 1 400 . 1 1 37 37 LYS H H 1 8.14 0.020 . 1 . . . . 37 LYS H . 16247 1 401 . 1 1 37 37 LYS HA H 1 4.245 0.020 . 1 . . . . 37 LYS HA . 16247 1 402 . 1 1 37 37 LYS HB2 H 1 1.88 0.020 . 1 . . . . 37 LYS HB2 . 16247 1 403 . 1 1 37 37 LYS HB3 H 1 1.741 0.020 . 1 . . . . 37 LYS HB3 . 16247 1 404 . 1 1 37 37 LYS HD2 H 1 1.564 0.020 . 1 . . . . 37 LYS HD2 . 16247 1 405 . 1 1 37 37 LYS HD3 H 1 1.564 0.020 . 1 . . . . 37 LYS HD3 . 16247 1 406 . 1 1 37 37 LYS HE2 H 1 3.027 0.020 . 1 . . . . 37 LYS HE2 . 16247 1 407 . 1 1 37 37 LYS HE3 H 1 3.027 0.020 . 1 . . . . 37 LYS HE3 . 16247 1 408 . 1 1 37 37 LYS HG2 H 1 1.593 0.020 . 1 . . . . 37 LYS HG2 . 16247 1 409 . 1 1 37 37 LYS HG3 H 1 1.481 0.020 . 1 . . . . 37 LYS HG3 . 16247 1 410 . 1 1 37 37 LYS C C 13 177.582 0.400 . 1 . . . . 37 LYS C . 16247 1 411 . 1 1 37 37 LYS CA C 13 57.518 0.400 . 1 . . . . 37 LYS CA . 16247 1 412 . 1 1 37 37 LYS CB C 13 32.662 0.400 . 1 . . . . 37 LYS CB . 16247 1 413 . 1 1 37 37 LYS CD C 13 29.34 0.400 . 1 . . . . 37 LYS CD . 16247 1 414 . 1 1 37 37 LYS CE C 13 42.14 0.400 . 1 . . . . 37 LYS CE . 16247 1 415 . 1 1 37 37 LYS CG C 13 25.04 0.400 . 1 . . . . 37 LYS CG . 16247 1 416 . 1 1 37 37 LYS N N 15 121.035 0.400 . 1 . . . . 37 LYS N . 16247 1 417 . 1 1 38 38 LYS H H 1 8.2 0.020 . 1 . . . . 38 LYS H . 16247 1 418 . 1 1 38 38 LYS HA H 1 4.259 0.020 . 1 . . . . 38 LYS HA . 16247 1 419 . 1 1 38 38 LYS HB2 H 1 1.871 0.020 . 1 . . . . 38 LYS HB2 . 16247 1 420 . 1 1 38 38 LYS HB3 H 1 1.725 0.020 . 1 . . . . 38 LYS HB3 . 16247 1 421 . 1 1 38 38 LYS HD2 H 1 1.554 0.020 . 1 . . . . 38 LYS HD2 . 16247 1 422 . 1 1 38 38 LYS HD3 H 1 1.554 0.020 . 1 . . . . 38 LYS HD3 . 16247 1 423 . 1 1 38 38 LYS HE2 H 1 3.027 0.020 . 1 . . . . 38 LYS HE2 . 16247 1 424 . 1 1 38 38 LYS HE3 H 1 3.027 0.020 . 1 . . . . 38 LYS HE3 . 16247 1 425 . 1 1 38 38 LYS HG2 H 1 1.511 0.020 . 1 . . . . 38 LYS HG2 . 16247 1 426 . 1 1 38 38 LYS HG3 H 1 1.464 0.020 . 1 . . . . 38 LYS HG3 . 16247 1 427 . 1 1 38 38 LYS C C 13 177.094 0.400 . 1 . . . . 38 LYS C . 16247 1 428 . 1 1 38 38 LYS CA C 13 57.2 0.400 . 1 . . . . 38 LYS CA . 16247 1 429 . 1 1 38 38 LYS CB C 13 32.881 0.400 . 1 . . . . 38 LYS CB . 16247 1 430 . 1 1 38 38 LYS CD C 13 29.036 0.400 . 1 . . . . 38 LYS CD . 16247 1 431 . 1 1 38 38 LYS CE C 13 42.075 0.400 . 1 . . . . 38 LYS CE . 16247 1 432 . 1 1 38 38 LYS CG C 13 24.894 0.400 . 1 . . . . 38 LYS CG . 16247 1 433 . 1 1 38 38 LYS N N 15 121.951 0.400 . 1 . . . . 38 LYS N . 16247 1 434 . 1 1 39 39 ALA H H 1 8.31 0.020 . 1 . . . . 39 ALA H . 16247 1 435 . 1 1 39 39 ALA HA H 1 4.297 0.020 . 1 . . . . 39 ALA HA . 16247 1 436 . 1 1 39 39 ALA HB1 H 1 1.507 0.020 . 1 . . . . 39 ALA MB . 16247 1 437 . 1 1 39 39 ALA HB2 H 1 1.507 0.020 . 1 . . . . 39 ALA MB . 16247 1 438 . 1 1 39 39 ALA HB3 H 1 1.507 0.020 . 1 . . . . 39 ALA MB . 16247 1 439 . 1 1 39 39 ALA C C 13 178.705 0.400 . 1 . . . . 39 ALA C . 16247 1 440 . 1 1 39 39 ALA CA C 13 53.083 0.400 . 1 . . . . 39 ALA CA . 16247 1 441 . 1 1 39 39 ALA CB C 13 18.859 0.400 . 1 . . . . 39 ALA CB . 16247 1 442 . 1 1 39 39 ALA N N 15 124.85 0.400 . 1 . . . . 39 ALA N . 16247 1 443 . 1 1 40 40 LYS H H 1 8.322 0.020 . 1 . . . . 40 LYS H . 16247 1 444 . 1 1 40 40 LYS HA H 1 4.257 0.020 . 1 . . . . 40 LYS HA . 16247 1 445 . 1 1 40 40 LYS HB2 H 1 1.864 0.020 . 1 . . . . 40 LYS HB2 . 16247 1 446 . 1 1 40 40 LYS HB3 H 1 1.725 0.020 . 1 . . . . 40 LYS HB3 . 16247 1 447 . 1 1 40 40 LYS HD2 H 1 1.756 0.020 . 1 . . . . 40 LYS HD2 . 16247 1 448 . 1 1 40 40 LYS HD3 H 1 1.756 0.020 . 1 . . . . 40 LYS HD3 . 16247 1 449 . 1 1 40 40 LYS HE2 H 1 3.018 0.020 . 1 . . . . 40 LYS HE2 . 16247 1 450 . 1 1 40 40 LYS HE3 H 1 3.018 0.020 . 1 . . . . 40 LYS HE3 . 16247 1 451 . 1 1 40 40 LYS HG2 H 1 1.561 0.020 . 1 . . . . 40 LYS HG2 . 16247 1 452 . 1 1 40 40 LYS HG3 H 1 1.511 0.020 . 1 . . . . 40 LYS HG3 . 16247 1 453 . 1 1 40 40 LYS C C 13 176.957 0.400 . 1 . . . . 40 LYS C . 16247 1 454 . 1 1 40 40 LYS CA C 13 57.048 0.400 . 1 . . . . 40 LYS CA . 16247 1 455 . 1 1 40 40 LYS CB C 13 32.89 0.400 . 1 . . . . 40 LYS CB . 16247 1 456 . 1 1 40 40 LYS CD C 13 29.049 0.400 . 1 . . . . 40 LYS CD . 16247 1 457 . 1 1 40 40 LYS CE C 13 42.125 0.400 . 1 . . . . 40 LYS CE . 16247 1 458 . 1 1 40 40 LYS CG C 13 24.917 0.400 . 1 . . . . 40 LYS CG . 16247 1 459 . 1 1 40 40 LYS N N 15 120.538 0.400 . 1 . . . . 40 LYS N . 16247 1 460 . 1 1 41 41 ALA H H 1 8.292 0.020 . 1 . . . . 41 ALA H . 16247 1 461 . 1 1 41 41 ALA HA H 1 4.328 0.020 . 1 . . . . 41 ALA HA . 16247 1 462 . 1 1 41 41 ALA HB1 H 1 1.468 0.020 . 1 . . . . 41 ALA MB . 16247 1 463 . 1 1 41 41 ALA HB2 H 1 1.468 0.020 . 1 . . . . 41 ALA MB . 16247 1 464 . 1 1 41 41 ALA HB3 H 1 1.468 0.020 . 1 . . . . 41 ALA MB . 16247 1 465 . 1 1 41 41 ALA C C 13 178.535 0.400 . 1 . . . . 41 ALA C . 16247 1 466 . 1 1 41 41 ALA CA C 13 53.106 0.400 . 1 . . . . 41 ALA CA . 16247 1 467 . 1 1 41 41 ALA CB C 13 18.889 0.400 . 1 . . . . 41 ALA CB . 16247 1 468 . 1 1 41 41 ALA N N 15 124.385 0.400 . 1 . . . . 41 ALA N . 16247 1 469 . 1 1 42 42 GLU H H 1 8.441 0.020 . 1 . . . . 42 GLU H . 16247 1 470 . 1 1 42 42 GLU HA H 1 4.275 0.020 . 1 . . . . 42 GLU HA . 16247 1 471 . 1 1 42 42 GLU HB2 H 1 2.099 0.020 . 1 . . . . 42 GLU HB2 . 16247 1 472 . 1 1 42 42 GLU HB3 H 1 1.998 0.020 . 1 . . . . 42 GLU HB3 . 16247 1 473 . 1 1 42 42 GLU HG2 H 1 2.411 0.020 . 1 . . . . 42 GLU HG2 . 16247 1 474 . 1 1 42 42 GLU HG3 H 1 2.411 0.020 . 1 . . . . 42 GLU HG3 . 16247 1 475 . 1 1 42 42 GLU C C 13 176.846 0.400 . 1 . . . . 42 GLU C . 16247 1 476 . 1 1 42 42 GLU CA C 13 57.031 0.400 . 1 . . . . 42 GLU CA . 16247 1 477 . 1 1 42 42 GLU CB C 13 30.151 0.400 . 1 . . . . 42 GLU CB . 16247 1 478 . 1 1 42 42 GLU CG C 13 36.393 0.400 . 1 . . . . 42 GLU CG . 16247 1 479 . 1 1 42 42 GLU N N 15 120.022 0.400 . 1 . . . . 42 GLU N . 16247 1 480 . 1 1 43 43 ALA H H 1 8.276 0.020 . 1 . . . . 43 ALA H . 16247 1 481 . 1 1 43 43 ALA HA H 1 4.306 0.020 . 1 . . . . 43 ALA HA . 16247 1 482 . 1 1 43 43 ALA HB1 H 1 1.473 0.020 . 1 . . . . 43 ALA MB . 16247 1 483 . 1 1 43 43 ALA HB2 H 1 1.473 0.020 . 1 . . . . 43 ALA MB . 16247 1 484 . 1 1 43 43 ALA HB3 H 1 1.473 0.020 . 1 . . . . 43 ALA MB . 16247 1 485 . 1 1 43 43 ALA C C 13 178.055 0.400 . 1 . . . . 43 ALA C . 16247 1 486 . 1 1 43 43 ALA CA C 13 52.974 0.400 . 1 . . . . 43 ALA CA . 16247 1 487 . 1 1 43 43 ALA CB C 13 18.903 0.400 . 1 . . . . 43 ALA CB . 16247 1 488 . 1 1 43 43 ALA N N 15 124.119 0.400 . 1 . . . . 43 ALA N . 16247 1 489 . 1 1 44 44 GLN H H 1 8.312 0.020 . 1 . . . . 44 GLN H . 16247 1 490 . 1 1 44 44 GLN HA H 1 4.31 0.020 . 1 . . . . 44 GLN HA . 16247 1 491 . 1 1 44 44 GLN HB2 H 1 2.06 0.020 . 1 . . . . 44 GLN HB2 . 16247 1 492 . 1 1 44 44 GLN HB3 H 1 2.06 0.020 . 1 . . . . 44 GLN HB3 . 16247 1 493 . 1 1 44 44 GLN HG2 H 1 2.407 0.020 . 1 . . . . 44 GLN HG2 . 16247 1 494 . 1 1 44 44 GLN HG3 H 1 2.407 0.020 . 1 . . . . 44 GLN HG3 . 16247 1 495 . 1 1 44 44 GLN C C 13 176.174 0.400 . 1 . . . . 44 GLN C . 16247 1 496 . 1 1 44 44 GLN CA C 13 56.154 0.400 . 1 . . . . 44 GLN CA . 16247 1 497 . 1 1 44 44 GLN CB C 13 29.285 0.400 . 1 . . . . 44 GLN CB . 16247 1 498 . 1 1 44 44 GLN CG C 13 33.79 0.400 . 1 . . . . 44 GLN CG . 16247 1 499 . 1 1 44 44 GLN N N 15 119.573 0.400 . 1 . . . . 44 GLN N . 16247 1 500 . 1 1 45 45 VAL H H 1 8.206 0.020 . 1 . . . . 45 VAL H . 16247 1 501 . 1 1 45 45 VAL HA H 1 4.36 0.020 . 1 . . . . 45 VAL HA . 16247 1 502 . 1 1 45 45 VAL HB H 1 2.084 0.020 . 1 . . . . 45 VAL HB . 16247 1 503 . 1 1 45 45 VAL HG11 H 1 0.982 0.020 . 1 . . . . 45 VAL MG1 . 16247 1 504 . 1 1 45 45 VAL HG12 H 1 0.982 0.020 . 1 . . . . 45 VAL MG1 . 16247 1 505 . 1 1 45 45 VAL HG13 H 1 0.982 0.020 . 1 . . . . 45 VAL MG1 . 16247 1 506 . 1 1 45 45 VAL C C 13 176.263 0.400 . 1 . . . . 45 VAL C . 16247 1 507 . 1 1 45 45 VAL CA C 13 63.12 0.400 . 1 . . . . 45 VAL CA . 16247 1 508 . 1 1 45 45 VAL CB C 13 32.386 0.400 . 1 . . . . 45 VAL CB . 16247 1 509 . 1 1 45 45 VAL CG1 C 13 21.116 0.400 . 1 . . . . 45 VAL CG1 . 16247 1 510 . 1 1 45 45 VAL CG2 C 13 21.116 0.400 . 1 . . . . 45 VAL CG2 . 16247 1 511 . 1 1 45 45 VAL N N 15 122.385 0.400 . 1 . . . . 45 VAL N . 16247 1 512 . 1 1 46 46 ILE H H 1 8.045 0.020 . 1 . . . . 46 ILE H . 16247 1 513 . 1 1 46 46 ILE HA H 1 4.138 0.020 . 1 . . . . 46 ILE HA . 16247 1 514 . 1 1 46 46 ILE HB H 1 1.885 0.020 . 1 . . . . 46 ILE HB . 16247 1 515 . 1 1 46 46 ILE HD11 H 1 0.936 0.020 . 1 . . . . 46 ILE MD . 16247 1 516 . 1 1 46 46 ILE HD12 H 1 0.936 0.020 . 1 . . . . 46 ILE MD . 16247 1 517 . 1 1 46 46 ILE HD13 H 1 0.936 0.020 . 1 . . . . 46 ILE MD . 16247 1 518 . 1 1 46 46 ILE HG12 H 1 1.505 0.020 . 1 . . . . 46 ILE HG12 . 16247 1 519 . 1 1 46 46 ILE HG13 H 1 1.505 0.020 . 1 . . . . 46 ILE HG13 . 16247 1 520 . 1 1 46 46 ILE C C 13 176.573 0.400 . 1 . . . . 46 ILE C . 16247 1 521 . 1 1 46 46 ILE CA C 13 61.413 0.400 . 1 . . . . 46 ILE CA . 16247 1 522 . 1 1 46 46 ILE CB C 13 38.356 0.400 . 1 . . . . 46 ILE CB . 16247 1 523 . 1 1 46 46 ILE CD1 C 13 12.542 0.400 . 1 . . . . 46 ILE CD1 . 16247 1 524 . 1 1 46 46 ILE CG1 C 13 27.539 0.400 . 1 . . . . 46 ILE CG1 . 16247 1 525 . 1 1 46 46 ILE CG2 C 13 17.412 0.400 . 1 . . . . 46 ILE CG2 . 16247 1 526 . 1 1 46 46 ILE N N 15 125.491 0.400 . 1 . . . . 46 ILE N . 16247 1 527 . 1 1 47 47 ILE H H 1 8.332 0.020 . 1 . . . . 47 ILE H . 16247 1 528 . 1 1 47 47 ILE HA H 1 4.177 0.020 . 1 . . . . 47 ILE HA . 16247 1 529 . 1 1 47 47 ILE HB H 1 1.916 0.020 . 1 . . . . 47 ILE HB . 16247 1 530 . 1 1 47 47 ILE HD11 H 1 0.962 0.020 . 1 . . . . 47 ILE MD . 16247 1 531 . 1 1 47 47 ILE HD12 H 1 0.962 0.020 . 1 . . . . 47 ILE MD . 16247 1 532 . 1 1 47 47 ILE HD13 H 1 0.962 0.020 . 1 . . . . 47 ILE MD . 16247 1 533 . 1 1 47 47 ILE HG12 H 1 1.25 0.020 . 1 . . . . 47 ILE HG12 . 16247 1 534 . 1 1 47 47 ILE HG13 H 1 1.25 0.020 . 1 . . . . 47 ILE HG13 . 16247 1 535 . 1 1 47 47 ILE C C 13 176.554 0.400 . 1 . . . . 47 ILE C . 16247 1 536 . 1 1 47 47 ILE CA C 13 61.374 0.400 . 1 . . . . 47 ILE CA . 16247 1 537 . 1 1 47 47 ILE CB C 13 38.377 0.400 . 1 . . . . 47 ILE CB . 16247 1 538 . 1 1 47 47 ILE CD1 C 13 12.614 0.400 . 1 . . . . 47 ILE CD1 . 16247 1 539 . 1 1 47 47 ILE CG1 C 13 27.503 0.400 . 1 . . . . 47 ILE CG1 . 16247 1 540 . 1 1 47 47 ILE CG2 C 13 17.367 0.400 . 1 . . . . 47 ILE CG2 . 16247 1 541 . 1 1 47 47 ILE N N 15 126.147 0.400 . 1 . . . . 47 ILE N . 16247 1 542 . 1 1 48 48 GLU H H 1 8.587 0.020 . 1 . . . . 48 GLU H . 16247 1 543 . 1 1 48 48 GLU HA H 1 4.141 0.020 . 1 . . . . 48 GLU HA . 16247 1 544 . 1 1 48 48 GLU HB2 H 1 2.352 0.020 . 1 . . . . 48 GLU HB2 . 16247 1 545 . 1 1 48 48 GLU HB3 H 1 2.288 0.020 . 1 . . . . 48 GLU HB3 . 16247 1 546 . 1 1 48 48 GLU C C 13 176.29 0.400 . 1 . . . . 48 GLU C . 16247 1 547 . 1 1 48 48 GLU CA C 13 56.867 0.400 . 1 . . . . 48 GLU CA . 16247 1 548 . 1 1 48 48 GLU CB C 13 30.16 0.400 . 1 . . . . 48 GLU CB . 16247 1 549 . 1 1 48 48 GLU CG C 13 36.339 0.400 . 1 . . . . 48 GLU CG . 16247 1 550 . 1 1 48 48 GLU N N 15 125.278 0.400 . 1 . . . . 48 GLU N . 16247 1 551 . 1 1 49 49 GLN H H 1 8.521 0.020 . 1 . . . . 49 GLN H . 16247 1 552 . 1 1 49 49 GLN HA H 1 4.313 0.020 . 1 . . . . 49 GLN HA . 16247 1 553 . 1 1 49 49 GLN HB2 H 1 2.036 0.020 . 1 . . . . 49 GLN HB2 . 16247 1 554 . 1 1 49 49 GLN HB3 H 1 2.036 0.020 . 1 . . . . 49 GLN HB3 . 16247 1 555 . 1 1 49 49 GLN HG2 H 1 2.442 0.020 . 1 . . . . 49 GLN HG2 . 16247 1 556 . 1 1 49 49 GLN HG3 H 1 2.442 0.020 . 1 . . . . 49 GLN HG3 . 16247 1 557 . 1 1 49 49 GLN C C 13 175.798 0.400 . 1 . . . . 49 GLN C . 16247 1 558 . 1 1 49 49 GLN CA C 13 55.936 0.400 . 1 . . . . 49 GLN CA . 16247 1 559 . 1 1 49 49 GLN CB C 13 29.328 0.400 . 1 . . . . 49 GLN CB . 16247 1 560 . 1 1 49 49 GLN CG C 13 33.808 0.400 . 1 . . . . 49 GLN CG . 16247 1 561 . 1 1 49 49 GLN N N 15 125.675 0.400 . 1 . . . . 49 GLN N . 16247 1 562 . 1 1 50 50 ALA H H 1 8.414 0.020 . 1 . . . . 50 ALA H . 16247 1 563 . 1 1 50 50 ALA HA H 1 4.356 0.020 . 1 . . . . 50 ALA HA . 16247 1 564 . 1 1 50 50 ALA HB1 H 1 1.425 0.020 . 1 . . . . 50 ALA MB . 16247 1 565 . 1 1 50 50 ALA HB2 H 1 1.425 0.020 . 1 . . . . 50 ALA MB . 16247 1 566 . 1 1 50 50 ALA HB3 H 1 1.425 0.020 . 1 . . . . 50 ALA MB . 16247 1 567 . 1 1 50 50 ALA C C 13 177.553 0.400 . 1 . . . . 50 ALA C . 16247 1 568 . 1 1 50 50 ALA CA C 13 52.833 0.400 . 1 . . . . 50 ALA CA . 16247 1 569 . 1 1 50 50 ALA CB C 13 19.162 0.400 . 1 . . . . 50 ALA CB . 16247 1 570 . 1 1 50 50 ALA N N 15 124.988 0.400 . 1 . . . . 50 ALA N . 16247 1 571 . 1 1 51 51 ASN H H 1 8.467 0.020 . 1 . . . . 51 ASN H . 16247 1 572 . 1 1 51 51 ASN HA H 1 4.738 0.020 . 1 . . . . 51 ASN HA . 16247 1 573 . 1 1 51 51 ASN HB2 H 1 2.776 0.020 . 1 . . . . 51 ASN HB2 . 16247 1 574 . 1 1 51 51 ASN HB3 H 1 2.878 0.020 . 1 . . . . 51 ASN HB3 . 16247 1 575 . 1 1 51 51 ASN C C 13 174.232 0.400 . 1 . . . . 51 ASN C . 16247 1 576 . 1 1 51 51 ASN CA C 13 53.358 0.400 . 1 . . . . 51 ASN CA . 16247 1 577 . 1 1 51 51 ASN CB C 13 38.847 0.400 . 1 . . . . 51 ASN CB . 16247 1 578 . 1 1 51 51 ASN N N 15 118.053 0.400 . 1 . . . . 51 ASN N . 16247 1 579 . 1 1 52 52 LYS H H 1 7.943 0.020 . 1 . . . . 52 LYS H . 16247 1 580 . 1 1 52 52 LYS HA H 1 4.195 0.020 . 1 . . . . 52 LYS HA . 16247 1 581 . 1 1 52 52 LYS HD2 H 1 1.767 0.020 . 1 . . . . 52 LYS HD2 . 16247 1 582 . 1 1 52 52 LYS HD3 H 1 1.767 0.020 . 1 . . . . 52 LYS HD3 . 16247 1 583 . 1 1 52 52 LYS HG2 H 1 1.423 0.020 . 1 . . . . 52 LYS HG2 . 16247 1 584 . 1 1 52 52 LYS HG3 H 1 1.423 0.020 . 1 . . . . 52 LYS HG3 . 16247 1 585 . 1 1 52 52 LYS CA C 13 57.852 0.400 . 1 . . . . 52 LYS CA . 16247 1 586 . 1 1 52 52 LYS CB C 13 33.585 0.400 . 1 . . . . 52 LYS CB . 16247 1 587 . 1 1 52 52 LYS N N 15 126.444 0.400 . 1 . . . . 52 LYS N . 16247 1 stop_ save_