data_15079 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15079 _Entry.Title ; Solution NMR structure of the ygdR protein from Escherichia coli. Northeast Structural Genomics target ER382A. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-15 _Entry.Accession_date 2006-12-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Paolo Rossi . . . 15079 2 Chen Chen . X. . 15079 3 Mei Jiang . . . 15079 4 Kellie Cunningham . . . 15079 5 Li-Chung Ma . . . 15079 6 Rong Xiao . . . 15079 7 Jinfeng Liu . C. . 15079 8 Michael Baran . . . 15079 9 G.V.T Swapna . . . 15079 10 Thomas Acton . B. . 15079 11 Burkhard Rost . . . 15079 12 Gaetano Montelione . T. . 15079 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 188 15079 '15N chemical shifts' 50 15079 '1H chemical shifts' 314 15079 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 3 . . 2010-05-25 2006-12-15 update BMRB 'update entity name' 15079 2 . . 2007-04-11 2006-12-15 update author 'corrected some ambiguity codes' 15079 1 . . 2007-02-23 2006-12-15 original author 'original release' 15079 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15079 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of the ygdR protein from Escherichia coli. Northeast Structural Genomics target ER382A.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Paolo Rossi . . . 15079 1 2 Chen Chen . X. . 15079 1 3 Mei Jiang . . . 15079 1 4 Kellie Cunningham . . . 15079 1 5 Li-Chung Ma . . . 15079 1 6 Rong Xiao . . . 15079 1 7 Jinfeng Liu . . . 15079 1 8 Michael Baran . C. . 15079 1 9 G.V.T. Swapna . . . 15079 1 10 Thomas Acton . B. . 15079 1 11 Burkhard Rost . . . 15079 1 12 Gaetano Montelione . T. . 15079 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Lipoprotein 15079 1 PSI-2 15079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15079 _Assembly.ID 1 _Assembly.Name ER382A _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 . _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 ER382A 1 $entity A . yes native no no . . . 15079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15079 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ER382A _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 ; MSSDYVMATKDGRMILTDGK PEIDDDTGLVSYHDQQGNAM QINRDDVSQIIERLEHHHHH H ; _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 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7052.778 _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 2JN0 . "Solution Nmr Structure Of The Ygdr Protein From Escherichia Coli. Northeast Structural Genomics Target Er382a" . . . . . 100.00 61 100.00 100.00 4.48e-35 . . . . 15079 1 2 no DBJ BAB37113 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 3 no DBJ BAE76902 . "hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 4 no DBJ BAG78614 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 5 no DBJ BAI27097 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 6 no DBJ BAI32140 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 7 no EMBL CAP77290 . "Uncharacterized lipoprotein ygdR [Escherichia coli LF82]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 8 no EMBL CAQ33159 . "predicted protein [Escherichia coli BL21(DE3)]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 9 no EMBL CAQ90261 . "conserved hypothetical protein [Escherichia fergusonii ATCC 35469]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 10 no EMBL CAQ99759 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 11 no EMBL CAR04368 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 12 no GB AAB40480 . "ORF_o72 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 13 no GB AAC75872 . "DUF903 family verified lipoprotein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 14 no GB AAG57945 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 15 no GB AAN44329 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 16 no GB AAN81873 . "Hypothetical lipoprotein ygdR precursor [Escherichia coli CFT073]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 17 no REF NP_311717 . "hypothetical protein ECs3690 [Escherichia coli O157:H7 str. Sakai]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 18 no REF NP_417310 . "DUF903 family verified lipoprotein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 19 no REF NP_708622 . "hypothetical protein SF2843 [Shigella flexneri 2a str. 301]" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 20 no REF WP_000758652 . "hypothetical protein [Escherichia coli]" . . . . . 85.25 72 98.08 100.00 5.60e-28 . . . . 15079 1 21 no REF WP_000758653 . "hypothetical protein [Shigella flexneri]" . . . . . 85.25 72 98.08 98.08 1.95e-27 . . . . 15079 1 22 no SP P65294 . "RecName: Full=Uncharacterized lipoprotein YgdR; Flags: Precursor" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 23 no SP P65295 . "RecName: Full=Uncharacterized lipoprotein YgdR; Flags: Precursor" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 24 no SP P65296 . "RecName: Full=Uncharacterized lipoprotein YgdR; Flags: Precursor" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 25 no SP P65297 . "RecName: Full=Uncharacterized lipoprotein YgdR; Flags: Precursor" . . . . . 85.25 72 100.00 100.00 1.42e-28 . . . . 15079 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'hypothetical lipoprotein' 15079 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15079 1 2 . SER . 15079 1 3 . SER . 15079 1 4 . ASP . 15079 1 5 . TYR . 15079 1 6 . VAL . 15079 1 7 . MET . 15079 1 8 . ALA . 15079 1 9 . THR . 15079 1 10 . LYS . 15079 1 11 . ASP . 15079 1 12 . GLY . 15079 1 13 . ARG . 15079 1 14 . MET . 15079 1 15 . ILE . 15079 1 16 . LEU . 15079 1 17 . THR . 15079 1 18 . ASP . 15079 1 19 . GLY . 15079 1 20 . LYS . 15079 1 21 . PRO . 15079 1 22 . GLU . 15079 1 23 . ILE . 15079 1 24 . ASP . 15079 1 25 . ASP . 15079 1 26 . ASP . 15079 1 27 . THR . 15079 1 28 . GLY . 15079 1 29 . LEU . 15079 1 30 . VAL . 15079 1 31 . SER . 15079 1 32 . TYR . 15079 1 33 . HIS . 15079 1 34 . ASP . 15079 1 35 . GLN . 15079 1 36 . GLN . 15079 1 37 . GLY . 15079 1 38 . ASN . 15079 1 39 . ALA . 15079 1 40 . MET . 15079 1 41 . GLN . 15079 1 42 . ILE . 15079 1 43 . ASN . 15079 1 44 . ARG . 15079 1 45 . ASP . 15079 1 46 . ASP . 15079 1 47 . VAL . 15079 1 48 . SER . 15079 1 49 . GLN . 15079 1 50 . ILE . 15079 1 51 . ILE . 15079 1 52 . GLU . 15079 1 53 . ARG . 15079 1 54 . LEU . 15079 1 55 . GLU . 15079 1 56 . HIS . 15079 1 57 . HIS . 15079 1 58 . HIS . 15079 1 59 . HIS . 15079 1 60 . HIS . 15079 1 61 . HIS . 15079 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 15079 1 . SER 2 2 15079 1 . SER 3 3 15079 1 . ASP 4 4 15079 1 . TYR 5 5 15079 1 . VAL 6 6 15079 1 . MET 7 7 15079 1 . ALA 8 8 15079 1 . THR 9 9 15079 1 . LYS 10 10 15079 1 . ASP 11 11 15079 1 . GLY 12 12 15079 1 . ARG 13 13 15079 1 . MET 14 14 15079 1 . ILE 15 15 15079 1 . LEU 16 16 15079 1 . THR 17 17 15079 1 . ASP 18 18 15079 1 . GLY 19 19 15079 1 . LYS 20 20 15079 1 . PRO 21 21 15079 1 . GLU 22 22 15079 1 . ILE 23 23 15079 1 . ASP 24 24 15079 1 . ASP 25 25 15079 1 . ASP 26 26 15079 1 . THR 27 27 15079 1 . GLY 28 28 15079 1 . LEU 29 29 15079 1 . VAL 30 30 15079 1 . SER 31 31 15079 1 . TYR 32 32 15079 1 . HIS 33 33 15079 1 . ASP 34 34 15079 1 . GLN 35 35 15079 1 . GLN 36 36 15079 1 . GLY 37 37 15079 1 . ASN 38 38 15079 1 . ALA 39 39 15079 1 . MET 40 40 15079 1 . GLN 41 41 15079 1 . ILE 42 42 15079 1 . ASN 43 43 15079 1 . ARG 44 44 15079 1 . ASP 45 45 15079 1 . ASP 46 46 15079 1 . VAL 47 47 15079 1 . SER 48 48 15079 1 . GLN 49 49 15079 1 . ILE 50 50 15079 1 . ILE 51 51 15079 1 . GLU 52 52 15079 1 . ARG 53 53 15079 1 . LEU 54 54 15079 1 . GLU 55 55 15079 1 . HIS 56 56 15079 1 . HIS 57 57 15079 1 . HIS 58 58 15079 1 . HIS 59 59 15079 1 . HIS 60 60 15079 1 . HIS 61 61 15079 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 15079 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15079 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 15079 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . . . 'BL21(DE3)+ Magic' . . . . . . . . . . . . . . . ER382A-21.2 . . . ; C-tag=LEHHHHHHHH Monomer by light scattering ; . . 15079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15079 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'PST ID ER382A.007 NC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ER382A '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.17 . . mM . . . . 15079 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15079 1 3 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15079 1 4 NaCl 'natural abundance' . . . . . . 0.1 . . M . . . . 15079 1 5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15079 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15079 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 15079 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 15079 1 pH 6.5 . pH 15079 1 pressure 1 . atm 15079 1 temperature 293 . K 15079 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15079 _Software.ID 1 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Y-J.; Tejero, R.; Powers, R.; Montelione, G.T.' . . 15079 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15079 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15079 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2005 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15079 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure anaylsis' 15079 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 15079 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard, Kneller' . . 15079 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15079 3 stop_ save_ save_molmol _Software.Sf_category software _Software.Sf_framecode molmol _Software.Entry_ID 15079 _Software.ID 4 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15079 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure visualization' 15079 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15079 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15079 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15079 5 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 15079 _Software.ID 6 _Software.Name Procheck _Software.Version 3.51 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15079 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15079 6 stop_ save_ save_NIH-Xplor _Software.Sf_category software _Software.Sf_framecode NIH-Xplor _Software.Entry_ID 15079 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version 2.11.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15079 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15079 7 stop_ save_ save_Dyana _Software.Sf_category software _Software.Sf_framecode Dyana _Software.Entry_ID 15079 _Software.ID 8 _Software.Name DYANA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 15079 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15079 8 stop_ save_ save_MOLPROBITY _Software.Sf_category software _Software.Sf_framecode MOLPROBITY _Software.Entry_ID 15079 _Software.ID 9 _Software.Name MolProbity _Software.Version 3.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Richardson . . 15079 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15079 9 stop_ save_ save_QUEEN _Software.Sf_category software _Software.Sf_framecode QUEEN _Software.Entry_ID 15079 _Software.ID 10 _Software.Name QUEEN _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nabuurs, Spronk, Vriend, Vuister' . . 15079 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure refinement' 15079 10 stop_ save_ save_Xwinnmr _Software.Sf_category software _Software.Sf_framecode Xwinnmr _Software.Entry_ID 15079 _Software.ID 11 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker biospin' . . 15079 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 15079 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15079 _Software.ID 12 _Software.Name PSVS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 15079 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15079 12 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 15079 _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 15079 _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 . . . 15079 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 15079 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 9 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 1 11 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15079 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 15079 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15079 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15079 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15079 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 15079 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 6 '3D 1H-15N NOESY' . . . 15079 1 7 '3D 1H-13C NOESY' . . . 15079 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $AutoStructure . . 15079 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 5 5 TYR HD1 H 1 6.849 0.03 . 1 . . . . 5 TYR HD1 . 15079 1 2 . 1 1 5 5 TYR HD2 H 1 6.849 0.03 . 1 . . . . 5 TYR HD2 . 15079 1 3 . 1 1 5 5 TYR HE1 H 1 6.714 0.03 . 1 . . . . 5 TYR HE1 . 15079 1 4 . 1 1 5 5 TYR HE2 H 1 6.714 0.03 . 1 . . . . 5 TYR HE2 . 15079 1 5 . 1 1 5 5 TYR C C 13 175.311 0.3 . 1 . . . . 5 TYR C . 15079 1 6 . 1 1 5 5 TYR CA C 13 57.458 0.3 . 1 . . . . 5 TYR CA . 15079 1 7 . 1 1 5 5 TYR CB C 13 42.374 0.3 . 1 . . . . 5 TYR CB . 15079 1 8 . 1 1 5 5 TYR CD1 C 13 133.07 0.3 . 1 . . . . 5 TYR CD1 . 15079 1 9 . 1 1 5 5 TYR CD2 C 13 133.07 0.3 . 1 . . . . 5 TYR CD2 . 15079 1 10 . 1 1 5 5 TYR CE1 C 13 117.545 0.3 . 1 . . . . 5 TYR CE1 . 15079 1 11 . 1 1 5 5 TYR CE2 C 13 117.545 0.3 . 1 . . . . 5 TYR CE2 . 15079 1 12 . 1 1 6 6 VAL H H 1 9.127 0.03 . 1 . . . . 6 VAL H . 15079 1 13 . 1 1 6 6 VAL HA H 1 4.915 0.03 . 1 . . . . 6 VAL HA . 15079 1 14 . 1 1 6 6 VAL HB H 1 1.858 0.03 . 1 . . . . 6 VAL HB . 15079 1 15 . 1 1 6 6 VAL HG11 H 1 0.806 0.03 . 2 . . . . 6 VAL HG1 . 15079 1 16 . 1 1 6 6 VAL HG12 H 1 0.806 0.03 . 2 . . . . 6 VAL HG1 . 15079 1 17 . 1 1 6 6 VAL HG13 H 1 0.806 0.03 . 2 . . . . 6 VAL HG1 . 15079 1 18 . 1 1 6 6 VAL HG21 H 1 0.801 0.03 . 2 . . . . 6 VAL HG2 . 15079 1 19 . 1 1 6 6 VAL HG22 H 1 0.801 0.03 . 2 . . . . 6 VAL HG2 . 15079 1 20 . 1 1 6 6 VAL HG23 H 1 0.801 0.03 . 2 . . . . 6 VAL HG2 . 15079 1 21 . 1 1 6 6 VAL CA C 13 60.093 0.3 . 1 . . . . 6 VAL CA . 15079 1 22 . 1 1 6 6 VAL CB C 13 35.880 0.3 . 1 . . . . 6 VAL CB . 15079 1 23 . 1 1 6 6 VAL CG1 C 13 21.482 0.3 . 2 . . . . 6 VAL CG1 . 15079 1 24 . 1 1 6 6 VAL CG2 C 13 21.453 0.3 . 2 . . . . 6 VAL CG2 . 15079 1 25 . 1 1 6 6 VAL N N 15 119.626 0.3 . 1 . . . . 6 VAL N . 15079 1 26 . 1 1 7 7 MET H H 1 9.312 0.03 . 1 . . . . 7 MET H . 15079 1 27 . 1 1 7 7 MET HA H 1 5.119 0.03 . 1 . . . . 7 MET HA . 15079 1 28 . 1 1 7 7 MET HB2 H 1 1.840 0.03 . 2 . . . . 7 MET HB2 . 15079 1 29 . 1 1 7 7 MET HB3 H 1 1.675 0.03 . 2 . . . . 7 MET HB3 . 15079 1 30 . 1 1 7 7 MET HG2 H 1 2.203 0.03 . 2 . . . . 7 MET HG2 . 15079 1 31 . 1 1 7 7 MET HG3 H 1 2.021 0.03 . 2 . . . . 7 MET HG3 . 15079 1 32 . 1 1 7 7 MET HE1 H 1 0.933 0.03 . 1 . . . . 7 MET HE . 15079 1 33 . 1 1 7 7 MET HE2 H 1 0.933 0.03 . 1 . . . . 7 MET HE . 15079 1 34 . 1 1 7 7 MET HE3 H 1 0.933 0.03 . 1 . . . . 7 MET HE . 15079 1 35 . 1 1 7 7 MET C C 13 173.751 0.3 . 1 . . . . 7 MET C . 15079 1 36 . 1 1 7 7 MET CA C 13 54.336 0.3 . 1 . . . . 7 MET CA . 15079 1 37 . 1 1 7 7 MET CB C 13 35.576 0.3 . 1 . . . . 7 MET CB . 15079 1 38 . 1 1 7 7 MET CE C 13 15.448 0.3 . 1 . . . . 7 MET CE . 15079 1 39 . 1 1 7 7 MET N N 15 124.441 0.3 . 1 . . . . 7 MET N . 15079 1 40 . 1 1 8 8 ALA H H 1 8.844 0.03 . 1 . . . . 8 ALA H . 15079 1 41 . 1 1 8 8 ALA HA H 1 5.524 0.03 . 1 . . . . 8 ALA HA . 15079 1 42 . 1 1 8 8 ALA HB1 H 1 1.347 0.03 . 1 . . . . 8 ALA HB . 15079 1 43 . 1 1 8 8 ALA HB2 H 1 1.347 0.03 . 1 . . . . 8 ALA HB . 15079 1 44 . 1 1 8 8 ALA HB3 H 1 1.347 0.03 . 1 . . . . 8 ALA HB . 15079 1 45 . 1 1 8 8 ALA C C 13 178.429 0.3 . 1 . . . . 8 ALA C . 15079 1 46 . 1 1 8 8 ALA CA C 13 50.240 0.3 . 1 . . . . 8 ALA CA . 15079 1 47 . 1 1 8 8 ALA CB C 13 20.782 0.3 . 1 . . . . 8 ALA CB . 15079 1 48 . 1 1 8 8 ALA N N 15 127.879 0.3 . 1 . . . . 8 ALA N . 15079 1 49 . 1 1 9 9 THR H H 1 9.020 0.03 . 1 . . . . 9 THR H . 15079 1 50 . 1 1 9 9 THR HA H 1 5.069 0.03 . 1 . . . . 9 THR HA . 15079 1 51 . 1 1 9 9 THR HB H 1 4.799 0.03 . 1 . . . . 9 THR HB . 15079 1 52 . 1 1 9 9 THR HG21 H 1 1.018 0.03 . 1 . . . . 9 THR HG2 . 15079 1 53 . 1 1 9 9 THR HG22 H 1 1.018 0.03 . 1 . . . . 9 THR HG2 . 15079 1 54 . 1 1 9 9 THR HG23 H 1 1.018 0.03 . 1 . . . . 9 THR HG2 . 15079 1 55 . 1 1 9 9 THR C C 13 177.341 0.3 . 1 . . . . 9 THR C . 15079 1 56 . 1 1 9 9 THR CA C 13 60.982 0.3 . 1 . . . . 9 THR CA . 15079 1 57 . 1 1 9 9 THR CB C 13 70.447 0.3 . 1 . . . . 9 THR CB . 15079 1 58 . 1 1 9 9 THR CG2 C 13 22.004 0.3 . 1 . . . . 9 THR CG2 . 15079 1 59 . 1 1 9 9 THR N N 15 114.315 0.3 . 1 . . . . 9 THR N . 15079 1 60 . 1 1 10 10 LYS H H 1 8.683 0.03 . 1 . . . . 10 LYS H . 15079 1 61 . 1 1 10 10 LYS HA H 1 4.054 0.03 . 1 . . . . 10 LYS HA . 15079 1 62 . 1 1 10 10 LYS HB2 H 1 1.885 0.03 . 2 . . . . 10 LYS HB2 . 15079 1 63 . 1 1 10 10 LYS HB3 H 1 1.822 0.03 . 2 . . . . 10 LYS HB3 . 15079 1 64 . 1 1 10 10 LYS HG2 H 1 1.309 0.03 . 2 . . . . 10 LYS HG2 . 15079 1 65 . 1 1 10 10 LYS HG3 H 1 1.244 0.03 . 2 . . . . 10 LYS HG3 . 15079 1 66 . 1 1 10 10 LYS HD2 H 1 1.699 0.03 . 2 . . . . 10 LYS HD2 . 15079 1 67 . 1 1 10 10 LYS HD3 H 1 1.664 0.03 . 2 . . . . 10 LYS HD3 . 15079 1 68 . 1 1 10 10 LYS HE2 H 1 2.851 0.03 . 2 . . . . 10 LYS HE2 . 15079 1 69 . 1 1 10 10 LYS HE3 H 1 2.667 0.03 . 2 . . . . 10 LYS HE3 . 15079 1 70 . 1 1 10 10 LYS C C 13 177.111 0.3 . 1 . . . . 10 LYS C . 15079 1 71 . 1 1 10 10 LYS CA C 13 59.357 0.3 . 1 . . . . 10 LYS CA . 15079 1 72 . 1 1 10 10 LYS CB C 13 32.271 0.3 . 1 . . . . 10 LYS CB . 15079 1 73 . 1 1 10 10 LYS CG C 13 26.162 0.3 . 1 . . . . 10 LYS CG . 15079 1 74 . 1 1 10 10 LYS CD C 13 29.514 0.3 . 1 . . . . 10 LYS CD . 15079 1 75 . 1 1 10 10 LYS CE C 13 42.249 0.3 . 1 . . . . 10 LYS CE . 15079 1 76 . 1 1 10 10 LYS N N 15 122.355 0.3 . 1 . . . . 10 LYS N . 15079 1 77 . 1 1 11 11 ASP H H 1 8.251 0.03 . 1 . . . . 11 ASP H . 15079 1 78 . 1 1 11 11 ASP HA H 1 4.597 0.03 . 1 . . . . 11 ASP HA . 15079 1 79 . 1 1 11 11 ASP HB2 H 1 3.037 0.03 . 2 . . . . 11 ASP HB2 . 15079 1 80 . 1 1 11 11 ASP HB3 H 1 2.572 0.03 . 2 . . . . 11 ASP HB3 . 15079 1 81 . 1 1 11 11 ASP C C 13 176.403 0.3 . 1 . . . . 11 ASP C . 15079 1 82 . 1 1 11 11 ASP CA C 13 53.154 0.3 . 1 . . . . 11 ASP CA . 15079 1 83 . 1 1 11 11 ASP CB C 13 39.791 0.3 . 1 . . . . 11 ASP CB . 15079 1 84 . 1 1 11 11 ASP N N 15 114.829 0.3 . 1 . . . . 11 ASP N . 15079 1 85 . 1 1 12 12 GLY H H 1 7.674 0.03 . 1 . . . . 12 GLY H . 15079 1 86 . 1 1 12 12 GLY HA2 H 1 4.166 0.03 . 2 . . . . 12 GLY HA2 . 15079 1 87 . 1 1 12 12 GLY HA3 H 1 3.704 0.03 . 2 . . . . 12 GLY HA3 . 15079 1 88 . 1 1 12 12 GLY C C 13 174.903 0.3 . 1 . . . . 12 GLY C . 15079 1 89 . 1 1 12 12 GLY CA C 13 46.075 0.3 . 1 . . . . 12 GLY CA . 15079 1 90 . 1 1 12 12 GLY N N 15 106.800 0.3 . 1 . . . . 12 GLY N . 15079 1 91 . 1 1 13 13 ARG H H 1 7.684 0.03 . 1 . . . . 13 ARG H . 15079 1 92 . 1 1 13 13 ARG HA H 1 4.394 0.03 . 1 . . . . 13 ARG HA . 15079 1 93 . 1 1 13 13 ARG HB2 H 1 2.104 0.03 . 2 . . . . 13 ARG HB2 . 15079 1 94 . 1 1 13 13 ARG HB3 H 1 1.613 0.03 . 2 . . . . 13 ARG HB3 . 15079 1 95 . 1 1 13 13 ARG HG2 H 1 1.594 0.03 . 2 . . . . 13 ARG HG2 . 15079 1 96 . 1 1 13 13 ARG HG3 H 1 1.466 0.03 . 2 . . . . 13 ARG HG3 . 15079 1 97 . 1 1 13 13 ARG HD2 H 1 3.252 0.03 . 2 . . . . 13 ARG HD2 . 15079 1 98 . 1 1 13 13 ARG HD3 H 1 3.084 0.03 . 2 . . . . 13 ARG HD3 . 15079 1 99 . 1 1 13 13 ARG HE H 1 6.767 0.03 . 1 . . . . 13 ARG HE . 15079 1 100 . 1 1 13 13 ARG C C 13 175.725 0.3 . 1 . . . . 13 ARG C . 15079 1 101 . 1 1 13 13 ARG CA C 13 56.118 0.3 . 1 . . . . 13 ARG CA . 15079 1 102 . 1 1 13 13 ARG CB C 13 31.644 0.3 . 1 . . . . 13 ARG CB . 15079 1 103 . 1 1 13 13 ARG CG C 13 27.488 0.3 . 1 . . . . 13 ARG CG . 15079 1 104 . 1 1 13 13 ARG CD C 13 43.633 0.3 . 1 . . . . 13 ARG CD . 15079 1 105 . 1 1 13 13 ARG N N 15 119.957 0.3 . 1 . . . . 13 ARG N . 15079 1 106 . 1 1 13 13 ARG NE N 15 89.8 0.3 . 1 . . . . 13 ARG NE . 15079 1 107 . 1 1 14 14 MET H H 1 8.389 0.03 . 1 . . . . 14 MET H . 15079 1 108 . 1 1 14 14 MET HA H 1 5.175 0.03 . 1 . . . . 14 MET HA . 15079 1 109 . 1 1 14 14 MET HB2 H 1 1.993 0.03 . 2 . . . . 14 MET HB2 . 15079 1 110 . 1 1 14 14 MET HB3 H 1 1.585 0.03 . 2 . . . . 14 MET HB3 . 15079 1 111 . 1 1 14 14 MET HG2 H 1 2.604 0.03 . 2 . . . . 14 MET HG2 . 15079 1 112 . 1 1 14 14 MET HG3 H 1 2.381 0.03 . 2 . . . . 14 MET HG3 . 15079 1 113 . 1 1 14 14 MET HE1 H 1 1.965 0.03 . 1 . . . . 14 MET HE . 15079 1 114 . 1 1 14 14 MET HE2 H 1 1.965 0.03 . 1 . . . . 14 MET HE . 15079 1 115 . 1 1 14 14 MET HE3 H 1 1.965 0.03 . 1 . . . . 14 MET HE . 15079 1 116 . 1 1 14 14 MET C C 13 175.580 0.3 . 1 . . . . 14 MET C . 15079 1 117 . 1 1 14 14 MET CA C 13 53.638 0.3 . 1 . . . . 14 MET CA . 15079 1 118 . 1 1 14 14 MET CB C 13 33.111 0.3 . 1 . . . . 14 MET CB . 15079 1 119 . 1 1 14 14 MET CG C 13 32.376 0.3 . 1 . . . . 14 MET CG . 15079 1 120 . 1 1 14 14 MET CE C 13 17.724 0.3 . 1 . . . . 14 MET CE . 15079 1 121 . 1 1 14 14 MET N N 15 120.980 0.3 . 1 . . . . 14 MET N . 15079 1 122 . 1 1 15 15 ILE H H 1 9.304 0.03 . 1 . . . . 15 ILE H . 15079 1 123 . 1 1 15 15 ILE HA H 1 4.138 0.03 . 1 . . . . 15 ILE HA . 15079 1 124 . 1 1 15 15 ILE HB H 1 1.555 0.03 . 1 . . . . 15 ILE HB . 15079 1 125 . 1 1 15 15 ILE HG12 H 1 1.390 0.03 . 2 . . . . 15 ILE HG12 . 15079 1 126 . 1 1 15 15 ILE HG13 H 1 0.968 0.03 . 2 . . . . 15 ILE HG13 . 15079 1 127 . 1 1 15 15 ILE HG21 H 1 0.621 0.03 . 1 . . . . 15 ILE HG2 . 15079 1 128 . 1 1 15 15 ILE HG22 H 1 0.621 0.03 . 1 . . . . 15 ILE HG2 . 15079 1 129 . 1 1 15 15 ILE HG23 H 1 0.621 0.03 . 1 . . . . 15 ILE HG2 . 15079 1 130 . 1 1 15 15 ILE HD11 H 1 0.624 0.03 . 1 . . . . 15 ILE HD1 . 15079 1 131 . 1 1 15 15 ILE HD12 H 1 0.624 0.03 . 1 . . . . 15 ILE HD1 . 15079 1 132 . 1 1 15 15 ILE HD13 H 1 0.624 0.03 . 1 . . . . 15 ILE HD1 . 15079 1 133 . 1 1 15 15 ILE C C 13 174.831 0.3 . 1 . . . . 15 ILE C . 15079 1 134 . 1 1 15 15 ILE CA C 13 60.966 0.3 . 1 . . . . 15 ILE CA . 15079 1 135 . 1 1 15 15 ILE CB C 13 40.400 0.3 . 1 . . . . 15 ILE CB . 15079 1 136 . 1 1 15 15 ILE CG1 C 13 27.218 0.3 . 1 . . . . 15 ILE CG1 . 15079 1 137 . 1 1 15 15 ILE CG2 C 13 17.239 0.3 . 1 . . . . 15 ILE CG2 . 15079 1 138 . 1 1 15 15 ILE CD1 C 13 13.751 0.3 . 1 . . . . 15 ILE CD1 . 15079 1 139 . 1 1 15 15 ILE N N 15 126.279 0.3 . 1 . . . . 15 ILE N . 15079 1 140 . 1 1 16 16 LEU H H 1 8.568 0.03 . 1 . . . . 16 LEU H . 15079 1 141 . 1 1 16 16 LEU HA H 1 4.764 0.03 . 1 . . . . 16 LEU HA . 15079 1 142 . 1 1 16 16 LEU HB2 H 1 1.662 0.03 . 2 . . . . 16 LEU HB2 . 15079 1 143 . 1 1 16 16 LEU HB3 H 1 1.661 0.03 . 2 . . . . 16 LEU HB3 . 15079 1 144 . 1 1 16 16 LEU HG H 1 1.742 0.03 . 1 . . . . 16 LEU HG . 15079 1 145 . 1 1 16 16 LEU HD11 H 1 0.939 0.03 . 1 . . . . 16 LEU HD1 . 15079 1 146 . 1 1 16 16 LEU HD12 H 1 0.939 0.03 . 1 . . . . 16 LEU HD1 . 15079 1 147 . 1 1 16 16 LEU HD13 H 1 0.939 0.03 . 1 . . . . 16 LEU HD1 . 15079 1 148 . 1 1 16 16 LEU HD21 H 1 0.880 0.03 . 1 . . . . 16 LEU HD2 . 15079 1 149 . 1 1 16 16 LEU HD22 H 1 0.880 0.03 . 1 . . . . 16 LEU HD2 . 15079 1 150 . 1 1 16 16 LEU HD23 H 1 0.880 0.03 . 1 . . . . 16 LEU HD2 . 15079 1 151 . 1 1 16 16 LEU CA C 13 55.487 0.3 . 1 . . . . 16 LEU CA . 15079 1 152 . 1 1 16 16 LEU CB C 13 41.982 0.3 . 1 . . . . 16 LEU CB . 15079 1 153 . 1 1 16 16 LEU CG C 13 28.074 0.3 . 1 . . . . 16 LEU CG . 15079 1 154 . 1 1 16 16 LEU CD1 C 13 24.786 0.3 . 1 . . . . 16 LEU CD1 . 15079 1 155 . 1 1 16 16 LEU CD2 C 13 24.473 0.3 . 1 . . . . 16 LEU CD2 . 15079 1 156 . 1 1 16 16 LEU N N 15 130.0 0.3 . 1 . . . . 16 LEU N . 15079 1 157 . 1 1 17 17 THR H H 1 8.206 0.03 . 1 . . . . 17 THR H . 15079 1 158 . 1 1 17 17 THR HA H 1 5.212 0.03 . 1 . . . . 17 THR HA . 15079 1 159 . 1 1 17 17 THR HB H 1 4.637 0.03 . 1 . . . . 17 THR HB . 15079 1 160 . 1 1 17 17 THR HG1 H 1 5.586 0.03 . 1 . . . . 17 THR HG1 . 15079 1 161 . 1 1 17 17 THR HG21 H 1 0.859 0.03 . 1 . . . . 17 THR HG2 . 15079 1 162 . 1 1 17 17 THR HG22 H 1 0.859 0.03 . 1 . . . . 17 THR HG2 . 15079 1 163 . 1 1 17 17 THR HG23 H 1 0.859 0.03 . 1 . . . . 17 THR HG2 . 15079 1 164 . 1 1 17 17 THR C C 13 174.038 0.3 . 1 . . . . 17 THR C . 15079 1 165 . 1 1 17 17 THR CA C 13 60.391 0.3 . 1 . . . . 17 THR CA . 15079 1 166 . 1 1 17 17 THR CB C 13 70.128 0.3 . 1 . . . . 17 THR CB . 15079 1 167 . 1 1 17 17 THR CG2 C 13 21.892 0.3 . 1 . . . . 17 THR CG2 . 15079 1 168 . 1 1 17 17 THR N N 15 125.378 0.3 . 1 . . . . 17 THR N . 15079 1 169 . 1 1 18 18 ASP H H 1 8.444 0.03 . 1 . . . . 18 ASP H . 15079 1 170 . 1 1 18 18 ASP HA H 1 5.041 0.03 . 1 . . . . 18 ASP HA . 15079 1 171 . 1 1 18 18 ASP HB2 H 1 2.718 0.03 . 2 . . . . 18 ASP HB2 . 15079 1 172 . 1 1 18 18 ASP HB3 H 1 2.481 0.03 . 2 . . . . 18 ASP HB3 . 15079 1 173 . 1 1 18 18 ASP CA C 13 53.202 0.3 . 1 . . . . 18 ASP CA . 15079 1 174 . 1 1 18 18 ASP CB C 13 41.610 0.3 . 1 . . . . 18 ASP CB . 15079 1 175 . 1 1 18 18 ASP N N 15 122.074 0.3 . 1 . . . . 18 ASP N . 15079 1 176 . 1 1 19 19 GLY HA2 H 1 4.216 0.03 . 2 . . . . 19 GLY HA2 . 15079 1 177 . 1 1 19 19 GLY HA3 H 1 3.917 0.03 . 2 . . . . 19 GLY HA3 . 15079 1 178 . 1 1 19 19 GLY C C 13 172.903 0.3 . 1 . . . . 19 GLY C . 15079 1 179 . 1 1 19 19 GLY CA C 13 43.627 0.3 . 1 . . . . 19 GLY CA . 15079 1 180 . 1 1 20 20 LYS H H 1 8.294 0.03 . 1 . . . . 20 LYS H . 15079 1 181 . 1 1 20 20 LYS CA C 13 54.863 0.3 . 1 . . . . 20 LYS CA . 15079 1 182 . 1 1 20 20 LYS CB C 13 33.328 0.3 . 1 . . . . 20 LYS CB . 15079 1 183 . 1 1 20 20 LYS N N 15 123.488 0.3 . 1 . . . . 20 LYS N . 15079 1 184 . 1 1 21 21 PRO HA H 1 4.554 0.03 . 1 . . . . 21 PRO HA . 15079 1 185 . 1 1 21 21 PRO HB2 H 1 2.066 0.03 . 2 . . . . 21 PRO HB2 . 15079 1 186 . 1 1 21 21 PRO HB3 H 1 1.525 0.03 . 2 . . . . 21 PRO HB3 . 15079 1 187 . 1 1 21 21 PRO HG2 H 1 1.749 0.03 . 2 . . . . 21 PRO HG2 . 15079 1 188 . 1 1 21 21 PRO HG3 H 1 1.739 0.03 . 2 . . . . 21 PRO HG3 . 15079 1 189 . 1 1 21 21 PRO HD2 H 1 3.745 0.03 . 2 . . . . 21 PRO HD2 . 15079 1 190 . 1 1 21 21 PRO HD3 H 1 2.989 0.03 . 2 . . . . 21 PRO HD3 . 15079 1 191 . 1 1 21 21 PRO C C 13 174.885 0.3 . 1 . . . . 21 PRO C . 15079 1 192 . 1 1 21 21 PRO CA C 13 62.922 0.3 . 1 . . . . 21 PRO CA . 15079 1 193 . 1 1 21 21 PRO CB C 13 33.223 0.3 . 1 . . . . 21 PRO CB . 15079 1 194 . 1 1 21 21 PRO CG C 13 28.317 0.3 . 1 . . . . 21 PRO CG . 15079 1 195 . 1 1 21 21 PRO CD C 13 50.599 0.3 . 1 . . . . 21 PRO CD . 15079 1 196 . 1 1 22 22 GLU H H 1 8.758 0.03 . 1 . . . . 22 GLU H . 15079 1 197 . 1 1 22 22 GLU HA H 1 4.577 0.03 . 1 . . . . 22 GLU HA . 15079 1 198 . 1 1 22 22 GLU HB2 H 1 2.008 0.03 . 2 . . . . 22 GLU HB2 . 15079 1 199 . 1 1 22 22 GLU HB3 H 1 1.866 0.03 . 2 . . . . 22 GLU HB3 . 15079 1 200 . 1 1 22 22 GLU HG2 H 1 2.247 0.03 . 2 . . . . 22 GLU HG2 . 15079 1 201 . 1 1 22 22 GLU HG3 H 1 2.143 0.03 . 2 . . . . 22 GLU HG3 . 15079 1 202 . 1 1 22 22 GLU C C 13 174.974 0.3 . 1 . . . . 22 GLU C . 15079 1 203 . 1 1 22 22 GLU CA C 13 55.008 0.3 . 1 . . . . 22 GLU CA . 15079 1 204 . 1 1 22 22 GLU CB C 13 32.139 0.3 . 1 . . . . 22 GLU CB . 15079 1 205 . 1 1 22 22 GLU CG C 13 35.868 0.3 . 1 . . . . 22 GLU CG . 15079 1 206 . 1 1 22 22 GLU N N 15 121.885 0.3 . 1 . . . . 22 GLU N . 15079 1 207 . 1 1 23 23 ILE H H 1 8.875 0.03 . 1 . . . . 23 ILE H . 15079 1 208 . 1 1 23 23 ILE HA H 1 4.233 0.03 . 1 . . . . 23 ILE HA . 15079 1 209 . 1 1 23 23 ILE HB H 1 1.789 0.03 . 1 . . . . 23 ILE HB . 15079 1 210 . 1 1 23 23 ILE HG12 H 1 1.498 0.03 . 2 . . . . 23 ILE HG12 . 15079 1 211 . 1 1 23 23 ILE HG13 H 1 0.889 0.03 . 2 . . . . 23 ILE HG13 . 15079 1 212 . 1 1 23 23 ILE HG21 H 1 0.695 0.03 . 1 . . . . 23 ILE HG2 . 15079 1 213 . 1 1 23 23 ILE HG22 H 1 0.695 0.03 . 1 . . . . 23 ILE HG2 . 15079 1 214 . 1 1 23 23 ILE HG23 H 1 0.695 0.03 . 1 . . . . 23 ILE HG2 . 15079 1 215 . 1 1 23 23 ILE HD11 H 1 0.793 0.03 . 1 . . . . 23 ILE HD1 . 15079 1 216 . 1 1 23 23 ILE HD12 H 1 0.793 0.03 . 1 . . . . 23 ILE HD1 . 15079 1 217 . 1 1 23 23 ILE HD13 H 1 0.793 0.03 . 1 . . . . 23 ILE HD1 . 15079 1 218 . 1 1 23 23 ILE C C 13 174.986 0.3 . 1 . . . . 23 ILE C . 15079 1 219 . 1 1 23 23 ILE CA C 13 61.837 0.3 . 1 . . . . 23 ILE CA . 15079 1 220 . 1 1 23 23 ILE CB C 13 39.254 0.3 . 1 . . . . 23 ILE CB . 15079 1 221 . 1 1 23 23 ILE CG1 C 13 28.328 0.3 . 1 . . . . 23 ILE CG1 . 15079 1 222 . 1 1 23 23 ILE CG2 C 13 17.670 0.3 . 1 . . . . 23 ILE CG2 . 15079 1 223 . 1 1 23 23 ILE CD1 C 13 14.096 0.3 . 1 . . . . 23 ILE CD1 . 15079 1 224 . 1 1 23 23 ILE N N 15 125.321 0.3 . 1 . . . . 23 ILE N . 15079 1 225 . 1 1 24 24 ASP H H 1 8.348 0.03 . 1 . . . . 24 ASP H . 15079 1 226 . 1 1 24 24 ASP HA H 1 4.913 0.03 . 1 . . . . 24 ASP HA . 15079 1 227 . 1 1 24 24 ASP HB2 H 1 3.234 0.03 . 2 . . . . 24 ASP HB2 . 15079 1 228 . 1 1 24 24 ASP HB3 H 1 2.475 0.03 . 2 . . . . 24 ASP HB3 . 15079 1 229 . 1 1 24 24 ASP C C 13 176.338 0.3 . 1 . . . . 24 ASP C . 15079 1 230 . 1 1 24 24 ASP CA C 13 52.880 0.3 . 1 . . . . 24 ASP CA . 15079 1 231 . 1 1 24 24 ASP CB C 13 42.424 0.3 . 1 . . . . 24 ASP CB . 15079 1 232 . 1 1 24 24 ASP N N 15 128.520 0.3 . 1 . . . . 24 ASP N . 15079 1 233 . 1 1 25 25 ASP H H 1 8.953 0.03 . 1 . . . . 25 ASP H . 15079 1 234 . 1 1 25 25 ASP HA H 1 4.343 0.03 . 1 . . . . 25 ASP HA . 15079 1 235 . 1 1 25 25 ASP HB2 H 1 2.647 0.03 . 2 . . . . 25 ASP HB2 . 15079 1 236 . 1 1 25 25 ASP HB3 H 1 2.563 0.03 . 2 . . . . 25 ASP HB3 . 15079 1 237 . 1 1 25 25 ASP C C 13 177.434 0.3 . 1 . . . . 25 ASP C . 15079 1 238 . 1 1 25 25 ASP CA C 13 56.888 0.3 . 1 . . . . 25 ASP CA . 15079 1 239 . 1 1 25 25 ASP CB C 13 41.286 0.3 . 1 . . . . 25 ASP CB . 15079 1 240 . 1 1 25 25 ASP N N 15 125.996 0.3 . 1 . . . . 25 ASP N . 15079 1 241 . 1 1 26 26 ASP H H 1 8.640 0.03 . 1 . . . . 26 ASP H . 15079 1 242 . 1 1 26 26 ASP HA H 1 4.566 0.03 . 1 . . . . 26 ASP HA . 15079 1 243 . 1 1 26 26 ASP HB2 H 1 2.897 0.03 . 2 . . . . 26 ASP HB2 . 15079 1 244 . 1 1 26 26 ASP HB3 H 1 2.718 0.03 . 2 . . . . 26 ASP HB3 . 15079 1 245 . 1 1 26 26 ASP C C 13 178.040 0.3 . 1 . . . . 26 ASP C . 15079 1 246 . 1 1 26 26 ASP CA C 13 56.976 0.3 . 1 . . . . 26 ASP CA . 15079 1 247 . 1 1 26 26 ASP CB C 13 41.164 0.3 . 1 . . . . 26 ASP CB . 15079 1 248 . 1 1 26 26 ASP N N 15 118.710 0.3 . 1 . . . . 26 ASP N . 15079 1 249 . 1 1 27 27 THR H H 1 7.721 0.03 . 1 . . . . 27 THR H . 15079 1 250 . 1 1 27 27 THR HA H 1 4.294 0.03 . 1 . . . . 27 THR HA . 15079 1 251 . 1 1 27 27 THR HB H 1 4.249 0.03 . 1 . . . . 27 THR HB . 15079 1 252 . 1 1 27 27 THR HG21 H 1 1.196 0.03 . 1 . . . . 27 THR HG2 . 15079 1 253 . 1 1 27 27 THR HG22 H 1 1.196 0.03 . 1 . . . . 27 THR HG2 . 15079 1 254 . 1 1 27 27 THR HG23 H 1 1.196 0.03 . 1 . . . . 27 THR HG2 . 15079 1 255 . 1 1 27 27 THR C C 13 176.771 0.3 . 1 . . . . 27 THR C . 15079 1 256 . 1 1 27 27 THR CA C 13 61.921 0.3 . 1 . . . . 27 THR CA . 15079 1 257 . 1 1 27 27 THR CB C 13 70.390 0.3 . 1 . . . . 27 THR CB . 15079 1 258 . 1 1 27 27 THR CG2 C 13 21.561 0.3 . 1 . . . . 27 THR CG2 . 15079 1 259 . 1 1 27 27 THR N N 15 107.6 0.3 . 1 . . . . 27 THR N . 15079 1 260 . 1 1 28 28 GLY H H 1 8.213 0.03 . 1 . . . . 28 GLY H . 15079 1 261 . 1 1 28 28 GLY HA2 H 1 4.096 0.03 . 2 . . . . 28 GLY HA2 . 15079 1 262 . 1 1 28 28 GLY HA3 H 1 3.611 0.03 . 2 . . . . 28 GLY HA3 . 15079 1 263 . 1 1 28 28 GLY C C 13 173.499 0.3 . 1 . . . . 28 GLY C . 15079 1 264 . 1 1 28 28 GLY CA C 13 46.366 0.3 . 1 . . . . 28 GLY CA . 15079 1 265 . 1 1 28 28 GLY N N 15 110.590 0.3 . 1 . . . . 28 GLY N . 15079 1 266 . 1 1 29 29 LEU H H 1 7.684 0.03 . 1 . . . . 29 LEU H . 15079 1 267 . 1 1 29 29 LEU HA H 1 4.784 0.03 . 1 . . . . 29 LEU HA . 15079 1 268 . 1 1 29 29 LEU HB2 H 1 1.716 0.03 . 2 . . . . 29 LEU HB2 . 15079 1 269 . 1 1 29 29 LEU HB3 H 1 1.086 0.03 . 2 . . . . 29 LEU HB3 . 15079 1 270 . 1 1 29 29 LEU HG H 1 1.448 0.03 . 1 . . . . 29 LEU HG . 15079 1 271 . 1 1 29 29 LEU HD11 H 1 0.790 0.03 . 1 . . . . 29 LEU HD1 . 15079 1 272 . 1 1 29 29 LEU HD12 H 1 0.790 0.03 . 1 . . . . 29 LEU HD1 . 15079 1 273 . 1 1 29 29 LEU HD13 H 1 0.790 0.03 . 1 . . . . 29 LEU HD1 . 15079 1 274 . 1 1 29 29 LEU HD21 H 1 0.753 0.03 . 1 . . . . 29 LEU HD2 . 15079 1 275 . 1 1 29 29 LEU HD22 H 1 0.753 0.03 . 1 . . . . 29 LEU HD2 . 15079 1 276 . 1 1 29 29 LEU HD23 H 1 0.753 0.03 . 1 . . . . 29 LEU HD2 . 15079 1 277 . 1 1 29 29 LEU C C 13 176.049 0.3 . 1 . . . . 29 LEU C . 15079 1 278 . 1 1 29 29 LEU CA C 13 54.524 0.3 . 1 . . . . 29 LEU CA . 15079 1 279 . 1 1 29 29 LEU CB C 13 44.832 0.3 . 1 . . . . 29 LEU CB . 15079 1 280 . 1 1 29 29 LEU CG C 13 26.400 0.3 . 1 . . . . 29 LEU CG . 15079 1 281 . 1 1 29 29 LEU CD1 C 13 24.728 0.3 . 1 . . . . 29 LEU CD1 . 15079 1 282 . 1 1 29 29 LEU CD2 C 13 23.324 0.3 . 1 . . . . 29 LEU CD2 . 15079 1 283 . 1 1 29 29 LEU N N 15 120.068 0.3 . 1 . . . . 29 LEU N . 15079 1 284 . 1 1 30 30 VAL H H 1 9.275 0.03 . 1 . . . . 30 VAL H . 15079 1 285 . 1 1 30 30 VAL HA H 1 4.737 0.03 . 1 . . . . 30 VAL HA . 15079 1 286 . 1 1 30 30 VAL HB H 1 2.213 0.03 . 1 . . . . 30 VAL HB . 15079 1 287 . 1 1 30 30 VAL HG11 H 1 0.755 0.03 . 1 . . . . 30 VAL HG1 . 15079 1 288 . 1 1 30 30 VAL HG12 H 1 0.755 0.03 . 1 . . . . 30 VAL HG1 . 15079 1 289 . 1 1 30 30 VAL HG13 H 1 0.755 0.03 . 1 . . . . 30 VAL HG1 . 15079 1 290 . 1 1 30 30 VAL HG21 H 1 0.758 0.03 . 1 . . . . 30 VAL HG2 . 15079 1 291 . 1 1 30 30 VAL HG22 H 1 0.758 0.03 . 1 . . . . 30 VAL HG2 . 15079 1 292 . 1 1 30 30 VAL HG23 H 1 0.758 0.03 . 1 . . . . 30 VAL HG2 . 15079 1 293 . 1 1 30 30 VAL C C 13 175.772 0.3 . 1 . . . . 30 VAL C . 15079 1 294 . 1 1 30 30 VAL CA C 13 61.100 0.3 . 1 . . . . 30 VAL CA . 15079 1 295 . 1 1 30 30 VAL CB C 13 31.779 0.3 . 1 . . . . 30 VAL CB . 15079 1 296 . 1 1 30 30 VAL CG1 C 13 21.537 0.3 . 1 . . . . 30 VAL CG1 . 15079 1 297 . 1 1 30 30 VAL CG2 C 13 20.937 0.3 . 1 . . . . 30 VAL CG2 . 15079 1 298 . 1 1 30 30 VAL N N 15 124.778 0.3 . 1 . . . . 30 VAL N . 15079 1 299 . 1 1 31 31 SER H H 1 9.242 0.03 . 1 . . . . 31 SER H . 15079 1 300 . 1 1 31 31 SER HA H 1 5.312 0.03 . 1 . . . . 31 SER HA . 15079 1 301 . 1 1 31 31 SER HB2 H 1 3.959 0.03 . 2 . . . . 31 SER HB2 . 15079 1 302 . 1 1 31 31 SER HB3 H 1 3.833 0.03 . 2 . . . . 31 SER HB3 . 15079 1 303 . 1 1 31 31 SER C C 13 173.086 0.3 . 1 . . . . 31 SER C . 15079 1 304 . 1 1 31 31 SER CA C 13 57.648 0.3 . 1 . . . . 31 SER CA . 15079 1 305 . 1 1 31 31 SER CB C 13 64.530 0.3 . 1 . . . . 31 SER CB . 15079 1 306 . 1 1 31 31 SER N N 15 123.288 0.3 . 1 . . . . 31 SER N . 15079 1 307 . 1 1 32 32 TYR H H 1 8.692 0.03 . 1 . . . . 32 TYR H . 15079 1 308 . 1 1 32 32 TYR HA H 1 5.016 0.03 . 1 . . . . 32 TYR HA . 15079 1 309 . 1 1 32 32 TYR HB2 H 1 2.959 0.03 . 2 . . . . 32 TYR HB2 . 15079 1 310 . 1 1 32 32 TYR HB3 H 1 2.716 0.03 . 2 . . . . 32 TYR HB3 . 15079 1 311 . 1 1 32 32 TYR HD1 H 1 6.629 0.03 . 1 . . . . 32 TYR HD1 . 15079 1 312 . 1 1 32 32 TYR HD2 H 1 6.629 0.03 . 1 . . . . 32 TYR HD2 . 15079 1 313 . 1 1 32 32 TYR HE1 H 1 6.281 0.03 . 1 . . . . 32 TYR HE1 . 15079 1 314 . 1 1 32 32 TYR HE2 H 1 6.281 0.03 . 1 . . . . 32 TYR HE2 . 15079 1 315 . 1 1 32 32 TYR C C 13 172.432 0.3 . 1 . . . . 32 TYR C . 15079 1 316 . 1 1 32 32 TYR CA C 13 55.730 0.3 . 1 . . . . 32 TYR CA . 15079 1 317 . 1 1 32 32 TYR CB C 13 40.144 0.3 . 1 . . . . 32 TYR CB . 15079 1 318 . 1 1 32 32 TYR CD1 C 13 133.831 0.3 . 1 . . . . 32 TYR CD1 . 15079 1 319 . 1 1 32 32 TYR CD2 C 13 133.831 0.3 . 1 . . . . 32 TYR CD2 . 15079 1 320 . 1 1 32 32 TYR CE1 C 13 117.376 0.3 . 1 . . . . 32 TYR CE1 . 15079 1 321 . 1 1 32 32 TYR CE2 C 13 117.376 0.3 . 1 . . . . 32 TYR CE2 . 15079 1 322 . 1 1 32 32 TYR N N 15 121.184 0.3 . 1 . . . . 32 TYR N . 15079 1 323 . 1 1 33 33 HIS H H 1 8.921 0.03 . 1 . . . . 33 HIS H . 15079 1 324 . 1 1 33 33 HIS HA H 1 5.475 0.03 . 1 . . . . 33 HIS HA . 15079 1 325 . 1 1 33 33 HIS HB2 H 1 3.346 0.03 . 2 . . . . 33 HIS HB2 . 15079 1 326 . 1 1 33 33 HIS HB3 H 1 2.957 0.03 . 2 . . . . 33 HIS HB3 . 15079 1 327 . 1 1 33 33 HIS HD2 H 1 6.984 0.03 . 1 . . . . 33 HIS HD2 . 15079 1 328 . 1 1 33 33 HIS C C 13 175.665 0.3 . 1 . . . . 33 HIS C . 15079 1 329 . 1 1 33 33 HIS CA C 13 54.225 0.3 . 1 . . . . 33 HIS CA . 15079 1 330 . 1 1 33 33 HIS CB C 13 31.029 0.3 . 1 . . . . 33 HIS CB . 15079 1 331 . 1 1 33 33 HIS CD2 C 13 118.966 0.3 . 1 . . . . 33 HIS CD2 . 15079 1 332 . 1 1 33 33 HIS N N 15 117.826 0.3 . 1 . . . . 33 HIS N . 15079 1 333 . 1 1 34 34 ASP H H 1 8.505 0.03 . 1 . . . . 34 ASP H . 15079 1 334 . 1 1 34 34 ASP HA H 1 4.874 0.03 . 1 . . . . 34 ASP HA . 15079 1 335 . 1 1 34 34 ASP HB2 H 1 3.697 0.03 . 2 . . . . 34 ASP HB2 . 15079 1 336 . 1 1 34 34 ASP HB3 H 1 2.739 0.03 . 2 . . . . 34 ASP HB3 . 15079 1 337 . 1 1 34 34 ASP C C 13 176.933 0.3 . 1 . . . . 34 ASP C . 15079 1 338 . 1 1 34 34 ASP CA C 13 52.764 0.3 . 1 . . . . 34 ASP CA . 15079 1 339 . 1 1 34 34 ASP CB C 13 40.966 0.3 . 1 . . . . 34 ASP CB . 15079 1 340 . 1 1 34 34 ASP N N 15 122.972 0.3 . 1 . . . . 34 ASP N . 15079 1 341 . 1 1 35 35 GLN H H 1 8.548 0.03 . 1 . . . . 35 GLN H . 15079 1 342 . 1 1 35 35 GLN HA H 1 4.100 0.03 . 1 . . . . 35 GLN HA . 15079 1 343 . 1 1 35 35 GLN HB2 H 1 2.182 0.03 . 2 . . . . 35 GLN HB2 . 15079 1 344 . 1 1 35 35 GLN HB3 H 1 2.078 0.03 . 2 . . . . 35 GLN HB3 . 15079 1 345 . 1 1 35 35 GLN HG2 H 1 2.399 0.03 . 2 . . . . 35 GLN HG2 . 15079 1 346 . 1 1 35 35 GLN HG3 H 1 2.326 0.03 . 2 . . . . 35 GLN HG3 . 15079 1 347 . 1 1 35 35 GLN HE21 H 1 7.619 0.03 . 2 . . . . 35 GLN HE21 . 15079 1 348 . 1 1 35 35 GLN HE22 H 1 6.968 0.03 . 2 . . . . 35 GLN HE22 . 15079 1 349 . 1 1 35 35 GLN C C 13 176.908 0.3 . 1 . . . . 35 GLN C . 15079 1 350 . 1 1 35 35 GLN CA C 13 58.754 0.3 . 1 . . . . 35 GLN CA . 15079 1 351 . 1 1 35 35 GLN CB C 13 28.649 0.3 . 1 . . . . 35 GLN CB . 15079 1 352 . 1 1 35 35 GLN CG C 13 35.004 0.3 . 1 . . . . 35 GLN CG . 15079 1 353 . 1 1 35 35 GLN N N 15 114.399 0.3 . 1 . . . . 35 GLN N . 15079 1 354 . 1 1 35 35 GLN NE2 N 15 113.422 0.3 . 1 . . . . 35 GLN NE2 . 15079 1 355 . 1 1 36 36 GLN H H 1 8.008 0.03 . 1 . . . . 36 GLN H . 15079 1 356 . 1 1 36 36 GLN HA H 1 4.422 0.03 . 1 . . . . 36 GLN HA . 15079 1 357 . 1 1 36 36 GLN HB2 H 1 2.313 0.03 . 2 . . . . 36 GLN HB2 . 15079 1 358 . 1 1 36 36 GLN HB3 H 1 2.046 0.03 . 2 . . . . 36 GLN HB3 . 15079 1 359 . 1 1 36 36 GLN HG2 H 1 2.394 0.03 . 2 . . . . 36 GLN HG2 . 15079 1 360 . 1 1 36 36 GLN HG3 H 1 2.323 0.03 . 2 . . . . 36 GLN HG3 . 15079 1 361 . 1 1 36 36 GLN HE21 H 1 7.563 0.03 . 2 . . . . 36 GLN HE21 . 15079 1 362 . 1 1 36 36 GLN HE22 H 1 6.844 0.03 . 2 . . . . 36 GLN HE22 . 15079 1 363 . 1 1 36 36 GLN C C 13 175.865 0.3 . 1 . . . . 36 GLN C . 15079 1 364 . 1 1 36 36 GLN CA C 13 55.983 0.3 . 1 . . . . 36 GLN CA . 15079 1 365 . 1 1 36 36 GLN CB C 13 29.277 0.3 . 1 . . . . 36 GLN CB . 15079 1 366 . 1 1 36 36 GLN CG C 13 35.088 0.3 . 1 . . . . 36 GLN CG . 15079 1 367 . 1 1 36 36 GLN N N 15 117.484 0.3 . 1 . . . . 36 GLN N . 15079 1 368 . 1 1 36 36 GLN NE2 N 15 112.386 0.3 . 1 . . . . 36 GLN NE2 . 15079 1 369 . 1 1 37 37 GLY H H 1 8.122 0.03 . 1 . . . . 37 GLY H . 15079 1 370 . 1 1 37 37 GLY HA2 H 1 4.234 0.03 . 2 . . . . 37 GLY HA2 . 15079 1 371 . 1 1 37 37 GLY HA3 H 1 3.762 0.03 . 2 . . . . 37 GLY HA3 . 15079 1 372 . 1 1 37 37 GLY C C 13 174.901 0.3 . 1 . . . . 37 GLY C . 15079 1 373 . 1 1 37 37 GLY CA C 13 45.476 0.3 . 1 . . . . 37 GLY CA . 15079 1 374 . 1 1 37 37 GLY N N 15 108.368 0.3 . 1 . . . . 37 GLY N . 15079 1 375 . 1 1 38 38 ASN H H 1 8.818 0.03 . 1 . . . . 38 ASN H . 15079 1 376 . 1 1 38 38 ASN HA H 1 4.559 0.03 . 1 . . . . 38 ASN HA . 15079 1 377 . 1 1 38 38 ASN HB2 H 1 2.784 0.03 . 2 . . . . 38 ASN HB2 . 15079 1 378 . 1 1 38 38 ASN HB3 H 1 2.440 0.03 . 2 . . . . 38 ASN HB3 . 15079 1 379 . 1 1 38 38 ASN HD21 H 1 8.840 0.03 . 2 . . . . 38 ASN HD21 . 15079 1 380 . 1 1 38 38 ASN HD22 H 1 7.155 0.03 . 2 . . . . 38 ASN HD22 . 15079 1 381 . 1 1 38 38 ASN C C 13 174.871 0.3 . 1 . . . . 38 ASN C . 15079 1 382 . 1 1 38 38 ASN CA C 13 53.644 0.3 . 1 . . . . 38 ASN CA . 15079 1 383 . 1 1 38 38 ASN CB C 13 38.819 0.3 . 1 . . . . 38 ASN CB . 15079 1 384 . 1 1 38 38 ASN N N 15 121.219 0.3 . 1 . . . . 38 ASN N . 15079 1 385 . 1 1 38 38 ASN ND2 N 15 120.061 0.3 . 1 . . . . 38 ASN ND2 . 15079 1 386 . 1 1 39 39 ALA H H 1 8.696 0.03 . 1 . . . . 39 ALA H . 15079 1 387 . 1 1 39 39 ALA HA H 1 3.971 0.03 . 1 . . . . 39 ALA HA . 15079 1 388 . 1 1 39 39 ALA HB1 H 1 1.206 0.03 . 1 . . . . 39 ALA HB . 15079 1 389 . 1 1 39 39 ALA HB2 H 1 1.206 0.03 . 1 . . . . 39 ALA HB . 15079 1 390 . 1 1 39 39 ALA HB3 H 1 1.206 0.03 . 1 . . . . 39 ALA HB . 15079 1 391 . 1 1 39 39 ALA C C 13 176.345 0.3 . 1 . . . . 39 ALA C . 15079 1 392 . 1 1 39 39 ALA CA C 13 52.473 0.3 . 1 . . . . 39 ALA CA . 15079 1 393 . 1 1 39 39 ALA CB C 13 18.223 0.3 . 1 . . . . 39 ALA CB . 15079 1 394 . 1 1 39 39 ALA N N 15 126.575 0.3 . 1 . . . . 39 ALA N . 15079 1 395 . 1 1 40 40 MET H H 1 8.490 0.03 . 1 . . . . 40 MET H . 15079 1 396 . 1 1 40 40 MET HA H 1 4.641 0.03 . 1 . . . . 40 MET HA . 15079 1 397 . 1 1 40 40 MET HB2 H 1 1.471 0.03 . 2 . . . . 40 MET HB2 . 15079 1 398 . 1 1 40 40 MET HB3 H 1 0.169 0.03 . 2 . . . . 40 MET HB3 . 15079 1 399 . 1 1 40 40 MET HG2 H 1 2.155 0.03 . 2 . . . . 40 MET HG2 . 15079 1 400 . 1 1 40 40 MET HG3 H 1 2.058 0.03 . 2 . . . . 40 MET HG3 . 15079 1 401 . 1 1 40 40 MET HE1 H 1 2.055 0.03 . 1 . . . . 40 MET HE . 15079 1 402 . 1 1 40 40 MET HE2 H 1 2.055 0.03 . 1 . . . . 40 MET HE . 15079 1 403 . 1 1 40 40 MET HE3 H 1 2.055 0.03 . 1 . . . . 40 MET HE . 15079 1 404 . 1 1 40 40 MET CA C 13 53.137 0.3 . 1 . . . . 40 MET CA . 15079 1 405 . 1 1 40 40 MET CB C 13 35.868 0.3 . 1 . . . . 40 MET CB . 15079 1 406 . 1 1 40 40 MET CG C 13 32.139 0.3 . 1 . . . . 40 MET CG . 15079 1 407 . 1 1 40 40 MET CE C 13 17.369 0.3 . 1 . . . . 40 MET CE . 15079 1 408 . 1 1 40 40 MET N N 15 123.533 0.3 . 1 . . . . 40 MET N . 15079 1 409 . 1 1 41 41 GLN H H 1 8.180 0.03 . 1 . . . . 41 GLN H . 15079 1 410 . 1 1 41 41 GLN HA H 1 5.675 0.03 . 1 . . . . 41 GLN HA . 15079 1 411 . 1 1 41 41 GLN HB2 H 1 1.865 0.03 . 2 . . . . 41 GLN HB2 . 15079 1 412 . 1 1 41 41 GLN HB3 H 1 1.863 0.03 . 2 . . . . 41 GLN HB3 . 15079 1 413 . 1 1 41 41 GLN HG2 H 1 2.296 0.03 . 2 . . . . 41 GLN HG2 . 15079 1 414 . 1 1 41 41 GLN HG3 H 1 2.216 0.03 . 2 . . . . 41 GLN HG3 . 15079 1 415 . 1 1 41 41 GLN HE21 H 1 7.355 0.03 . 2 . . . . 41 GLN HE21 . 15079 1 416 . 1 1 41 41 GLN HE22 H 1 6.761 0.03 . 2 . . . . 41 GLN HE22 . 15079 1 417 . 1 1 41 41 GLN C C 13 175.023 0.3 . 1 . . . . 41 GLN C . 15079 1 418 . 1 1 41 41 GLN CA C 13 54.506 0.3 . 1 . . . . 41 GLN CA . 15079 1 419 . 1 1 41 41 GLN CB C 13 33.595 0.3 . 1 . . . . 41 GLN CB . 15079 1 420 . 1 1 41 41 GLN CG C 13 34.315 0.3 . 1 . . . . 41 GLN CG . 15079 1 421 . 1 1 41 41 GLN N N 15 116.554 0.3 . 1 . . . . 41 GLN N . 15079 1 422 . 1 1 41 41 GLN NE2 N 15 112.320 0.3 . 1 . . . . 41 GLN NE2 . 15079 1 423 . 1 1 42 42 ILE H H 1 9.081 0.03 . 1 . . . . 42 ILE H . 15079 1 424 . 1 1 42 42 ILE HA H 1 4.632 0.03 . 1 . . . . 42 ILE HA . 15079 1 425 . 1 1 42 42 ILE HB H 1 1.927 0.03 . 1 . . . . 42 ILE HB . 15079 1 426 . 1 1 42 42 ILE HG12 H 1 1.768 0.03 . 2 . . . . 42 ILE HG12 . 15079 1 427 . 1 1 42 42 ILE HG13 H 1 1.353 0.03 . 2 . . . . 42 ILE HG13 . 15079 1 428 . 1 1 42 42 ILE HG21 H 1 0.715 0.03 . 1 . . . . 42 ILE HG2 . 15079 1 429 . 1 1 42 42 ILE HG22 H 1 0.715 0.03 . 1 . . . . 42 ILE HG2 . 15079 1 430 . 1 1 42 42 ILE HG23 H 1 0.715 0.03 . 1 . . . . 42 ILE HG2 . 15079 1 431 . 1 1 42 42 ILE HD11 H 1 0.747 0.03 . 1 . . . . 42 ILE HD1 . 15079 1 432 . 1 1 42 42 ILE HD12 H 1 0.747 0.03 . 1 . . . . 42 ILE HD1 . 15079 1 433 . 1 1 42 42 ILE HD13 H 1 0.747 0.03 . 1 . . . . 42 ILE HD1 . 15079 1 434 . 1 1 42 42 ILE C C 13 172.557 0.3 . 1 . . . . 42 ILE C . 15079 1 435 . 1 1 42 42 ILE CA C 13 59.994 0.3 . 1 . . . . 42 ILE CA . 15079 1 436 . 1 1 42 42 ILE CB C 13 42.423 0.3 . 1 . . . . 42 ILE CB . 15079 1 437 . 1 1 42 42 ILE CG1 C 13 28.013 0.3 . 1 . . . . 42 ILE CG1 . 15079 1 438 . 1 1 42 42 ILE CG2 C 13 16.184 0.3 . 1 . . . . 42 ILE CG2 . 15079 1 439 . 1 1 42 42 ILE CD1 C 13 14.268 0.3 . 1 . . . . 42 ILE CD1 . 15079 1 440 . 1 1 42 42 ILE N N 15 121.235 0.3 . 1 . . . . 42 ILE N . 15079 1 441 . 1 1 43 43 ASN H H 1 8.833 0.03 . 1 . . . . 43 ASN H . 15079 1 442 . 1 1 43 43 ASN HA H 1 4.671 0.03 . 1 . . . . 43 ASN HA . 15079 1 443 . 1 1 43 43 ASN HB2 H 1 2.875 0.03 . 2 . . . . 43 ASN HB2 . 15079 1 444 . 1 1 43 43 ASN HB3 H 1 2.801 0.03 . 2 . . . . 43 ASN HB3 . 15079 1 445 . 1 1 43 43 ASN HD21 H 1 7.744 0.03 . 2 . . . . 43 ASN HD21 . 15079 1 446 . 1 1 43 43 ASN HD22 H 1 6.938 0.03 . 2 . . . . 43 ASN HD22 . 15079 1 447 . 1 1 43 43 ASN C C 13 176.917 0.3 . 1 . . . . 43 ASN C . 15079 1 448 . 1 1 43 43 ASN CA C 13 54.732 0.3 . 1 . . . . 43 ASN CA . 15079 1 449 . 1 1 43 43 ASN CB C 13 38.351 0.3 . 1 . . . . 43 ASN CB . 15079 1 450 . 1 1 43 43 ASN N N 15 125.983 0.3 . 1 . . . . 43 ASN N . 15079 1 451 . 1 1 43 43 ASN ND2 N 15 112.728 0.3 . 1 . . . . 43 ASN ND2 . 15079 1 452 . 1 1 44 44 ARG H H 1 9.012 0.03 . 1 . . . . 44 ARG H . 15079 1 453 . 1 1 44 44 ARG HA H 1 3.717 0.03 . 1 . . . . 44 ARG HA . 15079 1 454 . 1 1 44 44 ARG HB2 H 1 1.667 0.03 . 2 . . . . 44 ARG HB2 . 15079 1 455 . 1 1 44 44 ARG HB3 H 1 1.673 0.03 . 2 . . . . 44 ARG HB3 . 15079 1 456 . 1 1 44 44 ARG HG2 H 1 1.795 0.03 . 1 . . . . 44 ARG HG2 . 15079 1 457 . 1 1 44 44 ARG HG3 H 1 1.795 0.03 . 1 . . . . 44 ARG HG3 . 15079 1 458 . 1 1 44 44 ARG HD2 H 1 3.067 0.03 . 2 . . . . 44 ARG HD2 . 15079 1 459 . 1 1 44 44 ARG HD3 H 1 3.012 0.03 . 2 . . . . 44 ARG HD3 . 15079 1 460 . 1 1 44 44 ARG HE H 1 6.767 0.03 . 1 . . . . 44 ARG HE . 15079 1 461 . 1 1 44 44 ARG CA C 13 59.588 0.3 . 1 . . . . 44 ARG CA . 15079 1 462 . 1 1 44 44 ARG CB C 13 29.543 0.3 . 1 . . . . 44 ARG CB . 15079 1 463 . 1 1 44 44 ARG CG C 13 26.388 0.3 . 1 . . . . 44 ARG CG . 15079 1 464 . 1 1 44 44 ARG CD C 13 43.682 0.3 . 1 . . . . 44 ARG CD . 15079 1 465 . 1 1 44 44 ARG N N 15 126.736 0.3 . 1 . . . . 44 ARG N . 15079 1 466 . 1 1 44 44 ARG NE N 15 89.8 0.3 . 1 . . . . 44 ARG NE . 15079 1 467 . 1 1 45 45 ASP H H 1 8.777 0.03 . 1 . . . . 45 ASP H . 15079 1 468 . 1 1 45 45 ASP HA H 1 4.375 0.03 . 1 . . . . 45 ASP HA . 15079 1 469 . 1 1 45 45 ASP HB2 H 1 2.643 0.03 . 2 . . . . 45 ASP HB2 . 15079 1 470 . 1 1 45 45 ASP HB3 H 1 2.465 0.03 . 2 . . . . 45 ASP HB3 . 15079 1 471 . 1 1 45 45 ASP C C 13 176.180 0.3 . 1 . . . . 45 ASP C . 15079 1 472 . 1 1 45 45 ASP CA C 13 56.563 0.3 . 1 . . . . 45 ASP CA . 15079 1 473 . 1 1 45 45 ASP CB C 13 40.550 0.3 . 1 . . . . 45 ASP CB . 15079 1 474 . 1 1 45 45 ASP N N 15 116.496 0.3 . 1 . . . . 45 ASP N . 15079 1 475 . 1 1 46 46 ASP H H 1 7.742 0.03 . 1 . . . . 46 ASP H . 15079 1 476 . 1 1 46 46 ASP HA H 1 4.713 0.03 . 1 . . . . 46 ASP HA . 15079 1 477 . 1 1 46 46 ASP HB2 H 1 2.899 0.03 . 2 . . . . 46 ASP HB2 . 15079 1 478 . 1 1 46 46 ASP HB3 H 1 2.810 0.03 . 2 . . . . 46 ASP HB3 . 15079 1 479 . 1 1 46 46 ASP CA C 13 55.141 0.3 . 1 . . . . 46 ASP CA . 15079 1 480 . 1 1 46 46 ASP CB C 13 41.579 0.3 . 1 . . . . 46 ASP CB . 15079 1 481 . 1 1 46 46 ASP N N 15 116.007 0.3 . 1 . . . . 46 ASP N . 15079 1 482 . 1 1 47 47 VAL H H 1 7.845 0.03 . 1 . . . . 47 VAL H . 15079 1 483 . 1 1 47 47 VAL HA H 1 3.865 0.03 . 1 . . . . 47 VAL HA . 15079 1 484 . 1 1 47 47 VAL HB H 1 2.151 0.03 . 1 . . . . 47 VAL HB . 15079 1 485 . 1 1 47 47 VAL HG11 H 1 0.814 0.03 . 1 . . . . 47 VAL HG1 . 15079 1 486 . 1 1 47 47 VAL HG12 H 1 0.814 0.03 . 1 . . . . 47 VAL HG1 . 15079 1 487 . 1 1 47 47 VAL HG13 H 1 0.814 0.03 . 1 . . . . 47 VAL HG1 . 15079 1 488 . 1 1 47 47 VAL HG21 H 1 0.740 0.03 . 1 . . . . 47 VAL HG2 . 15079 1 489 . 1 1 47 47 VAL HG22 H 1 0.740 0.03 . 1 . . . . 47 VAL HG2 . 15079 1 490 . 1 1 47 47 VAL HG23 H 1 0.740 0.03 . 1 . . . . 47 VAL HG2 . 15079 1 491 . 1 1 47 47 VAL CA C 13 63.683 0.3 . 1 . . . . 47 VAL CA . 15079 1 492 . 1 1 47 47 VAL CB C 13 33.102 0.3 . 1 . . . . 47 VAL CB . 15079 1 493 . 1 1 47 47 VAL CG1 C 13 22.985 0.3 . 1 . . . . 47 VAL CG1 . 15079 1 494 . 1 1 47 47 VAL CG2 C 13 22.730 0.3 . 1 . . . . 47 VAL CG2 . 15079 1 495 . 1 1 47 47 VAL N N 15 122.763 0.3 . 1 . . . . 47 VAL N . 15079 1 496 . 1 1 48 48 SER H H 1 9.168 0.03 . 1 . . . . 48 SER H . 15079 1 497 . 1 1 48 48 SER HA H 1 4.674 0.03 . 1 . . . . 48 SER HA . 15079 1 498 . 1 1 48 48 SER HB2 H 1 3.643 0.03 . 2 . . . . 48 SER HB2 . 15079 1 499 . 1 1 48 48 SER HB3 H 1 3.566 0.03 . 2 . . . . 48 SER HB3 . 15079 1 500 . 1 1 48 48 SER CA C 13 58.815 0.3 . 1 . . . . 48 SER CA . 15079 1 501 . 1 1 48 48 SER CB C 13 64.396 0.3 . 1 . . . . 48 SER CB . 15079 1 502 . 1 1 48 48 SER N N 15 120.109 0.3 . 1 . . . . 48 SER N . 15079 1 503 . 1 1 49 49 GLN H H 1 7.919 0.03 . 1 . . . . 49 GLN H . 15079 1 504 . 1 1 49 49 GLN N N 15 116.294 0.3 . 1 . . . . 49 GLN N . 15079 1 505 . 1 1 50 50 ILE HA H 1 4.573 0.03 . 1 . . . . 50 ILE HA . 15079 1 506 . 1 1 50 50 ILE HG21 H 1 0.949 0.03 . 1 . . . . 50 ILE HG2 . 15079 1 507 . 1 1 50 50 ILE HG22 H 1 0.949 0.03 . 1 . . . . 50 ILE HG2 . 15079 1 508 . 1 1 50 50 ILE HG23 H 1 0.949 0.03 . 1 . . . . 50 ILE HG2 . 15079 1 509 . 1 1 50 50 ILE HD11 H 1 0.748 0.03 . 1 . . . . 50 ILE HD1 . 15079 1 510 . 1 1 50 50 ILE HD12 H 1 0.748 0.03 . 1 . . . . 50 ILE HD1 . 15079 1 511 . 1 1 50 50 ILE HD13 H 1 0.748 0.03 . 1 . . . . 50 ILE HD1 . 15079 1 512 . 1 1 50 50 ILE CA C 13 61.632 0.3 . 1 . . . . 50 ILE CA . 15079 1 513 . 1 1 50 50 ILE CB C 13 39.408 0.3 . 1 . . . . 50 ILE CB . 15079 1 514 . 1 1 50 50 ILE CG1 C 13 28.155 0.3 . 1 . . . . 50 ILE CG1 . 15079 1 515 . 1 1 50 50 ILE CG2 C 13 17.962 0.3 . 1 . . . . 50 ILE CG2 . 15079 1 516 . 1 1 50 50 ILE CD1 C 13 13.225 0.3 . 1 . . . . 50 ILE CD1 . 15079 1 517 . 1 1 51 51 ILE HA H 1 4.483 0.03 . 1 . . . . 51 ILE HA . 15079 1 518 . 1 1 51 51 ILE HB H 1 1.881 0.03 . 1 . . . . 51 ILE HB . 15079 1 519 . 1 1 51 51 ILE HG12 H 1 1.378 0.03 . 2 . . . . 51 ILE HG12 . 15079 1 520 . 1 1 51 51 ILE HG13 H 1 0.938 0.03 . 2 . . . . 51 ILE HG13 . 15079 1 521 . 1 1 51 51 ILE HG21 H 1 0.680 0.03 . 1 . . . . 51 ILE HG2 . 15079 1 522 . 1 1 51 51 ILE HG22 H 1 0.680 0.03 . 1 . . . . 51 ILE HG2 . 15079 1 523 . 1 1 51 51 ILE HG23 H 1 0.680 0.03 . 1 . . . . 51 ILE HG2 . 15079 1 524 . 1 1 51 51 ILE HD11 H 1 0.770 0.03 . 1 . . . . 51 ILE HD1 . 15079 1 525 . 1 1 51 51 ILE HD12 H 1 0.770 0.03 . 1 . . . . 51 ILE HD1 . 15079 1 526 . 1 1 51 51 ILE HD13 H 1 0.770 0.03 . 1 . . . . 51 ILE HD1 . 15079 1 527 . 1 1 51 51 ILE CA C 13 61.433 0.3 . 1 . . . . 51 ILE CA . 15079 1 528 . 1 1 51 51 ILE CB C 13 40.807 0.3 . 1 . . . . 51 ILE CB . 15079 1 529 . 1 1 51 51 ILE CG1 C 13 28.362 0.3 . 1 . . . . 51 ILE CG1 . 15079 1 530 . 1 1 51 51 ILE CG2 C 13 17.864 0.3 . 1 . . . . 51 ILE CG2 . 15079 1 531 . 1 1 51 51 ILE CD1 C 13 14.209 0.3 . 1 . . . . 51 ILE CD1 . 15079 1 532 . 1 1 52 52 GLU C C 13 176.891 0.3 . 1 . . . . 52 GLU C . 15079 1 533 . 1 1 53 53 ARG H H 1 8.450 0.03 . 1 . . . . 53 ARG H . 15079 1 534 . 1 1 53 53 ARG HA H 1 4.184 0.03 . 1 . . . . 53 ARG HA . 15079 1 535 . 1 1 53 53 ARG CA C 13 56.22 0.3 . 1 . . . . 53 ARG CA . 15079 1 536 . 1 1 53 53 ARG CB C 13 30.56 0.3 . 1 . . . . 53 ARG CB . 15079 1 537 . 1 1 53 53 ARG N N 15 121.410 0.3 . 1 . . . . 53 ARG N . 15079 1 538 . 1 1 54 54 LEU HA H 1 4.205 0.03 . 1 . . . . 54 LEU HA . 15079 1 539 . 1 1 54 54 LEU HB2 H 1 1.442 0.03 . 1 . . . . 54 LEU HB2 . 15079 1 540 . 1 1 54 54 LEU HB3 H 1 1.442 0.03 . 1 . . . . 54 LEU HB3 . 15079 1 541 . 1 1 54 54 LEU HG H 1 1.285 0.03 . 1 . . . . 54 LEU HG . 15079 1 542 . 1 1 54 54 LEU HD11 H 1 0.702 0.03 . 2 . . . . 54 LEU HD1 . 15079 1 543 . 1 1 54 54 LEU HD12 H 1 0.702 0.03 . 2 . . . . 54 LEU HD1 . 15079 1 544 . 1 1 54 54 LEU HD13 H 1 0.702 0.03 . 2 . . . . 54 LEU HD1 . 15079 1 545 . 1 1 54 54 LEU HD21 H 1 0.670 0.03 . 2 . . . . 54 LEU HD2 . 15079 1 546 . 1 1 54 54 LEU HD22 H 1 0.670 0.03 . 2 . . . . 54 LEU HD2 . 15079 1 547 . 1 1 54 54 LEU HD23 H 1 0.670 0.03 . 2 . . . . 54 LEU HD2 . 15079 1 548 . 1 1 54 54 LEU CA C 13 56.072 0.3 . 1 . . . . 54 LEU CA . 15079 1 549 . 1 1 54 54 LEU CB C 13 41.969 0.3 . 1 . . . . 54 LEU CB . 15079 1 550 . 1 1 54 54 LEU CG C 13 29.060 0.3 . 1 . . . . 54 LEU CG . 15079 1 551 . 1 1 54 54 LEU CD1 C 13 25.038 0.3 . 2 . . . . 54 LEU CD1 . 15079 1 552 . 1 1 54 54 LEU CD2 C 13 23.652 0.3 . 2 . . . . 54 LEU CD2 . 15079 1 stop_ save_