data_15534 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15534 _Entry.Title ; Solution Structure of the UBA domain from c-Cbl ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-24 _Entry.Accession_date 2007-10-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Zi-ren Zhou Z. . . 15534 2 Jing Hong H. . . 15534 3 Dong-hai Lin . . . 15534 4 Hong-yu Hu . . . 15534 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 'not applicable' 'not applicable' . 15534 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha helix' . 15534 'UBA domain' . 15534 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15534 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 220 15534 '15N chemical shifts' 64 15534 '1H chemical shifts' 346 15534 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 . . 2008-10-23 2007-10-24 update BMRB 'complete entry citation' 15534 1 . . 2008-07-15 2007-10-24 original author 'original release' 15534 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15534 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18596201 _Citation.Full_citation . _Citation.Title 'Differential Ubiquitin Binding of the UBA Domains from Human c-Cbl and Cbl-b: NMR Structural and Biochemical Insights' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 10 _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 1805 _Citation.Page_last 1814 _Citation.Year 2008 _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 Zi-ren Zhou . . . 15534 1 2 Hong-Chang Gao . . . 15534 1 3 Chen-Jie Zhou . . . 15534 1 4 Yong-Gang Chang . . . 15534 1 5 Jing Hong . . . 15534 1 6 Ai-Xin Song . . . 15534 1 7 Dong-Hai Lin . . . 15534 1 8 Hong-Yu Hu . . . 15534 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15534 _Assembly.ID 1 _Assembly.Name c-Cbl_UBA _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 c-Cbl_UBA 1 $c-Cbl A . yes native no no . . . 15534 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_c-Cbl _Entity.Sf_category entity _Entity.Sf_framecode c-Cbl _Entity.Entry_ID 15534 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name c-Cbl _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 ; ATASPQLSSEIENLMSQGYS YQDIQKALVIAQNNIEMAKN ILREFVSISSPAHVAT ; _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 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'UBA domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JUJ . "Solution Structure Of The Uba Domain From C-Cbl" . . . . . 100.00 56 100.00 100.00 1.47e-30 . . . . 15534 1 2 no EMBL CAA40393 . "c-cbl [Homo sapiens]" . . . . . 100.00 906 100.00 100.00 4.59e-26 . . . . 15534 1 3 no GB AAI32734 . "Cas-Br-M (murine) ecotropic retroviral transforming sequence [Homo sapiens]" . . . . . 100.00 906 100.00 100.00 5.01e-26 . . . . 15534 1 4 no GB AAI36464 . "CBL protein [Homo sapiens]" . . . . . 100.00 906 100.00 100.00 5.01e-26 . . . . 15534 1 5 no GB EAW67476 . "Cas-Br-M (murine) ecotropic retroviral transforming sequence [Homo sapiens]" . . . . . 100.00 852 100.00 100.00 7.61e-26 . . . . 15534 1 6 no GB EHH23510 . "hypothetical protein EGK_06985, partial [Macaca mulatta]" . . . . . 100.00 842 100.00 100.00 1.12e-25 . . . . 15534 1 7 no GB EHH56827 . "hypothetical protein EGM_06309, partial [Macaca fascicularis]" . . . . . 100.00 842 100.00 100.00 1.12e-25 . . . . 15534 1 8 no REF NP_001245076 . "E3 ubiquitin-protein ligase CBL [Macaca mulatta]" . . . . . 100.00 907 100.00 100.00 4.13e-26 . . . . 15534 1 9 no REF NP_005179 . "E3 ubiquitin-protein ligase CBL [Homo sapiens]" . . . . . 100.00 906 100.00 100.00 5.01e-26 . . . . 15534 1 10 no REF XP_001165648 . "PREDICTED: E3 ubiquitin-protein ligase CBL [Pan troglodytes]" . . . . . 100.00 906 100.00 100.00 5.01e-26 . . . . 15534 1 11 no REF XP_002193659 . "PREDICTED: E3 ubiquitin-protein ligase CBL [Taeniopygia guttata]" . . . . . 83.93 909 97.87 97.87 1.95e-19 . . . . 15534 1 12 no REF XP_002754480 . "PREDICTED: E3 ubiquitin-protein ligase CBL isoform X2 [Callithrix jacchus]" . . . . . 100.00 909 98.21 100.00 2.35e-25 . . . . 15534 1 13 no SP P22681 . "RecName: Full=E3 ubiquitin-protein ligase CBL; AltName: Full=Casitas B-lineage lymphoma proto-oncogene; AltName: Full=Proto-onc" . . . . . 100.00 906 100.00 100.00 5.01e-26 . . . . 15534 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 . ALA . 15534 1 2 . THR . 15534 1 3 . ALA . 15534 1 4 . SER . 15534 1 5 . PRO . 15534 1 6 . GLN . 15534 1 7 . LEU . 15534 1 8 . SER . 15534 1 9 . SER . 15534 1 10 . GLU . 15534 1 11 . ILE . 15534 1 12 . GLU . 15534 1 13 . ASN . 15534 1 14 . LEU . 15534 1 15 . MET . 15534 1 16 . SER . 15534 1 17 . GLN . 15534 1 18 . GLY . 15534 1 19 . TYR . 15534 1 20 . SER . 15534 1 21 . TYR . 15534 1 22 . GLN . 15534 1 23 . ASP . 15534 1 24 . ILE . 15534 1 25 . GLN . 15534 1 26 . LYS . 15534 1 27 . ALA . 15534 1 28 . LEU . 15534 1 29 . VAL . 15534 1 30 . ILE . 15534 1 31 . ALA . 15534 1 32 . GLN . 15534 1 33 . ASN . 15534 1 34 . ASN . 15534 1 35 . ILE . 15534 1 36 . GLU . 15534 1 37 . MET . 15534 1 38 . ALA . 15534 1 39 . LYS . 15534 1 40 . ASN . 15534 1 41 . ILE . 15534 1 42 . LEU . 15534 1 43 . ARG . 15534 1 44 . GLU . 15534 1 45 . PHE . 15534 1 46 . VAL . 15534 1 47 . SER . 15534 1 48 . ILE . 15534 1 49 . SER . 15534 1 50 . SER . 15534 1 51 . PRO . 15534 1 52 . ALA . 15534 1 53 . HIS . 15534 1 54 . VAL . 15534 1 55 . ALA . 15534 1 56 . THR . 15534 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 . ALA 1 1 15534 1 . THR 2 2 15534 1 . ALA 3 3 15534 1 . SER 4 4 15534 1 . PRO 5 5 15534 1 . GLN 6 6 15534 1 . LEU 7 7 15534 1 . SER 8 8 15534 1 . SER 9 9 15534 1 . GLU 10 10 15534 1 . ILE 11 11 15534 1 . GLU 12 12 15534 1 . ASN 13 13 15534 1 . LEU 14 14 15534 1 . MET 15 15 15534 1 . SER 16 16 15534 1 . GLN 17 17 15534 1 . GLY 18 18 15534 1 . TYR 19 19 15534 1 . SER 20 20 15534 1 . TYR 21 21 15534 1 . GLN 22 22 15534 1 . ASP 23 23 15534 1 . ILE 24 24 15534 1 . GLN 25 25 15534 1 . LYS 26 26 15534 1 . ALA 27 27 15534 1 . LEU 28 28 15534 1 . VAL 29 29 15534 1 . ILE 30 30 15534 1 . ALA 31 31 15534 1 . GLN 32 32 15534 1 . ASN 33 33 15534 1 . ASN 34 34 15534 1 . ILE 35 35 15534 1 . GLU 36 36 15534 1 . MET 37 37 15534 1 . ALA 38 38 15534 1 . LYS 39 39 15534 1 . ASN 40 40 15534 1 . ILE 41 41 15534 1 . LEU 42 42 15534 1 . ARG 43 43 15534 1 . GLU 44 44 15534 1 . PHE 45 45 15534 1 . VAL 46 46 15534 1 . SER 47 47 15534 1 . ILE 48 48 15534 1 . SER 49 49 15534 1 . SER 50 50 15534 1 . PRO 51 51 15534 1 . ALA 52 52 15534 1 . HIS 53 53 15534 1 . VAL 54 54 15534 1 . ALA 55 55 15534 1 . THR 56 56 15534 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 15534 _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 $c-Cbl . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . c-Cbl . . . . 15534 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 15534 _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 $c-Cbl . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-32M . . . . . . 15534 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_N_H2O _Sample.Sf_category sample _Sample.Sf_framecode sample_1_N_H2O _Sample.Entry_ID 15534 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM sodium phosphate; 50mM NaCl; 90% H2O, 10% D2O; 1mM DTT' _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 c-Cbl_UBA 'natural abundance' . . 1 $c-Cbl . . 1.0 . . mM . . . . 15534 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15534 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15534 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15534 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 15534 1 6 D2O . . . . . . . 10 . . % . . . . 15534 1 stop_ save_ save_sample_2_CN_H2O _Sample.Sf_category sample _Sample.Sf_framecode sample_2_CN_H2O _Sample.Entry_ID 15534 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM sodium phosphate; 50mM NaCl; 90% H2O, 10% D2O; 1mM DTT' _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 c-Cbl_UBA 'natural abundance' . . 1 $c-Cbl . . 1.0 . . mM . . . . 15534 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15534 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15534 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15534 2 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 15534 2 6 D2O . . . . . . . 10 . . % . . . . 15534 2 stop_ save_ save_sample_3_CN_D2O _Sample.Sf_category sample _Sample.Sf_framecode sample_3_CN_D2O _Sample.Entry_ID 15534 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM sodium phosphate; 50mM NaCl; 100% D2O; 1mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 c-Cbl_UBA 'natural abundance' . . 1 $c-Cbl . . 1.0 . . mM . . . . 15534 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15534 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15534 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15534 3 5 D2O . . . . . . . 100 . . % . . . . 15534 3 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 15534 _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' 50 . mM 15534 1 pH 6.5 . pH 15534 1 pressure 1 . atm 15534 1 temperature 298 . K 15534 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15534 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15534 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15534 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15534 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15534 _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 Varian Unity . 600 . . . 15534 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 15534 _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 . . . . . . . . . . 2 $sample_2_CN_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15534 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2_CN_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15534 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2_CN_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15534 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2_CN_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15534 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1_N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15534 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3_CN_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15534 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1_N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15534 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3_CN_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15534 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 15534 _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 internal indirect 0.251449530 . . . . . . . . . 15534 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15534 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15534 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 15534 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15534 1 2 '3D HNCACB' . . . 15534 1 3 '3D CBCA(CO)NH' . . . 15534 1 4 '3D HNCO' . . . 15534 1 5 '3D HNHA' . . . 15534 1 6 '3D HCCH-TOCSY' . . . 15534 1 7 '3D 1H-15N NOESY' . . . 15534 1 8 '3D 1H-13C NOESY' . . . 15534 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 ALA H H 1 8.559 0.004 . 1 . . . . 1 ALA H . 15534 1 2 . 1 1 1 1 ALA HA H 1 4.399 0.002 . 1 . . . . 1 ALA HA . 15534 1 3 . 1 1 1 1 ALA HB1 H 1 1.401 0.005 . 1 . . . . 1 ALA HB . 15534 1 4 . 1 1 1 1 ALA HB2 H 1 1.401 0.005 . 1 . . . . 1 ALA HB . 15534 1 5 . 1 1 1 1 ALA HB3 H 1 1.401 0.005 . 1 . . . . 1 ALA HB . 15534 1 6 . 1 1 1 1 ALA C C 13 177.913 0.100 . 1 . . . . 1 ALA C . 15534 1 7 . 1 1 1 1 ALA CA C 13 52.747 0.085 . 1 . . . . 1 ALA CA . 15534 1 8 . 1 1 1 1 ALA CB C 13 19.242 0.023 . 1 . . . . 1 ALA CB . 15534 1 9 . 1 1 1 1 ALA N N 15 126.391 0.035 . 1 . . . . 1 ALA N . 15534 1 10 . 1 1 2 2 THR H H 1 8.109 0.002 . 1 . . . . 2 THR H . 15534 1 11 . 1 1 2 2 THR HA H 1 4.284 0.001 . 1 . . . . 2 THR HA . 15534 1 12 . 1 1 2 2 THR HB H 1 4.182 0.005 . 1 . . . . 2 THR HB . 15534 1 13 . 1 1 2 2 THR HG21 H 1 1.192 0.004 . 1 . . . . 2 THR HG2 . 15534 1 14 . 1 1 2 2 THR HG22 H 1 1.192 0.004 . 1 . . . . 2 THR HG2 . 15534 1 15 . 1 1 2 2 THR HG23 H 1 1.192 0.004 . 1 . . . . 2 THR HG2 . 15534 1 16 . 1 1 2 2 THR C C 13 174.143 0.100 . 1 . . . . 2 THR C . 15534 1 17 . 1 1 2 2 THR CA C 13 61.794 0.051 . 1 . . . . 2 THR CA . 15534 1 18 . 1 1 2 2 THR CB C 13 69.743 0.143 . 1 . . . . 2 THR CB . 15534 1 19 . 1 1 2 2 THR CG2 C 13 21.552 0.043 . 1 . . . . 2 THR CG2 . 15534 1 20 . 1 1 2 2 THR N N 15 113.569 0.043 . 1 . . . . 2 THR N . 15534 1 21 . 1 1 3 3 ALA H H 1 8.262 0.005 . 1 . . . . 3 ALA H . 15534 1 22 . 1 1 3 3 ALA HA H 1 4.377 0.008 . 1 . . . . 3 ALA HA . 15534 1 23 . 1 1 3 3 ALA HB1 H 1 1.384 0.006 . 1 . . . . 3 ALA HB . 15534 1 24 . 1 1 3 3 ALA HB2 H 1 1.384 0.006 . 1 . . . . 3 ALA HB . 15534 1 25 . 1 1 3 3 ALA HB3 H 1 1.384 0.006 . 1 . . . . 3 ALA HB . 15534 1 26 . 1 1 3 3 ALA C C 13 177.398 0.100 . 1 . . . . 3 ALA C . 15534 1 27 . 1 1 3 3 ALA CA C 13 52.357 0.050 . 1 . . . . 3 ALA CA . 15534 1 28 . 1 1 3 3 ALA CB C 13 19.484 0.069 . 1 . . . . 3 ALA CB . 15534 1 29 . 1 1 3 3 ALA N N 15 126.686 0.043 . 1 . . . . 3 ALA N . 15534 1 30 . 1 1 4 4 SER H H 1 8.351 0.003 . 1 . . . . 4 SER H . 15534 1 31 . 1 1 4 4 SER HA H 1 4.753 0.005 . 1 . . . . 4 SER HA . 15534 1 32 . 1 1 4 4 SER HB2 H 1 3.946 0.002 . 2 . . . . 4 SER HB2 . 15534 1 33 . 1 1 4 4 SER HB3 H 1 3.909 0.020 . 2 . . . . 4 SER HB3 . 15534 1 34 . 1 1 4 4 SER CA C 13 56.425 0.108 . 1 . . . . 4 SER CA . 15534 1 35 . 1 1 4 4 SER CB C 13 63.298 0.200 . 1 . . . . 4 SER CB . 15534 1 36 . 1 1 4 4 SER N N 15 116.854 0.060 . 1 . . . . 4 SER N . 15534 1 37 . 1 1 5 5 PRO HA H 1 4.417 0.006 . 1 . . . . 5 PRO HA . 15534 1 38 . 1 1 5 5 PRO HB2 H 1 2.327 0.003 . 2 . . . . 5 PRO HB2 . 15534 1 39 . 1 1 5 5 PRO HB3 H 1 1.914 0.007 . 2 . . . . 5 PRO HB3 . 15534 1 40 . 1 1 5 5 PRO HD2 H 1 3.848 0.001 . 2 . . . . 5 PRO HD2 . 15534 1 41 . 1 1 5 5 PRO HD3 H 1 3.804 0.010 . 2 . . . . 5 PRO HD3 . 15534 1 42 . 1 1 5 5 PRO HG2 H 1 2.047 0.020 . 2 . . . . 5 PRO HG2 . 15534 1 43 . 1 1 5 5 PRO C C 13 177.745 0.100 . 1 . . . . 5 PRO C . 15534 1 44 . 1 1 5 5 PRO CA C 13 64.115 0.126 . 1 . . . . 5 PRO CA . 15534 1 45 . 1 1 5 5 PRO CB C 13 31.920 0.025 . 1 . . . . 5 PRO CB . 15534 1 46 . 1 1 5 5 PRO CD C 13 50.755 0.029 . 1 . . . . 5 PRO CD . 15534 1 47 . 1 1 5 5 PRO CG C 13 27.543 0.100 . 1 . . . . 5 PRO CG . 15534 1 48 . 1 1 6 6 GLN H H 1 8.431 0.004 . 1 . . . . 6 GLN H . 15534 1 49 . 1 1 6 6 GLN HA H 1 4.279 0.005 . 1 . . . . 6 GLN HA . 15534 1 50 . 1 1 6 6 GLN HB2 H 1 2.101 0.010 . 2 . . . . 6 GLN HB2 . 15534 1 51 . 1 1 6 6 GLN HE21 H 1 7.598 0.009 . 2 . . . . 6 GLN HE21 . 15534 1 52 . 1 1 6 6 GLN HE22 H 1 6.893 0.002 . 2 . . . . 6 GLN HE22 . 15534 1 53 . 1 1 6 6 GLN HG2 H 1 2.422 0.004 . 2 . . . . 6 GLN HG2 . 15534 1 54 . 1 1 6 6 GLN C C 13 177.055 0.100 . 1 . . . . 6 GLN C . 15534 1 55 . 1 1 6 6 GLN CA C 13 56.891 0.060 . 1 . . . . 6 GLN CA . 15534 1 56 . 1 1 6 6 GLN CB C 13 28.758 0.101 . 1 . . . . 6 GLN CB . 15534 1 57 . 1 1 6 6 GLN CG C 13 33.894 0.065 . 1 . . . . 6 GLN CG . 15534 1 58 . 1 1 6 6 GLN N N 15 119.411 0.029 . 1 . . . . 6 GLN N . 15534 1 59 . 1 1 6 6 GLN NE2 N 15 112.521 0.019 . 1 . . . . 6 GLN NE2 . 15534 1 60 . 1 1 7 7 LEU H H 1 8.174 0.004 . 1 . . . . 7 LEU H . 15534 1 61 . 1 1 7 7 LEU HA H 1 4.220 0.004 . 1 . . . . 7 LEU HA . 15534 1 62 . 1 1 7 7 LEU HB2 H 1 1.709 0.005 . 2 . . . . 7 LEU HB2 . 15534 1 63 . 1 1 7 7 LEU HD11 H 1 0.901 0.006 . 1 . . . . 7 LEU HD1 . 15534 1 64 . 1 1 7 7 LEU HD12 H 1 0.901 0.006 . 1 . . . . 7 LEU HD1 . 15534 1 65 . 1 1 7 7 LEU HD13 H 1 0.901 0.006 . 1 . . . . 7 LEU HD1 . 15534 1 66 . 1 1 7 7 LEU HG H 1 1.611 0.004 . 1 . . . . 7 LEU HG . 15534 1 67 . 1 1 7 7 LEU C C 13 178.095 0.100 . 1 . . . . 7 LEU C . 15534 1 68 . 1 1 7 7 LEU CA C 13 56.984 0.064 . 1 . . . . 7 LEU CA . 15534 1 69 . 1 1 7 7 LEU CB C 13 41.957 0.043 . 1 . . . . 7 LEU CB . 15534 1 70 . 1 1 7 7 LEU CD1 C 13 24.480 0.031 . 2 . . . . 7 LEU CD1 . 15534 1 71 . 1 1 7 7 LEU CG C 13 27.052 0.036 . 1 . . . . 7 LEU CG . 15534 1 72 . 1 1 7 7 LEU N N 15 122.749 0.035 . 1 . . . . 7 LEU N . 15534 1 73 . 1 1 8 8 SER H H 1 8.311 0.002 . 1 . . . . 8 SER H . 15534 1 74 . 1 1 8 8 SER HA H 1 4.164 0.011 . 1 . . . . 8 SER HA . 15534 1 75 . 1 1 8 8 SER HB2 H 1 3.952 0.004 . 2 . . . . 8 SER HB2 . 15534 1 76 . 1 1 8 8 SER HB3 H 1 3.931 0.004 . 2 . . . . 8 SER HB3 . 15534 1 77 . 1 1 8 8 SER C C 13 176.736 0.100 . 1 . . . . 8 SER C . 15534 1 78 . 1 1 8 8 SER CA C 13 61.371 0.108 . 1 . . . . 8 SER CA . 15534 1 79 . 1 1 8 8 SER CB C 13 63.003 0.022 . 1 . . . . 8 SER CB . 15534 1 80 . 1 1 8 8 SER N N 15 114.300 0.032 . 1 . . . . 8 SER N . 15534 1 81 . 1 1 9 9 SER H H 1 8.149 0.004 . 1 . . . . 9 SER H . 15534 1 82 . 1 1 9 9 SER HA H 1 4.322 0.005 . 1 . . . . 9 SER HA . 15534 1 83 . 1 1 9 9 SER HB2 H 1 3.974 0.008 . 2 . . . . 9 SER HB2 . 15534 1 84 . 1 1 9 9 SER C C 13 176.945 0.100 . 1 . . . . 9 SER C . 15534 1 85 . 1 1 9 9 SER CA C 13 61.288 0.095 . 1 . . . . 9 SER CA . 15534 1 86 . 1 1 9 9 SER CB C 13 62.515 0.089 . 1 . . . . 9 SER CB . 15534 1 87 . 1 1 9 9 SER N N 15 117.585 0.032 . 1 . . . . 9 SER N . 15534 1 88 . 1 1 10 10 GLU H H 1 8.109 0.003 . 1 . . . . 10 GLU H . 15534 1 89 . 1 1 10 10 GLU HA H 1 4.270 0.008 . 1 . . . . 10 GLU HA . 15534 1 90 . 1 1 10 10 GLU HB2 H 1 2.291 0.007 . 2 . . . . 10 GLU HB2 . 15534 1 91 . 1 1 10 10 GLU HG2 H 1 2.398 0.009 . 2 . . . . 10 GLU HG2 . 15534 1 92 . 1 1 10 10 GLU HG3 H 1 2.276 0.003 . 2 . . . . 10 GLU HG3 . 15534 1 93 . 1 1 10 10 GLU C C 13 179.718 0.100 . 1 . . . . 10 GLU C . 15534 1 94 . 1 1 10 10 GLU CA C 13 58.976 0.062 . 1 . . . . 10 GLU CA . 15534 1 95 . 1 1 10 10 GLU CB C 13 29.272 0.100 . 1 . . . . 10 GLU CB . 15534 1 96 . 1 1 10 10 GLU CG C 13 35.572 0.033 . 1 . . . . 10 GLU CG . 15534 1 97 . 1 1 10 10 GLU N N 15 122.274 0.035 . 1 . . . . 10 GLU N . 15534 1 98 . 1 1 11 11 ILE H H 1 8.331 0.001 . 1 . . . . 11 ILE H . 15534 1 99 . 1 1 11 11 ILE HA H 1 3.615 0.007 . 1 . . . . 11 ILE HA . 15534 1 100 . 1 1 11 11 ILE HB H 1 2.040 0.004 . 1 . . . . 11 ILE HB . 15534 1 101 . 1 1 11 11 ILE HD11 H 1 0.811 0.009 . 1 . . . . 11 ILE HD1 . 15534 1 102 . 1 1 11 11 ILE HD12 H 1 0.811 0.009 . 1 . . . . 11 ILE HD1 . 15534 1 103 . 1 1 11 11 ILE HD13 H 1 0.811 0.009 . 1 . . . . 11 ILE HD1 . 15534 1 104 . 1 1 11 11 ILE HG12 H 1 1.776 0.004 . 2 . . . . 11 ILE HG12 . 15534 1 105 . 1 1 11 11 ILE HG21 H 1 1.042 0.004 . 1 . . . . 11 ILE HG2 . 15534 1 106 . 1 1 11 11 ILE HG22 H 1 1.042 0.004 . 1 . . . . 11 ILE HG2 . 15534 1 107 . 1 1 11 11 ILE HG23 H 1 1.042 0.004 . 1 . . . . 11 ILE HG2 . 15534 1 108 . 1 1 11 11 ILE C C 13 177.870 0.100 . 1 . . . . 11 ILE C . 15534 1 109 . 1 1 11 11 ILE CA C 13 66.275 0.067 . 1 . . . . 11 ILE CA . 15534 1 110 . 1 1 11 11 ILE CB C 13 37.664 0.060 . 1 . . . . 11 ILE CB . 15534 1 111 . 1 1 11 11 ILE CD1 C 13 13.261 0.025 . 1 . . . . 11 ILE CD1 . 15534 1 112 . 1 1 11 11 ILE CG1 C 13 29.376 0.044 . 1 . . . . 11 ILE CG1 . 15534 1 113 . 1 1 11 11 ILE CG2 C 13 17.279 0.021 . 1 . . . . 11 ILE CG2 . 15534 1 114 . 1 1 11 11 ILE N N 15 120.596 0.056 . 1 . . . . 11 ILE N . 15534 1 115 . 1 1 12 12 GLU H H 1 8.120 0.003 . 1 . . . . 12 GLU H . 15534 1 116 . 1 1 12 12 GLU HA H 1 4.049 0.007 . 1 . . . . 12 GLU HA . 15534 1 117 . 1 1 12 12 GLU HB2 H 1 2.159 0.007 . 2 . . . . 12 GLU HB2 . 15534 1 118 . 1 1 12 12 GLU HG2 H 1 2.425 0.006 . 2 . . . . 12 GLU HG2 . 15534 1 119 . 1 1 12 12 GLU HG3 H 1 2.282 0.004 . 2 . . . . 12 GLU HG3 . 15534 1 120 . 1 1 12 12 GLU C C 13 179.727 0.100 . 1 . . . . 12 GLU C . 15534 1 121 . 1 1 12 12 GLU CA C 13 59.905 0.044 . 1 . . . . 12 GLU CA . 15534 1 122 . 1 1 12 12 GLU CB C 13 29.221 0.088 . 1 . . . . 12 GLU CB . 15534 1 123 . 1 1 12 12 GLU CG C 13 36.389 0.036 . 1 . . . . 12 GLU CG . 15534 1 124 . 1 1 12 12 GLU N N 15 119.789 0.029 . 1 . . . . 12 GLU N . 15534 1 125 . 1 1 13 13 ASN H H 1 8.196 0.002 . 1 . . . . 13 ASN H . 15534 1 126 . 1 1 13 13 ASN HA H 1 4.520 0.005 . 1 . . . . 13 ASN HA . 15534 1 127 . 1 1 13 13 ASN HB2 H 1 3.009 0.009 . 2 . . . . 13 ASN HB2 . 15534 1 128 . 1 1 13 13 ASN HB3 H 1 2.928 0.005 . 2 . . . . 13 ASN HB3 . 15534 1 129 . 1 1 13 13 ASN HD21 H 1 7.711 0.001 . 2 . . . . 13 ASN HD21 . 15534 1 130 . 1 1 13 13 ASN HD22 H 1 6.896 0.002 . 2 . . . . 13 ASN HD22 . 15534 1 131 . 1 1 13 13 ASN C C 13 178.729 0.100 . 1 . . . . 13 ASN C . 15534 1 132 . 1 1 13 13 ASN CA C 13 56.375 0.062 . 1 . . . . 13 ASN CA . 15534 1 133 . 1 1 13 13 ASN CB C 13 38.395 0.103 . 1 . . . . 13 ASN CB . 15534 1 134 . 1 1 13 13 ASN N N 15 118.717 0.035 . 1 . . . . 13 ASN N . 15534 1 135 . 1 1 13 13 ASN ND2 N 15 112.656 0.032 . 1 . . . . 13 ASN ND2 . 15534 1 136 . 1 1 14 14 LEU H H 1 8.235 0.002 . 1 . . . . 14 LEU H . 15534 1 137 . 1 1 14 14 LEU HA H 1 4.270 0.005 . 1 . . . . 14 LEU HA . 15534 1 138 . 1 1 14 14 LEU HB2 H 1 2.137 0.005 . 2 . . . . 14 LEU HB2 . 15534 1 139 . 1 1 14 14 LEU HB3 H 1 1.295 0.005 . 2 . . . . 14 LEU HB3 . 15534 1 140 . 1 1 14 14 LEU HD11 H 1 0.657 0.003 . 1 . . . . 14 LEU HD1 . 15534 1 141 . 1 1 14 14 LEU HD12 H 1 0.657 0.003 . 1 . . . . 14 LEU HD1 . 15534 1 142 . 1 1 14 14 LEU HD13 H 1 0.657 0.003 . 1 . . . . 14 LEU HD1 . 15534 1 143 . 1 1 14 14 LEU HD21 H 1 0.830 0.005 . 1 . . . . 14 LEU HD2 . 15534 1 144 . 1 1 14 14 LEU HD22 H 1 0.830 0.005 . 1 . . . . 14 LEU HD2 . 15534 1 145 . 1 1 14 14 LEU HD23 H 1 0.830 0.005 . 1 . . . . 14 LEU HD2 . 15534 1 146 . 1 1 14 14 LEU HG H 1 1.916 0.004 . 1 . . . . 14 LEU HG . 15534 1 147 . 1 1 14 14 LEU C C 13 179.837 0.100 . 1 . . . . 14 LEU C . 15534 1 148 . 1 1 14 14 LEU CA C 13 58.349 0.058 . 1 . . . . 14 LEU CA . 15534 1 149 . 1 1 14 14 LEU CB C 13 42.482 0.050 . 1 . . . . 14 LEU CB . 15534 1 150 . 1 1 14 14 LEU CD1 C 13 25.284 0.021 . 2 . . . . 14 LEU CD1 . 15534 1 151 . 1 1 14 14 LEU CD2 C 13 22.860 0.051 . 2 . . . . 14 LEU CD2 . 15534 1 152 . 1 1 14 14 LEU CG C 13 27.136 0.043 . 1 . . . . 14 LEU CG . 15534 1 153 . 1 1 14 14 LEU N N 15 122.037 0.032 . 1 . . . . 14 LEU N . 15534 1 154 . 1 1 15 15 MET H H 1 8.663 0.003 . 1 . . . . 15 MET H . 15534 1 155 . 1 1 15 15 MET HA H 1 4.946 0.006 . 1 . . . . 15 MET HA . 15534 1 156 . 1 1 15 15 MET HB2 H 1 2.254 0.008 . 2 . . . . 15 MET HB2 . 15534 1 157 . 1 1 15 15 MET HG2 H 1 2.786 0.006 . 2 . . . . 15 MET HG2 . 15534 1 158 . 1 1 15 15 MET HG3 H 1 2.579 0.007 . 2 . . . . 15 MET HG3 . 15534 1 159 . 1 1 15 15 MET C C 13 181.365 0.100 . 1 . . . . 15 MET C . 15534 1 160 . 1 1 15 15 MET CA C 13 59.048 0.066 . 1 . . . . 15 MET CA . 15534 1 161 . 1 1 15 15 MET CB C 13 32.849 0.079 . 1 . . . . 15 MET CB . 15534 1 162 . 1 1 15 15 MET CG C 13 32.711 0.029 . 1 . . . . 15 MET CG . 15534 1 163 . 1 1 15 15 MET N N 15 120.926 0.034 . 1 . . . . 15 MET N . 15534 1 164 . 1 1 16 16 SER H H 1 8.408 0.004 . 1 . . . . 16 SER H . 15534 1 165 . 1 1 16 16 SER HA H 1 4.330 0.007 . 1 . . . . 16 SER HA . 15534 1 166 . 1 1 16 16 SER HB2 H 1 4.114 0.004 . 2 . . . . 16 SER HB2 . 15534 1 167 . 1 1 16 16 SER C C 13 175.723 0.100 . 1 . . . . 16 SER C . 15534 1 168 . 1 1 16 16 SER CA C 13 61.504 0.054 . 1 . . . . 16 SER CA . 15534 1 169 . 1 1 16 16 SER CB C 13 62.709 0.023 . 1 . . . . 16 SER CB . 15534 1 170 . 1 1 16 16 SER N N 15 118.120 0.044 . 1 . . . . 16 SER N . 15534 1 171 . 1 1 17 17 GLN H H 1 7.552 0.004 . 1 . . . . 17 GLN H . 15534 1 172 . 1 1 17 17 GLN HA H 1 4.218 0.006 . 1 . . . . 17 GLN HA . 15534 1 173 . 1 1 17 17 GLN HB2 H 1 2.307 0.007 . 2 . . . . 17 GLN HB2 . 15534 1 174 . 1 1 17 17 GLN HE21 H 1 7.079 0.002 . 2 . . . . 17 GLN HE21 . 15534 1 175 . 1 1 17 17 GLN HE22 H 1 6.785 0.001 . 2 . . . . 17 GLN HE22 . 15534 1 176 . 1 1 17 17 GLN HG2 H 1 2.612 0.007 . 2 . . . . 17 GLN HG2 . 15534 1 177 . 1 1 17 17 GLN HG3 H 1 2.430 0.008 . 2 . . . . 17 GLN HG3 . 15534 1 178 . 1 1 17 17 GLN C C 13 175.892 0.100 . 1 . . . . 17 GLN C . 15534 1 179 . 1 1 17 17 GLN CA C 13 56.771 0.074 . 1 . . . . 17 GLN CA . 15534 1 180 . 1 1 17 17 GLN CB C 13 29.490 0.070 . 1 . . . . 17 GLN CB . 15534 1 181 . 1 1 17 17 GLN CG C 13 34.430 0.063 . 1 . . . . 17 GLN CG . 15534 1 182 . 1 1 17 17 GLN N N 15 119.219 0.050 . 1 . . . . 17 GLN N . 15534 1 183 . 1 1 17 17 GLN NE2 N 15 110.840 0.023 . 1 . . . . 17 GLN NE2 . 15534 1 184 . 1 1 18 18 GLY H H 1 7.594 0.003 . 1 . . . . 18 GLY H . 15534 1 185 . 1 1 18 18 GLY HA2 H 1 4.318 0.007 . 2 . . . . 18 GLY HA2 . 15534 1 186 . 1 1 18 18 GLY HA3 H 1 3.564 0.006 . 2 . . . . 18 GLY HA3 . 15534 1 187 . 1 1 18 18 GLY C C 13 174.354 0.100 . 1 . . . . 18 GLY C . 15534 1 188 . 1 1 18 18 GLY CA C 13 44.420 0.043 . 1 . . . . 18 GLY CA . 15534 1 189 . 1 1 18 18 GLY N N 15 103.442 0.037 . 1 . . . . 18 GLY N . 15534 1 190 . 1 1 19 19 TYR H H 1 7.319 0.002 . 1 . . . . 19 TYR H . 15534 1 191 . 1 1 19 19 TYR HA H 1 4.648 0.006 . 1 . . . . 19 TYR HA . 15534 1 192 . 1 1 19 19 TYR HB2 H 1 2.932 0.006 . 2 . . . . 19 TYR HB2 . 15534 1 193 . 1 1 19 19 TYR HB3 H 1 2.460 0.009 . 2 . . . . 19 TYR HB3 . 15534 1 194 . 1 1 19 19 TYR C C 13 175.839 0.100 . 1 . . . . 19 TYR C . 15534 1 195 . 1 1 19 19 TYR CA C 13 58.330 0.065 . 1 . . . . 19 TYR CA . 15534 1 196 . 1 1 19 19 TYR CB C 13 38.655 0.041 . 1 . . . . 19 TYR CB . 15534 1 197 . 1 1 19 19 TYR N N 15 120.123 0.030 . 1 . . . . 19 TYR N . 15534 1 198 . 1 1 20 20 SER H H 1 10.024 0.004 . 1 . . . . 20 SER H . 15534 1 199 . 1 1 20 20 SER HA H 1 4.502 0.007 . 1 . . . . 20 SER HA . 15534 1 200 . 1 1 20 20 SER HB2 H 1 4.340 0.008 . 2 . . . . 20 SER HB2 . 15534 1 201 . 1 1 20 20 SER HB3 H 1 4.184 0.007 . 2 . . . . 20 SER HB3 . 15534 1 202 . 1 1 20 20 SER C C 13 175.217 0.100 . 1 . . . . 20 SER C . 15534 1 203 . 1 1 20 20 SER CA C 13 57.156 0.091 . 1 . . . . 20 SER CA . 15534 1 204 . 1 1 20 20 SER CB C 13 64.710 0.097 . 1 . . . . 20 SER CB . 15534 1 205 . 1 1 20 20 SER N N 15 120.092 0.033 . 1 . . . . 20 SER N . 15534 1 206 . 1 1 21 21 TYR H H 1 9.327 0.003 . 1 . . . . 21 TYR H . 15534 1 207 . 1 1 21 21 TYR HA H 1 4.058 0.019 . 1 . . . . 21 TYR HA . 15534 1 208 . 1 1 21 21 TYR HB2 H 1 3.398 0.005 . 2 . . . . 21 TYR HB2 . 15534 1 209 . 1 1 21 21 TYR HB3 H 1 2.908 0.004 . 2 . . . . 21 TYR HB3 . 15534 1 210 . 1 1 21 21 TYR C C 13 177.267 0.100 . 1 . . . . 21 TYR C . 15534 1 211 . 1 1 21 21 TYR CA C 13 62.320 0.055 . 1 . . . . 21 TYR CA . 15534 1 212 . 1 1 21 21 TYR CB C 13 38.186 0.059 . 1 . . . . 21 TYR CB . 15534 1 213 . 1 1 21 21 TYR N N 15 123.862 0.037 . 1 . . . . 21 TYR N . 15534 1 214 . 1 1 22 22 GLN H H 1 8.677 0.002 . 1 . . . . 22 GLN H . 15534 1 215 . 1 1 22 22 GLN HA H 1 3.945 0.005 . 1 . . . . 22 GLN HA . 15534 1 216 . 1 1 22 22 GLN HB2 H 1 2.066 0.008 . 2 . . . . 22 GLN HB2 . 15534 1 217 . 1 1 22 22 GLN HE21 H 1 7.695 0.003 . 2 . . . . 22 GLN HE21 . 15534 1 218 . 1 1 22 22 GLN HE22 H 1 6.996 0.003 . 2 . . . . 22 GLN HE22 . 15534 1 219 . 1 1 22 22 GLN HG2 H 1 2.499 0.008 . 2 . . . . 22 GLN HG2 . 15534 1 220 . 1 1 22 22 GLN HG3 H 1 2.462 0.020 . 2 . . . . 22 GLN HG3 . 15534 1 221 . 1 1 22 22 GLN C C 13 178.767 0.100 . 1 . . . . 22 GLN C . 15534 1 222 . 1 1 22 22 GLN CA C 13 59.518 0.057 . 1 . . . . 22 GLN CA . 15534 1 223 . 1 1 22 22 GLN CB C 13 28.559 0.090 . 1 . . . . 22 GLN CB . 15534 1 224 . 1 1 22 22 GLN CG C 13 34.412 0.100 . 1 . . . . 22 GLN CG . 15534 1 225 . 1 1 22 22 GLN N N 15 115.533 0.025 . 1 . . . . 22 GLN N . 15534 1 226 . 1 1 22 22 GLN NE2 N 15 112.464 0.011 . 1 . . . . 22 GLN NE2 . 15534 1 227 . 1 1 23 23 ASP H H 1 7.827 0.002 . 1 . . . . 23 ASP H . 15534 1 228 . 1 1 23 23 ASP HA H 1 4.606 0.006 . 1 . . . . 23 ASP HA . 15534 1 229 . 1 1 23 23 ASP HB2 H 1 2.897 0.006 . 2 . . . . 23 ASP HB2 . 15534 1 230 . 1 1 23 23 ASP HB3 H 1 2.516 0.007 . 2 . . . . 23 ASP HB3 . 15534 1 231 . 1 1 23 23 ASP C C 13 178.059 0.100 . 1 . . . . 23 ASP C . 15534 1 232 . 1 1 23 23 ASP CA C 13 58.090 0.089 . 1 . . . . 23 ASP CA . 15534 1 233 . 1 1 23 23 ASP CB C 13 40.135 0.049 . 1 . . . . 23 ASP CB . 15534 1 234 . 1 1 23 23 ASP N N 15 121.033 0.037 . 1 . . . . 23 ASP N . 15534 1 235 . 1 1 24 24 ILE H H 1 8.196 0.005 . 1 . . . . 24 ILE H . 15534 1 236 . 1 1 24 24 ILE HA H 1 3.415 0.004 . 1 . . . . 24 ILE HA . 15534 1 237 . 1 1 24 24 ILE HG12 H 1 1.784 0.006 . 2 . . . . 24 ILE HG12 . 15534 1 238 . 1 1 24 24 ILE HG13 H 1 0.622 0.006 . 2 . . . . 24 ILE HG13 . 15534 1 239 . 1 1 24 24 ILE HG21 H 1 0.723 0.004 . 1 . . . . 24 ILE HG2 . 15534 1 240 . 1 1 24 24 ILE HG22 H 1 0.723 0.004 . 1 . . . . 24 ILE HG2 . 15534 1 241 . 1 1 24 24 ILE HG23 H 1 0.723 0.004 . 1 . . . . 24 ILE HG2 . 15534 1 242 . 1 1 24 24 ILE C C 13 177.497 0.100 . 1 . . . . 24 ILE C . 15534 1 243 . 1 1 24 24 ILE CA C 13 65.927 0.072 . 1 . . . . 24 ILE CA . 15534 1 244 . 1 1 24 24 ILE CB C 13 38.710 0.100 . 1 . . . . 24 ILE CB . 15534 1 245 . 1 1 24 24 ILE CG1 C 13 28.893 0.041 . 1 . . . . 24 ILE CG1 . 15534 1 246 . 1 1 24 24 ILE CG2 C 13 17.921 0.019 . 1 . . . . 24 ILE CG2 . 15534 1 247 . 1 1 24 24 ILE N N 15 120.811 0.039 . 1 . . . . 24 ILE N . 15534 1 248 . 1 1 25 25 GLN H H 1 8.338 0.005 . 1 . . . . 25 GLN H . 15534 1 249 . 1 1 25 25 GLN HA H 1 3.816 0.006 . 1 . . . . 25 GLN HA . 15534 1 250 . 1 1 25 25 GLN HB2 H 1 1.894 0.009 . 2 . . . . 25 GLN HB2 . 15534 1 251 . 1 1 25 25 GLN HB3 H 1 1.775 0.005 . 2 . . . . 25 GLN HB3 . 15534 1 252 . 1 1 25 25 GLN HE21 H 1 6.658 0.002 . 2 . . . . 25 GLN HE21 . 15534 1 253 . 1 1 25 25 GLN HE22 H 1 6.393 0.002 . 2 . . . . 25 GLN HE22 . 15534 1 254 . 1 1 25 25 GLN HG2 H 1 2.041 0.006 . 2 . . . . 25 GLN HG2 . 15534 1 255 . 1 1 25 25 GLN HG3 H 1 1.840 0.006 . 2 . . . . 25 GLN HG3 . 15534 1 256 . 1 1 25 25 GLN C C 13 178.538 0.100 . 1 . . . . 25 GLN C . 15534 1 257 . 1 1 25 25 GLN CA C 13 58.850 0.061 . 1 . . . . 25 GLN CA . 15534 1 258 . 1 1 25 25 GLN CB C 13 28.155 0.083 . 1 . . . . 25 GLN CB . 15534 1 259 . 1 1 25 25 GLN CG C 13 33.450 0.050 . 1 . . . . 25 GLN CG . 15534 1 260 . 1 1 25 25 GLN N N 15 116.478 0.043 . 1 . . . . 25 GLN N . 15534 1 261 . 1 1 25 25 GLN NE2 N 15 110.272 0.021 . 1 . . . . 25 GLN NE2 . 15534 1 262 . 1 1 26 26 LYS H H 1 7.831 0.002 . 1 . . . . 26 LYS H . 15534 1 263 . 1 1 26 26 LYS HA H 1 3.947 0.005 . 1 . . . . 26 LYS HA . 15534 1 264 . 1 1 26 26 LYS HB2 H 1 2.007 0.007 . 2 . . . . 26 LYS HB2 . 15534 1 265 . 1 1 26 26 LYS HB3 H 1 1.727 0.007 . 2 . . . . 26 LYS HB3 . 15534 1 266 . 1 1 26 26 LYS HD2 H 1 1.524 0.007 . 2 . . . . 26 LYS HD2 . 15534 1 267 . 1 1 26 26 LYS HD3 H 1 1.410 0.005 . 2 . . . . 26 LYS HD3 . 15534 1 268 . 1 1 26 26 LYS HE2 H 1 2.570 0.006 . 2 . . . . 26 LYS HE2 . 15534 1 269 . 1 1 26 26 LYS HE3 H 1 2.478 0.006 . 2 . . . . 26 LYS HE3 . 15534 1 270 . 1 1 26 26 LYS HG2 H 1 1.583 0.005 . 2 . . . . 26 LYS HG2 . 15534 1 271 . 1 1 26 26 LYS HG3 H 1 1.305 0.005 . 2 . . . . 26 LYS HG3 . 15534 1 272 . 1 1 26 26 LYS C C 13 179.061 0.100 . 1 . . . . 26 LYS C . 15534 1 273 . 1 1 26 26 LYS CA C 13 59.699 0.060 . 1 . . . . 26 LYS CA . 15534 1 274 . 1 1 26 26 LYS CB C 13 33.179 0.068 . 1 . . . . 26 LYS CB . 15534 1 275 . 1 1 26 26 LYS CD C 13 29.457 0.054 . 1 . . . . 26 LYS CD . 15534 1 276 . 1 1 26 26 LYS CE C 13 41.417 0.079 . 1 . . . . 26 LYS CE . 15534 1 277 . 1 1 26 26 LYS CG C 13 25.034 0.050 . 1 . . . . 26 LYS CG . 15534 1 278 . 1 1 26 26 LYS N N 15 118.746 0.033 . 1 . . . . 26 LYS N . 15534 1 279 . 1 1 27 27 ALA H H 1 8.378 0.005 . 1 . . . . 27 ALA H . 15534 1 280 . 1 1 27 27 ALA HA H 1 3.997 0.006 . 1 . . . . 27 ALA HA . 15534 1 281 . 1 1 27 27 ALA HB1 H 1 1.394 0.005 . 1 . . . . 27 ALA HB . 15534 1 282 . 1 1 27 27 ALA HB2 H 1 1.394 0.005 . 1 . . . . 27 ALA HB . 15534 1 283 . 1 1 27 27 ALA HB3 H 1 1.394 0.005 . 1 . . . . 27 ALA HB . 15534 1 284 . 1 1 27 27 ALA C C 13 178.747 0.100 . 1 . . . . 27 ALA C . 15534 1 285 . 1 1 27 27 ALA CA C 13 55.689 0.068 . 1 . . . . 27 ALA CA . 15534 1 286 . 1 1 27 27 ALA CB C 13 17.718 0.013 . 1 . . . . 27 ALA CB . 15534 1 287 . 1 1 27 27 ALA N N 15 121.093 0.037 . 1 . . . . 27 ALA N . 15534 1 288 . 1 1 28 28 LEU H H 1 8.423 0.003 . 1 . . . . 28 LEU H . 15534 1 289 . 1 1 28 28 LEU HA H 1 3.704 0.007 . 1 . . . . 28 LEU HA . 15534 1 290 . 1 1 28 28 LEU HB2 H 1 1.847 0.006 . 2 . . . . 28 LEU HB2 . 15534 1 291 . 1 1 28 28 LEU HB3 H 1 1.536 0.008 . 2 . . . . 28 LEU HB3 . 15534 1 292 . 1 1 28 28 LEU HD11 H 1 0.701 0.003 . 1 . . . . 28 LEU HD1 . 15534 1 293 . 1 1 28 28 LEU HD12 H 1 0.701 0.003 . 1 . . . . 28 LEU HD1 . 15534 1 294 . 1 1 28 28 LEU HD13 H 1 0.701 0.003 . 1 . . . . 28 LEU HD1 . 15534 1 295 . 1 1 28 28 LEU HD21 H 1 0.613 0.003 . 1 . . . . 28 LEU HD2 . 15534 1 296 . 1 1 28 28 LEU HD22 H 1 0.613 0.003 . 1 . . . . 28 LEU HD2 . 15534 1 297 . 1 1 28 28 LEU HD23 H 1 0.613 0.003 . 1 . . . . 28 LEU HD2 . 15534 1 298 . 1 1 28 28 LEU HG H 1 1.517 0.005 . 1 . . . . 28 LEU HG . 15534 1 299 . 1 1 28 28 LEU C C 13 178.955 0.100 . 1 . . . . 28 LEU C . 15534 1 300 . 1 1 28 28 LEU CA C 13 58.475 0.067 . 1 . . . . 28 LEU CA . 15534 1 301 . 1 1 28 28 LEU CB C 13 41.606 0.031 . 1 . . . . 28 LEU CB . 15534 1 302 . 1 1 28 28 LEU CD1 C 13 25.770 0.045 . 2 . . . . 28 LEU CD1 . 15534 1 303 . 1 1 28 28 LEU CD2 C 13 23.267 0.019 . 2 . . . . 28 LEU CD2 . 15534 1 304 . 1 1 28 28 LEU CG C 13 27.245 0.052 . 1 . . . . 28 LEU CG . 15534 1 305 . 1 1 28 28 LEU N N 15 117.707 0.031 . 1 . . . . 28 LEU N . 15534 1 306 . 1 1 29 29 VAL H H 1 8.007 0.005 . 1 . . . . 29 VAL H . 15534 1 307 . 1 1 29 29 VAL HA H 1 3.680 0.008 . 1 . . . . 29 VAL HA . 15534 1 308 . 1 1 29 29 VAL HB H 1 2.142 0.004 . 1 . . . . 29 VAL HB . 15534 1 309 . 1 1 29 29 VAL HG11 H 1 1.038 0.005 . 2 . . . . 29 VAL HG1 . 15534 1 310 . 1 1 29 29 VAL HG12 H 1 1.038 0.005 . 2 . . . . 29 VAL HG1 . 15534 1 311 . 1 1 29 29 VAL HG13 H 1 1.038 0.005 . 2 . . . . 29 VAL HG1 . 15534 1 312 . 1 1 29 29 VAL HG21 H 1 0.887 0.004 . 2 . . . . 29 VAL HG2 . 15534 1 313 . 1 1 29 29 VAL HG22 H 1 0.887 0.004 . 2 . . . . 29 VAL HG2 . 15534 1 314 . 1 1 29 29 VAL HG23 H 1 0.887 0.004 . 2 . . . . 29 VAL HG2 . 15534 1 315 . 1 1 29 29 VAL C C 13 181.204 0.100 . 1 . . . . 29 VAL C . 15534 1 316 . 1 1 29 29 VAL CA C 13 66.422 0.095 . 1 . . . . 29 VAL CA . 15534 1 317 . 1 1 29 29 VAL CB C 13 31.642 0.051 . 1 . . . . 29 VAL CB . 15534 1 318 . 1 1 29 29 VAL CG1 C 13 22.904 0.018 . 2 . . . . 29 VAL CG1 . 15534 1 319 . 1 1 29 29 VAL CG2 C 13 21.035 0.033 . 2 . . . . 29 VAL CG2 . 15534 1 320 . 1 1 29 29 VAL N N 15 119.445 0.027 . 1 . . . . 29 VAL N . 15534 1 321 . 1 1 30 30 ILE H H 1 7.845 0.004 . 1 . . . . 30 ILE H . 15534 1 322 . 1 1 30 30 ILE HA H 1 3.675 0.007 . 1 . . . . 30 ILE HA . 15534 1 323 . 1 1 30 30 ILE HB H 1 1.820 0.005 . 1 . . . . 30 ILE HB . 15534 1 324 . 1 1 30 30 ILE HD11 H 1 0.754 0.005 . 1 . . . . 30 ILE HD1 . 15534 1 325 . 1 1 30 30 ILE HD12 H 1 0.754 0.005 . 1 . . . . 30 ILE HD1 . 15534 1 326 . 1 1 30 30 ILE HD13 H 1 0.754 0.005 . 1 . . . . 30 ILE HD1 . 15534 1 327 . 1 1 30 30 ILE HG12 H 1 1.751 0.002 . 2 . . . . 30 ILE HG12 . 15534 1 328 . 1 1 30 30 ILE HG13 H 1 1.111 0.008 . 2 . . . . 30 ILE HG13 . 15534 1 329 . 1 1 30 30 ILE HG21 H 1 0.872 0.008 . 1 . . . . 30 ILE HG2 . 15534 1 330 . 1 1 30 30 ILE HG22 H 1 0.872 0.008 . 1 . . . . 30 ILE HG2 . 15534 1 331 . 1 1 30 30 ILE HG23 H 1 0.872 0.008 . 1 . . . . 30 ILE HG2 . 15534 1 332 . 1 1 30 30 ILE C C 13 176.698 0.100 . 1 . . . . 30 ILE C . 15534 1 333 . 1 1 30 30 ILE CA C 13 64.479 0.065 . 1 . . . . 30 ILE CA . 15534 1 334 . 1 1 30 30 ILE CB C 13 38.039 0.053 . 1 . . . . 30 ILE CB . 15534 1 335 . 1 1 30 30 ILE CD1 C 13 14.331 0.046 . 1 . . . . 30 ILE CD1 . 15534 1 336 . 1 1 30 30 ILE CG1 C 13 29.232 0.040 . 1 . . . . 30 ILE CG1 . 15534 1 337 . 1 1 30 30 ILE CG2 C 13 18.383 0.018 . 1 . . . . 30 ILE CG2 . 15534 1 338 . 1 1 30 30 ILE N N 15 122.242 0.031 . 1 . . . . 30 ILE N . 15534 1 339 . 1 1 31 31 ALA H H 1 8.015 0.003 . 1 . . . . 31 ALA H . 15534 1 340 . 1 1 31 31 ALA HA H 1 4.413 0.006 . 1 . . . . 31 ALA HA . 15534 1 341 . 1 1 31 31 ALA HB1 H 1 1.442 0.004 . 1 . . . . 31 ALA HB . 15534 1 342 . 1 1 31 31 ALA HB2 H 1 1.442 0.004 . 1 . . . . 31 ALA HB . 15534 1 343 . 1 1 31 31 ALA HB3 H 1 1.442 0.004 . 1 . . . . 31 ALA HB . 15534 1 344 . 1 1 31 31 ALA C C 13 176.807 0.100 . 1 . . . . 31 ALA C . 15534 1 345 . 1 1 31 31 ALA CA C 13 51.519 0.033 . 1 . . . . 31 ALA CA . 15534 1 346 . 1 1 31 31 ALA CB C 13 19.836 0.044 . 1 . . . . 31 ALA CB . 15534 1 347 . 1 1 31 31 ALA N N 15 117.218 0.025 . 1 . . . . 31 ALA N . 15534 1 348 . 1 1 32 32 GLN H H 1 7.922 0.003 . 1 . . . . 32 GLN H . 15534 1 349 . 1 1 32 32 GLN HA H 1 3.871 0.006 . 1 . . . . 32 GLN HA . 15534 1 350 . 1 1 32 32 GLN HB2 H 1 2.152 0.006 . 2 . . . . 32 GLN HB2 . 15534 1 351 . 1 1 32 32 GLN HE21 H 1 7.477 0.002 . 2 . . . . 32 GLN HE21 . 15534 1 352 . 1 1 32 32 GLN HE22 H 1 6.834 0.002 . 2 . . . . 32 GLN HE22 . 15534 1 353 . 1 1 32 32 GLN HG2 H 1 2.285 0.005 . 2 . . . . 32 GLN HG2 . 15534 1 354 . 1 1 32 32 GLN C C 13 176.217 0.100 . 1 . . . . 32 GLN C . 15534 1 355 . 1 1 32 32 GLN CA C 13 56.661 0.074 . 1 . . . . 32 GLN CA . 15534 1 356 . 1 1 32 32 GLN CB C 13 25.684 0.032 . 1 . . . . 32 GLN CB . 15534 1 357 . 1 1 32 32 GLN CG C 13 33.959 0.072 . 1 . . . . 32 GLN CG . 15534 1 358 . 1 1 32 32 GLN N N 15 118.334 0.032 . 1 . . . . 32 GLN N . 15534 1 359 . 1 1 32 32 GLN NE2 N 15 112.169 0.015 . 1 . . . . 32 GLN NE2 . 15534 1 360 . 1 1 33 33 ASN H H 1 9.136 0.003 . 1 . . . . 33 ASN H . 15534 1 361 . 1 1 33 33 ASN HA H 1 3.996 0.004 . 1 . . . . 33 ASN HA . 15534 1 362 . 1 1 33 33 ASN HB2 H 1 3.009 0.006 . 2 . . . . 33 ASN HB2 . 15534 1 363 . 1 1 33 33 ASN HD21 H 1 7.438 0.002 . 2 . . . . 33 ASN HD21 . 15534 1 364 . 1 1 33 33 ASN HD22 H 1 6.606 0.002 . 2 . . . . 33 ASN HD22 . 15534 1 365 . 1 1 33 33 ASN C C 13 173.131 0.100 . 1 . . . . 33 ASN C . 15534 1 366 . 1 1 33 33 ASN CA C 13 54.749 0.069 . 1 . . . . 33 ASN CA . 15534 1 367 . 1 1 33 33 ASN CB C 13 36.837 0.077 . 1 . . . . 33 ASN CB . 15534 1 368 . 1 1 33 33 ASN N N 15 108.905 0.033 . 1 . . . . 33 ASN N . 15534 1 369 . 1 1 33 33 ASN ND2 N 15 111.284 0.026 . 1 . . . . 33 ASN ND2 . 15534 1 370 . 1 1 34 34 ASN H H 1 7.331 0.003 . 1 . . . . 34 ASN H . 15534 1 371 . 1 1 34 34 ASN HA H 1 4.765 0.005 . 1 . . . . 34 ASN HA . 15534 1 372 . 1 1 34 34 ASN HB2 H 1 3.209 0.004 . 2 . . . . 34 ASN HB2 . 15534 1 373 . 1 1 34 34 ASN HB3 H 1 2.817 0.007 . 2 . . . . 34 ASN HB3 . 15534 1 374 . 1 1 34 34 ASN HD21 H 1 7.800 0.002 . 2 . . . . 34 ASN HD21 . 15534 1 375 . 1 1 34 34 ASN HD22 H 1 7.190 0.002 . 2 . . . . 34 ASN HD22 . 15534 1 376 . 1 1 34 34 ASN C C 13 175.406 0.100 . 1 . . . . 34 ASN C . 15534 1 377 . 1 1 34 34 ASN CA C 13 52.793 0.105 . 1 . . . . 34 ASN CA . 15534 1 378 . 1 1 34 34 ASN CB C 13 38.594 0.030 . 1 . . . . 34 ASN CB . 15534 1 379 . 1 1 34 34 ASN N N 15 117.947 0.028 . 1 . . . . 34 ASN N . 15534 1 380 . 1 1 34 34 ASN ND2 N 15 113.270 0.044 . 1 . . . . 34 ASN ND2 . 15534 1 381 . 1 1 35 35 ILE H H 1 8.480 0.002 . 1 . . . . 35 ILE H . 15534 1 382 . 1 1 35 35 ILE HA H 1 3.740 0.006 . 1 . . . . 35 ILE HA . 15534 1 383 . 1 1 35 35 ILE HB H 1 1.803 0.005 . 1 . . . . 35 ILE HB . 15534 1 384 . 1 1 35 35 ILE HD11 H 1 0.786 0.008 . 1 . . . . 35 ILE HD1 . 15534 1 385 . 1 1 35 35 ILE HD12 H 1 0.786 0.008 . 1 . . . . 35 ILE HD1 . 15534 1 386 . 1 1 35 35 ILE HD13 H 1 0.786 0.008 . 1 . . . . 35 ILE HD1 . 15534 1 387 . 1 1 35 35 ILE HG12 H 1 1.395 0.008 . 2 . . . . 35 ILE HG12 . 15534 1 388 . 1 1 35 35 ILE HG13 H 1 1.209 0.005 . 2 . . . . 35 ILE HG13 . 15534 1 389 . 1 1 35 35 ILE HG21 H 1 0.917 0.006 . 1 . . . . 35 ILE HG2 . 15534 1 390 . 1 1 35 35 ILE HG22 H 1 0.917 0.006 . 1 . . . . 35 ILE HG2 . 15534 1 391 . 1 1 35 35 ILE HG23 H 1 0.917 0.006 . 1 . . . . 35 ILE HG2 . 15534 1 392 . 1 1 35 35 ILE C C 13 175.910 0.100 . 1 . . . . 35 ILE C . 15534 1 393 . 1 1 35 35 ILE CA C 13 62.188 0.057 . 1 . . . . 35 ILE CA . 15534 1 394 . 1 1 35 35 ILE CB C 13 37.995 0.045 . 1 . . . . 35 ILE CB . 15534 1 395 . 1 1 35 35 ILE CD1 C 13 13.238 0.100 . 1 . . . . 35 ILE CD1 . 15534 1 396 . 1 1 35 35 ILE CG1 C 13 29.337 0.041 . 1 . . . . 35 ILE CG1 . 15534 1 397 . 1 1 35 35 ILE CG2 C 13 18.402 0.037 . 1 . . . . 35 ILE CG2 . 15534 1 398 . 1 1 35 35 ILE N N 15 127.869 0.031 . 1 . . . . 35 ILE N . 15534 1 399 . 1 1 36 36 GLU H H 1 7.981 0.003 . 1 . . . . 36 GLU H . 15534 1 400 . 1 1 36 36 GLU HA H 1 3.946 0.004 . 1 . . . . 36 GLU HA . 15534 1 401 . 1 1 36 36 GLU HB2 H 1 2.075 0.005 . 2 . . . . 36 GLU HB2 . 15534 1 402 . 1 1 36 36 GLU HG2 H 1 2.288 0.007 . 2 . . . . 36 GLU HG2 . 15534 1 403 . 1 1 36 36 GLU C C 13 178.929 0.100 . 1 . . . . 36 GLU C . 15534 1 404 . 1 1 36 36 GLU CA C 13 59.503 0.044 . 1 . . . . 36 GLU CA . 15534 1 405 . 1 1 36 36 GLU CB C 13 28.917 0.100 . 1 . . . . 36 GLU CB . 15534 1 406 . 1 1 36 36 GLU CG C 13 36.168 0.043 . 1 . . . . 36 GLU CG . 15534 1 407 . 1 1 36 36 GLU N N 15 121.943 0.060 . 1 . . . . 36 GLU N . 15534 1 408 . 1 1 37 37 MET H H 1 7.702 0.001 . 1 . . . . 37 MET H . 15534 1 409 . 1 1 37 37 MET HA H 1 4.161 0.005 . 1 . . . . 37 MET HA . 15534 1 410 . 1 1 37 37 MET HB2 H 1 2.126 0.005 . 2 . . . . 37 MET HB2 . 15534 1 411 . 1 1 37 37 MET HB3 H 1 1.899 0.005 . 2 . . . . 37 MET HB3 . 15534 1 412 . 1 1 37 37 MET HG2 H 1 2.586 0.005 . 2 . . . . 37 MET HG2 . 15534 1 413 . 1 1 37 37 MET HG3 H 1 2.306 0.006 . 2 . . . . 37 MET HG3 . 15534 1 414 . 1 1 37 37 MET C C 13 178.334 0.100 . 1 . . . . 37 MET C . 15534 1 415 . 1 1 37 37 MET CA C 13 58.565 0.055 . 1 . . . . 37 MET CA . 15534 1 416 . 1 1 37 37 MET CB C 13 32.721 0.037 . 1 . . . . 37 MET CB . 15534 1 417 . 1 1 37 37 MET CG C 13 32.013 0.041 . 1 . . . . 37 MET CG . 15534 1 418 . 1 1 37 37 MET N N 15 118.928 0.031 . 1 . . . . 37 MET N . 15534 1 419 . 1 1 38 38 ALA H H 1 8.330 0.002 . 1 . . . . 38 ALA H . 15534 1 420 . 1 1 38 38 ALA HA H 1 3.696 0.007 . 1 . . . . 38 ALA HA . 15534 1 421 . 1 1 38 38 ALA HB1 H 1 1.182 0.004 . 1 . . . . 38 ALA HB . 15534 1 422 . 1 1 38 38 ALA HB2 H 1 1.182 0.004 . 1 . . . . 38 ALA HB . 15534 1 423 . 1 1 38 38 ALA HB3 H 1 1.182 0.004 . 1 . . . . 38 ALA HB . 15534 1 424 . 1 1 38 38 ALA C C 13 178.901 0.100 . 1 . . . . 38 ALA C . 15534 1 425 . 1 1 38 38 ALA CA C 13 55.577 0.069 . 1 . . . . 38 ALA CA . 15534 1 426 . 1 1 38 38 ALA CB C 13 17.514 0.021 . 1 . . . . 38 ALA CB . 15534 1 427 . 1 1 38 38 ALA N N 15 121.150 0.044 . 1 . . . . 38 ALA N . 15534 1 428 . 1 1 39 39 LYS H H 1 8.381 0.002 . 1 . . . . 39 LYS H . 15534 1 429 . 1 1 39 39 LYS HA H 1 3.559 0.004 . 1 . . . . 39 LYS HA . 15534 1 430 . 1 1 39 39 LYS HB2 H 1 1.887 0.007 . 2 . . . . 39 LYS HB2 . 15534 1 431 . 1 1 39 39 LYS HB3 H 1 1.745 0.007 . 2 . . . . 39 LYS HB3 . 15534 1 432 . 1 1 39 39 LYS HD2 H 1 1.663 0.006 . 2 . . . . 39 LYS HD2 . 15534 1 433 . 1 1 39 39 LYS HE2 H 1 2.807 0.004 . 2 . . . . 39 LYS HE2 . 15534 1 434 . 1 1 39 39 LYS HG2 H 1 1.681 0.006 . 2 . . . . 39 LYS HG2 . 15534 1 435 . 1 1 39 39 LYS HG3 H 1 1.314 0.006 . 2 . . . . 39 LYS HG3 . 15534 1 436 . 1 1 39 39 LYS C C 13 178.530 0.100 . 1 . . . . 39 LYS C . 15534 1 437 . 1 1 39 39 LYS CA C 13 60.497 0.064 . 1 . . . . 39 LYS CA . 15534 1 438 . 1 1 39 39 LYS CB C 13 32.038 0.058 . 1 . . . . 39 LYS CB . 15534 1 439 . 1 1 39 39 LYS CD C 13 29.633 0.048 . 1 . . . . 39 LYS CD . 15534 1 440 . 1 1 39 39 LYS CE C 13 41.524 0.093 . 1 . . . . 39 LYS CE . 15534 1 441 . 1 1 39 39 LYS CG C 13 26.642 0.048 . 1 . . . . 39 LYS CG . 15534 1 442 . 1 1 39 39 LYS N N 15 115.836 0.030 . 1 . . . . 39 LYS N . 15534 1 443 . 1 1 40 40 ASN H H 1 7.541 0.003 . 1 . . . . 40 ASN H . 15534 1 444 . 1 1 40 40 ASN HA H 1 4.437 0.005 . 1 . . . . 40 ASN HA . 15534 1 445 . 1 1 40 40 ASN HB2 H 1 2.996 0.004 . 2 . . . . 40 ASN HB2 . 15534 1 446 . 1 1 40 40 ASN HB3 H 1 2.716 0.003 . 2 . . . . 40 ASN HB3 . 15534 1 447 . 1 1 40 40 ASN HD21 H 1 7.500 0.002 . 2 . . . . 40 ASN HD21 . 15534 1 448 . 1 1 40 40 ASN HD22 H 1 7.104 0.002 . 2 . . . . 40 ASN HD22 . 15534 1 449 . 1 1 40 40 ASN C C 13 177.080 0.100 . 1 . . . . 40 ASN C . 15534 1 450 . 1 1 40 40 ASN CA C 13 55.896 0.073 . 1 . . . . 40 ASN CA . 15534 1 451 . 1 1 40 40 ASN CB C 13 38.345 0.023 . 1 . . . . 40 ASN CB . 15534 1 452 . 1 1 40 40 ASN N N 15 118.551 0.043 . 1 . . . . 40 ASN N . 15534 1 453 . 1 1 40 40 ASN ND2 N 15 112.758 0.021 . 1 . . . . 40 ASN ND2 . 15534 1 454 . 1 1 41 41 ILE H H 1 8.124 0.002 . 1 . . . . 41 ILE H . 15534 1 455 . 1 1 41 41 ILE HA H 1 3.394 0.008 . 1 . . . . 41 ILE HA . 15534 1 456 . 1 1 41 41 ILE HB H 1 1.806 0.006 . 1 . . . . 41 ILE HB . 15534 1 457 . 1 1 41 41 ILE HD11 H 1 0.752 0.004 . 1 . . . . 41 ILE HD1 . 15534 1 458 . 1 1 41 41 ILE HD12 H 1 0.752 0.004 . 1 . . . . 41 ILE HD1 . 15534 1 459 . 1 1 41 41 ILE HD13 H 1 0.752 0.004 . 1 . . . . 41 ILE HD1 . 15534 1 460 . 1 1 41 41 ILE HG12 H 1 1.965 0.006 . 2 . . . . 41 ILE HG12 . 15534 1 461 . 1 1 41 41 ILE HG13 H 1 0.614 0.006 . 2 . . . . 41 ILE HG13 . 15534 1 462 . 1 1 41 41 ILE HG21 H 1 0.235 0.007 . 1 . . . . 41 ILE HG2 . 15534 1 463 . 1 1 41 41 ILE HG22 H 1 0.235 0.007 . 1 . . . . 41 ILE HG2 . 15534 1 464 . 1 1 41 41 ILE HG23 H 1 0.235 0.007 . 1 . . . . 41 ILE HG2 . 15534 1 465 . 1 1 41 41 ILE C C 13 177.101 0.100 . 1 . . . . 41 ILE C . 15534 1 466 . 1 1 41 41 ILE CA C 13 66.365 0.076 . 1 . . . . 41 ILE CA . 15534 1 467 . 1 1 41 41 ILE CB C 13 38.343 0.088 . 1 . . . . 41 ILE CB . 15534 1 468 . 1 1 41 41 ILE CD1 C 13 14.371 0.039 . 1 . . . . 41 ILE CD1 . 15534 1 469 . 1 1 41 41 ILE CG1 C 13 29.981 0.042 . 1 . . . . 41 ILE CG1 . 15534 1 470 . 1 1 41 41 ILE CG2 C 13 17.196 0.016 . 1 . . . . 41 ILE CG2 . 15534 1 471 . 1 1 41 41 ILE N N 15 120.333 0.042 . 1 . . . . 41 ILE N . 15534 1 472 . 1 1 42 42 LEU H H 1 7.691 0.004 . 1 . . . . 42 LEU H . 15534 1 473 . 1 1 42 42 LEU HA H 1 3.446 0.006 . 1 . . . . 42 LEU HA . 15534 1 474 . 1 1 42 42 LEU HB2 H 1 1.217 0.008 . 2 . . . . 42 LEU HB2 . 15534 1 475 . 1 1 42 42 LEU HB3 H 1 0.399 0.008 . 2 . . . . 42 LEU HB3 . 15534 1 476 . 1 1 42 42 LEU HD11 H 1 0.280 0.007 . 1 . . . . 42 LEU HD1 . 15534 1 477 . 1 1 42 42 LEU HD12 H 1 0.280 0.007 . 1 . . . . 42 LEU HD1 . 15534 1 478 . 1 1 42 42 LEU HD13 H 1 0.280 0.007 . 1 . . . . 42 LEU HD1 . 15534 1 479 . 1 1 42 42 LEU HD21 H 1 0.391 0.007 . 1 . . . . 42 LEU HD2 . 15534 1 480 . 1 1 42 42 LEU HD22 H 1 0.391 0.007 . 1 . . . . 42 LEU HD2 . 15534 1 481 . 1 1 42 42 LEU HD23 H 1 0.391 0.007 . 1 . . . . 42 LEU HD2 . 15534 1 482 . 1 1 42 42 LEU HG H 1 1.339 0.006 . 1 . . . . 42 LEU HG . 15534 1 483 . 1 1 42 42 LEU C C 13 177.954 0.100 . 1 . . . . 42 LEU C . 15534 1 484 . 1 1 42 42 LEU CA C 13 57.389 0.064 . 1 . . . . 42 LEU CA . 15534 1 485 . 1 1 42 42 LEU CB C 13 40.277 0.032 . 1 . . . . 42 LEU CB . 15534 1 486 . 1 1 42 42 LEU CG C 13 26.213 0.070 . 2 . . . . 42 LEU CG . 15534 1 487 . 1 1 42 42 LEU CD2 C 13 21.789 0.025 . 2 . . . . 42 LEU CD2 . 15534 1 488 . 1 1 42 42 LEU CD1 C 13 27.438 0.023 . 1 . . . . 42 LEU CD1 . 15534 1 489 . 1 1 42 42 LEU N N 15 117.781 0.031 . 1 . . . . 42 LEU N . 15534 1 490 . 1 1 43 43 ARG H H 1 7.937 0.004 . 1 . . . . 43 ARG H . 15534 1 491 . 1 1 43 43 ARG HA H 1 4.052 0.005 . 1 . . . . 43 ARG HA . 15534 1 492 . 1 1 43 43 ARG HB2 H 1 1.909 0.004 . 2 . . . . 43 ARG HB2 . 15534 1 493 . 1 1 43 43 ARG HB3 H 1 1.815 0.004 . 2 . . . . 43 ARG HB3 . 15534 1 494 . 1 1 43 43 ARG HD2 H 1 3.208 0.004 . 2 . . . . 43 ARG HD2 . 15534 1 495 . 1 1 43 43 ARG HE H 1 7.262 0.007 . 1 . . . . 43 ARG HE . 15534 1 496 . 1 1 43 43 ARG HG2 H 1 1.687 0.006 . 2 . . . . 43 ARG HG2 . 15534 1 497 . 1 1 43 43 ARG HG3 H 1 1.555 0.008 . 2 . . . . 43 ARG HG3 . 15534 1 498 . 1 1 43 43 ARG C C 13 179.197 0.100 . 1 . . . . 43 ARG C . 15534 1 499 . 1 1 43 43 ARG CA C 13 58.822 0.067 . 1 . . . . 43 ARG CA . 15534 1 500 . 1 1 43 43 ARG CB C 13 30.452 0.017 . 1 . . . . 43 ARG CB . 15534 1 501 . 1 1 43 43 ARG CD C 13 43.183 0.058 . 1 . . . . 43 ARG CD . 15534 1 502 . 1 1 43 43 ARG CG C 13 27.720 0.053 . 1 . . . . 43 ARG CG . 15534 1 503 . 1 1 43 43 ARG N N 15 115.299 0.032 . 1 . . . . 43 ARG N . 15534 1 504 . 1 1 43 43 ARG NE N 15 84.608 0.100 . 1 . . . . 43 ARG NE . 15534 1 505 . 1 1 44 44 GLU H H 1 7.551 0.003 . 1 . . . . 44 GLU H . 15534 1 506 . 1 1 44 44 GLU HA H 1 4.128 0.006 . 1 . . . . 44 GLU HA . 15534 1 507 . 1 1 44 44 GLU HB2 H 1 1.514 0.004 . 2 . . . . 44 GLU HB2 . 15534 1 508 . 1 1 44 44 GLU HB3 H 1 1.244 0.005 . 2 . . . . 44 GLU HB3 . 15534 1 509 . 1 1 44 44 GLU HG2 H 1 2.071 0.007 . 2 . . . . 44 GLU HG2 . 15534 1 510 . 1 1 44 44 GLU HG3 H 1 1.816 0.005 . 2 . . . . 44 GLU HG3 . 15534 1 511 . 1 1 44 44 GLU C C 13 178.019 0.100 . 1 . . . . 44 GLU C . 15534 1 512 . 1 1 44 44 GLU CA C 13 56.999 0.065 . 1 . . . . 44 GLU CA . 15534 1 513 . 1 1 44 44 GLU CB C 13 30.632 0.043 . 1 . . . . 44 GLU CB . 15534 1 514 . 1 1 44 44 GLU CG C 13 35.429 0.057 . 1 . . . . 44 GLU CG . 15534 1 515 . 1 1 44 44 GLU N N 15 113.610 0.040 . 1 . . . . 44 GLU N . 15534 1 516 . 1 1 45 45 PHE H H 1 7.982 0.006 . 1 . . . . 45 PHE H . 15534 1 517 . 1 1 45 45 PHE HA H 1 4.763 0.006 . 1 . . . . 45 PHE HA . 15534 1 518 . 1 1 45 45 PHE HB2 H 1 3.222 0.008 . 2 . . . . 45 PHE HB2 . 15534 1 519 . 1 1 45 45 PHE HB3 H 1 2.516 0.006 . 2 . . . . 45 PHE HB3 . 15534 1 520 . 1 1 45 45 PHE C C 13 175.412 0.100 . 1 . . . . 45 PHE C . 15534 1 521 . 1 1 45 45 PHE CA C 13 59.245 0.059 . 1 . . . . 45 PHE CA . 15534 1 522 . 1 1 45 45 PHE CB C 13 40.827 0.049 . 1 . . . . 45 PHE CB . 15534 1 523 . 1 1 45 45 PHE N N 15 112.383 0.028 . 1 . . . . 45 PHE N . 15534 1 524 . 1 1 46 46 VAL H H 1 7.990 0.004 . 1 . . . . 46 VAL H . 15534 1 525 . 1 1 46 46 VAL HA H 1 4.458 0.004 . 1 . . . . 46 VAL HA . 15534 1 526 . 1 1 46 46 VAL HB H 1 2.527 0.004 . 1 . . . . 46 VAL HB . 15534 1 527 . 1 1 46 46 VAL HG11 H 1 0.843 0.006 . 2 . . . . 46 VAL HG1 . 15534 1 528 . 1 1 46 46 VAL HG12 H 1 0.843 0.006 . 2 . . . . 46 VAL HG1 . 15534 1 529 . 1 1 46 46 VAL HG13 H 1 0.843 0.006 . 2 . . . . 46 VAL HG1 . 15534 1 530 . 1 1 46 46 VAL HG21 H 1 1.179 0.004 . 2 . . . . 46 VAL HG2 . 15534 1 531 . 1 1 46 46 VAL HG22 H 1 1.179 0.004 . 2 . . . . 46 VAL HG2 . 15534 1 532 . 1 1 46 46 VAL HG23 H 1 1.179 0.004 . 2 . . . . 46 VAL HG2 . 15534 1 533 . 1 1 46 46 VAL C C 13 175.066 0.100 . 1 . . . . 46 VAL C . 15534 1 534 . 1 1 46 46 VAL CA C 13 62.428 0.074 . 1 . . . . 46 VAL CA . 15534 1 535 . 1 1 46 46 VAL CB C 13 32.577 0.041 . 1 . . . . 46 VAL CB . 15534 1 536 . 1 1 46 46 VAL CG1 C 13 22.689 0.030 . 2 . . . . 46 VAL CG1 . 15534 1 537 . 1 1 46 46 VAL CG2 C 13 22.047 0.017 . 2 . . . . 46 VAL CG2 . 15534 1 538 . 1 1 46 46 VAL N N 15 121.529 0.066 . 1 . . . . 46 VAL N . 15534 1 539 . 1 1 47 47 SER H H 1 8.696 0.002 . 1 . . . . 47 SER H . 15534 1 540 . 1 1 47 47 SER HA H 1 4.606 0.010 . 1 . . . . 47 SER HA . 15534 1 541 . 1 1 47 47 SER HB2 H 1 3.851 0.006 . 2 . . . . 47 SER HB2 . 15534 1 542 . 1 1 47 47 SER C C 13 174.673 0.100 . 1 . . . . 47 SER C . 15534 1 543 . 1 1 47 47 SER CA C 13 58.035 0.025 . 1 . . . . 47 SER CA . 15534 1 544 . 1 1 47 47 SER CB C 13 63.657 0.094 . 1 . . . . 47 SER CB . 15534 1 545 . 1 1 47 47 SER N N 15 122.226 0.035 . 1 . . . . 47 SER N . 15534 1 546 . 1 1 48 48 ILE H H 1 8.367 0.001 . 1 . . . . 48 ILE H . 15534 1 547 . 1 1 48 48 ILE HA H 1 4.117 0.005 . 1 . . . . 48 ILE HA . 15534 1 548 . 1 1 48 48 ILE HB H 1 1.715 0.003 . 1 . . . . 48 ILE HB . 15534 1 549 . 1 1 48 48 ILE HD11 H 1 0.432 0.005 . 1 . . . . 48 ILE HD1 . 15534 1 550 . 1 1 48 48 ILE HD12 H 1 0.432 0.005 . 1 . . . . 48 ILE HD1 . 15534 1 551 . 1 1 48 48 ILE HD13 H 1 0.432 0.005 . 1 . . . . 48 ILE HD1 . 15534 1 552 . 1 1 48 48 ILE HG12 H 1 1.173 0.006 . 2 . . . . 48 ILE HG12 . 15534 1 553 . 1 1 48 48 ILE HG13 H 1 0.805 0.006 . 2 . . . . 48 ILE HG13 . 15534 1 554 . 1 1 48 48 ILE HG21 H 1 0.587 0.005 . 1 . . . . 48 ILE HG2 . 15534 1 555 . 1 1 48 48 ILE HG22 H 1 0.587 0.005 . 1 . . . . 48 ILE HG2 . 15534 1 556 . 1 1 48 48 ILE HG23 H 1 0.587 0.005 . 1 . . . . 48 ILE HG2 . 15534 1 557 . 1 1 48 48 ILE C C 13 176.350 0.100 . 1 . . . . 48 ILE C . 15534 1 558 . 1 1 48 48 ILE CA C 13 60.909 0.076 . 1 . . . . 48 ILE CA . 15534 1 559 . 1 1 48 48 ILE CB C 13 39.306 0.042 . 1 . . . . 48 ILE CB . 15534 1 560 . 1 1 48 48 ILE CD1 C 13 12.726 0.027 . 1 . . . . 48 ILE CD1 . 15534 1 561 . 1 1 48 48 ILE CG1 C 13 26.744 0.044 . 1 . . . . 48 ILE CG1 . 15534 1 562 . 1 1 48 48 ILE CG2 C 13 17.860 0.020 . 1 . . . . 48 ILE CG2 . 15534 1 563 . 1 1 48 48 ILE N N 15 123.249 0.027 . 1 . . . . 48 ILE N . 15534 1 564 . 1 1 49 49 SER H H 1 8.350 0.002 . 1 . . . . 49 SER H . 15534 1 565 . 1 1 49 49 SER HA H 1 4.497 0.004 . 1 . . . . 49 SER HA . 15534 1 566 . 1 1 49 49 SER HB2 H 1 3.841 0.009 . 2 . . . . 49 SER HB2 . 15534 1 567 . 1 1 49 49 SER C C 13 174.123 0.100 . 1 . . . . 49 SER C . 15534 1 568 . 1 1 49 49 SER CA C 13 58.158 0.061 . 1 . . . . 49 SER CA . 15534 1 569 . 1 1 49 49 SER CB C 13 63.825 0.114 . 1 . . . . 49 SER CB . 15534 1 570 . 1 1 49 49 SER N N 15 119.333 0.021 . 1 . . . . 49 SER N . 15534 1 571 . 1 1 50 50 SER H H 1 8.300 0.003 . 1 . . . . 50 SER H . 15534 1 572 . 1 1 50 50 SER HA H 1 4.766 0.003 . 1 . . . . 50 SER HA . 15534 1 573 . 1 1 50 50 SER HB2 H 1 3.821 0.007 . 2 . . . . 50 SER HB2 . 15534 1 574 . 1 1 50 50 SER CA C 13 56.318 0.100 . 1 . . . . 50 SER CA . 15534 1 575 . 1 1 50 50 SER CB C 13 63.388 0.100 . 1 . . . . 50 SER CB . 15534 1 576 . 1 1 50 50 SER N N 15 119.033 0.034 . 1 . . . . 50 SER N . 15534 1 577 . 1 1 51 51 PRO HA H 1 4.397 0.003 . 1 . . . . 51 PRO HA . 15534 1 578 . 1 1 51 51 PRO HB2 H 1 2.279 0.007 . 2 . . . . 51 PRO HB2 . 15534 1 579 . 1 1 51 51 PRO HB3 H 1 1.872 0.001 . 2 . . . . 51 PRO HB3 . 15534 1 580 . 1 1 51 51 PRO HD2 H 1 3.801 0.020 . 2 . . . . 51 PRO HD2 . 15534 1 581 . 1 1 51 51 PRO HD3 H 1 3.685 0.020 . 2 . . . . 51 PRO HD3 . 15534 1 582 . 1 1 51 51 PRO HG2 H 1 1.990 0.008 . 2 . . . . 51 PRO HG2 . 15534 1 583 . 1 1 51 51 PRO C C 13 176.631 0.100 . 1 . . . . 51 PRO C . 15534 1 584 . 1 1 51 51 PRO CA C 13 63.282 0.074 . 1 . . . . 51 PRO CA . 15534 1 585 . 1 1 51 51 PRO CB C 13 32.100 0.100 . 1 . . . . 51 PRO CB . 15534 1 586 . 1 1 51 51 PRO CD C 13 50.734 0.026 . 1 . . . . 51 PRO CD . 15534 1 587 . 1 1 51 51 PRO CG C 13 27.325 0.100 . 1 . . . . 51 PRO CG . 15534 1 588 . 1 1 52 52 ALA H H 1 8.295 0.002 . 1 . . . . 52 ALA H . 15534 1 589 . 1 1 52 52 ALA HA H 1 4.238 0.007 . 1 . . . . 52 ALA HA . 15534 1 590 . 1 1 52 52 ALA HB1 H 1 1.324 0.007 . 1 . . . . 52 ALA HB . 15534 1 591 . 1 1 52 52 ALA HB2 H 1 1.324 0.007 . 1 . . . . 52 ALA HB . 15534 1 592 . 1 1 52 52 ALA HB3 H 1 1.324 0.007 . 1 . . . . 52 ALA HB . 15534 1 593 . 1 1 52 52 ALA C C 13 177.552 0.100 . 1 . . . . 52 ALA C . 15534 1 594 . 1 1 52 52 ALA CA C 13 52.422 0.079 . 1 . . . . 52 ALA CA . 15534 1 595 . 1 1 52 52 ALA CB C 13 19.084 0.072 . 1 . . . . 52 ALA CB . 15534 1 596 . 1 1 52 52 ALA N N 15 123.836 0.090 . 1 . . . . 52 ALA N . 15534 1 597 . 1 1 53 53 HIS H H 1 8.308 0.002 . 1 . . . . 53 HIS H . 15534 1 598 . 1 1 53 53 HIS HA H 1 4.639 0.008 . 1 . . . . 53 HIS HA . 15534 1 599 . 1 1 53 53 HIS HB2 H 1 3.112 0.002 . 2 . . . . 53 HIS HB2 . 15534 1 600 . 1 1 53 53 HIS C C 13 174.625 0.100 . 1 . . . . 53 HIS C . 15534 1 601 . 1 1 53 53 HIS CA C 13 55.767 0.030 . 1 . . . . 53 HIS CA . 15534 1 602 . 1 1 53 53 HIS CB C 13 30.191 0.125 . 1 . . . . 53 HIS CB . 15534 1 603 . 1 1 53 53 HIS N N 15 118.515 0.027 . 1 . . . . 53 HIS N . 15534 1 604 . 1 1 54 54 VAL H H 1 8.061 0.005 . 1 . . . . 54 VAL H . 15534 1 605 . 1 1 54 54 VAL HA H 1 4.085 0.006 . 1 . . . . 54 VAL HA . 15534 1 606 . 1 1 54 54 VAL HB H 1 2.005 0.001 . 1 . . . . 54 VAL HB . 15534 1 607 . 1 1 54 54 VAL HG11 H 1 0.894 0.003 . 2 . . . . 54 VAL HG1 . 15534 1 608 . 1 1 54 54 VAL HG12 H 1 0.894 0.003 . 2 . . . . 54 VAL HG1 . 15534 1 609 . 1 1 54 54 VAL HG13 H 1 0.894 0.003 . 2 . . . . 54 VAL HG1 . 15534 1 610 . 1 1 54 54 VAL HG21 H 1 0.887 0.002 . 2 . . . . 54 VAL HG2 . 15534 1 611 . 1 1 54 54 VAL HG22 H 1 0.887 0.002 . 2 . . . . 54 VAL HG2 . 15534 1 612 . 1 1 54 54 VAL HG23 H 1 0.887 0.002 . 2 . . . . 54 VAL HG2 . 15534 1 613 . 1 1 54 54 VAL C C 13 175.353 0.100 . 1 . . . . 54 VAL C . 15534 1 614 . 1 1 54 54 VAL CA C 13 61.953 0.062 . 1 . . . . 54 VAL CA . 15534 1 615 . 1 1 54 54 VAL CB C 13 32.989 0.048 . 1 . . . . 54 VAL CB . 15534 1 616 . 1 1 54 54 VAL CG1 C 13 21.132 0.103 . 2 . . . . 54 VAL CG1 . 15534 1 617 . 1 1 54 54 VAL CG2 C 13 20.358 0.064 . 2 . . . . 54 VAL CG2 . 15534 1 618 . 1 1 54 54 VAL N N 15 122.573 0.048 . 1 . . . . 54 VAL N . 15534 1 619 . 1 1 55 55 ALA H H 1 8.410 0.002 . 1 . . . . 55 ALA H . 15534 1 620 . 1 1 55 55 ALA HA H 1 4.401 0.009 . 1 . . . . 55 ALA HA . 15534 1 621 . 1 1 55 55 ALA HB1 H 1 1.415 0.005 . 1 . . . . 55 ALA HB . 15534 1 622 . 1 1 55 55 ALA HB2 H 1 1.415 0.005 . 1 . . . . 55 ALA HB . 15534 1 623 . 1 1 55 55 ALA HB3 H 1 1.415 0.005 . 1 . . . . 55 ALA HB . 15534 1 624 . 1 1 55 55 ALA C C 13 176.922 0.100 . 1 . . . . 55 ALA C . 15534 1 625 . 1 1 55 55 ALA CA C 13 52.543 0.075 . 1 . . . . 55 ALA CA . 15534 1 626 . 1 1 55 55 ALA CB C 13 19.483 0.033 . 1 . . . . 55 ALA CB . 15534 1 627 . 1 1 55 55 ALA N N 15 128.839 0.040 . 1 . . . . 55 ALA N . 15534 1 628 . 1 1 56 56 THR H H 1 7.756 0.003 . 1 . . . . 56 THR H . 15534 1 629 . 1 1 56 56 THR HA H 1 4.125 0.020 . 1 . . . . 56 THR HA . 15534 1 630 . 1 1 56 56 THR N N 15 119.314 0.028 . 1 . . . . 56 THR N . 15534 1 stop_ save_