data_16156 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16156 _Entry.Title ; Solution Structure of the Coiled-coil Domain of Synphilin-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-02 _Entry.Accession_date 2009-02-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 Yuanyuan Xie . . . 16156 2 Chenjie Zhou . . . 16156 3 Ziren Zhou . . . 16156 4 Hongyu Hu . . . 16156 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 . 'not applicable' 'not applicable' . 16156 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID coiled-coil . 16156 Synphillin . 16156 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16156 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 174 16156 '15N chemical shifts' 46 16156 '1H chemical shifts' 271 16156 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-27 2009-02-02 update BMRB 'edit entity/assembly name' 16156 1 . . 2009-03-09 2009-02-02 original author 'original release' 16156 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KES 'BMRB Entry Tracking System' 16156 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16156 _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 Structure of the Coiled-coil Domain of Synphilin-1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Yuanyuan Xie . . . 16156 1 2 Chenjie Zhou . . . 16156 1 3 Ziren Zhou . . . 16156 1 4 Jing Hong . . . 16156 1 5 Donghai Lin . . . 16156 1 6 Hongyu Hu . . . 16156 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16156 _Assembly.ID 1 _Assembly.Name Synphilin-1 _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 Synphilin-1 1 $entity A . yes native no no . . . 16156 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16156 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Synphilin-1 _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 ; GSVETCMSLASQVVKLTKQL KEQTVERVTLQNQLQQFLEA QKSEGKSL ; _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 48 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5371.191 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2KES . "Solution Structure Of The Coiled-Coil Domain Of Synphilin-1" . . . . . 100.00 48 100.00 100.00 2.32e-22 . . . . 16156 1 2 no DBJ BAA91791 . "unnamed protein product [Homo sapiens]" . . . . . 95.83 597 100.00 100.00 4.86e-19 . . . . 16156 1 3 no DBJ BAD19017 . "synphilin-1a protein [Homo sapiens]" . . . . . 91.67 919 100.00 100.00 9.76e-18 . . . . 16156 1 4 no DBJ BAD19018 . "synphilin-1b protein [Homo sapiens]" . . . . . 91.67 859 100.00 100.00 9.01e-18 . . . . 16156 1 5 no DBJ BAG51060 . "unnamed protein product [Homo sapiens]" . . . . . 91.67 435 100.00 100.00 1.05e-18 . . . . 16156 1 6 no DBJ BAH12894 . "unnamed protein product [Homo sapiens]" . . . . . 91.67 381 100.00 100.00 2.62e-18 . . . . 16156 1 7 no GB AAD30362 . "synphilin 1 [Homo sapiens]" . . . . . 91.67 919 100.00 100.00 9.76e-18 . . . . 16156 1 8 no GB AAG17478 . "synuclein alpha interacting protein [Homo sapiens]" . . . . . 91.67 919 100.00 100.00 1.00e-17 . . . . 16156 1 9 no GB AAH33743 . "SNCAIP protein [Homo sapiens]" . . . . . 91.67 553 100.00 100.00 4.98e-18 . . . . 16156 1 10 no GB AAH40552 . "SNCAIP protein [Homo sapiens]" . . . . . 91.67 1016 100.00 100.00 1.14e-17 . . . . 16156 1 11 no GB AAH94759 . "SNCAIP protein [Homo sapiens]" . . . . . 91.67 603 100.00 100.00 5.94e-18 . . . . 16156 1 12 no REF NP_001229864 . "synphilin-1 isoform 1A [Homo sapiens]" . . . . . 91.67 603 100.00 100.00 5.83e-18 . . . . 16156 1 13 no REF NP_001295029 . "synphilin-1 isoform 2 [Homo sapiens]" . . . . . 91.67 1016 100.00 100.00 1.02e-17 . . . . 16156 1 14 no REF NP_001295034 . "synphilin-1 isoform B [Homo sapiens]" . . . . . 91.67 859 100.00 100.00 8.83e-18 . . . . 16156 1 15 no REF NP_001295035 . "synphilin-1 isoform D [Homo sapiens]" . . . . . 91.67 551 100.00 100.00 4.76e-18 . . . . 16156 1 16 no REF NP_001295036 . "synphilin-1 isoform E [Homo sapiens]" . . . . . 91.67 553 100.00 100.00 5.19e-18 . . . . 16156 1 17 no SP Q9Y6H5 . "RecName: Full=Synphilin-1; Short=Sph1; AltName: Full=Alpha-synuclein-interacting protein" . . . . . 91.67 919 100.00 100.00 1.00e-17 . . . . 16156 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 1 510 GLY . 16156 1 2 511 SER . 16156 1 3 512 VAL . 16156 1 4 513 GLU . 16156 1 5 514 THR . 16156 1 6 515 CYS . 16156 1 7 516 MET . 16156 1 8 517 SER . 16156 1 9 518 LEU . 16156 1 10 519 ALA . 16156 1 11 520 SER . 16156 1 12 521 GLN . 16156 1 13 522 VAL . 16156 1 14 523 VAL . 16156 1 15 524 LYS . 16156 1 16 525 LEU . 16156 1 17 526 THR . 16156 1 18 527 LYS . 16156 1 19 528 GLN . 16156 1 20 529 LEU . 16156 1 21 530 LYS . 16156 1 22 531 GLU . 16156 1 23 532 GLN . 16156 1 24 533 THR . 16156 1 25 534 VAL . 16156 1 26 535 GLU . 16156 1 27 536 ARG . 16156 1 28 537 VAL . 16156 1 29 538 THR . 16156 1 30 539 LEU . 16156 1 31 540 GLN . 16156 1 32 541 ASN . 16156 1 33 542 GLN . 16156 1 34 543 LEU . 16156 1 35 544 GLN . 16156 1 36 545 GLN . 16156 1 37 546 PHE . 16156 1 38 547 LEU . 16156 1 39 548 GLU . 16156 1 40 549 ALA . 16156 1 41 550 GLN . 16156 1 42 551 LYS . 16156 1 43 552 SER . 16156 1 44 553 GLU . 16156 1 45 554 GLY . 16156 1 46 555 LYS . 16156 1 47 556 SER . 16156 1 48 557 LEU . 16156 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 . GLY 1 1 16156 1 . SER 2 2 16156 1 . VAL 3 3 16156 1 . GLU 4 4 16156 1 . THR 5 5 16156 1 . CYS 6 6 16156 1 . MET 7 7 16156 1 . SER 8 8 16156 1 . LEU 9 9 16156 1 . ALA 10 10 16156 1 . SER 11 11 16156 1 . GLN 12 12 16156 1 . VAL 13 13 16156 1 . VAL 14 14 16156 1 . LYS 15 15 16156 1 . LEU 16 16 16156 1 . THR 17 17 16156 1 . LYS 18 18 16156 1 . GLN 19 19 16156 1 . LEU 20 20 16156 1 . LYS 21 21 16156 1 . GLU 22 22 16156 1 . GLN 23 23 16156 1 . THR 24 24 16156 1 . VAL 25 25 16156 1 . GLU 26 26 16156 1 . ARG 27 27 16156 1 . VAL 28 28 16156 1 . THR 29 29 16156 1 . LEU 30 30 16156 1 . GLN 31 31 16156 1 . ASN 32 32 16156 1 . GLN 33 33 16156 1 . LEU 34 34 16156 1 . GLN 35 35 16156 1 . GLN 36 36 16156 1 . PHE 37 37 16156 1 . LEU 38 38 16156 1 . GLU 39 39 16156 1 . ALA 40 40 16156 1 . GLN 41 41 16156 1 . LYS 42 42 16156 1 . SER 43 43 16156 1 . GLU 44 44 16156 1 . GLY 45 45 16156 1 . LYS 46 46 16156 1 . SER 47 47 16156 1 . LEU 48 48 16156 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 16156 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16156 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 16156 _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' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-32M . . . . . . 16156 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16156 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity [U-15N] . . 1 $entity . . 0.2 . . mM . . . . 16156 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16156 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16156 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16156 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16156 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16156 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 16156 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16156 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16156 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16156 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16156 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16156 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 16156 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16156 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16156 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16156 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16156 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 16156 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 16156 1 pressure 1.0 . atm 16156 1 temperature 298 . K 16156 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16156 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16156 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16156 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16156 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16156 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16156 2 'peak picking' 16156 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16156 _Software.ID 3 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16156 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16156 3 'structure solution' 16156 3 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16156 _Software.ID 4 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16156 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16156 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16156 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16156 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16156 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 16156 _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 . . . . . . . . . . . . . . . . 16156 1 2 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16156 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16156 1 4 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16156 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16156 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16156 1 7 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16156 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16156 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16156 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 16156 _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 0.0 na indirect 0.25144 . . . . . . . . . 16156 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.00000 . . . . . . . . . 16156 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.10132 . . . . . . . . . 16156 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 16156 _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' . . . 16156 1 2 '3D HNHA' . . . 16156 1 4 '3D HNCACB' . . . 16156 1 5 '3D CBCA(CO)NH' . . . 16156 1 6 '3D HBHA(CO)NH' . . . 16156 1 7 '3D HNCO' . . . 16156 1 8 '3D HCCH-TOCSY' . . . 16156 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 3 3 VAL H H 1 8.411 0.005 . . . . . . 512 VAL HN . 16156 1 2 . 1 1 3 3 VAL HA H 1 4.140 0.002 . . . . . . 512 VAL HA . 16156 1 3 . 1 1 3 3 VAL HB H 1 2.130 0.006 . . . . . . 512 VAL HB . 16156 1 4 . 1 1 3 3 VAL HG11 H 1 0.953 0.005 . . . . . . 512 VAL HG11 . 16156 1 5 . 1 1 3 3 VAL HG12 H 1 0.953 0.005 . . . . . . 512 VAL HG11 . 16156 1 6 . 1 1 3 3 VAL HG13 H 1 0.953 0.005 . . . . . . 512 VAL HG11 . 16156 1 7 . 1 1 3 3 VAL C C 13 176.681 0.018 . . . . . . 512 VAL C . 16156 1 8 . 1 1 3 3 VAL CA C 13 63.248 0.108 . . . . . . 512 VAL CA . 16156 1 9 . 1 1 3 3 VAL CB C 13 32.219 0.026 . . . . . . 512 VAL CB . 16156 1 10 . 1 1 3 3 VAL CG1 C 13 20.988 0.021 . . . . . . 512 VAL CG1 . 16156 1 11 . 1 1 3 3 VAL N N 15 121.730 0.056 . . . . . . 512 VAL N . 16156 1 12 . 1 1 4 4 GLU H H 1 8.552 0.005 . . . . . . 513 GLU HN . 16156 1 13 . 1 1 4 4 GLU HA H 1 4.304 0.005 . . . . . . 513 GLU HA . 16156 1 14 . 1 1 4 4 GLU HB2 H 1 2.036 0.007 . . . . . . 513 GLU HB2 . 16156 1 15 . 1 1 4 4 GLU HG2 H 1 2.328 0.003 . . . . . . 513 GLU HG2 . 16156 1 16 . 1 1 4 4 GLU C C 13 177.624 0.004 . . . . . . 513 GLU C . 16156 1 17 . 1 1 4 4 GLU CA C 13 57.945 0.121 . . . . . . 513 GLU CA . 16156 1 18 . 1 1 4 4 GLU CB C 13 29.784 0.025 . . . . . . 513 GLU CB . 16156 1 19 . 1 1 4 4 GLU N N 15 123.626 0.073 . . . . . . 513 GLU N . 16156 1 20 . 1 1 5 5 THR H H 1 8.341 0.007 . . . . . . 514 THR HN . 16156 1 21 . 1 1 5 5 THR HA H 1 4.364 0.005 . . . . . . 514 THR HA . 16156 1 22 . 1 1 5 5 THR HB H 1 4.410 0.005 . . . . . . 514 THR HB . 16156 1 23 . 1 1 5 5 THR HG21 H 1 1.277 0.003 . . . . . . 514 THR HG21 . 16156 1 24 . 1 1 5 5 THR HG22 H 1 1.277 0.003 . . . . . . 514 THR HG21 . 16156 1 25 . 1 1 5 5 THR HG23 H 1 1.277 0.003 . . . . . . 514 THR HG21 . 16156 1 26 . 1 1 5 5 THR C C 13 175.493 0.013 . . . . . . 514 THR C . 16156 1 27 . 1 1 5 5 THR CA C 13 62.824 0.067 . . . . . . 514 THR CA . 16156 1 28 . 1 1 5 5 THR CB C 13 70.032 0.157 . . . . . . 514 THR CB . 16156 1 29 . 1 1 5 5 THR N N 15 114.159 0.040 . . . . . . 514 THR N . 16156 1 30 . 1 1 6 6 CYS H H 1 8.739 0.012 . . . . . . 515 CYS HN . 16156 1 31 . 1 1 6 6 CYS HA H 1 4.692 0.049 . . . . . . 515 CYS HA . 16156 1 32 . 1 1 6 6 CYS HB2 H 1 3.315 0.006 . . . . . . 515 CYS HB2 . 16156 1 33 . 1 1 6 6 CYS HB3 H 1 3.150 0.007 . . . . . . 515 CYS HB3 . 16156 1 34 . 1 1 6 6 CYS C C 13 178.959 0.000 . . . . . . 515 CYS C . 16156 1 35 . 1 1 6 6 CYS CA C 13 57.420 0.069 . . . . . . 515 CYS CA . 16156 1 36 . 1 1 6 6 CYS CB C 13 42.167 0.082 . . . . . . 515 CYS CB . 16156 1 37 . 1 1 6 6 CYS N N 15 119.497 0.053 . . . . . . 515 CYS N . 16156 1 38 . 1 1 7 7 MET H H 1 8.380 0.007 . . . . . . 516 MET HN . 16156 1 39 . 1 1 7 7 MET HA H 1 4.250 0.007 . . . . . . 516 MET HA . 16156 1 40 . 1 1 7 7 MET HB2 H 1 2.715 0.003 . . . . . . 516 MET HB2 . 16156 1 41 . 1 1 7 7 MET HB3 H 1 2.640 0.005 . . . . . . 516 MET HB3 . 16156 1 42 . 1 1 7 7 MET HG2 H 1 2.165 0.000 . . . . . . 516 MET HG2 . 16156 1 43 . 1 1 7 7 MET HG3 H 1 2.111 0.005 . . . . . . 516 MET HG3 . 16156 1 44 . 1 1 7 7 MET C C 13 176.520 0.018 . . . . . . 516 MET C . 16156 1 45 . 1 1 7 7 MET CA C 13 58.813 0.151 . . . . . . 516 MET CA . 16156 1 46 . 1 1 7 7 MET CB C 13 32.214 0.030 . . . . . . 516 MET CB . 16156 1 47 . 1 1 7 7 MET N N 15 120.287 0.067 . . . . . . 516 MET N . 16156 1 48 . 1 1 8 8 SER H H 1 8.409 0.005 . . . . . . 517 SER HN . 16156 1 49 . 1 1 8 8 SER HA H 1 4.339 0.004 . . . . . . 517 SER HA . 16156 1 50 . 1 1 8 8 SER HB2 H 1 4.029 0.006 . . . . . . 517 SER HB2 . 16156 1 51 . 1 1 8 8 SER C C 13 177.818 0.000 . . . . . . 517 SER C . 16156 1 52 . 1 1 8 8 SER CA C 13 61.119 0.083 . . . . . . 517 SER CA . 16156 1 53 . 1 1 8 8 SER CB C 13 62.384 0.024 . . . . . . 517 SER CB . 16156 1 54 . 1 1 8 8 SER N N 15 116.219 0.057 . . . . . . 517 SER N . 16156 1 55 . 1 1 9 9 LEU H H 1 8.017 0.005 . . . . . . 518 LEU HN . 16156 1 56 . 1 1 9 9 LEU HA H 1 4.144 0.008 . . . . . . 518 LEU HA . 16156 1 57 . 1 1 9 9 LEU HB2 H 1 2.046 0.007 . . . . . . 518 LEU HB2 . 16156 1 58 . 1 1 9 9 LEU HB3 H 1 1.318 0.011 . . . . . . 518 LEU HB3 . 16156 1 59 . 1 1 9 9 LEU HD11 H 1 0.987 0.005 . . . . . . 518 LEU HD11 . 16156 1 60 . 1 1 9 9 LEU HD12 H 1 0.987 0.005 . . . . . . 518 LEU HD11 . 16156 1 61 . 1 1 9 9 LEU HD13 H 1 0.987 0.005 . . . . . . 518 LEU HD11 . 16156 1 62 . 1 1 9 9 LEU HD21 H 1 0.889 0.000 . . . . . . 518 LEU HD21 . 16156 1 63 . 1 1 9 9 LEU HD22 H 1 0.889 0.000 . . . . . . 518 LEU HD21 . 16156 1 64 . 1 1 9 9 LEU HD23 H 1 0.889 0.000 . . . . . . 518 LEU HD21 . 16156 1 65 . 1 1 9 9 LEU HG H 1 1.840 0.000 . . . . . . 518 LEU HG . 16156 1 66 . 1 1 9 9 LEU C C 13 178.577 0.081 . . . . . . 518 LEU C . 16156 1 67 . 1 1 9 9 LEU CA C 13 57.927 0.070 . . . . . . 518 LEU CA . 16156 1 68 . 1 1 9 9 LEU CB C 13 42.987 0.162 . . . . . . 518 LEU CB . 16156 1 69 . 1 1 9 9 LEU CD1 C 13 26.292 0.061 . . . . . . 518 LEU CD1 . 16156 1 70 . 1 1 9 9 LEU N N 15 122.883 0.036 . . . . . . 518 LEU N . 16156 1 71 . 1 1 10 10 ALA H H 1 8.085 0.010 . . . . . . 519 ALA HN . 16156 1 72 . 1 1 10 10 ALA HA H 1 4.044 0.008 . . . . . . 519 ALA HA . 16156 1 73 . 1 1 10 10 ALA HB1 H 1 1.545 0.006 . . . . . . 519 ALA HB1 . 16156 1 74 . 1 1 10 10 ALA HB2 H 1 1.545 0.006 . . . . . . 519 ALA HB1 . 16156 1 75 . 1 1 10 10 ALA HB3 H 1 1.545 0.006 . . . . . . 519 ALA HB1 . 16156 1 76 . 1 1 10 10 ALA C C 13 180.731 0.038 . . . . . . 519 ALA C . 16156 1 77 . 1 1 10 10 ALA CA C 13 55.810 0.111 . . . . . . 519 ALA CA . 16156 1 78 . 1 1 10 10 ALA CB C 13 17.616 0.075 . . . . . . 519 ALA CB . 16156 1 79 . 1 1 10 10 ALA N N 15 121.112 0.060 . . . . . . 519 ALA N . 16156 1 80 . 1 1 11 11 SER H H 1 7.998 0.005 . . . . . . 520 SER HN . 16156 1 81 . 1 1 11 11 SER HA H 1 4.283 0.010 . . . . . . 520 SER HA . 16156 1 82 . 1 1 11 11 SER HB2 H 1 4.048 0.005 . . . . . . 520 SER HB2 . 16156 1 83 . 1 1 11 11 SER C C 13 177.283 0.028 . . . . . . 520 SER C . 16156 1 84 . 1 1 11 11 SER CA C 13 61.279 0.113 . . . . . . 520 SER CA . 16156 1 85 . 1 1 11 11 SER CB C 13 62.764 0.150 . . . . . . 520 SER CB . 16156 1 86 . 1 1 11 11 SER N N 15 113.163 0.091 . . . . . . 520 SER N . 16156 1 87 . 1 1 12 12 GLN H H 1 8.082 0.007 . . . . . . 521 GLN HN . 16156 1 88 . 1 1 12 12 GLN HA H 1 4.163 0.011 . . . . . . 521 GLN HA . 16156 1 89 . 1 1 12 12 GLN HB2 H 1 2.349 0.015 . . . . . . 521 GLN HB2 . 16156 1 90 . 1 1 12 12 GLN HB3 H 1 2.193 0.012 . . . . . . 521 GLN HB3 . 16156 1 91 . 1 1 12 12 GLN HG2 H 1 2.585 0.011 . . . . . . 521 GLN HG2 . 16156 1 92 . 1 1 12 12 GLN HG3 H 1 2.377 0.001 . . . . . . 521 GLN HG3 . 16156 1 93 . 1 1 12 12 GLN C C 13 178.439 0.017 . . . . . . 521 GLN C . 16156 1 94 . 1 1 12 12 GLN CA C 13 59.321 0.136 . . . . . . 521 GLN CA . 16156 1 95 . 1 1 12 12 GLN CB C 13 28.932 0.092 . . . . . . 521 GLN CB . 16156 1 96 . 1 1 12 12 GLN CG C 13 34.169 0.153 . . . . . . 521 GLN CG . 16156 1 97 . 1 1 12 12 GLN N N 15 123.452 0.122 . . . . . . 521 GLN N . 16156 1 98 . 1 1 13 13 VAL H H 1 8.289 0.007 . . . . . . 522 VAL HN . 16156 1 99 . 1 1 13 13 VAL HA H 1 3.489 0.003 . . . . . . 522 VAL HA . 16156 1 100 . 1 1 13 13 VAL HB H 1 2.252 0.010 . . . . . . 522 VAL HB . 16156 1 101 . 1 1 13 13 VAL HG11 H 1 1.075 0.009 . . . . . . 522 VAL HG11 . 16156 1 102 . 1 1 13 13 VAL HG12 H 1 1.075 0.009 . . . . . . 522 VAL HG11 . 16156 1 103 . 1 1 13 13 VAL HG13 H 1 1.075 0.009 . . . . . . 522 VAL HG11 . 16156 1 104 . 1 1 13 13 VAL HG21 H 1 0.903 0.010 . . . . . . 522 VAL HG21 . 16156 1 105 . 1 1 13 13 VAL HG22 H 1 0.903 0.010 . . . . . . 522 VAL HG21 . 16156 1 106 . 1 1 13 13 VAL HG23 H 1 0.903 0.010 . . . . . . 522 VAL HG21 . 16156 1 107 . 1 1 13 13 VAL C C 13 179.392 0.000 . . . . . . 522 VAL C . 16156 1 108 . 1 1 13 13 VAL CA C 13 67.895 0.109 . . . . . . 522 VAL CA . 16156 1 109 . 1 1 13 13 VAL CB C 13 31.597 0.135 . . . . . . 522 VAL CB . 16156 1 110 . 1 1 13 13 VAL CG1 C 13 25.194 0.057 . . . . . . 522 VAL CG1 . 16156 1 111 . 1 1 13 13 VAL CG2 C 13 21.060 0.086 . . . . . . 522 VAL CG2 . 16156 1 112 . 1 1 13 13 VAL N N 15 119.508 0.101 . . . . . . 522 VAL N . 16156 1 113 . 1 1 14 14 VAL H H 1 7.651 0.006 . . . . . . 523 VAL HN . 16156 1 114 . 1 1 14 14 VAL HA H 1 3.674 0.007 . . . . . . 523 VAL HA . 16156 1 115 . 1 1 14 14 VAL HB H 1 2.242 0.010 . . . . . . 523 VAL HB . 16156 1 116 . 1 1 14 14 VAL HG11 H 1 1.128 0.010 . . . . . . 523 VAL HG11 . 16156 1 117 . 1 1 14 14 VAL HG12 H 1 1.128 0.010 . . . . . . 523 VAL HG11 . 16156 1 118 . 1 1 14 14 VAL HG13 H 1 1.128 0.010 . . . . . . 523 VAL HG11 . 16156 1 119 . 1 1 14 14 VAL HG21 H 1 0.992 0.008 . . . . . . 523 VAL HG21 . 16156 1 120 . 1 1 14 14 VAL HG22 H 1 0.992 0.008 . . . . . . 523 VAL HG21 . 16156 1 121 . 1 1 14 14 VAL HG23 H 1 0.992 0.008 . . . . . . 523 VAL HG21 . 16156 1 122 . 1 1 14 14 VAL C C 13 178.592 0.013 . . . . . . 523 VAL C . 16156 1 123 . 1 1 14 14 VAL CA C 13 67.190 0.141 . . . . . . 523 VAL CA . 16156 1 124 . 1 1 14 14 VAL CB C 13 31.892 0.096 . . . . . . 523 VAL CB . 16156 1 125 . 1 1 14 14 VAL CG1 C 13 22.625 0.049 . . . . . . 523 VAL CG1 . 16156 1 126 . 1 1 14 14 VAL N N 15 122.425 0.063 . . . . . . 523 VAL N . 16156 1 127 . 1 1 15 15 LYS H H 1 7.919 0.006 . . . . . . 524 LYS HN . 16156 1 128 . 1 1 15 15 LYS HA H 1 4.066 0.009 . . . . . . 524 LYS HA . 16156 1 129 . 1 1 15 15 LYS HB2 H 1 1.956 0.011 . . . . . . 524 LYS HB2 . 16156 1 130 . 1 1 15 15 LYS HD2 H 1 1.700 0.004 . . . . . . 524 LYS HD2 . 16156 1 131 . 1 1 15 15 LYS HD3 H 1 1.593 0.011 . . . . . . 524 LYS HD3 . 16156 1 132 . 1 1 15 15 LYS HE2 H 1 2.966 0.002 . . . . . . 524 LYS HE2 . 16156 1 133 . 1 1 15 15 LYS HG2 H 1 1.415 0.004 . . . . . . 524 LYS HG2 . 16156 1 134 . 1 1 15 15 LYS C C 13 179.521 0.034 . . . . . . 524 LYS C . 16156 1 135 . 1 1 15 15 LYS CA C 13 60.001 0.170 . . . . . . 524 LYS CA . 16156 1 136 . 1 1 15 15 LYS CB C 13 32.693 0.023 . . . . . . 524 LYS CB . 16156 1 137 . 1 1 15 15 LYS CD C 13 29.258 0.001 . . . . . . 524 LYS CD . 16156 1 138 . 1 1 15 15 LYS CG C 13 25.037 0.067 . . . . . . 524 LYS CG . 16156 1 139 . 1 1 15 15 LYS N N 15 120.960 0.115 . . . . . . 524 LYS N . 16156 1 140 . 1 1 16 16 LEU H H 1 8.939 0.010 . . . . . . 525 LEU HN . 16156 1 141 . 1 1 16 16 LEU HA H 1 4.164 0.005 . . . . . . 525 LEU HA . 16156 1 142 . 1 1 16 16 LEU HB2 H 1 1.983 0.002 . . . . . . 525 LEU HB2 . 16156 1 143 . 1 1 16 16 LEU HB3 H 1 1.316 0.000 . . . . . . 525 LEU HB3 . 16156 1 144 . 1 1 16 16 LEU HD11 H 1 0.899 0.006 . . . . . . 525 LEU HD11 . 16156 1 145 . 1 1 16 16 LEU HD12 H 1 0.899 0.006 . . . . . . 525 LEU HD11 . 16156 1 146 . 1 1 16 16 LEU HD13 H 1 0.899 0.006 . . . . . . 525 LEU HD11 . 16156 1 147 . 1 1 16 16 LEU HG H 1 0.977 0.001 . . . . . . 525 LEU HG . 16156 1 148 . 1 1 16 16 LEU C C 13 179.118 0.032 . . . . . . 525 LEU C . 16156 1 149 . 1 1 16 16 LEU CA C 13 58.071 0.080 . . . . . . 525 LEU CA . 16156 1 150 . 1 1 16 16 LEU CB C 13 43.853 0.053 . . . . . . 525 LEU CB . 16156 1 151 . 1 1 16 16 LEU CD1 C 13 23.247 0.063 . . . . . . 525 LEU CD1 . 16156 1 152 . 1 1 16 16 LEU CG C 13 27.694 0.005 . . . . . . 525 LEU CG . 16156 1 153 . 1 1 16 16 LEU N N 15 119.646 0.067 . . . . . . 525 LEU N . 16156 1 154 . 1 1 17 17 THR H H 1 8.311 0.009 . . . . . . 526 THR HN . 16156 1 155 . 1 1 17 17 THR HA H 1 3.822 0.007 . . . . . . 526 THR HA . 16156 1 156 . 1 1 17 17 THR HB H 1 4.388 0.008 . . . . . . 526 THR HB . 16156 1 157 . 1 1 17 17 THR HG21 H 1 1.272 0.004 . . . . . . 526 THR HG21 . 16156 1 158 . 1 1 17 17 THR HG22 H 1 1.272 0.004 . . . . . . 526 THR HG21 . 16156 1 159 . 1 1 17 17 THR HG23 H 1 1.272 0.004 . . . . . . 526 THR HG21 . 16156 1 160 . 1 1 17 17 THR C C 13 176.638 0.000 . . . . . . 526 THR C . 16156 1 161 . 1 1 17 17 THR CA C 13 67.923 0.136 . . . . . . 526 THR CA . 16156 1 162 . 1 1 17 17 THR CB C 13 68.655 0.041 . . . . . . 526 THR CB . 16156 1 163 . 1 1 17 17 THR CG2 C 13 20.975 0.169 . . . . . . 526 THR CG2 . 16156 1 164 . 1 1 17 17 THR N N 15 115.841 0.075 . . . . . . 526 THR N . 16156 1 165 . 1 1 18 18 LYS H H 1 7.717 0.006 . . . . . . 527 LYS HN . 16156 1 166 . 1 1 18 18 LYS HA H 1 4.112 0.011 . . . . . . 527 LYS HA . 16156 1 167 . 1 1 18 18 LYS HB2 H 1 2.068 0.004 . . . . . . 527 LYS HB2 . 16156 1 168 . 1 1 18 18 LYS HB3 H 1 1.963 0.008 . . . . . . 527 LYS HB3 . 16156 1 169 . 1 1 18 18 LYS HD2 H 1 1.711 0.006 . . . . . . 527 LYS HD2 . 16156 1 170 . 1 1 18 18 LYS HD3 H 1 1.593 0.013 . . . . . . 527 LYS HD3 . 16156 1 171 . 1 1 18 18 LYS HE2 H 1 2.966 0.007 . . . . . . 527 LYS HE2 . 16156 1 172 . 1 1 18 18 LYS HG2 H 1 1.426 0.012 . . . . . . 527 LYS HG2 . 16156 1 173 . 1 1 18 18 LYS CA C 13 59.922 0.121 . . . . . . 527 LYS CA . 16156 1 174 . 1 1 18 18 LYS CB C 13 32.354 0.094 . . . . . . 527 LYS CB . 16156 1 175 . 1 1 18 18 LYS CE C 13 41.846 0.022 . . . . . . 527 LYS CE . 16156 1 176 . 1 1 18 18 LYS N N 15 123.034 0.080 . . . . . . 527 LYS N . 16156 1 177 . 1 1 19 19 GLN H H 1 8.319 0.015 . . . . . . 528 GLN HN . 16156 1 178 . 1 1 19 19 GLN HA H 1 4.149 0.000 . . . . . . 528 GLN HA . 16156 1 179 . 1 1 19 19 GLN HB2 H 1 2.307 0.000 . . . . . . 528 GLN HB2 . 16156 1 180 . 1 1 19 19 GLN HB3 H 1 2.145 0.000 . . . . . . 528 GLN HB3 . 16156 1 181 . 1 1 19 19 GLN C C 13 179.236 0.020 . . . . . . 528 GLN C . 16156 1 182 . 1 1 19 19 GLN CA C 13 59.397 0.039 . . . . . . 528 GLN CA . 16156 1 183 . 1 1 19 19 GLN CB C 13 29.175 0.039 . . . . . . 528 GLN CB . 16156 1 184 . 1 1 19 19 GLN N N 15 119.343 0.030 . . . . . . 528 GLN N . 16156 1 185 . 1 1 20 20 LEU H H 1 8.869 0.004 . . . . . . 529 LEU HN . 16156 1 186 . 1 1 20 20 LEU HA H 1 4.102 0.009 . . . . . . 529 LEU HA . 16156 1 187 . 1 1 20 20 LEU HB2 H 1 2.000 0.011 . . . . . . 529 LEU HB2 . 16156 1 188 . 1 1 20 20 LEU HB3 H 1 1.626 0.009 . . . . . . 529 LEU HB3 . 16156 1 189 . 1 1 20 20 LEU HD11 H 1 0.916 0.006 . . . . . . 529 LEU HD11 . 16156 1 190 . 1 1 20 20 LEU HD12 H 1 0.916 0.006 . . . . . . 529 LEU HD11 . 16156 1 191 . 1 1 20 20 LEU HD13 H 1 0.916 0.006 . . . . . . 529 LEU HD11 . 16156 1 192 . 1 1 20 20 LEU C C 13 179.709 0.040 . . . . . . 529 LEU C . 16156 1 193 . 1 1 20 20 LEU CA C 13 58.277 0.084 . . . . . . 529 LEU CA . 16156 1 194 . 1 1 20 20 LEU CB C 13 41.808 0.096 . . . . . . 529 LEU CB . 16156 1 195 . 1 1 20 20 LEU N N 15 121.333 0.026 . . . . . . 529 LEU N . 16156 1 196 . 1 1 21 21 LYS H H 1 8.126 0.007 . . . . . . 530 LYS HN . 16156 1 197 . 1 1 21 21 LYS HA H 1 4.097 0.004 . . . . . . 530 LYS HA . 16156 1 198 . 1 1 21 21 LYS HB2 H 1 2.046 0.004 . . . . . . 530 LYS HB2 . 16156 1 199 . 1 1 21 21 LYS C C 13 178.925 0.000 . . . . . . 530 LYS C . 16156 1 200 . 1 1 21 21 LYS CA C 13 60.168 0.061 . . . . . . 530 LYS CA . 16156 1 201 . 1 1 21 21 LYS CB C 13 31.957 0.061 . . . . . . 530 LYS CB . 16156 1 202 . 1 1 21 21 LYS N N 15 122.900 0.064 . . . . . . 530 LYS N . 16156 1 203 . 1 1 22 22 GLU H H 1 8.138 0.012 . . . . . . 531 GLU HN . 16156 1 204 . 1 1 22 22 GLU HA H 1 4.064 0.008 . . . . . . 531 GLU HA . 16156 1 205 . 1 1 22 22 GLU HB2 H 1 2.104 0.001 . . . . . . 531 GLU HB2 . 16156 1 206 . 1 1 22 22 GLU HG2 H 1 2.550 0.006 . . . . . . 531 GLU HG2 . 16156 1 207 . 1 1 22 22 GLU HG3 H 1 2.288 0.005 . . . . . . 531 GLU HG3 . 16156 1 208 . 1 1 22 22 GLU C C 13 179.710 0.041 . . . . . . 531 GLU C . 16156 1 209 . 1 1 22 22 GLU CA C 13 59.532 0.136 . . . . . . 531 GLU CA . 16156 1 210 . 1 1 22 22 GLU CB C 13 29.446 0.108 . . . . . . 531 GLU CB . 16156 1 211 . 1 1 22 22 GLU CG C 13 36.529 0.016 . . . . . . 531 GLU CG . 16156 1 212 . 1 1 22 22 GLU N N 15 118.589 0.064 . . . . . . 531 GLU N . 16156 1 213 . 1 1 23 23 GLN H H 1 8.457 0.006 . . . . . . 532 GLN HN . 16156 1 214 . 1 1 23 23 GLN HA H 1 4.139 0.007 . . . . . . 532 GLN HA . 16156 1 215 . 1 1 23 23 GLN HB2 H 1 2.113 0.013 . . . . . . 532 GLN HB2 . 16156 1 216 . 1 1 23 23 GLN C C 13 178.498 0.012 . . . . . . 532 GLN C . 16156 1 217 . 1 1 23 23 GLN CA C 13 58.563 0.046 . . . . . . 532 GLN CA . 16156 1 218 . 1 1 23 23 GLN CB C 13 28.911 0.000 . . . . . . 532 GLN CB . 16156 1 219 . 1 1 23 23 GLN N N 15 118.059 0.120 . . . . . . 532 GLN N . 16156 1 220 . 1 1 24 24 THR H H 1 8.325 0.014 . . . . . . 533 THR HN . 16156 1 221 . 1 1 24 24 THR HA H 1 4.106 0.008 . . . . . . 533 THR HA . 16156 1 222 . 1 1 24 24 THR HB H 1 4.430 0.006 . . . . . . 533 THR HB . 16156 1 223 . 1 1 24 24 THR HG21 H 1 1.265 0.007 . . . . . . 533 THR HG21 . 16156 1 224 . 1 1 24 24 THR HG22 H 1 1.265 0.007 . . . . . . 533 THR HG21 . 16156 1 225 . 1 1 24 24 THR HG23 H 1 1.265 0.007 . . . . . . 533 THR HG21 . 16156 1 226 . 1 1 24 24 THR C C 13 175.780 0.000 . . . . . . 533 THR C . 16156 1 227 . 1 1 24 24 THR CA C 13 67.023 0.035 . . . . . . 533 THR CA . 16156 1 228 . 1 1 24 24 THR CG2 C 13 21.036 0.129 . . . . . . 533 THR CG2 . 16156 1 229 . 1 1 24 24 THR N N 15 117.397 0.081 . . . . . . 533 THR N . 16156 1 230 . 1 1 25 25 VAL H H 1 7.935 0.025 . . . . . . 534 VAL HN . 16156 1 231 . 1 1 25 25 VAL HA H 1 3.696 0.004 . . . . . . 534 VAL HA . 16156 1 232 . 1 1 25 25 VAL HB H 1 2.213 0.008 . . . . . . 534 VAL HB . 16156 1 233 . 1 1 25 25 VAL HG11 H 1 1.116 0.010 . . . . . . 534 VAL HG11 . 16156 1 234 . 1 1 25 25 VAL HG12 H 1 1.116 0.010 . . . . . . 534 VAL HG11 . 16156 1 235 . 1 1 25 25 VAL HG13 H 1 1.116 0.010 . . . . . . 534 VAL HG11 . 16156 1 236 . 1 1 25 25 VAL HG21 H 1 0.974 0.005 . . . . . . 534 VAL HG21 . 16156 1 237 . 1 1 25 25 VAL HG22 H 1 0.974 0.005 . . . . . . 534 VAL HG21 . 16156 1 238 . 1 1 25 25 VAL HG23 H 1 0.974 0.005 . . . . . . 534 VAL HG21 . 16156 1 239 . 1 1 25 25 VAL C C 13 179.333 0.000 . . . . . . 534 VAL C . 16156 1 240 . 1 1 25 25 VAL CA C 13 66.691 0.147 . . . . . . 534 VAL CA . 16156 1 241 . 1 1 25 25 VAL CG1 C 13 22.749 0.040 . . . . . . 534 VAL CG1 . 16156 1 242 . 1 1 25 25 VAL CG2 C 13 21.117 0.012 . . . . . . 534 VAL CG2 . 16156 1 243 . 1 1 25 25 VAL N N 15 121.196 0.080 . . . . . . 534 VAL N . 16156 1 244 . 1 1 26 26 GLU H H 1 7.814 0.005 . . . . . . 535 GLU HN . 16156 1 245 . 1 1 26 26 GLU HA H 1 4.113 0.007 . . . . . . 535 GLU HA . 16156 1 246 . 1 1 26 26 GLU HB2 H 1 2.084 0.008 . . . . . . 535 GLU HB2 . 16156 1 247 . 1 1 26 26 GLU HB3 H 1 2.011 0.002 . . . . . . 535 GLU HB3 . 16156 1 248 . 1 1 26 26 GLU HG2 H 1 2.306 0.009 . . . . . . 535 GLU HG2 . 16156 1 249 . 1 1 26 26 GLU C C 13 178.221 0.000 . . . . . . 535 GLU C . 16156 1 250 . 1 1 26 26 GLU CA C 13 59.597 0.105 . . . . . . 535 GLU CA . 16156 1 251 . 1 1 26 26 GLU CB C 13 29.298 0.040 . . . . . . 535 GLU CB . 16156 1 252 . 1 1 26 26 GLU CG C 13 36.250 0.130 . . . . . . 535 GLU CG . 16156 1 253 . 1 1 26 26 GLU N N 15 120.430 0.050 . . . . . . 535 GLU N . 16156 1 254 . 1 1 27 27 ARG H H 1 8.367 0.012 . . . . . . 536 ARG HN . 16156 1 255 . 1 1 27 27 ARG HA H 1 3.906 0.105 . . . . . . 536 ARG HA . 16156 1 256 . 1 1 27 27 ARG HB2 H 1 1.772 0.006 . . . . . . 536 ARG HB2 . 16156 1 257 . 1 1 27 27 ARG HB3 H 1 1.604 0.009 . . . . . . 536 ARG HB3 . 16156 1 258 . 1 1 27 27 ARG HD2 H 1 3.203 0.005 . . . . . . 536 ARG HD2 . 16156 1 259 . 1 1 27 27 ARG HG2 H 1 1.006 0.009 . . . . . . 536 ARG HG2 . 16156 1 260 . 1 1 27 27 ARG C C 13 178.119 0.082 . . . . . . 536 ARG C . 16156 1 261 . 1 1 27 27 ARG CA C 13 60.845 0.080 . . . . . . 536 ARG CA . 16156 1 262 . 1 1 27 27 ARG CB C 13 27.361 0.063 . . . . . . 536 ARG CB . 16156 1 263 . 1 1 27 27 ARG CD C 13 43.008 0.051 . . . . . . 536 ARG CD . 16156 1 264 . 1 1 27 27 ARG CG C 13 26.916 0.021 . . . . . . 536 ARG CG . 16156 1 265 . 1 1 27 27 ARG N N 15 120.564 0.106 . . . . . . 536 ARG N . 16156 1 266 . 1 1 28 28 VAL H H 1 8.452 0.005 . . . . . . 537 VAL HN . 16156 1 267 . 1 1 28 28 VAL HA H 1 3.691 0.009 . . . . . . 537 VAL HA . 16156 1 268 . 1 1 28 28 VAL HB H 1 2.208 0.008 . . . . . . 537 VAL HB . 16156 1 269 . 1 1 28 28 VAL HG11 H 1 1.102 0.007 . . . . . . 537 VAL HG11 . 16156 1 270 . 1 1 28 28 VAL HG12 H 1 1.102 0.007 . . . . . . 537 VAL HG11 . 16156 1 271 . 1 1 28 28 VAL HG13 H 1 1.102 0.007 . . . . . . 537 VAL HG11 . 16156 1 272 . 1 1 28 28 VAL HG21 H 1 0.974 0.005 . . . . . . 537 VAL HG21 . 16156 1 273 . 1 1 28 28 VAL HG22 H 1 0.974 0.005 . . . . . . 537 VAL HG21 . 16156 1 274 . 1 1 28 28 VAL HG23 H 1 0.974 0.005 . . . . . . 537 VAL HG21 . 16156 1 275 . 1 1 28 28 VAL C C 13 178.392 0.000 . . . . . . 537 VAL C . 16156 1 276 . 1 1 28 28 VAL CA C 13 66.670 0.129 . . . . . . 537 VAL CA . 16156 1 277 . 1 1 28 28 VAL CB C 13 31.795 0.040 . . . . . . 537 VAL CB . 16156 1 278 . 1 1 28 28 VAL CG1 C 13 22.823 0.000 . . . . . . 537 VAL CG1 . 16156 1 279 . 1 1 28 28 VAL CG2 C 13 21.300 0.000 . . . . . . 537 VAL CG2 . 16156 1 280 . 1 1 28 28 VAL N N 15 120.076 0.074 . . . . . . 537 VAL N . 16156 1 281 . 1 1 29 29 THR H H 1 8.165 0.009 . . . . . . 538 THR HN . 16156 1 282 . 1 1 29 29 THR HA H 1 3.985 0.005 . . . . . . 538 THR HA . 16156 1 283 . 1 1 29 29 THR HB H 1 4.415 0.009 . . . . . . 538 THR HB . 16156 1 284 . 1 1 29 29 THR HG21 H 1 1.273 0.005 . . . . . . 538 THR HG21 . 16156 1 285 . 1 1 29 29 THR HG22 H 1 1.273 0.005 . . . . . . 538 THR HG21 . 16156 1 286 . 1 1 29 29 THR HG23 H 1 1.273 0.005 . . . . . . 538 THR HG21 . 16156 1 287 . 1 1 29 29 THR C C 13 177.201 0.000 . . . . . . 538 THR C . 16156 1 288 . 1 1 29 29 THR CA C 13 66.936 0.096 . . . . . . 538 THR CA . 16156 1 289 . 1 1 29 29 THR CB C 13 68.772 0.067 . . . . . . 538 THR CB . 16156 1 290 . 1 1 29 29 THR CG2 C 13 21.427 0.057 . . . . . . 538 THR CG2 . 16156 1 291 . 1 1 29 29 THR N N 15 117.307 0.092 . . . . . . 538 THR N . 16156 1 292 . 1 1 30 30 LEU H H 1 8.145 0.006 . . . . . . 539 LEU HN . 16156 1 293 . 1 1 30 30 LEU HA H 1 4.181 0.007 . . . . . . 539 LEU HA . 16156 1 294 . 1 1 30 30 LEU HB2 H 1 2.132 0.018 . . . . . . 539 LEU HB2 . 16156 1 295 . 1 1 30 30 LEU HB3 H 1 1.402 0.009 . . . . . . 539 LEU HB3 . 16156 1 296 . 1 1 30 30 LEU HD11 H 1 0.979 0.009 . . . . . . 539 LEU HD11 . 16156 1 297 . 1 1 30 30 LEU HD12 H 1 0.979 0.009 . . . . . . 539 LEU HD11 . 16156 1 298 . 1 1 30 30 LEU HD13 H 1 0.979 0.009 . . . . . . 539 LEU HD11 . 16156 1 299 . 1 1 30 30 LEU HD21 H 1 0.934 0.001 . . . . . . 539 LEU HD21 . 16156 1 300 . 1 1 30 30 LEU HD22 H 1 0.934 0.001 . . . . . . 539 LEU HD21 . 16156 1 301 . 1 1 30 30 LEU HD23 H 1 0.934 0.001 . . . . . . 539 LEU HD21 . 16156 1 302 . 1 1 30 30 LEU HG H 1 1.911 0.011 . . . . . . 539 LEU HG . 16156 1 303 . 1 1 30 30 LEU C C 13 178.786 0.037 . . . . . . 539 LEU C . 16156 1 304 . 1 1 30 30 LEU CA C 13 58.312 0.074 . . . . . . 539 LEU CA . 16156 1 305 . 1 1 30 30 LEU CB C 13 42.965 0.117 . . . . . . 539 LEU CB . 16156 1 306 . 1 1 30 30 LEU CD2 C 13 23.822 0.038 . . . . . . 539 LEU CD2 . 16156 1 307 . 1 1 30 30 LEU CG C 13 27.471 0.031 . . . . . . 539 LEU CG . 16156 1 308 . 1 1 30 30 LEU N N 15 122.885 0.051 . . . . . . 539 LEU N . 16156 1 309 . 1 1 31 31 GLN H H 1 8.739 0.008 . . . . . . 540 GLN HN . 16156 1 310 . 1 1 31 31 GLN HA H 1 3.976 0.011 . . . . . . 540 GLN HA . 16156 1 311 . 1 1 31 31 GLN HB2 H 1 2.351 0.012 . . . . . . 540 GLN HB2 . 16156 1 312 . 1 1 31 31 GLN HB3 H 1 2.215 0.008 . . . . . . 540 GLN HB3 . 16156 1 313 . 1 1 31 31 GLN HG2 H 1 2.504 0.008 . . . . . . 540 GLN HG2 . 16156 1 314 . 1 1 31 31 GLN HG3 H 1 2.439 0.005 . . . . . . 540 GLN HG3 . 16156 1 315 . 1 1 31 31 GLN C C 13 179.052 0.019 . . . . . . 540 GLN C . 16156 1 316 . 1 1 31 31 GLN CA C 13 59.485 0.180 . . . . . . 540 GLN CA . 16156 1 317 . 1 1 31 31 GLN CB C 13 28.488 0.068 . . . . . . 540 GLN CB . 16156 1 318 . 1 1 31 31 GLN CG C 13 34.413 0.087 . . . . . . 540 GLN CG . 16156 1 319 . 1 1 31 31 GLN N N 15 119.660 0.061 . . . . . . 540 GLN N . 16156 1 320 . 1 1 32 32 ASN H H 1 8.467 0.005 . . . . . . 541 ASN HN . 16156 1 321 . 1 1 32 32 ASN HA H 1 4.532 0.005 . . . . . . 541 ASN HA . 16156 1 322 . 1 1 32 32 ASN HB2 H 1 3.040 0.006 . . . . . . 541 ASN HB2 . 16156 1 323 . 1 1 32 32 ASN HB3 H 1 2.857 0.007 . . . . . . 541 ASN HB3 . 16156 1 324 . 1 1 32 32 ASN C C 13 178.095 0.000 . . . . . . 541 ASN C . 16156 1 325 . 1 1 32 32 ASN CA C 13 56.010 0.136 . . . . . . 541 ASN CA . 16156 1 326 . 1 1 32 32 ASN CB C 13 37.881 0.054 . . . . . . 541 ASN CB . 16156 1 327 . 1 1 32 32 ASN N N 15 118.499 0.069 . . . . . . 541 ASN N . 16156 1 328 . 1 1 33 33 GLN H H 1 8.158 0.008 . . . . . . 542 GLN HN . 16156 1 329 . 1 1 33 33 GLN HA H 1 4.029 0.005 . . . . . . 542 GLN HA . 16156 1 330 . 1 1 33 33 GLN HB2 H 1 2.335 0.001 . . . . . . 542 GLN HB2 . 16156 1 331 . 1 1 33 33 GLN HB3 H 1 2.140 0.008 . . . . . . 542 GLN HB3 . 16156 1 332 . 1 1 33 33 GLN HG2 H 1 2.309 0.007 . . . . . . 542 GLN HG2 . 16156 1 333 . 1 1 33 33 GLN C C 13 178.763 0.025 . . . . . . 542 GLN C . 16156 1 334 . 1 1 33 33 GLN CA C 13 58.964 0.069 . . . . . . 542 GLN CA . 16156 1 335 . 1 1 33 33 GLN CB C 13 28.949 0.040 . . . . . . 542 GLN CB . 16156 1 336 . 1 1 33 33 GLN CG C 13 33.855 0.141 . . . . . . 542 GLN CG . 16156 1 337 . 1 1 33 33 GLN N N 15 121.150 0.054 . . . . . . 542 GLN N . 16156 1 338 . 1 1 34 34 LEU H H 1 8.606 0.010 . . . . . . 543 LEU HN . 16156 1 339 . 1 1 34 34 LEU HA H 1 4.140 0.008 . . . . . . 543 LEU HA . 16156 1 340 . 1 1 34 34 LEU HB2 H 1 1.932 0.007 . . . . . . 543 LEU HB2 . 16156 1 341 . 1 1 34 34 LEU HB3 H 1 1.716 0.009 . . . . . . 543 LEU HB3 . 16156 1 342 . 1 1 34 34 LEU HD11 H 1 1.012 0.004 . . . . . . 543 LEU HD11 . 16156 1 343 . 1 1 34 34 LEU HD12 H 1 1.012 0.004 . . . . . . 543 LEU HD11 . 16156 1 344 . 1 1 34 34 LEU HD13 H 1 1.012 0.004 . . . . . . 543 LEU HD11 . 16156 1 345 . 1 1 34 34 LEU HD21 H 1 0.902 0.006 . . . . . . 543 LEU HD21 . 16156 1 346 . 1 1 34 34 LEU HD22 H 1 0.902 0.006 . . . . . . 543 LEU HD21 . 16156 1 347 . 1 1 34 34 LEU HD23 H 1 0.902 0.006 . . . . . . 543 LEU HD21 . 16156 1 348 . 1 1 34 34 LEU HG H 1 1.007 0.008 . . . . . . 543 LEU HG . 16156 1 349 . 1 1 34 34 LEU C C 13 178.395 0.026 . . . . . . 543 LEU C . 16156 1 350 . 1 1 34 34 LEU CA C 13 58.323 0.041 . . . . . . 543 LEU CA . 16156 1 351 . 1 1 34 34 LEU CB C 13 41.979 0.043 . . . . . . 543 LEU CB . 16156 1 352 . 1 1 34 34 LEU CD1 C 13 24.669 0.025 . . . . . . 543 LEU CD1 . 16156 1 353 . 1 1 34 34 LEU CD2 C 13 22.622 0.081 . . . . . . 543 LEU CD2 . 16156 1 354 . 1 1 34 34 LEU CG C 13 25.904 0.085 . . . . . . 543 LEU CG . 16156 1 355 . 1 1 34 34 LEU N N 15 120.557 0.046 . . . . . . 543 LEU N . 16156 1 356 . 1 1 35 35 GLN H H 1 8.170 0.004 . . . . . . 544 GLN HN . 16156 1 357 . 1 1 35 35 GLN HA H 1 3.969 0.008 . . . . . . 544 GLN HA . 16156 1 358 . 1 1 35 35 GLN HB2 H 1 2.290 0.004 . . . . . . 544 GLN HB2 . 16156 1 359 . 1 1 35 35 GLN HB3 H 1 2.190 0.008 . . . . . . 544 GLN HB3 . 16156 1 360 . 1 1 35 35 GLN HG2 H 1 2.497 0.007 . . . . . . 544 GLN HG2 . 16156 1 361 . 1 1 35 35 GLN C C 13 178.194 0.012 . . . . . . 544 GLN C . 16156 1 362 . 1 1 35 35 GLN CA C 13 59.060 0.171 . . . . . . 544 GLN CA . 16156 1 363 . 1 1 35 35 GLN CB C 13 28.046 0.102 . . . . . . 544 GLN CB . 16156 1 364 . 1 1 35 35 GLN CG C 13 33.320 0.170 . . . . . . 544 GLN CG . 16156 1 365 . 1 1 35 35 GLN N N 15 117.978 0.062 . . . . . . 544 GLN N . 16156 1 366 . 1 1 36 36 GLN H H 1 7.786 0.010 . . . . . . 545 GLN HN . 16156 1 367 . 1 1 36 36 GLN HA H 1 4.024 0.007 . . . . . . 545 GLN HA . 16156 1 368 . 1 1 36 36 GLN HB2 H 1 2.043 0.007 . . . . . . 545 GLN HB2 . 16156 1 369 . 1 1 36 36 GLN HB3 H 1 1.949 0.005 . . . . . . 545 GLN HB3 . 16156 1 370 . 1 1 36 36 GLN HG2 H 1 2.298 0.005 . . . . . . 545 GLN HG2 . 16156 1 371 . 1 1 36 36 GLN C C 13 178.864 0.013 . . . . . . 545 GLN C . 16156 1 372 . 1 1 36 36 GLN CA C 13 58.857 0.064 . . . . . . 545 GLN CA . 16156 1 373 . 1 1 36 36 GLN CB C 13 28.112 0.075 . . . . . . 545 GLN CB . 16156 1 374 . 1 1 36 36 GLN CG C 13 33.966 0.047 . . . . . . 545 GLN CG . 16156 1 375 . 1 1 36 36 GLN N N 15 116.904 0.040 . . . . . . 545 GLN N . 16156 1 376 . 1 1 37 37 PHE H H 1 7.734 0.012 . . . . . . 546 PHE HN . 16156 1 377 . 1 1 37 37 PHE HA H 1 4.233 0.007 . . . . . . 546 PHE HA . 16156 1 378 . 1 1 37 37 PHE HB2 H 1 2.615 0.007 . . . . . . 546 PHE HB2 . 16156 1 379 . 1 1 37 37 PHE HB3 H 1 2.321 0.006 . . . . . . 546 PHE HB3 . 16156 1 380 . 1 1 37 37 PHE HD2 H 1 7.101 0.007 . . . . . . 546 PHE HD2 . 16156 1 381 . 1 1 37 37 PHE HE2 H 1 7.227 0.006 . . . . . . 546 PHE HE2 . 16156 1 382 . 1 1 37 37 PHE C C 13 178.078 0.000 . . . . . . 546 PHE C . 16156 1 383 . 1 1 37 37 PHE CA C 13 60.681 0.143 . . . . . . 546 PHE CA . 16156 1 384 . 1 1 37 37 PHE CB C 13 38.124 0.040 . . . . . . 546 PHE CB . 16156 1 385 . 1 1 37 37 PHE N N 15 119.594 0.060 . . . . . . 546 PHE N . 16156 1 386 . 1 1 38 38 LEU H H 1 8.240 0.009 . . . . . . 547 LEU HN . 16156 1 387 . 1 1 38 38 LEU HA H 1 4.037 0.014 . . . . . . 547 LEU HA . 16156 1 388 . 1 1 38 38 LEU HB2 H 1 1.896 0.009 . . . . . . 547 LEU HB2 . 16156 1 389 . 1 1 38 38 LEU HB3 H 1 1.518 0.013 . . . . . . 547 LEU HB3 . 16156 1 390 . 1 1 38 38 LEU HD11 H 1 0.911 0.005 . . . . . . 547 LEU HD11 . 16156 1 391 . 1 1 38 38 LEU HD12 H 1 0.911 0.005 . . . . . . 547 LEU HD11 . 16156 1 392 . 1 1 38 38 LEU HD13 H 1 0.911 0.005 . . . . . . 547 LEU HD11 . 16156 1 393 . 1 1 38 38 LEU HG H 1 1.778 0.016 . . . . . . 547 LEU HG . 16156 1 394 . 1 1 38 38 LEU C C 13 180.193 0.032 . . . . . . 547 LEU C . 16156 1 395 . 1 1 38 38 LEU CA C 13 57.303 0.092 . . . . . . 547 LEU CA . 16156 1 396 . 1 1 38 38 LEU CB C 13 41.519 0.067 . . . . . . 547 LEU CB . 16156 1 397 . 1 1 38 38 LEU CD1 C 13 22.853 0.110 . . . . . . 547 LEU CD1 . 16156 1 398 . 1 1 38 38 LEU N N 15 119.925 0.058 . . . . . . 547 LEU N . 16156 1 399 . 1 1 39 39 GLU H H 1 8.273 0.005 . . . . . . 548 GLU HN . 16156 1 400 . 1 1 39 39 GLU HA H 1 4.083 0.008 . . . . . . 548 GLU HA . 16156 1 401 . 1 1 39 39 GLU HB2 H 1 2.063 0.004 . . . . . . 548 GLU HB2 . 16156 1 402 . 1 1 39 39 GLU HG2 H 1 2.364 0.007 . . . . . . 548 GLU HG2 . 16156 1 403 . 1 1 39 39 GLU C C 13 178.417 0.029 . . . . . . 548 GLU C . 16156 1 404 . 1 1 39 39 GLU CA C 13 58.494 0.039 . . . . . . 548 GLU CA . 16156 1 405 . 1 1 39 39 GLU CB C 13 29.238 0.124 . . . . . . 548 GLU CB . 16156 1 406 . 1 1 39 39 GLU CG C 13 36.370 0.032 . . . . . . 548 GLU CG . 16156 1 407 . 1 1 39 39 GLU N N 15 119.463 0.111 . . . . . . 548 GLU N . 16156 1 408 . 1 1 40 40 ALA H H 1 7.714 0.007 . . . . . . 549 ALA HN . 16156 1 409 . 1 1 40 40 ALA HA H 1 4.244 0.003 . . . . . . 549 ALA HA . 16156 1 410 . 1 1 40 40 ALA HB1 H 1 1.498 0.004 . . . . . . 549 ALA HB1 . 16156 1 411 . 1 1 40 40 ALA HB2 H 1 1.498 0.004 . . . . . . 549 ALA HB1 . 16156 1 412 . 1 1 40 40 ALA HB3 H 1 1.498 0.004 . . . . . . 549 ALA HB1 . 16156 1 413 . 1 1 40 40 ALA C C 13 179.123 0.025 . . . . . . 549 ALA C . 16156 1 414 . 1 1 40 40 ALA CA C 13 53.829 0.074 . . . . . . 549 ALA CA . 16156 1 415 . 1 1 40 40 ALA CB C 13 18.330 0.047 . . . . . . 549 ALA CB . 16156 1 416 . 1 1 40 40 ALA N N 15 122.046 0.046 . . . . . . 549 ALA N . 16156 1 417 . 1 1 41 41 GLN H H 1 7.825 0.007 . . . . . . 550 GLN HN . 16156 1 418 . 1 1 41 41 GLN HA H 1 4.207 0.008 . . . . . . 550 GLN HA . 16156 1 419 . 1 1 41 41 GLN HB2 H 1 2.211 0.006 . . . . . . 550 GLN HB2 . 16156 1 420 . 1 1 41 41 GLN HB3 H 1 2.099 0.008 . . . . . . 550 GLN HB3 . 16156 1 421 . 1 1 41 41 GLN HG2 H 1 2.413 0.010 . . . . . . 550 GLN HG2 . 16156 1 422 . 1 1 41 41 GLN HG3 H 1 2.357 0.013 . . . . . . 550 GLN HG3 . 16156 1 423 . 1 1 41 41 GLN C C 13 177.115 0.029 . . . . . . 550 GLN C . 16156 1 424 . 1 1 41 41 GLN CA C 13 56.917 0.107 . . . . . . 550 GLN CA . 16156 1 425 . 1 1 41 41 GLN CB C 13 28.948 0.073 . . . . . . 550 GLN CB . 16156 1 426 . 1 1 41 41 GLN CG C 13 34.150 0.065 . . . . . . 550 GLN CG . 16156 1 427 . 1 1 41 41 GLN N N 15 117.391 0.030 . . . . . . 550 GLN N . 16156 1 428 . 1 1 42 42 LYS H H 1 7.905 0.007 . . . . . . 551 LYS HN . 16156 1 429 . 1 1 42 42 LYS HA H 1 4.293 0.005 . . . . . . 551 LYS HA . 16156 1 430 . 1 1 42 42 LYS HB2 H 1 1.895 0.006 . . . . . . 551 LYS HB2 . 16156 1 431 . 1 1 42 42 LYS HD2 H 1 1.700 0.006 . . . . . . 551 LYS HD2 . 16156 1 432 . 1 1 42 42 LYS HE2 H 1 2.983 0.008 . . . . . . 551 LYS HE2 . 16156 1 433 . 1 1 42 42 LYS HG2 H 1 1.580 0.007 . . . . . . 551 LYS HG2 . 16156 1 434 . 1 1 42 42 LYS HG3 H 1 1.474 0.015 . . . . . . 551 LYS HG3 . 16156 1 435 . 1 1 42 42 LYS C C 13 177.498 0.030 . . . . . . 551 LYS C . 16156 1 436 . 1 1 42 42 LYS CA C 13 57.298 0.097 . . . . . . 551 LYS CA . 16156 1 437 . 1 1 42 42 LYS CB C 13 32.903 0.203 . . . . . . 551 LYS CB . 16156 1 438 . 1 1 42 42 LYS CD C 13 29.340 0.089 . . . . . . 551 LYS CD . 16156 1 439 . 1 1 42 42 LYS CE C 13 42.250 0.000 . . . . . . 551 LYS CE . 16156 1 440 . 1 1 42 42 LYS CG C 13 25.009 0.059 . . . . . . 551 LYS CG . 16156 1 441 . 1 1 42 42 LYS N N 15 120.398 0.059 . . . . . . 551 LYS N . 16156 1 442 . 1 1 43 43 SER H H 1 8.144 0.005 . . . . . . 552 SER HN . 16156 1 443 . 1 1 43 43 SER HA H 1 4.438 0.005 . . . . . . 552 SER HA . 16156 1 444 . 1 1 43 43 SER HB2 H 1 3.926 0.006 . . . . . . 552 SER HB2 . 16156 1 445 . 1 1 43 43 SER C C 13 174.871 0.053 . . . . . . 552 SER C . 16156 1 446 . 1 1 43 43 SER CA C 13 58.932 0.101 . . . . . . 552 SER CA . 16156 1 447 . 1 1 43 43 SER CB C 13 63.785 0.112 . . . . . . 552 SER CB . 16156 1 448 . 1 1 43 43 SER N N 15 115.839 0.042 . . . . . . 552 SER N . 16156 1 449 . 1 1 44 44 GLU H H 1 8.267 0.008 . . . . . . 553 GLU HN . 16156 1 450 . 1 1 44 44 GLU HA H 1 4.300 0.009 . . . . . . 553 GLU HA . 16156 1 451 . 1 1 44 44 GLU HB2 H 1 2.115 0.008 . . . . . . 553 GLU HB2 . 16156 1 452 . 1 1 44 44 GLU HB3 H 1 2.018 0.004 . . . . . . 553 GLU HB3 . 16156 1 453 . 1 1 44 44 GLU HG2 H 1 2.321 0.009 . . . . . . 553 GLU HG2 . 16156 1 454 . 1 1 44 44 GLU C C 13 177.103 0.009 . . . . . . 553 GLU C . 16156 1 455 . 1 1 44 44 GLU CA C 13 56.940 0.104 . . . . . . 553 GLU CA . 16156 1 456 . 1 1 44 44 GLU CB C 13 29.992 0.104 . . . . . . 553 GLU CB . 16156 1 457 . 1 1 44 44 GLU CG C 13 36.326 0.049 . . . . . . 553 GLU CG . 16156 1 458 . 1 1 44 44 GLU N N 15 122.271 0.062 . . . . . . 553 GLU N . 16156 1 459 . 1 1 45 45 GLY H H 1 8.384 0.006 . . . . . . 554 GLY HN . 16156 1 460 . 1 1 45 45 GLY HA2 H 1 3.963 0.002 . . . . . . 554 GLY HA . 16156 1 461 . 1 1 45 45 GLY HA3 H 1 3.963 0.002 . . . . . . 554 GLY HA . 16156 1 462 . 1 1 45 45 GLY C C 13 174.201 0.048 . . . . . . 554 GLY C . 16156 1 463 . 1 1 45 45 GLY CA C 13 45.474 0.083 . . . . . . 554 GLY CA . 16156 1 464 . 1 1 45 45 GLY N N 15 109.533 0.059 . . . . . . 554 GLY N . 16156 1 465 . 1 1 46 46 LYS H H 1 8.064 0.006 . . . . . . 555 LYS HN . 16156 1 466 . 1 1 46 46 LYS HA H 1 4.417 0.005 . . . . . . 555 LYS HA . 16156 1 467 . 1 1 46 46 LYS HB2 H 1 1.876 0.006 . . . . . . 555 LYS HB2 . 16156 1 468 . 1 1 46 46 LYS HB3 H 1 1.773 0.008 . . . . . . 555 LYS HB3 . 16156 1 469 . 1 1 46 46 LYS HD2 H 1 1.703 0.004 . . . . . . 555 LYS HD2 . 16156 1 470 . 1 1 46 46 LYS HE2 H 1 2.994 0.014 . . . . . . 555 LYS HE2 . 16156 1 471 . 1 1 46 46 LYS HG2 H 1 1.438 0.038 . . . . . . 555 LYS HG2 . 16156 1 472 . 1 1 46 46 LYS C C 13 176.485 0.026 . . . . . . 555 LYS C . 16156 1 473 . 1 1 46 46 LYS CA C 13 56.017 0.073 . . . . . . 555 LYS CA . 16156 1 474 . 1 1 46 46 LYS CB C 13 33.281 0.039 . . . . . . 555 LYS CB . 16156 1 475 . 1 1 46 46 LYS CD C 13 28.891 0.190 . . . . . . 555 LYS CD . 16156 1 476 . 1 1 46 46 LYS CG C 13 24.721 0.041 . . . . . . 555 LYS CG . 16156 1 477 . 1 1 46 46 LYS N N 15 120.660 0.042 . . . . . . 555 LYS N . 16156 1 478 . 1 1 47 47 SER H H 1 8.391 0.006 . . . . . . 556 SER HN . 16156 1 479 . 1 1 47 47 SER HA H 1 4.562 0.068 . . . . . . 556 SER HA . 16156 1 480 . 1 1 47 47 SER HB2 H 1 3.977 0.005 . . . . . . 556 SER HB2 . 16156 1 481 . 1 1 47 47 SER HB3 H 1 3.879 0.009 . . . . . . 556 SER HB3 . 16156 1 482 . 1 1 47 47 SER C C 13 173.556 0.025 . . . . . . 556 SER C . 16156 1 483 . 1 1 47 47 SER CA C 13 58.444 0.091 . . . . . . 556 SER CA . 16156 1 484 . 1 1 47 47 SER CB C 13 64.149 0.057 . . . . . . 556 SER CB . 16156 1 485 . 1 1 47 47 SER N N 15 117.900 0.040 . . . . . . 556 SER N . 16156 1 486 . 1 1 48 48 LEU H H 1 7.977 0.003 . . . . . . 557 LEU HN . 16156 1 487 . 1 1 48 48 LEU HA H 1 4.187 0.013 . . . . . . 557 LEU HA . 16156 1 488 . 1 1 48 48 LEU C C 13 182.530 0.000 . . . . . . 557 LEU C . 16156 1 489 . 1 1 48 48 LEU CA C 13 56.924 0.027 . . . . . . 557 LEU CA . 16156 1 490 . 1 1 48 48 LEU CB C 13 43.335 0.000 . . . . . . 557 LEU CB . 16156 1 491 . 1 1 48 48 LEU N N 15 129.921 0.024 . . . . . . 557 LEU N . 16156 1 stop_ save_