data_18256 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18256 _Entry.Title ; R state structure of monomeric phospholamban (C36A, C41F, C46A) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-11 _Entry.Accession_date 2012-02-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Alfonso 'De Simone' . . . 18256 2 Rinaldo Montalvao . W. . 18256 3 Martin Gustavsson . . . 18256 4 Lei Shi . . . 18256 5 Gianluigi Veglia . . . 18256 6 Michele Vendruscolo . . . 18256 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' . 18256 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'dilated cardiomyopathy' . 18256 'ensemble average' . 18256 'excited state' . 18256 'membrane protein' . 18256 'molecular dynamics' . 18256 phospholamban . 18256 'residual dipolar coupling' . 18256 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18256 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 152 18256 '15N chemical shifts' 50 18256 '1H chemical shifts' 101 18256 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 . . 2014-02-24 2012-02-11 update BMRB 'update entry citation' 18256 1 . . 2013-02-11 2012-02-11 original author 'original release' 18256 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1N7L 'Solution NMR structure of AFA-PLN in detergent micelle' 18256 PDB 2KB7 'Hybrid solution and solid-state NMR structure of the T state of AFA-PLN monomer structure in lipid bilayer' 18256 PDB 2KYV 'Hybrid solution and solid-state NMR structure of the T state of PLN pentamer structure in lipid bilayer' 18256 PDB 2LPF 'BMRB Entry Tracking System' 18256 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18256 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23968132 _Citation.Full_citation . _Citation.Title 'Structures of the excited states of phospholamban and shifts in their populations upon phosphorylation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 52 _Citation.Journal_issue 38 _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 6684 _Citation.Page_last 6694 _Citation.Year 2013 _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 Alfonso 'De Simone' . . . 18256 1 2 Martin Gustavsson . . . 18256 1 3 Rinaldo Montalvao . W. . 18256 1 4 Lei Shi . . . 18256 1 5 Gianluigi Veglia . . . 18256 1 6 Michele Vendruscolo . . . 18256 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18256 _Assembly.ID 1 _Assembly.Name 'monomeric phospholamban (C36A, C41F, C46A)' _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 'monomeric phospholamban (C36A, C41F, C46A)' 1 $Phospholamban A . yes native no no . . . 18256 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Phospholamban _Entity.Sf_category entity _Entity.Sf_framecode Phospholamban _Entity.Entry_ID 18256 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Phospholamban _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 ; AMEKVQYLTRSAIRRASTIE MPQQARQNLQNLFINFALIL IFLLLIAIIVMLL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6150.531 _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 BMRB 25222 . Phospholamban . . . . . 100.00 52 98.11 98.11 5.57e-13 . . . . 18256 1 2 no PDB 1N7L . "Solution Nmr Structure Of Phospholamban In Detergent Micelles" . . . . . 100.00 53 100.00 100.00 1.24e-15 . . . . 18256 1 3 no PDB 2KB7 . "Hybrid Solution And Solid-State Nmr Structure Of Monomeric Phospholamban In Lipid Bilayers" . . . . . 100.00 53 100.00 100.00 1.24e-15 . . . . 18256 1 4 no PDB 2LPF . "R State Structure Of Monomeric Phospholamban (c36a, C41f, C46a)" . . . . . 100.00 53 100.00 100.00 1.24e-15 . . . . 18256 1 5 no PDB 4Y3U . "The Structure Of Phospholamban Bound To The Calcium Pump Serca1a" . . . . . 66.04 50 97.14 100.00 8.03e-15 . . . . 18256 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 . 18256 1 2 . MET . 18256 1 3 . GLU . 18256 1 4 . LYS . 18256 1 5 . VAL . 18256 1 6 . GLN . 18256 1 7 . TYR . 18256 1 8 . LEU . 18256 1 9 . THR . 18256 1 10 . ARG . 18256 1 11 . SER . 18256 1 12 . ALA . 18256 1 13 . ILE . 18256 1 14 . ARG . 18256 1 15 . ARG . 18256 1 16 . ALA . 18256 1 17 . SER . 18256 1 18 . THR . 18256 1 19 . ILE . 18256 1 20 . GLU . 18256 1 21 . MET . 18256 1 22 . PRO . 18256 1 23 . GLN . 18256 1 24 . GLN . 18256 1 25 . ALA . 18256 1 26 . ARG . 18256 1 27 . GLN . 18256 1 28 . ASN . 18256 1 29 . LEU . 18256 1 30 . GLN . 18256 1 31 . ASN . 18256 1 32 . LEU . 18256 1 33 . PHE . 18256 1 34 . ILE . 18256 1 35 . ASN . 18256 1 36 . PHE . 18256 1 37 . ALA . 18256 1 38 . LEU . 18256 1 39 . ILE . 18256 1 40 . LEU . 18256 1 41 . ILE . 18256 1 42 . PHE . 18256 1 43 . LEU . 18256 1 44 . LEU . 18256 1 45 . LEU . 18256 1 46 . ILE . 18256 1 47 . ALA . 18256 1 48 . ILE . 18256 1 49 . ILE . 18256 1 50 . VAL . 18256 1 51 . MET . 18256 1 52 . LEU . 18256 1 53 . LEU . 18256 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 18256 1 . MET 2 2 18256 1 . GLU 3 3 18256 1 . LYS 4 4 18256 1 . VAL 5 5 18256 1 . GLN 6 6 18256 1 . TYR 7 7 18256 1 . LEU 8 8 18256 1 . THR 9 9 18256 1 . ARG 10 10 18256 1 . SER 11 11 18256 1 . ALA 12 12 18256 1 . ILE 13 13 18256 1 . ARG 14 14 18256 1 . ARG 15 15 18256 1 . ALA 16 16 18256 1 . SER 17 17 18256 1 . THR 18 18 18256 1 . ILE 19 19 18256 1 . GLU 20 20 18256 1 . MET 21 21 18256 1 . PRO 22 22 18256 1 . GLN 23 23 18256 1 . GLN 24 24 18256 1 . ALA 25 25 18256 1 . ARG 26 26 18256 1 . GLN 27 27 18256 1 . ASN 28 28 18256 1 . LEU 29 29 18256 1 . GLN 30 30 18256 1 . ASN 31 31 18256 1 . LEU 32 32 18256 1 . PHE 33 33 18256 1 . ILE 34 34 18256 1 . ASN 35 35 18256 1 . PHE 36 36 18256 1 . ALA 37 37 18256 1 . LEU 38 38 18256 1 . ILE 39 39 18256 1 . LEU 40 40 18256 1 . ILE 41 41 18256 1 . PHE 42 42 18256 1 . LEU 43 43 18256 1 . LEU 44 44 18256 1 . LEU 45 45 18256 1 . ILE 46 46 18256 1 . ALA 47 47 18256 1 . ILE 48 48 18256 1 . ILE 49 49 18256 1 . VAL 50 50 18256 1 . MET 51 51 18256 1 . LEU 52 52 18256 1 . LEU 53 53 18256 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 18256 _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 $Phospholamban . 9986 organism . 'Oryctolagus cuniculus' Rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . . . . . . . . . 18256 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 18256 _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 $Phospholamban . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pMal . . . . . . 18256 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18256 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Phospholamban '[U-99% 13C; U-99% 15N]' . . 1 $Phospholamban . . 1-1.5 . . mM . . . . 18256 1 2 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 18256 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18256 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18256 1 5 dodecylphosphocholine 'natural abundance' . . . . . . 100 . . mM . . . . 18256 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 18256 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Phospholamban '[U-99% 13C; U-99% 15N]' . . 1 $Phospholamban . . 1-1.5 . . mM . . . . 18256 2 2 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 18256 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18256 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18256 2 5 dodecylphosphocholine 'natural abundance' . . . . . . 100 . . mM . . . . 18256 2 6 acrylamide 'natural abundance' . . . . . . 5.1 . . % . . . . 18256 2 7 bis-acrylamide 'natural abundance' . . . . . . 1.3 . . % . . . . 18256 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18256 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Phospholamban '[U-99% 13C; U-99% 15N]' . . 1 $Phospholamban . . 1-1.5 . . mM . . . . 18256 3 2 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 18256 3 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18256 3 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18256 3 5 dodecylphosphocholine 'natural abundance' . . . . . . 100 . . mM . . . . 18256 3 6 acrylamide 'natural abundance' . . . . . . 3.85 . . % . . . . 18256 3 7 bis-acrylamide 'natural abundance' . . . . . . 1.3 . . % . . . . 18256 3 8 '2-(acrylamido)-2-methyl-1-propanesulfonic acid' 'natural abundance' . . . . . . 1.25 . . % . . . . 18256 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 18256 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.120 . M 18256 1 pH 6.0 . pH 18256 1 pressure 1 . atm 18256 1 temperature 310 . K 18256 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18256 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18256 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18256 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18256 _Software.ID 2 _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' . . 18256 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18256 2 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 18256 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _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 18256 _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 VNMRS . 600 . . . 18256 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 18256 _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 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $Sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 3 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 4 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 5 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $Sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 6 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 7 '2D HN(a/b-NCO-J)-TROSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 8 '2D HN(a/b-NC0-J)-TROSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $Sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 9 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 10 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18256 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18256 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18256 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18256 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18256 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18256 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 18256 _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 3 '3D C(CO)NH' . . . 18256 1 10 '3D H(CCO)NH' . . . 18256 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 2 2 MET HA H 1 4.070 . . 1 . . . A 2 MET HA . 18256 1 2 . 1 1 2 2 MET C C 13 176.670 . . 1 . . . A 2 MET C . 18256 1 3 . 1 1 2 2 MET CA C 13 56.860 . . 1 . . . A 2 MET CA . 18256 1 4 . 1 1 2 2 MET CB C 13 32.740 . . 1 . . . A 2 MET CB . 18256 1 5 . 1 1 3 3 GLU H H 1 9.250 . . 1 . . . A 3 GLU H . 18256 1 6 . 1 1 3 3 GLU HA H 1 4.150 . . 1 . . . A 3 GLU HA . 18256 1 7 . 1 1 3 3 GLU C C 13 178.300 . . 1 . . . A 3 GLU C . 18256 1 8 . 1 1 3 3 GLU CA C 13 59.520 . . 1 . . . A 3 GLU CA . 18256 1 9 . 1 1 3 3 GLU CB C 13 28.700 . . 1 . . . A 3 GLU CB . 18256 1 10 . 1 1 3 3 GLU N N 15 121.650 . . 1 . . . A 3 GLU N . 18256 1 11 . 1 1 4 4 LYS H H 1 8.290 . . 1 . . . A 4 LYS H . 18256 1 12 . 1 1 4 4 LYS HA H 1 4.190 . . 1 . . . A 4 LYS HA . 18256 1 13 . 1 1 4 4 LYS C C 13 178.010 . . 1 . . . A 4 LYS C . 18256 1 14 . 1 1 4 4 LYS CA C 13 58.680 . . 1 . . . A 4 LYS CA . 18256 1 15 . 1 1 4 4 LYS CB C 13 32.720 . . 1 . . . A 4 LYS CB . 18256 1 16 . 1 1 4 4 LYS N N 15 120.150 . . 1 . . . A 4 LYS N . 18256 1 17 . 1 1 5 5 VAL H H 1 7.770 . . 1 . . . A 5 VAL H . 18256 1 18 . 1 1 5 5 VAL HA H 1 3.750 . . 1 . . . A 5 VAL HA . 18256 1 19 . 1 1 5 5 VAL C C 13 178.040 . . 1 . . . A 5 VAL C . 18256 1 20 . 1 1 5 5 VAL CA C 13 65.500 . . 1 . . . A 5 VAL CA . 18256 1 21 . 1 1 5 5 VAL CB C 13 31.880 . . 1 . . . A 5 VAL CB . 18256 1 22 . 1 1 5 5 VAL N N 15 117.680 . . 1 . . . A 5 VAL N . 18256 1 23 . 1 1 6 6 GLN H H 1 8.340 . . 1 . . . A 6 GLN H . 18256 1 24 . 1 1 6 6 GLN HA H 1 4.030 . . 1 . . . A 6 GLN HA . 18256 1 25 . 1 1 6 6 GLN C C 13 176.990 . . 1 . . . A 6 GLN C . 18256 1 26 . 1 1 6 6 GLN CA C 13 59.060 . . 1 . . . A 6 GLN CA . 18256 1 27 . 1 1 6 6 GLN CB C 13 28.770 . . 1 . . . A 6 GLN CB . 18256 1 28 . 1 1 6 6 GLN N N 15 120.890 . . 1 . . . A 6 GLN N . 18256 1 29 . 1 1 7 7 TYR H H 1 8.000 . . 1 . . . A 7 TYR H . 18256 1 30 . 1 1 7 7 TYR HA H 1 4.280 . . 1 . . . A 7 TYR HA . 18256 1 31 . 1 1 7 7 TYR C C 13 177.890 . . 1 . . . A 7 TYR C . 18256 1 32 . 1 1 7 7 TYR CA C 13 61.010 . . 1 . . . A 7 TYR CA . 18256 1 33 . 1 1 7 7 TYR CB C 13 38.420 . . 1 . . . A 7 TYR CB . 18256 1 34 . 1 1 7 7 TYR N N 15 118.960 . . 1 . . . A 7 TYR N . 18256 1 35 . 1 1 8 8 LEU H H 1 8.160 . . 1 . . . A 8 LEU H . 18256 1 36 . 1 1 8 8 LEU HA H 1 4.070 . . 1 . . . A 8 LEU HA . 18256 1 37 . 1 1 8 8 LEU C C 13 177.700 . . 1 . . . A 8 LEU C . 18256 1 38 . 1 1 8 8 LEU CA C 13 57.200 . . 1 . . . A 8 LEU CA . 18256 1 39 . 1 1 8 8 LEU CB C 13 42.140 . . 1 . . . A 8 LEU CB . 18256 1 40 . 1 1 8 8 LEU N N 15 120.330 . . 1 . . . A 8 LEU N . 18256 1 41 . 1 1 9 9 THR H H 1 8.030 . . 1 . . . A 9 THR H . 18256 1 42 . 1 1 9 9 THR HA H 1 3.980 . . 1 . . . A 9 THR HA . 18256 1 43 . 1 1 9 9 THR C C 13 176.070 . . 1 . . . A 9 THR C . 18256 1 44 . 1 1 9 9 THR CA C 13 65.610 . . 1 . . . A 9 THR CA . 18256 1 45 . 1 1 9 9 THR CB C 13 68.960 . . 1 . . . A 9 THR CB . 18256 1 46 . 1 1 9 9 THR N N 15 112.710 . . 1 . . . A 9 THR N . 18256 1 47 . 1 1 10 10 ARG H H 1 8.360 . . 1 . . . A 10 ARG H . 18256 1 48 . 1 1 10 10 ARG HA H 1 3.960 . . 1 . . . A 10 ARG HA . 18256 1 49 . 1 1 10 10 ARG C C 13 178.750 . . 1 . . . A 10 ARG C . 18256 1 50 . 1 1 10 10 ARG CA C 13 59.700 . . 1 . . . A 10 ARG CA . 18256 1 51 . 1 1 10 10 ARG CB C 13 30.070 . . 1 . . . A 10 ARG CB . 18256 1 52 . 1 1 10 10 ARG N N 15 120.580 . . 1 . . . A 10 ARG N . 18256 1 53 . 1 1 11 11 SER H H 1 8.040 . . 1 . . . A 11 SER H . 18256 1 54 . 1 1 11 11 SER HA H 1 4.140 . . 1 . . . A 11 SER HA . 18256 1 55 . 1 1 11 11 SER C C 13 176.120 . . 1 . . . A 11 SER C . 18256 1 56 . 1 1 11 11 SER CA C 13 61.210 . . 1 . . . A 11 SER CA . 18256 1 57 . 1 1 11 11 SER CB C 13 62.950 . . 1 . . . A 11 SER CB . 18256 1 58 . 1 1 11 11 SER N N 15 114.560 . . 1 . . . A 11 SER N . 18256 1 59 . 1 1 12 12 ALA H H 1 8.210 . . 1 . . . A 12 ALA H . 18256 1 60 . 1 1 12 12 ALA HA H 1 4.040 . . 1 . . . A 12 ALA HA . 18256 1 61 . 1 1 12 12 ALA C C 13 178.730 . . 1 . . . A 12 ALA C . 18256 1 62 . 1 1 12 12 ALA CA C 13 55.550 . . 1 . . . A 12 ALA CA . 18256 1 63 . 1 1 12 12 ALA CB C 13 18.680 . . 1 . . . A 12 ALA CB . 18256 1 64 . 1 1 12 12 ALA N N 15 124.480 . . 1 . . . A 12 ALA N . 18256 1 65 . 1 1 13 13 ILE H H 1 8.010 . . 1 . . . A 13 ILE H . 18256 1 66 . 1 1 13 13 ILE HA H 1 3.670 . . 1 . . . A 13 ILE HA . 18256 1 67 . 1 1 13 13 ILE C C 13 177.970 . . 1 . . . A 13 ILE C . 18256 1 68 . 1 1 13 13 ILE CA C 13 64.800 . . 1 . . . A 13 ILE CA . 18256 1 69 . 1 1 13 13 ILE CB C 13 38.020 . . 1 . . . A 13 ILE CB . 18256 1 70 . 1 1 13 13 ILE N N 15 116.710 . . 1 . . . A 13 ILE N . 18256 1 71 . 1 1 14 14 ARG H H 1 8.000 . . 1 . . . A 14 ARG H . 18256 1 72 . 1 1 14 14 ARG HA H 1 4.030 . . 1 . . . A 14 ARG HA . 18256 1 73 . 1 1 14 14 ARG C C 13 179.200 . . 1 . . . A 14 ARG C . 18256 1 74 . 1 1 14 14 ARG CA C 13 59.310 . . 1 . . . A 14 ARG CA . 18256 1 75 . 1 1 14 14 ARG CB C 13 29.850 . . 1 . . . A 14 ARG CB . 18256 1 76 . 1 1 14 14 ARG N N 15 119.900 . . 1 . . . A 14 ARG N . 18256 1 77 . 1 1 15 15 ARG H H 1 8.060 . . 1 . . . A 15 ARG H . 18256 1 78 . 1 1 15 15 ARG HA H 1 4.190 . . 1 . . . A 15 ARG HA . 18256 1 79 . 1 1 15 15 ARG C C 13 178.190 . . 1 . . . A 15 ARG C . 18256 1 80 . 1 1 15 15 ARG CA C 13 57.920 . . 1 . . . A 15 ARG CA . 18256 1 81 . 1 1 15 15 ARG CB C 13 30.110 . . 1 . . . A 15 ARG CB . 18256 1 82 . 1 1 15 15 ARG N N 15 119.070 . . 1 . . . A 15 ARG N . 18256 1 83 . 1 1 16 16 ALA H H 1 8.350 . . 1 . . . A 16 ALA H . 18256 1 84 . 1 1 16 16 ALA HA H 1 4.060 . . 1 . . . A 16 ALA HA . 18256 1 85 . 1 1 16 16 ALA C C 13 177.710 . . 1 . . . A 16 ALA C . 18256 1 86 . 1 1 16 16 ALA CA C 13 54.410 . . 1 . . . A 16 ALA CA . 18256 1 87 . 1 1 16 16 ALA CB C 13 18.670 . . 1 . . . A 16 ALA CB . 18256 1 88 . 1 1 16 16 ALA N N 15 121.460 . . 1 . . . A 16 ALA N . 18256 1 89 . 1 1 17 17 SER H H 1 7.810 . . 1 . . . A 17 SER H . 18256 1 90 . 1 1 17 17 SER HA H 1 4.260 . . 1 . . . A 17 SER HA . 18256 1 91 . 1 1 17 17 SER C C 13 174.550 . . 1 . . . A 17 SER C . 18256 1 92 . 1 1 17 17 SER CA C 13 60.560 . . 1 . . . A 17 SER CA . 18256 1 93 . 1 1 17 17 SER CB C 13 63.830 . . 1 . . . A 17 SER CB . 18256 1 94 . 1 1 17 17 SER N N 15 109.900 . . 1 . . . A 17 SER N . 18256 1 95 . 1 1 18 18 THR H H 1 7.580 . . 1 . . . A 18 THR H . 18256 1 96 . 1 1 18 18 THR HA H 1 4.350 . . 1 . . . A 18 THR HA . 18256 1 97 . 1 1 18 18 THR C C 13 174.620 . . 1 . . . A 18 THR C . 18256 1 98 . 1 1 18 18 THR CA C 13 61.900 . . 1 . . . A 18 THR CA . 18256 1 99 . 1 1 18 18 THR CB C 13 69.630 . . 1 . . . A 18 THR CB . 18256 1 100 . 1 1 18 18 THR N N 15 110.340 . . 1 . . . A 18 THR N . 18256 1 101 . 1 1 19 19 ILE H H 1 7.390 . . 1 . . . A 19 ILE H . 18256 1 102 . 1 1 19 19 ILE HA H 1 4.040 . . 1 . . . A 19 ILE HA . 18256 1 103 . 1 1 19 19 ILE C C 13 174.800 . . 1 . . . A 19 ILE C . 18256 1 104 . 1 1 19 19 ILE CA C 13 61.690 . . 1 . . . A 19 ILE CA . 18256 1 105 . 1 1 19 19 ILE CB C 13 38.910 . . 1 . . . A 19 ILE CB . 18256 1 106 . 1 1 19 19 ILE N N 15 122.220 . . 1 . . . A 19 ILE N . 18256 1 107 . 1 1 20 20 GLU H H 1 8.320 . . 1 . . . A 20 GLU H . 18256 1 108 . 1 1 20 20 GLU HA H 1 4.370 . . 1 . . . A 20 GLU HA . 18256 1 109 . 1 1 20 20 GLU C C 13 175.610 . . 1 . . . A 20 GLU C . 18256 1 110 . 1 1 20 20 GLU CA C 13 55.590 . . 1 . . . A 20 GLU CA . 18256 1 111 . 1 1 20 20 GLU CB C 13 30.590 . . 1 . . . A 20 GLU CB . 18256 1 112 . 1 1 20 20 GLU N N 15 125.230 . . 1 . . . A 20 GLU N . 18256 1 113 . 1 1 21 21 MET H H 1 8.570 . . 1 . . . A 21 MET H . 18256 1 114 . 1 1 21 21 MET HA H 1 4.470 . . 1 . . . A 21 MET HA . 18256 1 115 . 1 1 21 21 MET CA C 13 55.830 . . 1 . . . A 21 MET CA . 18256 1 116 . 1 1 21 21 MET CB C 13 32.370 . . 1 . . . A 21 MET CB . 18256 1 117 . 1 1 21 21 MET N N 15 122.970 . . 1 . . . A 21 MET N . 18256 1 118 . 1 1 22 22 PRO C C 13 177.260 . . 1 . . . A 22 PRO C . 18256 1 119 . 1 1 22 22 PRO CA C 13 63.100 . . 1 . . . A 22 PRO CA . 18256 1 120 . 1 1 22 22 PRO CB C 13 32.660 . . 1 . . . A 22 PRO CB . 18256 1 121 . 1 1 23 23 GLN H H 1 8.820 . . 1 . . . A 23 GLN H . 18256 1 122 . 1 1 23 23 GLN HA H 1 4.650 . . 1 . . . A 23 GLN HA . 18256 1 123 . 1 1 23 23 GLN C C 13 177.510 . . 1 . . . A 23 GLN C . 18256 1 124 . 1 1 23 23 GLN CA C 13 58.530 . . 1 . . . A 23 GLN CA . 18256 1 125 . 1 1 23 23 GLN CB C 13 28.700 . . 1 . . . A 23 GLN CB . 18256 1 126 . 1 1 23 23 GLN N N 15 122.360 . . 1 . . . A 23 GLN N . 18256 1 127 . 1 1 24 24 GLN H H 1 8.810 . . 1 . . . A 24 GLN H . 18256 1 128 . 1 1 24 24 GLN HA H 1 4.160 . . 1 . . . A 24 GLN HA . 18256 1 129 . 1 1 24 24 GLN C C 13 177.000 . . 1 . . . A 24 GLN C . 18256 1 130 . 1 1 24 24 GLN CA C 13 57.750 . . 1 . . . A 24 GLN CA . 18256 1 131 . 1 1 24 24 GLN CB C 13 28.540 . . 1 . . . A 24 GLN CB . 18256 1 132 . 1 1 24 24 GLN N N 15 117.850 . . 1 . . . A 24 GLN N . 18256 1 133 . 1 1 25 25 ALA H H 1 7.670 . . 1 . . . A 25 ALA H . 18256 1 134 . 1 1 25 25 ALA HA H 1 4.190 . . 1 . . . A 25 ALA HA . 18256 1 135 . 1 1 25 25 ALA C C 13 178.180 . . 1 . . . A 25 ALA C . 18256 1 136 . 1 1 25 25 ALA CA C 13 54.200 . . 1 . . . A 25 ALA CA . 18256 1 137 . 1 1 25 25 ALA CB C 13 19.170 . . 1 . . . A 25 ALA CB . 18256 1 138 . 1 1 25 25 ALA N N 15 121.410 . . 1 . . . A 25 ALA N . 18256 1 139 . 1 1 26 26 ARG H H 1 8.020 . . 1 . . . A 26 ARG H . 18256 1 140 . 1 1 26 26 ARG HA H 1 4.020 . . 1 . . . A 26 ARG HA . 18256 1 141 . 1 1 26 26 ARG C C 13 177.560 . . 1 . . . A 26 ARG C . 18256 1 142 . 1 1 26 26 ARG CA C 13 58.600 . . 1 . . . A 26 ARG CA . 18256 1 143 . 1 1 26 26 ARG CB C 13 30.280 . . 1 . . . A 26 ARG CB . 18256 1 144 . 1 1 26 26 ARG N N 15 117.280 . . 1 . . . A 26 ARG N . 18256 1 145 . 1 1 27 27 GLN H H 1 8.150 . . 1 . . . A 27 GLN H . 18256 1 146 . 1 1 27 27 GLN HA H 1 4.150 . . 1 . . . A 27 GLN HA . 18256 1 147 . 1 1 27 27 GLN C C 13 176.880 . . 1 . . . A 27 GLN C . 18256 1 148 . 1 1 27 27 GLN CA C 13 57.790 . . 1 . . . A 27 GLN CA . 18256 1 149 . 1 1 27 27 GLN CB C 13 28.820 . . 1 . . . A 27 GLN CB . 18256 1 150 . 1 1 27 27 GLN N N 15 117.680 . . 1 . . . A 27 GLN N . 18256 1 151 . 1 1 28 28 ASN H H 1 7.980 . . 1 . . . A 28 ASN H . 18256 1 152 . 1 1 28 28 ASN HA H 1 4.700 . . 1 . . . A 28 ASN HA . 18256 1 153 . 1 1 28 28 ASN C C 13 176.270 . . 1 . . . A 28 ASN C . 18256 1 154 . 1 1 28 28 ASN CA C 13 54.660 . . 1 . . . A 28 ASN CA . 18256 1 155 . 1 1 28 28 ASN CB C 13 39.160 . . 1 . . . A 28 ASN CB . 18256 1 156 . 1 1 28 28 ASN N N 15 117.370 . . 1 . . . A 28 ASN N . 18256 1 157 . 1 1 29 29 LEU H H 1 8.120 . . 1 . . . A 29 LEU H . 18256 1 158 . 1 1 29 29 LEU HA H 1 4.090 . . 1 . . . A 29 LEU HA . 18256 1 159 . 1 1 29 29 LEU C C 13 177.670 . . 1 . . . A 29 LEU C . 18256 1 160 . 1 1 29 29 LEU CA C 13 57.420 . . 1 . . . A 29 LEU CA . 18256 1 161 . 1 1 29 29 LEU CB C 13 41.980 . . 1 . . . A 29 LEU CB . 18256 1 162 . 1 1 29 29 LEU N N 15 120.890 . . 1 . . . A 29 LEU N . 18256 1 163 . 1 1 30 30 GLN H H 1 8.290 . . 1 . . . A 30 GLN H . 18256 1 164 . 1 1 30 30 GLN HA H 1 3.940 . . 1 . . . A 30 GLN HA . 18256 1 165 . 1 1 30 30 GLN C C 13 177.000 . . 1 . . . A 30 GLN C . 18256 1 166 . 1 1 30 30 GLN CA C 13 59.450 . . 1 . . . A 30 GLN CA . 18256 1 167 . 1 1 30 30 GLN CB C 13 28.690 . . 1 . . . A 30 GLN CB . 18256 1 168 . 1 1 30 30 GLN N N 15 117.840 . . 1 . . . A 30 GLN N . 18256 1 169 . 1 1 31 31 ASN H H 1 8.040 . . 1 . . . A 31 ASN H . 18256 1 170 . 1 1 31 31 ASN HA H 1 4.510 . . 1 . . . A 31 ASN HA . 18256 1 171 . 1 1 31 31 ASN C C 13 176.880 . . 1 . . . A 31 ASN C . 18256 1 172 . 1 1 31 31 ASN CB C 13 38.700 . . 1 . . . A 31 ASN CB . 18256 1 173 . 1 1 31 31 ASN N N 15 116.700 . . 1 . . . A 31 ASN N . 18256 1 174 . 1 1 32 32 LEU H H 1 8.040 . . 1 . . . A 32 LEU H . 18256 1 175 . 1 1 32 32 LEU HA H 1 4.090 . . 1 . . . A 32 LEU HA . 18256 1 176 . 1 1 32 32 LEU C C 13 177.880 . . 1 . . . A 32 LEU C . 18256 1 177 . 1 1 32 32 LEU CA C 13 58.270 . . 1 . . . A 32 LEU CA . 18256 1 178 . 1 1 32 32 LEU CB C 13 42.110 . . 1 . . . A 32 LEU CB . 18256 1 179 . 1 1 32 32 LEU N N 15 121.280 . . 1 . . . A 32 LEU N . 18256 1 180 . 1 1 33 33 PHE H H 1 8.260 . . 1 . . . A 33 PHE H . 18256 1 181 . 1 1 33 33 PHE HA H 1 4.250 . . 1 . . . A 33 PHE HA . 18256 1 182 . 1 1 33 33 PHE C C 13 176.980 . . 1 . . . A 33 PHE C . 18256 1 183 . 1 1 33 33 PHE CB C 13 38.910 . . 1 . . . A 33 PHE CB . 18256 1 184 . 1 1 33 33 PHE N N 15 117.360 . . 1 . . . A 33 PHE N . 18256 1 185 . 1 1 34 34 ILE H H 1 8.140 . . 1 . . . A 34 ILE H . 18256 1 186 . 1 1 34 34 ILE HA H 1 3.620 . . 1 . . . A 34 ILE HA . 18256 1 187 . 1 1 34 34 ILE C C 13 176.780 . . 1 . . . A 34 ILE C . 18256 1 188 . 1 1 34 34 ILE CA C 13 65.000 . . 1 . . . A 34 ILE CA . 18256 1 189 . 1 1 34 34 ILE CB C 13 37.750 . . 1 . . . A 34 ILE CB . 18256 1 190 . 1 1 34 34 ILE N N 15 118.190 . . 1 . . . A 34 ILE N . 18256 1 191 . 1 1 35 35 ASN H H 1 7.890 . . 1 . . . A 35 ASN H . 18256 1 192 . 1 1 35 35 ASN HA H 1 4.390 . . 1 . . . A 35 ASN HA . 18256 1 193 . 1 1 35 35 ASN C C 13 176.900 . . 1 . . . A 35 ASN C . 18256 1 194 . 1 1 35 35 ASN CA C 13 56.420 . . 1 . . . A 35 ASN CA . 18256 1 195 . 1 1 35 35 ASN CB C 13 38.730 . . 1 . . . A 35 ASN CB . 18256 1 196 . 1 1 35 35 ASN N N 15 117.210 . . 1 . . . A 35 ASN N . 18256 1 197 . 1 1 36 36 PHE H H 1 8.410 . . 1 . . . A 36 PHE H . 18256 1 198 . 1 1 36 36 PHE HA H 1 4.260 . . 1 . . . A 36 PHE HA . 18256 1 199 . 1 1 36 36 PHE C C 13 176.330 . . 1 . . . A 36 PHE C . 18256 1 200 . 1 1 36 36 PHE CA C 13 61.090 . . 1 . . . A 36 PHE CA . 18256 1 201 . 1 1 36 36 PHE CB C 13 39.100 . . 1 . . . A 36 PHE CB . 18256 1 202 . 1 1 36 36 PHE N N 15 118.090 . . 1 . . . A 36 PHE N . 18256 1 203 . 1 1 37 37 ALA H H 1 8.390 . . 1 . . . A 37 ALA H . 18256 1 204 . 1 1 37 37 ALA HA H 1 3.700 . . 1 . . . A 37 ALA HA . 18256 1 205 . 1 1 37 37 ALA C C 13 178.620 . . 1 . . . A 37 ALA C . 18256 1 206 . 1 1 37 37 ALA CA C 13 55.790 . . 1 . . . A 37 ALA CA . 18256 1 207 . 1 1 37 37 ALA CB C 13 17.960 . . 1 . . . A 37 ALA CB . 18256 1 208 . 1 1 37 37 ALA N N 15 120.810 . . 1 . . . A 37 ALA N . 18256 1 209 . 1 1 38 38 LEU H H 1 8.080 . . 1 . . . A 38 LEU H . 18256 1 210 . 1 1 38 38 LEU HA H 1 3.660 . . 1 . . . A 38 LEU HA . 18256 1 211 . 1 1 38 38 LEU C C 13 178.210 . . 1 . . . A 38 LEU C . 18256 1 212 . 1 1 38 38 LEU CA C 13 58.450 . . 1 . . . A 38 LEU CA . 18256 1 213 . 1 1 38 38 LEU CB C 13 41.900 . . 1 . . . A 38 LEU CB . 18256 1 214 . 1 1 38 38 LEU N N 15 115.470 . . 1 . . . A 38 LEU N . 18256 1 215 . 1 1 39 39 ILE H H 1 7.720 . . 1 . . . A 39 ILE H . 18256 1 216 . 1 1 39 39 ILE HA H 1 3.590 . . 1 . . . A 39 ILE HA . 18256 1 217 . 1 1 39 39 ILE C C 13 177.120 . . 1 . . . A 39 ILE C . 18256 1 218 . 1 1 39 39 ILE CA C 13 65.330 . . 1 . . . A 39 ILE CA . 18256 1 219 . 1 1 39 39 ILE CB C 13 37.630 . . 1 . . . A 39 ILE CB . 18256 1 220 . 1 1 39 39 ILE N N 15 117.650 . . 1 . . . A 39 ILE N . 18256 1 221 . 1 1 40 40 LEU H H 1 8.060 . . 1 . . . A 40 LEU H . 18256 1 222 . 1 1 40 40 LEU HA H 1 3.830 . . 1 . . . A 40 LEU HA . 18256 1 223 . 1 1 40 40 LEU C C 13 178.210 . . 1 . . . A 40 LEU C . 18256 1 224 . 1 1 40 40 LEU CA C 13 58.390 . . 1 . . . A 40 LEU CA . 18256 1 225 . 1 1 40 40 LEU CB C 13 41.710 . . 1 . . . A 40 LEU CB . 18256 1 226 . 1 1 40 40 LEU N N 15 119.070 . . 1 . . . A 40 LEU N . 18256 1 227 . 1 1 41 41 ILE H H 1 8.220 . . 1 . . . A 41 ILE H . 18256 1 228 . 1 1 41 41 ILE HA H 1 3.490 . . 1 . . . A 41 ILE HA . 18256 1 229 . 1 1 41 41 ILE C C 13 176.940 . . 1 . . . A 41 ILE C . 18256 1 230 . 1 1 41 41 ILE CA C 13 65.330 . . 1 . . . A 41 ILE CA . 18256 1 231 . 1 1 41 41 ILE CB C 13 37.420 . . 1 . . . A 41 ILE CB . 18256 1 232 . 1 1 41 41 ILE N N 15 117.330 . . 1 . . . A 41 ILE N . 18256 1 233 . 1 1 42 42 PHE H H 1 8.230 . . 1 . . . A 42 PHE H . 18256 1 234 . 1 1 42 42 PHE HA H 1 4.120 . . 1 . . . A 42 PHE HA . 18256 1 235 . 1 1 42 42 PHE C C 13 176.830 . . 1 . . . A 42 PHE C . 18256 1 236 . 1 1 42 42 PHE CA C 13 62.180 . . 1 . . . A 42 PHE CA . 18256 1 237 . 1 1 42 42 PHE CB C 13 39.080 . . 1 . . . A 42 PHE CB . 18256 1 238 . 1 1 42 42 PHE N N 15 119.410 . . 1 . . . A 42 PHE N . 18256 1 239 . 1 1 43 43 LEU H H 1 8.440 . . 1 . . . A 43 LEU H . 18256 1 240 . 1 1 43 43 LEU HA H 1 3.780 . . 1 . . . A 43 LEU HA . 18256 1 241 . 1 1 43 43 LEU C C 13 178.280 . . 1 . . . A 43 LEU C . 18256 1 242 . 1 1 43 43 LEU CA C 13 58.220 . . 1 . . . A 43 LEU CA . 18256 1 243 . 1 1 43 43 LEU CB C 13 41.760 . . 1 . . . A 43 LEU CB . 18256 1 244 . 1 1 43 43 LEU N N 15 117.370 . . 1 . . . A 43 LEU N . 18256 1 245 . 1 1 44 44 LEU H H 1 8.270 . . 1 . . . A 44 LEU H . 18256 1 246 . 1 1 44 44 LEU HA H 1 3.890 . . 1 . . . A 44 LEU HA . 18256 1 247 . 1 1 44 44 LEU C C 13 178.110 . . 1 . . . A 44 LEU C . 18256 1 248 . 1 1 44 44 LEU CA C 13 57.850 . . 1 . . . A 44 LEU CA . 18256 1 249 . 1 1 44 44 LEU CB C 13 41.870 . . 1 . . . A 44 LEU CB . 18256 1 250 . 1 1 44 44 LEU N N 15 117.960 . . 1 . . . A 44 LEU N . 18256 1 251 . 1 1 45 45 LEU H H 1 8.270 . . 1 . . . A 45 LEU H . 18256 1 252 . 1 1 45 45 LEU HA H 1 3.860 . . 1 . . . A 45 LEU HA . 18256 1 253 . 1 1 45 45 LEU C C 13 178.560 . . 1 . . . A 45 LEU C . 18256 1 254 . 1 1 45 45 LEU CA C 13 58.410 . . 1 . . . A 45 LEU CA . 18256 1 255 . 1 1 45 45 LEU CB C 13 41.520 . . 1 . . . A 45 LEU CB . 18256 1 256 . 1 1 45 45 LEU N N 15 118.580 . . 1 . . . A 45 LEU N . 18256 1 257 . 1 1 46 46 ILE H H 1 8.020 . . 1 . . . A 46 ILE H . 18256 1 258 . 1 1 46 46 ILE HA H 1 3.460 . . 1 . . . A 46 ILE HA . 18256 1 259 . 1 1 46 46 ILE C C 13 177.030 . . 1 . . . A 46 ILE C . 18256 1 260 . 1 1 46 46 ILE CA C 13 65.110 . . 1 . . . A 46 ILE CA . 18256 1 261 . 1 1 46 46 ILE CB C 13 36.690 . . 1 . . . A 46 ILE CB . 18256 1 262 . 1 1 46 46 ILE N N 15 117.280 . . 1 . . . A 46 ILE N . 18256 1 263 . 1 1 47 47 ALA H H 1 8.290 . . 1 . . . A 47 ALA H . 18256 1 264 . 1 1 47 47 ALA HA H 1 3.770 . . 1 . . . A 47 ALA HA . 18256 1 265 . 1 1 47 47 ALA C C 13 178.730 . . 1 . . . A 47 ALA C . 18256 1 266 . 1 1 47 47 ALA CA C 13 55.920 . . 1 . . . A 47 ALA CA . 18256 1 267 . 1 1 47 47 ALA CB C 13 18.130 . . 1 . . . A 47 ALA CB . 18256 1 268 . 1 1 47 47 ALA N N 15 121.040 . . 1 . . . A 47 ALA N . 18256 1 269 . 1 1 48 48 ILE H H 1 8.220 . . 1 . . . A 48 ILE H . 18256 1 270 . 1 1 48 48 ILE HA H 1 3.490 . . 1 . . . A 48 ILE HA . 18256 1 271 . 1 1 48 48 ILE C C 13 177.320 . . 1 . . . A 48 ILE C . 18256 1 272 . 1 1 48 48 ILE CA C 13 65.880 . . 1 . . . A 48 ILE CA . 18256 1 273 . 1 1 48 48 ILE CB C 13 37.920 . . 1 . . . A 48 ILE CB . 18256 1 274 . 1 1 48 48 ILE N N 15 116.280 . . 1 . . . A 48 ILE N . 18256 1 275 . 1 1 49 49 ILE H H 1 8.090 . . 1 . . . A 49 ILE H . 18256 1 276 . 1 1 49 49 ILE HA H 1 3.490 . . 1 . . . A 49 ILE HA . 18256 1 277 . 1 1 49 49 ILE C C 13 177.930 . . 1 . . . A 49 ILE C . 18256 1 278 . 1 1 49 49 ILE CA C 13 66.120 . . 1 . . . A 49 ILE CA . 18256 1 279 . 1 1 49 49 ILE CB C 13 37.620 . . 1 . . . A 49 ILE CB . 18256 1 280 . 1 1 49 49 ILE N N 15 118.560 . . 1 . . . A 49 ILE N . 18256 1 281 . 1 1 50 50 VAL H H 1 8.460 . . 1 . . . A 50 VAL H . 18256 1 282 . 1 1 50 50 VAL HA H 1 3.580 . . 1 . . . A 50 VAL HA . 18256 1 283 . 1 1 50 50 VAL C C 13 177.890 . . 1 . . . A 50 VAL C . 18256 1 284 . 1 1 50 50 VAL CA C 13 66.440 . . 1 . . . A 50 VAL CA . 18256 1 285 . 1 1 50 50 VAL CB C 13 31.430 . . 1 . . . A 50 VAL CB . 18256 1 286 . 1 1 50 50 VAL N N 15 115.890 . . 1 . . . A 50 VAL N . 18256 1 287 . 1 1 51 51 MET H H 1 8.010 . . 1 . . . A 51 MET H . 18256 1 288 . 1 1 51 51 MET HA H 1 4.250 . . 1 . . . A 51 MET HA . 18256 1 289 . 1 1 51 51 MET C C 13 177.300 . . 1 . . . A 51 MET C . 18256 1 290 . 1 1 51 51 MET CA C 13 57.530 . . 1 . . . A 51 MET CA . 18256 1 291 . 1 1 51 51 MET CB C 13 33.240 . . 1 . . . A 51 MET CB . 18256 1 292 . 1 1 51 51 MET N N 15 115.630 . . 1 . . . A 51 MET N . 18256 1 293 . 1 1 52 52 LEU H H 1 7.940 . . 1 . . . A 52 LEU H . 18256 1 294 . 1 1 52 52 LEU HA H 1 4.360 . . 1 . . . A 52 LEU HA . 18256 1 295 . 1 1 52 52 LEU C C 13 176.560 . . 1 . . . A 52 LEU C . 18256 1 296 . 1 1 52 52 LEU CA C 13 55.570 . . 1 . . . A 52 LEU CA . 18256 1 297 . 1 1 52 52 LEU CB C 13 43.630 . . 1 . . . A 52 LEU CB . 18256 1 298 . 1 1 52 52 LEU N N 15 118.350 . . 1 . . . A 52 LEU N . 18256 1 299 . 1 1 53 53 LEU H H 1 7.260 . . 1 . . . A 53 LEU H . 18256 1 300 . 1 1 53 53 LEU HA H 1 4.190 . . 1 . . . A 53 LEU HA . 18256 1 301 . 1 1 53 53 LEU CA C 13 54.330 . . 1 . . . A 53 LEU CA . 18256 1 302 . 1 1 53 53 LEU CB C 13 42.130 . . 1 . . . A 53 LEU CB . 18256 1 303 . 1 1 53 53 LEU N N 15 124.140 . . 1 . . . A 53 LEU N . 18256 1 stop_ save_