data_30681 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30681 _Entry.Title ; 3D structure of the leiomodin/tropomyosin binding interface ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-29 _Entry.Accession_date 2019-10-29 _Entry.Last_release_date 2019-11-13 _Entry.Original_release_date 2019-11-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30681 stop_ 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.ORCID _Entry_author.Entry_ID 1 D. Tolkatchev D. . . . 30681 2 G. Smith G. E. . . 30681 3 G. Helms G. L. . . 30681 4 J. Cort J. R. . . 30681 5 A. Kostyukova A. S. . . 30681 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'pointed end' . 30681 'thin filaments' . 30681 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30681 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 30681 '15N chemical shifts' 70 30681 '1H chemical shifts' 337 30681 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 . . 2022-07-06 2019-10-29 update BMRB 'update entry citation' 30681 1 . . 2020-09-28 2019-10-29 original author 'original release' 30681 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6UT2 . 30681 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30681 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32898131 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Leiomodin creates a leaky cap at the pointed end of actin-thin filaments ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Biol.' _Citation.Journal_name_full 'PLoS biology' _Citation.Journal_volume 18 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-7885 _Citation.Journal_CSD 0353 _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 e3000848 _Citation.Page_last e3000848 _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dmitri Tolkatchev D. . . . 30681 1 2 Garry Smith G. E. Jr . 30681 1 3 Lauren Schultz L. E. . . 30681 1 4 Mert Colpan M. . . . 30681 1 5 Gregory Helms G. L. . . 30681 1 6 John Cort J. R. . . 30681 1 7 Carol Gregorio C. C. . . 30681 1 8 Alla Kostyukova A. S. . . 30681 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30681 _Assembly.ID 1 _Assembly.Name 'Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A A yes . . . . . . 30681 1 2 'entity_2, 1' 2 $entity_2 B B yes . . . . . . 30681 1 3 'entity_2, 2' 2 $entity_2 C C yes . . . . . . 30681 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30681 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_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 ; STFGYRRGLSKYESIDEDEL LASLSAEELKELERELEDIE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 40 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4669.050 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID C-LMOD common 30681 1 'Cardiac leiomodin' common 30681 1 Leiomodin common 30681 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 2 SER . 30681 1 2 3 THR . 30681 1 3 4 PHE . 30681 1 4 5 GLY . 30681 1 5 6 TYR . 30681 1 6 7 ARG . 30681 1 7 8 ARG . 30681 1 8 9 GLY . 30681 1 9 10 LEU . 30681 1 10 11 SER . 30681 1 11 12 LYS . 30681 1 12 13 TYR . 30681 1 13 14 GLU . 30681 1 14 15 SER . 30681 1 15 16 ILE . 30681 1 16 17 ASP . 30681 1 17 18 GLU . 30681 1 18 19 ASP . 30681 1 19 20 GLU . 30681 1 20 21 LEU . 30681 1 21 22 LEU . 30681 1 22 23 ALA . 30681 1 23 24 SER . 30681 1 24 25 LEU . 30681 1 25 26 SER . 30681 1 26 27 ALA . 30681 1 27 28 GLU . 30681 1 28 29 GLU . 30681 1 29 30 LEU . 30681 1 30 31 LYS . 30681 1 31 32 GLU . 30681 1 32 33 LEU . 30681 1 33 34 GLU . 30681 1 34 35 ARG . 30681 1 35 36 GLU . 30681 1 36 37 LEU . 30681 1 37 38 GLU . 30681 1 38 39 ASP . 30681 1 39 40 ILE . 30681 1 40 41 GLU . 30681 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 . SER 1 1 30681 1 . THR 2 2 30681 1 . PHE 3 3 30681 1 . GLY 4 4 30681 1 . TYR 5 5 30681 1 . ARG 6 6 30681 1 . ARG 7 7 30681 1 . GLY 8 8 30681 1 . LEU 9 9 30681 1 . SER 10 10 30681 1 . LYS 11 11 30681 1 . TYR 12 12 30681 1 . GLU 13 13 30681 1 . SER 14 14 30681 1 . ILE 15 15 30681 1 . ASP 16 16 30681 1 . GLU 17 17 30681 1 . ASP 18 18 30681 1 . GLU 19 19 30681 1 . LEU 20 20 30681 1 . LEU 21 21 30681 1 . ALA 22 22 30681 1 . SER 23 23 30681 1 . LEU 24 24 30681 1 . SER 25 25 30681 1 . ALA 26 26 30681 1 . GLU 27 27 30681 1 . GLU 28 28 30681 1 . LEU 29 29 30681 1 . LYS 30 30 30681 1 . GLU 31 31 30681 1 . LEU 32 32 30681 1 . GLU 33 33 30681 1 . ARG 34 34 30681 1 . GLU 35 35 30681 1 . LEU 36 36 30681 1 . GLU 37 37 30681 1 . ASP 38 38 30681 1 . ILE 39 39 30681 1 . GLU 40 40 30681 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30681 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMDAIKKKMQMLKLDNYHLE NEVARLKKLVGER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3909.709 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Alpha-tropomyosin common 30681 2 Tropomyosin-1 common 30681 2 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 0 GLY . 30681 2 2 1 MET . 30681 2 3 2 ASP . 30681 2 4 3 ALA . 30681 2 5 4 ILE . 30681 2 6 5 LYS . 30681 2 7 6 LYS . 30681 2 8 7 LYS . 30681 2 9 8 MET . 30681 2 10 9 GLN . 30681 2 11 10 MET . 30681 2 12 11 LEU . 30681 2 13 12 LYS . 30681 2 14 13 LEU . 30681 2 15 14 ASP . 30681 2 16 15 ASN . 30681 2 17 16 TYR . 30681 2 18 17 HIS . 30681 2 19 18 LEU . 30681 2 20 19 GLU . 30681 2 21 20 ASN . 30681 2 22 21 GLU . 30681 2 23 22 VAL . 30681 2 24 23 ALA . 30681 2 25 24 ARG . 30681 2 26 25 LEU . 30681 2 27 26 LYS . 30681 2 28 27 LYS . 30681 2 29 28 LEU . 30681 2 30 29 VAL . 30681 2 31 30 GLY . 30681 2 32 31 GLU . 30681 2 33 32 ARG . 30681 2 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 30681 2 . MET 2 2 30681 2 . ASP 3 3 30681 2 . ALA 4 4 30681 2 . ILE 5 5 30681 2 . LYS 6 6 30681 2 . LYS 7 7 30681 2 . LYS 8 8 30681 2 . MET 9 9 30681 2 . GLN 10 10 30681 2 . MET 11 11 30681 2 . LEU 12 12 30681 2 . LYS 13 13 30681 2 . LEU 14 14 30681 2 . ASP 15 15 30681 2 . ASN 16 16 30681 2 . TYR 17 17 30681 2 . HIS 18 18 30681 2 . LEU 19 19 30681 2 . GLU 20 20 30681 2 . ASN 21 21 30681 2 . GLU 22 22 30681 2 . VAL 23 23 30681 2 . ALA 24 24 30681 2 . ARG 25 25 30681 2 . LEU 26 26 30681 2 . LYS 27 27 30681 2 . LYS 28 28 30681 2 . LEU 29 29 30681 2 . VAL 30 30 30681 2 . GLY 31 31 30681 2 . GLU 32 32 30681 2 . ARG 33 33 30681 2 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 30681 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . LMOD2 . 30681 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TPM1, C15orf13, TMSA' . 30681 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 30681 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30681 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30681 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30681 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] leiomodin peptide, 1 mM tropomyosin peptide, 90% H2O/10% D2O' _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 'leiomodin peptide' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 30681 1 2 'tropomyosin peptide' 'natural abundance' . . 2 $entity_2 . . 1 . . mM 0.2 . . . 30681 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30681 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] tropomyosin peptide, 1 mM leiomodin peptide, 90% H2O/10% D2O' _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 'leiomodin peptide' 'natural abundance' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 30681 2 2 'tropomyosin peptide' '[U-13C; U-15N]' . . 2 $entity_2 . . 0.5 . . mM 0.1 . . . 30681 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30681 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM [U-15N] leiomodin peptide, 0.6 mM tropomyosin peptide, 90% H2O/10% D2O' _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 'leiomodin peptide' [U-15N] . . 1 $entity_1 . . 0.3 . . mM 0.05 . . . 30681 3 2 'tropomyosin peptide' 'natural abundance' . . 2 $entity_2 . . 0.6 . . mM 0.1 . . . 30681 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30681 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM [U-15N] tropomyosin peptide, 0.6 mM leiomodin peptide, 90% H2O/10% D2O' _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 'leiomodin peptide' 'natural abundance' . . 1 $entity_1 . . 0.6 . . mM 0.1 . . . 30681 4 2 'tropomyosin peptide' [U-15N] . . 2 $entity_2 . . 0.3 . . mM 0.05 . . . 30681 4 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 30681 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.081 0.002 M 30681 1 pH 6.5 0.1 pH 30681 1 pressure 1 . atm 30681 1 temperature 298 . K 30681 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30681 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . 30681 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30681 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30681 _Software.ID 2 _Software.Type . _Software.Name TALOS _Software.Version TALOS+ _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30681 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30681 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30681 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version 9.2.0-b4 _Software.DOI . _Software.Details 'NMRViewJ Version 9.2.0-b4 with Java 1.8.0_92 x86_64' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30681 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30681 3 'peak picking' . 30681 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30681 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30681 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 30681 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Varian VNMRS . 600 . . . 30681 1 2 NMR_spectrometer_2 Varian INOVA . 500 . . . 30681 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 30681 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30681 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 8 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30681 1 14 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 15 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 16 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 17 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 19 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30681 1 20 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30681 1 21 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30681 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30681 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 30681 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 30681 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 30681 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30681 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 30681 1 2 '2D 1H-15N HSQC' . . . 30681 1 3 '2D 1H-15N HSQC' . . . 30681 1 4 '2D 1H-13C HSQC aliphatic' . . . 30681 1 5 '2D 1H-13C HSQC aromatic' . . . 30681 1 6 '3D HNCO' . . . 30681 1 7 '3D HN(CO)CA' . . . 30681 1 8 '3D HNCA' . . . 30681 1 9 '3D CBCA(CO)NH' . . . 30681 1 10 '3D HBHA(CO)NH' . . . 30681 1 11 '3D HCCH-TOCSY' . . . 30681 1 12 '3D 1H-15N NOESY' . . . 30681 1 13 '3D 1H-13C NOESY' . . . 30681 1 14 '3D HNCO' . . . 30681 1 15 '3D HN(CO)CA' . . . 30681 1 16 '3D HNCA' . . . 30681 1 17 '3D CBCA(CO)NH' . . . 30681 1 18 '3D HCCH-TOCSY' . . . 30681 1 19 '3D HNCACB' . . . 30681 1 20 '2D 1H-15N HSQC' . . . 30681 1 21 '3D 1H-15N NOESY' . . . 30681 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 THR HA H 1 4.2990 0.0000 . 1 . . . . A 3 THR HA . 30681 1 2 . 1 . 1 2 2 THR HB H 1 4.1170 0.0000 . 1 . . . . A 3 THR HB . 30681 1 3 . 1 . 1 2 2 THR HG21 H 1 1.0890 0.0000 . 1 . . . . A 3 THR HG21 . 30681 1 4 . 1 . 1 2 2 THR HG22 H 1 1.0890 0.0000 . 1 . . . . A 3 THR HG22 . 30681 1 5 . 1 . 1 2 2 THR HG23 H 1 1.0890 0.0000 . 1 . . . . A 3 THR HG23 . 30681 1 6 . 1 . 1 2 2 THR C C 13 174.2350 0.0000 . 1 . . . . A 3 THR C . 30681 1 7 . 1 . 1 2 2 THR CA C 13 62.4380 0.0000 . 1 . . . . A 3 THR CA . 30681 1 8 . 1 . 1 2 2 THR CB C 13 69.9940 0.0000 . 1 . . . . A 3 THR CB . 30681 1 9 . 1 . 1 2 2 THR CG2 C 13 21.6660 0.0000 . 1 . . . . A 3 THR CG2 . 30681 1 10 . 1 . 1 3 3 PHE H H 1 8.3450 0.0000 . 1 . . . . A 4 PHE H . 30681 1 11 . 1 . 1 3 3 PHE HA H 1 4.5730 0.0000 . 1 . . . . A 4 PHE HA . 30681 1 12 . 1 . 1 3 3 PHE HB2 H 1 3.0800 0.0000 . 2 . . . . A 4 PHE HB2 . 30681 1 13 . 1 . 1 3 3 PHE HB3 H 1 2.9650 0.0000 . 2 . . . . A 4 PHE HB3 . 30681 1 14 . 1 . 1 3 3 PHE C C 13 176.1430 0.0000 . 1 . . . . A 4 PHE C . 30681 1 15 . 1 . 1 3 3 PHE CA C 13 58.2780 0.0000 . 1 . . . . A 4 PHE CA . 30681 1 16 . 1 . 1 3 3 PHE CB C 13 39.6290 0.0000 . 1 . . . . A 4 PHE CB . 30681 1 17 . 1 . 1 3 3 PHE N N 15 122.1510 0.0000 . 1 . . . . A 4 PHE N . 30681 1 18 . 1 . 1 4 4 GLY H H 1 8.2560 0.0000 . 1 . . . . A 5 GLY H . 30681 1 19 . 1 . 1 4 4 GLY HA2 H 1 3.8560 0.0000 . 2 . . . . A 5 GLY HA2 . 30681 1 20 . 1 . 1 4 4 GLY C C 13 173.7880 0.0000 . 1 . . . . A 5 GLY C . 30681 1 21 . 1 . 1 4 4 GLY CA C 13 45.5640 0.0000 . 1 . . . . A 5 GLY CA . 30681 1 22 . 1 . 1 4 4 GLY N N 15 110.3480 0.0000 . 1 . . . . A 5 GLY N . 30681 1 23 . 1 . 1 5 5 TYR H H 1 8.0080 0.0000 . 1 . . . . A 6 TYR H . 30681 1 24 . 1 . 1 5 5 TYR HA H 1 4.4640 0.0000 . 1 . . . . A 6 TYR HA . 30681 1 25 . 1 . 1 5 5 TYR HB2 H 1 2.9490 0.0000 . 2 . . . . A 6 TYR HB2 . 30681 1 26 . 1 . 1 5 5 TYR HB3 H 1 2.9610 0.0000 . 2 . . . . A 6 TYR HB3 . 30681 1 27 . 1 . 1 5 5 TYR HD1 H 1 7.0610 0.0000 . 3 . . . . A 6 TYR HD1 . 30681 1 28 . 1 . 1 5 5 TYR HD2 H 1 7.0610 0.0000 . 3 . . . . A 6 TYR HD2 . 30681 1 29 . 1 . 1 5 5 TYR C C 13 175.7580 0.0000 . 1 . . . . A 6 TYR C . 30681 1 30 . 1 . 1 5 5 TYR CA C 13 58.4340 0.0000 . 1 . . . . A 6 TYR CA . 30681 1 31 . 1 . 1 5 5 TYR CB C 13 38.8330 0.0000 . 1 . . . . A 6 TYR CB . 30681 1 32 . 1 . 1 5 5 TYR N N 15 120.4000 0.0000 . 1 . . . . A 6 TYR N . 30681 1 33 . 1 . 1 6 6 ARG H H 1 8.0850 0.0000 . 1 . . . . A 7 ARG H . 30681 1 34 . 1 . 1 6 6 ARG HA H 1 4.2010 0.0000 . 1 . . . . A 7 ARG HA . 30681 1 35 . 1 . 1 6 6 ARG HB2 H 1 1.7830 0.0000 . 2 . . . . A 7 ARG HB2 . 30681 1 36 . 1 . 1 6 6 ARG HB3 H 1 1.6630 0.0000 . 2 . . . . A 7 ARG HB3 . 30681 1 37 . 1 . 1 6 6 ARG HG2 H 1 1.4910 0.0000 . 2 . . . . A 7 ARG HG2 . 30681 1 38 . 1 . 1 6 6 ARG HD2 H 1 3.1010 0.0000 . 2 . . . . A 7 ARG HD2 . 30681 1 39 . 1 . 1 6 6 ARG C C 13 175.8100 0.0000 . 1 . . . . A 7 ARG C . 30681 1 40 . 1 . 1 6 6 ARG CA C 13 56.1770 0.0000 . 1 . . . . A 7 ARG CA . 30681 1 41 . 1 . 1 6 6 ARG CB C 13 30.8690 0.0000 . 1 . . . . A 7 ARG CB . 30681 1 42 . 1 . 1 6 6 ARG CG C 13 27.1740 0.0000 . 1 . . . . A 7 ARG CG . 30681 1 43 . 1 . 1 6 6 ARG CD C 13 43.3970 0.0000 . 1 . . . . A 7 ARG CD . 30681 1 44 . 1 . 1 6 6 ARG N N 15 122.8490 0.0000 . 1 . . . . A 7 ARG N . 30681 1 45 . 1 . 1 7 7 ARG H H 1 8.2170 0.0000 . 1 . . . . A 8 ARG H . 30681 1 46 . 1 . 1 7 7 ARG HA H 1 4.2070 0.0000 . 1 . . . . A 8 ARG HA . 30681 1 47 . 1 . 1 7 7 ARG HB2 H 1 1.7700 0.0000 . 2 . . . . A 8 ARG HB2 . 30681 1 48 . 1 . 1 7 7 ARG HG2 H 1 1.6110 0.0000 . 2 . . . . A 8 ARG HG2 . 30681 1 49 . 1 . 1 7 7 ARG HD2 H 1 3.1490 0.0000 . 2 . . . . A 8 ARG HD2 . 30681 1 50 . 1 . 1 7 7 ARG C C 13 176.8710 0.0000 . 1 . . . . A 8 ARG C . 30681 1 51 . 1 . 1 7 7 ARG CA C 13 56.7400 0.0000 . 1 . . . . A 8 ARG CA . 30681 1 52 . 1 . 1 7 7 ARG CB C 13 30.7240 0.0000 . 1 . . . . A 8 ARG CB . 30681 1 53 . 1 . 1 7 7 ARG CG C 13 27.2130 0.0000 . 1 . . . . A 8 ARG CG . 30681 1 54 . 1 . 1 7 7 ARG CD C 13 43.3860 0.0000 . 1 . . . . A 8 ARG CD . 30681 1 55 . 1 . 1 7 7 ARG N N 15 121.7570 0.0000 . 1 . . . . A 8 ARG N . 30681 1 56 . 1 . 1 8 8 GLY H H 1 8.4960 0.0000 . 1 . . . . A 9 GLY H . 30681 1 57 . 1 . 1 8 8 GLY HA2 H 1 3.9440 0.0000 . 2 . . . . A 9 GLY HA2 . 30681 1 58 . 1 . 1 8 8 GLY C C 13 174.2620 0.0000 . 1 . . . . A 9 GLY C . 30681 1 59 . 1 . 1 8 8 GLY CA C 13 45.5770 0.0000 . 1 . . . . A 9 GLY CA . 30681 1 60 . 1 . 1 8 8 GLY N N 15 110.0400 0.0000 . 1 . . . . A 9 GLY N . 30681 1 61 . 1 . 1 9 9 LEU H H 1 8.0700 0.0000 . 1 . . . . A 10 LEU H . 30681 1 62 . 1 . 1 9 9 LEU HA H 1 4.3680 0.0000 . 1 . . . . A 10 LEU HA . 30681 1 63 . 1 . 1 9 9 LEU HB2 H 1 1.6000 0.0000 . 2 . . . . A 10 LEU HB2 . 30681 1 64 . 1 . 1 9 9 LEU HG H 1 1.5910 0.0000 . 1 . . . . A 10 LEU HG . 30681 1 65 . 1 . 1 9 9 LEU HD11 H 1 0.8720 0.0000 . 2 . . . . A 10 LEU HD11 . 30681 1 66 . 1 . 1 9 9 LEU HD12 H 1 0.8720 0.0000 . 2 . . . . A 10 LEU HD12 . 30681 1 67 . 1 . 1 9 9 LEU HD13 H 1 0.8720 0.0000 . 2 . . . . A 10 LEU HD13 . 30681 1 68 . 1 . 1 9 9 LEU HD21 H 1 0.8250 0.0000 . 2 . . . . A 10 LEU HD21 . 30681 1 69 . 1 . 1 9 9 LEU HD22 H 1 0.8250 0.0000 . 2 . . . . A 10 LEU HD22 . 30681 1 70 . 1 . 1 9 9 LEU HD23 H 1 0.8250 0.0000 . 2 . . . . A 10 LEU HD23 . 30681 1 71 . 1 . 1 9 9 LEU C C 13 177.7160 0.0000 . 1 . . . . A 10 LEU C . 30681 1 72 . 1 . 1 9 9 LEU CA C 13 55.4390 0.0000 . 1 . . . . A 10 LEU CA . 30681 1 73 . 1 . 1 9 9 LEU CB C 13 42.5860 0.0000 . 1 . . . . A 10 LEU CB . 30681 1 74 . 1 . 1 9 9 LEU CG C 13 27.0980 0.0000 . 1 . . . . A 10 LEU CG . 30681 1 75 . 1 . 1 9 9 LEU CD1 C 13 25.1750 0.0000 . 2 . . . . A 10 LEU CD1 . 30681 1 76 . 1 . 1 9 9 LEU CD2 C 13 23.5180 0.0000 . 2 . . . . A 10 LEU CD2 . 30681 1 77 . 1 . 1 9 9 LEU N N 15 121.1100 0.0000 . 1 . . . . A 10 LEU N . 30681 1 78 . 1 . 1 10 10 SER H H 1 8.3260 0.0000 . 1 . . . . A 11 SER H . 30681 1 79 . 1 . 1 10 10 SER HA H 1 4.4120 0.0000 . 1 . . . . A 11 SER HA . 30681 1 80 . 1 . 1 10 10 SER HB2 H 1 3.9000 0.0000 . 2 . . . . A 11 SER HB2 . 30681 1 81 . 1 . 1 10 10 SER C C 13 175.2320 0.0000 . 1 . . . . A 11 SER C . 30681 1 82 . 1 . 1 10 10 SER CA C 13 58.9000 0.0000 . 1 . . . . A 11 SER CA . 30681 1 83 . 1 . 1 10 10 SER CB C 13 63.9610 0.0000 . 1 . . . . A 11 SER CB . 30681 1 84 . 1 . 1 10 10 SER N N 15 116.2270 0.0000 . 1 . . . . A 11 SER N . 30681 1 85 . 1 . 1 11 11 LYS H H 1 8.3030 0.0000 . 1 . . . . A 12 LYS H . 30681 1 86 . 1 . 1 11 11 LYS HA H 1 4.1450 0.0000 . 1 . . . . A 12 LYS HA . 30681 1 87 . 1 . 1 11 11 LYS HB2 H 1 1.5690 0.0000 . 2 . . . . A 12 LYS HB2 . 30681 1 88 . 1 . 1 11 11 LYS HG2 H 1 1.0800 0.0000 . 2 . . . . A 12 LYS HG2 . 30681 1 89 . 1 . 1 11 11 LYS HD2 H 1 1.5510 0.0000 . 2 . . . . A 12 LYS HD2 . 30681 1 90 . 1 . 1 11 11 LYS HE2 H 1 2.8750 0.0000 . 2 . . . . A 12 LYS HE2 . 30681 1 91 . 1 . 1 11 11 LYS C C 13 176.5590 0.0000 . 1 . . . . A 12 LYS C . 30681 1 92 . 1 . 1 11 11 LYS CA C 13 57.5760 0.0000 . 1 . . . . A 12 LYS CA . 30681 1 93 . 1 . 1 11 11 LYS CB C 13 32.5160 0.0000 . 1 . . . . A 12 LYS CB . 30681 1 94 . 1 . 1 11 11 LYS CG C 13 24.3140 0.0000 . 1 . . . . A 12 LYS CG . 30681 1 95 . 1 . 1 11 11 LYS CD C 13 29.2600 0.0000 . 1 . . . . A 12 LYS CD . 30681 1 96 . 1 . 1 11 11 LYS CE C 13 42.0940 0.0000 . 1 . . . . A 12 LYS CE . 30681 1 97 . 1 . 1 11 11 LYS N N 15 122.5880 0.0000 . 1 . . . . A 12 LYS N . 30681 1 98 . 1 . 1 12 12 TYR H H 1 7.9680 0.0000 . 1 . . . . A 13 TYR H . 30681 1 99 . 1 . 1 12 12 TYR HA H 1 4.5490 0.0000 . 1 . . . . A 13 TYR HA . 30681 1 100 . 1 . 1 12 12 TYR HB2 H 1 2.8460 0.0000 . 2 . . . . A 13 TYR HB2 . 30681 1 101 . 1 . 1 12 12 TYR HD1 H 1 7.0730 0.0000 . 3 . . . . A 13 TYR HD1 . 30681 1 102 . 1 . 1 12 12 TYR HE1 H 1 6.8540 0.0000 . 3 . . . . A 13 TYR HE1 . 30681 1 103 . 1 . 1 12 12 TYR C C 13 175.8400 0.0000 . 1 . . . . A 13 TYR C . 30681 1 104 . 1 . 1 12 12 TYR CA C 13 57.9750 0.0000 . 1 . . . . A 13 TYR CA . 30681 1 105 . 1 . 1 12 12 TYR CB C 13 38.8150 0.0000 . 1 . . . . A 13 TYR CB . 30681 1 106 . 1 . 1 12 12 TYR N N 15 118.5060 0.0000 . 1 . . . . A 13 TYR N . 30681 1 107 . 1 . 1 13 13 GLU H H 1 7.9260 0.0000 . 1 . . . . A 14 GLU H . 30681 1 108 . 1 . 1 13 13 GLU HA H 1 4.2660 0.0000 . 1 . . . . A 14 GLU HA . 30681 1 109 . 1 . 1 13 13 GLU HB2 H 1 2.0320 0.0000 . 2 . . . . A 14 GLU HB2 . 30681 1 110 . 1 . 1 13 13 GLU HG2 H 1 2.2560 0.0000 . 2 . . . . A 14 GLU HG2 . 30681 1 111 . 1 . 1 13 13 GLU C C 13 176.3540 0.0000 . 1 . . . . A 14 GLU C . 30681 1 112 . 1 . 1 13 13 GLU CA C 13 57.0840 0.0000 . 1 . . . . A 14 GLU CA . 30681 1 113 . 1 . 1 13 13 GLU CB C 13 30.5860 0.0000 . 1 . . . . A 14 GLU CB . 30681 1 114 . 1 . 1 13 13 GLU N N 15 120.9200 0.0000 . 1 . . . . A 14 GLU N . 30681 1 115 . 1 . 1 14 14 SER H H 1 8.2050 0.0000 . 1 . . . . A 15 SER H . 30681 1 116 . 1 . 1 14 14 SER HA H 1 4.4760 0.0000 . 1 . . . . A 15 SER HA . 30681 1 117 . 1 . 1 14 14 SER HB2 H 1 3.8820 0.0000 . 2 . . . . A 15 SER HB2 . 30681 1 118 . 1 . 1 14 14 SER HB3 H 1 3.8860 0.0000 . 2 . . . . A 15 SER HB3 . 30681 1 119 . 1 . 1 14 14 SER C C 13 174.5280 0.0000 . 1 . . . . A 15 SER C . 30681 1 120 . 1 . 1 14 14 SER CA C 13 58.6400 0.0000 . 1 . . . . A 15 SER CA . 30681 1 121 . 1 . 1 14 14 SER CB C 13 63.9360 0.0000 . 1 . . . . A 15 SER CB . 30681 1 122 . 1 . 1 14 14 SER N N 15 115.5620 0.0000 . 1 . . . . A 15 SER N . 30681 1 123 . 1 . 1 15 15 ILE H H 1 7.8970 0.0000 . 1 . . . . A 16 ILE H . 30681 1 124 . 1 . 1 15 15 ILE HA H 1 4.1650 0.0000 . 1 . . . . A 16 ILE HA . 30681 1 125 . 1 . 1 15 15 ILE HB H 1 1.8770 0.0000 . 1 . . . . A 16 ILE HB . 30681 1 126 . 1 . 1 15 15 ILE HG12 H 1 1.4960 0.0000 . 2 . . . . A 16 ILE HG12 . 30681 1 127 . 1 . 1 15 15 ILE HG13 H 1 1.1830 0.0000 . 2 . . . . A 16 ILE HG13 . 30681 1 128 . 1 . 1 15 15 ILE HG21 H 1 0.8760 0.0000 . 1 . . . . A 16 ILE HG21 . 30681 1 129 . 1 . 1 15 15 ILE HG22 H 1 0.8760 0.0000 . 1 . . . . A 16 ILE HG22 . 30681 1 130 . 1 . 1 15 15 ILE HG23 H 1 0.8760 0.0000 . 1 . . . . A 16 ILE HG23 . 30681 1 131 . 1 . 1 15 15 ILE HD11 H 1 0.8350 0.0000 . 1 . . . . A 16 ILE HD11 . 30681 1 132 . 1 . 1 15 15 ILE HD12 H 1 0.8350 0.0000 . 1 . . . . A 16 ILE HD12 . 30681 1 133 . 1 . 1 15 15 ILE HD13 H 1 0.8350 0.0000 . 1 . . . . A 16 ILE HD13 . 30681 1 134 . 1 . 1 15 15 ILE C C 13 175.2770 0.0000 . 1 . . . . A 16 ILE C . 30681 1 135 . 1 . 1 15 15 ILE CA C 13 61.3700 0.0000 . 1 . . . . A 16 ILE CA . 30681 1 136 . 1 . 1 15 15 ILE CB C 13 39.1920 0.0000 . 1 . . . . A 16 ILE CB . 30681 1 137 . 1 . 1 15 15 ILE CG1 C 13 27.3100 0.0000 . 1 . . . . A 16 ILE CG1 . 30681 1 138 . 1 . 1 15 15 ILE CG2 C 13 17.7330 0.0000 . 1 . . . . A 16 ILE CG2 . 30681 1 139 . 1 . 1 15 15 ILE CD1 C 13 13.6120 0.0000 . 1 . . . . A 16 ILE CD1 . 30681 1 140 . 1 . 1 15 15 ILE N N 15 121.7460 0.0000 . 1 . . . . A 16 ILE N . 30681 1 141 . 1 . 1 16 16 ASP H H 1 8.4010 0.0000 . 1 . . . . A 17 ASP H . 30681 1 142 . 1 . 1 16 16 ASP HA H 1 4.6190 0.0000 . 1 . . . . A 17 ASP HA . 30681 1 143 . 1 . 1 16 16 ASP HB2 H 1 2.8020 0.0000 . 2 . . . . A 17 ASP HB2 . 30681 1 144 . 1 . 1 16 16 ASP HB3 H 1 2.6050 0.0000 . 2 . . . . A 17 ASP HB3 . 30681 1 145 . 1 . 1 16 16 ASP C C 13 176.6270 0.0000 . 1 . . . . A 17 ASP C . 30681 1 146 . 1 . 1 16 16 ASP CA C 13 54.1820 0.0000 . 1 . . . . A 17 ASP CA . 30681 1 147 . 1 . 1 16 16 ASP CB C 13 41.0670 0.0000 . 1 . . . . A 17 ASP CB . 30681 1 148 . 1 . 1 16 16 ASP N N 15 123.9060 0.0000 . 1 . . . . A 17 ASP N . 30681 1 149 . 1 . 1 17 17 GLU H H 1 8.8140 0.0000 . 1 . . . . A 18 GLU H . 30681 1 150 . 1 . 1 17 17 GLU HA H 1 3.9380 0.0000 . 1 . . . . A 18 GLU HA . 30681 1 151 . 1 . 1 17 17 GLU HB2 H 1 2.0150 0.0000 . 2 . . . . A 18 GLU HB2 . 30681 1 152 . 1 . 1 17 17 GLU HG2 H 1 2.2840 0.0000 . 2 . . . . A 18 GLU HG2 . 30681 1 153 . 1 . 1 17 17 GLU C C 13 177.1540 0.0000 . 1 . . . . A 18 GLU C . 30681 1 154 . 1 . 1 17 17 GLU CA C 13 59.5310 0.0000 . 1 . . . . A 18 GLU CA . 30681 1 155 . 1 . 1 17 17 GLU CB C 13 29.5700 0.0000 . 1 . . . . A 18 GLU CB . 30681 1 156 . 1 . 1 17 17 GLU N N 15 122.6520 0.0000 . 1 . . . . A 18 GLU N . 30681 1 157 . 1 . 1 18 18 ASP H H 1 8.2510 0.0000 . 1 . . . . A 19 ASP H . 30681 1 158 . 1 . 1 18 18 ASP HA H 1 4.3460 0.0000 . 1 . . . . A 19 ASP HA . 30681 1 159 . 1 . 1 18 18 ASP HB2 H 1 2.7000 0.0000 . 2 . . . . A 19 ASP HB2 . 30681 1 160 . 1 . 1 18 18 ASP C C 13 178.6570 0.0000 . 1 . . . . A 19 ASP C . 30681 1 161 . 1 . 1 18 18 ASP CA C 13 57.6710 0.0000 . 1 . . . . A 19 ASP CA . 30681 1 162 . 1 . 1 18 18 ASP CB C 13 40.3960 0.0000 . 1 . . . . A 19 ASP CB . 30681 1 163 . 1 . 1 18 18 ASP N N 15 119.7310 0.0000 . 1 . . . . A 19 ASP N . 30681 1 164 . 1 . 1 19 19 GLU H H 1 7.9920 0.0000 . 1 . . . . A 20 GLU H . 30681 1 165 . 1 . 1 19 19 GLU HA H 1 4.0540 0.0000 . 1 . . . . A 20 GLU HA . 30681 1 166 . 1 . 1 19 19 GLU HB2 H 1 2.0790 0.0000 . 2 . . . . A 20 GLU HB2 . 30681 1 167 . 1 . 1 19 19 GLU HG2 H 1 2.2580 0.0000 . 2 . . . . A 20 GLU HG2 . 30681 1 168 . 1 . 1 19 19 GLU C C 13 178.9740 0.0000 . 1 . . . . A 20 GLU C . 30681 1 169 . 1 . 1 19 19 GLU CA C 13 58.8200 0.0000 . 1 . . . . A 20 GLU CA . 30681 1 170 . 1 . 1 19 19 GLU CB C 13 29.7710 0.0000 . 1 . . . . A 20 GLU CB . 30681 1 171 . 1 . 1 19 19 GLU N N 15 120.6940 0.0000 . 1 . . . . A 20 GLU N . 30681 1 172 . 1 . 1 20 20 LEU H H 1 7.9280 0.0000 . 1 . . . . A 21 LEU H . 30681 1 173 . 1 . 1 20 20 LEU HA H 1 4.1020 0.0000 . 1 . . . . A 21 LEU HA . 30681 1 174 . 1 . 1 20 20 LEU C C 13 180.1970 0.0000 . 1 . . . . A 21 LEU C . 30681 1 175 . 1 . 1 20 20 LEU CA C 13 57.5910 0.0000 . 1 . . . . A 21 LEU CA . 30681 1 176 . 1 . 1 20 20 LEU CB C 13 42.2300 0.0000 . 1 . . . . A 21 LEU CB . 30681 1 177 . 1 . 1 20 20 LEU N N 15 119.6800 0.0000 . 1 . . . . A 21 LEU N . 30681 1 178 . 1 . 1 21 21 LEU H H 1 8.2810 0.0000 . 1 . . . . A 22 LEU H . 30681 1 179 . 1 . 1 21 21 LEU HA H 1 4.1290 0.0000 . 1 . . . . A 22 LEU HA . 30681 1 180 . 1 . 1 21 21 LEU C C 13 178.4000 0.0000 . 1 . . . . A 22 LEU C . 30681 1 181 . 1 . 1 21 21 LEU CA C 13 57.5130 0.0000 . 1 . . . . A 22 LEU CA . 30681 1 182 . 1 . 1 21 21 LEU CB C 13 42.4580 0.0000 . 1 . . . . A 22 LEU CB . 30681 1 183 . 1 . 1 21 21 LEU N N 15 118.8600 0.0000 . 1 . . . . A 22 LEU N . 30681 1 184 . 1 . 1 22 22 ALA H H 1 7.6410 0.0000 . 1 . . . . A 23 ALA H . 30681 1 185 . 1 . 1 22 22 ALA HA H 1 4.2040 0.0000 . 1 . . . . A 23 ALA HA . 30681 1 186 . 1 . 1 22 22 ALA HB1 H 1 1.4940 0.0000 . 1 . . . . A 23 ALA HB1 . 30681 1 187 . 1 . 1 22 22 ALA HB2 H 1 1.4940 0.0000 . 1 . . . . A 23 ALA HB2 . 30681 1 188 . 1 . 1 22 22 ALA HB3 H 1 1.4940 0.0000 . 1 . . . . A 23 ALA HB3 . 30681 1 189 . 1 . 1 22 22 ALA C C 13 177.9830 0.0000 . 1 . . . . A 23 ALA C . 30681 1 190 . 1 . 1 22 22 ALA CA C 13 54.1430 0.0000 . 1 . . . . A 23 ALA CA . 30681 1 191 . 1 . 1 22 22 ALA CB C 13 18.6900 0.0000 . 1 . . . . A 23 ALA CB . 30681 1 192 . 1 . 1 22 22 ALA N N 15 118.4120 0.0000 . 1 . . . . A 23 ALA N . 30681 1 193 . 1 . 1 23 23 SER H H 1 7.5920 0.0000 . 1 . . . . A 24 SER H . 30681 1 194 . 1 . 1 23 23 SER HA H 1 4.4950 0.0000 . 1 . . . . A 24 SER HA . 30681 1 195 . 1 . 1 23 23 SER HB2 H 1 4.0230 0.0000 . 2 . . . . A 24 SER HB2 . 30681 1 196 . 1 . 1 23 23 SER HB3 H 1 4.0230 0.0000 . 2 . . . . A 24 SER HB3 . 30681 1 197 . 1 . 1 23 23 SER C C 13 174.4160 0.0000 . 1 . . . . A 24 SER C . 30681 1 198 . 1 . 1 23 23 SER CA C 13 58.7510 0.0000 . 1 . . . . A 24 SER CA . 30681 1 199 . 1 . 1 23 23 SER CB C 13 64.4210 0.0000 . 1 . . . . A 24 SER CB . 30681 1 200 . 1 . 1 23 23 SER N N 15 111.3740 0.0000 . 1 . . . . A 24 SER N . 30681 1 201 . 1 . 1 24 24 LEU H H 1 7.1640 0.0000 . 1 . . . . A 25 LEU H . 30681 1 202 . 1 . 1 24 24 LEU HA H 1 4.0780 0.0000 . 1 . . . . A 25 LEU HA . 30681 1 203 . 1 . 1 24 24 LEU C C 13 177.3970 0.0000 . 1 . . . . A 25 LEU C . 30681 1 204 . 1 . 1 24 24 LEU CA C 13 54.8410 0.0000 . 1 . . . . A 25 LEU CA . 30681 1 205 . 1 . 1 24 24 LEU CB C 13 42.2290 0.0000 . 1 . . . . A 25 LEU CB . 30681 1 206 . 1 . 1 24 24 LEU N N 15 122.3980 0.0000 . 1 . . . . A 25 LEU N . 30681 1 207 . 1 . 1 25 25 SER H H 1 9.4100 0.0000 . 1 . . . . A 26 SER H . 30681 1 208 . 1 . 1 25 25 SER HA H 1 4.5380 0.0000 . 1 . . . . A 26 SER HA . 30681 1 209 . 1 . 1 25 25 SER HB2 H 1 4.1110 0.0000 . 2 . . . . A 26 SER HB2 . 30681 1 210 . 1 . 1 25 25 SER C C 13 174.6760 0.0000 . 1 . . . . A 26 SER C . 30681 1 211 . 1 . 1 25 25 SER CA C 13 57.1920 0.0000 . 1 . . . . A 26 SER CA . 30681 1 212 . 1 . 1 25 25 SER CB C 13 65.8580 0.0000 . 1 . . . . A 26 SER CB . 30681 1 213 . 1 . 1 25 25 SER N N 15 119.2900 0.0000 . 1 . . . . A 26 SER N . 30681 1 214 . 1 . 1 26 26 ALA H H 1 9.0060 0.0000 . 1 . . . . A 27 ALA H . 30681 1 215 . 1 . 1 26 26 ALA HA H 1 4.1100 0.0000 . 1 . . . . A 27 ALA HA . 30681 1 216 . 1 . 1 26 26 ALA HB1 H 1 1.5180 0.0000 . 1 . . . . A 27 ALA HB1 . 30681 1 217 . 1 . 1 26 26 ALA HB2 H 1 1.5180 0.0000 . 1 . . . . A 27 ALA HB2 . 30681 1 218 . 1 . 1 26 26 ALA HB3 H 1 1.5180 0.0000 . 1 . . . . A 27 ALA HB3 . 30681 1 219 . 1 . 1 26 26 ALA C C 13 181.0490 0.0000 . 1 . . . . A 27 ALA C . 30681 1 220 . 1 . 1 26 26 ALA CA C 13 55.9070 0.0000 . 1 . . . . A 27 ALA CA . 30681 1 221 . 1 . 1 26 26 ALA CB C 13 18.2590 0.0000 . 1 . . . . A 27 ALA CB . 30681 1 222 . 1 . 1 26 26 ALA N N 15 122.9690 0.0000 . 1 . . . . A 27 ALA N . 30681 1 223 . 1 . 1 27 27 GLU H H 1 8.6810 0.0000 . 1 . . . . A 28 GLU H . 30681 1 224 . 1 . 1 27 27 GLU HA H 1 4.0650 0.0000 . 1 . . . . A 28 GLU HA . 30681 1 225 . 1 . 1 27 27 GLU HB2 H 1 2.0560 0.0000 . 2 . . . . A 28 GLU HB2 . 30681 1 226 . 1 . 1 27 27 GLU HB3 H 1 1.5310 0.0000 . 2 . . . . A 28 GLU HB3 . 30681 1 227 . 1 . 1 27 27 GLU HG2 H 1 2.4050 0.0000 . 2 . . . . A 28 GLU HG2 . 30681 1 228 . 1 . 1 27 27 GLU C C 13 179.6010 0.0000 . 1 . . . . A 28 GLU C . 30681 1 229 . 1 . 1 27 27 GLU CA C 13 59.9670 0.0000 . 1 . . . . A 28 GLU CA . 30681 1 230 . 1 . 1 27 27 GLU CB C 13 29.3820 0.0000 . 1 . . . . A 28 GLU CB . 30681 1 231 . 1 . 1 27 27 GLU N N 15 117.4870 0.0000 . 1 . . . . A 28 GLU N . 30681 1 232 . 1 . 1 28 28 GLU H H 1 7.8210 0.0000 . 1 . . . . A 29 GLU H . 30681 1 233 . 1 . 1 28 28 GLU HA H 1 4.0700 0.0000 . 1 . . . . A 29 GLU HA . 30681 1 234 . 1 . 1 28 28 GLU HB2 H 1 2.0650 0.0000 . 2 . . . . A 29 GLU HB2 . 30681 1 235 . 1 . 1 28 28 GLU HG2 H 1 2.3800 0.0000 . 2 . . . . A 29 GLU HG2 . 30681 1 236 . 1 . 1 28 28 GLU C C 13 178.9340 0.0000 . 1 . . . . A 29 GLU C . 30681 1 237 . 1 . 1 28 28 GLU CA C 13 59.3790 0.0000 . 1 . . . . A 29 GLU CA . 30681 1 238 . 1 . 1 28 28 GLU CB C 13 30.9740 0.0000 . 1 . . . . A 29 GLU CB . 30681 1 239 . 1 . 1 28 28 GLU N N 15 121.7850 0.0000 . 1 . . . . A 29 GLU N . 30681 1 240 . 1 . 1 29 29 LEU H H 1 8.5670 0.0000 . 1 . . . . A 30 LEU H . 30681 1 241 . 1 . 1 29 29 LEU HA H 1 3.9550 0.0000 . 1 . . . . A 30 LEU HA . 30681 1 242 . 1 . 1 29 29 LEU HB3 H 1 1.5220 0.0000 . 2 . . . . A 30 LEU HB3 . 30681 1 243 . 1 . 1 29 29 LEU HD11 H 1 0.8990 0.0000 . 2 . . . . A 30 LEU HD11 . 30681 1 244 . 1 . 1 29 29 LEU HD12 H 1 0.8990 0.0000 . 2 . . . . A 30 LEU HD12 . 30681 1 245 . 1 . 1 29 29 LEU HD13 H 1 0.8990 0.0000 . 2 . . . . A 30 LEU HD13 . 30681 1 246 . 1 . 1 29 29 LEU C C 13 179.2240 0.0000 . 1 . . . . A 30 LEU C . 30681 1 247 . 1 . 1 29 29 LEU CA C 13 58.3640 0.0000 . 1 . . . . A 30 LEU CA . 30681 1 248 . 1 . 1 29 29 LEU CB C 13 42.0380 0.0000 . 1 . . . . A 30 LEU CB . 30681 1 249 . 1 . 1 29 29 LEU CD1 C 13 25.7320 0.0000 . 2 . . . . A 30 LEU CD1 . 30681 1 250 . 1 . 1 29 29 LEU N N 15 119.7200 0.0000 . 1 . . . . A 30 LEU N . 30681 1 251 . 1 . 1 30 30 LYS H H 1 7.6980 0.0000 . 1 . . . . A 31 LYS H . 30681 1 252 . 1 . 1 30 30 LYS HA H 1 4.1120 0.0000 . 1 . . . . A 31 LYS HA . 30681 1 253 . 1 . 1 30 30 LYS HB2 H 1 1.9540 0.0000 . 2 . . . . A 31 LYS HB2 . 30681 1 254 . 1 . 1 30 30 LYS HG2 H 1 1.6160 0.0000 . 2 . . . . A 31 LYS HG2 . 30681 1 255 . 1 . 1 30 30 LYS HG3 H 1 1.4780 0.0000 . 2 . . . . A 31 LYS HG3 . 30681 1 256 . 1 . 1 30 30 LYS HD2 H 1 1.7240 0.0000 . 2 . . . . A 31 LYS HD2 . 30681 1 257 . 1 . 1 30 30 LYS HE2 H 1 2.9770 0.0000 . 2 . . . . A 31 LYS HE2 . 30681 1 258 . 1 . 1 30 30 LYS C C 13 179.2600 0.0000 . 1 . . . . A 31 LYS C . 30681 1 259 . 1 . 1 30 30 LYS CA C 13 59.5030 0.0000 . 1 . . . . A 31 LYS CA . 30681 1 260 . 1 . 1 30 30 LYS CB C 13 32.1480 0.0000 . 1 . . . . A 31 LYS CB . 30681 1 261 . 1 . 1 30 30 LYS CG C 13 25.0110 0.0000 . 1 . . . . A 31 LYS CG . 30681 1 262 . 1 . 1 30 30 LYS CD C 13 29.2280 0.0000 . 1 . . . . A 31 LYS CD . 30681 1 263 . 1 . 1 30 30 LYS CE C 13 42.1210 0.0000 . 1 . . . . A 31 LYS CE . 30681 1 264 . 1 . 1 30 30 LYS N N 15 119.0200 0.0000 . 1 . . . . A 31 LYS N . 30681 1 265 . 1 . 1 31 31 GLU H H 1 7.7110 0.0000 . 1 . . . . A 32 GLU H . 30681 1 266 . 1 . 1 31 31 GLU HA H 1 4.0500 0.0000 . 1 . . . . A 32 GLU HA . 30681 1 267 . 1 . 1 31 31 GLU HG2 H 1 2.1910 0.0000 . 2 . . . . A 32 GLU HG2 . 30681 1 268 . 1 . 1 31 31 GLU C C 13 178.8640 0.0000 . 1 . . . . A 32 GLU C . 30681 1 269 . 1 . 1 31 31 GLU CA C 13 59.2140 0.0000 . 1 . . . . A 32 GLU CA . 30681 1 270 . 1 . 1 31 31 GLU CB C 13 29.5680 0.0000 . 1 . . . . A 32 GLU CB . 30681 1 271 . 1 . 1 31 31 GLU N N 15 119.9650 0.0000 . 1 . . . . A 32 GLU N . 30681 1 272 . 1 . 1 32 32 LEU H H 1 8.2960 0.0000 . 1 . . . . A 33 LEU H . 30681 1 273 . 1 . 1 32 32 LEU HA H 1 4.0560 0.0000 . 1 . . . . A 33 LEU HA . 30681 1 274 . 1 . 1 32 32 LEU C C 13 178.1950 0.0000 . 1 . . . . A 33 LEU C . 30681 1 275 . 1 . 1 32 32 LEU CA C 13 57.6660 0.0000 . 1 . . . . A 33 LEU CA . 30681 1 276 . 1 . 1 32 32 LEU CB C 13 41.7120 0.0000 . 1 . . . . A 33 LEU CB . 30681 1 277 . 1 . 1 32 32 LEU N N 15 120.4280 0.0000 . 1 . . . . A 33 LEU N . 30681 1 278 . 1 . 1 33 33 GLU H H 1 8.2920 0.0000 . 1 . . . . A 34 GLU H . 30681 1 279 . 1 . 1 33 33 GLU HA H 1 3.7570 0.0000 . 1 . . . . A 34 GLU HA . 30681 1 280 . 1 . 1 33 33 GLU HB2 H 1 2.1090 0.0000 . 2 . . . . A 34 GLU HB2 . 30681 1 281 . 1 . 1 33 33 GLU HG2 H 1 2.3300 0.0000 . 2 . . . . A 34 GLU HG2 . 30681 1 282 . 1 . 1 33 33 GLU C C 13 179.0000 0.0000 . 1 . . . . A 34 GLU C . 30681 1 283 . 1 . 1 33 33 GLU CA C 13 60.4690 0.0000 . 1 . . . . A 34 GLU CA . 30681 1 284 . 1 . 1 33 33 GLU CB C 13 29.7490 0.0000 . 1 . . . . A 34 GLU CB . 30681 1 285 . 1 . 1 33 33 GLU N N 15 117.9970 0.0000 . 1 . . . . A 34 GLU N . 30681 1 286 . 1 . 1 34 34 ARG H H 1 7.6610 0.0000 . 1 . . . . A 35 ARG H . 30681 1 287 . 1 . 1 34 34 ARG HA H 1 4.1060 0.0000 . 1 . . . . A 35 ARG HA . 30681 1 288 . 1 . 1 34 34 ARG HB2 H 1 1.9780 0.0000 . 2 . . . . A 35 ARG HB2 . 30681 1 289 . 1 . 1 34 34 ARG HG2 H 1 1.7890 0.0000 . 2 . . . . A 35 ARG HG2 . 30681 1 290 . 1 . 1 34 34 ARG HG3 H 1 1.6680 0.0000 . 2 . . . . A 35 ARG HG3 . 30681 1 291 . 1 . 1 34 34 ARG HD2 H 1 3.2420 0.0000 . 2 . . . . A 35 ARG HD2 . 30681 1 292 . 1 . 1 34 34 ARG C C 13 179.0770 0.0000 . 1 . . . . A 35 ARG C . 30681 1 293 . 1 . 1 34 34 ARG CA C 13 59.1470 0.0000 . 1 . . . . A 35 ARG CA . 30681 1 294 . 1 . 1 34 34 ARG CB C 13 29.9180 0.0000 . 1 . . . . A 35 ARG CB . 30681 1 295 . 1 . 1 34 34 ARG CG C 13 27.2750 0.0000 . 1 . . . . A 35 ARG CG . 30681 1 296 . 1 . 1 34 34 ARG CD C 13 43.4190 0.0000 . 1 . . . . A 35 ARG CD . 30681 1 297 . 1 . 1 34 34 ARG N N 15 118.3390 0.0000 . 1 . . . . A 35 ARG N . 30681 1 298 . 1 . 1 35 35 GLU H H 1 7.9380 0.0000 . 1 . . . . A 36 GLU H . 30681 1 299 . 1 . 1 35 35 GLU HA H 1 4.1220 0.0000 . 1 . . . . A 36 GLU HA . 30681 1 300 . 1 . 1 35 35 GLU HB2 H 1 2.1290 0.0000 . 2 . . . . A 36 GLU HB2 . 30681 1 301 . 1 . 1 35 35 GLU HB3 H 1 1.9710 0.0000 . 2 . . . . A 36 GLU HB3 . 30681 1 302 . 1 . 1 35 35 GLU HG2 H 1 2.3640 0.0000 . 2 . . . . A 36 GLU HG2 . 30681 1 303 . 1 . 1 35 35 GLU C C 13 178.2010 0.0000 . 1 . . . . A 36 GLU C . 30681 1 304 . 1 . 1 35 35 GLU CA C 13 58.3230 0.0000 . 1 . . . . A 36 GLU CA . 30681 1 305 . 1 . 1 35 35 GLU CB C 13 29.5560 0.0000 . 1 . . . . A 36 GLU CB . 30681 1 306 . 1 . 1 35 35 GLU N N 15 118.7560 0.0000 . 1 . . . . A 36 GLU N . 30681 1 307 . 1 . 1 36 36 LEU H H 1 7.7780 0.0000 . 1 . . . . A 37 LEU H . 30681 1 308 . 1 . 1 36 36 LEU HA H 1 4.2920 0.0000 . 1 . . . . A 37 LEU HA . 30681 1 309 . 1 . 1 36 36 LEU HB2 H 1 1.6020 0.0000 . 2 . . . . A 37 LEU HB2 . 30681 1 310 . 1 . 1 36 36 LEU HB3 H 1 1.6020 0.0000 . 2 . . . . A 37 LEU HB3 . 30681 1 311 . 1 . 1 36 36 LEU HD11 H 1 0.8670 0.0000 . 2 . . . . A 37 LEU HD11 . 30681 1 312 . 1 . 1 36 36 LEU HD12 H 1 0.8670 0.0000 . 2 . . . . A 37 LEU HD12 . 30681 1 313 . 1 . 1 36 36 LEU HD13 H 1 0.8670 0.0000 . 2 . . . . A 37 LEU HD13 . 30681 1 314 . 1 . 1 36 36 LEU C C 13 177.8600 0.0000 . 1 . . . . A 37 LEU C . 30681 1 315 . 1 . 1 36 36 LEU CA C 13 55.6480 0.0000 . 1 . . . . A 37 LEU CA . 30681 1 316 . 1 . 1 36 36 LEU CB C 13 42.0490 0.0000 . 1 . . . . A 37 LEU CB . 30681 1 317 . 1 . 1 36 36 LEU N N 15 117.1650 0.0000 . 1 . . . . A 37 LEU N . 30681 1 318 . 1 . 1 37 37 GLU H H 1 7.5550 0.0000 . 1 . . . . A 38 GLU H . 30681 1 319 . 1 . 1 37 37 GLU HA H 1 4.1480 0.0000 . 1 . . . . A 38 GLU HA . 30681 1 320 . 1 . 1 37 37 GLU HB2 H 1 2.1130 0.0000 . 2 . . . . A 38 GLU HB2 . 30681 1 321 . 1 . 1 37 37 GLU HB3 H 1 2.1130 0.0000 . 2 . . . . A 38 GLU HB3 . 30681 1 322 . 1 . 1 37 37 GLU HG2 H 1 2.3730 0.0000 . 2 . . . . A 38 GLU HG2 . 30681 1 323 . 1 . 1 37 37 GLU C C 13 176.5780 0.0000 . 1 . . . . A 38 GLU C . 30681 1 324 . 1 . 1 37 37 GLU CA C 13 57.9540 0.0000 . 1 . . . . A 38 GLU CA . 30681 1 325 . 1 . 1 37 37 GLU CB C 13 30.1200 0.0000 . 1 . . . . A 38 GLU CB . 30681 1 326 . 1 . 1 37 37 GLU N N 15 119.2740 0.0000 . 1 . . . . A 38 GLU N . 30681 1 327 . 1 . 1 38 38 ASP H H 1 8.0910 0.0000 . 1 . . . . A 39 ASP H . 30681 1 328 . 1 . 1 38 38 ASP HA H 1 4.6260 0.0000 . 1 . . . . A 39 ASP HA . 30681 1 329 . 1 . 1 38 38 ASP HB2 H 1 2.7080 0.0000 . 2 . . . . A 39 ASP HB2 . 30681 1 330 . 1 . 1 38 38 ASP HB3 H 1 2.7150 0.0000 . 2 . . . . A 39 ASP HB3 . 30681 1 331 . 1 . 1 38 38 ASP C C 13 175.9190 0.0000 . 1 . . . . A 39 ASP C . 30681 1 332 . 1 . 1 38 38 ASP CA C 13 54.6920 0.0000 . 1 . . . . A 39 ASP CA . 30681 1 333 . 1 . 1 38 38 ASP CB C 13 40.8130 0.0000 . 1 . . . . A 39 ASP CB . 30681 1 334 . 1 . 1 38 38 ASP N N 15 118.3300 0.0000 . 1 . . . . A 39 ASP N . 30681 1 335 . 1 . 1 39 39 ILE H H 1 7.7410 0.0000 . 1 . . . . A 40 ILE H . 30681 1 336 . 1 . 1 39 39 ILE HA H 1 4.1980 0.0000 . 1 . . . . A 40 ILE HA . 30681 1 337 . 1 . 1 39 39 ILE HB H 1 1.9740 0.0000 . 1 . . . . A 40 ILE HB . 30681 1 338 . 1 . 1 39 39 ILE HG12 H 1 1.5020 0.0000 . 2 . . . . A 40 ILE HG12 . 30681 1 339 . 1 . 1 39 39 ILE HG13 H 1 1.2510 0.0000 . 2 . . . . A 40 ILE HG13 . 30681 1 340 . 1 . 1 39 39 ILE HG21 H 1 0.9370 0.0000 . 1 . . . . A 40 ILE HG21 . 30681 1 341 . 1 . 1 39 39 ILE HG22 H 1 0.9370 0.0000 . 1 . . . . A 40 ILE HG22 . 30681 1 342 . 1 . 1 39 39 ILE HG23 H 1 0.9370 0.0000 . 1 . . . . A 40 ILE HG23 . 30681 1 343 . 1 . 1 39 39 ILE HD11 H 1 0.8560 0.0000 . 1 . . . . A 40 ILE HD11 . 30681 1 344 . 1 . 1 39 39 ILE HD12 H 1 0.8560 0.0000 . 1 . . . . A 40 ILE HD12 . 30681 1 345 . 1 . 1 39 39 ILE HD13 H 1 0.8560 0.0000 . 1 . . . . A 40 ILE HD13 . 30681 1 346 . 1 . 1 39 39 ILE C C 13 174.9750 0.0000 . 1 . . . . A 40 ILE C . 30681 1 347 . 1 . 1 39 39 ILE CA C 13 61.3330 0.0000 . 1 . . . . A 40 ILE CA . 30681 1 348 . 1 . 1 39 39 ILE CB C 13 38.5250 0.0000 . 1 . . . . A 40 ILE CB . 30681 1 349 . 1 . 1 39 39 ILE CG1 C 13 27.2970 0.0000 . 1 . . . . A 40 ILE CG1 . 30681 1 350 . 1 . 1 39 39 ILE CG2 C 13 17.8220 0.0000 . 1 . . . . A 40 ILE CG2 . 30681 1 351 . 1 . 1 39 39 ILE CD1 C 13 13.3880 0.0000 . 1 . . . . A 40 ILE CD1 . 30681 1 352 . 1 . 1 39 39 ILE N N 15 119.9680 0.0000 . 1 . . . . A 40 ILE N . 30681 1 353 . 1 . 1 40 40 GLU H H 1 7.8850 0.0000 . 1 . . . . A 41 GLU H . 30681 1 354 . 1 . 1 40 40 GLU HA H 1 4.1020 0.0000 . 1 . . . . A 41 GLU HA . 30681 1 355 . 1 . 1 40 40 GLU HB2 H 1 2.0260 0.0000 . 2 . . . . A 41 GLU HB2 . 30681 1 356 . 1 . 1 40 40 GLU HB3 H 1 1.9060 0.0000 . 2 . . . . A 41 GLU HB3 . 30681 1 357 . 1 . 1 40 40 GLU HG2 H 1 2.2190 0.0000 . 2 . . . . A 41 GLU HG2 . 30681 1 358 . 1 . 1 40 40 GLU CA C 13 58.3640 0.0000 . 1 . . . . A 41 GLU CA . 30681 1 359 . 1 . 1 40 40 GLU CB C 13 31.3560 0.0000 . 1 . . . . A 41 GLU CB . 30681 1 360 . 1 . 1 40 40 GLU CG C 13 36.6210 0.0000 . 1 . . . . A 41 GLU CG . 30681 1 361 . 1 . 1 40 40 GLU N N 15 129.5220 0.0000 . 1 . . . . A 41 GLU N . 30681 1 362 . 2 . 2 2 2 MET HA H 1 4.1130 0.0000 . 1 . . . . B 1 MET HA . 30681 1 363 . 2 . 2 2 2 MET HB2 H 1 2.1100 0.0000 . 2 . . . . B 1 MET HB2 . 30681 1 364 . 2 . 2 2 2 MET HG2 H 1 2.5390 0.0000 . 2 . . . . B 1 MET HG2 . 30681 1 365 . 2 . 2 2 2 MET C C 13 176.7840 0.0000 . 1 . . . . B 1 MET C . 30681 1 366 . 2 . 2 2 2 MET CA C 13 58.5760 0.0000 . 1 . . . . B 1 MET CA . 30681 1 367 . 2 . 2 2 2 MET CB C 13 32.7600 0.0000 . 1 . . . . B 1 MET CB . 30681 1 368 . 2 . 2 2 2 MET CG C 13 32.0310 0.0000 . 1 . . . . B 1 MET CG . 30681 1 369 . 2 . 2 3 3 ASP H H 1 8.6420 0.0000 . 1 . . . . B 2 ASP H . 30681 1 370 . 2 . 2 3 3 ASP HA H 1 4.2780 0.0000 . 1 . . . . B 2 ASP HA . 30681 1 371 . 2 . 2 3 3 ASP HB2 H 1 2.6590 0.0000 . 2 . . . . B 2 ASP HB2 . 30681 1 372 . 2 . 2 3 3 ASP C C 13 177.8780 0.0000 . 1 . . . . B 2 ASP C . 30681 1 373 . 2 . 2 3 3 ASP CA C 13 57.6720 0.0000 . 1 . . . . B 2 ASP CA . 30681 1 374 . 2 . 2 3 3 ASP CB C 13 40.4260 0.0000 . 1 . . . . B 2 ASP CB . 30681 1 375 . 2 . 2 3 3 ASP N N 15 118.4230 0.0000 . 1 . . . . B 2 ASP N . 30681 1 376 . 2 . 2 4 4 ALA H H 1 7.9610 0.0000 . 1 . . . . B 3 ALA H . 30681 1 377 . 2 . 2 4 4 ALA HA H 1 4.1100 0.0000 . 1 . . . . B 3 ALA HA . 30681 1 378 . 2 . 2 4 4 ALA HB1 H 1 1.4930 0.0000 . 1 . . . . B 3 ALA HB1 . 30681 1 379 . 2 . 2 4 4 ALA HB2 H 1 1.4930 0.0000 . 1 . . . . B 3 ALA HB2 . 30681 1 380 . 2 . 2 4 4 ALA HB3 H 1 1.4930 0.0000 . 1 . . . . B 3 ALA HB3 . 30681 1 381 . 2 . 2 4 4 ALA C C 13 180.5520 0.0000 . 1 . . . . B 3 ALA C . 30681 1 382 . 2 . 2 4 4 ALA CA C 13 55.2240 0.0000 . 1 . . . . B 3 ALA CA . 30681 1 383 . 2 . 2 4 4 ALA CB C 13 18.5030 0.0000 . 1 . . . . B 3 ALA CB . 30681 1 384 . 2 . 2 4 4 ALA N N 15 121.7940 0.0000 . 1 . . . . B 3 ALA N . 30681 1 385 . 2 . 2 5 5 ILE H H 1 7.6400 0.0000 . 1 . . . . B 4 ILE H . 30681 1 386 . 2 . 2 5 5 ILE HA H 1 3.6750 0.0000 . 1 . . . . B 4 ILE HA . 30681 1 387 . 2 . 2 5 5 ILE HB H 1 1.9400 0.0000 . 1 . . . . B 4 ILE HB . 30681 1 388 . 2 . 2 5 5 ILE HG12 H 1 1.6800 0.0000 . 2 . . . . B 4 ILE HG12 . 30681 1 389 . 2 . 2 5 5 ILE HG13 H 1 1.0510 0.0000 . 2 . . . . B 4 ILE HG13 . 30681 1 390 . 2 . 2 5 5 ILE HG21 H 1 0.8620 0.0000 . 1 . . . . B 4 ILE HG21 . 30681 1 391 . 2 . 2 5 5 ILE HG22 H 1 0.8620 0.0000 . 1 . . . . B 4 ILE HG22 . 30681 1 392 . 2 . 2 5 5 ILE HG23 H 1 0.8620 0.0000 . 1 . . . . B 4 ILE HG23 . 30681 1 393 . 2 . 2 5 5 ILE HD11 H 1 0.8370 0.0000 . 1 . . . . B 4 ILE HD11 . 30681 1 394 . 2 . 2 5 5 ILE HD12 H 1 0.8370 0.0000 . 1 . . . . B 4 ILE HD12 . 30681 1 395 . 2 . 2 5 5 ILE HD13 H 1 0.8370 0.0000 . 1 . . . . B 4 ILE HD13 . 30681 1 396 . 2 . 2 5 5 ILE C C 13 177.3890 0.0000 . 1 . . . . B 4 ILE C . 30681 1 397 . 2 . 2 5 5 ILE CA C 13 64.2670 0.0000 . 1 . . . . B 4 ILE CA . 30681 1 398 . 2 . 2 5 5 ILE CB C 13 37.7110 0.0000 . 1 . . . . B 4 ILE CB . 30681 1 399 . 2 . 2 5 5 ILE CG2 C 13 18.2320 0.0000 . 1 . . . . B 4 ILE CG2 . 30681 1 400 . 2 . 2 5 5 ILE CD1 C 13 13.7780 0.0000 . 1 . . . . B 4 ILE CD1 . 30681 1 401 . 2 . 2 5 5 ILE N N 15 118.2450 0.0000 . 1 . . . . B 4 ILE N . 30681 1 402 . 2 . 2 6 6 LYS H H 1 8.2370 0.0000 . 1 . . . . B 5 LYS H . 30681 1 403 . 2 . 2 6 6 LYS HA H 1 3.8130 0.0000 . 1 . . . . B 5 LYS HA . 30681 1 404 . 2 . 2 6 6 LYS HB2 H 1 1.9120 0.0000 . 2 . . . . B 5 LYS HB2 . 30681 1 405 . 2 . 2 6 6 LYS HD2 H 1 1.6600 0.0000 . 2 . . . . B 5 LYS HD2 . 30681 1 406 . 2 . 2 6 6 LYS HE2 H 1 2.9040 0.0000 . 2 . . . . B 5 LYS HE2 . 30681 1 407 . 2 . 2 6 6 LYS C C 13 178.9050 0.0000 . 1 . . . . B 5 LYS C . 30681 1 408 . 2 . 2 6 6 LYS CA C 13 60.5080 0.0000 . 1 . . . . B 5 LYS CA . 30681 1 409 . 2 . 2 6 6 LYS CB C 13 32.3600 0.0000 . 1 . . . . B 5 LYS CB . 30681 1 410 . 2 . 2 6 6 LYS CD C 13 29.5900 0.0000 . 1 . . . . B 5 LYS CD . 30681 1 411 . 2 . 2 6 6 LYS N N 15 120.1570 0.0000 . 1 . . . . B 5 LYS N . 30681 1 412 . 2 . 2 7 7 LYS H H 1 8.0850 0.0000 . 1 . . . . B 6 LYS H . 30681 1 413 . 2 . 2 7 7 LYS HA H 1 4.0930 0.0000 . 1 . . . . B 6 LYS HA . 30681 1 414 . 2 . 2 7 7 LYS HB2 H 1 1.8780 0.0000 . 2 . . . . B 6 LYS HB2 . 30681 1 415 . 2 . 2 7 7 LYS C C 13 178.8540 0.0000 . 1 . . . . B 6 LYS C . 30681 1 416 . 2 . 2 7 7 LYS CA C 13 59.3920 0.0000 . 1 . . . . B 6 LYS CA . 30681 1 417 . 2 . 2 7 7 LYS CB C 13 32.3500 0.0000 . 1 . . . . B 6 LYS CB . 30681 1 418 . 2 . 2 7 7 LYS N N 15 118.3720 0.0000 . 1 . . . . B 6 LYS N . 30681 1 419 . 2 . 2 8 8 LYS H H 1 7.8060 0.0000 . 1 . . . . B 7 LYS H . 30681 1 420 . 2 . 2 8 8 LYS C C 13 178.9930 0.0000 . 1 . . . . B 7 LYS C . 30681 1 421 . 2 . 2 8 8 LYS CA C 13 59.6240 0.0000 . 1 . . . . B 7 LYS CA . 30681 1 422 . 2 . 2 8 8 LYS CB C 13 32.7980 0.0000 . 1 . . . . B 7 LYS CB . 30681 1 423 . 2 . 2 8 8 LYS N N 15 119.5010 0.0000 . 1 . . . . B 7 LYS N . 30681 1 424 . 2 . 2 9 9 MET H H 1 8.3190 0.0000 . 1 . . . . B 8 MET H . 30681 1 425 . 2 . 2 9 9 MET HA H 1 4.0810 0.0000 . 1 . . . . B 8 MET HA . 30681 1 426 . 2 . 2 9 9 MET HB2 H 1 1.9870 0.0000 . 2 . . . . B 8 MET HB2 . 30681 1 427 . 2 . 2 9 9 MET HG2 H 1 2.7350 0.0000 . 2 . . . . B 8 MET HG2 . 30681 1 428 . 2 . 2 9 9 MET HG3 H 1 2.5250 0.0000 . 2 . . . . B 8 MET HG3 . 30681 1 429 . 2 . 2 9 9 MET C C 13 178.0720 0.0000 . 1 . . . . B 8 MET C . 30681 1 430 . 2 . 2 9 9 MET CA C 13 59.4290 0.0000 . 1 . . . . B 8 MET CA . 30681 1 431 . 2 . 2 9 9 MET CB C 13 33.0500 0.0000 . 1 . . . . B 8 MET CB . 30681 1 432 . 2 . 2 9 9 MET CG C 13 32.9350 0.0000 . 1 . . . . B 8 MET CG . 30681 1 433 . 2 . 2 9 9 MET N N 15 117.5460 0.0000 . 1 . . . . B 8 MET N . 30681 1 434 . 2 . 2 10 10 GLN H H 1 8.3700 0.0000 . 1 . . . . B 9 GLN H . 30681 1 435 . 2 . 2 10 10 GLN HA H 1 4.0400 0.0000 . 1 . . . . B 9 GLN HA . 30681 1 436 . 2 . 2 10 10 GLN HB2 H 1 2.2740 0.0000 . 2 . . . . B 9 GLN HB2 . 30681 1 437 . 2 . 2 10 10 GLN HB3 H 1 2.1100 0.0000 . 2 . . . . B 9 GLN HB3 . 30681 1 438 . 2 . 2 10 10 GLN HG2 H 1 2.5250 0.0000 . 2 . . . . B 9 GLN HG2 . 30681 1 439 . 2 . 2 10 10 GLN HG3 H 1 2.3630 0.0000 . 2 . . . . B 9 GLN HG3 . 30681 1 440 . 2 . 2 10 10 GLN HE21 H 1 7.4970 0.0000 . 2 . . . . B 9 GLN HE21 . 30681 1 441 . 2 . 2 10 10 GLN HE22 H 1 6.8520 0.0000 . 2 . . . . B 9 GLN HE22 . 30681 1 442 . 2 . 2 10 10 GLN C C 13 178.8010 0.0000 . 1 . . . . B 9 GLN C . 30681 1 443 . 2 . 2 10 10 GLN CA C 13 59.3580 0.0000 . 1 . . . . B 9 GLN CA . 30681 1 444 . 2 . 2 10 10 GLN CB C 13 28.3070 0.0000 . 1 . . . . B 9 GLN CB . 30681 1 445 . 2 . 2 10 10 GLN CG C 13 33.9880 0.0000 . 1 . . . . B 9 GLN CG . 30681 1 446 . 2 . 2 10 10 GLN N N 15 118.5100 0.0000 . 1 . . . . B 9 GLN N . 30681 1 447 . 2 . 2 10 10 GLN NE2 N 15 111.0180 0.0000 . 1 . . . . B 9 GLN NE2 . 30681 1 448 . 2 . 2 11 11 MET H H 1 8.3230 0.0000 . 1 . . . . B 10 MET H . 30681 1 449 . 2 . 2 11 11 MET HA H 1 4.1440 0.0000 . 1 . . . . B 10 MET HA . 30681 1 450 . 2 . 2 11 11 MET HB2 H 1 2.2390 0.0000 . 2 . . . . B 10 MET HB2 . 30681 1 451 . 2 . 2 11 11 MET HG2 H 1 2.7500 0.0000 . 2 . . . . B 10 MET HG2 . 30681 1 452 . 2 . 2 11 11 MET HG3 H 1 2.6260 0.0000 . 2 . . . . B 10 MET HG3 . 30681 1 453 . 2 . 2 11 11 MET C C 13 178.4740 0.0000 . 1 . . . . B 10 MET C . 30681 1 454 . 2 . 2 11 11 MET CA C 13 58.8080 0.0000 . 1 . . . . B 10 MET CA . 30681 1 455 . 2 . 2 11 11 MET CB C 13 32.3530 0.0000 . 1 . . . . B 10 MET CB . 30681 1 456 . 2 . 2 11 11 MET CG C 13 32.1370 0.0000 . 1 . . . . B 10 MET CG . 30681 1 457 . 2 . 2 11 11 MET N N 15 118.9070 0.0000 . 1 . . . . B 10 MET N . 30681 1 458 . 2 . 2 12 12 LEU H H 1 8.0520 0.0000 . 1 . . . . B 11 LEU H . 30681 1 459 . 2 . 2 12 12 LEU HA H 1 4.1500 0.0000 . 1 . . . . B 11 LEU HA . 30681 1 460 . 2 . 2 12 12 LEU CA C 13 58.4760 0.0000 . 1 . . . . B 11 LEU CA . 30681 1 461 . 2 . 2 12 12 LEU N N 15 120.2640 0.0000 . 1 . . . . B 11 LEU N . 30681 1 462 . 2 . 2 13 13 LYS C C 13 178.9050 0.0000 . 1 . . . . B 12 LYS C . 30681 1 463 . 2 . 2 13 13 LYS CA C 13 58.3240 0.0000 . 1 . . . . B 12 LYS CA . 30681 1 464 . 2 . 2 14 14 LEU H H 1 8.0220 0.0000 . 1 . . . . B 13 LEU H . 30681 1 465 . 2 . 2 14 14 LEU C C 13 179.1360 0.0000 . 1 . . . . B 13 LEU C . 30681 1 466 . 2 . 2 14 14 LEU CA C 13 60.1400 0.0000 . 1 . . . . B 13 LEU CA . 30681 1 467 . 2 . 2 14 14 LEU N N 15 118.4680 0.0000 . 1 . . . . B 13 LEU N . 30681 1 468 . 2 . 2 15 15 ASP H H 1 8.2620 0.0000 . 1 . . . . B 14 ASP H . 30681 1 469 . 2 . 2 15 15 ASP HA H 1 4.1500 0.0000 . 1 . . . . B 14 ASP HA . 30681 1 470 . 2 . 2 15 15 ASP C C 13 179.4100 0.0000 . 1 . . . . B 14 ASP C . 30681 1 471 . 2 . 2 15 15 ASP CA C 13 58.0290 0.0000 . 1 . . . . B 14 ASP CA . 30681 1 472 . 2 . 2 15 15 ASP CB C 13 41.8030 0.0000 . 1 . . . . B 14 ASP CB . 30681 1 473 . 2 . 2 15 15 ASP N N 15 121.3330 0.0000 . 1 . . . . B 14 ASP N . 30681 1 474 . 2 . 2 16 16 ASN H H 1 8.6340 0.0000 . 1 . . . . B 15 ASN H . 30681 1 475 . 2 . 2 16 16 ASN HA H 1 4.5790 0.0000 . 1 . . . . B 15 ASN HA . 30681 1 476 . 2 . 2 16 16 ASN HB2 H 1 2.8870 0.0000 . 2 . . . . B 15 ASN HB2 . 30681 1 477 . 2 . 2 16 16 ASN HB3 H 1 2.6080 0.0000 . 2 . . . . B 15 ASN HB3 . 30681 1 478 . 2 . 2 16 16 ASN C C 13 176.8880 0.0000 . 1 . . . . B 15 ASN C . 30681 1 479 . 2 . 2 16 16 ASN CA C 13 57.7180 0.0000 . 1 . . . . B 15 ASN CA . 30681 1 480 . 2 . 2 16 16 ASN CB C 13 38.8540 0.0000 . 1 . . . . B 15 ASN CB . 30681 1 481 . 2 . 2 16 16 ASN N N 15 120.9790 0.0000 . 1 . . . . B 15 ASN N . 30681 1 482 . 2 . 2 17 17 TYR H H 1 8.0080 0.0000 . 1 . . . . B 16 TYR H . 30681 1 483 . 2 . 2 17 17 TYR HA H 1 4.3720 0.0000 . 1 . . . . B 16 TYR HA . 30681 1 484 . 2 . 2 17 17 TYR HB2 H 1 3.2370 0.0000 . 2 . . . . B 16 TYR HB2 . 30681 1 485 . 2 . 2 17 17 TYR C C 13 178.1910 0.0000 . 1 . . . . B 16 TYR C . 30681 1 486 . 2 . 2 17 17 TYR CA C 13 60.8200 0.0000 . 1 . . . . B 16 TYR CA . 30681 1 487 . 2 . 2 17 17 TYR CB C 13 38.1480 0.0000 . 1 . . . . B 16 TYR CB . 30681 1 488 . 2 . 2 17 17 TYR N N 15 120.1800 0.0000 . 1 . . . . B 16 TYR N . 30681 1 489 . 2 . 2 18 18 HIS H H 1 8.4410 0.0000 . 1 . . . . B 17 HIS H . 30681 1 490 . 2 . 2 18 18 HIS HA H 1 4.3650 0.0000 . 1 . . . . B 17 HIS HA . 30681 1 491 . 2 . 2 18 18 HIS HB2 H 1 3.3120 0.0000 . 2 . . . . B 17 HIS HB2 . 30681 1 492 . 2 . 2 18 18 HIS C C 13 178.6780 0.0000 . 1 . . . . B 17 HIS C . 30681 1 493 . 2 . 2 18 18 HIS CA C 13 59.2030 0.0000 . 1 . . . . B 17 HIS CA . 30681 1 494 . 2 . 2 18 18 HIS CB C 13 29.1420 0.0000 . 1 . . . . B 17 HIS CB . 30681 1 495 . 2 . 2 18 18 HIS N N 15 118.5620 0.0000 . 1 . . . . B 17 HIS N . 30681 1 496 . 2 . 2 19 19 LEU H H 1 8.9590 0.0000 . 1 . . . . B 18 LEU H . 30681 1 497 . 2 . 2 19 19 LEU HA H 1 3.9410 0.0000 . 1 . . . . B 18 LEU HA . 30681 1 498 . 2 . 2 19 19 LEU C C 13 178.9080 0.0000 . 1 . . . . B 18 LEU C . 30681 1 499 . 2 . 2 19 19 LEU CA C 13 58.3950 0.0000 . 1 . . . . B 18 LEU CA . 30681 1 500 . 2 . 2 19 19 LEU CB C 13 43.6120 0.0000 . 1 . . . . B 18 LEU CB . 30681 1 501 . 2 . 2 19 19 LEU N N 15 121.5480 0.0000 . 1 . . . . B 18 LEU N . 30681 1 502 . 2 . 2 20 20 GLU H H 1 8.7910 0.0000 . 1 . . . . B 19 GLU H . 30681 1 503 . 2 . 2 20 20 GLU HA H 1 3.9220 0.0000 . 1 . . . . B 19 GLU HA . 30681 1 504 . 2 . 2 20 20 GLU HB2 H 1 2.2250 0.0000 . 2 . . . . B 19 GLU HB2 . 30681 1 505 . 2 . 2 20 20 GLU HB3 H 1 2.0160 0.0000 . 2 . . . . B 19 GLU HB3 . 30681 1 506 . 2 . 2 20 20 GLU HG2 H 1 2.4620 0.0000 . 2 . . . . B 19 GLU HG2 . 30681 1 507 . 2 . 2 20 20 GLU HG3 H 1 2.2660 0.0000 . 2 . . . . B 19 GLU HG3 . 30681 1 508 . 2 . 2 20 20 GLU C C 13 180.2470 0.0000 . 1 . . . . B 19 GLU C . 30681 1 509 . 2 . 2 20 20 GLU CA C 13 60.2000 0.0000 . 1 . . . . B 19 GLU CA . 30681 1 510 . 2 . 2 20 20 GLU CB C 13 29.3200 0.0000 . 1 . . . . B 19 GLU CB . 30681 1 511 . 2 . 2 20 20 GLU CG C 13 36.6320 0.0000 . 1 . . . . B 19 GLU CG . 30681 1 512 . 2 . 2 20 20 GLU N N 15 119.9430 0.0000 . 1 . . . . B 19 GLU N . 30681 1 513 . 2 . 2 21 21 ASN H H 1 7.7580 0.0000 . 1 . . . . B 20 ASN H . 30681 1 514 . 2 . 2 21 21 ASN HA H 1 4.3940 0.0000 . 1 . . . . B 20 ASN HA . 30681 1 515 . 2 . 2 21 21 ASN HB2 H 1 2.8600 0.0000 . 2 . . . . B 20 ASN HB2 . 30681 1 516 . 2 . 2 21 21 ASN HB3 H 1 2.7200 0.0000 . 2 . . . . B 20 ASN HB3 . 30681 1 517 . 2 . 2 21 21 ASN HD21 H 1 7.3980 0.0000 . 2 . . . . B 20 ASN HD21 . 30681 1 518 . 2 . 2 21 21 ASN HD22 H 1 5.7710 0.0000 . 2 . . . . B 20 ASN HD22 . 30681 1 519 . 2 . 2 21 21 ASN C C 13 178.0000 0.0000 . 1 . . . . B 20 ASN C . 30681 1 520 . 2 . 2 21 21 ASN CA C 13 56.1550 0.0000 . 1 . . . . B 20 ASN CA . 30681 1 521 . 2 . 2 21 21 ASN CB C 13 38.0250 0.0000 . 1 . . . . B 20 ASN CB . 30681 1 522 . 2 . 2 21 21 ASN N N 15 118.5870 0.0000 . 1 . . . . B 20 ASN N . 30681 1 523 . 2 . 2 21 21 ASN ND2 N 15 111.3790 0.0000 . 1 . . . . B 20 ASN ND2 . 30681 1 524 . 2 . 2 22 22 GLU H H 1 8.2060 0.0000 . 1 . . . . B 21 GLU H . 30681 1 525 . 2 . 2 22 22 GLU HA H 1 4.4470 0.0000 . 1 . . . . B 21 GLU HA . 30681 1 526 . 2 . 2 22 22 GLU HB2 H 1 1.9800 0.0000 . 2 . . . . B 21 GLU HB2 . 30681 1 527 . 2 . 2 22 22 GLU HG2 H 1 2.1600 0.0000 . 2 . . . . B 21 GLU HG2 . 30681 1 528 . 2 . 2 22 22 GLU C C 13 178.4110 0.0000 . 1 . . . . B 21 GLU C . 30681 1 529 . 2 . 2 22 22 GLU CA C 13 58.7080 0.0000 . 1 . . . . B 21 GLU CA . 30681 1 530 . 2 . 2 22 22 GLU CB C 13 30.0580 0.0000 . 1 . . . . B 21 GLU CB . 30681 1 531 . 2 . 2 22 22 GLU CG C 13 35.8020 0.0000 . 1 . . . . B 21 GLU CG . 30681 1 532 . 2 . 2 22 22 GLU N N 15 124.0340 0.0000 . 1 . . . . B 21 GLU N . 30681 1 533 . 2 . 2 23 23 VAL H H 1 8.7250 0.0000 . 1 . . . . B 22 VAL H . 30681 1 534 . 2 . 2 23 23 VAL HA H 1 3.3850 0.0000 . 1 . . . . B 22 VAL HA . 30681 1 535 . 2 . 2 23 23 VAL HB H 1 2.1330 0.0000 . 1 . . . . B 22 VAL HB . 30681 1 536 . 2 . 2 23 23 VAL HG11 H 1 1.0330 0.0000 . 2 . . . . B 22 VAL HG11 . 30681 1 537 . 2 . 2 23 23 VAL HG12 H 1 1.0330 0.0000 . 2 . . . . B 22 VAL HG12 . 30681 1 538 . 2 . 2 23 23 VAL HG13 H 1 1.0330 0.0000 . 2 . . . . B 22 VAL HG13 . 30681 1 539 . 2 . 2 23 23 VAL HG21 H 1 0.8730 0.0000 . 2 . . . . B 22 VAL HG21 . 30681 1 540 . 2 . 2 23 23 VAL HG22 H 1 0.8730 0.0000 . 2 . . . . B 22 VAL HG22 . 30681 1 541 . 2 . 2 23 23 VAL HG23 H 1 0.8730 0.0000 . 2 . . . . B 22 VAL HG23 . 30681 1 542 . 2 . 2 23 23 VAL C C 13 177.5470 0.0000 . 1 . . . . B 22 VAL C . 30681 1 543 . 2 . 2 23 23 VAL CA C 13 67.6890 0.0000 . 1 . . . . B 22 VAL CA . 30681 1 544 . 2 . 2 23 23 VAL CB C 13 31.6340 0.0000 . 1 . . . . B 22 VAL CB . 30681 1 545 . 2 . 2 23 23 VAL CG1 C 13 25.4900 0.0000 . 2 . . . . B 22 VAL CG1 . 30681 1 546 . 2 . 2 23 23 VAL CG2 C 13 21.4910 0.0000 . 2 . . . . B 22 VAL CG2 . 30681 1 547 . 2 . 2 23 23 VAL N N 15 120.3100 0.0000 . 1 . . . . B 22 VAL N . 30681 1 548 . 2 . 2 24 24 ALA H H 1 7.7580 0.0000 . 1 . . . . B 23 ALA H . 30681 1 549 . 2 . 2 24 24 ALA HA H 1 4.0030 0.0000 . 1 . . . . B 23 ALA HA . 30681 1 550 . 2 . 2 24 24 ALA HB1 H 1 1.4990 0.0000 . 1 . . . . B 23 ALA HB1 . 30681 1 551 . 2 . 2 24 24 ALA HB2 H 1 1.4990 0.0000 . 1 . . . . B 23 ALA HB2 . 30681 1 552 . 2 . 2 24 24 ALA HB3 H 1 1.4990 0.0000 . 1 . . . . B 23 ALA HB3 . 30681 1 553 . 2 . 2 24 24 ALA C C 13 180.5240 0.0000 . 1 . . . . B 23 ALA C . 30681 1 554 . 2 . 2 24 24 ALA CA C 13 55.5440 0.0000 . 1 . . . . B 23 ALA CA . 30681 1 555 . 2 . 2 24 24 ALA CB C 13 18.0220 0.0000 . 1 . . . . B 23 ALA CB . 30681 1 556 . 2 . 2 24 24 ALA N N 15 119.9320 0.0000 . 1 . . . . B 23 ALA N . 30681 1 557 . 2 . 2 25 25 ARG H H 1 7.9860 0.0000 . 1 . . . . B 24 ARG H . 30681 1 558 . 2 . 2 25 25 ARG HD2 H 1 2.9930 0.0000 . 2 . . . . B 24 ARG HD2 . 30681 1 559 . 2 . 2 25 25 ARG C C 13 179.5460 0.0000 . 1 . . . . B 24 ARG C . 30681 1 560 . 2 . 2 25 25 ARG CA C 13 59.4780 0.0000 . 1 . . . . B 24 ARG CA . 30681 1 561 . 2 . 2 25 25 ARG CB C 13 30.8370 0.0000 . 1 . . . . B 24 ARG CB . 30681 1 562 . 2 . 2 25 25 ARG N N 15 119.6390 0.0000 . 1 . . . . B 24 ARG N . 30681 1 563 . 2 . 2 26 26 LEU H H 1 8.4860 0.0000 . 1 . . . . B 25 LEU H . 30681 1 564 . 2 . 2 26 26 LEU HA H 1 3.9810 0.0000 . 1 . . . . B 25 LEU HA . 30681 1 565 . 2 . 2 26 26 LEU HB2 H 1 1.2980 0.0000 . 2 . . . . B 25 LEU HB2 . 30681 1 566 . 2 . 2 26 26 LEU HD11 H 1 0.9450 0.0000 . 2 . . . . B 25 LEU HD11 . 30681 1 567 . 2 . 2 26 26 LEU HD12 H 1 0.9450 0.0000 . 2 . . . . B 25 LEU HD12 . 30681 1 568 . 2 . 2 26 26 LEU HD13 H 1 0.9450 0.0000 . 2 . . . . B 25 LEU HD13 . 30681 1 569 . 2 . 2 26 26 LEU HD21 H 1 0.8260 0.0000 . 2 . . . . B 25 LEU HD21 . 30681 1 570 . 2 . 2 26 26 LEU HD22 H 1 0.8260 0.0000 . 2 . . . . B 25 LEU HD22 . 30681 1 571 . 2 . 2 26 26 LEU HD23 H 1 0.8260 0.0000 . 2 . . . . B 25 LEU HD23 . 30681 1 572 . 2 . 2 26 26 LEU C C 13 179.2450 0.0000 . 1 . . . . B 25 LEU C . 30681 1 573 . 2 . 2 26 26 LEU CA C 13 58.2170 0.0000 . 1 . . . . B 25 LEU CA . 30681 1 574 . 2 . 2 26 26 LEU CB C 13 43.8280 0.0000 . 1 . . . . B 25 LEU CB . 30681 1 575 . 2 . 2 26 26 LEU N N 15 120.4250 0.0000 . 1 . . . . B 25 LEU N . 30681 1 576 . 2 . 2 27 27 LYS H H 1 9.0280 0.0000 . 1 . . . . B 26 LYS H . 30681 1 577 . 2 . 2 27 27 LYS HA H 1 3.8300 0.0000 . 1 . . . . B 26 LYS HA . 30681 1 578 . 2 . 2 27 27 LYS HB2 H 1 1.8340 0.0000 . 2 . . . . B 26 LYS HB2 . 30681 1 579 . 2 . 2 27 27 LYS HG2 H 1 1.3100 0.0000 . 2 . . . . B 26 LYS HG2 . 30681 1 580 . 2 . 2 27 27 LYS HE2 H 1 2.8090 0.0000 . 2 . . . . B 26 LYS HE2 . 30681 1 581 . 2 . 2 27 27 LYS C C 13 179.6770 0.0000 . 1 . . . . B 26 LYS C . 30681 1 582 . 2 . 2 27 27 LYS CA C 13 60.8040 0.0000 . 1 . . . . B 26 LYS CA . 30681 1 583 . 2 . 2 27 27 LYS CB C 13 32.5200 0.0000 . 1 . . . . B 26 LYS CB . 30681 1 584 . 2 . 2 27 27 LYS CE C 13 41.9350 0.0000 . 1 . . . . B 26 LYS CE . 30681 1 585 . 2 . 2 27 27 LYS N N 15 118.7110 0.0000 . 1 . . . . B 26 LYS N . 30681 1 586 . 2 . 2 28 28 LYS H H 1 7.3780 0.0000 . 1 . . . . B 27 LYS H . 30681 1 587 . 2 . 2 28 28 LYS HA H 1 4.1130 0.0000 . 1 . . . . B 27 LYS HA . 30681 1 588 . 2 . 2 28 28 LYS HB2 H 1 1.8970 0.0000 . 2 . . . . B 27 LYS HB2 . 30681 1 589 . 2 . 2 28 28 LYS HG2 H 1 1.4570 0.0000 . 2 . . . . B 27 LYS HG2 . 30681 1 590 . 2 . 2 28 28 LYS HD2 H 1 1.6900 0.0000 . 2 . . . . B 27 LYS HD2 . 30681 1 591 . 2 . 2 28 28 LYS HE2 H 1 2.9920 0.0000 . 2 . . . . B 27 LYS HE2 . 30681 1 592 . 2 . 2 28 28 LYS C C 13 179.0410 0.0000 . 1 . . . . B 27 LYS C . 30681 1 593 . 2 . 2 28 28 LYS CA C 13 58.8930 0.0000 . 1 . . . . B 27 LYS CA . 30681 1 594 . 2 . 2 28 28 LYS CB C 13 32.3250 0.0000 . 1 . . . . B 27 LYS CB . 30681 1 595 . 2 . 2 28 28 LYS CG C 13 25.2120 0.0000 . 1 . . . . B 27 LYS CG . 30681 1 596 . 2 . 2 28 28 LYS CD C 13 29.1480 0.0000 . 1 . . . . B 27 LYS CD . 30681 1 597 . 2 . 2 28 28 LYS CE C 13 42.1800 0.0000 . 1 . . . . B 27 LYS CE . 30681 1 598 . 2 . 2 28 28 LYS N N 15 117.6000 0.0000 . 1 . . . . B 27 LYS N . 30681 1 599 . 2 . 2 29 29 LEU H H 1 7.4720 0.0000 . 1 . . . . B 28 LEU H . 30681 1 600 . 2 . 2 29 29 LEU HA H 1 4.1960 0.0000 . 1 . . . . B 28 LEU HA . 30681 1 601 . 2 . 2 29 29 LEU HB2 H 1 2.0510 0.0000 . 2 . . . . B 28 LEU HB2 . 30681 1 602 . 2 . 2 29 29 LEU HB3 H 1 1.6200 0.0000 . 2 . . . . B 28 LEU HB3 . 30681 1 603 . 2 . 2 29 29 LEU HG H 1 1.8300 0.0000 . 1 . . . . B 28 LEU HG . 30681 1 604 . 2 . 2 29 29 LEU HD11 H 1 0.9600 0.0000 . 2 . . . . B 28 LEU HD11 . 30681 1 605 . 2 . 2 29 29 LEU HD12 H 1 0.9600 0.0000 . 2 . . . . B 28 LEU HD12 . 30681 1 606 . 2 . 2 29 29 LEU HD13 H 1 0.9600 0.0000 . 2 . . . . B 28 LEU HD13 . 30681 1 607 . 2 . 2 29 29 LEU HD21 H 1 0.9100 0.0000 . 2 . . . . B 28 LEU HD21 . 30681 1 608 . 2 . 2 29 29 LEU HD22 H 1 0.9100 0.0000 . 2 . . . . B 28 LEU HD22 . 30681 1 609 . 2 . 2 29 29 LEU HD23 H 1 0.9100 0.0000 . 2 . . . . B 28 LEU HD23 . 30681 1 610 . 2 . 2 29 29 LEU C C 13 179.2190 0.0000 . 1 . . . . B 28 LEU C . 30681 1 611 . 2 . 2 29 29 LEU CA C 13 57.4350 0.0000 . 1 . . . . B 28 LEU CA . 30681 1 612 . 2 . 2 29 29 LEU CB C 13 42.7010 0.0000 . 1 . . . . B 28 LEU CB . 30681 1 613 . 2 . 2 29 29 LEU CG C 13 26.7750 0.0000 . 1 . . . . B 28 LEU CG . 30681 1 614 . 2 . 2 29 29 LEU CD1 C 13 25.4200 0.0000 . 2 . . . . B 28 LEU CD1 . 30681 1 615 . 2 . 2 29 29 LEU CD2 C 13 25.2110 0.0000 . 2 . . . . B 28 LEU CD2 . 30681 1 616 . 2 . 2 29 29 LEU N N 15 118.9050 0.0000 . 1 . . . . B 28 LEU N . 30681 1 617 . 2 . 2 30 30 VAL H H 1 7.7800 0.0000 . 1 . . . . B 29 VAL H . 30681 1 618 . 2 . 2 30 30 VAL HA H 1 4.0800 0.0000 . 1 . . . . B 29 VAL HA . 30681 1 619 . 2 . 2 30 30 VAL HB H 1 2.2320 0.0000 . 1 . . . . B 29 VAL HB . 30681 1 620 . 2 . 2 30 30 VAL HG11 H 1 1.0080 0.0000 . 2 . . . . B 29 VAL HG11 . 30681 1 621 . 2 . 2 30 30 VAL HG12 H 1 1.0080 0.0000 . 2 . . . . B 29 VAL HG12 . 30681 1 622 . 2 . 2 30 30 VAL HG13 H 1 1.0080 0.0000 . 2 . . . . B 29 VAL HG13 . 30681 1 623 . 2 . 2 30 30 VAL HG21 H 1 0.9490 0.0000 . 2 . . . . B 29 VAL HG21 . 30681 1 624 . 2 . 2 30 30 VAL HG22 H 1 0.9490 0.0000 . 2 . . . . B 29 VAL HG22 . 30681 1 625 . 2 . 2 30 30 VAL HG23 H 1 0.9490 0.0000 . 2 . . . . B 29 VAL HG23 . 30681 1 626 . 2 . 2 30 30 VAL C C 13 176.8170 0.0000 . 1 . . . . B 29 VAL C . 30681 1 627 . 2 . 2 30 30 VAL CA C 13 63.1000 0.0000 . 1 . . . . B 29 VAL CA . 30681 1 628 . 2 . 2 30 30 VAL CB C 13 32.4850 0.0000 . 1 . . . . B 29 VAL CB . 30681 1 629 . 2 . 2 30 30 VAL CG1 C 13 21.8750 0.0000 . 2 . . . . B 29 VAL CG1 . 30681 1 630 . 2 . 2 30 30 VAL CG2 C 13 21.7070 0.0000 . 2 . . . . B 29 VAL CG2 . 30681 1 631 . 2 . 2 30 30 VAL N N 15 113.7770 0.0000 . 1 . . . . B 29 VAL N . 30681 1 632 . 2 . 2 31 31 GLY H H 1 7.8550 0.0000 . 1 . . . . B 30 GLY H . 30681 1 633 . 2 . 2 31 31 GLY HA2 H 1 4.0920 0.0000 . 2 . . . . B 30 GLY HA2 . 30681 1 634 . 2 . 2 31 31 GLY HA3 H 1 3.8850 0.0000 . 2 . . . . B 30 GLY HA3 . 30681 1 635 . 2 . 2 31 31 GLY C C 13 174.7170 0.0000 . 1 . . . . B 30 GLY C . 30681 1 636 . 2 . 2 31 31 GLY CA C 13 45.9000 0.0000 . 1 . . . . B 30 GLY CA . 30681 1 637 . 2 . 2 31 31 GLY N N 15 109.0680 0.0000 . 1 . . . . B 30 GLY N . 30681 1 638 . 2 . 2 32 32 GLU H H 1 7.9730 0.0000 . 1 . . . . B 31 GLU H . 30681 1 639 . 2 . 2 32 32 GLU HA H 1 4.3560 0.0000 . 1 . . . . B 31 GLU HA . 30681 1 640 . 2 . 2 32 32 GLU HB2 H 1 2.0310 0.0000 . 2 . . . . B 31 GLU HB2 . 30681 1 641 . 2 . 2 32 32 GLU HB3 H 1 1.7800 0.0000 . 2 . . . . B 31 GLU HB3 . 30681 1 642 . 2 . 2 32 32 GLU HG2 H 1 2.2500 0.0000 . 2 . . . . B 31 GLU HG2 . 30681 1 643 . 2 . 2 32 32 GLU C C 13 175.4530 0.0000 . 1 . . . . B 31 GLU C . 30681 1 644 . 2 . 2 32 32 GLU CA C 13 56.4000 0.0000 . 1 . . . . B 31 GLU CA . 30681 1 645 . 2 . 2 32 32 GLU CB C 13 31.2630 0.0000 . 1 . . . . B 31 GLU CB . 30681 1 646 . 2 . 2 32 32 GLU CG C 13 36.7670 0.0000 . 1 . . . . B 31 GLU CG . 30681 1 647 . 2 . 2 32 32 GLU N N 15 120.7080 0.0000 . 1 . . . . B 31 GLU N . 30681 1 648 . 2 . 2 33 33 ARG H H 1 7.9200 0.0000 . 1 . . . . B 32 ARG H . 30681 1 649 . 2 . 2 33 33 ARG HA H 1 4.1350 0.0000 . 1 . . . . B 32 ARG HA . 30681 1 650 . 2 . 2 33 33 ARG HB2 H 1 1.8260 0.0000 . 2 . . . . B 32 ARG HB2 . 30681 1 651 . 2 . 2 33 33 ARG HB3 H 1 1.6790 0.0000 . 2 . . . . B 32 ARG HB3 . 30681 1 652 . 2 . 2 33 33 ARG HG2 H 1 1.5990 0.0000 . 2 . . . . B 32 ARG HG2 . 30681 1 653 . 2 . 2 33 33 ARG HD2 H 1 3.1870 0.0000 . 2 . . . . B 32 ARG HD2 . 30681 1 654 . 2 . 2 33 33 ARG CA C 13 57.5590 0.0000 . 1 . . . . B 32 ARG CA . 30681 1 655 . 2 . 2 33 33 ARG CB C 13 31.6830 0.0000 . 1 . . . . B 32 ARG CB . 30681 1 656 . 2 . 2 33 33 ARG CG C 13 27.2840 0.0000 . 1 . . . . B 32 ARG CG . 30681 1 657 . 2 . 2 33 33 ARG CD C 13 43.5240 0.0000 . 1 . . . . B 32 ARG CD . 30681 1 658 . 2 . 2 33 33 ARG N N 15 127.0380 0.0000 . 1 . . . . B 32 ARG N . 30681 1 stop_ save_