data_34908 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34908 _Entry.Title ; Solution Structure of cAMP-dependent Protein Kinase RII-alpha Subunit Dimerization and Docking Domain Complex with Microtubule Associated Protein 2c (84-111) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-06 _Entry.Accession_date 2024-03-06 _Entry.Last_release_date 2024-09-17 _Entry.Original_release_date 2024-09-17 _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 NMR' _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_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 V. Bartosik V. . . . 34908 2 A. Lanikova A. . . . 34908 3 Z. Janackova Z. . . . 34908 4 P. Padrta P. . . . 34908 5 L. Zidek L. . . . 34908 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '4-helix bundle' . 34908 AKAP . 34908 IDP . 34908 MAP2c . 34908 PKA . 34908 'PROTEIN BINDING' . 34908 microtubule . 34908 'protein-protein complex' . 34908 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34908 spectral_peak_list 1 34908 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 34908 '15N chemical shifts' 90 34908 '1H chemical shifts' 575 34908 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 1 . . 2024-10-15 . original BMRB . 34908 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8S8O 'BMRB Entry Tracking System' 34908 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34908 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39002671 _Citation.DOI 10.1016/j.jbc.2024.107551 _Citation.Full_citation . _Citation.Title ; Structural basis of binding the unique N-terminal domain of microtubule-associated protein 2c to proteins regulating kinases of signaling pathways. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 300 _Citation.Journal_issue . _Citation.Journal_ASTM JBCHA3 _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0071 _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 107551 _Citation.Page_last 107551 _Citation.Year 2024 _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 V. Bartosik V. . . . 34908 1 2 J. Plucarova J. . . . 34908 1 3 A. Lanikova A. . . . 34908 1 4 Z. Janackova Z. . . . 34908 1 5 P. Padrta P. . . . 34908 1 6 S. Jansen S. . . . 34908 1 7 V. Varecka V. . . . 34908 1 8 T. Gruber T. . . . 34908 1 9 S. Feller S. M. . . 34908 1 10 L. Zidek L. . . . 34908 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34908 _Assembly.ID 1 _Assembly.Name 'cAMP-dependent protein kinase type II-alpha regulatory subunit, Isoform 4 of Microtubule-associated protein 2' _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 unit_1 1 $entity_1 A A yes . . . . . . 34908 1 2 unit_2 1 $entity_1 B B yes . . . . . . 34908 1 3 unit_3 2 $entity_2 C C no . . . . . . 34908 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34908 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGMSHIQIPPGLTELLQG YTVEVLRQQPPDLVEFAVEY FTRLREARAPAS ; _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-terminal docking and dimerization domain, residues 1-52' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5789.617 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 34908 1 2 . ALA . 34908 1 3 . MET . 34908 1 4 . GLY . 34908 1 5 . MET . 34908 1 6 . SER . 34908 1 7 . HIS . 34908 1 8 . ILE . 34908 1 9 . GLN . 34908 1 10 . ILE . 34908 1 11 . PRO . 34908 1 12 . PRO . 34908 1 13 . GLY . 34908 1 14 . LEU . 34908 1 15 . THR . 34908 1 16 . GLU . 34908 1 17 . LEU . 34908 1 18 . LEU . 34908 1 19 . GLN . 34908 1 20 . GLY . 34908 1 21 . TYR . 34908 1 22 . THR . 34908 1 23 . VAL . 34908 1 24 . GLU . 34908 1 25 . VAL . 34908 1 26 . LEU . 34908 1 27 . ARG . 34908 1 28 . GLN . 34908 1 29 . GLN . 34908 1 30 . PRO . 34908 1 31 . PRO . 34908 1 32 . ASP . 34908 1 33 . LEU . 34908 1 34 . VAL . 34908 1 35 . GLU . 34908 1 36 . PHE . 34908 1 37 . ALA . 34908 1 38 . VAL . 34908 1 39 . GLU . 34908 1 40 . TYR . 34908 1 41 . PHE . 34908 1 42 . THR . 34908 1 43 . ARG . 34908 1 44 . LEU . 34908 1 45 . ARG . 34908 1 46 . GLU . 34908 1 47 . ALA . 34908 1 48 . ARG . 34908 1 49 . ALA . 34908 1 50 . PRO . 34908 1 51 . ALA . 34908 1 52 . SER . 34908 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34908 1 . ALA 2 2 34908 1 . MET 3 3 34908 1 . GLY 4 4 34908 1 . MET 5 5 34908 1 . SER 6 6 34908 1 . HIS 7 7 34908 1 . ILE 8 8 34908 1 . GLN 9 9 34908 1 . ILE 10 10 34908 1 . PRO 11 11 34908 1 . PRO 12 12 34908 1 . GLY 13 13 34908 1 . LEU 14 14 34908 1 . THR 15 15 34908 1 . GLU 16 16 34908 1 . LEU 17 17 34908 1 . LEU 18 18 34908 1 . GLN 19 19 34908 1 . GLY 20 20 34908 1 . TYR 21 21 34908 1 . THR 22 22 34908 1 . VAL 23 23 34908 1 . GLU 24 24 34908 1 . VAL 25 25 34908 1 . LEU 26 26 34908 1 . ARG 27 27 34908 1 . GLN 28 28 34908 1 . GLN 29 29 34908 1 . PRO 30 30 34908 1 . PRO 31 31 34908 1 . ASP 32 32 34908 1 . LEU 33 33 34908 1 . VAL 34 34 34908 1 . GLU 35 35 34908 1 . PHE 36 36 34908 1 . ALA 37 37 34908 1 . VAL 38 38 34908 1 . GLU 39 39 34908 1 . TYR 40 40 34908 1 . PHE 41 41 34908 1 . THR 42 42 34908 1 . ARG 43 43 34908 1 . LEU 44 44 34908 1 . ARG 45 45 34908 1 . GLU 46 46 34908 1 . ALA 47 47 34908 1 . ARG 48 48 34908 1 . ALA 49 49 34908 1 . PRO 50 50 34908 1 . ALA 51 51 34908 1 . SER 52 52 34908 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34908 _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 C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RETAEEVSARIVQVVTAEAV AVLKGEQE ; _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 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment 'N-terminal PKA binding region, residues 80-120' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3015.349 _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 MAP-2 common 34908 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 . ARG . 34908 2 2 . GLU . 34908 2 3 . THR . 34908 2 4 . ALA . 34908 2 5 . GLU . 34908 2 6 . GLU . 34908 2 7 . VAL . 34908 2 8 . SER . 34908 2 9 . ALA . 34908 2 10 . ARG . 34908 2 11 . ILE . 34908 2 12 . VAL . 34908 2 13 . GLN . 34908 2 14 . VAL . 34908 2 15 . VAL . 34908 2 16 . THR . 34908 2 17 . ALA . 34908 2 18 . GLU . 34908 2 19 . ALA . 34908 2 20 . VAL . 34908 2 21 . ALA . 34908 2 22 . VAL . 34908 2 23 . LEU . 34908 2 24 . LYS . 34908 2 25 . GLY . 34908 2 26 . GLU . 34908 2 27 . GLN . 34908 2 28 . GLU . 34908 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 . ARG 1 1 34908 2 . GLU 2 2 34908 2 . THR 3 3 34908 2 . ALA 4 4 34908 2 . GLU 5 5 34908 2 . GLU 6 6 34908 2 . VAL 7 7 34908 2 . SER 8 8 34908 2 . ALA 9 9 34908 2 . ARG 10 10 34908 2 . ILE 11 11 34908 2 . VAL 12 12 34908 2 . GLN 13 13 34908 2 . VAL 14 14 34908 2 . VAL 15 15 34908 2 . THR 16 16 34908 2 . ALA 17 17 34908 2 . GLU 18 18 34908 2 . ALA 19 19 34908 2 . VAL 20 20 34908 2 . ALA 21 21 34908 2 . VAL 22 22 34908 2 . LEU 23 23 34908 2 . LYS 24 24 34908 2 . GLY 25 25 34908 2 . GLU 26 26 34908 2 . GLN 27 27 34908 2 . GLU 28 28 34908 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 34908 _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 . . . . . . . . . . . 'PRKAR2A, PKR2, PRKAR2' . 34908 1 2 2 $entity_2 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . 'Map2, Mtap2' . 34908 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 34908 _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 . . . RIPL . PLASMID . . pETM11 . . . 34908 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . RIPL . PLASMID . . pETM11 . . . 34908 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34908 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-13C; U-15N] Microtubule associated protein 2c, 2 mM cAMP-dependent protein kinase type II-alpha regulatory subunit, 50 mM MOPS, 100 mM sodium chloride, 10 % v/v D2O, 17 mM sodium azide, 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 'Microtubule associated protein 2c' '[U-13C; U-15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 34908 1 2 'cAMP-dependent protein kinase type II-alpha regulatory subunit' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 34908 1 3 MOPS 'natural abundance' . . . . . . 50 . . mM . . . . 34908 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34908 1 5 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 34908 1 6 'sodium azide' 'natural abundance' . . . . . . 17 . . mM . . . . 34908 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34908 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.56 mM Microtubule associated protein 2c, 1.12 mM [U-13C; U-15N] cAMP-dependent protein kinase type II-alpha regulatory subunit, 50 mM MOPS, 100 mM sodium chloride, 10 % v/v D2O, 10 mM sodium azide, 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 'Microtubule associated protein 2c' 'natural abundance' . . 2 $entity_2 . . 0.56 . . mM . . . . 34908 2 2 'cAMP-dependent protein kinase type II-alpha regulatory subunit' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.12 . . mM . . . . 34908 2 3 MOPS 'natural abundance' . . . . . . 50 . . mM . . . . 34908 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34908 2 5 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 34908 2 6 'sodium azide' 'natural abundance' . . . . . . 10 . . mM . . . . 34908 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34908 _Sample.ID 3 _Sample.Name . _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details ; 0.1 mM [U-15N] Microtubule associated protein 2c, 0.4 mM cAMP-dependent protein kinase type II-alpha regulatory subunit, 50 mM MOPS, 100 mM sodium chloride, 8 % v/v D2O, 40 mg/mL Pf1 phage, 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 'Microtubule associated protein 2c' [U-15N] . . 2 $entity_2 . . 0.1 . . mM . . . . 34908 3 2 'cAMP-dependent protein kinase type II-alpha regulatory subunit' 'natural abundance' . . 1 $entity_1 . . 0.4 . . mM . . . . 34908 3 3 MOPS 'natural abundance' . . . . . . 50 . . mM . . . . 34908 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34908 3 5 D2O 'natural abundance' . . . . . . 8 . . '% v/v' . . . . 34908 3 6 'Pf1 phage' 'natural abundance' . . . . . . 40 . . mg/mL . . . . 34908 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34908 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.23 mM [U-15N] Microtubule associated protein 2c, 0.92 mM cAMP-dependent protein kinase type II-alpha regulatory subunit, 50 mM MOPS, 100 mM sodium chloride, 7.5 % v/v D2O, 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 'Microtubule associated protein 2c' [U-15N] . . 2 $entity_2 . . 0.23 . . mM . . . . 34908 4 2 'cAMP-dependent protein kinase type II-alpha regulatory subunit' 'natural abundance' . . 1 $entity_1 . . 0.92 . . mM . . . . 34908 4 3 MOPS 'natural abundance' . . . . . . 50 . . mM . . . . 34908 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34908 4 5 D2O 'natural abundance' . . . . . . 7.5 . . '% v/v' . . . . 34908 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 34908 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.45 mM I,V-13C; I,L,V-15N Microtubule associated protein 2c, 1.8 mM cAMP-dependent protein kinase type II-alpha regulatory subunit, 50 mM MOPS, 100 mM sodium chloride, 7.5 % v/v D2O, 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 'Microtubule associated protein 2c' '[I,V-13C; I,L,V-15N]' . . 2 $entity_2 . . 0.45 . . mM . . . . 34908 5 2 'cAMP-dependent protein kinase type II-alpha regulatory subunit' 'natural abundance' . . 1 $entity_1 . . 1.8 . . mM . . . . 34908 5 3 MOPS 'natural abundance' . . . . . . 50 . . mM . . . . 34908 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34908 5 5 D2O 'natural abundance' . . . . . . 7.5 . . '% v/v' . . . . 34908 5 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 34908 _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' 100 . mM 34908 1 pH 6.9 . pH 34908 1 pressure 1 . bar 34908 1 temperature 300.2 . K 34908 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34908 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34908 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34908 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34908 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 11.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34908 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34908 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34908 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34908 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34908 3 'peak picking' . 34908 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34908 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 3.98.15 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34908 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34908 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34908 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version 1.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34908 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34908 5 'structure calculation' . 34908 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34908 _Software.ID 6 _Software.Type . _Software.Name SCULPTOR _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Charavay, Eynard, Hus, Bouvignies and Blackledge' . . 34908 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34908 6 'structure calculation' . 34908 6 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 34908 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34908 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34908 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 34908 _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 Bruker 'AVANCE III HD' . 950 . . . 34908 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 850 . . . 34908 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 600 . . . 34908 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 34908 _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 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 5 '3D 1H-15N NOESY filtered' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 6 '3D 1H-13C NOESY aliphatic filtered' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 7 '3D 1H-15N NOESY filtered' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 8 '3D 1H-13C NOESY aliphatic filtered' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 13 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 14 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 15 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 16 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 17 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 18 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 19 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34908 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34908 1 21 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34908 1 22 '3D HCCH-TOCSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34908 1 23 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 24 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 25 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 26 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34908 1 27 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34908 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 34908 _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 0.000 na indirect 0.251449530 . . . . . 34908 1 H 1 water protons . . . . ppm 0.000 internal direct 1.0 . . . . . 34908 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.000 na indirect 0.101329118 . . . . . 34908 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 34908 _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 '3D 1H-15N NOESY' . . . 34908 1 2 '3D 1H-13C NOESY aliphatic' . . . 34908 1 3 '3D 1H-15N NOESY' . . . 34908 1 4 '3D 1H-13C NOESY aliphatic' . . . 34908 1 5 '3D 1H-15N NOESY filtered' . . . 34908 1 6 '3D 1H-13C NOESY aliphatic filtered' . . . 34908 1 7 '3D 1H-15N NOESY filtered' . . . 34908 1 8 '3D 1H-13C NOESY aliphatic filtered' . . . 34908 1 9 '2D 1H-15N HSQC' . . . 34908 1 10 '2D 1H-15N HSQC' . . . 34908 1 11 '2D 1H-15N HSQC' . . . 34908 1 12 '2D 1H-15N HSQC' . . . 34908 1 13 '2D 1H-15N HSQC IPAP' . . . 34908 1 14 '2D 1H-15N HSQC IPAP' . . . 34908 1 15 '3D HNCA' . . . 34908 1 16 '3D HN(CO)CA' . . . 34908 1 17 '3D HNCACB' . . . 34908 1 18 '3D CBCA(CO)NH' . . . 34908 1 19 '3D HCCH-TOCSY' . . . 34908 1 20 '3D 1H-15N NOESY' . . . 34908 1 21 '3D 1H-13C NOESY aliphatic' . . . 34908 1 22 '3D HCCH-TOCSY' . . . 34908 1 23 '3D HNCA' . . . 34908 1 24 '3D HN(CO)CA' . . . 34908 1 25 '3D HNCACB' . . . 34908 1 26 '3D CBCA(CO)NH' . . . 34908 1 27 '3D HCCH-TOCSY' . . . 34908 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 1 1 GLY HA2 H 1 3.800 0.000 . 2 . . . . A 1 GLY HA2 . 34908 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.800 0.000 . 2 . . . . A 1 GLY HA3 . 34908 1 3 . 1 . 1 1 1 GLY CA C 13 43.483 0.000 . 1 . . . . A 1 GLY CA . 34908 1 4 . 1 . 1 2 2 ALA H H 1 8.189 0.000 . 1 . . . . A 2 ALA H . 34908 1 5 . 1 . 1 2 2 ALA HA H 1 4.334 0.002 . 1 . . . . A 2 ALA HA . 34908 1 6 . 1 . 1 2 2 ALA HB1 H 1 1.376 0.013 . 1 . . . . A 2 ALA HB1 . 34908 1 7 . 1 . 1 2 2 ALA HB2 H 1 1.376 0.013 . 1 . . . . A 2 ALA HB2 . 34908 1 8 . 1 . 1 2 2 ALA HB3 H 1 1.376 0.013 . 1 . . . . A 2 ALA HB3 . 34908 1 9 . 1 . 1 2 2 ALA CA C 13 52.546 0.000 . 1 . . . . A 2 ALA CA . 34908 1 10 . 1 . 1 2 2 ALA CB C 13 19.408 0.000 . 1 . . . . A 2 ALA CB . 34908 1 11 . 1 . 1 2 2 ALA N N 15 123.700 0.000 . 1 . . . . A 2 ALA N . 34908 1 12 . 1 . 1 3 3 MET H H 1 8.499 0.005 . 1 . . . . A 3 MET H . 34908 1 13 . 1 . 1 3 3 MET HA H 1 4.441 0.019 . 1 . . . . A 3 MET HA . 34908 1 14 . 1 . 1 3 3 MET HB2 H 1 2.531 0.017 . 1 . . . . A 3 MET HB2 . 34908 1 15 . 1 . 1 3 3 MET HB3 H 1 2.586 0.004 . 1 . . . . A 3 MET HB3 . 34908 1 16 . 1 . 1 3 3 MET HG2 H 1 1.999 0.004 . 1 . . . . A 3 MET HG2 . 34908 1 17 . 1 . 1 3 3 MET HG3 H 1 2.055 0.016 . 1 . . . . A 3 MET HG3 . 34908 1 18 . 1 . 1 3 3 MET CA C 13 55.577 0.088 . 1 . . . . A 3 MET CA . 34908 1 19 . 1 . 1 3 3 MET CB C 13 32.282 0.277 . 1 . . . . A 3 MET CB . 34908 1 20 . 1 . 1 3 3 MET CG C 13 32.818 0.044 . 1 . . . . A 3 MET CG . 34908 1 21 . 1 . 1 3 3 MET N N 15 119.676 0.034 . 1 . . . . A 3 MET N . 34908 1 22 . 1 . 1 4 4 GLY H H 1 8.395 0.003 . 1 . . . . A 4 GLY H . 34908 1 23 . 1 . 1 4 4 GLY HA2 H 1 3.937 0.009 . 2 . . . . A 4 GLY HA2 . 34908 1 24 . 1 . 1 4 4 GLY HA3 H 1 3.937 0.009 . 2 . . . . A 4 GLY HA3 . 34908 1 25 . 1 . 1 4 4 GLY CA C 13 45.411 0.029 . 1 . . . . A 4 GLY CA . 34908 1 26 . 1 . 1 4 4 GLY N N 15 109.982 0.007 . 1 . . . . A 4 GLY N . 34908 1 27 . 1 . 1 5 5 MET H H 1 8.207 0.007 . 1 . . . . A 5 MET H . 34908 1 28 . 1 . 1 5 5 MET HA H 1 4.486 0.015 . 1 . . . . A 5 MET HA . 34908 1 29 . 1 . 1 5 5 MET HB2 H 1 2.476 0.010 . 1 . . . . A 5 MET HB2 . 34908 1 30 . 1 . 1 5 5 MET HB3 H 1 2.513 0.021 . 1 . . . . A 5 MET HB3 . 34908 1 31 . 1 . 1 5 5 MET HG2 H 1 1.949 0.004 . 1 . . . . A 5 MET HG2 . 34908 1 32 . 1 . 1 5 5 MET HG3 H 1 2.040 0.009 . 1 . . . . A 5 MET HG3 . 34908 1 33 . 1 . 1 5 5 MET CA C 13 55.325 0.048 . 1 . . . . A 5 MET CA . 34908 1 34 . 1 . 1 5 5 MET CB C 13 32.112 0.091 . 1 . . . . A 5 MET CB . 34908 1 35 . 1 . 1 5 5 MET CG C 13 33.000 0.078 . 1 . . . . A 5 MET CG . 34908 1 36 . 1 . 1 5 5 MET N N 15 119.734 0.026 . 1 . . . . A 5 MET N . 34908 1 37 . 1 . 1 6 6 SER H H 1 8.322 0.014 . 1 . . . . A 6 SER H . 34908 1 38 . 1 . 1 6 6 SER HA H 1 4.413 0.026 . 1 . . . . A 6 SER HA . 34908 1 39 . 1 . 1 6 6 SER HB2 H 1 3.792 0.010 . 2 . . . . A 6 SER HB2 . 34908 1 40 . 1 . 1 6 6 SER HB3 H 1 3.792 0.010 . 2 . . . . A 6 SER HB3 . 34908 1 41 . 1 . 1 6 6 SER CA C 13 58.471 0.016 . 1 . . . . A 6 SER CA . 34908 1 42 . 1 . 1 6 6 SER CB C 13 63.837 0.019 . 1 . . . . A 6 SER CB . 34908 1 43 . 1 . 1 6 6 SER N N 15 116.731 0.015 . 1 . . . . A 6 SER N . 34908 1 44 . 1 . 1 7 7 HIS H H 1 8.343 0.000 . 1 . . . . A 7 HIS H . 34908 1 45 . 1 . 1 7 7 HIS HA H 1 4.641 0.009 . 1 . . . . A 7 HIS HA . 34908 1 46 . 1 . 1 7 7 HIS HB2 H 1 3.013 0.000 . 1 . . . . A 7 HIS HB2 . 34908 1 47 . 1 . 1 7 7 HIS HB3 H 1 3.070 0.003 . 1 . . . . A 7 HIS HB3 . 34908 1 48 . 1 . 1 7 7 HIS CA C 13 56.062 0.103 . 1 . . . . A 7 HIS CA . 34908 1 49 . 1 . 1 7 7 HIS CB C 13 30.753 0.013 . 1 . . . . A 7 HIS CB . 34908 1 50 . 1 . 1 7 7 HIS N N 15 120.800 0.000 . 1 . . . . A 7 HIS N . 34908 1 51 . 1 . 1 8 8 ILE H H 1 8.270 0.006 . 1 . . . . A 8 ILE H . 34908 1 52 . 1 . 1 8 8 ILE HA H 1 3.984 0.013 . 1 . . . . A 8 ILE HA . 34908 1 53 . 1 . 1 8 8 ILE HB H 1 1.711 0.011 . 1 . . . . A 8 ILE HB . 34908 1 54 . 1 . 1 8 8 ILE HG12 H 1 1.157 0.107 . 1 . . . . A 8 ILE HG12 . 34908 1 55 . 1 . 1 8 8 ILE HG13 H 1 1.284 0.068 . 1 . . . . A 8 ILE HG13 . 34908 1 56 . 1 . 1 8 8 ILE HG21 H 1 0.780 0.001 . 1 . . . . A 8 ILE HG21 . 34908 1 57 . 1 . 1 8 8 ILE HG22 H 1 0.780 0.001 . 1 . . . . A 8 ILE HG22 . 34908 1 58 . 1 . 1 8 8 ILE HG23 H 1 0.780 0.001 . 1 . . . . A 8 ILE HG23 . 34908 1 59 . 1 . 1 8 8 ILE HD11 H 1 0.705 0.014 . 1 . . . . A 8 ILE HD11 . 34908 1 60 . 1 . 1 8 8 ILE HD12 H 1 0.705 0.014 . 1 . . . . A 8 ILE HD12 . 34908 1 61 . 1 . 1 8 8 ILE HD13 H 1 0.705 0.014 . 1 . . . . A 8 ILE HD13 . 34908 1 62 . 1 . 1 8 8 ILE CA C 13 60.584 0.049 . 1 . . . . A 8 ILE CA . 34908 1 63 . 1 . 1 8 8 ILE CB C 13 38.169 0.012 . 1 . . . . A 8 ILE CB . 34908 1 64 . 1 . 1 8 8 ILE CG1 C 13 27.442 0.197 . 1 . . . . A 8 ILE CG1 . 34908 1 65 . 1 . 1 8 8 ILE CG2 C 13 18.259 0.038 . 1 . . . . A 8 ILE CG2 . 34908 1 66 . 1 . 1 8 8 ILE CD1 C 13 12.207 0.059 . 1 . . . . A 8 ILE CD1 . 34908 1 67 . 1 . 1 8 8 ILE N N 15 123.181 0.005 . 1 . . . . A 8 ILE N . 34908 1 68 . 1 . 1 9 9 GLN H H 1 8.359 0.006 . 1 . . . . A 9 GLN H . 34908 1 69 . 1 . 1 9 9 GLN HA H 1 4.268 0.009 . 1 . . . . A 9 GLN HA . 34908 1 70 . 1 . 1 9 9 GLN HB2 H 1 1.869 0.002 . 1 . . . . A 9 GLN HB2 . 34908 1 71 . 1 . 1 9 9 GLN HB3 H 1 1.920 0.012 . 1 . . . . A 9 GLN HB3 . 34908 1 72 . 1 . 1 9 9 GLN HG2 H 1 2.203 0.012 . 2 . . . . A 9 GLN HG2 . 34908 1 73 . 1 . 1 9 9 GLN HG3 H 1 2.203 0.012 . 2 . . . . A 9 GLN HG3 . 34908 1 74 . 1 . 1 9 9 GLN CA C 13 54.852 0.024 . 1 . . . . A 9 GLN CA . 34908 1 75 . 1 . 1 9 9 GLN CB C 13 29.651 0.043 . 1 . . . . A 9 GLN CB . 34908 1 76 . 1 . 1 9 9 GLN CG C 13 33.791 0.067 . 1 . . . . A 9 GLN CG . 34908 1 77 . 1 . 1 9 9 GLN N N 15 126.943 0.028 . 1 . . . . A 9 GLN N . 34908 1 78 . 1 . 1 10 10 ILE H H 1 8.517 0.008 . 1 . . . . A 10 ILE H . 34908 1 79 . 1 . 1 10 10 ILE HA H 1 4.174 0.005 . 1 . . . . A 10 ILE HA . 34908 1 80 . 1 . 1 10 10 ILE HB H 1 1.925 0.005 . 1 . . . . A 10 ILE HB . 34908 1 81 . 1 . 1 10 10 ILE HG12 H 1 1.179 0.006 . 1 . . . . A 10 ILE HG12 . 34908 1 82 . 1 . 1 10 10 ILE HG13 H 1 1.477 0.003 . 1 . . . . A 10 ILE HG13 . 34908 1 83 . 1 . 1 10 10 ILE HG21 H 1 0.894 0.032 . 1 . . . . A 10 ILE HG21 . 34908 1 84 . 1 . 1 10 10 ILE HG22 H 1 0.894 0.032 . 1 . . . . A 10 ILE HG22 . 34908 1 85 . 1 . 1 10 10 ILE HG23 H 1 0.894 0.032 . 1 . . . . A 10 ILE HG23 . 34908 1 86 . 1 . 1 10 10 ILE HD11 H 1 0.722 0.012 . 1 . . . . A 10 ILE HD11 . 34908 1 87 . 1 . 1 10 10 ILE HD12 H 1 0.722 0.012 . 1 . . . . A 10 ILE HD12 . 34908 1 88 . 1 . 1 10 10 ILE HD13 H 1 0.722 0.012 . 1 . . . . A 10 ILE HD13 . 34908 1 89 . 1 . 1 10 10 ILE CA C 13 57.620 0.000 . 1 . . . . A 10 ILE CA . 34908 1 90 . 1 . 1 10 10 ILE CB C 13 37.186 0.055 . 1 . . . . A 10 ILE CB . 34908 1 91 . 1 . 1 10 10 ILE CG1 C 13 27.022 0.091 . 1 . . . . A 10 ILE CG1 . 34908 1 92 . 1 . 1 10 10 ILE CG2 C 13 17.608 0.086 . 1 . . . . A 10 ILE CG2 . 34908 1 93 . 1 . 1 10 10 ILE CD1 C 13 11.710 0.038 . 1 . . . . A 10 ILE CD1 . 34908 1 94 . 1 . 1 10 10 ILE N N 15 125.692 0.000 . 1 . . . . A 10 ILE N . 34908 1 95 . 1 . 1 13 13 GLY H H 1 8.751 0.010 . 1 . . . . A 13 GLY H . 34908 1 96 . 1 . 1 13 13 GLY HA2 H 1 3.940 0.011 . 2 . . . . A 13 GLY HA2 . 34908 1 97 . 1 . 1 13 13 GLY HA3 H 1 3.940 0.011 . 2 . . . . A 13 GLY HA3 . 34908 1 98 . 1 . 1 13 13 GLY CA C 13 45.471 0.053 . 1 . . . . A 13 GLY CA . 34908 1 99 . 1 . 1 13 13 GLY N N 15 110.392 0.017 . 1 . . . . A 13 GLY N . 34908 1 100 . 1 . 1 14 14 LEU H H 1 7.546 0.006 . 1 . . . . A 14 LEU H . 34908 1 101 . 1 . 1 14 14 LEU HA H 1 4.119 0.010 . 1 . . . . A 14 LEU HA . 34908 1 102 . 1 . 1 14 14 LEU HB2 H 1 1.462 0.011 . 1 . . . . A 14 LEU HB2 . 34908 1 103 . 1 . 1 14 14 LEU HB3 H 1 1.386 0.003 . 1 . . . . A 14 LEU HB3 . 34908 1 104 . 1 . 1 14 14 LEU HG H 1 1.575 0.000 . 1 . . . . A 14 LEU HG . 34908 1 105 . 1 . 1 14 14 LEU HD11 H 1 1.127 0.010 . 2 . . . . A 14 LEU HD11 . 34908 1 106 . 1 . 1 14 14 LEU HD12 H 1 1.127 0.010 . 2 . . . . A 14 LEU HD12 . 34908 1 107 . 1 . 1 14 14 LEU HD13 H 1 1.127 0.010 . 2 . . . . A 14 LEU HD13 . 34908 1 108 . 1 . 1 14 14 LEU HD21 H 1 0.987 0.010 . 2 . . . . A 14 LEU HD21 . 34908 1 109 . 1 . 1 14 14 LEU HD22 H 1 0.987 0.010 . 2 . . . . A 14 LEU HD22 . 34908 1 110 . 1 . 1 14 14 LEU HD23 H 1 0.987 0.010 . 2 . . . . A 14 LEU HD23 . 34908 1 111 . 1 . 1 14 14 LEU CA C 13 58.672 0.080 . 1 . . . . A 14 LEU CA . 34908 1 112 . 1 . 1 14 14 LEU CB C 13 42.300 0.000 . 1 . . . . A 14 LEU CB . 34908 1 113 . 1 . 1 14 14 LEU CG C 13 27.597 0.000 . 1 . . . . A 14 LEU CG . 34908 1 114 . 1 . 1 14 14 LEU CD1 C 13 24.558 0.142 . 1 . . . . A 14 LEU CD1 . 34908 1 115 . 1 . 1 14 14 LEU CD2 C 13 26.364 0.006 . 1 . . . . A 14 LEU CD2 . 34908 1 116 . 1 . 1 14 14 LEU N N 15 122.193 0.035 . 1 . . . . A 14 LEU N . 34908 1 117 . 1 . 1 15 15 THR H H 1 8.621 0.011 . 1 . . . . A 15 THR H . 34908 1 118 . 1 . 1 15 15 THR HA H 1 3.650 0.004 . 1 . . . . A 15 THR HA . 34908 1 119 . 1 . 1 15 15 THR HB H 1 4.100 0.007 . 1 . . . . A 15 THR HB . 34908 1 120 . 1 . 1 15 15 THR HG21 H 1 1.192 0.020 . 1 . . . . A 15 THR HG21 . 34908 1 121 . 1 . 1 15 15 THR HG22 H 1 1.192 0.020 . 1 . . . . A 15 THR HG22 . 34908 1 122 . 1 . 1 15 15 THR HG23 H 1 1.192 0.020 . 1 . . . . A 15 THR HG23 . 34908 1 123 . 1 . 1 15 15 THR CA C 13 67.350 0.071 . 1 . . . . A 15 THR CA . 34908 1 124 . 1 . 1 15 15 THR CB C 13 68.035 0.057 . 1 . . . . A 15 THR CB . 34908 1 125 . 1 . 1 15 15 THR CG2 C 13 22.174 0.072 . 1 . . . . A 15 THR CG2 . 34908 1 126 . 1 . 1 15 15 THR N N 15 114.575 0.035 . 1 . . . . A 15 THR N . 34908 1 127 . 1 . 1 16 16 GLU H H 1 8.937 0.016 . 1 . . . . A 16 GLU H . 34908 1 128 . 1 . 1 16 16 GLU N N 15 121.469 0.026 . 1 . . . . A 16 GLU N . 34908 1 129 . 1 . 1 17 17 LEU H H 1 7.913 0.015 . 1 . . . . A 17 LEU H . 34908 1 130 . 1 . 1 17 17 LEU HA H 1 4.289 0.000 . 1 . . . . A 17 LEU HA . 34908 1 131 . 1 . 1 17 17 LEU HB2 H 1 1.630 0.000 . 1 . . . . A 17 LEU HB2 . 34908 1 132 . 1 . 1 17 17 LEU HB3 H 1 2.140 0.000 . 1 . . . . A 17 LEU HB3 . 34908 1 133 . 1 . 1 17 17 LEU HG H 1 1.931 0.000 . 1 . . . . A 17 LEU HG . 34908 1 134 . 1 . 1 17 17 LEU HD11 H 1 1.038 0.001 . 2 . . . . A 17 LEU HD11 . 34908 1 135 . 1 . 1 17 17 LEU HD12 H 1 1.038 0.001 . 2 . . . . A 17 LEU HD12 . 34908 1 136 . 1 . 1 17 17 LEU HD13 H 1 1.038 0.001 . 2 . . . . A 17 LEU HD13 . 34908 1 137 . 1 . 1 17 17 LEU HD21 H 1 0.995 0.007 . 2 . . . . A 17 LEU HD21 . 34908 1 138 . 1 . 1 17 17 LEU HD22 H 1 0.995 0.007 . 2 . . . . A 17 LEU HD22 . 34908 1 139 . 1 . 1 17 17 LEU HD23 H 1 0.995 0.007 . 2 . . . . A 17 LEU HD23 . 34908 1 140 . 1 . 1 17 17 LEU CA C 13 57.900 0.000 . 1 . . . . A 17 LEU CA . 34908 1 141 . 1 . 1 17 17 LEU CD2 C 13 22.802 0.000 . 1 . . . . A 17 LEU CD2 . 34908 1 142 . 1 . 1 17 17 LEU N N 15 121.877 0.057 . 1 . . . . A 17 LEU N . 34908 1 143 . 1 . 1 18 18 LEU H H 1 8.566 0.011 . 1 . . . . A 18 LEU H . 34908 1 144 . 1 . 1 18 18 LEU HA H 1 3.899 0.014 . 1 . . . . A 18 LEU HA . 34908 1 145 . 1 . 1 18 18 LEU HB2 H 1 1.532 0.003 . 1 . . . . A 18 LEU HB2 . 34908 1 146 . 1 . 1 18 18 LEU HB3 H 1 1.531 0.003 . 1 . . . . A 18 LEU HB3 . 34908 1 147 . 1 . 1 18 18 LEU HG H 1 1.386 0.006 . 1 . . . . A 18 LEU HG . 34908 1 148 . 1 . 1 18 18 LEU HD11 H 1 0.768 0.006 . 2 . . . . A 18 LEU HD11 . 34908 1 149 . 1 . 1 18 18 LEU HD12 H 1 0.768 0.006 . 2 . . . . A 18 LEU HD12 . 34908 1 150 . 1 . 1 18 18 LEU HD13 H 1 0.768 0.006 . 2 . . . . A 18 LEU HD13 . 34908 1 151 . 1 . 1 18 18 LEU HD21 H 1 0.743 0.001 . 2 . . . . A 18 LEU HD21 . 34908 1 152 . 1 . 1 18 18 LEU HD22 H 1 0.743 0.001 . 2 . . . . A 18 LEU HD22 . 34908 1 153 . 1 . 1 18 18 LEU HD23 H 1 0.743 0.001 . 2 . . . . A 18 LEU HD23 . 34908 1 154 . 1 . 1 18 18 LEU CA C 13 57.683 0.191 . 1 . . . . A 18 LEU CA . 34908 1 155 . 1 . 1 18 18 LEU CB C 13 42.150 0.000 . 1 . . . . A 18 LEU CB . 34908 1 156 . 1 . 1 18 18 LEU CG C 13 26.850 0.030 . 1 . . . . A 18 LEU CG . 34908 1 157 . 1 . 1 18 18 LEU CD1 C 13 24.376 0.021 . 1 . . . . A 18 LEU CD1 . 34908 1 158 . 1 . 1 18 18 LEU CD2 C 13 24.926 0.002 . 1 . . . . A 18 LEU CD2 . 34908 1 159 . 1 . 1 18 18 LEU N N 15 116.949 0.020 . 1 . . . . A 18 LEU N . 34908 1 160 . 1 . 1 19 19 GLN H H 1 9.088 0.013 . 1 . . . . A 19 GLN H . 34908 1 161 . 1 . 1 19 19 GLN HA H 1 4.664 0.000 . 1 . . . . A 19 GLN HA . 34908 1 162 . 1 . 1 19 19 GLN HB2 H 1 1.791 0.000 . 2 . . . . A 19 GLN HB2 . 34908 1 163 . 1 . 1 19 19 GLN HB3 H 1 1.791 0.000 . 2 . . . . A 19 GLN HB3 . 34908 1 164 . 1 . 1 19 19 GLN HG2 H 1 2.379 0.000 . 2 . . . . A 19 GLN HG2 . 34908 1 165 . 1 . 1 19 19 GLN HG3 H 1 2.379 0.000 . 2 . . . . A 19 GLN HG3 . 34908 1 166 . 1 . 1 19 19 GLN N N 15 122.865 0.003 . 1 . . . . A 19 GLN N . 34908 1 167 . 1 . 1 20 20 GLY H H 1 7.998 0.015 . 1 . . . . A 20 GLY H . 34908 1 168 . 1 . 1 20 20 GLY HA2 H 1 4.121 0.019 . 2 . . . . A 20 GLY HA2 . 34908 1 169 . 1 . 1 20 20 GLY HA3 H 1 4.121 0.019 . 2 . . . . A 20 GLY HA3 . 34908 1 170 . 1 . 1 20 20 GLY N N 15 126.606 0.041 . 1 . . . . A 20 GLY N . 34908 1 171 . 1 . 1 21 21 TYR H H 1 6.991 0.015 . 1 . . . . A 21 TYR H . 34908 1 172 . 1 . 1 21 21 TYR HA H 1 3.633 0.000 . 1 . . . . A 21 TYR HA . 34908 1 173 . 1 . 1 21 21 TYR CA C 13 60.282 0.000 . 1 . . . . A 21 TYR CA . 34908 1 174 . 1 . 1 21 21 TYR N N 15 119.726 0.009 . 1 . . . . A 21 TYR N . 34908 1 175 . 1 . 1 22 22 THR H H 1 7.991 0.013 . 1 . . . . A 22 THR H . 34908 1 176 . 1 . 1 22 22 THR HA H 1 3.266 0.284 . 1 . . . . A 22 THR HA . 34908 1 177 . 1 . 1 22 22 THR HB H 1 4.181 0.011 . 1 . . . . A 22 THR HB . 34908 1 178 . 1 . 1 22 22 THR HG21 H 1 0.995 0.008 . 1 . . . . A 22 THR HG21 . 34908 1 179 . 1 . 1 22 22 THR HG22 H 1 0.995 0.008 . 1 . . . . A 22 THR HG22 . 34908 1 180 . 1 . 1 22 22 THR HG23 H 1 0.995 0.008 . 1 . . . . A 22 THR HG23 . 34908 1 181 . 1 . 1 22 22 THR CA C 13 68.423 0.054 . 1 . . . . A 22 THR CA . 34908 1 182 . 1 . 1 22 22 THR CB C 13 67.435 0.055 . 1 . . . . A 22 THR CB . 34908 1 183 . 1 . 1 22 22 THR CG2 C 13 22.144 0.327 . 1 . . . . A 22 THR CG2 . 34908 1 184 . 1 . 1 22 22 THR N N 15 115.834 0.031 . 1 . . . . A 22 THR N . 34908 1 185 . 1 . 1 23 23 VAL H H 1 8.558 0.007 . 1 . . . . A 23 VAL H . 34908 1 186 . 1 . 1 23 23 VAL HA H 1 3.425 0.019 . 1 . . . . A 23 VAL HA . 34908 1 187 . 1 . 1 23 23 VAL HB H 1 2.126 0.008 . 1 . . . . A 23 VAL HB . 34908 1 188 . 1 . 1 23 23 VAL HG11 H 1 0.963 0.008 . 2 . . . . A 23 VAL HG11 . 34908 1 189 . 1 . 1 23 23 VAL HG12 H 1 0.963 0.008 . 2 . . . . A 23 VAL HG12 . 34908 1 190 . 1 . 1 23 23 VAL HG13 H 1 0.963 0.008 . 2 . . . . A 23 VAL HG13 . 34908 1 191 . 1 . 1 23 23 VAL HG21 H 1 0.938 0.001 . 2 . . . . A 23 VAL HG21 . 34908 1 192 . 1 . 1 23 23 VAL HG22 H 1 0.938 0.001 . 2 . . . . A 23 VAL HG22 . 34908 1 193 . 1 . 1 23 23 VAL HG23 H 1 0.938 0.001 . 2 . . . . A 23 VAL HG23 . 34908 1 194 . 1 . 1 23 23 VAL CA C 13 67.101 0.042 . 1 . . . . A 23 VAL CA . 34908 1 195 . 1 . 1 23 23 VAL CB C 13 31.485 0.054 . 1 . . . . A 23 VAL CB . 34908 1 196 . 1 . 1 23 23 VAL CG1 C 13 24.405 0.139 . 1 . . . . A 23 VAL CG1 . 34908 1 197 . 1 . 1 23 23 VAL CG2 C 13 21.313 0.071 . 1 . . . . A 23 VAL CG2 . 34908 1 198 . 1 . 1 23 23 VAL N N 15 120.852 0.015 . 1 . . . . A 23 VAL N . 34908 1 199 . 1 . 1 24 24 GLU H H 1 6.949 0.004 . 1 . . . . A 24 GLU H . 34908 1 200 . 1 . 1 24 24 GLU N N 15 118.265 0.012 . 1 . . . . A 24 GLU N . 34908 1 201 . 1 . 1 25 25 VAL H H 1 8.063 0.013 . 1 . . . . A 25 VAL H . 34908 1 202 . 1 . 1 25 25 VAL HA H 1 2.694 0.011 . 1 . . . . A 25 VAL HA . 34908 1 203 . 1 . 1 25 25 VAL HB H 1 1.910 0.020 . 1 . . . . A 25 VAL HB . 34908 1 204 . 1 . 1 25 25 VAL HG11 H 1 0.592 0.012 . 2 . . . . A 25 VAL HG11 . 34908 1 205 . 1 . 1 25 25 VAL HG12 H 1 0.592 0.012 . 2 . . . . A 25 VAL HG12 . 34908 1 206 . 1 . 1 25 25 VAL HG13 H 1 0.592 0.012 . 2 . . . . A 25 VAL HG13 . 34908 1 207 . 1 . 1 25 25 VAL HG21 H 1 0.228 0.008 . 2 . . . . A 25 VAL HG21 . 34908 1 208 . 1 . 1 25 25 VAL HG22 H 1 0.228 0.008 . 2 . . . . A 25 VAL HG22 . 34908 1 209 . 1 . 1 25 25 VAL HG23 H 1 0.228 0.008 . 2 . . . . A 25 VAL HG23 . 34908 1 210 . 1 . 1 25 25 VAL CA C 13 66.437 0.043 . 1 . . . . A 25 VAL CA . 34908 1 211 . 1 . 1 25 25 VAL CB C 13 30.900 0.000 . 1 . . . . A 25 VAL CB . 34908 1 212 . 1 . 1 25 25 VAL CG1 C 13 23.230 0.008 . 1 . . . . A 25 VAL CG1 . 34908 1 213 . 1 . 1 25 25 VAL CG2 C 13 23.444 0.110 . 1 . . . . A 25 VAL CG2 . 34908 1 214 . 1 . 1 25 25 VAL N N 15 120.521 0.038 . 1 . . . . A 25 VAL N . 34908 1 215 . 1 . 1 26 26 LEU H H 1 8.169 0.013 . 1 . . . . A 26 LEU H . 34908 1 216 . 1 . 1 26 26 LEU HA H 1 3.861 0.009 . 1 . . . . A 26 LEU HA . 34908 1 217 . 1 . 1 26 26 LEU HB2 H 1 1.903 0.011 . 1 . . . . A 26 LEU HB2 . 34908 1 218 . 1 . 1 26 26 LEU HB3 H 1 1.212 0.023 . 1 . . . . A 26 LEU HB3 . 34908 1 219 . 1 . 1 26 26 LEU HG H 1 1.939 0.000 . 1 . . . . A 26 LEU HG . 34908 1 220 . 1 . 1 26 26 LEU HD11 H 1 0.703 0.007 . 2 . . . . A 26 LEU HD11 . 34908 1 221 . 1 . 1 26 26 LEU HD12 H 1 0.703 0.007 . 2 . . . . A 26 LEU HD12 . 34908 1 222 . 1 . 1 26 26 LEU HD13 H 1 0.703 0.007 . 2 . . . . A 26 LEU HD13 . 34908 1 223 . 1 . 1 26 26 LEU HD21 H 1 0.653 0.005 . 2 . . . . A 26 LEU HD21 . 34908 1 224 . 1 . 1 26 26 LEU HD22 H 1 0.653 0.005 . 2 . . . . A 26 LEU HD22 . 34908 1 225 . 1 . 1 26 26 LEU HD23 H 1 0.653 0.005 . 2 . . . . A 26 LEU HD23 . 34908 1 226 . 1 . 1 26 26 LEU CA C 13 57.571 0.139 . 1 . . . . A 26 LEU CA . 34908 1 227 . 1 . 1 26 26 LEU CB C 13 41.080 0.150 . 1 . . . . A 26 LEU CB . 34908 1 228 . 1 . 1 26 26 LEU CG C 13 26.900 0.000 . 1 . . . . A 26 LEU CG . 34908 1 229 . 1 . 1 26 26 LEU CD1 C 13 22.874 0.218 . 1 . . . . A 26 LEU CD1 . 34908 1 230 . 1 . 1 26 26 LEU CD2 C 13 26.100 0.000 . 1 . . . . A 26 LEU CD2 . 34908 1 231 . 1 . 1 26 26 LEU N N 15 118.175 0.090 . 1 . . . . A 26 LEU N . 34908 1 232 . 1 . 1 27 27 ARG H H 1 8.184 0.012 . 1 . . . . A 27 ARG H . 34908 1 233 . 1 . 1 27 27 ARG HA H 1 3.941 0.036 . 1 . . . . A 27 ARG HA . 34908 1 234 . 1 . 1 27 27 ARG HB2 H 1 1.671 0.016 . 2 . . . . A 27 ARG HB2 . 34908 1 235 . 1 . 1 27 27 ARG HB3 H 1 1.671 0.016 . 2 . . . . A 27 ARG HB3 . 34908 1 236 . 1 . 1 27 27 ARG HG2 H 1 1.503 0.014 . 2 . . . . A 27 ARG HG2 . 34908 1 237 . 1 . 1 27 27 ARG HG3 H 1 1.503 0.014 . 2 . . . . A 27 ARG HG3 . 34908 1 238 . 1 . 1 27 27 ARG HD2 H 1 3.060 0.011 . 2 . . . . A 27 ARG HD2 . 34908 1 239 . 1 . 1 27 27 ARG HD3 H 1 3.060 0.011 . 2 . . . . A 27 ARG HD3 . 34908 1 240 . 1 . 1 27 27 ARG CA C 13 59.355 0.545 . 1 . . . . A 27 ARG CA . 34908 1 241 . 1 . 1 27 27 ARG CB C 13 27.472 0.017 . 1 . . . . A 27 ARG CB . 34908 1 242 . 1 . 1 27 27 ARG CG C 13 27.470 0.049 . 1 . . . . A 27 ARG CG . 34908 1 243 . 1 . 1 27 27 ARG CD C 13 43.573 0.079 . 1 . . . . A 27 ARG CD . 34908 1 244 . 1 . 1 27 27 ARG N N 15 116.756 0.050 . 1 . . . . A 27 ARG N . 34908 1 245 . 1 . 1 28 28 GLN H H 1 8.523 0.004 . 1 . . . . A 28 GLN H . 34908 1 246 . 1 . 1 28 28 GLN HA H 1 4.059 0.003 . 1 . . . . A 28 GLN HA . 34908 1 247 . 1 . 1 28 28 GLN HB2 H 1 2.058 0.014 . 1 . . . . A 28 GLN HB2 . 34908 1 248 . 1 . 1 28 28 GLN HB3 H 1 2.012 0.003 . 1 . . . . A 28 GLN HB3 . 34908 1 249 . 1 . 1 28 28 GLN HG2 H 1 2.411 0.000 . 1 . . . . A 28 GLN HG2 . 34908 1 250 . 1 . 1 28 28 GLN HG3 H 1 2.305 0.007 . 1 . . . . A 28 GLN HG3 . 34908 1 251 . 1 . 1 28 28 GLN CA C 13 58.006 0.018 . 1 . . . . A 28 GLN CA . 34908 1 252 . 1 . 1 28 28 GLN CB C 13 29.421 0.226 . 1 . . . . A 28 GLN CB . 34908 1 253 . 1 . 1 28 28 GLN CG C 13 36.589 0.074 . 1 . . . . A 28 GLN CG . 34908 1 254 . 1 . 1 28 28 GLN N N 15 115.153 0.011 . 1 . . . . A 28 GLN N . 34908 1 255 . 1 . 1 29 29 GLN H H 1 9.215 0.000 . 1 . . . . A 29 GLN H . 34908 1 256 . 1 . 1 29 29 GLN N N 15 123.678 0.000 . 1 . . . . A 29 GLN N . 34908 1 257 . 1 . 1 30 30 PRO HA H 1 4.531 0.022 . 1 . . . . A 30 PRO HA . 34908 1 258 . 1 . 1 30 30 PRO CA C 13 60.722 0.000 . 1 . . . . A 30 PRO CA . 34908 1 259 . 1 . 1 31 31 PRO HA H 1 4.338 0.005 . 1 . . . . A 31 PRO HA . 34908 1 260 . 1 . 1 31 31 PRO HB2 H 1 2.321 0.012 . 1 . . . . A 31 PRO HB2 . 34908 1 261 . 1 . 1 31 31 PRO HB3 H 1 2.248 0.003 . 1 . . . . A 31 PRO HB3 . 34908 1 262 . 1 . 1 31 31 PRO HG2 H 1 1.981 0.009 . 2 . . . . A 31 PRO HG2 . 34908 1 263 . 1 . 1 31 31 PRO HG3 H 1 1.981 0.009 . 2 . . . . A 31 PRO HG3 . 34908 1 264 . 1 . 1 31 31 PRO HD2 H 1 3.802 0.006 . 1 . . . . A 31 PRO HD2 . 34908 1 265 . 1 . 1 31 31 PRO HD3 H 1 3.733 0.000 . 1 . . . . A 31 PRO HD3 . 34908 1 266 . 1 . 1 31 31 PRO CA C 13 63.988 0.143 . 1 . . . . A 31 PRO CA . 34908 1 267 . 1 . 1 31 31 PRO CB C 13 35.611 0.072 . 1 . . . . A 31 PRO CB . 34908 1 268 . 1 . 1 31 31 PRO CD C 13 50.573 0.011 . 1 . . . . A 31 PRO CD . 34908 1 269 . 1 . 1 32 32 ASP H H 1 7.530 0.004 . 1 . . . . A 32 ASP H . 34908 1 270 . 1 . 1 32 32 ASP HA H 1 4.952 0.006 . 1 . . . . A 32 ASP HA . 34908 1 271 . 1 . 1 32 32 ASP HB2 H 1 2.898 0.005 . 1 . . . . A 32 ASP HB2 . 34908 1 272 . 1 . 1 32 32 ASP HB3 H 1 2.467 0.019 . 1 . . . . A 32 ASP HB3 . 34908 1 273 . 1 . 1 32 32 ASP CA C 13 52.460 0.062 . 1 . . . . A 32 ASP CA . 34908 1 274 . 1 . 1 32 32 ASP CB C 13 42.882 0.070 . 1 . . . . A 32 ASP CB . 34908 1 275 . 1 . 1 32 32 ASP N N 15 116.066 0.002 . 1 . . . . A 32 ASP N . 34908 1 276 . 1 . 1 33 33 LEU H H 1 9.074 0.010 . 1 . . . . A 33 LEU H . 34908 1 277 . 1 . 1 33 33 LEU HA H 1 3.835 0.015 . 1 . . . . A 33 LEU HA . 34908 1 278 . 1 . 1 33 33 LEU HB2 H 1 1.821 0.039 . 1 . . . . A 33 LEU HB2 . 34908 1 279 . 1 . 1 33 33 LEU HB3 H 1 1.550 0.028 . 1 . . . . A 33 LEU HB3 . 34908 1 280 . 1 . 1 33 33 LEU HG H 1 1.876 0.004 . 1 . . . . A 33 LEU HG . 34908 1 281 . 1 . 1 33 33 LEU HD11 H 1 0.838 0.006 . 2 . . . . A 33 LEU HD11 . 34908 1 282 . 1 . 1 33 33 LEU HD12 H 1 0.838 0.006 . 2 . . . . A 33 LEU HD12 . 34908 1 283 . 1 . 1 33 33 LEU HD13 H 1 0.838 0.006 . 2 . . . . A 33 LEU HD13 . 34908 1 284 . 1 . 1 33 33 LEU HD21 H 1 0.755 0.005 . 2 . . . . A 33 LEU HD21 . 34908 1 285 . 1 . 1 33 33 LEU HD22 H 1 0.755 0.005 . 2 . . . . A 33 LEU HD22 . 34908 1 286 . 1 . 1 33 33 LEU HD23 H 1 0.755 0.005 . 2 . . . . A 33 LEU HD23 . 34908 1 287 . 1 . 1 33 33 LEU CA C 13 59.573 0.211 . 1 . . . . A 33 LEU CA . 34908 1 288 . 1 . 1 33 33 LEU CB C 13 42.275 0.032 . 1 . . . . A 33 LEU CB . 34908 1 289 . 1 . 1 33 33 LEU CG C 13 26.910 0.033 . 1 . . . . A 33 LEU CG . 34908 1 290 . 1 . 1 33 33 LEU CD1 C 13 25.807 0.025 . 1 . . . . A 33 LEU CD1 . 34908 1 291 . 1 . 1 33 33 LEU CD2 C 13 23.827 0.093 . 1 . . . . A 33 LEU CD2 . 34908 1 292 . 1 . 1 33 33 LEU N N 15 125.925 0.026 . 1 . . . . A 33 LEU N . 34908 1 293 . 1 . 1 34 34 VAL H H 1 8.165 0.020 . 1 . . . . A 34 VAL H . 34908 1 294 . 1 . 1 34 34 VAL HA H 1 3.621 0.043 . 1 . . . . A 34 VAL HA . 34908 1 295 . 1 . 1 34 34 VAL HB H 1 2.312 0.012 . 1 . . . . A 34 VAL HB . 34908 1 296 . 1 . 1 34 34 VAL HG11 H 1 1.147 0.021 . 2 . . . . A 34 VAL HG11 . 34908 1 297 . 1 . 1 34 34 VAL HG12 H 1 1.147 0.021 . 2 . . . . A 34 VAL HG12 . 34908 1 298 . 1 . 1 34 34 VAL HG13 H 1 1.147 0.021 . 2 . . . . A 34 VAL HG13 . 34908 1 299 . 1 . 1 34 34 VAL HG21 H 1 0.989 0.004 . 2 . . . . A 34 VAL HG21 . 34908 1 300 . 1 . 1 34 34 VAL HG22 H 1 0.989 0.004 . 2 . . . . A 34 VAL HG22 . 34908 1 301 . 1 . 1 34 34 VAL HG23 H 1 0.989 0.004 . 2 . . . . A 34 VAL HG23 . 34908 1 302 . 1 . 1 34 34 VAL CA C 13 67.000 0.080 . 1 . . . . A 34 VAL CA . 34908 1 303 . 1 . 1 34 34 VAL CB C 13 31.806 0.051 . 1 . . . . A 34 VAL CB . 34908 1 304 . 1 . 1 34 34 VAL CG1 C 13 24.035 0.052 . 1 . . . . A 34 VAL CG1 . 34908 1 305 . 1 . 1 34 34 VAL CG2 C 13 22.737 0.258 . 1 . . . . A 34 VAL CG2 . 34908 1 306 . 1 . 1 34 34 VAL N N 15 121.227 0.021 . 1 . . . . A 34 VAL N . 34908 1 307 . 1 . 1 35 35 GLU H H 1 8.237 0.004 . 1 . . . . A 35 GLU H . 34908 1 308 . 1 . 1 35 35 GLU HA H 1 3.921 0.013 . 1 . . . . A 35 GLU HA . 34908 1 309 . 1 . 1 35 35 GLU CA C 13 59.428 0.043 . 1 . . . . A 35 GLU CA . 34908 1 310 . 1 . 1 35 35 GLU N N 15 120.804 0.000 . 1 . . . . A 35 GLU N . 34908 1 311 . 1 . 1 36 36 PHE H H 1 8.012 0.009 . 1 . . . . A 36 PHE H . 34908 1 312 . 1 . 1 36 36 PHE HA H 1 4.356 0.003 . 1 . . . . A 36 PHE HA . 34908 1 313 . 1 . 1 36 36 PHE HB2 H 1 3.231 0.009 . 1 . . . . A 36 PHE HB2 . 34908 1 314 . 1 . 1 36 36 PHE HB3 H 1 2.794 0.007 . 1 . . . . A 36 PHE HB3 . 34908 1 315 . 1 . 1 36 36 PHE CA C 13 61.500 0.090 . 1 . . . . A 36 PHE CA . 34908 1 316 . 1 . 1 36 36 PHE CB C 13 39.833 0.156 . 1 . . . . A 36 PHE CB . 34908 1 317 . 1 . 1 36 36 PHE N N 15 116.846 0.013 . 1 . . . . A 36 PHE N . 34908 1 318 . 1 . 1 37 37 ALA H H 1 7.954 0.008 . 1 . . . . A 37 ALA H . 34908 1 319 . 1 . 1 37 37 ALA HA H 1 3.733 0.010 . 1 . . . . A 37 ALA HA . 34908 1 320 . 1 . 1 37 37 ALA HB1 H 1 0.611 0.004 . 1 . . . . A 37 ALA HB1 . 34908 1 321 . 1 . 1 37 37 ALA HB2 H 1 0.611 0.004 . 1 . . . . A 37 ALA HB2 . 34908 1 322 . 1 . 1 37 37 ALA HB3 H 1 0.611 0.004 . 1 . . . . A 37 ALA HB3 . 34908 1 323 . 1 . 1 37 37 ALA CA C 13 55.684 0.067 . 1 . . . . A 37 ALA CA . 34908 1 324 . 1 . 1 37 37 ALA CB C 13 16.310 0.047 . 1 . . . . A 37 ALA CB . 34908 1 325 . 1 . 1 37 37 ALA N N 15 120.724 0.024 . 1 . . . . A 37 ALA N . 34908 1 326 . 1 . 1 38 38 VAL H H 1 8.202 0.013 . 1 . . . . A 38 VAL H . 34908 1 327 . 1 . 1 38 38 VAL HA H 1 3.366 0.006 . 1 . . . . A 38 VAL HA . 34908 1 328 . 1 . 1 38 38 VAL HB H 1 2.184 0.017 . 1 . . . . A 38 VAL HB . 34908 1 329 . 1 . 1 38 38 VAL HG11 H 1 0.951 0.012 . 2 . . . . A 38 VAL HG11 . 34908 1 330 . 1 . 1 38 38 VAL HG12 H 1 0.951 0.012 . 2 . . . . A 38 VAL HG12 . 34908 1 331 . 1 . 1 38 38 VAL HG13 H 1 0.951 0.012 . 2 . . . . A 38 VAL HG13 . 34908 1 332 . 1 . 1 38 38 VAL HG21 H 1 0.880 0.008 . 2 . . . . A 38 VAL HG21 . 34908 1 333 . 1 . 1 38 38 VAL HG22 H 1 0.880 0.008 . 2 . . . . A 38 VAL HG22 . 34908 1 334 . 1 . 1 38 38 VAL HG23 H 1 0.880 0.008 . 2 . . . . A 38 VAL HG23 . 34908 1 335 . 1 . 1 38 38 VAL CA C 13 68.531 0.145 . 1 . . . . A 38 VAL CA . 34908 1 336 . 1 . 1 38 38 VAL CB C 13 32.965 0.182 . 1 . . . . A 38 VAL CB . 34908 1 337 . 1 . 1 38 38 VAL CG1 C 13 20.870 0.000 . 1 . . . . A 38 VAL CG1 . 34908 1 338 . 1 . 1 38 38 VAL CG2 C 13 21.690 0.025 . 1 . . . . A 38 VAL CG2 . 34908 1 339 . 1 . 1 38 38 VAL N N 15 117.592 0.009 . 1 . . . . A 38 VAL N . 34908 1 340 . 1 . 1 39 39 GLU H H 1 7.830 0.011 . 1 . . . . A 39 GLU H . 34908 1 341 . 1 . 1 39 39 GLU HA H 1 3.876 0.018 . 1 . . . . A 39 GLU HA . 34908 1 342 . 1 . 1 39 39 GLU HB2 H 1 2.073 0.031 . 1 . . . . A 39 GLU HB2 . 34908 1 343 . 1 . 1 39 39 GLU HB3 H 1 1.999 0.031 . 1 . . . . A 39 GLU HB3 . 34908 1 344 . 1 . 1 39 39 GLU HG2 H 1 2.281 0.007 . 2 . . . . A 39 GLU HG2 . 34908 1 345 . 1 . 1 39 39 GLU HG3 H 1 2.281 0.007 . 2 . . . . A 39 GLU HG3 . 34908 1 346 . 1 . 1 39 39 GLU CA C 13 59.703 0.053 . 1 . . . . A 39 GLU CA . 34908 1 347 . 1 . 1 39 39 GLU CB C 13 29.589 0.073 . 1 . . . . A 39 GLU CB . 34908 1 348 . 1 . 1 39 39 GLU CG C 13 35.919 0.278 . 1 . . . . A 39 GLU CG . 34908 1 349 . 1 . 1 39 39 GLU N N 15 121.474 0.045 . 1 . . . . A 39 GLU N . 34908 1 350 . 1 . 1 40 40 TYR H H 1 8.939 0.004 . 1 . . . . A 40 TYR H . 34908 1 351 . 1 . 1 40 40 TYR HA H 1 3.539 0.004 . 1 . . . . A 40 TYR HA . 34908 1 352 . 1 . 1 40 40 TYR HB2 H 1 2.272 0.002 . 1 . . . . A 40 TYR HB2 . 34908 1 353 . 1 . 1 40 40 TYR HB3 H 1 2.173 0.011 . 1 . . . . A 40 TYR HB3 . 34908 1 354 . 1 . 1 40 40 TYR CA C 13 61.995 0.110 . 1 . . . . A 40 TYR CA . 34908 1 355 . 1 . 1 40 40 TYR CB C 13 38.950 0.089 . 1 . . . . A 40 TYR CB . 34908 1 356 . 1 . 1 40 40 TYR N N 15 120.686 0.058 . 1 . . . . A 40 TYR N . 34908 1 357 . 1 . 1 41 41 PHE H H 1 8.737 0.004 . 1 . . . . A 41 PHE H . 34908 1 358 . 1 . 1 41 41 PHE HA H 1 4.113 0.006 . 1 . . . . A 41 PHE HA . 34908 1 359 . 1 . 1 41 41 PHE HB2 H 1 3.150 0.008 . 1 . . . . A 41 PHE HB2 . 34908 1 360 . 1 . 1 41 41 PHE HB3 H 1 2.742 0.008 . 1 . . . . A 41 PHE HB3 . 34908 1 361 . 1 . 1 41 41 PHE CA C 13 62.791 0.092 . 1 . . . . A 41 PHE CA . 34908 1 362 . 1 . 1 41 41 PHE CB C 13 38.033 0.078 . 1 . . . . A 41 PHE CB . 34908 1 363 . 1 . 1 41 41 PHE N N 15 115.524 0.015 . 1 . . . . A 41 PHE N . 34908 1 364 . 1 . 1 42 42 THR H H 1 8.016 0.010 . 1 . . . . A 42 THR H . 34908 1 365 . 1 . 1 42 42 THR HA H 1 3.727 0.008 . 1 . . . . A 42 THR HA . 34908 1 366 . 1 . 1 42 42 THR HB H 1 4.240 0.006 . 1 . . . . A 42 THR HB . 34908 1 367 . 1 . 1 42 42 THR HG21 H 1 1.175 0.008 . 1 . . . . A 42 THR HG21 . 34908 1 368 . 1 . 1 42 42 THR HG22 H 1 1.175 0.008 . 1 . . . . A 42 THR HG22 . 34908 1 369 . 1 . 1 42 42 THR HG23 H 1 1.175 0.008 . 1 . . . . A 42 THR HG23 . 34908 1 370 . 1 . 1 42 42 THR CA C 13 67.893 0.176 . 1 . . . . A 42 THR CA . 34908 1 371 . 1 . 1 42 42 THR CB C 13 68.166 0.024 . 1 . . . . A 42 THR CB . 34908 1 372 . 1 . 1 42 42 THR CG2 C 13 21.288 0.059 . 1 . . . . A 42 THR CG2 . 34908 1 373 . 1 . 1 42 42 THR N N 15 117.076 0.032 . 1 . . . . A 42 THR N . 34908 1 374 . 1 . 1 43 43 ARG H H 1 7.859 0.018 . 1 . . . . A 43 ARG H . 34908 1 375 . 1 . 1 43 43 ARG N N 15 121.893 0.034 . 1 . . . . A 43 ARG N . 34908 1 376 . 1 . 1 44 44 LEU H H 1 7.430 0.010 . 1 . . . . A 44 LEU H . 34908 1 377 . 1 . 1 44 44 LEU HA H 1 4.309 0.005 . 1 . . . . A 44 LEU HA . 34908 1 378 . 1 . 1 44 44 LEU HB2 H 1 2.072 0.006 . 1 . . . . A 44 LEU HB2 . 34908 1 379 . 1 . 1 44 44 LEU HB3 H 1 2.000 0.008 . 1 . . . . A 44 LEU HB3 . 34908 1 380 . 1 . 1 44 44 LEU HG H 1 1.863 0.004 . 1 . . . . A 44 LEU HG . 34908 1 381 . 1 . 1 44 44 LEU HD11 H 1 1.109 0.002 . 2 . . . . A 44 LEU HD11 . 34908 1 382 . 1 . 1 44 44 LEU HD12 H 1 1.109 0.002 . 2 . . . . A 44 LEU HD12 . 34908 1 383 . 1 . 1 44 44 LEU HD13 H 1 1.109 0.002 . 2 . . . . A 44 LEU HD13 . 34908 1 384 . 1 . 1 44 44 LEU HD21 H 1 0.986 0.006 . 2 . . . . A 44 LEU HD21 . 34908 1 385 . 1 . 1 44 44 LEU HD22 H 1 0.986 0.006 . 2 . . . . A 44 LEU HD22 . 34908 1 386 . 1 . 1 44 44 LEU HD23 H 1 0.986 0.006 . 2 . . . . A 44 LEU HD23 . 34908 1 387 . 1 . 1 44 44 LEU CA C 13 57.962 0.018 . 1 . . . . A 44 LEU CA . 34908 1 388 . 1 . 1 44 44 LEU CB C 13 42.680 0.063 . 1 . . . . A 44 LEU CB . 34908 1 389 . 1 . 1 44 44 LEU CG C 13 27.079 0.000 . 1 . . . . A 44 LEU CG . 34908 1 390 . 1 . 1 44 44 LEU CD1 C 13 26.205 0.078 . 1 . . . . A 44 LEU CD1 . 34908 1 391 . 1 . 1 44 44 LEU CD2 C 13 26.625 0.082 . 1 . . . . A 44 LEU CD2 . 34908 1 392 . 1 . 1 44 44 LEU N N 15 119.704 0.035 . 1 . . . . A 44 LEU N . 34908 1 393 . 1 . 1 45 45 ARG H H 1 7.935 0.017 . 1 . . . . A 45 ARG H . 34908 1 394 . 1 . 1 45 45 ARG N N 15 119.789 0.000 . 1 . . . . A 45 ARG N . 34908 1 395 . 1 . 1 46 46 GLU H H 1 7.998 0.010 . 1 . . . . A 46 GLU H . 34908 1 396 . 1 . 1 46 46 GLU HA H 1 4.191 0.006 . 1 . . . . A 46 GLU HA . 34908 1 397 . 1 . 1 46 46 GLU HB2 H 1 2.176 0.007 . 1 . . . . A 46 GLU HB2 . 34908 1 398 . 1 . 1 46 46 GLU HB3 H 1 1.942 0.002 . 1 . . . . A 46 GLU HB3 . 34908 1 399 . 1 . 1 46 46 GLU HG2 H 1 2.525 0.000 . 2 . . . . A 46 GLU HG2 . 34908 1 400 . 1 . 1 46 46 GLU HG3 H 1 2.525 0.000 . 2 . . . . A 46 GLU HG3 . 34908 1 401 . 1 . 1 46 46 GLU CA C 13 57.830 0.000 . 1 . . . . A 46 GLU CA . 34908 1 402 . 1 . 1 46 46 GLU CB C 13 29.481 0.103 . 1 . . . . A 46 GLU CB . 34908 1 403 . 1 . 1 46 46 GLU CG C 13 36.441 0.000 . 1 . . . . A 46 GLU CG . 34908 1 404 . 1 . 1 46 46 GLU N N 15 117.902 0.022 . 1 . . . . A 46 GLU N . 34908 1 405 . 1 . 1 47 47 ALA H H 1 7.689 0.009 . 1 . . . . A 47 ALA H . 34908 1 406 . 1 . 1 47 47 ALA HA H 1 4.235 0.008 . 1 . . . . A 47 ALA HA . 34908 1 407 . 1 . 1 47 47 ALA HB1 H 1 1.420 0.005 . 1 . . . . A 47 ALA HB1 . 34908 1 408 . 1 . 1 47 47 ALA HB2 H 1 1.420 0.005 . 1 . . . . A 47 ALA HB2 . 34908 1 409 . 1 . 1 47 47 ALA HB3 H 1 1.420 0.005 . 1 . . . . A 47 ALA HB3 . 34908 1 410 . 1 . 1 47 47 ALA CA C 13 53.011 0.024 . 1 . . . . A 47 ALA CA . 34908 1 411 . 1 . 1 47 47 ALA CB C 13 18.693 0.010 . 1 . . . . A 47 ALA CB . 34908 1 412 . 1 . 1 47 47 ALA N N 15 120.880 0.006 . 1 . . . . A 47 ALA N . 34908 1 413 . 1 . 1 48 48 ARG H H 1 7.470 0.012 . 1 . . . . A 48 ARG H . 34908 1 414 . 1 . 1 48 48 ARG HA H 1 4.240 0.004 . 1 . . . . A 48 ARG HA . 34908 1 415 . 1 . 1 48 48 ARG HB2 H 1 1.929 0.002 . 1 . . . . A 48 ARG HB2 . 34908 1 416 . 1 . 1 48 48 ARG HB3 H 1 1.824 0.001 . 1 . . . . A 48 ARG HB3 . 34908 1 417 . 1 . 1 48 48 ARG HG2 H 1 1.808 0.005 . 1 . . . . A 48 ARG HG2 . 34908 1 418 . 1 . 1 48 48 ARG HG3 H 1 1.728 0.003 . 1 . . . . A 48 ARG HG3 . 34908 1 419 . 1 . 1 48 48 ARG HD2 H 1 3.190 0.017 . 2 . . . . A 48 ARG HD2 . 34908 1 420 . 1 . 1 48 48 ARG HD3 H 1 3.190 0.017 . 2 . . . . A 48 ARG HD3 . 34908 1 421 . 1 . 1 48 48 ARG CA C 13 56.520 0.127 . 1 . . . . A 48 ARG CA . 34908 1 422 . 1 . 1 48 48 ARG CB C 13 30.924 0.108 . 1 . . . . A 48 ARG CB . 34908 1 423 . 1 . 1 48 48 ARG CG C 13 26.817 0.054 . 1 . . . . A 48 ARG CG . 34908 1 424 . 1 . 1 48 48 ARG CD C 13 44.044 0.049 . 1 . . . . A 48 ARG CD . 34908 1 425 . 1 . 1 48 48 ARG N N 15 117.602 0.005 . 1 . . . . A 48 ARG N . 34908 1 426 . 1 . 1 49 49 ALA H H 1 7.937 0.009 . 1 . . . . A 49 ALA H . 34908 1 427 . 1 . 1 49 49 ALA HA H 1 4.572 0.002 . 1 . . . . A 49 ALA HA . 34908 1 428 . 1 . 1 49 49 ALA HB1 H 1 1.367 0.003 . 1 . . . . A 49 ALA HB1 . 34908 1 429 . 1 . 1 49 49 ALA HB2 H 1 1.367 0.003 . 1 . . . . A 49 ALA HB2 . 34908 1 430 . 1 . 1 49 49 ALA HB3 H 1 1.367 0.003 . 1 . . . . A 49 ALA HB3 . 34908 1 431 . 1 . 1 49 49 ALA CA C 13 50.677 0.034 . 1 . . . . A 49 ALA CA . 34908 1 432 . 1 . 1 49 49 ALA CB C 13 18.104 0.014 . 1 . . . . A 49 ALA CB . 34908 1 433 . 1 . 1 49 49 ALA N N 15 125.709 0.007 . 1 . . . . A 49 ALA N . 34908 1 434 . 1 . 1 50 50 PRO HA H 1 4.412 0.009 . 1 . . . . A 50 PRO HA . 34908 1 435 . 1 . 1 50 50 PRO HB2 H 1 2.297 0.001 . 1 . . . . A 50 PRO HB2 . 34908 1 436 . 1 . 1 50 50 PRO HB3 H 1 1.944 0.008 . 1 . . . . A 50 PRO HB3 . 34908 1 437 . 1 . 1 50 50 PRO HG2 H 1 2.025 0.001 . 1 . . . . A 50 PRO HG2 . 34908 1 438 . 1 . 1 50 50 PRO HG3 H 1 2.018 0.002 . 1 . . . . A 50 PRO HG3 . 34908 1 439 . 1 . 1 50 50 PRO HD2 H 1 3.786 0.002 . 1 . . . . A 50 PRO HD2 . 34908 1 440 . 1 . 1 50 50 PRO HD3 H 1 3.622 0.015 . 1 . . . . A 50 PRO HD3 . 34908 1 441 . 1 . 1 50 50 PRO CA C 13 63.095 0.150 . 1 . . . . A 50 PRO CA . 34908 1 442 . 1 . 1 50 50 PRO CB C 13 32.027 0.063 . 1 . . . . A 50 PRO CB . 34908 1 443 . 1 . 1 50 50 PRO CG C 13 27.479 0.080 . 1 . . . . A 50 PRO CG . 34908 1 444 . 1 . 1 50 50 PRO CD C 13 50.437 0.020 . 1 . . . . A 50 PRO CD . 34908 1 445 . 1 . 1 51 51 ALA H H 1 8.425 0.003 . 1 . . . . A 51 ALA H . 34908 1 446 . 1 . 1 51 51 ALA HA H 1 4.347 0.026 . 1 . . . . A 51 ALA HA . 34908 1 447 . 1 . 1 51 51 ALA HB1 H 1 1.399 0.007 . 1 . . . . A 51 ALA HB1 . 34908 1 448 . 1 . 1 51 51 ALA HB2 H 1 1.399 0.007 . 1 . . . . A 51 ALA HB2 . 34908 1 449 . 1 . 1 51 51 ALA HB3 H 1 1.399 0.007 . 1 . . . . A 51 ALA HB3 . 34908 1 450 . 1 . 1 51 51 ALA CA C 13 52.531 0.050 . 1 . . . . A 51 ALA CA . 34908 1 451 . 1 . 1 51 51 ALA CB C 13 19.367 0.003 . 1 . . . . A 51 ALA CB . 34908 1 452 . 1 . 1 51 51 ALA N N 15 125.078 0.001 . 1 . . . . A 51 ALA N . 34908 1 453 . 1 . 1 52 52 SER H H 1 7.879 0.003 . 1 . . . . A 52 SER H . 34908 1 454 . 1 . 1 52 52 SER HA H 1 4.227 0.000 . 1 . . . . A 52 SER HA . 34908 1 455 . 1 . 1 52 52 SER HB2 H 1 3.822 0.003 . 2 . . . . A 52 SER HB2 . 34908 1 456 . 1 . 1 52 52 SER HB3 H 1 3.822 0.003 . 2 . . . . A 52 SER HB3 . 34908 1 457 . 1 . 1 52 52 SER CA C 13 59.828 0.000 . 1 . . . . A 52 SER CA . 34908 1 458 . 1 . 1 52 52 SER CB C 13 64.951 0.000 . 1 . . . . A 52 SER CB . 34908 1 459 . 1 . 1 52 52 SER N N 15 120.645 0.000 . 1 . . . . A 52 SER N . 34908 1 460 . 2 . 1 1 1 GLY HA2 H 1 3.800 0.000 . 2 . . . . B 1 GLY HA2 . 34908 1 461 . 2 . 1 1 1 GLY HA3 H 1 3.800 0.000 . 2 . . . . B 1 GLY HA3 . 34908 1 462 . 2 . 1 1 1 GLY CA C 13 43.483 0.000 . 1 . . . . B 1 GLY CA . 34908 1 463 . 2 . 1 2 2 ALA H H 1 8.189 0.000 . 1 . . . . B 2 ALA H . 34908 1 464 . 2 . 1 2 2 ALA HA H 1 4.334 0.002 . 1 . . . . B 2 ALA HA . 34908 1 465 . 2 . 1 2 2 ALA HB1 H 1 1.376 0.013 . 1 . . . . B 2 ALA HB1 . 34908 1 466 . 2 . 1 2 2 ALA HB2 H 1 1.376 0.013 . 1 . . . . B 2 ALA HB2 . 34908 1 467 . 2 . 1 2 2 ALA HB3 H 1 1.376 0.013 . 1 . . . . B 2 ALA HB3 . 34908 1 468 . 2 . 1 2 2 ALA CA C 13 52.546 0.000 . 1 . . . . B 2 ALA CA . 34908 1 469 . 2 . 1 2 2 ALA CB C 13 19.408 0.000 . 1 . . . . B 2 ALA CB . 34908 1 470 . 2 . 1 2 2 ALA N N 15 123.700 0.000 . 1 . . . . B 2 ALA N . 34908 1 471 . 2 . 1 3 3 MET H H 1 8.499 0.005 . 1 . . . . B 3 MET H . 34908 1 472 . 2 . 1 3 3 MET HA H 1 4.442 0.021 . 1 . . . . B 3 MET HA . 34908 1 473 . 2 . 1 3 3 MET HB2 H 1 2.531 0.017 . 1 . . . . B 3 MET HB2 . 34908 1 474 . 2 . 1 3 3 MET HB3 H 1 2.585 0.005 . 1 . . . . B 3 MET HB3 . 34908 1 475 . 2 . 1 3 3 MET HG2 H 1 2.001 0.002 . 1 . . . . B 3 MET HG2 . 34908 1 476 . 2 . 1 3 3 MET HG3 H 1 2.058 0.017 . 1 . . . . B 3 MET HG3 . 34908 1 477 . 2 . 1 3 3 MET CA C 13 55.577 0.088 . 1 . . . . B 3 MET CA . 34908 1 478 . 2 . 1 3 3 MET CB C 13 32.282 0.277 . 1 . . . . B 3 MET CB . 34908 1 479 . 2 . 1 3 3 MET CG C 13 32.818 0.044 . 1 . . . . B 3 MET CG . 34908 1 480 . 2 . 1 3 3 MET N N 15 119.676 0.034 . 1 . . . . B 3 MET N . 34908 1 481 . 2 . 1 4 4 GLY H H 1 8.395 0.003 . 1 . . . . B 4 GLY H . 34908 1 482 . 2 . 1 4 4 GLY HA2 H 1 3.936 0.009 . 2 . . . . B 4 GLY HA2 . 34908 1 483 . 2 . 1 4 4 GLY HA3 H 1 3.936 0.009 . 2 . . . . B 4 GLY HA3 . 34908 1 484 . 2 . 1 4 4 GLY CA C 13 45.411 0.029 . 1 . . . . B 4 GLY CA . 34908 1 485 . 2 . 1 4 4 GLY N N 15 109.982 0.007 . 1 . . . . B 4 GLY N . 34908 1 486 . 2 . 1 5 5 MET H H 1 8.209 0.008 . 1 . . . . B 5 MET H . 34908 1 487 . 2 . 1 5 5 MET HA H 1 4.485 0.016 . 1 . . . . B 5 MET HA . 34908 1 488 . 2 . 1 5 5 MET HB2 H 1 2.475 0.010 . 1 . . . . B 5 MET HB2 . 34908 1 489 . 2 . 1 5 5 MET HB3 H 1 2.515 0.020 . 1 . . . . B 5 MET HB3 . 34908 1 490 . 2 . 1 5 5 MET HG2 H 1 1.949 0.004 . 1 . . . . B 5 MET HG2 . 34908 1 491 . 2 . 1 5 5 MET HG3 H 1 2.040 0.007 . 1 . . . . B 5 MET HG3 . 34908 1 492 . 2 . 1 5 5 MET CA C 13 55.325 0.048 . 1 . . . . B 5 MET CA . 34908 1 493 . 2 . 1 5 5 MET CB C 13 32.112 0.091 . 1 . . . . B 5 MET CB . 34908 1 494 . 2 . 1 5 5 MET CG C 13 33.022 0.099 . 1 . . . . B 5 MET CG . 34908 1 495 . 2 . 1 5 5 MET N N 15 119.734 0.026 . 1 . . . . B 5 MET N . 34908 1 496 . 2 . 1 6 6 SER H H 1 8.322 0.014 . 1 . . . . B 6 SER H . 34908 1 497 . 2 . 1 6 6 SER HA H 1 4.413 0.026 . 1 . . . . B 6 SER HA . 34908 1 498 . 2 . 1 6 6 SER HB2 H 1 3.798 0.015 . 2 . . . . B 6 SER HB2 . 34908 1 499 . 2 . 1 6 6 SER HB3 H 1 3.798 0.015 . 2 . . . . B 6 SER HB3 . 34908 1 500 . 2 . 1 6 6 SER CA C 13 58.471 0.016 . 1 . . . . B 6 SER CA . 34908 1 501 . 2 . 1 6 6 SER CB C 13 63.837 0.019 . 1 . . . . B 6 SER CB . 34908 1 502 . 2 . 1 6 6 SER N N 15 116.731 0.015 . 1 . . . . B 6 SER N . 34908 1 503 . 2 . 1 7 7 HIS H H 1 8.342 0.000 . 1 . . . . B 7 HIS H . 34908 1 504 . 2 . 1 7 7 HIS HA H 1 4.620 0.004 . 1 . . . . B 7 HIS HA . 34908 1 505 . 2 . 1 7 7 HIS HB2 H 1 3.015 0.006 . 1 . . . . B 7 HIS HB2 . 34908 1 506 . 2 . 1 7 7 HIS HB3 H 1 3.072 0.004 . 1 . . . . B 7 HIS HB3 . 34908 1 507 . 2 . 1 7 7 HIS CA C 13 56.117 0.051 . 1 . . . . B 7 HIS CA . 34908 1 508 . 2 . 1 7 7 HIS CB C 13 30.777 0.060 . 1 . . . . B 7 HIS CB . 34908 1 509 . 2 . 1 7 7 HIS N N 15 120.800 0.000 . 1 . . . . B 7 HIS N . 34908 1 510 . 2 . 1 8 8 ILE H H 1 7.981 0.006 . 1 . . . . B 8 ILE H . 34908 1 511 . 2 . 1 8 8 ILE HA H 1 4.022 0.006 . 1 . . . . B 8 ILE HA . 34908 1 512 . 2 . 1 8 8 ILE HB H 1 1.741 0.005 . 1 . . . . B 8 ILE HB . 34908 1 513 . 2 . 1 8 8 ILE HG12 H 1 1.068 0.023 . 1 . . . . B 8 ILE HG12 . 34908 1 514 . 2 . 1 8 8 ILE HG13 H 1 1.343 0.007 . 1 . . . . B 8 ILE HG13 . 34908 1 515 . 2 . 1 8 8 ILE HG21 H 1 0.763 0.004 . 1 . . . . B 8 ILE HG21 . 34908 1 516 . 2 . 1 8 8 ILE HG22 H 1 0.763 0.004 . 1 . . . . B 8 ILE HG22 . 34908 1 517 . 2 . 1 8 8 ILE HG23 H 1 0.763 0.004 . 1 . . . . B 8 ILE HG23 . 34908 1 518 . 2 . 1 8 8 ILE HD11 H 1 0.748 0.003 . 1 . . . . B 8 ILE HD11 . 34908 1 519 . 2 . 1 8 8 ILE HD12 H 1 0.748 0.003 . 1 . . . . B 8 ILE HD12 . 34908 1 520 . 2 . 1 8 8 ILE HD13 H 1 0.748 0.003 . 1 . . . . B 8 ILE HD13 . 34908 1 521 . 2 . 1 8 8 ILE CA C 13 60.424 0.143 . 1 . . . . B 8 ILE CA . 34908 1 522 . 2 . 1 8 8 ILE CB C 13 38.056 0.087 . 1 . . . . B 8 ILE CB . 34908 1 523 . 2 . 1 8 8 ILE CG1 C 13 27.402 0.108 . 1 . . . . B 8 ILE CG1 . 34908 1 524 . 2 . 1 8 8 ILE CG2 C 13 28.025 0.000 . 1 . . . . B 8 ILE CG2 . 34908 1 525 . 2 . 1 8 8 ILE CD1 C 13 13.180 0.173 . 1 . . . . B 8 ILE CD1 . 34908 1 526 . 2 . 1 8 8 ILE N N 15 123.316 0.017 . 1 . . . . B 8 ILE N . 34908 1 527 . 2 . 1 9 9 GLN H H 1 8.194 0.008 . 1 . . . . B 9 GLN H . 34908 1 528 . 2 . 1 9 9 GLN HA H 1 4.336 0.007 . 1 . . . . B 9 GLN HA . 34908 1 529 . 2 . 1 9 9 GLN HB2 H 1 1.826 0.009 . 1 . . . . B 9 GLN HB2 . 34908 1 530 . 2 . 1 9 9 GLN HB3 H 1 1.916 0.007 . 1 . . . . B 9 GLN HB3 . 34908 1 531 . 2 . 1 9 9 GLN HG2 H 1 2.167 0.016 . 2 . . . . B 9 GLN HG2 . 34908 1 532 . 2 . 1 9 9 GLN HG3 H 1 2.167 0.016 . 2 . . . . B 9 GLN HG3 . 34908 1 533 . 2 . 1 9 9 GLN CA C 13 54.445 0.049 . 1 . . . . B 9 GLN CA . 34908 1 534 . 2 . 1 9 9 GLN CB C 13 30.372 0.207 . 1 . . . . B 9 GLN CB . 34908 1 535 . 2 . 1 9 9 GLN CG C 13 33.459 0.038 . 1 . . . . B 9 GLN CG . 34908 1 536 . 2 . 1 9 9 GLN N N 15 125.817 0.002 . 1 . . . . B 9 GLN N . 34908 1 537 . 2 . 1 10 10 ILE H H 1 8.514 0.004 . 1 . . . . B 10 ILE H . 34908 1 538 . 2 . 1 10 10 ILE HA H 1 4.151 0.015 . 1 . . . . B 10 ILE HA . 34908 1 539 . 2 . 1 10 10 ILE HB H 1 1.592 0.235 . 1 . . . . B 10 ILE HB . 34908 1 540 . 2 . 1 10 10 ILE HG12 H 1 1.154 0.023 . 1 . . . . B 10 ILE HG12 . 34908 1 541 . 2 . 1 10 10 ILE HG13 H 1 1.487 0.010 . 1 . . . . B 10 ILE HG13 . 34908 1 542 . 2 . 1 10 10 ILE HG21 H 1 0.912 0.011 . 1 . . . . B 10 ILE HG21 . 34908 1 543 . 2 . 1 10 10 ILE HG22 H 1 0.912 0.011 . 1 . . . . B 10 ILE HG22 . 34908 1 544 . 2 . 1 10 10 ILE HG23 H 1 0.912 0.011 . 1 . . . . B 10 ILE HG23 . 34908 1 545 . 2 . 1 10 10 ILE HD11 H 1 0.720 0.013 . 1 . . . . B 10 ILE HD11 . 34908 1 546 . 2 . 1 10 10 ILE HD12 H 1 0.720 0.013 . 1 . . . . B 10 ILE HD12 . 34908 1 547 . 2 . 1 10 10 ILE HD13 H 1 0.720 0.013 . 1 . . . . B 10 ILE HD13 . 34908 1 548 . 2 . 1 10 10 ILE CA C 13 57.610 0.000 . 1 . . . . B 10 ILE CA . 34908 1 549 . 2 . 1 10 10 ILE CG1 C 13 23.956 0.005 . 1 . . . . B 10 ILE CG1 . 34908 1 550 . 2 . 1 10 10 ILE CG2 C 13 17.606 0.034 . 1 . . . . B 10 ILE CG2 . 34908 1 551 . 2 . 1 10 10 ILE CD1 C 13 11.720 0.034 . 1 . . . . B 10 ILE CD1 . 34908 1 552 . 2 . 1 10 10 ILE N N 15 125.207 0.015 . 1 . . . . B 10 ILE N . 34908 1 553 . 2 . 1 13 13 GLY H H 1 8.731 0.019 . 1 . . . . B 13 GLY H . 34908 1 554 . 2 . 1 13 13 GLY HA2 H 1 3.930 0.005 . 2 . . . . B 13 GLY HA2 . 34908 1 555 . 2 . 1 13 13 GLY HA3 H 1 3.930 0.005 . 2 . . . . B 13 GLY HA3 . 34908 1 556 . 2 . 1 13 13 GLY CA C 13 45.370 0.000 . 1 . . . . B 13 GLY CA . 34908 1 557 . 2 . 1 13 13 GLY N N 15 110.375 0.000 . 1 . . . . B 13 GLY N . 34908 1 558 . 2 . 1 14 14 LEU H H 1 7.439 0.013 . 1 . . . . B 14 LEU H . 34908 1 559 . 2 . 1 14 14 LEU HA H 1 4.118 0.014 . 1 . . . . B 14 LEU HA . 34908 1 560 . 2 . 1 14 14 LEU HB2 H 1 1.460 0.020 . 1 . . . . B 14 LEU HB2 . 34908 1 561 . 2 . 1 14 14 LEU HB3 H 1 1.392 0.003 . 1 . . . . B 14 LEU HB3 . 34908 1 562 . 2 . 1 14 14 LEU HG H 1 1.587 0.010 . 1 . . . . B 14 LEU HG . 34908 1 563 . 2 . 1 14 14 LEU HD11 H 1 1.134 0.007 . 2 . . . . B 14 LEU HD11 . 34908 1 564 . 2 . 1 14 14 LEU HD12 H 1 1.134 0.007 . 2 . . . . B 14 LEU HD12 . 34908 1 565 . 2 . 1 14 14 LEU HD13 H 1 1.134 0.007 . 2 . . . . B 14 LEU HD13 . 34908 1 566 . 2 . 1 14 14 LEU HD21 H 1 0.987 0.005 . 2 . . . . B 14 LEU HD21 . 34908 1 567 . 2 . 1 14 14 LEU HD22 H 1 0.987 0.005 . 2 . . . . B 14 LEU HD22 . 34908 1 568 . 2 . 1 14 14 LEU HD23 H 1 0.987 0.005 . 2 . . . . B 14 LEU HD23 . 34908 1 569 . 2 . 1 14 14 LEU CA C 13 58.652 0.209 . 1 . . . . B 14 LEU CA . 34908 1 570 . 2 . 1 14 14 LEU CB C 13 42.523 0.315 . 1 . . . . B 14 LEU CB . 34908 1 571 . 2 . 1 14 14 LEU CG C 13 27.597 0.000 . 1 . . . . B 14 LEU CG . 34908 1 572 . 2 . 1 14 14 LEU CD1 C 13 23.882 0.171 . 1 . . . . B 14 LEU CD1 . 34908 1 573 . 2 . 1 14 14 LEU CD2 C 13 26.501 0.103 . 1 . . . . B 14 LEU CD2 . 34908 1 574 . 2 . 1 14 14 LEU N N 15 121.921 0.021 . 1 . . . . B 14 LEU N . 34908 1 575 . 2 . 1 15 15 THR H H 1 8.569 0.010 . 1 . . . . B 15 THR H . 34908 1 576 . 2 . 1 15 15 THR HA H 1 3.698 0.011 . 1 . . . . B 15 THR HA . 34908 1 577 . 2 . 1 15 15 THR HB H 1 4.184 0.017 . 1 . . . . B 15 THR HB . 34908 1 578 . 2 . 1 15 15 THR HG21 H 1 1.204 0.010 . 1 . . . . B 15 THR HG21 . 34908 1 579 . 2 . 1 15 15 THR HG22 H 1 1.204 0.010 . 1 . . . . B 15 THR HG22 . 34908 1 580 . 2 . 1 15 15 THR HG23 H 1 1.204 0.010 . 1 . . . . B 15 THR HG23 . 34908 1 581 . 2 . 1 15 15 THR CA C 13 66.845 0.060 . 1 . . . . B 15 THR CA . 34908 1 582 . 2 . 1 15 15 THR CB C 13 67.467 0.025 . 1 . . . . B 15 THR CB . 34908 1 583 . 2 . 1 15 15 THR CG2 C 13 22.205 0.044 . 1 . . . . B 15 THR CG2 . 34908 1 584 . 2 . 1 15 15 THR N N 15 111.694 0.017 . 1 . . . . B 15 THR N . 34908 1 585 . 2 . 1 16 16 GLU H H 1 8.833 0.003 . 1 . . . . B 16 GLU H . 34908 1 586 . 2 . 1 16 16 GLU N N 15 122.540 0.036 . 1 . . . . B 16 GLU N . 34908 1 587 . 2 . 1 17 17 LEU H H 1 7.957 0.010 . 1 . . . . B 17 LEU H . 34908 1 588 . 2 . 1 17 17 LEU HA H 1 4.262 0.002 . 1 . . . . B 17 LEU HA . 34908 1 589 . 2 . 1 17 17 LEU HB2 H 1 1.630 0.000 . 1 . . . . B 17 LEU HB2 . 34908 1 590 . 2 . 1 17 17 LEU HB3 H 1 2.146 0.000 . 1 . . . . B 17 LEU HB3 . 34908 1 591 . 2 . 1 17 17 LEU HG H 1 1.931 0.000 . 1 . . . . B 17 LEU HG . 34908 1 592 . 2 . 1 17 17 LEU HD11 H 1 1.052 0.000 . 2 . . . . B 17 LEU HD11 . 34908 1 593 . 2 . 1 17 17 LEU HD12 H 1 1.052 0.000 . 2 . . . . B 17 LEU HD12 . 34908 1 594 . 2 . 1 17 17 LEU HD13 H 1 1.052 0.000 . 2 . . . . B 17 LEU HD13 . 34908 1 595 . 2 . 1 17 17 LEU HD21 H 1 0.990 0.001 . 2 . . . . B 17 LEU HD21 . 34908 1 596 . 2 . 1 17 17 LEU HD22 H 1 0.990 0.001 . 2 . . . . B 17 LEU HD22 . 34908 1 597 . 2 . 1 17 17 LEU HD23 H 1 0.990 0.001 . 2 . . . . B 17 LEU HD23 . 34908 1 598 . 2 . 1 17 17 LEU CA C 13 58.184 0.000 . 1 . . . . B 17 LEU CA . 34908 1 599 . 2 . 1 17 17 LEU CD2 C 13 22.589 0.030 . 1 . . . . B 17 LEU CD2 . 34908 1 600 . 2 . 1 17 17 LEU N N 15 121.600 0.087 . 1 . . . . B 17 LEU N . 34908 1 601 . 2 . 1 18 18 LEU H H 1 8.399 0.007 . 1 . . . . B 18 LEU H . 34908 1 602 . 2 . 1 18 18 LEU HA H 1 3.886 0.020 . 1 . . . . B 18 LEU HA . 34908 1 603 . 2 . 1 18 18 LEU HB2 H 1 1.566 0.000 . 1 . . . . B 18 LEU HB2 . 34908 1 604 . 2 . 1 18 18 LEU HB3 H 1 1.519 0.012 . 1 . . . . B 18 LEU HB3 . 34908 1 605 . 2 . 1 18 18 LEU HG H 1 1.389 0.004 . 1 . . . . B 18 LEU HG . 34908 1 606 . 2 . 1 18 18 LEU HD11 H 1 0.765 0.006 . 2 . . . . B 18 LEU HD11 . 34908 1 607 . 2 . 1 18 18 LEU HD12 H 1 0.765 0.006 . 2 . . . . B 18 LEU HD12 . 34908 1 608 . 2 . 1 18 18 LEU HD13 H 1 0.765 0.006 . 2 . . . . B 18 LEU HD13 . 34908 1 609 . 2 . 1 18 18 LEU HD21 H 1 0.742 0.007 . 2 . . . . B 18 LEU HD21 . 34908 1 610 . 2 . 1 18 18 LEU HD22 H 1 0.742 0.007 . 2 . . . . B 18 LEU HD22 . 34908 1 611 . 2 . 1 18 18 LEU HD23 H 1 0.742 0.007 . 2 . . . . B 18 LEU HD23 . 34908 1 612 . 2 . 1 18 18 LEU CA C 13 57.450 0.092 . 1 . . . . B 18 LEU CA . 34908 1 613 . 2 . 1 18 18 LEU CB C 13 42.150 0.000 . 1 . . . . B 18 LEU CB . 34908 1 614 . 2 . 1 18 18 LEU CG C 13 26.876 0.000 . 1 . . . . B 18 LEU CG . 34908 1 615 . 2 . 1 18 18 LEU CD1 C 13 24.316 0.028 . 1 . . . . B 18 LEU CD1 . 34908 1 616 . 2 . 1 18 18 LEU CD2 C 13 24.888 0.029 . 1 . . . . B 18 LEU CD2 . 34908 1 617 . 2 . 1 18 18 LEU N N 15 116.796 0.018 . 1 . . . . B 18 LEU N . 34908 1 618 . 2 . 1 19 19 GLN H H 1 9.210 0.016 . 1 . . . . B 19 GLN H . 34908 1 619 . 2 . 1 19 19 GLN HA H 1 4.660 0.000 . 1 . . . . B 19 GLN HA . 34908 1 620 . 2 . 1 19 19 GLN HB2 H 1 1.791 0.000 . 2 . . . . B 19 GLN HB2 . 34908 1 621 . 2 . 1 19 19 GLN HB3 H 1 1.791 0.000 . 2 . . . . B 19 GLN HB3 . 34908 1 622 . 2 . 1 19 19 GLN HG2 H 1 2.379 0.000 . 2 . . . . B 19 GLN HG2 . 34908 1 623 . 2 . 1 19 19 GLN HG3 H 1 2.379 0.000 . 2 . . . . B 19 GLN HG3 . 34908 1 624 . 2 . 1 19 19 GLN N N 15 123.675 0.018 . 1 . . . . B 19 GLN N . 34908 1 625 . 2 . 1 20 20 GLY HA2 H 1 4.118 0.000 . 2 . . . . B 20 GLY HA2 . 34908 1 626 . 2 . 1 20 20 GLY HA3 H 1 4.118 0.000 . 2 . . . . B 20 GLY HA3 . 34908 1 627 . 2 . 1 21 21 TYR H H 1 6.994 0.000 . 1 . . . . B 21 TYR H . 34908 1 628 . 2 . 1 21 21 TYR HA H 1 3.629 0.000 . 1 . . . . B 21 TYR HA . 34908 1 629 . 2 . 1 21 21 TYR CA C 13 60.282 0.000 . 1 . . . . B 21 TYR CA . 34908 1 630 . 2 . 1 22 22 THR H H 1 8.000 0.011 . 1 . . . . B 22 THR H . 34908 1 631 . 2 . 1 22 22 THR HA H 1 3.170 0.009 . 1 . . . . B 22 THR HA . 34908 1 632 . 2 . 1 22 22 THR HB H 1 4.189 0.008 . 1 . . . . B 22 THR HB . 34908 1 633 . 2 . 1 22 22 THR HG21 H 1 0.994 0.011 . 1 . . . . B 22 THR HG21 . 34908 1 634 . 2 . 1 22 22 THR HG22 H 1 0.994 0.011 . 1 . . . . B 22 THR HG22 . 34908 1 635 . 2 . 1 22 22 THR HG23 H 1 0.994 0.011 . 1 . . . . B 22 THR HG23 . 34908 1 636 . 2 . 1 22 22 THR CA C 13 68.445 0.069 . 1 . . . . B 22 THR CA . 34908 1 637 . 2 . 1 22 22 THR CB C 13 67.490 0.000 . 1 . . . . B 22 THR CB . 34908 1 638 . 2 . 1 22 22 THR CG2 C 13 22.258 0.249 . 1 . . . . B 22 THR CG2 . 34908 1 639 . 2 . 1 22 22 THR N N 15 115.770 0.000 . 1 . . . . B 22 THR N . 34908 1 640 . 2 . 1 23 23 VAL H H 1 8.708 0.011 . 1 . . . . B 23 VAL H . 34908 1 641 . 2 . 1 23 23 VAL HA H 1 3.354 0.015 . 1 . . . . B 23 VAL HA . 34908 1 642 . 2 . 1 23 23 VAL HB H 1 2.170 0.021 . 1 . . . . B 23 VAL HB . 34908 1 643 . 2 . 1 23 23 VAL HG11 H 1 0.976 0.009 . 2 . . . . B 23 VAL HG11 . 34908 1 644 . 2 . 1 23 23 VAL HG12 H 1 0.976 0.009 . 2 . . . . B 23 VAL HG12 . 34908 1 645 . 2 . 1 23 23 VAL HG13 H 1 0.976 0.009 . 2 . . . . B 23 VAL HG13 . 34908 1 646 . 2 . 1 23 23 VAL HG21 H 1 0.875 0.002 . 2 . . . . B 23 VAL HG21 . 34908 1 647 . 2 . 1 23 23 VAL HG22 H 1 0.875 0.002 . 2 . . . . B 23 VAL HG22 . 34908 1 648 . 2 . 1 23 23 VAL HG23 H 1 0.875 0.002 . 2 . . . . B 23 VAL HG23 . 34908 1 649 . 2 . 1 23 23 VAL CA C 13 67.506 0.267 . 1 . . . . B 23 VAL CA . 34908 1 650 . 2 . 1 23 23 VAL CB C 13 31.777 0.137 . 1 . . . . B 23 VAL CB . 34908 1 651 . 2 . 1 23 23 VAL CG1 C 13 22.805 0.266 . 1 . . . . B 23 VAL CG1 . 34908 1 652 . 2 . 1 23 23 VAL CG2 C 13 21.748 0.108 . 1 . . . . B 23 VAL CG2 . 34908 1 653 . 2 . 1 23 23 VAL N N 15 120.528 0.045 . 1 . . . . B 23 VAL N . 34908 1 654 . 2 . 1 24 24 GLU H H 1 7.115 0.023 . 1 . . . . B 24 GLU H . 34908 1 655 . 2 . 1 24 24 GLU N N 15 117.014 0.025 . 1 . . . . B 24 GLU N . 34908 1 656 . 2 . 1 25 25 VAL H H 1 8.185 0.008 . 1 . . . . B 25 VAL H . 34908 1 657 . 2 . 1 25 25 VAL HA H 1 2.691 0.019 . 1 . . . . B 25 VAL HA . 34908 1 658 . 2 . 1 25 25 VAL HB H 1 1.882 0.008 . 1 . . . . B 25 VAL HB . 34908 1 659 . 2 . 1 25 25 VAL HG11 H 1 0.592 0.015 . 2 . . . . B 25 VAL HG11 . 34908 1 660 . 2 . 1 25 25 VAL HG12 H 1 0.592 0.015 . 2 . . . . B 25 VAL HG12 . 34908 1 661 . 2 . 1 25 25 VAL HG13 H 1 0.592 0.015 . 2 . . . . B 25 VAL HG13 . 34908 1 662 . 2 . 1 25 25 VAL HG21 H 1 0.234 0.005 . 2 . . . . B 25 VAL HG21 . 34908 1 663 . 2 . 1 25 25 VAL HG22 H 1 0.234 0.005 . 2 . . . . B 25 VAL HG22 . 34908 1 664 . 2 . 1 25 25 VAL HG23 H 1 0.234 0.005 . 2 . . . . B 25 VAL HG23 . 34908 1 665 . 2 . 1 25 25 VAL CA C 13 66.426 0.069 . 1 . . . . B 25 VAL CA . 34908 1 666 . 2 . 1 25 25 VAL CB C 13 30.900 0.000 . 1 . . . . B 25 VAL CB . 34908 1 667 . 2 . 1 25 25 VAL CG1 C 13 23.214 0.029 . 1 . . . . B 25 VAL CG1 . 34908 1 668 . 2 . 1 25 25 VAL CG2 C 13 23.405 0.122 . 1 . . . . B 25 VAL CG2 . 34908 1 669 . 2 . 1 25 25 VAL N N 15 120.322 0.014 . 1 . . . . B 25 VAL N . 34908 1 670 . 2 . 1 26 26 LEU H H 1 8.076 0.004 . 1 . . . . B 26 LEU H . 34908 1 671 . 2 . 1 26 26 LEU HA H 1 3.863 0.006 . 1 . . . . B 26 LEU HA . 34908 1 672 . 2 . 1 26 26 LEU HB2 H 1 1.892 0.010 . 1 . . . . B 26 LEU HB2 . 34908 1 673 . 2 . 1 26 26 LEU HB3 H 1 1.199 0.021 . 1 . . . . B 26 LEU HB3 . 34908 1 674 . 2 . 1 26 26 LEU HG H 1 1.939 0.000 . 1 . . . . B 26 LEU HG . 34908 1 675 . 2 . 1 26 26 LEU HD11 H 1 0.713 0.008 . 2 . . . . B 26 LEU HD11 . 34908 1 676 . 2 . 1 26 26 LEU HD12 H 1 0.713 0.008 . 2 . . . . B 26 LEU HD12 . 34908 1 677 . 2 . 1 26 26 LEU HD13 H 1 0.713 0.008 . 2 . . . . B 26 LEU HD13 . 34908 1 678 . 2 . 1 26 26 LEU HD21 H 1 0.653 0.005 . 2 . . . . B 26 LEU HD21 . 34908 1 679 . 2 . 1 26 26 LEU HD22 H 1 0.653 0.005 . 2 . . . . B 26 LEU HD22 . 34908 1 680 . 2 . 1 26 26 LEU HD23 H 1 0.653 0.005 . 2 . . . . B 26 LEU HD23 . 34908 1 681 . 2 . 1 26 26 LEU CA C 13 57.430 0.000 . 1 . . . . B 26 LEU CA . 34908 1 682 . 2 . 1 26 26 LEU CB C 13 41.029 0.102 . 1 . . . . B 26 LEU CB . 34908 1 683 . 2 . 1 26 26 LEU CG C 13 26.900 0.000 . 1 . . . . B 26 LEU CG . 34908 1 684 . 2 . 1 26 26 LEU CD1 C 13 23.066 0.041 . 1 . . . . B 26 LEU CD1 . 34908 1 685 . 2 . 1 26 26 LEU CD2 C 13 26.127 0.036 . 1 . . . . B 26 LEU CD2 . 34908 1 686 . 2 . 1 26 26 LEU N N 15 119.365 0.037 . 1 . . . . B 26 LEU N . 34908 1 687 . 2 . 1 27 27 ARG H H 1 8.354 0.004 . 1 . . . . B 27 ARG H . 34908 1 688 . 2 . 1 27 27 ARG HA H 1 3.940 0.025 . 1 . . . . B 27 ARG HA . 34908 1 689 . 2 . 1 27 27 ARG HB2 H 1 1.665 0.010 . 2 . . . . B 27 ARG HB2 . 34908 1 690 . 2 . 1 27 27 ARG HB3 H 1 1.665 0.010 . 2 . . . . B 27 ARG HB3 . 34908 1 691 . 2 . 1 27 27 ARG HG2 H 1 1.504 0.009 . 2 . . . . B 27 ARG HG2 . 34908 1 692 . 2 . 1 27 27 ARG HG3 H 1 1.504 0.009 . 2 . . . . B 27 ARG HG3 . 34908 1 693 . 2 . 1 27 27 ARG HD2 H 1 3.068 0.006 . 2 . . . . B 27 ARG HD2 . 34908 1 694 . 2 . 1 27 27 ARG HD3 H 1 3.068 0.006 . 2 . . . . B 27 ARG HD3 . 34908 1 695 . 2 . 1 27 27 ARG CA C 13 60.095 0.000 . 1 . . . . B 27 ARG CA . 34908 1 696 . 2 . 1 27 27 ARG CB C 13 27.780 0.000 . 1 . . . . B 27 ARG CB . 34908 1 697 . 2 . 1 27 27 ARG CG C 13 27.476 0.132 . 1 . . . . B 27 ARG CG . 34908 1 698 . 2 . 1 27 27 ARG CD C 13 43.464 0.034 . 1 . . . . B 27 ARG CD . 34908 1 699 . 2 . 1 27 27 ARG N N 15 117.498 0.040 . 1 . . . . B 27 ARG N . 34908 1 700 . 2 . 1 28 28 GLN H H 1 8.423 0.000 . 1 . . . . B 28 GLN H . 34908 1 701 . 2 . 1 28 28 GLN HA H 1 4.056 0.009 . 1 . . . . B 28 GLN HA . 34908 1 702 . 2 . 1 28 28 GLN HB2 H 1 2.065 0.013 . 1 . . . . B 28 GLN HB2 . 34908 1 703 . 2 . 1 28 28 GLN HB3 H 1 2.015 0.000 . 1 . . . . B 28 GLN HB3 . 34908 1 704 . 2 . 1 28 28 GLN HG2 H 1 2.408 0.003 . 1 . . . . B 28 GLN HG2 . 34908 1 705 . 2 . 1 28 28 GLN HG3 H 1 2.306 0.009 . 1 . . . . B 28 GLN HG3 . 34908 1 706 . 2 . 1 28 28 GLN CA C 13 57.980 0.000 . 1 . . . . B 28 GLN CA . 34908 1 707 . 2 . 1 28 28 GLN CB C 13 29.692 0.054 . 1 . . . . B 28 GLN CB . 34908 1 708 . 2 . 1 28 28 GLN CG C 13 36.538 0.035 . 1 . . . . B 28 GLN CG . 34908 1 709 . 2 . 1 28 28 GLN N N 15 114.392 0.000 . 1 . . . . B 28 GLN N . 34908 1 710 . 2 . 1 29 29 GLN H H 1 8.273 0.000 . 1 . . . . B 29 GLN H . 34908 1 711 . 2 . 1 29 29 GLN N N 15 113.876 0.000 . 1 . . . . B 29 GLN N . 34908 1 712 . 2 . 1 30 30 PRO HA H 1 4.531 0.022 . 1 . . . . B 30 PRO HA . 34908 1 713 . 2 . 1 30 30 PRO CA C 13 60.722 0.000 . 1 . . . . B 30 PRO CA . 34908 1 714 . 2 . 1 31 31 PRO HA H 1 4.338 0.005 . 1 . . . . B 31 PRO HA . 34908 1 715 . 2 . 1 31 31 PRO HB2 H 1 2.321 0.012 . 1 . . . . B 31 PRO HB2 . 34908 1 716 . 2 . 1 31 31 PRO HB3 H 1 2.248 0.003 . 1 . . . . B 31 PRO HB3 . 34908 1 717 . 2 . 1 31 31 PRO HG2 H 1 1.981 0.009 . 2 . . . . B 31 PRO HG2 . 34908 1 718 . 2 . 1 31 31 PRO HG3 H 1 1.981 0.009 . 2 . . . . B 31 PRO HG3 . 34908 1 719 . 2 . 1 31 31 PRO HD2 H 1 3.796 0.000 . 1 . . . . B 31 PRO HD2 . 34908 1 720 . 2 . 1 31 31 PRO HD3 H 1 3.770 0.038 . 1 . . . . B 31 PRO HD3 . 34908 1 721 . 2 . 1 31 31 PRO CA C 13 63.988 0.143 . 1 . . . . B 31 PRO CA . 34908 1 722 . 2 . 1 31 31 PRO CB C 13 35.611 0.072 . 1 . . . . B 31 PRO CB . 34908 1 723 . 2 . 1 31 31 PRO CD C 13 50.573 0.011 . 1 . . . . B 31 PRO CD . 34908 1 724 . 2 . 1 32 32 ASP H H 1 7.530 0.004 . 1 . . . . B 32 ASP H . 34908 1 725 . 2 . 1 32 32 ASP HA H 1 4.952 0.006 . 1 . . . . B 32 ASP HA . 34908 1 726 . 2 . 1 32 32 ASP HB2 H 1 2.898 0.005 . 1 . . . . B 32 ASP HB2 . 34908 1 727 . 2 . 1 32 32 ASP HB3 H 1 2.467 0.019 . 1 . . . . B 32 ASP HB3 . 34908 1 728 . 2 . 1 32 32 ASP CA C 13 52.460 0.062 . 1 . . . . B 32 ASP CA . 34908 1 729 . 2 . 1 32 32 ASP CB C 13 42.882 0.070 . 1 . . . . B 32 ASP CB . 34908 1 730 . 2 . 1 32 32 ASP N N 15 116.066 0.002 . 1 . . . . B 32 ASP N . 34908 1 731 . 2 . 1 33 33 LEU H H 1 9.074 0.010 . 1 . . . . B 33 LEU H . 34908 1 732 . 2 . 1 33 33 LEU HA H 1 3.835 0.017 . 1 . . . . B 33 LEU HA . 34908 1 733 . 2 . 1 33 33 LEU HB2 H 1 1.841 0.021 . 1 . . . . B 33 LEU HB2 . 34908 1 734 . 2 . 1 33 33 LEU HB3 H 1 1.550 0.028 . 1 . . . . B 33 LEU HB3 . 34908 1 735 . 2 . 1 33 33 LEU HG H 1 1.868 0.016 . 1 . . . . B 33 LEU HG . 34908 1 736 . 2 . 1 33 33 LEU HD11 H 1 0.839 0.005 . 2 . . . . B 33 LEU HD11 . 34908 1 737 . 2 . 1 33 33 LEU HD12 H 1 0.839 0.005 . 2 . . . . B 33 LEU HD12 . 34908 1 738 . 2 . 1 33 33 LEU HD13 H 1 0.839 0.005 . 2 . . . . B 33 LEU HD13 . 34908 1 739 . 2 . 1 33 33 LEU HD21 H 1 0.756 0.006 . 2 . . . . B 33 LEU HD21 . 34908 1 740 . 2 . 1 33 33 LEU HD22 H 1 0.756 0.006 . 2 . . . . B 33 LEU HD22 . 34908 1 741 . 2 . 1 33 33 LEU HD23 H 1 0.756 0.006 . 2 . . . . B 33 LEU HD23 . 34908 1 742 . 2 . 1 33 33 LEU CA C 13 59.231 0.669 . 1 . . . . B 33 LEU CA . 34908 1 743 . 2 . 1 33 33 LEU CB C 13 42.275 0.032 . 1 . . . . B 33 LEU CB . 34908 1 744 . 2 . 1 33 33 LEU CG C 13 26.908 0.029 . 1 . . . . B 33 LEU CG . 34908 1 745 . 2 . 1 33 33 LEU CD1 C 13 25.807 0.025 . 1 . . . . B 33 LEU CD1 . 34908 1 746 . 2 . 1 33 33 LEU CD2 C 13 23.822 0.123 . 1 . . . . B 33 LEU CD2 . 34908 1 747 . 2 . 1 33 33 LEU N N 15 125.925 0.026 . 1 . . . . B 33 LEU N . 34908 1 748 . 2 . 1 34 34 VAL H H 1 8.165 0.020 . 1 . . . . B 34 VAL H . 34908 1 749 . 2 . 1 34 34 VAL HA H 1 3.622 0.044 . 1 . . . . B 34 VAL HA . 34908 1 750 . 2 . 1 34 34 VAL HB H 1 2.312 0.011 . 1 . . . . B 34 VAL HB . 34908 1 751 . 2 . 1 34 34 VAL HG11 H 1 1.149 0.022 . 2 . . . . B 34 VAL HG11 . 34908 1 752 . 2 . 1 34 34 VAL HG12 H 1 1.149 0.022 . 2 . . . . B 34 VAL HG12 . 34908 1 753 . 2 . 1 34 34 VAL HG13 H 1 1.149 0.022 . 2 . . . . B 34 VAL HG13 . 34908 1 754 . 2 . 1 34 34 VAL HG21 H 1 0.993 0.005 . 2 . . . . B 34 VAL HG21 . 34908 1 755 . 2 . 1 34 34 VAL HG22 H 1 0.993 0.005 . 2 . . . . B 34 VAL HG22 . 34908 1 756 . 2 . 1 34 34 VAL HG23 H 1 0.993 0.005 . 2 . . . . B 34 VAL HG23 . 34908 1 757 . 2 . 1 34 34 VAL CA C 13 67.000 0.080 . 1 . . . . B 34 VAL CA . 34908 1 758 . 2 . 1 34 34 VAL CB C 13 31.806 0.051 . 1 . . . . B 34 VAL CB . 34908 1 759 . 2 . 1 34 34 VAL CG1 C 13 24.046 0.047 . 1 . . . . B 34 VAL CG1 . 34908 1 760 . 2 . 1 34 34 VAL CG2 C 13 22.737 0.258 . 1 . . . . B 34 VAL CG2 . 34908 1 761 . 2 . 1 34 34 VAL N N 15 121.227 0.021 . 1 . . . . B 34 VAL N . 34908 1 762 . 2 . 1 35 35 GLU H H 1 8.242 0.002 . 1 . . . . B 35 GLU H . 34908 1 763 . 2 . 1 35 35 GLU HA H 1 3.922 0.010 . 1 . . . . B 35 GLU HA . 34908 1 764 . 2 . 1 35 35 GLU CA C 13 59.428 0.043 . 1 . . . . B 35 GLU CA . 34908 1 765 . 2 . 1 35 35 GLU N N 15 120.804 0.000 . 1 . . . . B 35 GLU N . 34908 1 766 . 2 . 1 36 36 PHE H H 1 8.013 0.008 . 1 . . . . B 36 PHE H . 34908 1 767 . 2 . 1 36 36 PHE HA H 1 4.356 0.003 . 1 . . . . B 36 PHE HA . 34908 1 768 . 2 . 1 36 36 PHE HB2 H 1 3.231 0.009 . 1 . . . . B 36 PHE HB2 . 34908 1 769 . 2 . 1 36 36 PHE HB3 H 1 2.795 0.007 . 1 . . . . B 36 PHE HB3 . 34908 1 770 . 2 . 1 36 36 PHE CA C 13 61.500 0.090 . 1 . . . . B 36 PHE CA . 34908 1 771 . 2 . 1 36 36 PHE CB C 13 39.844 0.141 . 1 . . . . B 36 PHE CB . 34908 1 772 . 2 . 1 36 36 PHE N N 15 116.846 0.013 . 1 . . . . B 36 PHE N . 34908 1 773 . 2 . 1 37 37 ALA H H 1 7.954 0.008 . 1 . . . . B 37 ALA H . 34908 1 774 . 2 . 1 37 37 ALA HA H 1 3.733 0.010 . 1 . . . . B 37 ALA HA . 34908 1 775 . 2 . 1 37 37 ALA HB1 H 1 0.611 0.004 . 1 . . . . B 37 ALA HB1 . 34908 1 776 . 2 . 1 37 37 ALA HB2 H 1 0.611 0.004 . 1 . . . . B 37 ALA HB2 . 34908 1 777 . 2 . 1 37 37 ALA HB3 H 1 0.611 0.004 . 1 . . . . B 37 ALA HB3 . 34908 1 778 . 2 . 1 37 37 ALA CA C 13 55.684 0.067 . 1 . . . . B 37 ALA CA . 34908 1 779 . 2 . 1 37 37 ALA CB C 13 16.310 0.047 . 1 . . . . B 37 ALA CB . 34908 1 780 . 2 . 1 37 37 ALA N N 15 120.724 0.024 . 1 . . . . B 37 ALA N . 34908 1 781 . 2 . 1 38 38 VAL H H 1 8.204 0.014 . 1 . . . . B 38 VAL H . 34908 1 782 . 2 . 1 38 38 VAL HA H 1 3.367 0.007 . 1 . . . . B 38 VAL HA . 34908 1 783 . 2 . 1 38 38 VAL HB H 1 2.184 0.017 . 1 . . . . B 38 VAL HB . 34908 1 784 . 2 . 1 38 38 VAL HG11 H 1 0.949 0.009 . 2 . . . . B 38 VAL HG11 . 34908 1 785 . 2 . 1 38 38 VAL HG12 H 1 0.949 0.009 . 2 . . . . B 38 VAL HG12 . 34908 1 786 . 2 . 1 38 38 VAL HG13 H 1 0.949 0.009 . 2 . . . . B 38 VAL HG13 . 34908 1 787 . 2 . 1 38 38 VAL HG21 H 1 0.876 0.000 . 2 . . . . B 38 VAL HG21 . 34908 1 788 . 2 . 1 38 38 VAL HG22 H 1 0.876 0.000 . 2 . . . . B 38 VAL HG22 . 34908 1 789 . 2 . 1 38 38 VAL HG23 H 1 0.876 0.000 . 2 . . . . B 38 VAL HG23 . 34908 1 790 . 2 . 1 38 38 VAL CA C 13 68.589 0.119 . 1 . . . . B 38 VAL CA . 34908 1 791 . 2 . 1 38 38 VAL CB C 13 32.965 0.182 . 1 . . . . B 38 VAL CB . 34908 1 792 . 2 . 1 38 38 VAL CG1 C 13 20.870 0.000 . 1 . . . . B 38 VAL CG1 . 34908 1 793 . 2 . 1 38 38 VAL CG2 C 13 21.690 0.025 . 1 . . . . B 38 VAL CG2 . 34908 1 794 . 2 . 1 38 38 VAL N N 15 117.595 0.009 . 1 . . . . B 38 VAL N . 34908 1 795 . 2 . 1 39 39 GLU H H 1 7.830 0.012 . 1 . . . . B 39 GLU H . 34908 1 796 . 2 . 1 39 39 GLU HA H 1 3.876 0.017 . 1 . . . . B 39 GLU HA . 34908 1 797 . 2 . 1 39 39 GLU HB2 H 1 2.077 0.030 . 1 . . . . B 39 GLU HB2 . 34908 1 798 . 2 . 1 39 39 GLU HB3 H 1 1.997 0.027 . 1 . . . . B 39 GLU HB3 . 34908 1 799 . 2 . 1 39 39 GLU HG2 H 1 2.283 0.006 . 2 . . . . B 39 GLU HG2 . 34908 1 800 . 2 . 1 39 39 GLU HG3 H 1 2.283 0.006 . 2 . . . . B 39 GLU HG3 . 34908 1 801 . 2 . 1 39 39 GLU CA C 13 59.703 0.053 . 1 . . . . B 39 GLU CA . 34908 1 802 . 2 . 1 39 39 GLU CB C 13 29.589 0.073 . 1 . . . . B 39 GLU CB . 34908 1 803 . 2 . 1 39 39 GLU CG C 13 35.855 0.280 . 1 . . . . B 39 GLU CG . 34908 1 804 . 2 . 1 39 39 GLU N N 15 121.474 0.045 . 1 . . . . B 39 GLU N . 34908 1 805 . 2 . 1 40 40 TYR H H 1 8.939 0.004 . 1 . . . . B 40 TYR H . 34908 1 806 . 2 . 1 40 40 TYR HA H 1 3.539 0.005 . 1 . . . . B 40 TYR HA . 34908 1 807 . 2 . 1 40 40 TYR HB2 H 1 2.274 0.005 . 1 . . . . B 40 TYR HB2 . 34908 1 808 . 2 . 1 40 40 TYR HB3 H 1 2.173 0.011 . 1 . . . . B 40 TYR HB3 . 34908 1 809 . 2 . 1 40 40 TYR CA C 13 61.992 0.111 . 1 . . . . B 40 TYR CA . 34908 1 810 . 2 . 1 40 40 TYR CB C 13 38.950 0.089 . 1 . . . . B 40 TYR CB . 34908 1 811 . 2 . 1 40 40 TYR N N 15 120.686 0.058 . 1 . . . . B 40 TYR N . 34908 1 812 . 2 . 1 41 41 PHE H H 1 8.737 0.004 . 1 . . . . B 41 PHE H . 34908 1 813 . 2 . 1 41 41 PHE HA H 1 4.115 0.007 . 1 . . . . B 41 PHE HA . 34908 1 814 . 2 . 1 41 41 PHE HB2 H 1 3.150 0.008 . 1 . . . . B 41 PHE HB2 . 34908 1 815 . 2 . 1 41 41 PHE HB3 H 1 2.742 0.008 . 1 . . . . B 41 PHE HB3 . 34908 1 816 . 2 . 1 41 41 PHE CA C 13 62.791 0.092 . 1 . . . . B 41 PHE CA . 34908 1 817 . 2 . 1 41 41 PHE CB C 13 38.033 0.078 . 1 . . . . B 41 PHE CB . 34908 1 818 . 2 . 1 41 41 PHE N N 15 115.524 0.015 . 1 . . . . B 41 PHE N . 34908 1 819 . 2 . 1 42 42 THR H H 1 8.016 0.010 . 1 . . . . B 42 THR H . 34908 1 820 . 2 . 1 42 42 THR HA H 1 3.727 0.007 . 1 . . . . B 42 THR HA . 34908 1 821 . 2 . 1 42 42 THR HB H 1 4.240 0.006 . 1 . . . . B 42 THR HB . 34908 1 822 . 2 . 1 42 42 THR HG21 H 1 1.176 0.008 . 1 . . . . B 42 THR HG21 . 34908 1 823 . 2 . 1 42 42 THR HG22 H 1 1.176 0.008 . 1 . . . . B 42 THR HG22 . 34908 1 824 . 2 . 1 42 42 THR HG23 H 1 1.176 0.008 . 1 . . . . B 42 THR HG23 . 34908 1 825 . 2 . 1 42 42 THR CA C 13 67.893 0.176 . 1 . . . . B 42 THR CA . 34908 1 826 . 2 . 1 42 42 THR CB C 13 68.150 0.035 . 1 . . . . B 42 THR CB . 34908 1 827 . 2 . 1 42 42 THR CG2 C 13 21.288 0.059 . 1 . . . . B 42 THR CG2 . 34908 1 828 . 2 . 1 42 42 THR N N 15 117.076 0.032 . 1 . . . . B 42 THR N . 34908 1 829 . 2 . 1 43 43 ARG H H 1 7.859 0.018 . 1 . . . . B 43 ARG H . 34908 1 830 . 2 . 1 43 43 ARG N N 15 121.893 0.034 . 1 . . . . B 43 ARG N . 34908 1 831 . 2 . 1 44 44 LEU H H 1 7.429 0.010 . 1 . . . . B 44 LEU H . 34908 1 832 . 2 . 1 44 44 LEU HA H 1 4.310 0.004 . 1 . . . . B 44 LEU HA . 34908 1 833 . 2 . 1 44 44 LEU HB2 H 1 2.072 0.006 . 1 . . . . B 44 LEU HB2 . 34908 1 834 . 2 . 1 44 44 LEU HB3 H 1 2.001 0.008 . 1 . . . . B 44 LEU HB3 . 34908 1 835 . 2 . 1 44 44 LEU HG H 1 1.865 0.005 . 1 . . . . B 44 LEU HG . 34908 1 836 . 2 . 1 44 44 LEU HD11 H 1 1.109 0.002 . 2 . . . . B 44 LEU HD11 . 34908 1 837 . 2 . 1 44 44 LEU HD12 H 1 1.109 0.002 . 2 . . . . B 44 LEU HD12 . 34908 1 838 . 2 . 1 44 44 LEU HD13 H 1 1.109 0.002 . 2 . . . . B 44 LEU HD13 . 34908 1 839 . 2 . 1 44 44 LEU HD21 H 1 0.986 0.005 . 2 . . . . B 44 LEU HD21 . 34908 1 840 . 2 . 1 44 44 LEU HD22 H 1 0.986 0.005 . 2 . . . . B 44 LEU HD22 . 34908 1 841 . 2 . 1 44 44 LEU HD23 H 1 0.986 0.005 . 2 . . . . B 44 LEU HD23 . 34908 1 842 . 2 . 1 44 44 LEU CA C 13 57.962 0.018 . 1 . . . . B 44 LEU CA . 34908 1 843 . 2 . 1 44 44 LEU CB C 13 42.686 0.058 . 1 . . . . B 44 LEU CB . 34908 1 844 . 2 . 1 44 44 LEU CG C 13 27.079 0.000 . 1 . . . . B 44 LEU CG . 34908 1 845 . 2 . 1 44 44 LEU CD1 C 13 26.205 0.078 . 1 . . . . B 44 LEU CD1 . 34908 1 846 . 2 . 1 44 44 LEU CD2 C 13 26.615 0.065 . 1 . . . . B 44 LEU CD2 . 34908 1 847 . 2 . 1 44 44 LEU N N 15 119.704 0.035 . 1 . . . . B 44 LEU N . 34908 1 848 . 2 . 1 45 45 ARG H H 1 7.935 0.017 . 1 . . . . B 45 ARG H . 34908 1 849 . 2 . 1 45 45 ARG N N 15 119.789 0.000 . 1 . . . . B 45 ARG N . 34908 1 850 . 2 . 1 46 46 GLU H H 1 7.994 0.008 . 1 . . . . B 46 GLU H . 34908 1 851 . 2 . 1 46 46 GLU HA H 1 4.196 0.005 . 1 . . . . B 46 GLU HA . 34908 1 852 . 2 . 1 46 46 GLU HB2 H 1 2.179 0.010 . 1 . . . . B 46 GLU HB2 . 34908 1 853 . 2 . 1 46 46 GLU HB3 H 1 1.944 0.000 . 1 . . . . B 46 GLU HB3 . 34908 1 854 . 2 . 1 46 46 GLU HG2 H 1 2.525 0.000 . 2 . . . . B 46 GLU HG2 . 34908 1 855 . 2 . 1 46 46 GLU HG3 H 1 2.525 0.000 . 2 . . . . B 46 GLU HG3 . 34908 1 856 . 2 . 1 46 46 GLU CA C 13 57.830 0.000 . 1 . . . . B 46 GLU CA . 34908 1 857 . 2 . 1 46 46 GLU CB C 13 29.481 0.103 . 1 . . . . B 46 GLU CB . 34908 1 858 . 2 . 1 46 46 GLU CG C 13 36.441 0.000 . 1 . . . . B 46 GLU CG . 34908 1 859 . 2 . 1 46 46 GLU N N 15 117.880 0.000 . 1 . . . . B 46 GLU N . 34908 1 860 . 2 . 1 47 47 ALA H H 1 8.571 0.007 . 1 . . . . B 47 ALA H . 34908 1 861 . 2 . 1 47 47 ALA HA H 1 4.236 0.002 . 1 . . . . B 47 ALA HA . 34908 1 862 . 2 . 1 47 47 ALA HB1 H 1 1.417 0.001 . 1 . . . . B 47 ALA HB1 . 34908 1 863 . 2 . 1 47 47 ALA HB2 H 1 1.417 0.001 . 1 . . . . B 47 ALA HB2 . 34908 1 864 . 2 . 1 47 47 ALA HB3 H 1 1.417 0.001 . 1 . . . . B 47 ALA HB3 . 34908 1 865 . 2 . 1 47 47 ALA CA C 13 53.837 0.838 . 1 . . . . B 47 ALA CA . 34908 1 866 . 2 . 1 47 47 ALA CB C 13 18.763 0.098 . 1 . . . . B 47 ALA CB . 34908 1 867 . 2 . 1 47 47 ALA N N 15 125.937 0.000 . 1 . . . . B 47 ALA N . 34908 1 868 . 2 . 1 48 48 ARG H H 1 7.478 0.010 . 1 . . . . B 48 ARG H . 34908 1 869 . 2 . 1 48 48 ARG HA H 1 4.240 0.005 . 1 . . . . B 48 ARG HA . 34908 1 870 . 2 . 1 48 48 ARG HB2 H 1 1.930 0.003 . 1 . . . . B 48 ARG HB2 . 34908 1 871 . 2 . 1 48 48 ARG HB3 H 1 1.826 0.003 . 1 . . . . B 48 ARG HB3 . 34908 1 872 . 2 . 1 48 48 ARG HG2 H 1 1.809 0.005 . 1 . . . . B 48 ARG HG2 . 34908 1 873 . 2 . 1 48 48 ARG HG3 H 1 1.727 0.000 . 1 . . . . B 48 ARG HG3 . 34908 1 874 . 2 . 1 48 48 ARG HD2 H 1 3.187 0.018 . 2 . . . . B 48 ARG HD2 . 34908 1 875 . 2 . 1 48 48 ARG HD3 H 1 3.187 0.018 . 2 . . . . B 48 ARG HD3 . 34908 1 876 . 2 . 1 48 48 ARG CA C 13 56.535 0.143 . 1 . . . . B 48 ARG CA . 34908 1 877 . 2 . 1 48 48 ARG CB C 13 30.923 0.066 . 1 . . . . B 48 ARG CB . 34908 1 878 . 2 . 1 48 48 ARG CG C 13 26.829 0.041 . 1 . . . . B 48 ARG CG . 34908 1 879 . 2 . 1 48 48 ARG CD C 13 44.049 0.027 . 1 . . . . B 48 ARG CD . 34908 1 880 . 2 . 1 48 48 ARG N N 15 117.603 0.006 . 1 . . . . B 48 ARG N . 34908 1 881 . 2 . 1 49 49 ALA H H 1 7.829 0.004 . 1 . . . . B 49 ALA H . 34908 1 882 . 2 . 1 49 49 ALA HA H 1 4.416 0.005 . 1 . . . . B 49 ALA HA . 34908 1 883 . 2 . 1 49 49 ALA HB1 H 1 1.330 0.003 . 1 . . . . B 49 ALA HB1 . 34908 1 884 . 2 . 1 49 49 ALA HB2 H 1 1.330 0.003 . 1 . . . . B 49 ALA HB2 . 34908 1 885 . 2 . 1 49 49 ALA HB3 H 1 1.330 0.003 . 1 . . . . B 49 ALA HB3 . 34908 1 886 . 2 . 1 49 49 ALA CA C 13 50.549 0.084 . 1 . . . . B 49 ALA CA . 34908 1 887 . 2 . 1 49 49 ALA CB C 13 19.277 0.015 . 1 . . . . B 49 ALA CB . 34908 1 888 . 2 . 1 49 49 ALA N N 15 124.420 0.019 . 1 . . . . B 49 ALA N . 34908 1 889 . 2 . 1 50 50 PRO HA H 1 4.412 0.009 . 1 . . . . B 50 PRO HA . 34908 1 890 . 2 . 1 50 50 PRO HB2 H 1 2.297 0.001 . 1 . . . . B 50 PRO HB2 . 34908 1 891 . 2 . 1 50 50 PRO HB3 H 1 1.944 0.008 . 1 . . . . B 50 PRO HB3 . 34908 1 892 . 2 . 1 50 50 PRO HG2 H 1 2.025 0.001 . 1 . . . . B 50 PRO HG2 . 34908 1 893 . 2 . 1 50 50 PRO HG3 H 1 2.019 0.001 . 1 . . . . B 50 PRO HG3 . 34908 1 894 . 2 . 1 50 50 PRO HD2 H 1 3.787 0.003 . 1 . . . . B 50 PRO HD2 . 34908 1 895 . 2 . 1 50 50 PRO HD3 H 1 3.628 0.011 . 1 . . . . B 50 PRO HD3 . 34908 1 896 . 2 . 1 50 50 PRO CA C 13 63.095 0.150 . 1 . . . . B 50 PRO CA . 34908 1 897 . 2 . 1 50 50 PRO CB C 13 32.027 0.063 . 1 . . . . B 50 PRO CB . 34908 1 898 . 2 . 1 50 50 PRO CG C 13 27.479 0.080 . 1 . . . . B 50 PRO CG . 34908 1 899 . 2 . 1 50 50 PRO CD C 13 50.446 0.020 . 1 . . . . B 50 PRO CD . 34908 1 900 . 2 . 1 51 51 ALA H H 1 8.425 0.003 . 1 . . . . B 51 ALA H . 34908 1 901 . 2 . 1 51 51 ALA HA H 1 4.348 0.025 . 1 . . . . B 51 ALA HA . 34908 1 902 . 2 . 1 51 51 ALA HB1 H 1 1.398 0.008 . 1 . . . . B 51 ALA HB1 . 34908 1 903 . 2 . 1 51 51 ALA HB2 H 1 1.398 0.008 . 1 . . . . B 51 ALA HB2 . 34908 1 904 . 2 . 1 51 51 ALA HB3 H 1 1.398 0.008 . 1 . . . . B 51 ALA HB3 . 34908 1 905 . 2 . 1 51 51 ALA CA C 13 52.531 0.050 . 1 . . . . B 51 ALA CA . 34908 1 906 . 2 . 1 51 51 ALA CB C 13 19.367 0.003 . 1 . . . . B 51 ALA CB . 34908 1 907 . 2 . 1 51 51 ALA N N 15 125.078 0.001 . 1 . . . . B 51 ALA N . 34908 1 908 . 2 . 1 52 52 SER H H 1 7.879 0.003 . 1 . . . . B 52 SER H . 34908 1 909 . 2 . 1 52 52 SER HA H 1 4.227 0.000 . 1 . . . . B 52 SER HA . 34908 1 910 . 2 . 1 52 52 SER HB2 H 1 3.822 0.003 . 2 . . . . B 52 SER HB2 . 34908 1 911 . 2 . 1 52 52 SER HB3 H 1 3.822 0.003 . 2 . . . . B 52 SER HB3 . 34908 1 912 . 2 . 1 52 52 SER CA C 13 59.828 0.000 . 1 . . . . B 52 SER CA . 34908 1 913 . 2 . 1 52 52 SER CB C 13 64.951 0.000 . 1 . . . . B 52 SER CB . 34908 1 914 . 2 . 1 52 52 SER N N 15 120.645 0.000 . 1 . . . . B 52 SER N . 34908 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34908 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY filtered' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #SPECTRUM N15NOESY H N HN 1 1.420 115.770 7.989 9 U 1.94e+10 0 e 0 966 540 537 2 0.965 116.737 8.400 9 U 2.57e+10 0 e 0 0 0 0 3 1.217 116.735 8.394 9 U 3.13e+10 0 e 0 0 0 0 4 3.775 120.842 8.560 9 U 3.76e+10 0 e 0 846 164 161 5 1.051 122.861 9.092 9 U 4.15e+10 0 e 0 0 0 0 6 7.471 125.768 7.937 9 U 3.47e+10 0 e 0 0 0 0 7 4.249 125.746 7.937 9 U 1.29e+11 0 e 0 0 0 0 8 4.035 125.839 8.189 9 U 5.92e+10 0 e 0 0 0 0 9 4.448 125.083 8.425 9 U 3.27e+11 0 e 0 0 0 0 10 4.296 125.068 8.422 9 U 1.04e+11 0 e 0 0 0 0 11 1.397 125.117 8.426 9 U 3.92e+10 0 e 0 0 0 0 12 1.205 111.576 8.568 9 U 2.34e+10 0 e 0 0 0 0 13 0.794 111.743 8.573 9 U 2.52e+10 0 e 0 0 0 0 14 0.869 114.397 8.432 9 U 3.16e+10 0 e 0 0 0 0 15 1.108 114.516 8.634 9 U 2.61e+10 0 e 0 0 0 0 16 4.172 115.821 7.993 9 U 5.7e+10 0 e 0 0 0 0 17 3.802 115.730 7.986 9 U 2.71e+10 0 e 0 0 0 0 18 0.991 115.844 7.994 9 U 3.99e+10 0 e 0 0 0 0 19 1.059 116.945 8.570 9 U 3.34e+10 0 e 0 0 0 0 20 0.889 117.022 7.136 9 U 3.28e+10 0 e 0 0 0 0 21 0.875 117.523 8.354 9 U 8.59e+10 0 e 0 0 0 0 22 1.443 117.699 7.471 9 U 2.76e+10 0 e 0 0 0 0 23 1.814 117.662 7.474 9 U 3.12e+10 0 e 0 0 0 0 24 0.877 119.366 8.079 9 U 6.55e+10 0 e 0 0 0 0 25 0.898 120.544 8.704 9 U 4.19e+10 0 e 0 0 0 0 26 1.411 120.603 8.702 9 U 2.44e+10 0 e 0 0 0 0 27 4.308 120.678 7.881 9 U 6.44e+10 0 e 0 0 0 0 28 4.160 120.808 8.554 9 U 3.38e+10 0 e 0 0 0 0 29 1.430 120.896 7.689 9 U 3.71e+10 0 e 0 0 0 0 30 4.225 120.969 7.687 9 U 2.68e+10 0 e 0 0 0 0 31 2.253 122.924 9.094 9 U 2.65e+10 0 e 0 0 0 0 32 0.940 123.675 9.222 9 U 4.22e+10 0 e 0 0 0 0 33 1.363 125.756 7.935 9 U 5.08e+10 0 e 0 0 0 0 34 1.816 125.749 7.933 9 U 3.42e+10 0 e 0 0 0 0 35 0.863 125.849 8.189 9 U 3.78e+10 0 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H 2 'not observed' 13.8449581942862 ppm . . . 4.69814811363009421765 . . 34908 1 2 . . N 15 N 1 'not observed' 20.9999895011844 ppm . . . 117.48619537204371776315 . . 34908 1 3 . . H 1 H . 'not observed' 13.8449581942862 ppm . . . 4.69814811363009421765 . . 34908 1 stop_ save_