data_15129 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15129 _Entry.Title ; Solution structure of the first SH3 domain of human Vinexin and its interaction with the peptides from Vinculin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-02 _Entry.Accession_date 2007-02-02 _Entry.Last_release_date 2007-05-21 _Entry.Original_release_date 2007-05-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 J. Zhang J. . . 15129 2 B. Yao B. . . 15129 3 J. Wu J. . . 15129 4 Y. Shi Y. . . 15129 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Vinexin SH3 domain' 'Vinexin SH3 domain' 15129 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15129 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 242 15129 '15N chemical shifts' 58 15129 '1H chemical shifts' 410 15129 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 . . 2007-05-21 2007-02-02 original author . 15129 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15129 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17467669 _Citation.Full_citation . _Citation.Title 'Solution structure of the first SH3 domain of human Vinexin and its interaction with the vinculin peptides' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 357 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 931 _Citation.Page_last 937 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Zhang J. . . 15129 1 2 B. Yao B. . . 15129 1 3 J. Wu J. . . 15129 1 4 Y. Shi Y. . . 15129 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SH3 15129 1 Vinexin 15129 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15129 _Assembly.ID 1 _Assembly.Name SH3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SH3 1 $Vinexin A . yes native no no . . . 15129 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2NWM . . 'solution NMR' . . . 15129 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Vinexin _Entity.Sf_category entity _Entity.Sf_framecode Vinexin _Entity.Entry_ID 15129 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Vinexin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKAARLKFDFQAQSPKELTL QKGDIVYIHKEVDKNWLEGE HHGRLGIFPANYVEVLPLEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'SH3 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11242 . "SH3 domain, residues 8-62" . . . . . 84.62 68 100.00 100.00 8.12e-32 . . . . 15129 1 2 no PDB 2DLM . "Solution Structure Of The First Sh3 Domain Of Human Vinexin" . . . . . 84.62 68 100.00 100.00 8.12e-32 . . . . 15129 1 3 no PDB 2NWM . "Solution Structure Of The First Sh3 Domain Of Human Vinexin And Its Interaction With The Peptides From Vinculin" . . . . . 100.00 65 100.00 100.00 9.54e-39 . . . . 15129 1 4 no REF XP_004332006 . "PREDICTED: vinexin-like, partial [Tursiops truncatus]" . . . . . 81.54 93 98.11 100.00 1.58e-29 . . . . 15129 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 15129 1 'Alternative splicing' SWS-KEYWORD 15129 1 'Cell adhesion' SWS-KEYWORD 15129 1 Cytoskeleton SWS-KEYWORD 15129 1 Phosphorylation SWS-KEYWORD 15129 1 Repeat SWS-KEYWORD 15129 1 SCAM-1 SWS-SYNONYM 15129 1 'SH3-containing adapter molecule 1' SWS-SYNONYM 15129 1 'SH3 domain' SWS-KEYWORD 15129 1 'Sorbin and SH3 domain-containing protein 3' SWS-SYNONYM 15129 1 'Sorbin and SH3 domain-containing protein 3, SH3-containing adapter molecule 1, SCAM-1' . 15129 1 Vinexin RCSB_NAME 15129 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 15129 1 2 1 LYS . 15129 1 3 2 ALA . 15129 1 4 3 ALA . 15129 1 5 4 ARG . 15129 1 6 5 LEU . 15129 1 7 6 LYS . 15129 1 8 7 PHE . 15129 1 9 8 ASP . 15129 1 10 9 PHE . 15129 1 11 10 GLN . 15129 1 12 11 ALA . 15129 1 13 12 GLN . 15129 1 14 13 SER . 15129 1 15 14 PRO . 15129 1 16 15 LYS . 15129 1 17 16 GLU . 15129 1 18 17 LEU . 15129 1 19 18 THR . 15129 1 20 19 LEU . 15129 1 21 20 GLN . 15129 1 22 21 LYS . 15129 1 23 22 GLY . 15129 1 24 23 ASP . 15129 1 25 24 ILE . 15129 1 26 25 VAL . 15129 1 27 26 TYR . 15129 1 28 27 ILE . 15129 1 29 28 HIS . 15129 1 30 29 LYS . 15129 1 31 30 GLU . 15129 1 32 31 VAL . 15129 1 33 32 ASP . 15129 1 34 33 LYS . 15129 1 35 34 ASN . 15129 1 36 35 TRP . 15129 1 37 36 LEU . 15129 1 38 37 GLU . 15129 1 39 38 GLY . 15129 1 40 39 GLU . 15129 1 41 40 HIS . 15129 1 42 41 HIS . 15129 1 43 42 GLY . 15129 1 44 43 ARG . 15129 1 45 44 LEU . 15129 1 46 45 GLY . 15129 1 47 46 ILE . 15129 1 48 47 PHE . 15129 1 49 48 PRO . 15129 1 50 49 ALA . 15129 1 51 50 ASN . 15129 1 52 51 TYR . 15129 1 53 52 VAL . 15129 1 54 53 GLU . 15129 1 55 54 VAL . 15129 1 56 55 LEU . 15129 1 57 56 PRO . 15129 1 58 57 LEU . 15129 1 59 58 GLU . 15129 1 60 59 HIS . 15129 1 61 60 HIS . 15129 1 62 61 HIS . 15129 1 63 62 HIS . 15129 1 64 63 HIS . 15129 1 65 64 HIS . 15129 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 . MET 1 1 15129 1 . LYS 2 2 15129 1 . ALA 3 3 15129 1 . ALA 4 4 15129 1 . ARG 5 5 15129 1 . LEU 6 6 15129 1 . LYS 7 7 15129 1 . PHE 8 8 15129 1 . ASP 9 9 15129 1 . PHE 10 10 15129 1 . GLN 11 11 15129 1 . ALA 12 12 15129 1 . GLN 13 13 15129 1 . SER 14 14 15129 1 . PRO 15 15 15129 1 . LYS 16 16 15129 1 . GLU 17 17 15129 1 . LEU 18 18 15129 1 . THR 19 19 15129 1 . LEU 20 20 15129 1 . GLN 21 21 15129 1 . LYS 22 22 15129 1 . GLY 23 23 15129 1 . ASP 24 24 15129 1 . ILE 25 25 15129 1 . VAL 26 26 15129 1 . TYR 27 27 15129 1 . ILE 28 28 15129 1 . HIS 29 29 15129 1 . LYS 30 30 15129 1 . GLU 31 31 15129 1 . VAL 32 32 15129 1 . ASP 33 33 15129 1 . LYS 34 34 15129 1 . ASN 35 35 15129 1 . TRP 36 36 15129 1 . LEU 37 37 15129 1 . GLU 38 38 15129 1 . GLY 39 39 15129 1 . GLU 40 40 15129 1 . HIS 41 41 15129 1 . HIS 42 42 15129 1 . GLY 43 43 15129 1 . ARG 44 44 15129 1 . LEU 45 45 15129 1 . GLY 46 46 15129 1 . ILE 47 47 15129 1 . PHE 48 48 15129 1 . PRO 49 49 15129 1 . ALA 50 50 15129 1 . ASN 51 51 15129 1 . TYR 52 52 15129 1 . VAL 53 53 15129 1 . GLU 54 54 15129 1 . VAL 55 55 15129 1 . LEU 56 56 15129 1 . PRO 57 57 15129 1 . LEU 58 58 15129 1 . GLU 59 59 15129 1 . HIS 60 60 15129 1 . HIS 61 61 15129 1 . HIS 62 62 15129 1 . HIS 63 63 15129 1 . HIS 64 64 15129 1 . HIS 65 65 15129 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15129 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Vinexin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . Vinexin . . . . 15129 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 15129 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Vinexin . 'recombinant technology' 'Escherichia coli' bacteria . . . . BL21(DE3) . . . . . . . . . . . . . . . PET22b(+) . . . . . . 15129 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15129 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1-1.2mM 15N, 13C-labeled human Vinexin SH3 domain; 50mM phosphate buffer(pH 6.2); 50mM NaCl; 1mM DTT; 1mM EDTA; 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 Vinexin '[U-100% 13C; U-100% 15N]' . . 1 $Vinexin . . 1.2 1 1.2 mM . . . . 15129 1 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 15129 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15129 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15129 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15129 1 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 15129 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.2 . pH 15129 1 pressure 1 . atm 15129 1 temperature 298 . K 15129 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15129 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 15129 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15129 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 15129 _Software.ID 2 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard, T.D., Kneller, D.G.' . . 15129 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15129 2 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 15129 _Software.ID 3 _Software.Name CNSSOLVE _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15129 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15129 3 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 15129 _Software.ID 4 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Koradi . . 15129 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15129 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15129 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15129 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 600 . . . 15129 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 15129 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15129 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15129 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15129 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.81 internal indirect 0.101329118 . . . . . . . . . 15129 1 H 1 water protons . . . . ppm 4.81 internal direct 1.0 . . . . . . . . . 15129 1 N 15 water protons . . . . ppm 4.81 internal indirect 0.251449530 . . . . . . . . . 15129 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15129 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 15129 1 2 3D_13C-separated_NOESY . . . 15129 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS HA H 1 4.556 0.01 . 1 . . . . 1 K HA . 15129 1 2 . 1 1 2 2 LYS HB2 H 1 1.805 0.01 . 1 . . . . 1 K HB2 . 15129 1 3 . 1 1 2 2 LYS HB3 H 1 1.721 0.01 . 1 . . . . 1 K HB3 . 15129 1 4 . 1 1 2 2 LYS HG2 H 1 1.403 0.01 . 1 . . . . 1 K HG2 . 15129 1 5 . 1 1 2 2 LYS HG3 H 1 1.469 0.01 . 1 . . . . 1 K HG3 . 15129 1 6 . 1 1 2 2 LYS HD2 H 1 1.66 0.01 . 1 . . . . 1 K HD2 . 15129 1 7 . 1 1 2 2 LYS HD3 H 1 1.619 0.01 . 1 . . . . 1 K HD3 . 15129 1 8 . 1 1 2 2 LYS HE2 H 1 2.893 0.01 . 1 . . . . 1 K HE2 . 15129 1 9 . 1 1 2 2 LYS HE3 H 1 2.893 0.01 . 1 . . . . 1 K HE3 . 15129 1 10 . 1 1 2 2 LYS C C 13 174.453 0.1 . 1 . . . . 1 K CO . 15129 1 11 . 1 1 2 2 LYS CA C 13 56.026 0.1 . 1 . . . . 1 K CA . 15129 1 12 . 1 1 2 2 LYS CB C 13 34.466 0.1 . 1 . . . . 1 K CB . 15129 1 13 . 1 1 2 2 LYS CG C 13 24.799 0.1 . 1 . . . . 1 K CG . 15129 1 14 . 1 1 2 2 LYS CD C 13 29.306 0.1 . 1 . . . . 1 K CD . 15129 1 15 . 1 1 2 2 LYS CE C 13 41.912 0.1 . 1 . . . . 1 K CE . 15129 1 16 . 1 1 3 3 ALA H H 1 8.754 0.01 . 1 . . . . 2 A HN . 15129 1 17 . 1 1 3 3 ALA HA H 1 4.909 0.01 . 1 . . . . 2 A HA . 15129 1 18 . 1 1 3 3 ALA HB1 H 1 1.148 0.01 . 1 . . . . 2 A HB . 15129 1 19 . 1 1 3 3 ALA HB2 H 1 1.148 0.01 . 1 . . . . 2 A HB . 15129 1 20 . 1 1 3 3 ALA HB3 H 1 1.148 0.01 . 1 . . . . 2 A HB . 15129 1 21 . 1 1 3 3 ALA C C 13 176.356 0.1 . 1 . . . . 2 A CO . 15129 1 22 . 1 1 3 3 ALA CA C 13 50.675 0.1 . 1 . . . . 2 A CA . 15129 1 23 . 1 1 3 3 ALA CB C 13 21.259 0.1 . 1 . . . . 2 A CB . 15129 1 24 . 1 1 3 3 ALA N N 15 127.001 0.1 . 1 . . . . 2 A N . 15129 1 25 . 1 1 4 4 ALA H H 1 8.927 0.01 . 1 . . . . 3 A HN . 15129 1 26 . 1 1 4 4 ALA HA H 1 4.876 0.01 . 1 . . . . 3 A HA . 15129 1 27 . 1 1 4 4 ALA HB1 H 1 0.992 0.01 . 1 . . . . 3 A HB . 15129 1 28 . 1 1 4 4 ALA HB2 H 1 0.992 0.01 . 1 . . . . 3 A HB . 15129 1 29 . 1 1 4 4 ALA HB3 H 1 0.992 0.01 . 1 . . . . 3 A HB . 15129 1 30 . 1 1 4 4 ALA C C 13 173.278 0.1 . 1 . . . . 3 A CO . 15129 1 31 . 1 1 4 4 ALA CA C 13 50.36 0.1 . 1 . . . . 3 A CA . 15129 1 32 . 1 1 4 4 ALA CB C 13 23.361 0.1 . 1 . . . . 3 A CB . 15129 1 33 . 1 1 4 4 ALA N N 15 122.139 0.1 . 1 . . . . 3 A N . 15129 1 34 . 1 1 5 5 ARG H H 1 8.685 0.01 . 1 . . . . 4 R HN . 15129 1 35 . 1 1 5 5 ARG HA H 1 5.272 0.01 . 1 . . . . 4 R HA . 15129 1 36 . 1 1 5 5 ARG HB2 H 1 1.365 0.01 . 1 . . . . 4 R HB2 . 15129 1 37 . 1 1 5 5 ARG HB3 H 1 1.638 0.01 . 1 . . . . 4 R HB3 . 15129 1 38 . 1 1 5 5 ARG HG2 H 1 1.318 0.01 . 1 . . . . 4 R HG2 . 15129 1 39 . 1 1 5 5 ARG HG3 H 1 1.342 0.01 . 1 . . . . 4 R HG3 . 15129 1 40 . 1 1 5 5 ARG HD2 H 1 3.061 0.01 . 1 . . . . 4 R HD2 . 15129 1 41 . 1 1 5 5 ARG HD3 H 1 3.086 0.01 . 1 . . . . 4 R HD3 . 15129 1 42 . 1 1 5 5 ARG C C 13 176.207 0.1 . 1 . . . . 4 R CO . 15129 1 43 . 1 1 5 5 ARG CA C 13 53.107 0.1 . 1 . . . . 4 R CA . 15129 1 44 . 1 1 5 5 ARG CB C 13 33.959 0.1 . 1 . . . . 4 R CB . 15129 1 45 . 1 1 5 5 ARG CG C 13 27.016 0.1 . 1 . . . . 4 R CG . 15129 1 46 . 1 1 5 5 ARG CD C 13 43.386 0.1 . 1 . . . . 4 R CD . 15129 1 47 . 1 1 5 5 ARG N N 15 119.759 0.1 . 1 . . . . 4 R N . 15129 1 48 . 1 1 6 6 LEU H H 1 8.732 0.01 . 1 . . . . 5 L HN . 15129 1 49 . 1 1 6 6 LEU HA H 1 4.317 0.01 . 1 . . . . 5 L HA . 15129 1 50 . 1 1 6 6 LEU HB2 H 1 2.051 0.01 . 1 . . . . 5 L HB2 . 15129 1 51 . 1 1 6 6 LEU HB3 H 1 1.716 0.01 . 1 . . . . 5 L HB3 . 15129 1 52 . 1 1 6 6 LEU HG H 1 1.761 0.01 . 1 . . . . 5 L HG . 15129 1 53 . 1 1 6 6 LEU HD11 H 1 0.367 0.01 . 1 . . . . 5 L HD1 . 15129 1 54 . 1 1 6 6 LEU HD12 H 1 0.367 0.01 . 1 . . . . 5 L HD1 . 15129 1 55 . 1 1 6 6 LEU HD13 H 1 0.367 0.01 . 1 . . . . 5 L HD1 . 15129 1 56 . 1 1 6 6 LEU HD21 H 1 0.926 0.01 . 1 . . . . 5 L HD2 . 15129 1 57 . 1 1 6 6 LEU HD22 H 1 0.926 0.01 . 1 . . . . 5 L HD2 . 15129 1 58 . 1 1 6 6 LEU HD23 H 1 0.926 0.01 . 1 . . . . 5 L HD2 . 15129 1 59 . 1 1 6 6 LEU C C 13 179.044 0.1 . 1 . . . . 5 L CO . 15129 1 60 . 1 1 6 6 LEU CA C 13 52.674 0.1 . 1 . . . . 5 L CA . 15129 1 61 . 1 1 6 6 LEU CB C 13 39.692 0.1 . 1 . . . . 5 L CB . 15129 1 62 . 1 1 6 6 LEU CG C 13 28.113 0.1 . 1 . . . . 5 L CG . 15129 1 63 . 1 1 6 6 LEU CD1 C 13 22.485 0.1 . 1 . . . . 5 L CD1 . 15129 1 64 . 1 1 6 6 LEU CD2 C 13 22.314 0.1 . 1 . . . . 5 L CD2 . 15129 1 65 . 1 1 6 6 LEU N N 15 130.022 0.1 . 1 . . . . 5 L N . 15129 1 66 . 1 1 7 7 LYS H H 1 9.253 0.01 . 1 . . . . 6 K HN . 15129 1 67 . 1 1 7 7 LYS HA H 1 3.642 0.01 . 1 . . . . 6 K HA . 15129 1 68 . 1 1 7 7 LYS HB2 H 1 0.55 0.01 . 1 . . . . 6 K HB2 . 15129 1 69 . 1 1 7 7 LYS HB3 H 1 0.732 0.01 . 1 . . . . 6 K HB3 . 15129 1 70 . 1 1 7 7 LYS HG2 H 1 0.928 0.01 . 1 . . . . 6 K HG2 . 15129 1 71 . 1 1 7 7 LYS HG3 H 1 1.007 0.01 . 1 . . . . 6 K HG3 . 15129 1 72 . 1 1 7 7 LYS HD2 H 1 1.285 0.01 . 1 . . . . 6 K HD2 . 15129 1 73 . 1 1 7 7 LYS HD3 H 1 1.285 0.01 . 1 . . . . 6 K HD3 . 15129 1 74 . 1 1 7 7 LYS HE2 H 1 2.522 0.01 . 1 . . . . 6 K HE2 . 15129 1 75 . 1 1 7 7 LYS HE3 H 1 2.578 0.01 . 1 . . . . 6 K HE3 . 15129 1 76 . 1 1 7 7 LYS C C 13 174.21 0.1 . 1 . . . . 6 K CO . 15129 1 77 . 1 1 7 7 LYS CA C 13 57.371 0.1 . 1 . . . . 6 K CA . 15129 1 78 . 1 1 7 7 LYS CB C 13 32.971 0.1 . 1 . . . . 6 K CB . 15129 1 79 . 1 1 7 7 LYS CG C 13 25.128 0.1 . 1 . . . . 6 K CG . 15129 1 80 . 1 1 7 7 LYS CD C 13 29.059 0.1 . 1 . . . . 6 K CD . 15129 1 81 . 1 1 7 7 LYS CE C 13 41.324 0.1 . 1 . . . . 6 K CE . 15129 1 82 . 1 1 7 7 LYS N N 15 123.894 0.1 . 1 . . . . 6 K N . 15129 1 83 . 1 1 8 8 PHE H H 1 6.809 0.01 . 1 . . . . 7 F HN . 15129 1 84 . 1 1 8 8 PHE HA H 1 4.759 0.01 . 1 . . . . 7 F HA . 15129 1 85 . 1 1 8 8 PHE HB2 H 1 2.232 0.01 . 1 . . . . 7 F HB2 . 15129 1 86 . 1 1 8 8 PHE HB3 H 1 3.214 0.01 . 1 . . . . 7 F HB3 . 15129 1 87 . 1 1 8 8 PHE HD1 H 1 7.015 0.01 . 1 . . . . 7 F HD1 . 15129 1 88 . 1 1 8 8 PHE HD2 H 1 7.059 0.01 . 1 . . . . 7 F HD2 . 15129 1 89 . 1 1 8 8 PHE HE1 H 1 6.608 0.01 . 1 . . . . 7 F HE1 . 15129 1 90 . 1 1 8 8 PHE HE2 H 1 6.608 0.01 . 1 . . . . 7 F HE2 . 15129 1 91 . 1 1 8 8 PHE C C 13 173.35 0.1 . 1 . . . . 7 F CO . 15129 1 92 . 1 1 8 8 PHE CA C 13 53.247 0.1 . 1 . . . . 7 F CA . 15129 1 93 . 1 1 8 8 PHE CB C 13 43.195 0.1 . 1 . . . . 7 F CB . 15129 1 94 . 1 1 8 8 PHE N N 15 111.4 0.1 . 1 . . . . 7 F N . 15129 1 95 . 1 1 9 9 ASP H H 1 8.302 0.01 . 1 . . . . 8 D HN . 15129 1 96 . 1 1 9 9 ASP HA H 1 4.498 0.01 . 1 . . . . 8 D HA . 15129 1 97 . 1 1 9 9 ASP HB2 H 1 2.811 0.01 . 1 . . . . 8 D HB2 . 15129 1 98 . 1 1 9 9 ASP HB3 H 1 2.545 0.01 . 1 . . . . 8 D HB3 . 15129 1 99 . 1 1 9 9 ASP C C 13 175.525 0.1 . 1 . . . . 8 D CO . 15129 1 100 . 1 1 9 9 ASP CA C 13 54.864 0.1 . 1 . . . . 8 D CA . 15129 1 101 . 1 1 9 9 ASP CB C 13 41.464 0.1 . 1 . . . . 8 D CB . 15129 1 102 . 1 1 9 9 ASP N N 15 117.449 0.1 . 1 . . . . 8 D N . 15129 1 103 . 1 1 10 10 PHE H H 1 8.888 0.01 . 1 . . . . 9 F HN . 15129 1 104 . 1 1 10 10 PHE HA H 1 4.952 0.01 . 1 . . . . 9 F HA . 15129 1 105 . 1 1 10 10 PHE HB2 H 1 2.709 0.01 . 1 . . . . 9 F HB2 . 15129 1 106 . 1 1 10 10 PHE HB3 H 1 3.111 0.01 . 1 . . . . 9 F HB3 . 15129 1 107 . 1 1 10 10 PHE HD1 H 1 6.98 0.01 . 1 . . . . 9 F HD1 . 15129 1 108 . 1 1 10 10 PHE HD2 H 1 7.016 0.01 . 1 . . . . 9 F HD2 . 15129 1 109 . 1 1 10 10 PHE C C 13 174.26 0.1 . 1 . . . . 9 F CO . 15129 1 110 . 1 1 10 10 PHE CA C 13 57.435 0.1 . 1 . . . . 9 F CA . 15129 1 111 . 1 1 10 10 PHE CB C 13 42.412 0.1 . 1 . . . . 9 F CB . 15129 1 112 . 1 1 10 10 PHE N N 15 121.315 0.1 . 1 . . . . 9 F N . 15129 1 113 . 1 1 11 11 GLN H H 1 7.941 0.01 . 1 . . . . 10 Q HN . 15129 1 114 . 1 1 11 11 GLN HA H 1 4.222 0.01 . 1 . . . . 10 Q HA . 15129 1 115 . 1 1 11 11 GLN HB2 H 1 1.732 0.01 . 1 . . . . 10 Q HB2 . 15129 1 116 . 1 1 11 11 GLN HB3 H 1 1.78 0.01 . 1 . . . . 10 Q HB3 . 15129 1 117 . 1 1 11 11 GLN HG2 H 1 2.079 0.01 . 1 . . . . 10 Q HG2 . 15129 1 118 . 1 1 11 11 GLN HG3 H 1 2.142 0.01 . 1 . . . . 10 Q HG3 . 15129 1 119 . 1 1 11 11 GLN HE21 H 1 6.721 0.01 . 1 . . . . 10 Q HE21 . 15129 1 120 . 1 1 11 11 GLN HE22 H 1 7.61 0.01 . 1 . . . . 10 Q HE22 . 15129 1 121 . 1 1 11 11 GLN C C 13 173.57 0.1 . 1 . . . . 10 Q CO . 15129 1 122 . 1 1 11 11 GLN CA C 13 53.568 0.1 . 1 . . . . 10 Q CA . 15129 1 123 . 1 1 11 11 GLN CB C 13 29.159 0.1 . 1 . . . . 10 Q CB . 15129 1 124 . 1 1 11 11 GLN CG C 13 33.34 0.1 . 1 . . . . 10 Q CG . 15129 1 125 . 1 1 11 11 GLN N N 15 127.505 0.1 . 1 . . . . 10 Q N . 15129 1 126 . 1 1 11 11 GLN NE2 N 15 112.256 0.1 . 1 . . . . 10 Q NE . 15129 1 127 . 1 1 12 12 ALA H H 1 7.794 0.01 . 1 . . . . 11 A HN . 15129 1 128 . 1 1 12 12 ALA HA H 1 3.951 0.01 . 1 . . . . 11 A HA . 15129 1 129 . 1 1 12 12 ALA HB1 H 1 1.23 0.01 . 1 . . . . 11 A HB . 15129 1 130 . 1 1 12 12 ALA HB2 H 1 1.23 0.01 . 1 . . . . 11 A HB . 15129 1 131 . 1 1 12 12 ALA HB3 H 1 1.23 0.01 . 1 . . . . 11 A HB . 15129 1 132 . 1 1 12 12 ALA C C 13 179.123 0.1 . 1 . . . . 11 A CO . 15129 1 133 . 1 1 12 12 ALA CA C 13 52.86 0.1 . 1 . . . . 11 A CA . 15129 1 134 . 1 1 12 12 ALA CB C 13 21.497 0.1 . 1 . . . . 11 A CB . 15129 1 135 . 1 1 12 12 ALA N N 15 128.085 0.1 . 1 . . . . 11 A N . 15129 1 136 . 1 1 13 13 GLN H H 1 9.249 0.01 . 1 . . . . 12 Q HN . 15129 1 137 . 1 1 13 13 GLN HA H 1 4.37 0.01 . 1 . . . . 12 Q HA . 15129 1 138 . 1 1 13 13 GLN HB2 H 1 2.036 0.01 . 1 . . . . 12 Q HB2 . 15129 1 139 . 1 1 13 13 GLN HB3 H 1 2.247 0.01 . 1 . . . . 12 Q HB3 . 15129 1 140 . 1 1 13 13 GLN HG2 H 1 2.264 0.01 . 1 . . . . 12 Q HG2 . 15129 1 141 . 1 1 13 13 GLN HG3 H 1 2.404 0.01 . 1 . . . . 12 Q HG3 . 15129 1 142 . 1 1 13 13 GLN HE21 H 1 6.7 0.01 . 1 . . . . 12 Q HE21 . 15129 1 143 . 1 1 13 13 GLN HE22 H 1 7.521 0.01 . 1 . . . . 12 Q HE22 . 15129 1 144 . 1 1 13 13 GLN C C 13 175.061 0.1 . 1 . . . . 12 Q CO . 15129 1 145 . 1 1 13 13 GLN CA C 13 54.918 0.1 . 1 . . . . 12 Q CA . 15129 1 146 . 1 1 13 13 GLN CB C 13 30.164 0.1 . 1 . . . . 12 Q CB . 15129 1 147 . 1 1 13 13 GLN CG C 13 33.941 0.1 . 1 . . . . 12 Q CG . 15129 1 148 . 1 1 13 13 GLN N N 15 119.741 0.1 . 1 . . . . 12 Q N . 15129 1 149 . 1 1 13 13 GLN NE2 N 15 113.107 0.1 . 1 . . . . 12 Q NE . 15129 1 150 . 1 1 14 14 SER H H 1 7.553 0.01 . 1 . . . . 13 S HN . 15129 1 151 . 1 1 14 14 SER HA H 1 4.844 0.01 . 1 . . . . 13 S HA . 15129 1 152 . 1 1 14 14 SER HB2 H 1 3.977 0.01 . 1 . . . . 13 S HB2 . 15129 1 153 . 1 1 14 14 SER HB3 H 1 3.635 0.01 . 1 . . . . 13 S HB3 . 15129 1 154 . 1 1 14 14 SER C C 13 173.578 0.1 . 1 . . . . 13 S CO . 15129 1 155 . 1 1 14 14 SER CA C 13 56.155 0.1 . 1 . . . . 13 S CA . 15129 1 156 . 1 1 14 14 SER CB C 13 64.277 0.1 . 1 . . . . 13 S CB . 15129 1 157 . 1 1 14 14 SER N N 15 115.739 0.1 . 1 . . . . 13 S N . 15129 1 158 . 1 1 15 15 PRO HA H 1 4.436 0.01 . 1 . . . . 14 P HA . 15129 1 159 . 1 1 15 15 PRO HB2 H 1 1.886 0.01 . 1 . . . . 14 P HB2 . 15129 1 160 . 1 1 15 15 PRO HB3 H 1 2.387 0.01 . 1 . . . . 14 P HB3 . 15129 1 161 . 1 1 15 15 PRO HG2 H 1 1.979 0.01 . 1 . . . . 14 P HG2 . 15129 1 162 . 1 1 15 15 PRO HG3 H 1 1.979 0.01 . 1 . . . . 14 P HG3 . 15129 1 163 . 1 1 15 15 PRO HD2 H 1 3.808 0.01 . 1 . . . . 14 P HD2 . 15129 1 164 . 1 1 15 15 PRO HD3 H 1 3.725 0.01 . 1 . . . . 14 P HD3 . 15129 1 165 . 1 1 15 15 PRO CA C 13 64.883 0.1 . 1 . . . . 14 P CA . 15129 1 166 . 1 1 15 15 PRO CB C 13 32.263 0.1 . 1 . . . . 14 P CB . 15129 1 167 . 1 1 15 15 PRO CG C 13 27.503 0.1 . 1 . . . . 14 P CG . 15129 1 168 . 1 1 15 15 PRO CD C 13 23.162 0.1 . 1 . . . . 14 P CD . 15129 1 169 . 1 1 16 16 LYS H H 1 7.704 0.01 . 1 . . . . 15 K HN . 15129 1 170 . 1 1 16 16 LYS HA H 1 4.236 0.01 . 1 . . . . 15 K HA . 15129 1 171 . 1 1 16 16 LYS HB2 H 1 1.618 0.01 . 1 . . . . 15 K HB2 . 15129 1 172 . 1 1 16 16 LYS HB3 H 1 1.722 0.01 . 1 . . . . 15 K HB3 . 15129 1 173 . 1 1 16 16 LYS HG2 H 1 1.288 0.01 . 1 . . . . 15 K HG2 . 15129 1 174 . 1 1 16 16 LYS HG3 H 1 1.352 0.01 . 1 . . . . 15 K HG3 . 15129 1 175 . 1 1 16 16 LYS HD2 H 1 1.499 0.01 . 1 . . . . 15 K HD2 . 15129 1 176 . 1 1 16 16 LYS HD3 H 1 1.499 0.01 . 1 . . . . 15 K HD3 . 15129 1 177 . 1 1 16 16 LYS HE2 H 1 2.785 0.01 . 1 . . . . 15 K HE2 . 15129 1 178 . 1 1 16 16 LYS HE3 H 1 2.785 0.01 . 1 . . . . 15 K HE3 . 15129 1 179 . 1 1 16 16 LYS C C 13 177.14 0.1 . 1 . . . . 15 K CO . 15129 1 180 . 1 1 16 16 LYS CA C 13 56.739 0.1 . 1 . . . . 15 K CA . 15129 1 181 . 1 1 16 16 LYS CB C 13 32.803 0.1 . 1 . . . . 15 K CB . 15129 1 182 . 1 1 16 16 LYS CG C 13 24.937 0.1 . 1 . . . . 15 K CG . 15129 1 183 . 1 1 16 16 LYS CD C 13 28.783 0.1 . 1 . . . . 15 K CD . 15129 1 184 . 1 1 16 16 LYS CE C 13 41.662 0.1 . 1 . . . . 15 K CE . 15129 1 185 . 1 1 16 16 LYS N N 15 113.913 0.1 . 1 . . . . 15 K N . 15129 1 186 . 1 1 17 17 GLU H H 1 7.472 0.01 . 1 . . . . 16 E HN . 15129 1 187 . 1 1 17 17 GLU HA H 1 4.806 0.01 . 1 . . . . 16 E HA . 15129 1 188 . 1 1 17 17 GLU HB2 H 1 2.397 0.01 . 1 . . . . 16 E HB2 . 15129 1 189 . 1 1 17 17 GLU HB3 H 1 2.226 0.01 . 1 . . . . 16 E HB3 . 15129 1 190 . 1 1 17 17 GLU HG2 H 1 2.232 0.01 . 1 . . . . 16 E HG2 . 15129 1 191 . 1 1 17 17 GLU HG3 H 1 1.943 0.01 . 1 . . . . 16 E HG3 . 15129 1 192 . 1 1 17 17 GLU C C 13 173.928 0.1 . 1 . . . . 16 E CO . 15129 1 193 . 1 1 17 17 GLU CA C 13 55.289 0.1 . 1 . . . . 16 E CA . 15129 1 194 . 1 1 17 17 GLU CB C 13 32.339 0.1 . 1 . . . . 16 E CB . 15129 1 195 . 1 1 17 17 GLU CG C 13 36.893 0.1 . 1 . . . . 16 E CG . 15129 1 196 . 1 1 17 17 GLU N N 15 119.372 0.1 . 1 . . . . 16 E N . 15129 1 197 . 1 1 18 18 LEU H H 1 8.523 0.01 . 1 . . . . 17 L HN . 15129 1 198 . 1 1 18 18 LEU HA H 1 4.585 0.01 . 1 . . . . 17 L HA . 15129 1 199 . 1 1 18 18 LEU HB2 H 1 1.319 0.01 . 1 . . . . 17 L HB2 . 15129 1 200 . 1 1 18 18 LEU HB3 H 1 1.607 0.01 . 1 . . . . 17 L HB3 . 15129 1 201 . 1 1 18 18 LEU HG H 1 1.405 0.01 . 1 . . . . 17 L HG . 15129 1 202 . 1 1 18 18 LEU HD11 H 1 0.848 0.01 . 1 . . . . 17 L HD1 . 15129 1 203 . 1 1 18 18 LEU HD12 H 1 0.848 0.01 . 1 . . . . 17 L HD1 . 15129 1 204 . 1 1 18 18 LEU HD13 H 1 0.848 0.01 . 1 . . . . 17 L HD1 . 15129 1 205 . 1 1 18 18 LEU HD21 H 1 0.788 0.01 . 1 . . . . 17 L HD2 . 15129 1 206 . 1 1 18 18 LEU HD22 H 1 0.788 0.01 . 1 . . . . 17 L HD2 . 15129 1 207 . 1 1 18 18 LEU HD23 H 1 0.788 0.01 . 1 . . . . 17 L HD2 . 15129 1 208 . 1 1 18 18 LEU C C 13 174.31 0.1 . 1 . . . . 17 L CO . 15129 1 209 . 1 1 18 18 LEU CA C 13 53.235 0.1 . 1 . . . . 17 L CA . 15129 1 210 . 1 1 18 18 LEU CB C 13 44.76 0.1 . 1 . . . . 17 L CB . 15129 1 211 . 1 1 18 18 LEU CG C 13 26.863 0.1 . 1 . . . . 17 L CG . 15129 1 212 . 1 1 18 18 LEU CD1 C 13 25.057 0.1 . 1 . . . . 17 L CD1 . 15129 1 213 . 1 1 18 18 LEU CD2 C 13 24.447 0.1 . 1 . . . . 17 L CD2 . 15129 1 214 . 1 1 18 18 LEU N N 15 122.739 0.1 . 1 . . . . 17 L N . 15129 1 215 . 1 1 19 19 THR H H 1 7.967 0.01 . 1 . . . . 18 T HN . 15129 1 216 . 1 1 19 19 THR HA H 1 4.671 0.01 . 1 . . . . 18 T HA . 15129 1 217 . 1 1 19 19 THR HB H 1 3.97 0.01 . 1 . . . . 18 T HB . 15129 1 218 . 1 1 19 19 THR HG21 H 1 1.247 0.01 . 1 . . . . 18 T HG2 . 15129 1 219 . 1 1 19 19 THR HG22 H 1 1.247 0.01 . 1 . . . . 18 T HG2 . 15129 1 220 . 1 1 19 19 THR HG23 H 1 1.247 0.01 . 1 . . . . 18 T HG2 . 15129 1 221 . 1 1 19 19 THR C C 13 175.257 0.1 . 1 . . . . 18 T CO . 15129 1 222 . 1 1 19 19 THR CA C 13 63.441 0.1 . 1 . . . . 18 T CA . 15129 1 223 . 1 1 19 19 THR CB C 13 69.207 0.1 . 1 . . . . 18 T CB . 15129 1 224 . 1 1 19 19 THR CG2 C 13 22.681 0.1 . 1 . . . . 18 T CG2 . 15129 1 225 . 1 1 19 19 THR N N 15 119.344 0.1 . 1 . . . . 18 T N . 15129 1 226 . 1 1 20 20 LEU H H 1 9.363 0.01 . 1 . . . . 19 L HN . 15129 1 227 . 1 1 20 20 LEU HA H 1 4.54 0.01 . 1 . . . . 19 L HA . 15129 1 228 . 1 1 20 20 LEU HB2 H 1 1.417 0.01 . 1 . . . . 19 L HB2 . 15129 1 229 . 1 1 20 20 LEU HB3 H 1 1.283 0.01 . 1 . . . . 19 L HB3 . 15129 1 230 . 1 1 20 20 LEU HG H 1 1.382 0.01 . 1 . . . . 19 L HG . 15129 1 231 . 1 1 20 20 LEU HD11 H 1 0.183 0.01 . 1 . . . . 19 L HD1 . 15129 1 232 . 1 1 20 20 LEU HD12 H 1 0.183 0.01 . 1 . . . . 19 L HD1 . 15129 1 233 . 1 1 20 20 LEU HD13 H 1 0.183 0.01 . 1 . . . . 19 L HD1 . 15129 1 234 . 1 1 20 20 LEU HD21 H 1 0.304 0.01 . 1 . . . . 19 L HD2 . 15129 1 235 . 1 1 20 20 LEU HD22 H 1 0.304 0.01 . 1 . . . . 19 L HD2 . 15129 1 236 . 1 1 20 20 LEU HD23 H 1 0.304 0.01 . 1 . . . . 19 L HD2 . 15129 1 237 . 1 1 20 20 LEU C C 13 174.794 0.1 . 1 . . . . 19 L CO . 15129 1 238 . 1 1 20 20 LEU CA C 13 53.603 0.1 . 1 . . . . 19 L CA . 15129 1 239 . 1 1 20 20 LEU CB C 13 48.464 0.1 . 1 . . . . 19 L CB . 15129 1 240 . 1 1 20 20 LEU CG C 13 25.959 0.1 . 1 . . . . 19 L CG . 15129 1 241 . 1 1 20 20 LEU CD1 C 13 22.836 0.1 . 1 . . . . 19 L CD1 . 15129 1 242 . 1 1 20 20 LEU CD2 C 13 26.386 0.1 . 1 . . . . 19 L CD2 . 15129 1 243 . 1 1 20 20 LEU N N 15 129.931 0.1 . 1 . . . . 19 L N . 15129 1 244 . 1 1 21 21 GLN H H 1 9.123 0.01 . 1 . . . . 20 Q HN . 15129 1 245 . 1 1 21 21 GLN HA H 1 4.809 0.01 . 1 . . . . 20 Q HA . 15129 1 246 . 1 1 21 21 GLN HB2 H 1 1.895 0.01 . 1 . . . . 20 Q HB2 . 15129 1 247 . 1 1 21 21 GLN HB3 H 1 1.794 0.01 . 1 . . . . 20 Q HB3 . 15129 1 248 . 1 1 21 21 GLN HG2 H 1 2.23 0.01 . 1 . . . . 20 Q HG2 . 15129 1 249 . 1 1 21 21 GLN HG3 H 1 2.23 0.01 . 1 . . . . 20 Q HG3 . 15129 1 250 . 1 1 21 21 GLN HE21 H 1 6.734 0.01 . 1 . . . . 20 Q HE21 . 15129 1 251 . 1 1 21 21 GLN HE22 H 1 7.422 0.01 . 1 . . . . 20 Q HE22 . 15129 1 252 . 1 1 21 21 GLN C C 13 177.018 0.1 . 1 . . . . 20 Q CO . 15129 1 253 . 1 1 21 21 GLN CA C 13 53.392 0.1 . 1 . . . . 20 Q CA . 15129 1 254 . 1 1 21 21 GLN CB C 13 32.078 0.1 . 1 . . . . 20 Q CB . 15129 1 255 . 1 1 21 21 GLN CG C 13 34.809 0.1 . 1 . . . . 20 Q CG . 15129 1 256 . 1 1 21 21 GLN N N 15 122.534 0.1 . 1 . . . . 20 Q N . 15129 1 257 . 1 1 21 21 GLN NE2 N 15 129.253 0.1 . 1 . . . . 20 Q NE2 . 15129 1 258 . 1 1 22 22 LYS H H 1 9.101 0.01 . 1 . . . . 21 K HN . 15129 1 259 . 1 1 22 22 LYS HA H 1 3.131 0.01 . 1 . . . . 21 K HA . 15129 1 260 . 1 1 22 22 LYS HB2 H 1 1.411 0.01 . 1 . . . . 21 K HB2 . 15129 1 261 . 1 1 22 22 LYS HB3 H 1 1.526 0.01 . 1 . . . . 21 K HB3 . 15129 1 262 . 1 1 22 22 LYS HG2 H 1 0.981 0.01 . 1 . . . . 21 K HG2 . 15129 1 263 . 1 1 22 22 LYS HG3 H 1 0.981 0.01 . 1 . . . . 21 K HG3 . 15129 1 264 . 1 1 22 22 LYS HD2 H 1 1.566 0.01 . 1 . . . . 21 K HD2 . 15129 1 265 . 1 1 22 22 LYS HD3 H 1 1.566 0.01 . 1 . . . . 21 K HD3 . 15129 1 266 . 1 1 22 22 LYS HE2 H 1 2.837 0.01 . 1 . . . . 21 K HE2 . 15129 1 267 . 1 1 22 22 LYS HE3 H 1 2.837 0.01 . 1 . . . . 21 K HE3 . 15129 1 268 . 1 1 22 22 LYS C C 13 177.019 0.1 . 1 . . . . 21 K CO . 15129 1 269 . 1 1 22 22 LYS CA C 13 58.593 0.1 . 1 . . . . 21 K CA . 15129 1 270 . 1 1 22 22 LYS CB C 13 32.198 0.1 . 1 . . . . 21 K CB . 15129 1 271 . 1 1 22 22 LYS CG C 13 24.289 0.1 . 1 . . . . 21 K CG . 15129 1 272 . 1 1 22 22 LYS CD C 13 29.495 0.1 . 1 . . . . 21 K CD . 15129 1 273 . 1 1 22 22 LYS CE C 13 41.68 0.1 . 1 . . . . 21 K CE . 15129 1 274 . 1 1 22 22 LYS N N 15 122.156 0.1 . 1 . . . . 21 K N . 15129 1 275 . 1 1 23 23 GLY H H 1 8.691 0.01 . 1 . . . . 22 G HN . 15129 1 276 . 1 1 23 23 GLY HA2 H 1 4.376 0.01 . 1 . . . . 22 G HA2 . 15129 1 277 . 1 1 23 23 GLY HA3 H 1 3.272 0.01 . 1 . . . . 22 G HA3 . 15129 1 278 . 1 1 23 23 GLY C C 13 174.169 0.1 . 1 . . . . 22 G CO . 15129 1 279 . 1 1 23 23 GLY CA C 13 44.762 0.1 . 1 . . . . 22 G CA . 15129 1 280 . 1 1 23 23 GLY N N 15 115.46 0.1 . 1 . . . . 22 G N . 15129 1 281 . 1 1 24 24 ASP H H 1 8.408 0.01 . 1 . . . . 23 D HN . 15129 1 282 . 1 1 24 24 ASP HA H 1 4.445 0.01 . 1 . . . . 23 D HA . 15129 1 283 . 1 1 24 24 ASP HB2 H 1 1.781 0.01 . 1 . . . . 23 D HB2 . 15129 1 284 . 1 1 24 24 ASP HB3 H 1 2.489 0.01 . 1 . . . . 23 D HB3 . 15129 1 285 . 1 1 24 24 ASP C C 13 174.815 0.1 . 1 . . . . 23 D CO . 15129 1 286 . 1 1 24 24 ASP CA C 13 55.627 0.1 . 1 . . . . 23 D CA . 15129 1 287 . 1 1 24 24 ASP CB C 13 41.168 0.1 . 1 . . . . 23 D CB . 15129 1 288 . 1 1 24 24 ASP N N 15 122.889 0.1 . 1 . . . . 23 D N . 15129 1 289 . 1 1 25 25 ILE H H 1 8.393 0.01 . 1 . . . . 24 I HN . 15129 1 290 . 1 1 25 25 ILE HA H 1 4.882 0.01 . 1 . . . . 24 I HA . 15129 1 291 . 1 1 25 25 ILE HB H 1 1.795 0.01 . 1 . . . . 24 I HB . 15129 1 292 . 1 1 25 25 ILE HG12 H 1 1.215 0.01 . 1 . . . . 24 I HG12 . 15129 1 293 . 1 1 25 25 ILE HG13 H 1 1.456 0.01 . 1 . . . . 24 I HG13 . 15129 1 294 . 1 1 25 25 ILE HG21 H 1 0.661 0.01 . 1 . . . . 24 I HG2 . 15129 1 295 . 1 1 25 25 ILE HG22 H 1 0.661 0.01 . 1 . . . . 24 I HG2 . 15129 1 296 . 1 1 25 25 ILE HG23 H 1 0.661 0.01 . 1 . . . . 24 I HG2 . 15129 1 297 . 1 1 25 25 ILE HD11 H 1 0.492 0.01 . 1 . . . . 24 I HD1 . 15129 1 298 . 1 1 25 25 ILE HD12 H 1 0.492 0.01 . 1 . . . . 24 I HD1 . 15129 1 299 . 1 1 25 25 ILE HD13 H 1 0.492 0.01 . 1 . . . . 24 I HD1 . 15129 1 300 . 1 1 25 25 ILE C C 13 176.118 0.1 . 1 . . . . 24 I CO . 15129 1 301 . 1 1 25 25 ILE CA C 13 58.433 0.1 . 1 . . . . 24 I CA . 15129 1 302 . 1 1 25 25 ILE CB C 13 37.308 0.1 . 1 . . . . 24 I CB . 15129 1 303 . 1 1 25 25 ILE CG1 C 13 27.058 0.1 . 1 . . . . 24 I CG1 . 15129 1 304 . 1 1 25 25 ILE CG2 C 13 39.016 0.1 . 1 . . . . 24 I CG2 . 15129 1 305 . 1 1 25 25 ILE CD1 C 13 44.596 0.1 . 1 . . . . 24 I CD1 . 15129 1 306 . 1 1 25 25 ILE N N 15 119.983 0.1 . 1 . . . . 24 I N . 15129 1 307 . 1 1 26 26 VAL H H 1 8.803 0.01 . 1 . . . . 25 V HN . 15129 1 308 . 1 1 26 26 VAL HA H 1 4.784 0.01 . 1 . . . . 25 V HA . 15129 1 309 . 1 1 26 26 VAL HB H 1 1.508 0.01 . 1 . . . . 25 V HB . 15129 1 310 . 1 1 26 26 VAL HG11 H 1 0.273 0.01 . 1 . . . . 25 V HG1 . 15129 1 311 . 1 1 26 26 VAL HG12 H 1 0.273 0.01 . 1 . . . . 25 V HG1 . 15129 1 312 . 1 1 26 26 VAL HG13 H 1 0.273 0.01 . 1 . . . . 25 V HG1 . 15129 1 313 . 1 1 26 26 VAL HG21 H 1 0.207 0.01 . 1 . . . . 25 V HG2 . 15129 1 314 . 1 1 26 26 VAL HG22 H 1 0.207 0.01 . 1 . . . . 25 V HG2 . 15129 1 315 . 1 1 26 26 VAL HG23 H 1 0.207 0.01 . 1 . . . . 25 V HG2 . 15129 1 316 . 1 1 26 26 VAL C C 13 173.274 0.1 . 1 . . . . 25 V CO . 15129 1 317 . 1 1 26 26 VAL CA C 13 57.778 0.1 . 1 . . . . 25 V CA . 15129 1 318 . 1 1 26 26 VAL CB C 13 34.738 0.1 . 1 . . . . 25 V CB . 15129 1 319 . 1 1 26 26 VAL CG1 C 13 47.411 0.1 . 1 . . . . 25 V CG1 . 15129 1 320 . 1 1 26 26 VAL CG2 C 13 22.033 0.1 . 1 . . . . 25 V CG2 . 15129 1 321 . 1 1 26 26 VAL N N 15 122.04 0.1 . 1 . . . . 25 V N . 15129 1 322 . 1 1 27 27 TYR H H 1 8.224 0.01 . 1 . . . . 26 Y HN . 15129 1 323 . 1 1 27 27 TYR HA H 1 5.126 0.01 . 1 . . . . 26 Y HA . 15129 1 324 . 1 1 27 27 TYR HB2 H 1 2.941 0.01 . 1 . . . . 26 Y HB2 . 15129 1 325 . 1 1 27 27 TYR HB3 H 1 2.791 0.01 . 1 . . . . 26 Y HB3 . 15129 1 326 . 1 1 27 27 TYR HD1 H 1 6.872 0.01 . 1 . . . . 26 Y HD1 . 15129 1 327 . 1 1 27 27 TYR HD2 H 1 6.793 0.01 . 1 . . . . 26 Y HD2 . 15129 1 328 . 1 1 27 27 TYR HE1 H 1 6.324 0.01 . 1 . . . . 26 Y HE1 . 15129 1 329 . 1 1 27 27 TYR HE2 H 1 6.324 0.01 . 1 . . . . 26 Y HE2 . 15129 1 330 . 1 1 27 27 TYR C C 13 176.425 0.1 . 1 . . . . 26 Y CO . 15129 1 331 . 1 1 27 27 TYR CA C 13 56.615 0.1 . 1 . . . . 26 Y CA . 15129 1 332 . 1 1 27 27 TYR CB C 13 39.627 0.1 . 1 . . . . 26 Y CB . 15129 1 333 . 1 1 27 27 TYR CG C 13 129.934 0.1 . 1 . . . . 26 Y CG . 15129 1 334 . 1 1 27 27 TYR N N 15 119.494 0.1 . 1 . . . . 26 Y N . 15129 1 335 . 1 1 28 28 ILE H H 1 9.254 0.01 . 1 . . . . 27 I HN . 15129 1 336 . 1 1 28 28 ILE HA H 1 3.95 0.01 . 1 . . . . 27 I HA . 15129 1 337 . 1 1 28 28 ILE HB H 1 2.013 0.01 . 1 . . . . 27 I HB . 15129 1 338 . 1 1 28 28 ILE HG12 H 1 1.023 0.01 . 1 . . . . 27 I HG12 . 15129 1 339 . 1 1 28 28 ILE HG13 H 1 1.646 0.01 . 1 . . . . 27 I HG13 . 15129 1 340 . 1 1 28 28 ILE HG21 H 1 0.865 0.01 . 1 . . . . 27 I HG2 . 15129 1 341 . 1 1 28 28 ILE HG22 H 1 0.865 0.01 . 1 . . . . 27 I HG2 . 15129 1 342 . 1 1 28 28 ILE HG23 H 1 0.865 0.01 . 1 . . . . 27 I HG2 . 15129 1 343 . 1 1 28 28 ILE HD11 H 1 0.781 0.01 . 1 . . . . 27 I HD1 . 15129 1 344 . 1 1 28 28 ILE HD12 H 1 0.781 0.01 . 1 . . . . 27 I HD1 . 15129 1 345 . 1 1 28 28 ILE HD13 H 1 0.781 0.01 . 1 . . . . 27 I HD1 . 15129 1 346 . 1 1 28 28 ILE CA C 13 62.745 0.1 . 1 . . . . 27 I CA . 15129 1 347 . 1 1 28 28 ILE CB C 13 39.245 0.1 . 1 . . . . 27 I CB . 15129 1 348 . 1 1 28 28 ILE CG1 C 13 28.022 0.1 . 1 . . . . 27 I CG1 . 15129 1 349 . 1 1 28 28 ILE CG2 C 13 45.983 0.1 . 1 . . . . 27 I CG2 . 15129 1 350 . 1 1 28 28 ILE CD1 C 13 42.581 0.1 . 1 . . . . 27 I CD1 . 15129 1 351 . 1 1 28 28 ILE N N 15 124.407 0.1 . 1 . . . . 27 I N . 15129 1 352 . 1 1 29 29 HIS H H 1 9.946 0.01 . 1 . . . . 28 H NH . 15129 1 353 . 1 1 29 29 HIS HA H 1 4.843 0.01 . 1 . . . . 28 H HA . 15129 1 354 . 1 1 29 29 HIS HB2 H 1 3.004 0.01 . 1 . . . . 28 H HB2 . 15129 1 355 . 1 1 29 29 HIS HB3 H 1 3.16 0.01 . 1 . . . . 28 H HB3 . 15129 1 356 . 1 1 29 29 HIS C C 13 175.099 0.1 . 1 . . . . 28 H CO . 15129 1 357 . 1 1 29 29 HIS CA C 13 56.836 0.1 . 1 . . . . 28 H CA . 15129 1 358 . 1 1 29 29 HIS CB C 13 31.416 0.1 . 1 . . . . 28 H CB . 15129 1 359 . 1 1 29 29 HIS N N 15 126.633 0.01 . 1 . . . . 28 H N . 15129 1 360 . 1 1 29 29 HIS HD1 H 1 9.83 0.01 . 1 . . . . 28 H ND1 . 15129 1 361 . 1 1 30 30 LYS H H 1 7.97 0.01 . 1 . . . . 29 K HN . 15129 1 362 . 1 1 30 30 LYS HA H 1 4.581 0.01 . 1 . . . . 29 K HA . 15129 1 363 . 1 1 30 30 LYS HB2 H 1 1.992 0.01 . 1 . . . . 29 K HB2 . 15129 1 364 . 1 1 30 30 LYS HB3 H 1 1.701 0.01 . 1 . . . . 29 K HB3 . 15129 1 365 . 1 1 30 30 LYS HG2 H 1 0.991 0.01 . 1 . . . . 29 K HG2 . 15129 1 366 . 1 1 30 30 LYS HG3 H 1 1.247 0.01 . 1 . . . . 29 K HG3 . 15129 1 367 . 1 1 30 30 LYS HD2 H 1 1.563 0.01 . 1 . . . . 29 K HD2 . 15129 1 368 . 1 1 30 30 LYS HD3 H 1 1.563 0.01 . 1 . . . . 29 K HD3 . 15129 1 369 . 1 1 30 30 LYS HE2 H 1 2.814 0.01 . 1 . . . . 29 K HE2 . 15129 1 370 . 1 1 30 30 LYS HE3 H 1 2.814 0.01 . 1 . . . . 29 K HE3 . 15129 1 371 . 1 1 30 30 LYS C C 13 173.82 0.1 . 1 . . . . 29 K CO . 15129 1 372 . 1 1 30 30 LYS CA C 13 55.55 0.1 . 1 . . . . 29 K CA . 15129 1 373 . 1 1 30 30 LYS CB C 13 34.713 0.1 . 1 . . . . 29 K CB . 15129 1 374 . 1 1 30 30 LYS CG C 13 23.532 0.1 . 1 . . . . 29 K CG . 15129 1 375 . 1 1 30 30 LYS CD C 13 29.276 0.1 . 1 . . . . 29 K CD . 15129 1 376 . 1 1 30 30 LYS CE C 13 41.761 0.1 . 1 . . . . 29 K CE . 15129 1 377 . 1 1 30 30 LYS N N 15 113.746 0.1 . 1 . . . . 29 K N . 15129 1 378 . 1 1 31 31 GLU H H 1 8.613 0.01 . 1 . . . . 30 E HN . 15129 1 379 . 1 1 31 31 GLU HA H 1 4.485 0.01 . 1 . . . . 30 E HA . 15129 1 380 . 1 1 31 31 GLU HB2 H 1 1.883 0.01 . 1 . . . . 30 E HB2 . 15129 1 381 . 1 1 31 31 GLU HB3 H 1 1.883 0.01 . 1 . . . . 30 E HB3 . 15129 1 382 . 1 1 31 31 GLU HG2 H 1 2.03 0.01 . 1 . . . . 30 E HG2 . 15129 1 383 . 1 1 31 31 GLU HG3 H 1 2.107 0.01 . 1 . . . . 30 E HG3 . 15129 1 384 . 1 1 31 31 GLU C C 13 175.176 0.1 . 1 . . . . 30 E CO . 15129 1 385 . 1 1 31 31 GLU CA C 13 55.99 0.1 . 1 . . . . 30 E CA . 15129 1 386 . 1 1 31 31 GLU CB C 13 29.559 0.1 . 1 . . . . 30 E CB . 15129 1 387 . 1 1 31 31 GLU CG C 13 36.187 0.1 . 1 . . . . 30 E CG . 15129 1 388 . 1 1 31 31 GLU N N 15 120.957 0.1 . 1 . . . . 30 E N . 15129 1 389 . 1 1 32 32 VAL H H 1 8.393 0.01 . 1 . . . . 31 V HN . 15129 1 390 . 1 1 32 32 VAL HA H 1 3.794 0.01 . 1 . . . . 31 V HA . 15129 1 391 . 1 1 32 32 VAL HB H 1 1.847 0.01 . 1 . . . . 31 V HB . 15129 1 392 . 1 1 32 32 VAL HG11 H 1 0.759 0.01 . 1 . . . . 31 V HG1 . 15129 1 393 . 1 1 32 32 VAL HG12 H 1 0.759 0.01 . 1 . . . . 31 V HG1 . 15129 1 394 . 1 1 32 32 VAL HG13 H 1 0.759 0.01 . 1 . . . . 31 V HG1 . 15129 1 395 . 1 1 32 32 VAL HG21 H 1 0.819 0.01 . 1 . . . . 31 V HG2 . 15129 1 396 . 1 1 32 32 VAL HG22 H 1 0.819 0.01 . 1 . . . . 31 V HG2 . 15129 1 397 . 1 1 32 32 VAL HG23 H 1 0.819 0.01 . 1 . . . . 31 V HG2 . 15129 1 398 . 1 1 32 32 VAL C C 13 175.45 0.1 . 1 . . . . 31 V CO . 15129 1 399 . 1 1 32 32 VAL CA C 13 64.615 0.1 . 1 . . . . 31 V CA . 15129 1 400 . 1 1 32 32 VAL CB C 13 32.477 0.1 . 1 . . . . 31 V CB . 15129 1 401 . 1 1 32 32 VAL CG1 C 13 21.828 0.1 . 1 . . . . 31 V CG1 . 15129 1 402 . 1 1 32 32 VAL CG2 C 13 48.617 0.1 . 1 . . . . 31 V CG2 . 15129 1 403 . 1 1 32 32 VAL N N 15 125.884 0.1 . 1 . . . . 31 V N . 15129 1 404 . 1 1 33 33 ASP H H 1 8.291 0.01 . 1 . . . . 32 D HN . 15129 1 405 . 1 1 33 33 ASP HA H 1 4.384 0.01 . 1 . . . . 32 D HA . 15129 1 406 . 1 1 33 33 ASP HB2 H 1 3.011 0.01 . 1 . . . . 32 D HB2 . 15129 1 407 . 1 1 33 33 ASP HB3 H 1 3.011 0.01 . 1 . . . . 32 D HB3 . 15129 1 408 . 1 1 33 33 ASP C C 13 173.993 0.1 . 1 . . . . 32 D CO . 15129 1 409 . 1 1 33 33 ASP CA C 13 53.306 0.1 . 1 . . . . 32 D CA . 15129 1 410 . 1 1 33 33 ASP CB C 13 40.318 0.1 . 1 . . . . 32 D CB . 15129 1 411 . 1 1 33 33 ASP N N 15 118.426 0.1 . 1 . . . . 32 D N . 15129 1 412 . 1 1 34 34 LYS H H 1 8.149 0.01 . 1 . . . . 33 K HN . 15129 1 413 . 1 1 34 34 LYS HA H 1 4.002 0.01 . 1 . . . . 33 K HA . 15129 1 414 . 1 1 34 34 LYS HB2 H 1 1.685 0.01 . 1 . . . . 33 K HB2 . 15129 1 415 . 1 1 34 34 LYS HB3 H 1 1.732 0.01 . 1 . . . . 33 K HB3 . 15129 1 416 . 1 1 34 34 LYS HG2 H 1 1.344 0.01 . 1 . . . . 33 K HG2 . 15129 1 417 . 1 1 34 34 LYS HG3 H 1 1.344 0.01 . 1 . . . . 33 K HG3 . 15129 1 418 . 1 1 34 34 LYS HD2 H 1 1.595 0.01 . 1 . . . . 33 K HD2 . 15129 1 419 . 1 1 34 34 LYS HD3 H 1 1.595 0.01 . 1 . . . . 33 K HD3 . 15129 1 420 . 1 1 34 34 LYS HE2 H 1 2.907 0.01 . 1 . . . . 33 K HE2 . 15129 1 421 . 1 1 34 34 LYS HE3 H 1 2.907 0.01 . 1 . . . . 33 K HE3 . 15129 1 422 . 1 1 34 34 LYS C C 13 176.779 0.1 . 1 . . . . 33 K CO . 15129 1 423 . 1 1 34 34 LYS CA C 13 58.412 0.1 . 1 . . . . 33 K CA . 15129 1 424 . 1 1 34 34 LYS CB C 13 31.814 0.1 . 1 . . . . 33 K CB . 15129 1 425 . 1 1 34 34 LYS CG C 13 24.314 0.1 . 1 . . . . 33 K CG . 15129 1 426 . 1 1 34 34 LYS CD C 13 28.736 0.1 . 1 . . . . 33 K CD . 15129 1 427 . 1 1 34 34 LYS CE C 13 41.861 0.1 . 1 . . . . 33 K CE . 15129 1 428 . 1 1 34 34 LYS N N 15 114.037 0.1 . 1 . . . . 33 K N . 15129 1 429 . 1 1 35 35 ASN H H 1 8.72 0.01 . 1 . . . . 34 N HN . 15129 1 430 . 1 1 35 35 ASN HA H 1 4.651 0.01 . 1 . . . . 34 N HA . 15129 1 431 . 1 1 35 35 ASN HB2 H 1 2.644 0.01 . 1 . . . . 34 N HB2 . 15129 1 432 . 1 1 35 35 ASN HB3 H 1 2.304 0.01 . 1 . . . . 34 N HB3 . 15129 1 433 . 1 1 35 35 ASN HD21 H 1 6.78 0.01 . 1 . . . . 34 N HD21 . 15129 1 434 . 1 1 35 35 ASN HD22 H 1 7.723 0.01 . 1 . . . . 34 N HD22 . 15129 1 435 . 1 1 35 35 ASN C C 13 175.963 0.1 . 1 . . . . 34 N CO . 15129 1 436 . 1 1 35 35 ASN CA C 13 53.816 0.1 . 1 . . . . 34 N CA . 15129 1 437 . 1 1 35 35 ASN CB C 13 40.831 0.1 . 1 . . . . 34 N CB . 15129 1 438 . 1 1 35 35 ASN CG C 13 172.524 0.1 . 1 . . . . 34 N CG . 15129 1 439 . 1 1 35 35 ASN N N 15 114.458 0.1 . 1 . . . . 34 N N . 15129 1 440 . 1 1 35 35 ASN ND2 N 15 114.135 0.1 . 1 . . . . 34 N ND2 . 15129 1 441 . 1 1 36 36 TRP H H 1 8.159 0.01 . 1 . . . . 35 W HN . 15129 1 442 . 1 1 36 36 TRP HA H 1 4.757 0.01 . 1 . . . . 35 W HA . 15129 1 443 . 1 1 36 36 TRP HB2 H 1 2.722 0.01 . 1 . . . . 35 W HB2 . 15129 1 444 . 1 1 36 36 TRP HB3 H 1 2.787 0.01 . 1 . . . . 35 W HB3 . 15129 1 445 . 1 1 36 36 TRP HD1 H 1 6.941 0.01 . 1 . . . . 35 W HD1 . 15129 1 446 . 1 1 36 36 TRP HE1 H 1 10.421 0.01 . 1 . . . . 35 W HE1 . 15129 1 447 . 1 1 36 36 TRP HE3 H 1 6.832 0.01 . 1 . . . . 35 W HE3 . 15129 1 448 . 1 1 36 36 TRP HH2 H 1 6.832 0.01 . 1 . . . . 35 W HH2 . 15129 1 449 . 1 1 36 36 TRP C C 13 173.844 0.1 . 1 . . . . 35 W CO . 15129 1 450 . 1 1 36 36 TRP CA C 13 57.047 0.1 . 1 . . . . 35 W CA . 15129 1 451 . 1 1 36 36 TRP CB C 13 32.022 0.1 . 1 . . . . 35 W CB . 15129 1 452 . 1 1 36 36 TRP CG C 13 108.566 0.1 . 1 . . . . 35 W CG . 15129 1 453 . 1 1 36 36 TRP CD1 C 13 123.723 0.1 . 1 . . . . 35 W CD1 . 15129 1 454 . 1 1 36 36 TRP CD2 C 13 123.723 0.1 . 1 . . . . 35 W CD2 . 15129 1 455 . 1 1 36 36 TRP N N 15 122.194 0.1 . 1 . . . . 35 W N . 15129 1 456 . 1 1 36 36 TRP NE1 N 15 129.43 0.1 . 1 . . . . 35 W NE1 . 15129 1 457 . 1 1 37 37 LEU H H 1 8.695 0.01 . 1 . . . . 36 L HN . 15129 1 458 . 1 1 37 37 LEU HA H 1 4.681 0.01 . 1 . . . . 36 L HA . 15129 1 459 . 1 1 37 37 LEU HB2 H 1 0.878 0.01 . 1 . . . . 36 L HB2 . 15129 1 460 . 1 1 37 37 LEU HB3 H 1 0.878 0.01 . 1 . . . . 36 L HB3 . 15129 1 461 . 1 1 37 37 LEU HG H 1 1.245 0.01 . 1 . . . . 36 L HG . 15129 1 462 . 1 1 37 37 LEU HD11 H 1 0.865 0.01 . 1 . . . . 36 L HD1 . 15129 1 463 . 1 1 37 37 LEU HD12 H 1 0.865 0.01 . 1 . . . . 36 L HD1 . 15129 1 464 . 1 1 37 37 LEU HD13 H 1 0.865 0.01 . 1 . . . . 36 L HD1 . 15129 1 465 . 1 1 37 37 LEU HD21 H 1 0.829 0.01 . 1 . . . . 36 L HD2 . 15129 1 466 . 1 1 37 37 LEU HD22 H 1 0.829 0.01 . 1 . . . . 36 L HD2 . 15129 1 467 . 1 1 37 37 LEU HD23 H 1 0.829 0.01 . 1 . . . . 36 L HD2 . 15129 1 468 . 1 1 37 37 LEU C C 13 174.504 0.1 . 1 . . . . 36 L CO . 15129 1 469 . 1 1 37 37 LEU CA C 13 52.807 0.1 . 1 . . . . 36 L CA . 15129 1 470 . 1 1 37 37 LEU CB C 13 44.734 0.1 . 1 . . . . 36 L CB . 15129 1 471 . 1 1 37 37 LEU CG C 13 26.723 0.1 . 1 . . . . 36 L CG . 15129 1 472 . 1 1 37 37 LEU CD1 C 13 23.493 0.1 . 1 . . . . 36 L CD1 . 15129 1 473 . 1 1 37 37 LEU CD2 C 13 26.549 0.1 . 1 . . . . 36 L CD2 . 15129 1 474 . 1 1 37 37 LEU N N 15 121.601 0.1 . 1 . . . . 36 L N . 15129 1 475 . 1 1 38 38 GLU H H 1 8.589 0.01 . 1 . . . . 37 E HN . 15129 1 476 . 1 1 38 38 GLU HA H 1 4.861 0.01 . 1 . . . . 37 E HA . 15129 1 477 . 1 1 38 38 GLU HB2 H 1 1.687 0.01 . 1 . . . . 37 E HB2 . 15129 1 478 . 1 1 38 38 GLU HB3 H 1 1.946 0.01 . 1 . . . . 37 E HB3 . 15129 1 479 . 1 1 38 38 GLU HG2 H 1 1.951 0.01 . 1 . . . . 37 E HG2 . 15129 1 480 . 1 1 38 38 GLU HG3 H 1 1.827 0.01 . 1 . . . . 37 E HG3 . 15129 1 481 . 1 1 38 38 GLU C C 13 176.642 0.1 . 1 . . . . 37 E CO . 15129 1 482 . 1 1 38 38 GLU CA C 13 53.973 0.1 . 1 . . . . 37 E CA . 15129 1 483 . 1 1 38 38 GLU CB C 13 32.712 0.1 . 1 . . . . 37 E CB . 15129 1 484 . 1 1 38 38 GLU CG C 13 37.53 0.1 . 1 . . . . 37 E CG . 15129 1 485 . 1 1 38 38 GLU N N 15 118.288 0.1 . 1 . . . . 37 E N . 15129 1 486 . 1 1 39 39 GLY H H 1 9.281 0.01 . 1 . . . . 38 G HN . 15129 1 487 . 1 1 39 39 GLY HA2 H 1 4.349 0.01 . 1 . . . . 38 G HA2 . 15129 1 488 . 1 1 39 39 GLY HA3 H 1 4.287 0.01 . 1 . . . . 38 G HA3 . 15129 1 489 . 1 1 39 39 GLY C C 13 169.18 0.1 . 1 . . . . 38 G CO . 15129 1 490 . 1 1 39 39 GLY CA C 13 46.465 0.1 . 1 . . . . 38 G CA . 15129 1 491 . 1 1 39 39 GLY N N 15 115.313 0.1 . 1 . . . . 38 G N . 15129 1 492 . 1 1 40 40 GLU H H 1 8.871 0.01 . 1 . . . . 39 E HN . 15129 1 493 . 1 1 40 40 GLU HA H 1 5.892 0.01 . 1 . . . . 39 E HA . 15129 1 494 . 1 1 40 40 GLU HB2 H 1 1.796 0.01 . 1 . . . . 39 E HB2 . 15129 1 495 . 1 1 40 40 GLU HB3 H 1 1.969 0.01 . 1 . . . . 39 E HB3 . 15129 1 496 . 1 1 40 40 GLU HG2 H 1 2.254 0.01 . 1 . . . . 39 E HG2 . 15129 1 497 . 1 1 40 40 GLU HG3 H 1 2.254 0.01 . 1 . . . . 39 E HG3 . 15129 1 498 . 1 1 40 40 GLU C C 13 174.719 0.1 . 1 . . . . 39 E CO . 15129 1 499 . 1 1 40 40 GLU CA C 13 53.523 0.1 . 1 . . . . 39 E CA . 15129 1 500 . 1 1 40 40 GLU CB C 13 35.116 0.1 . 1 . . . . 39 E CB . 15129 1 501 . 1 1 40 40 GLU CG C 13 36.506 0.1 . 1 . . . . 39 E CG . 15129 1 502 . 1 1 40 40 GLU CD C 13 145.522 0.1 . 1 . . . . 39 E CD . 15129 1 503 . 1 1 40 40 GLU N N 15 116.777 0.1 . 1 . . . . 39 E N . 15129 1 504 . 1 1 41 41 HIS H H 1 8.811 0.01 . 1 . . . . 40 H HN . 15129 1 505 . 1 1 41 41 HIS HA H 1 4.819 0.01 . 1 . . . . 40 H HA . 15129 1 506 . 1 1 41 41 HIS HB2 H 1 2.816 0.01 . 1 . . . . 40 H HB2 . 15129 1 507 . 1 1 41 41 HIS HB3 H 1 2.922 0.01 . 1 . . . . 40 H HB3 . 15129 1 508 . 1 1 41 41 HIS CA C 13 56.026 0.1 . 1 . . . . 40 H CA . 15129 1 509 . 1 1 41 41 HIS CB C 13 33.645 0.1 . 1 . . . . 40 H CB . 15129 1 510 . 1 1 41 41 HIS N N 15 120.652 0.1 . 1 . . . . 40 H N . 15129 1 511 . 1 1 42 42 HIS H H 1 9.594 0.01 . 1 . . . . 41 H HN . 15129 1 512 . 1 1 42 42 HIS HA H 1 4.189 0.01 . 1 . . . . 41 H HA . 15129 1 513 . 1 1 42 42 HIS HB2 H 1 2.807 0.01 . 1 . . . . 41 H HB2 . 15129 1 514 . 1 1 42 42 HIS HB3 H 1 3.211 0.01 . 1 . . . . 41 H HB3 . 15129 1 515 . 1 1 42 42 HIS C C 13 174.794 0.1 . 1 . . . . 41 H CO . 15129 1 516 . 1 1 42 42 HIS CA C 13 55.219 0.1 . 1 . . . . 41 H CA . 15129 1 517 . 1 1 42 42 HIS CB C 13 27.346 0.1 . 1 . . . . 41 H CB . 15129 1 518 . 1 1 42 42 HIS N N 15 127.151 0.1 . 1 . . . . 41 H N . 15129 1 519 . 1 1 43 43 GLY H H 1 9.181 0.01 . 1 . . . . 42 G HN . 15129 1 520 . 1 1 43 43 GLY HA2 H 1 4.108 0.01 . 1 . . . . 42 G HA2 . 15129 1 521 . 1 1 43 43 GLY HA3 H 1 3.627 0.01 . 1 . . . . 42 G HA3 . 15129 1 522 . 1 1 43 43 GLY C C 13 173.566 0.1 . 1 . . . . 42 G CO . 15129 1 523 . 1 1 43 43 GLY CA C 13 45.475 0.1 . 1 . . . . 42 G CA . 15129 1 524 . 1 1 43 43 GLY N N 15 104.734 0.1 . 1 . . . . 42 G N . 15129 1 525 . 1 1 44 44 ARG H H 1 7.847 0.01 . 1 . . . . 43 R HN . 15129 1 526 . 1 1 44 44 ARG HA H 1 4.547 0.01 . 1 . . . . 43 R HA . 15129 1 527 . 1 1 44 44 ARG HB2 H 1 1.97 0.01 . 1 . . . . 43 R HB2 . 15129 1 528 . 1 1 44 44 ARG HB3 H 1 1.853 0.01 . 1 . . . . 43 R HB3 . 15129 1 529 . 1 1 44 44 ARG HG2 H 1 1.588 0.01 . 1 . . . . 43 R HG2 . 15129 1 530 . 1 1 44 44 ARG HG3 H 1 1.723 0.01 . 1 . . . . 43 R HG3 . 15129 1 531 . 1 1 44 44 ARG HD2 H 1 3.288 0.01 . 1 . . . . 43 R HD2 . 15129 1 532 . 1 1 44 44 ARG HD3 H 1 3.288 0.01 . 1 . . . . 43 R HD3 . 15129 1 533 . 1 1 44 44 ARG C C 13 174.141 0.1 . 1 . . . . 43 R CO . 15129 1 534 . 1 1 44 44 ARG CA C 13 55.024 0.1 . 1 . . . . 43 R CA . 15129 1 535 . 1 1 44 44 ARG CB C 13 31.7 0.1 . 1 . . . . 43 R CB . 15129 1 536 . 1 1 44 44 ARG CG C 13 27.23 0.1 . 1 . . . . 43 R CG . 15129 1 537 . 1 1 44 44 ARG CD C 13 43.476 0.1 . 1 . . . . 43 R CD . 15129 1 538 . 1 1 44 44 ARG N N 15 121.834 0.1 . 1 . . . . 43 R N . 15129 1 539 . 1 1 45 45 LEU H H 1 8.386 0.01 . 1 . . . . 44 L HN . 15129 1 540 . 1 1 45 45 LEU HA H 1 5.203 0.01 . 1 . . . . 44 L HA . 15129 1 541 . 1 1 45 45 LEU HB2 H 1 1.471 0.01 . 1 . . . . 44 L HB2 . 15129 1 542 . 1 1 45 45 LEU HB3 H 1 1.61 0.01 . 1 . . . . 44 L HB3 . 15129 1 543 . 1 1 45 45 LEU HG H 1 1.454 0.01 . 1 . . . . 44 L HG . 15129 1 544 . 1 1 45 45 LEU HD11 H 1 0.657 0.01 . 1 . . . . 44 L HD1 . 15129 1 545 . 1 1 45 45 LEU HD12 H 1 0.657 0.01 . 1 . . . . 44 L HD1 . 15129 1 546 . 1 1 45 45 LEU HD13 H 1 0.657 0.01 . 1 . . . . 44 L HD1 . 15129 1 547 . 1 1 45 45 LEU HD21 H 1 0.685 0.01 . 1 . . . . 44 L HD2 . 15129 1 548 . 1 1 45 45 LEU HD22 H 1 0.685 0.01 . 1 . . . . 44 L HD2 . 15129 1 549 . 1 1 45 45 LEU HD23 H 1 0.685 0.01 . 1 . . . . 44 L HD2 . 15129 1 550 . 1 1 45 45 LEU C C 13 177.371 0.1 . 1 . . . . 44 L CO . 15129 1 551 . 1 1 45 45 LEU CA C 13 53.67 0.1 . 1 . . . . 44 L CA . 15129 1 552 . 1 1 45 45 LEU CB C 13 44.766 0.1 . 1 . . . . 44 L CB . 15129 1 553 . 1 1 45 45 LEU CG C 13 27.638 0.1 . 1 . . . . 44 L CG . 15129 1 554 . 1 1 45 45 LEU CD1 C 13 24.356 0.1 . 1 . . . . 44 L CD1 . 15129 1 555 . 1 1 45 45 LEU CD2 C 13 24.627 0.1 . 1 . . . . 44 L CD2 . 15129 1 556 . 1 1 45 45 LEU N N 15 124.598 0.1 . 1 . . . . 44 L N . 15129 1 557 . 1 1 46 46 GLY H H 1 8.815 0.01 . 1 . . . . 45 G HN . 15129 1 558 . 1 1 46 46 GLY HA2 H 1 4.306 0.01 . 1 . . . . 45 G HA2 . 15129 1 559 . 1 1 46 46 GLY HA3 H 1 4.032 0.01 . 1 . . . . 45 G HA3 . 15129 1 560 . 1 1 46 46 GLY C C 13 171.056 0.1 . 1 . . . . 45 G CO . 15129 1 561 . 1 1 46 46 GLY CA C 13 46.058 0.1 . 1 . . . . 45 G CA . 15129 1 562 . 1 1 46 46 GLY N N 15 111.111 0.1 . 1 . . . . 45 G N . 15129 1 563 . 1 1 47 47 ILE H H 1 8.366 0.01 . 1 . . . . 46 I HN . 15129 1 564 . 1 1 47 47 ILE HA H 1 5.858 0.01 . 1 . . . . 46 I HA . 15129 1 565 . 1 1 47 47 ILE HB H 1 1.784 0.01 . 1 . . . . 46 I HB . 15129 1 566 . 1 1 47 47 ILE HG12 H 1 1.217 0.01 . 1 . . . . 46 I HG12 . 15129 1 567 . 1 1 47 47 ILE HG13 H 1 0.72 0.01 . 1 . . . . 46 I HG13 . 15129 1 568 . 1 1 47 47 ILE HG21 H 1 0.08 0.01 . 1 . . . . 46 I HG2 . 15129 1 569 . 1 1 47 47 ILE HG22 H 1 0.08 0.01 . 1 . . . . 46 I HG2 . 15129 1 570 . 1 1 47 47 ILE HG23 H 1 0.08 0.01 . 1 . . . . 46 I HG2 . 15129 1 571 . 1 1 47 47 ILE HD11 H 1 0.717 0.01 . 1 . . . . 46 I HD1 . 15129 1 572 . 1 1 47 47 ILE HD12 H 1 0.717 0.01 . 1 . . . . 46 I HD1 . 15129 1 573 . 1 1 47 47 ILE HD13 H 1 0.717 0.01 . 1 . . . . 46 I HD1 . 15129 1 574 . 1 1 47 47 ILE C C 13 175.839 0.1 . 1 . . . . 46 I CO . 15129 1 575 . 1 1 47 47 ILE CA C 13 59.427 0.1 . 1 . . . . 46 I CA . 15129 1 576 . 1 1 47 47 ILE CB C 13 41.185 0.1 . 1 . . . . 46 I CB . 15129 1 577 . 1 1 47 47 ILE CG1 C 13 26.232 0.1 . 1 . . . . 46 I CG1 . 15129 1 578 . 1 1 47 47 ILE CG2 C 13 40.627 0.1 . 1 . . . . 46 I CG2 . 15129 1 579 . 1 1 47 47 ILE CD1 C 13 17.437 0.1 . 1 . . . . 46 I CD1 . 15129 1 580 . 1 1 47 47 ILE N N 15 112.868 0.1 . 1 . . . . 46 I N . 15129 1 581 . 1 1 48 48 PHE H H 1 8.188 0.01 . 1 . . . . 47 F HN . 15129 1 582 . 1 1 48 48 PHE HA H 1 4.738 0.01 . 1 . . . . 47 F HA . 15129 1 583 . 1 1 48 48 PHE HB2 H 1 2.205 0.01 . 1 . . . . 47 F HB2 . 15129 1 584 . 1 1 48 48 PHE HB3 H 1 3.183 0.01 . 1 . . . . 47 F HB3 . 15129 1 585 . 1 1 48 48 PHE HD1 H 1 6.743 0.01 . 1 . . . . 47 F HD# . 15129 1 586 . 1 1 48 48 PHE HD2 H 1 6.743 0.01 . 1 . . . . 47 F HD# . 15129 1 587 . 1 1 48 48 PHE HE1 H 1 7.085 0.01 . 1 . . . . 47 F HE# . 15129 1 588 . 1 1 48 48 PHE HE2 H 1 7.085 0.01 . 1 . . . . 47 F HE# . 15129 1 589 . 1 1 48 48 PHE C C 13 171.325 0.1 . 1 . . . . 47 F CO . 15129 1 590 . 1 1 48 48 PHE CA C 13 54.547 0.1 . 1 . . . . 47 F CA . 15129 1 591 . 1 1 48 48 PHE CB C 13 37.135 0.1 . 1 . . . . 47 F CB . 15129 1 592 . 1 1 48 48 PHE N N 15 115.646 0.1 . 1 . . . . 47 F N . 15129 1 593 . 1 1 49 49 PRO HA H 1 3.672 0.01 . 1 . . . . 48 P HA . 15129 1 594 . 1 1 49 49 PRO HB2 H 1 1.415 0.01 . 1 . . . . 48 P HB2 . 15129 1 595 . 1 1 49 49 PRO HB3 H 1 1.172 0.01 . 1 . . . . 48 P HB3 . 15129 1 596 . 1 1 49 49 PRO HG2 H 1 0.347 0.01 . 1 . . . . 48 P HG2 . 15129 1 597 . 1 1 49 49 PRO HG3 H 1 0.484 0.01 . 1 . . . . 48 P HG3 . 15129 1 598 . 1 1 49 49 PRO HD2 H 1 1.764 0.01 . 1 . . . . 48 P HD2 . 15129 1 599 . 1 1 49 49 PRO HD3 H 1 1.914 0.01 . 1 . . . . 48 P HD3 . 15129 1 600 . 1 1 49 49 PRO C C 13 178.272 0.1 . 1 . . . . 48 P CO . 15129 1 601 . 1 1 49 49 PRO CA C 13 62.143 0.1 . 1 . . . . 48 P CA . 15129 1 602 . 1 1 49 49 PRO CB C 13 31.495 0.1 . 1 . . . . 48 P CB . 15129 1 603 . 1 1 49 49 PRO CG C 13 27.862 0.1 . 1 . . . . 48 P CG . 15129 1 604 . 1 1 49 49 PRO CD C 13 49.815 0.1 . 1 . . . . 48 P CD . 15129 1 605 . 1 1 50 50 ALA H H 1 7.868 0.01 . 1 . . . . 49 A HN . 15129 1 606 . 1 1 50 50 ALA HA H 1 3.793 0.01 . 1 . . . . 49 A HA . 15129 1 607 . 1 1 50 50 ALA HB1 H 1 1.133 0.01 . 1 . . . . 49 A HB . 15129 1 608 . 1 1 50 50 ALA HB2 H 1 1.133 0.01 . 1 . . . . 49 A HB . 15129 1 609 . 1 1 50 50 ALA HB3 H 1 1.133 0.01 . 1 . . . . 49 A HB . 15129 1 610 . 1 1 50 50 ALA C C 13 179.156 0.1 . 1 . . . . 49 A CO . 15129 1 611 . 1 1 50 50 ALA CA C 13 54.398 0.1 . 1 . . . . 49 A CA . 15129 1 612 . 1 1 50 50 ALA CB C 13 18.1 0.1 . 1 . . . . 49 A CB . 15129 1 613 . 1 1 50 50 ALA N N 15 125.204 0.1 . 1 . . . . 49 A N . 15129 1 614 . 1 1 51 51 ASN H H 1 8.492 0.01 . 1 . . . . 50 N HN . 15129 1 615 . 1 1 51 51 ASN HA H 1 4.72 0.01 . 1 . . . . 50 N HA . 15129 1 616 . 1 1 51 51 ASN HB2 H 1 2.753 0.01 . 1 . . . . 50 N HB2 . 15129 1 617 . 1 1 51 51 ASN HB3 H 1 3.022 0.01 . 1 . . . . 50 N HB3 . 15129 1 618 . 1 1 51 51 ASN HD21 H 1 6.648 0.01 . 1 . . . . 50 N HD21 . 15129 1 619 . 1 1 51 51 ASN HD22 H 1 7.512 0.01 . 1 . . . . 50 N HD22 . 15129 1 620 . 1 1 51 51 ASN C C 13 175.445 0.1 . 1 . . . . 50 N CO . 15129 1 621 . 1 1 51 51 ASN CA C 13 53.351 0.1 . 1 . . . . 50 N CA . 15129 1 622 . 1 1 51 51 ASN CB C 13 36.485 0.1 . 1 . . . . 50 N CB . 15129 1 623 . 1 1 51 51 ASN N N 15 111.022 0.1 . 1 . . . . 50 N N . 15129 1 624 . 1 1 51 51 ASN ND2 N 15 110.845 0.1 . 1 . . . . 50 N ND2 . 15129 1 625 . 1 1 52 52 TYR H H 1 7.638 0.01 . 1 . . . . 51 Y HN . 15129 1 626 . 1 1 52 52 TYR HA H 1 4.637 0.01 . 1 . . . . 51 Y HA . 15129 1 627 . 1 1 52 52 TYR HB2 H 1 3.168 0.01 . 1 . . . . 51 Y HB2 . 15129 1 628 . 1 1 52 52 TYR HB3 H 1 3.226 0.01 . 1 . . . . 51 Y HB3 . 15129 1 629 . 1 1 52 52 TYR HD1 H 1 6.735 0.01 . 1 . . . . 51 Y HD1 . 15129 1 630 . 1 1 52 52 TYR HD2 H 1 6.829 0.01 . 1 . . . . 51 Y HD2 . 15129 1 631 . 1 1 52 52 TYR HE1 H 1 6.139 0.01 . 1 . . . . 51 Y HE# . 15129 1 632 . 1 1 52 52 TYR HE2 H 1 6.139 0.01 . 1 . . . . 51 Y HE# . 15129 1 633 . 1 1 52 52 TYR C C 13 175.153 0.1 . 1 . . . . 51 Y CO . 15129 1 634 . 1 1 52 52 TYR CA C 13 58.168 0.1 . 1 . . . . 51 Y CA . 15129 1 635 . 1 1 52 52 TYR CB C 13 37.91 0.1 . 1 . . . . 51 Y CB . 15129 1 636 . 1 1 52 52 TYR CG C 13 123.455 0.1 . 1 . . . . 51 Y CG . 15129 1 637 . 1 1 52 52 TYR CD1 C 13 129.436 0.1 . 1 . . . . 51 Y CD1 . 15129 1 638 . 1 1 52 52 TYR CD2 C 13 129.436 0.1 . 1 . . . . 51 Y CD2 . 15129 1 639 . 1 1 52 52 TYR N N 15 118.363 0.1 . 1 . . . . 51 Y N . 15129 1 640 . 1 1 53 53 VAL H H 1 7.242 0.01 . 1 . . . . 52 V HN . 15129 1 641 . 1 1 53 53 VAL HA H 1 5.288 0.01 . 1 . . . . 52 V HA . 15129 1 642 . 1 1 53 53 VAL HB H 1 1.757 0.01 . 1 . . . . 52 V HB . 15129 1 643 . 1 1 53 53 VAL HG11 H 1 0.715 0.01 . 1 . . . . 52 V HG1 . 15129 1 644 . 1 1 53 53 VAL HG12 H 1 0.715 0.01 . 1 . . . . 52 V HG1 . 15129 1 645 . 1 1 53 53 VAL HG13 H 1 0.715 0.01 . 1 . . . . 52 V HG1 . 15129 1 646 . 1 1 53 53 VAL HG21 H 1 0.748 0.01 . 1 . . . . 52 V HG2 . 15129 1 647 . 1 1 53 53 VAL HG22 H 1 0.748 0.01 . 1 . . . . 52 V HG2 . 15129 1 648 . 1 1 53 53 VAL HG23 H 1 0.748 0.01 . 1 . . . . 52 V HG2 . 15129 1 649 . 1 1 53 53 VAL C C 13 173.887 0.1 . 1 . . . . 52 V CO . 15129 1 650 . 1 1 53 53 VAL CA C 13 58.529 0.1 . 1 . . . . 52 V CA . 15129 1 651 . 1 1 53 53 VAL CB C 13 34.259 0.1 . 1 . . . . 52 V CB . 15129 1 652 . 1 1 53 53 VAL CG1 C 13 22.269 0.1 . 1 . . . . 52 V CG1 . 15129 1 653 . 1 1 53 53 VAL CG2 C 13 18.426 0.1 . 1 . . . . 52 V CG2 . 15129 1 654 . 1 1 53 53 VAL N N 15 109.574 0.1 . 1 . . . . 52 V N . 15129 1 655 . 1 1 54 54 GLU H H 1 8.719 0.01 . 1 . . . . 53 E HN . 15129 1 656 . 1 1 54 54 GLU HA H 1 4.627 0.01 . 1 . . . . 53 E HA . 15129 1 657 . 1 1 54 54 GLU HB2 H 1 1.861 0.01 . 1 . . . . 53 E HB2 . 15129 1 658 . 1 1 54 54 GLU HB3 H 1 1.692 0.01 . 1 . . . . 53 E HB3 . 15129 1 659 . 1 1 54 54 GLU HG2 H 1 2.023 0.01 . 1 . . . . 53 E HG2 . 15129 1 660 . 1 1 54 54 GLU HG3 H 1 2.087 0.01 . 1 . . . . 53 E HG3 . 15129 1 661 . 1 1 54 54 GLU C C 13 175.454 0.1 . 1 . . . . 53 E CO . 15129 1 662 . 1 1 54 54 GLU CA C 13 53.791 0.1 . 1 . . . . 53 E CA . 15129 1 663 . 1 1 54 54 GLU CB C 13 32.104 0.1 . 1 . . . . 53 E CB . 15129 1 664 . 1 1 54 54 GLU CG C 13 35.53 0.1 . 1 . . . . 53 E CG . 15129 1 665 . 1 1 54 54 GLU N N 15 121.23 0.1 . 1 . . . . 53 E N . 15129 1 666 . 1 1 55 55 VAL H H 1 8.775 0.01 . 1 . . . . 54 V HN . 15129 1 667 . 1 1 55 55 VAL HA H 1 3.853 0.01 . 1 . . . . 54 V HA . 15129 1 668 . 1 1 55 55 VAL HB H 1 1.928 0.01 . 1 . . . . 54 V HB . 15129 1 669 . 1 1 55 55 VAL HG11 H 1 0.876 0.01 . 1 . . . . 54 V HG1 . 15129 1 670 . 1 1 55 55 VAL HG12 H 1 0.876 0.01 . 1 . . . . 54 V HG1 . 15129 1 671 . 1 1 55 55 VAL HG13 H 1 0.876 0.01 . 1 . . . . 54 V HG1 . 15129 1 672 . 1 1 55 55 VAL HG21 H 1 0.96 0.01 . 1 . . . . 54 V HG2 . 15129 1 673 . 1 1 55 55 VAL HG22 H 1 0.96 0.01 . 1 . . . . 54 V HG2 . 15129 1 674 . 1 1 55 55 VAL HG23 H 1 0.96 0.01 . 1 . . . . 54 V HG2 . 15129 1 675 . 1 1 55 55 VAL C C 13 176.081 0.1 . 1 . . . . 54 V CO . 15129 1 676 . 1 1 55 55 VAL CA C 13 63.817 0.1 . 1 . . . . 54 V CA . 15129 1 677 . 1 1 55 55 VAL CB C 13 31.491 0.1 . 1 . . . . 54 V CB . 15129 1 678 . 1 1 55 55 VAL CG1 C 13 21.662 0.1 . 1 . . . . 54 V CG1 . 15129 1 679 . 1 1 55 55 VAL CG2 C 13 21.71 0.1 . 1 . . . . 54 V CG2 . 15129 1 680 . 1 1 55 55 VAL N N 15 126.705 0.1 . 1 . . . . 54 V N . 15129 1 681 . 1 1 56 56 LEU H H 1 8.414 0.01 . 1 . . . . 55 L HN . 15129 1 682 . 1 1 56 56 LEU HA H 1 4.546 0.01 . 1 . . . . 55 L HA . 15129 1 683 . 1 1 56 56 LEU HB2 H 1 1.45 0.01 . 1 . . . . 55 L HB2 . 15129 1 684 . 1 1 56 56 LEU HB3 H 1 1.45 0.01 . 1 . . . . 55 L HB3 . 15129 1 685 . 1 1 56 56 LEU HG H 1 1.525 0.01 . 1 . . . . 55 L HG . 15129 1 686 . 1 1 56 56 LEU HD11 H 1 0.718 0.01 . 1 . . . . 55 L HD1 . 15129 1 687 . 1 1 56 56 LEU HD12 H 1 0.718 0.01 . 1 . . . . 55 L HD1 . 15129 1 688 . 1 1 56 56 LEU HD13 H 1 0.718 0.01 . 1 . . . . 55 L HD1 . 15129 1 689 . 1 1 56 56 LEU HD21 H 1 0.649 0.01 . 1 . . . . 55 L HD2 . 15129 1 690 . 1 1 56 56 LEU HD22 H 1 0.649 0.01 . 1 . . . . 55 L HD2 . 15129 1 691 . 1 1 56 56 LEU HD23 H 1 0.649 0.01 . 1 . . . . 55 L HD2 . 15129 1 692 . 1 1 56 56 LEU C C 13 175.159 0.1 . 1 . . . . 55 L CO . 15129 1 693 . 1 1 56 56 LEU CA C 13 53.046 0.1 . 1 . . . . 55 L CA . 15129 1 694 . 1 1 56 56 LEU CB C 13 41.032 0.1 . 1 . . . . 55 L CB . 15129 1 695 . 1 1 56 56 LEU CG C 13 27.626 0.1 . 1 . . . . 55 L CG . 15129 1 696 . 1 1 56 56 LEU CD1 C 13 22.64 0.1 . 1 . . . . 55 L CD1 . 15129 1 697 . 1 1 56 56 LEU CD2 C 13 25.306 0.1 . 1 . . . . 55 L CD2 . 15129 1 698 . 1 1 56 56 LEU N N 15 129.26 0.1 . 1 . . . . 55 L N . 15129 1 699 . 1 1 57 57 PRO HA H 1 4.417 0.01 . 1 . . . . 56 P HA . 15129 1 700 . 1 1 57 57 PRO HB2 H 1 2.225 0.01 . 1 . . . . 56 P HB2 . 15129 1 701 . 1 1 57 57 PRO HB3 H 1 1.875 0.01 . 1 . . . . 56 P HB3 . 15129 1 702 . 1 1 57 57 PRO HG2 H 1 1.956 0.01 . 1 . . . . 56 P HG2 . 15129 1 703 . 1 1 57 57 PRO HG3 H 1 1.956 0.01 . 1 . . . . 56 P HG3 . 15129 1 704 . 1 1 57 57 PRO HD2 H 1 3.565 0.01 . 1 . . . . 56 P HD2 . 15129 1 705 . 1 1 57 57 PRO HD3 H 1 3.785 0.01 . 1 . . . . 56 P HD3 . 15129 1 706 . 1 1 57 57 PRO C C 13 176.561 0.1 . 1 . . . . 56 P CO . 15129 1 707 . 1 1 57 57 PRO CA C 13 62.954 0.1 . 1 . . . . 56 P CA . 15129 1 708 . 1 1 57 57 PRO CB C 13 31.803 0.1 . 1 . . . . 56 P CB . 15129 1 709 . 1 1 57 57 PRO CG C 13 27.288 0.1 . 1 . . . . 56 P CG . 15129 1 710 . 1 1 57 57 PRO CD C 13 50.549 0.1 . 1 . . . . 56 P CD . 15129 1 stop_ save_