data_15407 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15407 _Entry.Title ; Third SH3 domain of CD2AP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-28 _Entry.Accession_date 2007-07-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Nico 'van Nuland' . A.J. . 15407 2 Jose-Luis 'Ortega Roldan' . . . 15407 3 Maria-Luisa 'Romero Romero' . . . 15407 4 Eiso AB . . . 15407 5 Ari Ora . . . 15407 6 Obdulio 'Lopez Mayorga' . . . 15407 7 Ana Azuaga . I. . 15407 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15407 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 15407 'SH3 domain' . 15407 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15407 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 275 15407 '15N chemical shifts' 68 15407 '1H chemical shifts' 433 15407 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-03 2007-07-30 update BMRB 'complete entry citation' 15407 1 . . 2007-10-16 2007-07-30 original author 'original release' 15407 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JTE 'BMRB Entry Tracking System' 15407 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15407 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17922258 _Citation.Full_citation . _Citation.Title 'The high resolution NMR structure of the third SH3 domain of CD2AP' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 39 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 331 _Citation.Page_last 336 _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 Jose-Luis 'Ortega Roldan' . . . 15407 1 2 Maria-Luisa 'Romero Romero' . . . 15407 1 3 Ari Ora . . . 15407 1 4 Eiso AB . . . 15407 1 5 Obdulio 'Lopez Mayorga' . . . 15407 1 6 Ana Azuaga . I. . 15407 1 7 Nico 'van Nuland' . A.J. . 15407 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'SH3 domain' 15407 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15407 _Assembly.ID 1 _Assembly.Name 'CD2AP SH3-C monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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-C 1 $SH3-C A . yes native no no . . . 15407 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH3-C _Entity.Sf_category entity _Entity.Sf_framecode SH3-C _Entity.Entry_ID 15407 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SH3-C _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 ; GAMGAKEYCRTLFPYTGTNE DELTFREGEIIHLISKETGE AGWWKGELNGKEGVFPDNFA VQIS ; _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 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7148.993 _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 16643 . SH3-C . . . . . 100.00 64 100.00 100.00 2.30e-38 . . . . 15407 1 2 no PDB 2JTE . "Third Sh3 Domain Of Cd2ap" . . . . . 100.00 64 100.00 100.00 2.30e-38 . . . . 15407 1 3 no PDB 2KRO . "Rdc Refined High Resolution Structure Of The Third Sh3 Domain Of Cd2ap" . . . . . 100.00 64 100.00 100.00 2.30e-38 . . . . 15407 1 4 no PDB 2LZ6 . "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" . . . . . 93.75 60 100.00 100.00 2.36e-35 . . . . 15407 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 . GLY . 15407 1 2 . ALA . 15407 1 3 . MET . 15407 1 4 . GLY . 15407 1 5 . ALA . 15407 1 6 . LYS . 15407 1 7 . GLU . 15407 1 8 . TYR . 15407 1 9 . CYS . 15407 1 10 . ARG . 15407 1 11 . THR . 15407 1 12 . LEU . 15407 1 13 . PHE . 15407 1 14 . PRO . 15407 1 15 . TYR . 15407 1 16 . THR . 15407 1 17 . GLY . 15407 1 18 . THR . 15407 1 19 . ASN . 15407 1 20 . GLU . 15407 1 21 . ASP . 15407 1 22 . GLU . 15407 1 23 . LEU . 15407 1 24 . THR . 15407 1 25 . PHE . 15407 1 26 . ARG . 15407 1 27 . GLU . 15407 1 28 . GLY . 15407 1 29 . GLU . 15407 1 30 . ILE . 15407 1 31 . ILE . 15407 1 32 . HIS . 15407 1 33 . LEU . 15407 1 34 . ILE . 15407 1 35 . SER . 15407 1 36 . LYS . 15407 1 37 . GLU . 15407 1 38 . THR . 15407 1 39 . GLY . 15407 1 40 . GLU . 15407 1 41 . ALA . 15407 1 42 . GLY . 15407 1 43 . TRP . 15407 1 44 . TRP . 15407 1 45 . LYS . 15407 1 46 . GLY . 15407 1 47 . GLU . 15407 1 48 . LEU . 15407 1 49 . ASN . 15407 1 50 . GLY . 15407 1 51 . LYS . 15407 1 52 . GLU . 15407 1 53 . GLY . 15407 1 54 . VAL . 15407 1 55 . PHE . 15407 1 56 . PRO . 15407 1 57 . ASP . 15407 1 58 . ASN . 15407 1 59 . PHE . 15407 1 60 . ALA . 15407 1 61 . VAL . 15407 1 62 . GLN . 15407 1 63 . ILE . 15407 1 64 . SER . 15407 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 15407 1 . ALA 2 2 15407 1 . MET 3 3 15407 1 . GLY 4 4 15407 1 . ALA 5 5 15407 1 . LYS 6 6 15407 1 . GLU 7 7 15407 1 . TYR 8 8 15407 1 . CYS 9 9 15407 1 . ARG 10 10 15407 1 . THR 11 11 15407 1 . LEU 12 12 15407 1 . PHE 13 13 15407 1 . PRO 14 14 15407 1 . TYR 15 15 15407 1 . THR 16 16 15407 1 . GLY 17 17 15407 1 . THR 18 18 15407 1 . ASN 19 19 15407 1 . GLU 20 20 15407 1 . ASP 21 21 15407 1 . GLU 22 22 15407 1 . LEU 23 23 15407 1 . THR 24 24 15407 1 . PHE 25 25 15407 1 . ARG 26 26 15407 1 . GLU 27 27 15407 1 . GLY 28 28 15407 1 . GLU 29 29 15407 1 . ILE 30 30 15407 1 . ILE 31 31 15407 1 . HIS 32 32 15407 1 . LEU 33 33 15407 1 . ILE 34 34 15407 1 . SER 35 35 15407 1 . LYS 36 36 15407 1 . GLU 37 37 15407 1 . THR 38 38 15407 1 . GLY 39 39 15407 1 . GLU 40 40 15407 1 . ALA 41 41 15407 1 . GLY 42 42 15407 1 . TRP 43 43 15407 1 . TRP 44 44 15407 1 . LYS 45 45 15407 1 . GLY 46 46 15407 1 . GLU 47 47 15407 1 . LEU 48 48 15407 1 . ASN 49 49 15407 1 . GLY 50 50 15407 1 . LYS 51 51 15407 1 . GLU 52 52 15407 1 . GLY 53 53 15407 1 . VAL 54 54 15407 1 . PHE 55 55 15407 1 . PRO 56 56 15407 1 . ASP 57 57 15407 1 . ASN 58 58 15407 1 . PHE 59 59 15407 1 . ALA 60 60 15407 1 . VAL 61 61 15407 1 . GLN 62 62 15407 1 . ILE 63 63 15407 1 . SER 64 64 15407 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 15407 _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 $SH3-C . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15407 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 15407 _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 $SH3-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM-11 . . . . . . 15407 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15407 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SH3-C '[U-98% 13C; U-98% 15N]' . . 1 $SH3-C . . 1 . . mM . . . . 15407 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15407 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SH3-C '[U-98% 15N]' . . 1 $SH3-C . . 1 . . mM . . . . 15407 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15407 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SH3-C 'natural abundance' . . 1 $SH3-C . . 1 . . mM . . . . 15407 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15407 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 SH3-C 'natural abundance' . . 1 $SH3-C . . 1 . . mM . . . . 15407 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15407 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 15407 1 pH 2.0 . pH 15407 1 pressure 1 . atm 15407 1 temperature 298 . K 15407 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15407 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15407 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15407 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15407 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15407 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15407 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15407 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15407 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15407 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Uniform NMR System' . 600 . . . 15407 1 2 spectrometer_2 Varian INOVA . 800 . . . 15407 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 15407 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15407 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 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 15407 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15407 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15407 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15407 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 15407 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15407 1 3 '3D HNCACB' . . . 15407 1 6 '3D HCCH-TOCSY' . . . 15407 1 7 '3D 1H-15N NOESY' . . . 15407 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 1 1 GLY HA2 H 1 3.849 0.015 . 2 . . . . 1 GLY HA1 . 15407 1 2 . 1 1 1 1 GLY HA3 H 1 3.849 0.015 . 2 . . . . 1 GLY HA2 . 15407 1 3 . 1 1 1 1 GLY C C 13 169.870 0.05 . 1 . . . . 1 GLY C . 15407 1 4 . 1 1 1 1 GLY CA C 13 43.291 0.05 . 1 . . . . 1 GLY CA . 15407 1 5 . 1 1 2 2 ALA H H 1 8.628 0.015 . 1 . . . . 2 ALA HN . 15407 1 6 . 1 1 2 2 ALA HA H 1 4.362 0.015 . 1 . . . . 2 ALA HA . 15407 1 7 . 1 1 2 2 ALA HB1 H 1 1.386 0.015 . 1 . . . . 2 ALA HB1 . 15407 1 8 . 1 1 2 2 ALA HB2 H 1 1.386 0.015 . 1 . . . . 2 ALA HB1 . 15407 1 9 . 1 1 2 2 ALA HB3 H 1 1.386 0.015 . 1 . . . . 2 ALA HB1 . 15407 1 10 . 1 1 2 2 ALA C C 13 177.910 0.05 . 1 . . . . 2 ALA C . 15407 1 11 . 1 1 2 2 ALA CA C 13 52.582 0.05 . 1 . . . . 2 ALA CA . 15407 1 12 . 1 1 2 2 ALA CB C 13 19.405 0.05 . 1 . . . . 2 ALA CB . 15407 1 13 . 1 1 2 2 ALA N N 15 123.924 0.05 . 1 . . . . 2 ALA N . 15407 1 14 . 1 1 3 3 MET H H 1 8.552 0.015 . 1 . . . . 3 MET HN . 15407 1 15 . 1 1 3 3 MET HA H 1 4.465 0.015 . 1 . . . . 3 MET HA . 15407 1 16 . 1 1 3 3 MET HB2 H 1 2.034 0.015 . 2 . . . . 3 MET HB1 . 15407 1 17 . 1 1 3 3 MET HB3 H 1 2.034 0.015 . 2 . . . . 3 MET HB2 . 15407 1 18 . 1 1 3 3 MET HG2 H 1 2.563 0.015 . 2 . . . . 3 MET HG1 . 15407 1 19 . 1 1 3 3 MET HG3 H 1 2.563 0.015 . 2 . . . . 3 MET HG2 . 15407 1 20 . 1 1 3 3 MET C C 13 176.836 0.05 . 1 . . . . 3 MET C . 15407 1 21 . 1 1 3 3 MET CA C 13 55.707 0.05 . 1 . . . . 3 MET CA . 15407 1 22 . 1 1 3 3 MET CB C 13 32.762 0.05 . 1 . . . . 3 MET CB . 15407 1 23 . 1 1 3 3 MET CG C 13 32.016 0.05 . 1 . . . . 3 MET CG . 15407 1 24 . 1 1 3 3 MET N N 15 120.310 0.05 . 1 . . . . 3 MET N . 15407 1 25 . 1 1 4 4 GLY H H 1 8.402 0.015 . 1 . . . . 4 GLY HN . 15407 1 26 . 1 1 4 4 GLY HA2 H 1 3.938 0.015 . 2 . . . . 4 GLY HA1 . 15407 1 27 . 1 1 4 4 GLY HA3 H 1 3.938 0.015 . 2 . . . . 4 GLY HA2 . 15407 1 28 . 1 1 4 4 GLY C C 13 173.800 0.05 . 1 . . . . 4 GLY C . 15407 1 29 . 1 1 4 4 GLY CA C 13 45.291 0.05 . 1 . . . . 4 GLY CA . 15407 1 30 . 1 1 4 4 GLY N N 15 110.627 0.05 . 1 . . . . 4 GLY N . 15407 1 31 . 1 1 5 5 ALA H H 1 8.175 0.015 . 1 . . . . 5 ALA HN . 15407 1 32 . 1 1 5 5 ALA HA H 1 4.339 0.015 . 1 . . . . 5 ALA HA . 15407 1 33 . 1 1 5 5 ALA HB1 H 1 1.389 0.015 . 1 . . . . 5 ALA HB1 . 15407 1 34 . 1 1 5 5 ALA HB2 H 1 1.389 0.015 . 1 . . . . 5 ALA HB1 . 15407 1 35 . 1 1 5 5 ALA HB3 H 1 1.389 0.015 . 1 . . . . 5 ALA HB1 . 15407 1 36 . 1 1 5 5 ALA C C 13 174.182 0.05 . 1 . . . . 5 ALA C . 15407 1 37 . 1 1 5 5 ALA CA C 13 52.554 0.05 . 1 . . . . 5 ALA CA . 15407 1 38 . 1 1 5 5 ALA CB C 13 19.466 0.05 . 1 . . . . 5 ALA CB . 15407 1 39 . 1 1 5 5 ALA N N 15 123.635 0.05 . 1 . . . . 5 ALA N . 15407 1 40 . 1 1 6 6 LYS H H 1 8.408 0.015 . 1 . . . . 6 LYS HN . 15407 1 41 . 1 1 6 6 LYS HA H 1 4.275 0.015 . 1 . . . . 6 LYS HA . 15407 1 42 . 1 1 6 6 LYS HB2 H 1 1.720 0.015 . 2 . . . . 6 LYS HB1 . 15407 1 43 . 1 1 6 6 LYS HB3 H 1 1.573 0.015 . 2 . . . . 6 LYS HB2 . 15407 1 44 . 1 1 6 6 LYS HD2 H 1 1.598 0.015 . 2 . . . . 6 LYS HD1 . 15407 1 45 . 1 1 6 6 LYS HD3 H 1 1.598 0.015 . 2 . . . . 6 LYS HD2 . 15407 1 46 . 1 1 6 6 LYS HE2 H 1 2.958 0.015 . 2 . . . . 6 LYS HE1 . 15407 1 47 . 1 1 6 6 LYS HE3 H 1 2.958 0.015 . 2 . . . . 6 LYS HE2 . 15407 1 48 . 1 1 6 6 LYS HG2 H 1 1.304 0.015 . 2 . . . . 6 LYS HG1 . 15407 1 49 . 1 1 6 6 LYS HG3 H 1 1.304 0.015 . 2 . . . . 6 LYS HG2 . 15407 1 50 . 1 1 6 6 LYS C C 13 175.549 0.05 . 1 . . . . 6 LYS C . 15407 1 51 . 1 1 6 6 LYS CA C 13 56.125 0.05 . 1 . . . . 6 LYS CA . 15407 1 52 . 1 1 6 6 LYS CB C 13 33.079 0.05 . 1 . . . . 6 LYS CB . 15407 1 53 . 1 1 6 6 LYS CD C 13 29.300 0.05 . 1 . . . . 6 LYS CD . 15407 1 54 . 1 1 6 6 LYS CE C 13 42.139 0.05 . 1 . . . . 6 LYS CE . 15407 1 55 . 1 1 6 6 LYS CG C 13 25.227 0.05 . 1 . . . . 6 LYS CG . 15407 1 56 . 1 1 6 6 LYS N N 15 120.889 0.05 . 1 . . . . 6 LYS N . 15407 1 57 . 1 1 7 7 GLU H H 1 8.440 0.015 . 1 . . . . 7 GLU HN . 15407 1 58 . 1 1 7 7 GLU HA H 1 4.604 0.015 . 1 . . . . 7 GLU HA . 15407 1 59 . 1 1 7 7 GLU HB2 H 1 1.952 0.015 . 2 . . . . 7 GLU HB1 . 15407 1 60 . 1 1 7 7 GLU HB3 H 1 1.952 0.015 . 2 . . . . 7 GLU HB2 . 15407 1 61 . 1 1 7 7 GLU HG2 H 1 2.407 0.015 . 2 . . . . 7 GLU HG1 . 15407 1 62 . 1 1 7 7 GLU HG3 H 1 2.309 0.015 . 2 . . . . 7 GLU HG2 . 15407 1 63 . 1 1 7 7 GLU C C 13 174.834 0.05 . 1 . . . . 7 GLU C . 15407 1 64 . 1 1 7 7 GLU CA C 13 54.862 0.05 . 1 . . . . 7 GLU CA . 15407 1 65 . 1 1 7 7 GLU CB C 13 30.213 0.05 . 1 . . . . 7 GLU CB . 15407 1 66 . 1 1 7 7 GLU CG C 13 33.012 0.05 . 1 . . . . 7 GLU CG . 15407 1 67 . 1 1 7 7 GLU N N 15 120.166 0.05 . 1 . . . . 7 GLU N . 15407 1 68 . 1 1 8 8 TYR H H 1 8.766 0.015 . 1 . . . . 8 TYR HN . 15407 1 69 . 1 1 8 8 TYR HA H 1 5.534 0.015 . 1 . . . . 8 TYR HA . 15407 1 70 . 1 1 8 8 TYR HB2 H 1 2.914 0.015 . 2 . . . . 8 TYR HB1 . 15407 1 71 . 1 1 8 8 TYR HB3 H 1 2.667 0.015 . 2 . . . . 8 TYR HB2 . 15407 1 72 . 1 1 8 8 TYR HD1 H 1 6.942 0.015 . 1 . . . . 8 TYR HD1 . 15407 1 73 . 1 1 8 8 TYR HD2 H 1 6.942 0.015 . 1 . . . . 8 TYR HD2 . 15407 1 74 . 1 1 8 8 TYR HE1 H 1 6.563 0.015 . 1 . . . . 8 TYR HE1 . 15407 1 75 . 1 1 8 8 TYR HE2 H 1 6.563 0.015 . 1 . . . . 8 TYR HE2 . 15407 1 76 . 1 1 8 8 TYR C C 13 175.138 0.05 . 1 . . . . 8 TYR C . 15407 1 77 . 1 1 8 8 TYR CA C 13 56.797 0.05 . 1 . . . . 8 TYR CA . 15407 1 78 . 1 1 8 8 TYR CB C 13 42.677 0.05 . 1 . . . . 8 TYR CB . 15407 1 79 . 1 1 8 8 TYR CD1 C 13 133.303 0.05 . 3 . . . . 8 TYR CD1 . 15407 1 80 . 1 1 8 8 TYR CD2 C 13 133.303 0.05 . 3 . . . . 8 TYR CD2 . 15407 1 81 . 1 1 8 8 TYR CE1 C 13 117.571 0.05 . 3 . . . . 8 TYR CE1 . 15407 1 82 . 1 1 8 8 TYR CE2 C 13 117.571 0.05 . 3 . . . . 8 TYR CE2 . 15407 1 83 . 1 1 8 8 TYR N N 15 120.310 0.05 . 1 . . . . 8 TYR N . 15407 1 84 . 1 1 9 9 CYS H H 1 9.291 0.015 . 1 . . . . 9 CYS HN . 15407 1 85 . 1 1 9 9 CYS HA H 1 5.537 0.015 . 1 . . . . 9 CYS HA . 15407 1 86 . 1 1 9 9 CYS HB2 H 1 2.777 0.015 . 2 . . . . 9 CYS HB1 . 15407 1 87 . 1 1 9 9 CYS HB3 H 1 2.667 0.015 . 2 . . . . 9 CYS HB2 . 15407 1 88 . 1 1 9 9 CYS C C 13 171.187 0.05 . 1 . . . . 9 CYS C . 15407 1 89 . 1 1 9 9 CYS CA C 13 55.759 0.05 . 1 . . . . 9 CYS CA . 15407 1 90 . 1 1 9 9 CYS CB C 13 32.451 0.05 . 1 . . . . 9 CYS CB . 15407 1 91 . 1 1 9 9 CYS N N 15 114.818 0.05 . 1 . . . . 9 CYS N . 15407 1 92 . 1 1 10 10 ARG H H 1 9.127 0.015 . 1 . . . . 10 ARG HN . 15407 1 93 . 1 1 10 10 ARG HA H 1 5.412 0.015 . 1 . . . . 10 ARG HA . 15407 1 94 . 1 1 10 10 ARG HB2 H 1 1.648 0.015 . 2 . . . . 10 ARG HB1 . 15407 1 95 . 1 1 10 10 ARG HB3 H 1 1.482 0.015 . 2 . . . . 10 ARG HB2 . 15407 1 96 . 1 1 10 10 ARG HD2 H 1 3.105 0.015 . 2 . . . . 10 ARG HD1 . 15407 1 97 . 1 1 10 10 ARG HD3 H 1 3.105 0.015 . 2 . . . . 10 ARG HD2 . 15407 1 98 . 1 1 10 10 ARG HG2 H 1 1.289 0.015 . 2 . . . . 10 ARG HG1 . 15407 1 99 . 1 1 10 10 ARG HG3 H 1 1.289 0.015 . 2 . . . . 10 ARG HG2 . 15407 1 100 . 1 1 10 10 ARG C C 13 176.421 0.05 . 1 . . . . 10 ARG C . 15407 1 101 . 1 1 10 10 ARG CA C 13 53.632 0.05 . 1 . . . . 10 ARG CA . 15407 1 102 . 1 1 10 10 ARG CB C 13 33.112 0.05 . 1 . . . . 10 ARG CB . 15407 1 103 . 1 1 10 10 ARG CD C 13 43.018 0.05 . 1 . . . . 10 ARG CD . 15407 1 104 . 1 1 10 10 ARG CG C 13 27.696 0.05 . 1 . . . . 10 ARG CG . 15407 1 105 . 1 1 10 10 ARG N N 15 122.912 0.05 . 1 . . . . 10 ARG N . 15407 1 106 . 1 1 11 11 THR H H 1 9.085 0.015 . 1 . . . . 11 THR HN . 15407 1 107 . 1 1 11 11 THR HA H 1 4.413 0.015 . 1 . . . . 11 THR HA . 15407 1 108 . 1 1 11 11 THR HB H 1 4.413 0.015 . 1 . . . . 11 THR HB . 15407 1 109 . 1 1 11 11 THR HG21 H 1 0.010 0.015 . 1 . . . . 11 THR HG21 . 15407 1 110 . 1 1 11 11 THR HG22 H 1 0.010 0.015 . 1 . . . . 11 THR HG21 . 15407 1 111 . 1 1 11 11 THR HG23 H 1 0.010 0.015 . 1 . . . . 11 THR HG21 . 15407 1 112 . 1 1 11 11 THR C C 13 176.330 0.05 . 1 . . . . 11 THR C . 15407 1 113 . 1 1 11 11 THR CA C 13 61.260 0.05 . 1 . . . . 11 THR CA . 15407 1 114 . 1 1 11 11 THR CB C 13 69.675 0.05 . 1 . . . . 11 THR CB . 15407 1 115 . 1 1 11 11 THR CG2 C 13 22.848 0.05 . 1 . . . . 11 THR CG2 . 15407 1 116 . 1 1 11 11 THR N N 15 117.420 0.05 . 1 . . . . 11 THR N . 15407 1 117 . 1 1 12 12 LEU H H 1 9.203 0.015 . 1 . . . . 12 LEU HN . 15407 1 118 . 1 1 12 12 LEU HA H 1 4.111 0.015 . 1 . . . . 12 LEU HA . 15407 1 119 . 1 1 12 12 LEU HB2 H 1 0.971 0.015 . 2 . . . . 12 LEU HB1 . 15407 1 120 . 1 1 12 12 LEU HB3 H 1 0.730 0.015 . 2 . . . . 12 LEU HB2 . 15407 1 121 . 1 1 12 12 LEU HD11 H 1 0.669 0.015 . 2 . . . . 12 LEU HD11 . 15407 1 122 . 1 1 12 12 LEU HD12 H 1 0.669 0.015 . 2 . . . . 12 LEU HD11 . 15407 1 123 . 1 1 12 12 LEU HD13 H 1 0.669 0.015 . 2 . . . . 12 LEU HD11 . 15407 1 124 . 1 1 12 12 LEU HD21 H 1 0.669 0.015 . 2 . . . . 12 LEU HD21 . 15407 1 125 . 1 1 12 12 LEU HD22 H 1 0.669 0.015 . 2 . . . . 12 LEU HD21 . 15407 1 126 . 1 1 12 12 LEU HD23 H 1 0.669 0.015 . 2 . . . . 12 LEU HD21 . 15407 1 127 . 1 1 12 12 LEU HG H 1 1.276 0.015 . 1 . . . . 12 LEU HG . 15407 1 128 . 1 1 12 12 LEU C C 13 175.271 0.05 . 1 . . . . 12 LEU C . 15407 1 129 . 1 1 12 12 LEU CA C 13 55.469 0.05 . 1 . . . . 12 LEU CA . 15407 1 130 . 1 1 12 12 LEU CB C 13 44.816 0.05 . 1 . . . . 12 LEU CB . 15407 1 131 . 1 1 12 12 LEU CD1 C 13 25.402 0.05 . 1 . . . . 12 LEU CD1 . 15407 1 132 . 1 1 12 12 LEU CD2 C 13 22.218 0.05 . 1 . . . . 12 LEU CD2 . 15407 1 133 . 1 1 12 12 LEU CG C 13 26.912 0.05 . 1 . . . . 12 LEU CG . 15407 1 134 . 1 1 12 12 LEU N N 15 125.514 0.05 . 1 . . . . 12 LEU N . 15407 1 135 . 1 1 13 13 PHE H H 1 7.476 0.015 . 1 . . . . 13 PHE HN . 15407 1 136 . 1 1 13 13 PHE HA H 1 5.019 0.015 . 1 . . . . 13 PHE HA . 15407 1 137 . 1 1 13 13 PHE HB2 H 1 3.326 0.015 . 2 . . . . 13 PHE HB1 . 15407 1 138 . 1 1 13 13 PHE HB3 H 1 2.455 0.015 . 2 . . . . 13 PHE HB2 . 15407 1 139 . 1 1 13 13 PHE HD1 H 1 6.909 0.015 . 1 . . . . 13 PHE HD1 . 15407 1 140 . 1 1 13 13 PHE HD2 H 1 6.909 0.015 . 1 . . . . 13 PHE HD2 . 15407 1 141 . 1 1 13 13 PHE HE1 H 1 7.225 0.015 . 1 . . . . 13 PHE HE1 . 15407 1 142 . 1 1 13 13 PHE HE2 H 1 7.225 0.015 . 1 . . . . 13 PHE HE2 . 15407 1 143 . 1 1 13 13 PHE CA C 13 53.627 0.05 . 1 . . . . 13 PHE CA . 15407 1 144 . 1 1 13 13 PHE CB C 13 42.101 0.05 . 1 . . . . 13 PHE CB . 15407 1 145 . 1 1 13 13 PHE CD1 C 13 132.682 0.05 . 3 . . . . 13 PHE CD1 . 15407 1 146 . 1 1 13 13 PHE CD2 C 13 132.682 0.05 . 3 . . . . 13 PHE CD2 . 15407 1 147 . 1 1 13 13 PHE CE1 C 13 131.041 0.05 . 3 . . . . 13 PHE CE1 . 15407 1 148 . 1 1 13 13 PHE CE2 C 13 131.041 0.05 . 3 . . . . 13 PHE CE2 . 15407 1 149 . 1 1 13 13 PHE N N 15 114.674 0.05 . 1 . . . . 13 PHE N . 15407 1 150 . 1 1 14 14 PRO HA H 1 4.686 0.015 . 1 . . . . 14 PRO HA . 15407 1 151 . 1 1 14 14 PRO HB2 H 1 2.390 0.015 . 2 . . . . 14 PRO HB1 . 15407 1 152 . 1 1 14 14 PRO HB3 H 1 2.087 0.015 . 2 . . . . 14 PRO HB2 . 15407 1 153 . 1 1 14 14 PRO HD2 H 1 3.837 0.015 . 2 . . . . 14 PRO HD1 . 15407 1 154 . 1 1 14 14 PRO HD3 H 1 3.837 0.015 . 2 . . . . 14 PRO HD2 . 15407 1 155 . 1 1 14 14 PRO HG2 H 1 2.188 0.015 . 2 . . . . 14 PRO HG1 . 15407 1 156 . 1 1 14 14 PRO HG3 H 1 2.188 0.015 . 2 . . . . 14 PRO HG2 . 15407 1 157 . 1 1 14 14 PRO C C 13 175.198 0.05 . 1 . . . . 14 PRO C . 15407 1 158 . 1 1 14 14 PRO CA C 13 62.455 0.05 . 1 . . . . 14 PRO CA . 15407 1 159 . 1 1 14 14 PRO CB C 13 32.507 0.05 . 1 . . . . 14 PRO CB . 15407 1 160 . 1 1 14 14 PRO CD C 13 49.756 0.05 . 1 . . . . 14 PRO CD . 15407 1 161 . 1 1 14 14 PRO CG C 13 27.341 0.05 . 1 . . . . 14 PRO CG . 15407 1 162 . 1 1 15 15 TYR H H 1 8.055 0.015 . 1 . . . . 15 TYR HN . 15407 1 163 . 1 1 15 15 TYR HA H 1 4.387 0.015 . 1 . . . . 15 TYR HA . 15407 1 164 . 1 1 15 15 TYR HB2 H 1 2.387 0.015 . 2 . . . . 15 TYR HB1 . 15407 1 165 . 1 1 15 15 TYR HB3 H 1 1.086 0.015 . 2 . . . . 15 TYR HB2 . 15407 1 166 . 1 1 15 15 TYR HD1 H 1 6.607 0.015 . 1 . . . . 15 TYR HD1 . 15407 1 167 . 1 1 15 15 TYR HD2 H 1 6.607 0.015 . 1 . . . . 15 TYR HD2 . 15407 1 168 . 1 1 15 15 TYR HE1 H 1 6.702 0.015 . 1 . . . . 15 TYR HE1 . 15407 1 169 . 1 1 15 15 TYR HE2 H 1 6.702 0.015 . 1 . . . . 15 TYR HE2 . 15407 1 170 . 1 1 15 15 TYR C C 13 173.553 0.05 . 1 . . . . 15 TYR C . 15407 1 171 . 1 1 15 15 TYR CA C 13 58.119 0.05 . 1 . . . . 15 TYR CA . 15407 1 172 . 1 1 15 15 TYR CB C 13 42.601 0.05 . 1 . . . . 15 TYR CB . 15407 1 173 . 1 1 15 15 TYR CD1 C 13 133.354 0.05 . 3 . . . . 15 TYR CD1 . 15407 1 174 . 1 1 15 15 TYR CD2 C 13 133.354 0.05 . 3 . . . . 15 TYR CD2 . 15407 1 175 . 1 1 15 15 TYR CE1 C 13 117.540 0.05 . 3 . . . . 15 TYR CE1 . 15407 1 176 . 1 1 15 15 TYR CE2 C 13 117.540 0.05 . 3 . . . . 15 TYR CE2 . 15407 1 177 . 1 1 15 15 TYR N N 15 121.033 0.05 . 1 . . . . 15 TYR N . 15407 1 178 . 1 1 16 16 THR H H 1 7.622 0.015 . 1 . . . . 16 THR HN . 15407 1 179 . 1 1 16 16 THR HA H 1 4.193 0.015 . 1 . . . . 16 THR HA . 15407 1 180 . 1 1 16 16 THR HB H 1 3.694 0.015 . 1 . . . . 16 THR HB . 15407 1 181 . 1 1 16 16 THR HG21 H 1 1.041 0.015 . 1 . . . . 16 THR HG21 . 15407 1 182 . 1 1 16 16 THR HG22 H 1 1.041 0.015 . 1 . . . . 16 THR HG21 . 15407 1 183 . 1 1 16 16 THR HG23 H 1 1.041 0.015 . 1 . . . . 16 THR HG21 . 15407 1 184 . 1 1 16 16 THR C C 13 172.791 0.05 . 1 . . . . 16 THR C . 15407 1 185 . 1 1 16 16 THR CA C 13 60.752 0.05 . 1 . . . . 16 THR CA . 15407 1 186 . 1 1 16 16 THR CB C 13 69.649 0.05 . 1 . . . . 16 THR CB . 15407 1 187 . 1 1 16 16 THR CG2 C 13 21.356 0.05 . 1 . . . . 16 THR CG2 . 15407 1 188 . 1 1 16 16 THR N N 15 124.068 0.05 . 1 . . . . 16 THR N . 15407 1 189 . 1 1 17 17 GLY H H 1 8.088 0.015 . 1 . . . . 17 GLY HN . 15407 1 190 . 1 1 17 17 GLY HA2 H 1 3.981 0.015 . 2 . . . . 17 GLY HA1 . 15407 1 191 . 1 1 17 17 GLY HA3 H 1 3.531 0.015 . 2 . . . . 17 GLY HA2 . 15407 1 192 . 1 1 17 17 GLY C C 13 174.267 0.05 . 1 . . . . 17 GLY C . 15407 1 193 . 1 1 17 17 GLY CA C 13 45.958 0.05 . 1 . . . . 17 GLY CA . 15407 1 194 . 1 1 17 17 GLY N N 15 115.396 0.05 . 1 . . . . 17 GLY N . 15407 1 195 . 1 1 18 18 THR H H 1 8.149 0.015 . 1 . . . . 18 THR HN . 15407 1 196 . 1 1 18 18 THR HA H 1 4.346 0.015 . 1 . . . . 18 THR HA . 15407 1 197 . 1 1 18 18 THR HB H 1 4.346 0.015 . 1 . . . . 18 THR HB . 15407 1 198 . 1 1 18 18 THR HG21 H 1 1.166 0.015 . 1 . . . . 18 THR HG21 . 15407 1 199 . 1 1 18 18 THR HG22 H 1 1.166 0.015 . 1 . . . . 18 THR HG21 . 15407 1 200 . 1 1 18 18 THR HG23 H 1 1.166 0.015 . 1 . . . . 18 THR HG21 . 15407 1 201 . 1 1 18 18 THR C C 13 174.114 0.05 . 1 . . . . 18 THR C . 15407 1 202 . 1 1 18 18 THR CA C 13 61.741 0.05 . 1 . . . . 18 THR CA . 15407 1 203 . 1 1 18 18 THR CB C 13 69.585 0.05 . 1 . . . . 18 THR CB . 15407 1 204 . 1 1 18 18 THR CG2 C 13 21.531 0.05 . 1 . . . . 18 THR CG2 . 15407 1 205 . 1 1 18 18 THR N N 15 111.349 0.05 . 1 . . . . 18 THR N . 15407 1 206 . 1 1 19 19 ASN H H 1 7.578 0.015 . 1 . . . . 19 ASN HN . 15407 1 207 . 1 1 19 19 ASN HA H 1 4.825 0.015 . 1 . . . . 19 ASN HA . 15407 1 208 . 1 1 19 19 ASN HB2 H 1 2.779 0.015 . 2 . . . . 19 ASN HB1 . 15407 1 209 . 1 1 19 19 ASN HB3 H 1 2.779 0.015 . 2 . . . . 19 ASN HB2 . 15407 1 210 . 1 1 19 19 ASN HD21 H 1 7.408 0.015 . 2 . . . . 19 ASN HD21 . 15407 1 211 . 1 1 19 19 ASN HD22 H 1 6.691 0.015 . 2 . . . . 19 ASN HD22 . 15407 1 212 . 1 1 19 19 ASN C C 13 175.910 0.05 . 1 . . . . 19 ASN C . 15407 1 213 . 1 1 19 19 ASN CA C 13 52.196 0.05 . 1 . . . . 19 ASN CA . 15407 1 214 . 1 1 19 19 ASN CB C 13 40.720 0.05 . 1 . . . . 19 ASN CB . 15407 1 215 . 1 1 19 19 ASN N N 15 117.131 0.05 . 1 . . . . 19 ASN N . 15407 1 216 . 1 1 19 19 ASN ND2 N 15 113.510 0.05 . 1 . . . . 19 ASN ND2 . 15407 1 217 . 1 1 20 20 GLU H H 1 8.769 0.015 . 1 . . . . 20 GLU HN . 15407 1 218 . 1 1 20 20 GLU HA H 1 4.279 0.015 . 1 . . . . 20 GLU HA . 15407 1 219 . 1 1 20 20 GLU HB2 H 1 2.173 0.015 . 2 . . . . 20 GLU HB1 . 15407 1 220 . 1 1 20 20 GLU HB3 H 1 2.173 0.015 . 2 . . . . 20 GLU HB2 . 15407 1 221 . 1 1 20 20 GLU HG2 H 1 2.566 0.015 . 2 . . . . 20 GLU HG1 . 15407 1 222 . 1 1 20 20 GLU HG3 H 1 2.566 0.015 . 2 . . . . 20 GLU HG2 . 15407 1 223 . 1 1 20 20 GLU C C 13 176.040 0.05 . 1 . . . . 20 GLU C . 15407 1 224 . 1 1 20 20 GLU CA C 13 57.931 0.05 . 1 . . . . 20 GLU CA . 15407 1 225 . 1 1 20 20 GLU CB C 13 27.911 0.05 . 1 . . . . 20 GLU CB . 15407 1 226 . 1 1 20 20 GLU CG C 13 32.666 0.05 . 1 . . . . 20 GLU CG . 15407 1 227 . 1 1 20 20 GLU N N 15 119.154 0.05 . 1 . . . . 20 GLU N . 15407 1 228 . 1 1 21 21 ASP H H 1 8.709 0.015 . 1 . . . . 21 ASP HN . 15407 1 229 . 1 1 21 21 ASP HA H 1 4.930 0.015 . 1 . . . . 21 ASP HA . 15407 1 230 . 1 1 21 21 ASP HB2 H 1 3.071 0.015 . 2 . . . . 21 ASP HB1 . 15407 1 231 . 1 1 21 21 ASP HB3 H 1 3.071 0.015 . 2 . . . . 21 ASP HB2 . 15407 1 232 . 1 1 21 21 ASP C C 13 175.032 0.05 . 1 . . . . 21 ASP C . 15407 1 233 . 1 1 21 21 ASP CA C 13 53.266 0.05 . 1 . . . . 21 ASP CA . 15407 1 234 . 1 1 21 21 ASP CB C 13 38.252 0.05 . 1 . . . . 21 ASP CB . 15407 1 235 . 1 1 21 21 ASP N N 15 116.553 0.05 . 1 . . . . 21 ASP N . 15407 1 236 . 1 1 22 22 GLU H H 1 7.681 0.015 . 1 . . . . 22 GLU HN . 15407 1 237 . 1 1 22 22 GLU HA H 1 5.300 0.015 . 1 . . . . 22 GLU HA . 15407 1 238 . 1 1 22 22 GLU HB2 H 1 2.597 0.015 . 2 . . . . 22 GLU HB1 . 15407 1 239 . 1 1 22 22 GLU HB3 H 1 2.275 0.015 . 2 . . . . 22 GLU HB2 . 15407 1 240 . 1 1 22 22 GLU HG2 H 1 2.597 0.015 . 2 . . . . 22 GLU HG1 . 15407 1 241 . 1 1 22 22 GLU HG3 H 1 2.597 0.015 . 2 . . . . 22 GLU HG2 . 15407 1 242 . 1 1 22 22 GLU C C 13 176.399 0.05 . 1 . . . . 22 GLU C . 15407 1 243 . 1 1 22 22 GLU CA C 13 54.386 0.05 . 1 . . . . 22 GLU CA . 15407 1 244 . 1 1 22 22 GLU CB C 13 31.140 0.05 . 1 . . . . 22 GLU CB . 15407 1 245 . 1 1 22 22 GLU CG C 13 33.373 0.05 . 1 . . . . 22 GLU CG . 15407 1 246 . 1 1 22 22 GLU N N 15 119.010 0.05 . 1 . . . . 22 GLU N . 15407 1 247 . 1 1 23 23 LEU H H 1 8.450 0.015 . 1 . . . . 23 LEU HN . 15407 1 248 . 1 1 23 23 LEU HA H 1 4.547 0.015 . 1 . . . . 23 LEU HA . 15407 1 249 . 1 1 23 23 LEU HB2 H 1 1.692 0.015 . 2 . . . . 23 LEU HB1 . 15407 1 250 . 1 1 23 23 LEU HB3 H 1 1.573 0.015 . 2 . . . . 23 LEU HB2 . 15407 1 251 . 1 1 23 23 LEU HD11 H 1 0.900 0.015 . 2 . . . . 23 LEU HD11 . 15407 1 252 . 1 1 23 23 LEU HD12 H 1 0.900 0.015 . 2 . . . . 23 LEU HD11 . 15407 1 253 . 1 1 23 23 LEU HD13 H 1 0.900 0.015 . 2 . . . . 23 LEU HD11 . 15407 1 254 . 1 1 23 23 LEU HD21 H 1 0.900 0.015 . 2 . . . . 23 LEU HD21 . 15407 1 255 . 1 1 23 23 LEU HD22 H 1 0.900 0.015 . 2 . . . . 23 LEU HD21 . 15407 1 256 . 1 1 23 23 LEU HD23 H 1 0.900 0.015 . 2 . . . . 23 LEU HD21 . 15407 1 257 . 1 1 23 23 LEU HG H 1 0.876 0.015 . 1 . . . . 23 LEU HG . 15407 1 258 . 1 1 23 23 LEU C C 13 173.579 0.05 . 1 . . . . 23 LEU C . 15407 1 259 . 1 1 23 23 LEU CA C 13 54.375 0.05 . 1 . . . . 23 LEU CA . 15407 1 260 . 1 1 23 23 LEU CB C 13 44.902 0.05 . 1 . . . . 23 LEU CB . 15407 1 261 . 1 1 23 23 LEU CD1 C 13 23.268 0.05 . 1 . . . . 23 LEU CD1 . 15407 1 262 . 1 1 23 23 LEU CD2 C 13 23.268 0.05 . 1 . . . . 23 LEU CD2 . 15407 1 263 . 1 1 23 23 LEU CG C 13 25.375 0.05 . 1 . . . . 23 LEU CG . 15407 1 264 . 1 1 23 23 LEU N N 15 122.623 0.05 . 1 . . . . 23 LEU N . 15407 1 265 . 1 1 24 24 THR H H 1 7.584 0.015 . 1 . . . . 24 THR HN . 15407 1 266 . 1 1 24 24 THR HA H 1 4.639 0.015 . 1 . . . . 24 THR HA . 15407 1 267 . 1 1 24 24 THR HB H 1 3.952 0.015 . 1 . . . . 24 THR HB . 15407 1 268 . 1 1 24 24 THR HG21 H 1 1.324 0.015 . 1 . . . . 24 THR HG21 . 15407 1 269 . 1 1 24 24 THR HG22 H 1 1.324 0.015 . 1 . . . . 24 THR HG21 . 15407 1 270 . 1 1 24 24 THR HG23 H 1 1.324 0.015 . 1 . . . . 24 THR HG21 . 15407 1 271 . 1 1 24 24 THR C C 13 174.112 0.05 . 1 . . . . 24 THR C . 15407 1 272 . 1 1 24 24 THR CA C 13 61.804 0.05 . 1 . . . . 24 THR CA . 15407 1 273 . 1 1 24 24 THR CB C 13 72.148 0.05 . 1 . . . . 24 THR CB . 15407 1 274 . 1 1 24 24 THR CG2 C 13 21.725 0.05 . 1 . . . . 24 THR CG2 . 15407 1 275 . 1 1 24 24 THR N N 15 114.818 0.05 . 1 . . . . 24 THR N . 15407 1 276 . 1 1 25 25 PHE H H 1 8.839 0.015 . 1 . . . . 25 PHE HN . 15407 1 277 . 1 1 25 25 PHE HA H 1 5.018 0.015 . 1 . . . . 25 PHE HA . 15407 1 278 . 1 1 25 25 PHE HB2 H 1 3.254 0.015 . 2 . . . . 25 PHE HB1 . 15407 1 279 . 1 1 25 25 PHE HB3 H 1 3.127 0.015 . 2 . . . . 25 PHE HB2 . 15407 1 280 . 1 1 25 25 PHE HD1 H 1 6.775 0.015 . 1 . . . . 25 PHE HD1 . 15407 1 281 . 1 1 25 25 PHE HD2 H 1 6.775 0.015 . 1 . . . . 25 PHE HD2 . 15407 1 282 . 1 1 25 25 PHE C C 13 175.829 0.05 . 1 . . . . 25 PHE C . 15407 1 283 . 1 1 25 25 PHE CA C 13 55.411 0.05 . 1 . . . . 25 PHE CA . 15407 1 284 . 1 1 25 25 PHE CB C 13 40.288 0.05 . 1 . . . . 25 PHE CB . 15407 1 285 . 1 1 25 25 PHE N N 15 119.299 0.05 . 1 . . . . 25 PHE N . 15407 1 286 . 1 1 26 26 ARG H H 1 8.309 0.015 . 1 . . . . 26 ARG HN . 15407 1 287 . 1 1 26 26 ARG HA H 1 4.659 0.015 . 1 . . . . 26 ARG HA . 15407 1 288 . 1 1 26 26 ARG HB2 H 1 2.108 0.015 . 2 . . . . 26 ARG HB1 . 15407 1 289 . 1 1 26 26 ARG HB3 H 1 1.714 0.015 . 2 . . . . 26 ARG HB2 . 15407 1 290 . 1 1 26 26 ARG HD2 H 1 3.232 0.015 . 2 . . . . 26 ARG HD1 . 15407 1 291 . 1 1 26 26 ARG HD3 H 1 3.232 0.015 . 2 . . . . 26 ARG HD2 . 15407 1 292 . 1 1 26 26 ARG HE H 1 7.209 0.015 . 1 . . . . 26 ARG HE . 15407 1 293 . 1 1 26 26 ARG HG2 H 1 1.704 0.015 . 2 . . . . 26 ARG HG1 . 15407 1 294 . 1 1 26 26 ARG HG3 H 1 1.704 0.015 . 2 . . . . 26 ARG HG2 . 15407 1 295 . 1 1 26 26 ARG C C 13 176.707 0.05 . 1 . . . . 26 ARG C . 15407 1 296 . 1 1 26 26 ARG CA C 13 54.301 0.05 . 1 . . . . 26 ARG CA . 15407 1 297 . 1 1 26 26 ARG CB C 13 31.906 0.05 . 1 . . . . 26 ARG CB . 15407 1 298 . 1 1 26 26 ARG CD C 13 43.104 0.05 . 1 . . . . 26 ARG CD . 15407 1 299 . 1 1 26 26 ARG CG C 13 27.411 0.05 . 1 . . . . 26 ARG CG . 15407 1 300 . 1 1 26 26 ARG N N 15 119.003 0.05 . 1 . . . . 26 ARG N . 15407 1 301 . 1 1 26 26 ARG NE N 15 84.177 0.05 . 1 . . . . 26 ARG NE . 15407 1 302 . 1 1 27 27 GLU H H 1 8.776 0.015 . 1 . . . . 27 GLU HN . 15407 1 303 . 1 1 27 27 GLU HA H 1 3.622 0.015 . 1 . . . . 27 GLU HA . 15407 1 304 . 1 1 27 27 GLU HB2 H 1 1.922 0.015 . 2 . . . . 27 GLU HB1 . 15407 1 305 . 1 1 27 27 GLU HB3 H 1 1.717 0.015 . 2 . . . . 27 GLU HB2 . 15407 1 306 . 1 1 27 27 GLU HG2 H 1 2.372 0.015 . 2 . . . . 27 GLU HG1 . 15407 1 307 . 1 1 27 27 GLU HG3 H 1 2.372 0.015 . 2 . . . . 27 GLU HG2 . 15407 1 308 . 1 1 27 27 GLU C C 13 175.159 0.05 . 1 . . . . 27 GLU C . 15407 1 309 . 1 1 27 27 GLU CA C 13 57.651 0.05 . 1 . . . . 27 GLU CA . 15407 1 310 . 1 1 27 27 GLU CB C 13 28.174 0.05 . 1 . . . . 27 GLU CB . 15407 1 311 . 1 1 27 27 GLU CG C 13 32.728 0.05 . 1 . . . . 27 GLU CG . 15407 1 312 . 1 1 27 27 GLU N N 15 121.033 0.05 . 1 . . . . 27 GLU N . 15407 1 313 . 1 1 28 28 GLY H H 1 8.312 0.015 . 1 . . . . 28 GLY HN . 15407 1 314 . 1 1 28 28 GLY HA2 H 1 3.513 0.015 . 2 . . . . 28 GLY HA1 . 15407 1 315 . 1 1 28 28 GLY HA3 H 1 4.017 0.015 . 2 . . . . 28 GLY HA2 . 15407 1 316 . 1 1 28 28 GLY C C 13 174.416 0.05 . 1 . . . . 28 GLY C . 15407 1 317 . 1 1 28 28 GLY CA C 13 45.953 0.05 . 1 . . . . 28 GLY CA . 15407 1 318 . 1 1 28 28 GLY N N 15 113.807 0.05 . 1 . . . . 28 GLY N . 15407 1 319 . 1 1 29 29 GLU H H 1 8.039 0.015 . 1 . . . . 29 GLU HN . 15407 1 320 . 1 1 29 29 GLU HA H 1 4.547 0.015 . 1 . . . . 29 GLU HA . 15407 1 321 . 1 1 29 29 GLU HB2 H 1 2.022 0.015 . 2 . . . . 29 GLU HB1 . 15407 1 322 . 1 1 29 29 GLU HB3 H 1 1.743 0.015 . 2 . . . . 29 GLU HB2 . 15407 1 323 . 1 1 29 29 GLU HG2 H 1 2.302 0.015 . 2 . . . . 29 GLU HG1 . 15407 1 324 . 1 1 29 29 GLU HG3 H 1 2.302 0.015 . 2 . . . . 29 GLU HG2 . 15407 1 325 . 1 1 29 29 GLU C C 13 178.009 0.05 . 1 . . . . 29 GLU C . 15407 1 326 . 1 1 29 29 GLU CA C 13 55.509 0.05 . 1 . . . . 29 GLU CA . 15407 1 327 . 1 1 29 29 GLU CB C 13 30.777 0.05 . 1 . . . . 29 GLU CB . 15407 1 328 . 1 1 29 29 GLU CG C 13 34.915 0.05 . 1 . . . . 29 GLU CG . 15407 1 329 . 1 1 29 29 GLU N N 15 118.721 0.05 . 1 . . . . 29 GLU N . 15407 1 330 . 1 1 30 30 ILE H H 1 8.403 0.015 . 1 . . . . 30 ILE HN . 15407 1 331 . 1 1 30 30 ILE HA H 1 4.890 0.015 . 1 . . . . 30 ILE HA . 15407 1 332 . 1 1 30 30 ILE HB H 1 1.864 0.015 . 1 . . . . 30 ILE HB . 15407 1 333 . 1 1 30 30 ILE HD11 H 1 0.663 0.015 . 1 . . . . 30 ILE HD11 . 15407 1 334 . 1 1 30 30 ILE HD12 H 1 0.663 0.015 . 1 . . . . 30 ILE HD11 . 15407 1 335 . 1 1 30 30 ILE HD13 H 1 0.663 0.015 . 1 . . . . 30 ILE HD11 . 15407 1 336 . 1 1 30 30 ILE HG12 H 1 1.190 0.015 . 1 . . . . 30 ILE HG11 . 15407 1 337 . 1 1 30 30 ILE HG13 H 1 1.428 0.015 . 1 . . . . 30 ILE HG12 . 15407 1 338 . 1 1 30 30 ILE HG21 H 1 0.775 0.015 . 1 . . . . 30 ILE HG21 . 15407 1 339 . 1 1 30 30 ILE HG22 H 1 0.775 0.015 . 1 . . . . 30 ILE HG21 . 15407 1 340 . 1 1 30 30 ILE HG23 H 1 0.775 0.015 . 1 . . . . 30 ILE HG21 . 15407 1 341 . 1 1 30 30 ILE C C 13 175.584 0.05 . 1 . . . . 30 ILE C . 15407 1 342 . 1 1 30 30 ILE CA C 13 59.167 0.05 . 1 . . . . 30 ILE CA . 15407 1 343 . 1 1 30 30 ILE CB C 13 37.270 0.05 . 1 . . . . 30 ILE CB . 15407 1 344 . 1 1 30 30 ILE CD1 C 13 11.115 0.05 . 1 . . . . 30 ILE CD1 . 15407 1 345 . 1 1 30 30 ILE CG1 C 13 26.996 0.05 . 1 . . . . 30 ILE CG1 . 15407 1 346 . 1 1 30 30 ILE CG2 C 13 17.946 0.05 . 1 . . . . 30 ILE CG2 . 15407 1 347 . 1 1 30 30 ILE N N 15 120.889 0.05 . 1 . . . . 30 ILE N . 15407 1 348 . 1 1 31 31 ILE H H 1 9.036 0.015 . 1 . . . . 31 ILE HN . 15407 1 349 . 1 1 31 31 ILE HA H 1 4.260 0.015 . 1 . . . . 31 ILE HA . 15407 1 350 . 1 1 31 31 ILE HB H 1 1.514 0.015 . 1 . . . . 31 ILE HB . 15407 1 351 . 1 1 31 31 ILE HD11 H 1 -0.473 0.015 . 1 . . . . 31 ILE HD11 . 15407 1 352 . 1 1 31 31 ILE HD12 H 1 -0.473 0.015 . 1 . . . . 31 ILE HD11 . 15407 1 353 . 1 1 31 31 ILE HD13 H 1 -0.473 0.015 . 1 . . . . 31 ILE HD11 . 15407 1 354 . 1 1 31 31 ILE HG12 H 1 0.990 0.015 . 1 . . . . 31 ILE HG11 . 15407 1 355 . 1 1 31 31 ILE HG13 H 1 0.546 0.015 . 1 . . . . 31 ILE HG12 . 15407 1 356 . 1 1 31 31 ILE HG21 H 1 0.546 0.015 . 1 . . . . 31 ILE HG21 . 15407 1 357 . 1 1 31 31 ILE HG22 H 1 0.546 0.015 . 1 . . . . 31 ILE HG21 . 15407 1 358 . 1 1 31 31 ILE HG23 H 1 0.546 0.015 . 1 . . . . 31 ILE HG21 . 15407 1 359 . 1 1 31 31 ILE C C 13 176.042 0.05 . 1 . . . . 31 ILE C . 15407 1 360 . 1 1 31 31 ILE CA C 13 59.920 0.05 . 1 . . . . 31 ILE CA . 15407 1 361 . 1 1 31 31 ILE CB C 13 41.399 0.05 . 1 . . . . 31 ILE CB . 15407 1 362 . 1 1 31 31 ILE CD1 C 13 13.614 0.05 . 1 . . . . 31 ILE CD1 . 15407 1 363 . 1 1 31 31 ILE CG1 C 13 28.238 0.05 . 1 . . . . 31 ILE CG1 . 15407 1 364 . 1 1 31 31 ILE CG2 C 13 17.267 0.05 . 1 . . . . 31 ILE CG2 . 15407 1 365 . 1 1 31 31 ILE N N 15 126.814 0.05 . 1 . . . . 31 ILE N . 15407 1 366 . 1 1 32 32 HIS H H 1 8.629 0.015 . 1 . . . . 32 HIS HN . 15407 1 367 . 1 1 32 32 HIS HA H 1 4.820 0.015 . 1 . . . . 32 HIS HA . 15407 1 368 . 1 1 32 32 HIS HB2 H 1 3.398 0.015 . 2 . . . . 32 HIS HB1 . 15407 1 369 . 1 1 32 32 HIS HB3 H 1 3.398 0.015 . 2 . . . . 32 HIS HB2 . 15407 1 370 . 1 1 32 32 HIS HD2 H 1 7.748 0.015 . 1 . . . . 32 HIS HD2 . 15407 1 371 . 1 1 32 32 HIS HE1 H 1 8.746 0.015 . 1 . . . . 32 HIS HE1 . 15407 1 372 . 1 1 32 32 HIS C C 13 173.344 0.05 . 1 . . . . 32 HIS C . 15407 1 373 . 1 1 32 32 HIS CA C 13 53.746 0.05 . 1 . . . . 32 HIS CA . 15407 1 374 . 1 1 32 32 HIS CB C 13 28.892 0.05 . 1 . . . . 32 HIS CB . 15407 1 375 . 1 1 32 32 HIS CD2 C 13 119.100 0.05 . 1 . . . . 32 HIS CD2 . 15407 1 376 . 1 1 32 32 HIS CE1 C 13 136.585 0.05 . 1 . . . . 32 HIS CE1 . 15407 1 377 . 1 1 32 32 HIS N N 15 125.225 0.05 . 1 . . . . 32 HIS N . 15407 1 378 . 1 1 33 33 LEU H H 1 8.738 0.015 . 1 . . . . 33 LEU HN . 15407 1 379 . 1 1 33 33 LEU HA H 1 4.157 0.015 . 1 . . . . 33 LEU HA . 15407 1 380 . 1 1 33 33 LEU HB2 H 1 1.432 0.015 . 2 . . . . 33 LEU HB1 . 15407 1 381 . 1 1 33 33 LEU HB3 H 1 1.197 0.015 . 2 . . . . 33 LEU HB2 . 15407 1 382 . 1 1 33 33 LEU HD11 H 1 0.552 0.015 . 2 . . . . 33 LEU HD11 . 15407 1 383 . 1 1 33 33 LEU HD12 H 1 0.552 0.015 . 2 . . . . 33 LEU HD11 . 15407 1 384 . 1 1 33 33 LEU HD13 H 1 0.552 0.015 . 2 . . . . 33 LEU HD11 . 15407 1 385 . 1 1 33 33 LEU HD21 H 1 0.552 0.015 . 2 . . . . 33 LEU HD21 . 15407 1 386 . 1 1 33 33 LEU HD22 H 1 0.552 0.015 . 2 . . . . 33 LEU HD21 . 15407 1 387 . 1 1 33 33 LEU HD23 H 1 0.552 0.015 . 2 . . . . 33 LEU HD21 . 15407 1 388 . 1 1 33 33 LEU HG H 1 0.384 0.015 . 1 . . . . 33 LEU HG . 15407 1 389 . 1 1 33 33 LEU C C 13 173.990 0.05 . 1 . . . . 33 LEU C . 15407 1 390 . 1 1 33 33 LEU CA C 13 55.896 0.05 . 1 . . . . 33 LEU CA . 15407 1 391 . 1 1 33 33 LEU CB C 13 42.951 0.05 . 1 . . . . 33 LEU CB . 15407 1 392 . 1 1 33 33 LEU CD1 C 13 24.041 0.05 . 1 . . . . 33 LEU CD1 . 15407 1 393 . 1 1 33 33 LEU CD2 C 13 24.041 0.05 . 1 . . . . 33 LEU CD2 . 15407 1 394 . 1 1 33 33 LEU CG C 13 25.292 0.05 . 1 . . . . 33 LEU CG . 15407 1 395 . 1 1 33 33 LEU N N 15 132.885 0.05 . 1 . . . . 33 LEU N . 15407 1 396 . 1 1 34 34 ILE H H 1 8.821 0.015 . 1 . . . . 34 ILE HN . 15407 1 397 . 1 1 34 34 ILE HA H 1 3.932 0.015 . 1 . . . . 34 ILE HA . 15407 1 398 . 1 1 34 34 ILE HB H 1 1.299 0.015 . 1 . . . . 34 ILE HB . 15407 1 399 . 1 1 34 34 ILE HD11 H 1 0.553 0.015 . 1 . . . . 34 ILE HD11 . 15407 1 400 . 1 1 34 34 ILE HD12 H 1 0.553 0.015 . 1 . . . . 34 ILE HD11 . 15407 1 401 . 1 1 34 34 ILE HD13 H 1 0.553 0.015 . 1 . . . . 34 ILE HD11 . 15407 1 402 . 1 1 34 34 ILE HG12 H 1 1.202 0.015 . 1 . . . . 34 ILE HG11 . 15407 1 403 . 1 1 34 34 ILE HG13 H 1 1.056 0.015 . 1 . . . . 34 ILE HG12 . 15407 1 404 . 1 1 34 34 ILE HG21 H 1 0.767 0.015 . 1 . . . . 34 ILE HG21 . 15407 1 405 . 1 1 34 34 ILE HG22 H 1 0.767 0.015 . 1 . . . . 34 ILE HG21 . 15407 1 406 . 1 1 34 34 ILE HG23 H 1 0.767 0.015 . 1 . . . . 34 ILE HG21 . 15407 1 407 . 1 1 34 34 ILE C C 13 176.191 0.05 . 1 . . . . 34 ILE C . 15407 1 408 . 1 1 34 34 ILE CA C 13 61.337 0.05 . 1 . . . . 34 ILE CA . 15407 1 409 . 1 1 34 34 ILE CB C 13 38.741 0.05 . 1 . . . . 34 ILE CB . 15407 1 410 . 1 1 34 34 ILE CD1 C 13 11.363 0.05 . 1 . . . . 34 ILE CD1 . 15407 1 411 . 1 1 34 34 ILE CG1 C 13 27.188 0.05 . 1 . . . . 34 ILE CG1 . 15407 1 412 . 1 1 34 34 ILE CG2 C 13 16.812 0.05 . 1 . . . . 34 ILE CG2 . 15407 1 413 . 1 1 34 34 ILE N N 15 125.947 0.05 . 1 . . . . 34 ILE N . 15407 1 414 . 1 1 35 35 SER H H 1 7.640 0.015 . 1 . . . . 35 SER HN . 15407 1 415 . 1 1 35 35 SER HA H 1 4.417 0.015 . 1 . . . . 35 SER HA . 15407 1 416 . 1 1 35 35 SER HB2 H 1 3.932 0.015 . 2 . . . . 35 SER HB1 . 15407 1 417 . 1 1 35 35 SER HB3 H 1 3.307 0.015 . 2 . . . . 35 SER HB2 . 15407 1 418 . 1 1 35 35 SER C C 13 173.397 0.05 . 1 . . . . 35 SER C . 15407 1 419 . 1 1 35 35 SER CA C 13 57.610 0.05 . 1 . . . . 35 SER CA . 15407 1 420 . 1 1 35 35 SER CB C 13 65.098 0.05 . 1 . . . . 35 SER CB . 15407 1 421 . 1 1 35 35 SER N N 15 109.326 0.05 . 1 . . . . 35 SER N . 15407 1 422 . 1 1 36 36 LYS H H 1 8.742 0.015 . 1 . . . . 36 LYS HN . 15407 1 423 . 1 1 36 36 LYS HA H 1 4.237 0.015 . 1 . . . . 36 LYS HA . 15407 1 424 . 1 1 36 36 LYS HB2 H 1 1.812 0.015 . 2 . . . . 36 LYS HB1 . 15407 1 425 . 1 1 36 36 LYS HB3 H 1 1.812 0.015 . 2 . . . . 36 LYS HB2 . 15407 1 426 . 1 1 36 36 LYS HD2 H 1 1.202 0.015 . 2 . . . . 36 LYS HD1 . 15407 1 427 . 1 1 36 36 LYS HD3 H 1 1.202 0.015 . 2 . . . . 36 LYS HD2 . 15407 1 428 . 1 1 36 36 LYS HE2 H 1 2.402 0.015 . 2 . . . . 36 LYS HE1 . 15407 1 429 . 1 1 36 36 LYS HE3 H 1 2.043 0.015 . 2 . . . . 36 LYS HE2 . 15407 1 430 . 1 1 36 36 LYS HG2 H 1 0.753 0.015 . 2 . . . . 36 LYS HG1 . 15407 1 431 . 1 1 36 36 LYS HG3 H 1 -0.700 0.015 . 2 . . . . 36 LYS HG2 . 15407 1 432 . 1 1 36 36 LYS C C 13 175.204 0.05 . 1 . . . . 36 LYS C . 15407 1 433 . 1 1 36 36 LYS CA C 13 56.513 0.05 . 1 . . . . 36 LYS CA . 15407 1 434 . 1 1 36 36 LYS CB C 13 33.039 0.05 . 1 . . . . 36 LYS CB . 15407 1 435 . 1 1 36 36 LYS CD C 13 29.634 0.05 . 1 . . . . 36 LYS CD . 15407 1 436 . 1 1 36 36 LYS CE C 13 42.057 0.05 . 1 . . . . 36 LYS CE . 15407 1 437 . 1 1 36 36 LYS CG C 13 25.350 0.05 . 1 . . . . 36 LYS CG . 15407 1 438 . 1 1 36 36 LYS N N 15 124.936 0.05 . 1 . . . . 36 LYS N . 15407 1 439 . 1 1 37 37 GLU H H 1 8.414 0.015 . 1 . . . . 37 GLU HN . 15407 1 440 . 1 1 37 37 GLU HA H 1 4.877 0.015 . 1 . . . . 37 GLU HA . 15407 1 441 . 1 1 37 37 GLU HB2 H 1 2.064 0.015 . 2 . . . . 37 GLU HB1 . 15407 1 442 . 1 1 37 37 GLU HB3 H 1 1.917 0.015 . 2 . . . . 37 GLU HB2 . 15407 1 443 . 1 1 37 37 GLU HG2 H 1 2.403 0.015 . 2 . . . . 37 GLU HG1 . 15407 1 444 . 1 1 37 37 GLU HG3 H 1 2.403 0.015 . 2 . . . . 37 GLU HG2 . 15407 1 445 . 1 1 37 37 GLU C C 13 175.536 0.05 . 1 . . . . 37 GLU C . 15407 1 446 . 1 1 37 37 GLU CA C 13 54.617 0.05 . 1 . . . . 37 GLU CA . 15407 1 447 . 1 1 37 37 GLU CB C 13 28.498 0.05 . 1 . . . . 37 GLU CB . 15407 1 448 . 1 1 37 37 GLU CG C 13 32.539 0.05 . 1 . . . . 37 GLU CG . 15407 1 449 . 1 1 37 37 GLU N N 15 120.599 0.05 . 1 . . . . 37 GLU N . 15407 1 450 . 1 1 38 38 THR H H 1 8.813 0.015 . 1 . . . . 38 THR HN . 15407 1 451 . 1 1 38 38 THR HA H 1 4.431 0.015 . 1 . . . . 38 THR HA . 15407 1 452 . 1 1 38 38 THR HB H 1 4.431 0.015 . 1 . . . . 38 THR HB . 15407 1 453 . 1 1 38 38 THR HG21 H 1 1.109 0.015 . 1 . . . . 38 THR HG21 . 15407 1 454 . 1 1 38 38 THR HG22 H 1 1.109 0.015 . 1 . . . . 38 THR HG21 . 15407 1 455 . 1 1 38 38 THR HG23 H 1 1.109 0.015 . 1 . . . . 38 THR HG21 . 15407 1 456 . 1 1 38 38 THR C C 13 175.560 0.05 . 1 . . . . 38 THR C . 15407 1 457 . 1 1 38 38 THR CA C 13 61.129 0.05 . 1 . . . . 38 THR CA . 15407 1 458 . 1 1 38 38 THR CB C 13 71.073 0.05 . 1 . . . . 38 THR CB . 15407 1 459 . 1 1 38 38 THR CG2 C 13 22.178 0.05 . 1 . . . . 38 THR CG2 . 15407 1 460 . 1 1 38 38 THR N N 15 113.951 0.05 . 1 . . . . 38 THR N . 15407 1 461 . 1 1 39 39 GLY H H 1 8.647 0.015 . 1 . . . . 39 GLY HN . 15407 1 462 . 1 1 39 39 GLY HA2 H 1 4.256 0.015 . 2 . . . . 39 GLY HA1 . 15407 1 463 . 1 1 39 39 GLY HA3 H 1 3.683 0.015 . 2 . . . . 39 GLY HA2 . 15407 1 464 . 1 1 39 39 GLY C C 13 173.034 0.05 . 1 . . . . 39 GLY C . 15407 1 465 . 1 1 39 39 GLY CA C 13 45.137 0.05 . 1 . . . . 39 GLY CA . 15407 1 466 . 1 1 39 39 GLY N N 15 110.916 0.05 . 1 . . . . 39 GLY N . 15407 1 467 . 1 1 40 40 GLU H H 1 7.605 0.015 . 1 . . . . 40 GLU HN . 15407 1 468 . 1 1 40 40 GLU HA H 1 4.561 0.015 . 1 . . . . 40 GLU HA . 15407 1 469 . 1 1 40 40 GLU HB2 H 1 1.767 0.015 . 2 . . . . 40 GLU HB1 . 15407 1 470 . 1 1 40 40 GLU HB3 H 1 1.582 0.015 . 2 . . . . 40 GLU HB2 . 15407 1 471 . 1 1 40 40 GLU HG2 H 1 2.184 0.015 . 2 . . . . 40 GLU HG1 . 15407 1 472 . 1 1 40 40 GLU HG3 H 1 2.184 0.015 . 2 . . . . 40 GLU HG2 . 15407 1 473 . 1 1 40 40 GLU C C 13 174.928 0.05 . 1 . . . . 40 GLU C . 15407 1 474 . 1 1 40 40 GLU CA C 13 53.983 0.05 . 1 . . . . 40 GLU CA . 15407 1 475 . 1 1 40 40 GLU CB C 13 29.954 0.05 . 1 . . . . 40 GLU CB . 15407 1 476 . 1 1 40 40 GLU CG C 13 32.271 0.05 . 1 . . . . 40 GLU CG . 15407 1 477 . 1 1 40 40 GLU N N 15 119.879 0.05 . 1 . . . . 40 GLU N . 15407 1 478 . 1 1 41 41 ALA H H 1 8.827 0.015 . 1 . . . . 41 ALA HN . 15407 1 479 . 1 1 41 41 ALA HA H 1 4.289 0.015 . 1 . . . . 41 ALA HA . 15407 1 480 . 1 1 41 41 ALA HB1 H 1 1.438 0.015 . 1 . . . . 41 ALA HB1 . 15407 1 481 . 1 1 41 41 ALA HB2 H 1 1.438 0.015 . 1 . . . . 41 ALA HB1 . 15407 1 482 . 1 1 41 41 ALA HB3 H 1 1.438 0.015 . 1 . . . . 41 ALA HB1 . 15407 1 483 . 1 1 41 41 ALA C C 13 179.103 0.05 . 1 . . . . 41 ALA C . 15407 1 484 . 1 1 41 41 ALA CA C 13 54.008 0.05 . 1 . . . . 41 ALA CA . 15407 1 485 . 1 1 41 41 ALA CB C 13 18.042 0.05 . 1 . . . . 41 ALA CB . 15407 1 486 . 1 1 41 41 ALA N N 15 130.572 0.05 . 1 . . . . 41 ALA N . 15407 1 487 . 1 1 42 42 GLY H H 1 9.093 0.015 . 1 . . . . 42 GLY HN . 15407 1 488 . 1 1 42 42 GLY HA2 H 1 4.130 0.015 . 2 . . . . 42 GLY HA1 . 15407 1 489 . 1 1 42 42 GLY HA3 H 1 3.527 0.015 . 2 . . . . 42 GLY HA2 . 15407 1 490 . 1 1 42 42 GLY C C 13 173.983 0.05 . 1 . . . . 42 GLY C . 15407 1 491 . 1 1 42 42 GLY CA C 13 45.165 0.05 . 1 . . . . 42 GLY CA . 15407 1 492 . 1 1 42 42 GLY N N 15 109.615 0.05 . 1 . . . . 42 GLY N . 15407 1 493 . 1 1 43 43 TRP H H 1 7.763 0.015 . 1 . . . . 43 TRP HN . 15407 1 494 . 1 1 43 43 TRP HA H 1 4.742 0.015 . 1 . . . . 43 TRP HA . 15407 1 495 . 1 1 43 43 TRP HB2 H 1 2.974 0.015 . 2 . . . . 43 TRP HB1 . 15407 1 496 . 1 1 43 43 TRP HB3 H 1 2.790 0.015 . 2 . . . . 43 TRP HB2 . 15407 1 497 . 1 1 43 43 TRP HD1 H 1 7.069 0.015 . 1 . . . . 43 TRP HD1 . 15407 1 498 . 1 1 43 43 TRP HE1 H 1 10.041 0.015 . 1 . . . . 43 TRP HE1 . 15407 1 499 . 1 1 43 43 TRP HE3 H 1 7.132 0.015 . 1 . . . . 43 TRP HE3 . 15407 1 500 . 1 1 43 43 TRP HH2 H 1 7.236 0.015 . 1 . . . . 43 TRP HH2 . 15407 1 501 . 1 1 43 43 TRP HZ2 H 1 7.353 0.015 . 1 . . . . 43 TRP HZ2 . 15407 1 502 . 1 1 43 43 TRP HZ3 H 1 6.903 0.015 . 1 . . . . 43 TRP HZ3 . 15407 1 503 . 1 1 43 43 TRP C C 13 174.947 0.05 . 1 . . . . 43 TRP C . 15407 1 504 . 1 1 43 43 TRP CA C 13 56.846 0.05 . 1 . . . . 43 TRP CA . 15407 1 505 . 1 1 43 43 TRP CB C 13 30.289 0.05 . 1 . . . . 43 TRP CB . 15407 1 506 . 1 1 43 43 TRP CH2 C 13 123.656 0.05 . 1 . . . . 43 TRP CH2 . 15407 1 507 . 1 1 43 43 TRP CZ2 C 13 114.379 0.05 . 1 . . . . 43 TRP CZ2 . 15407 1 508 . 1 1 43 43 TRP CZ3 C 13 120.499 0.05 . 1 . . . . 43 TRP CZ3 . 15407 1 509 . 1 1 43 43 TRP N N 15 121.033 0.05 . 1 . . . . 43 TRP N . 15407 1 510 . 1 1 43 43 TRP NE1 N 15 130.280 0.05 . 1 . . . . 43 TRP NE1 . 15407 1 511 . 1 1 44 44 TRP H H 1 8.442 0.015 . 1 . . . . 44 TRP HN . 15407 1 512 . 1 1 44 44 TRP HA H 1 5.129 0.015 . 1 . . . . 44 TRP HA . 15407 1 513 . 1 1 44 44 TRP HB2 H 1 2.787 0.015 . 2 . . . . 44 TRP HB1 . 15407 1 514 . 1 1 44 44 TRP HB3 H 1 1.935 0.015 . 2 . . . . 44 TRP HB2 . 15407 1 515 . 1 1 44 44 TRP HD1 H 1 7.262 0.015 . 1 . . . . 44 TRP HD1 . 15407 1 516 . 1 1 44 44 TRP HE1 H 1 10.352 0.015 . 1 . . . . 44 TRP HE1 . 15407 1 517 . 1 1 44 44 TRP HE3 H 1 7.450 0.015 . 1 . . . . 44 TRP HE3 . 15407 1 518 . 1 1 44 44 TRP HH2 H 1 7.260 0.015 . 1 . . . . 44 TRP HH2 . 15407 1 519 . 1 1 44 44 TRP HZ2 H 1 7.511 0.015 . 1 . . . . 44 TRP HZ2 . 15407 1 520 . 1 1 44 44 TRP HZ3 H 1 6.768 0.015 . 1 . . . . 44 TRP HZ3 . 15407 1 521 . 1 1 44 44 TRP C C 13 173.600 0.05 . 1 . . . . 44 TRP C . 15407 1 522 . 1 1 44 44 TRP CA C 13 52.677 0.05 . 1 . . . . 44 TRP CA . 15407 1 523 . 1 1 44 44 TRP CB C 13 33.670 0.05 . 1 . . . . 44 TRP CB . 15407 1 524 . 1 1 44 44 TRP CD1 C 13 124.665 0.05 . 1 . . . . 44 TRP CD1 . 15407 1 525 . 1 1 44 44 TRP CE3 C 13 121.050 0.05 . 1 . . . . 44 TRP CE3 . 15407 1 526 . 1 1 44 44 TRP CZ2 C 13 114.365 0.05 . 1 . . . . 44 TRP CZ2 . 15407 1 527 . 1 1 44 44 TRP CZ3 C 13 120.967 0.05 . 1 . . . . 44 TRP CZ3 . 15407 1 528 . 1 1 44 44 TRP N N 15 123.635 0.05 . 1 . . . . 44 TRP N . 15407 1 529 . 1 1 44 44 TRP NE1 N 15 129.130 0.05 . 1 . . . . 44 TRP NE1 . 15407 1 530 . 1 1 45 45 LYS H H 1 8.802 0.015 . 1 . . . . 45 LYS HN . 15407 1 531 . 1 1 45 45 LYS HA H 1 5.232 0.015 . 1 . . . . 45 LYS HA . 15407 1 532 . 1 1 45 45 LYS HB2 H 1 1.726 0.015 . 2 . . . . 45 LYS HB1 . 15407 1 533 . 1 1 45 45 LYS HB3 H 1 1.582 0.015 . 2 . . . . 45 LYS HB2 . 15407 1 534 . 1 1 45 45 LYS HD2 H 1 1.582 0.015 . 2 . . . . 45 LYS HD1 . 15407 1 535 . 1 1 45 45 LYS HD3 H 1 1.582 0.015 . 2 . . . . 45 LYS HD2 . 15407 1 536 . 1 1 45 45 LYS HE2 H 1 2.857 0.015 . 2 . . . . 45 LYS HE1 . 15407 1 537 . 1 1 45 45 LYS HE3 H 1 2.857 0.015 . 2 . . . . 45 LYS HE2 . 15407 1 538 . 1 1 45 45 LYS HG2 H 1 1.300 0.015 . 2 . . . . 45 LYS HG1 . 15407 1 539 . 1 1 45 45 LYS HG3 H 1 1.222 0.015 . 2 . . . . 45 LYS HG2 . 15407 1 540 . 1 1 45 45 LYS C C 13 176.287 0.05 . 1 . . . . 45 LYS C . 15407 1 541 . 1 1 45 45 LYS CA C 13 54.996 0.05 . 1 . . . . 45 LYS CA . 15407 1 542 . 1 1 45 45 LYS CB C 13 35.677 0.05 . 1 . . . . 45 LYS CB . 15407 1 543 . 1 1 45 45 LYS CD C 13 29.563 0.05 . 1 . . . . 45 LYS CD . 15407 1 544 . 1 1 45 45 LYS CE C 13 41.915 0.05 . 1 . . . . 45 LYS CE . 15407 1 545 . 1 1 45 45 LYS CG C 13 25.747 0.05 . 1 . . . . 45 LYS CG . 15407 1 546 . 1 1 45 45 LYS N N 15 118.287 0.05 . 1 . . . . 45 LYS N . 15407 1 547 . 1 1 46 46 GLY H H 1 9.568 0.015 . 1 . . . . 46 GLY HN . 15407 1 548 . 1 1 46 46 GLY HA2 H 1 5.137 0.015 . 2 . . . . 46 GLY HA1 . 15407 1 549 . 1 1 46 46 GLY HA3 H 1 3.764 0.015 . 2 . . . . 46 GLY HA2 . 15407 1 550 . 1 1 46 46 GLY C C 13 169.537 0.05 . 1 . . . . 46 GLY C . 15407 1 551 . 1 1 46 46 GLY CA C 13 45.375 0.05 . 1 . . . . 46 GLY CA . 15407 1 552 . 1 1 46 46 GLY N N 15 113.951 0.05 . 1 . . . . 46 GLY N . 15407 1 553 . 1 1 47 47 GLU H H 1 8.948 0.015 . 1 . . . . 47 GLU HN . 15407 1 554 . 1 1 47 47 GLU HA H 1 5.630 0.015 . 1 . . . . 47 GLU HA . 15407 1 555 . 1 1 47 47 GLU HB2 H 1 2.112 0.015 . 2 . . . . 47 GLU HB1 . 15407 1 556 . 1 1 47 47 GLU HB3 H 1 1.884 0.015 . 2 . . . . 47 GLU HB2 . 15407 1 557 . 1 1 47 47 GLU HG2 H 1 2.376 0.015 . 2 . . . . 47 GLU HG1 . 15407 1 558 . 1 1 47 47 GLU HG3 H 1 2.376 0.015 . 2 . . . . 47 GLU HG2 . 15407 1 559 . 1 1 47 47 GLU C C 13 173.957 0.05 . 1 . . . . 47 GLU C . 15407 1 560 . 1 1 47 47 GLU CA C 13 54.121 0.05 . 1 . . . . 47 GLU CA . 15407 1 561 . 1 1 47 47 GLU CB C 13 31.931 0.05 . 1 . . . . 47 GLU CB . 15407 1 562 . 1 1 47 47 GLU CG C 13 32.787 0.05 . 1 . . . . 47 GLU CG . 15407 1 563 . 1 1 47 47 GLU N N 15 119.299 0.05 . 1 . . . . 47 GLU N . 15407 1 564 . 1 1 48 48 LEU H H 1 9.076 0.015 . 1 . . . . 48 LEU HN . 15407 1 565 . 1 1 48 48 LEU HA H 1 4.746 0.015 . 1 . . . . 48 LEU HA . 15407 1 566 . 1 1 48 48 LEU HB2 H 1 1.859 0.015 . 2 . . . . 48 LEU HB1 . 15407 1 567 . 1 1 48 48 LEU HB3 H 1 1.416 0.015 . 2 . . . . 48 LEU HB2 . 15407 1 568 . 1 1 48 48 LEU HD11 H 1 0.980 0.015 . 2 . . . . 48 LEU HD11 . 15407 1 569 . 1 1 48 48 LEU HD12 H 1 0.980 0.015 . 2 . . . . 48 LEU HD11 . 15407 1 570 . 1 1 48 48 LEU HD13 H 1 0.980 0.015 . 2 . . . . 48 LEU HD11 . 15407 1 571 . 1 1 48 48 LEU HD21 H 1 0.981 0.015 . 2 . . . . 48 LEU HD21 . 15407 1 572 . 1 1 48 48 LEU HD22 H 1 0.981 0.015 . 2 . . . . 48 LEU HD21 . 15407 1 573 . 1 1 48 48 LEU HD23 H 1 0.981 0.015 . 2 . . . . 48 LEU HD21 . 15407 1 574 . 1 1 48 48 LEU HG H 1 1.558 0.015 . 1 . . . . 48 LEU HG . 15407 1 575 . 1 1 48 48 LEU C C 13 175.823 0.05 . 1 . . . . 48 LEU C . 15407 1 576 . 1 1 48 48 LEU CA C 13 54.612 0.05 . 1 . . . . 48 LEU CA . 15407 1 577 . 1 1 48 48 LEU CB C 13 46.348 0.05 . 1 . . . . 48 LEU CB . 15407 1 578 . 1 1 48 48 LEU CD1 C 13 26.700 0.05 . 1 . . . . 48 LEU CD1 . 15407 1 579 . 1 1 48 48 LEU CD2 C 13 22.891 0.05 . 1 . . . . 48 LEU CD2 . 15407 1 580 . 1 1 48 48 LEU CG C 13 27.537 0.05 . 1 . . . . 48 LEU CG . 15407 1 581 . 1 1 48 48 LEU N N 15 127.393 0.05 . 1 . . . . 48 LEU N . 15407 1 582 . 1 1 49 49 ASN H H 1 9.915 0.015 . 1 . . . . 49 ASN HN . 15407 1 583 . 1 1 49 49 ASN HA H 1 4.513 0.015 . 1 . . . . 49 ASN HA . 15407 1 584 . 1 1 49 49 ASN HB2 H 1 3.164 0.015 . 2 . . . . 49 ASN HB1 . 15407 1 585 . 1 1 49 49 ASN HB3 H 1 2.830 0.015 . 2 . . . . 49 ASN HB2 . 15407 1 586 . 1 1 49 49 ASN HD21 H 1 7.747 0.015 . 2 . . . . 49 ASN HD21 . 15407 1 587 . 1 1 49 49 ASN HD22 H 1 6.981 0.015 . 2 . . . . 49 ASN HD22 . 15407 1 588 . 1 1 49 49 ASN C C 13 174.976 0.05 . 1 . . . . 49 ASN C . 15407 1 589 . 1 1 49 49 ASN CA C 13 54.427 0.05 . 1 . . . . 49 ASN CA . 15407 1 590 . 1 1 49 49 ASN CB C 13 37.611 0.05 . 1 . . . . 49 ASN CB . 15407 1 591 . 1 1 49 49 ASN N N 15 127.971 0.05 . 1 . . . . 49 ASN N . 15407 1 592 . 1 1 49 49 ASN ND2 N 15 112.795 0.05 . 1 . . . . 49 ASN ND2 . 15407 1 593 . 1 1 50 50 GLY H H 1 8.674 0.015 . 1 . . . . 50 GLY HN . 15407 1 594 . 1 1 50 50 GLY HA2 H 1 4.227 0.015 . 2 . . . . 50 GLY HA1 . 15407 1 595 . 1 1 50 50 GLY HA3 H 1 3.729 0.015 . 2 . . . . 50 GLY HA2 . 15407 1 596 . 1 1 50 50 GLY C C 13 173.657 0.05 . 1 . . . . 50 GLY C . 15407 1 597 . 1 1 50 50 GLY CA C 13 45.624 0.05 . 1 . . . . 50 GLY CA . 15407 1 598 . 1 1 50 50 GLY N N 15 103.689 0.05 . 1 . . . . 50 GLY N . 15407 1 599 . 1 1 51 51 LYS H H 1 7.842 0.015 . 1 . . . . 51 LYS HN . 15407 1 600 . 1 1 51 51 LYS HA H 1 4.728 0.015 . 1 . . . . 51 LYS HA . 15407 1 601 . 1 1 51 51 LYS HB2 H 1 1.930 0.015 . 2 . . . . 51 LYS HB1 . 15407 1 602 . 1 1 51 51 LYS HB3 H 1 1.930 0.015 . 2 . . . . 51 LYS HB2 . 15407 1 603 . 1 1 51 51 LYS HD2 H 1 1.871 0.015 . 2 . . . . 51 LYS HD1 . 15407 1 604 . 1 1 51 51 LYS HD3 H 1 1.871 0.015 . 2 . . . . 51 LYS HD2 . 15407 1 605 . 1 1 51 51 LYS HE2 H 1 3.160 0.015 . 2 . . . . 51 LYS HE1 . 15407 1 606 . 1 1 51 51 LYS HE3 H 1 3.160 0.015 . 2 . . . . 51 LYS HE2 . 15407 1 607 . 1 1 51 51 LYS HG2 H 1 1.539 0.015 . 2 . . . . 51 LYS HG1 . 15407 1 608 . 1 1 51 51 LYS HG3 H 1 1.436 0.015 . 2 . . . . 51 LYS HG2 . 15407 1 609 . 1 1 51 51 LYS C C 13 174.639 0.05 . 1 . . . . 51 LYS C . 15407 1 610 . 1 1 51 51 LYS CA C 13 54.696 0.05 . 1 . . . . 51 LYS CA . 15407 1 611 . 1 1 51 51 LYS CB C 13 34.720 0.05 . 1 . . . . 51 LYS CB . 15407 1 612 . 1 1 51 51 LYS CD C 13 29.059 0.05 . 1 . . . . 51 LYS CD . 15407 1 613 . 1 1 51 51 LYS CE C 13 42.792 0.05 . 1 . . . . 51 LYS CE . 15407 1 614 . 1 1 51 51 LYS CG C 13 25.135 0.05 . 1 . . . . 51 LYS CG . 15407 1 615 . 1 1 51 51 LYS N N 15 121.467 0.05 . 1 . . . . 51 LYS N . 15407 1 616 . 1 1 52 52 GLU H H 1 8.778 0.015 . 1 . . . . 52 GLU HN . 15407 1 617 . 1 1 52 52 GLU HA H 1 5.609 0.015 . 1 . . . . 52 GLU HA . 15407 1 618 . 1 1 52 52 GLU HB2 H 1 2.024 0.015 . 2 . . . . 52 GLU HB1 . 15407 1 619 . 1 1 52 52 GLU HB3 H 1 1.946 0.015 . 2 . . . . 52 GLU HB2 . 15407 1 620 . 1 1 52 52 GLU HG2 H 1 2.446 0.015 . 2 . . . . 52 GLU HG1 . 15407 1 621 . 1 1 52 52 GLU HG3 H 1 2.446 0.015 . 2 . . . . 52 GLU HG2 . 15407 1 622 . 1 1 52 52 GLU C C 13 176.068 0.05 . 1 . . . . 52 GLU C . 15407 1 623 . 1 1 52 52 GLU CA C 13 53.813 0.05 . 1 . . . . 52 GLU CA . 15407 1 624 . 1 1 52 52 GLU CB C 13 31.075 0.05 . 1 . . . . 52 GLU CB . 15407 1 625 . 1 1 52 52 GLU CG C 13 33.272 0.05 . 1 . . . . 52 GLU CG . 15407 1 626 . 1 1 52 52 GLU N N 15 121.611 0.05 . 1 . . . . 52 GLU N . 15407 1 627 . 1 1 53 53 GLY H H 1 8.888 0.015 . 1 . . . . 53 GLY HN . 15407 1 628 . 1 1 53 53 GLY HA2 H 1 4.413 0.015 . 2 . . . . 53 GLY HA1 . 15407 1 629 . 1 1 53 53 GLY HA3 H 1 3.961 0.015 . 2 . . . . 53 GLY HA2 . 15407 1 630 . 1 1 53 53 GLY C C 13 171.961 0.05 . 1 . . . . 53 GLY C . 15407 1 631 . 1 1 53 53 GLY CA C 13 45.661 0.05 . 1 . . . . 53 GLY CA . 15407 1 632 . 1 1 53 53 GLY N N 15 109.326 0.05 . 1 . . . . 53 GLY N . 15407 1 633 . 1 1 54 54 VAL H H 1 9.092 0.015 . 1 . . . . 54 VAL HN . 15407 1 634 . 1 1 54 54 VAL HA H 1 6.216 0.015 . 1 . . . . 54 VAL HA . 15407 1 635 . 1 1 54 54 VAL HB H 1 2.586 0.015 . 1 . . . . 54 VAL HB . 15407 1 636 . 1 1 54 54 VAL HG11 H 1 1.042 0.015 . 2 . . . . 54 VAL HG11 . 15407 1 637 . 1 1 54 54 VAL HG12 H 1 1.042 0.015 . 2 . . . . 54 VAL HG11 . 15407 1 638 . 1 1 54 54 VAL HG13 H 1 1.042 0.015 . 2 . . . . 54 VAL HG11 . 15407 1 639 . 1 1 54 54 VAL HG21 H 1 0.957 0.015 . 2 . . . . 54 VAL HG21 . 15407 1 640 . 1 1 54 54 VAL HG22 H 1 0.957 0.015 . 2 . . . . 54 VAL HG21 . 15407 1 641 . 1 1 54 54 VAL HG23 H 1 0.957 0.015 . 2 . . . . 54 VAL HG21 . 15407 1 642 . 1 1 54 54 VAL C C 13 176.649 0.05 . 1 . . . . 54 VAL C . 15407 1 643 . 1 1 54 54 VAL CA C 13 59.856 0.05 . 1 . . . . 54 VAL CA . 15407 1 644 . 1 1 54 54 VAL CB C 13 34.981 0.05 . 1 . . . . 54 VAL CB . 15407 1 645 . 1 1 54 54 VAL CG1 C 13 21.421 0.05 . 1 . . . . 54 VAL CG1 . 15407 1 646 . 1 1 54 54 VAL CG2 C 13 18.560 0.05 . 1 . . . . 54 VAL CG2 . 15407 1 647 . 1 1 54 54 VAL N N 15 112.650 0.05 . 1 . . . . 54 VAL N . 15407 1 648 . 1 1 55 55 PHE H H 1 8.939 0.015 . 1 . . . . 55 PHE HN . 15407 1 649 . 1 1 55 55 PHE HA H 1 5.021 0.015 . 1 . . . . 55 PHE HA . 15407 1 650 . 1 1 55 55 PHE HB2 H 1 3.269 0.015 . 2 . . . . 55 PHE HB1 . 15407 1 651 . 1 1 55 55 PHE HB3 H 1 2.553 0.015 . 2 . . . . 55 PHE HB2 . 15407 1 652 . 1 1 55 55 PHE HD1 H 1 7.018 0.015 . 1 . . . . 55 PHE HD1 . 15407 1 653 . 1 1 55 55 PHE HD2 H 1 7.018 0.015 . 1 . . . . 55 PHE HD2 . 15407 1 654 . 1 1 55 55 PHE HE1 H 1 6.885 0.015 . 1 . . . . 55 PHE HE1 . 15407 1 655 . 1 1 55 55 PHE HE2 H 1 6.885 0.015 . 1 . . . . 55 PHE HE2 . 15407 1 656 . 1 1 55 55 PHE HZ H 1 7.258 0.015 . 1 . . . . 55 PHE HZ . 15407 1 657 . 1 1 55 55 PHE CA C 13 55.077 0.05 . 1 . . . . 55 PHE CA . 15407 1 658 . 1 1 55 55 PHE CB C 13 38.807 0.05 . 1 . . . . 55 PHE CB . 15407 1 659 . 1 1 55 55 PHE CD1 C 13 133.916 0.05 . 3 . . . . 55 PHE CD1 . 15407 1 660 . 1 1 55 55 PHE CD2 C 13 133.916 0.05 . 3 . . . . 55 PHE CD2 . 15407 1 661 . 1 1 55 55 PHE CE1 C 13 129.495 0.05 . 3 . . . . 55 PHE CE1 . 15407 1 662 . 1 1 55 55 PHE CE2 C 13 129.495 0.05 . 3 . . . . 55 PHE CE2 . 15407 1 663 . 1 1 55 55 PHE CZ C 13 129.522 0.05 . 1 . . . . 55 PHE CZ . 15407 1 664 . 1 1 55 55 PHE N N 15 116.119 0.05 . 1 . . . . 55 PHE N . 15407 1 665 . 1 1 56 56 PRO HA H 1 3.297 0.015 . 1 . . . . 56 PRO HA . 15407 1 666 . 1 1 56 56 PRO HB2 H 1 1.396 0.015 . 2 . . . . 56 PRO HB1 . 15407 1 667 . 1 1 56 56 PRO HB3 H 1 1.105 0.015 . 2 . . . . 56 PRO HB2 . 15407 1 668 . 1 1 56 56 PRO HD2 H 1 2.442 0.015 . 2 . . . . 56 PRO HD2 . 15407 1 669 . 1 1 56 56 PRO HD3 H 1 2.164 0.015 . 2 . . . . 56 PRO HD3 . 15407 1 670 . 1 1 56 56 PRO HG2 H 1 0.846 0.015 . 2 . . . . 56 PRO HG2 . 15407 1 671 . 1 1 56 56 PRO HG3 H 1 0.175 0.015 . 2 . . . . 56 PRO HG3 . 15407 1 672 . 1 1 56 56 PRO C C 13 178.366 0.05 . 1 . . . . 56 PRO C . 15407 1 673 . 1 1 56 56 PRO CA C 13 61.377 0.05 . 1 . . . . 56 PRO CA . 15407 1 674 . 1 1 56 56 PRO CB C 13 30.487 0.05 . 1 . . . . 56 PRO CB . 15407 1 675 . 1 1 56 56 PRO CD C 13 49.64 0.05 . 1 . . . . 56 PRO CD . 15407 1 676 . 1 1 56 56 PRO CG C 13 27.102 0.05 . 1 . . . . 56 PRO CG . 15407 1 677 . 1 1 57 57 ASP H H 1 8.215 0.015 . 1 . . . . 57 ASP HN . 15407 1 678 . 1 1 57 57 ASP HA H 1 2.913 0.015 . 1 . . . . 57 ASP HA . 15407 1 679 . 1 1 57 57 ASP HB2 H 1 0.848 0.015 . 2 . . . . 57 ASP HB1 . 15407 1 680 . 1 1 57 57 ASP HB3 H 1 0.472 0.015 . 2 . . . . 57 ASP HB2 . 15407 1 681 . 1 1 57 57 ASP C C 13 174.753 0.05 . 1 . . . . 57 ASP C . 15407 1 682 . 1 1 57 57 ASP CA C 13 54.608 0.05 . 1 . . . . 57 ASP CA . 15407 1 683 . 1 1 57 57 ASP CB C 13 33.692 0.05 . 1 . . . . 57 ASP CB . 15407 1 684 . 1 1 57 57 ASP N N 15 121.467 0.05 . 1 . . . . 57 ASP N . 15407 1 685 . 1 1 58 58 ASN H H 1 8.091 0.015 . 1 . . . . 58 ASN HN . 15407 1 686 . 1 1 58 58 ASN HA H 1 4.541 0.015 . 1 . . . . 58 ASN HA . 15407 1 687 . 1 1 58 58 ASN HB2 H 1 2.779 0.015 . 2 . . . . 58 ASN HB1 . 15407 1 688 . 1 1 58 58 ASN HB3 H 1 2.548 0.015 . 2 . . . . 58 ASN HB2 . 15407 1 689 . 1 1 58 58 ASN HD21 H 1 7.426 0.015 . 2 . . . . 58 ASN HD21 . 15407 1 690 . 1 1 58 58 ASN HD22 H 1 6.496 0.015 . 2 . . . . 58 ASN HD22 . 15407 1 691 . 1 1 58 58 ASN C C 13 175.452 0.05 . 1 . . . . 58 ASN C . 15407 1 692 . 1 1 58 58 ASN CA C 13 53.372 0.05 . 1 . . . . 58 ASN CA . 15407 1 693 . 1 1 58 58 ASN CB C 13 36.177 0.05 . 1 . . . . 58 ASN CB . 15407 1 694 . 1 1 58 58 ASN N N 15 113.951 0.05 . 1 . . . . 58 ASN N . 15407 1 695 . 1 1 58 58 ASN ND2 N 15 112.800 0.05 . 1 . . . . 58 ASN ND2 . 15407 1 696 . 1 1 59 59 PHE H H 1 7.836 0.015 . 1 . . . . 59 PHE HN . 15407 1 697 . 1 1 59 59 PHE HA H 1 4.749 0.015 . 1 . . . . 59 PHE HA . 15407 1 698 . 1 1 59 59 PHE HB2 H 1 3.815 0.015 . 2 . . . . 59 PHE HB1 . 15407 1 699 . 1 1 59 59 PHE HB3 H 1 3.313 0.015 . 2 . . . . 59 PHE HB2 . 15407 1 700 . 1 1 59 59 PHE HD1 H 1 7.228 0.015 . 1 . . . . 59 PHE HD1 . 15407 1 701 . 1 1 59 59 PHE HD2 H 1 7.228 0.015 . 1 . . . . 59 PHE HD2 . 15407 1 702 . 1 1 59 59 PHE HE1 H 1 7.397 0.015 . 1 . . . . 59 PHE HE1 . 15407 1 703 . 1 1 59 59 PHE HE2 H 1 7.397 0.015 . 1 . . . . 59 PHE HE2 . 15407 1 704 . 1 1 59 59 PHE HZ H 1 7.306 0.015 . 1 . . . . 59 PHE HZ . 15407 1 705 . 1 1 59 59 PHE C C 13 174.170 0.05 . 1 . . . . 59 PHE C . 15407 1 706 . 1 1 59 59 PHE CA C 13 57.853 0.05 . 1 . . . . 59 PHE CA . 15407 1 707 . 1 1 59 59 PHE CB C 13 38.326 0.05 . 1 . . . . 59 PHE CB . 15407 1 708 . 1 1 59 59 PHE CD1 C 13 130.884 0.05 . 3 . . . . 59 PHE CD1 . 15407 1 709 . 1 1 59 59 PHE CD2 C 13 130.884 0.05 . 3 . . . . 59 PHE CD2 . 15407 1 710 . 1 1 59 59 PHE CE1 C 13 131.791 0.05 . 3 . . . . 59 PHE CE1 . 15407 1 711 . 1 1 59 59 PHE CE2 C 13 131.791 0.05 . 3 . . . . 59 PHE CE2 . 15407 1 712 . 1 1 59 59 PHE CZ C 13 130.073 0.05 . 1 . . . . 59 PHE CZ . 15407 1 713 . 1 1 59 59 PHE N N 15 118.432 0.05 . 1 . . . . 59 PHE N . 15407 1 714 . 1 1 60 60 ALA H H 1 7.798 0.015 . 1 . . . . 60 ALA HN . 15407 1 715 . 1 1 60 60 ALA HA H 1 5.165 0.015 . 1 . . . . 60 ALA HA . 15407 1 716 . 1 1 60 60 ALA HB1 H 1 1.150 0.015 . 1 . . . . 60 ALA HB1 . 15407 1 717 . 1 1 60 60 ALA HB2 H 1 1.150 0.015 . 1 . . . . 60 ALA HB1 . 15407 1 718 . 1 1 60 60 ALA HB3 H 1 1.150 0.015 . 1 . . . . 60 ALA HB1 . 15407 1 719 . 1 1 60 60 ALA C C 13 173.497 0.05 . 1 . . . . 60 ALA C . 15407 1 720 . 1 1 60 60 ALA CA C 13 51.025 0.05 . 1 . . . . 60 ALA CA . 15407 1 721 . 1 1 60 60 ALA CB C 13 24.402 0.05 . 1 . . . . 60 ALA CB . 15407 1 722 . 1 1 60 60 ALA N N 15 122.045 0.05 . 1 . . . . 60 ALA N . 15407 1 723 . 1 1 61 61 VAL H H 1 8.499 0.015 . 1 . . . . 61 VAL HN . 15407 1 724 . 1 1 61 61 VAL HA H 1 4.787 0.015 . 1 . . . . 61 VAL HA . 15407 1 725 . 1 1 61 61 VAL HB H 1 2.036 0.015 . 1 . . . . 61 VAL HB . 15407 1 726 . 1 1 61 61 VAL HG11 H 1 1.065 0.015 . 2 . . . . 61 VAL HG11 . 15407 1 727 . 1 1 61 61 VAL HG12 H 1 1.065 0.015 . 2 . . . . 61 VAL HG11 . 15407 1 728 . 1 1 61 61 VAL HG13 H 1 1.065 0.015 . 2 . . . . 61 VAL HG11 . 15407 1 729 . 1 1 61 61 VAL HG21 H 1 0.978 0.015 . 2 . . . . 61 VAL HG21 . 15407 1 730 . 1 1 61 61 VAL HG22 H 1 0.978 0.015 . 2 . . . . 61 VAL HG21 . 15407 1 731 . 1 1 61 61 VAL HG23 H 1 0.978 0.015 . 2 . . . . 61 VAL HG21 . 15407 1 732 . 1 1 61 61 VAL C C 13 174.889 0.05 . 1 . . . . 61 VAL C . 15407 1 733 . 1 1 61 61 VAL CA C 13 59.209 0.05 . 1 . . . . 61 VAL CA . 15407 1 734 . 1 1 61 61 VAL CB C 13 35.437 0.05 . 1 . . . . 61 VAL CB . 15407 1 735 . 1 1 61 61 VAL CG1 C 13 20.626 0.05 . 1 . . . . 61 VAL CG1 . 15407 1 736 . 1 1 61 61 VAL CG2 C 13 20.116 0.05 . 1 . . . . 61 VAL CG2 . 15407 1 737 . 1 1 61 61 VAL N N 15 114.529 0.05 . 1 . . . . 61 VAL N . 15407 1 738 . 1 1 62 62 GLN H H 1 9.361 0.015 . 1 . . . . 62 GLN HN . 15407 1 739 . 1 1 62 62 GLN HA H 1 4.550 0.015 . 1 . . . . 62 GLN HA . 15407 1 740 . 1 1 62 62 GLN HB2 H 1 2.132 0.015 . 2 . . . . 62 GLN HB1 . 15407 1 741 . 1 1 62 62 GLN HB3 H 1 2.050 0.015 . 2 . . . . 62 GLN HB2 . 15407 1 742 . 1 1 62 62 GLN HE21 H 1 7.628 0.015 . 2 . . . . 62 GLN HE21 . 15407 1 743 . 1 1 62 62 GLN HE22 H 1 6.825 0.015 . 2 . . . . 62 GLN HE22 . 15407 1 744 . 1 1 62 62 GLN HG2 H 1 2.493 0.015 . 2 . . . . 62 GLN HG1 . 15407 1 745 . 1 1 62 62 GLN HG3 H 1 2.413 0.015 . 2 . . . . 62 GLN HG2 . 15407 1 746 . 1 1 62 62 GLN C C 13 175.872 0.05 . 1 . . . . 62 GLN C . 15407 1 747 . 1 1 62 62 GLN CA C 13 57.890 0.05 . 1 . . . . 62 GLN CA . 15407 1 748 . 1 1 62 62 GLN CB C 13 29.142 0.05 . 1 . . . . 62 GLN CB . 15407 1 749 . 1 1 62 62 GLN CG C 13 34.414 0.05 . 1 . . . . 62 GLN CG . 15407 1 750 . 1 1 62 62 GLN N N 15 127.971 0.05 . 1 . . . . 62 GLN N . 15407 1 751 . 1 1 62 62 GLN NE2 N 15 110.624 0.05 . 1 . . . . 62 GLN NE2 . 15407 1 752 . 1 1 63 63 ILE H H 1 8.450 0.015 . 1 . . . . 63 ILE HN . 15407 1 753 . 1 1 63 63 ILE HA H 1 4.547 0.015 . 1 . . . . 63 ILE HA . 15407 1 754 . 1 1 63 63 ILE HB H 1 1.968 0.015 . 1 . . . . 63 ILE HB . 15407 1 755 . 1 1 63 63 ILE HD11 H 1 0.876 0.015 . 1 . . . . 63 ILE HD11 . 15407 1 756 . 1 1 63 63 ILE HD12 H 1 0.876 0.015 . 1 . . . . 63 ILE HD11 . 15407 1 757 . 1 1 63 63 ILE HD13 H 1 0.876 0.015 . 1 . . . . 63 ILE HD11 . 15407 1 758 . 1 1 63 63 ILE HG12 H 1 0.879 0.015 . 1 . . . . 63 ILE HG11 . 15407 1 759 . 1 1 63 63 ILE HG13 H 1 1.479 0.015 . 1 . . . . 63 ILE HG12 . 15407 1 760 . 1 1 63 63 ILE HG21 H 1 0.967 0.015 . 1 . . . . 63 ILE HG21 . 15407 1 761 . 1 1 63 63 ILE HG22 H 1 0.967 0.015 . 1 . . . . 63 ILE HG21 . 15407 1 762 . 1 1 63 63 ILE HG23 H 1 0.967 0.015 . 1 . . . . 63 ILE HG21 . 15407 1 763 . 1 1 63 63 ILE C C 13 175.517 0.05 . 1 . . . . 63 ILE C . 15407 1 764 . 1 1 63 63 ILE CA C 13 60.758 0.05 . 1 . . . . 63 ILE CA . 15407 1 765 . 1 1 63 63 ILE CB C 13 40.152 0.05 . 1 . . . . 63 ILE CB . 15407 1 766 . 1 1 63 63 ILE CD1 C 13 14.047 0.05 . 1 . . . . 63 ILE CD1 . 15407 1 767 . 1 1 63 63 ILE CG1 C 13 26.981 0.05 . 1 . . . . 63 ILE CG1 . 15407 1 768 . 1 1 63 63 ILE CG2 C 13 18.147 0.05 . 1 . . . . 63 ILE CG2 . 15407 1 769 . 1 1 63 63 ILE N N 15 122.623 0.05 . 1 . . . . 63 ILE N . 15407 1 770 . 1 1 64 64 SER H H 1 8.479 0.015 . 1 . . . . 64 SER HN . 15407 1 771 . 1 1 64 64 SER HA H 1 4.604 0.015 . 1 . . . . 64 SER HA . 15407 1 772 . 1 1 64 64 SER HB2 H 1 4.038 0.015 . 2 . . . . 64 SER HB1 . 15407 1 773 . 1 1 64 64 SER HB3 H 1 3.951 0.015 . 2 . . . . 64 SER HB2 . 15407 1 774 . 1 1 64 64 SER CA C 13 58.219 0.05 . 1 . . . . 64 SER CA . 15407 1 775 . 1 1 64 64 SER CB C 13 64.004 0.05 . 1 . . . . 64 SER CB . 15407 1 776 . 1 1 64 64 SER N N 15 120.166 0.05 . 1 . . . . 64 SER N . 15407 1 stop_ save_