data_25886 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25886 _Entry.Title ; Solution structure of acyl carrier protein LipD from Actinoplanes friuliensis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-10 _Entry.Accession_date 2015-11-10 _Entry.Last_release_date 2016-11-14 _Entry.Original_release_date 2016-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Subrata Paul . . . . 25886 2 Hiroaki Ishida . . . . 25886 3 Zhihong Liu . . . . 25886 4 Leonard Nguyen . T. . . 25886 5 Hans Vogel . J. . . 25886 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' . 25886 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'acyl carrier protein' . 25886 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25886 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 25886 '15N chemical shifts' 85 25886 '1H chemical shifts' 599 25886 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 . . 2017-10-11 2015-11-10 update BMRB 'update entry citation' 25886 1 . . 2016-11-14 2015-11-10 original author 'original release' 25886 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N98 'BMRB Entry Tracking System' 25886 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25886 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28187530 _Citation.Full_citation . _Citation.Title ; Structural and dynamic characterization of a freestanding acyl carrier protein involved in the biosynthesis of cyclic lipopeptide antibiotics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 26 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 946 _Citation.Page_last 959 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Subrata Paul S. . . . 25886 1 2 Hiroaki Ishida H. . . . 25886 1 3 Leonard Nguyen L. T. . . 25886 1 4 Zhihong Liu Z. . . . 25886 1 5 Hans Vogel H. J. . . 25886 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25886 _Assembly.ID 1 _Assembly.Name 'acyl carrier protein LipD' _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 entity 1 $entity A . yes native no no . . . 25886 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25886 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GHMSDLSTAPTLDSLRVWLV DCVAGHLGLDAATIATDLPL TSYGLDSVYALSIAAELEDH LDVSLDPTLIWDHPTIDALS TALVAELRSA ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9504.713 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25886 1 2 2 HIS . 25886 1 3 3 MET . 25886 1 4 4 SER . 25886 1 5 5 ASP . 25886 1 6 6 LEU . 25886 1 7 7 SER . 25886 1 8 8 THR . 25886 1 9 9 ALA . 25886 1 10 10 PRO . 25886 1 11 11 THR . 25886 1 12 12 LEU . 25886 1 13 13 ASP . 25886 1 14 14 SER . 25886 1 15 15 LEU . 25886 1 16 16 ARG . 25886 1 17 17 VAL . 25886 1 18 18 TRP . 25886 1 19 19 LEU . 25886 1 20 20 VAL . 25886 1 21 21 ASP . 25886 1 22 22 CYS . 25886 1 23 23 VAL . 25886 1 24 24 ALA . 25886 1 25 25 GLY . 25886 1 26 26 HIS . 25886 1 27 27 LEU . 25886 1 28 28 GLY . 25886 1 29 29 LEU . 25886 1 30 30 ASP . 25886 1 31 31 ALA . 25886 1 32 32 ALA . 25886 1 33 33 THR . 25886 1 34 34 ILE . 25886 1 35 35 ALA . 25886 1 36 36 THR . 25886 1 37 37 ASP . 25886 1 38 38 LEU . 25886 1 39 39 PRO . 25886 1 40 40 LEU . 25886 1 41 41 THR . 25886 1 42 42 SER . 25886 1 43 43 TYR . 25886 1 44 44 GLY . 25886 1 45 45 LEU . 25886 1 46 46 ASP . 25886 1 47 47 SER . 25886 1 48 48 VAL . 25886 1 49 49 TYR . 25886 1 50 50 ALA . 25886 1 51 51 LEU . 25886 1 52 52 SER . 25886 1 53 53 ILE . 25886 1 54 54 ALA . 25886 1 55 55 ALA . 25886 1 56 56 GLU . 25886 1 57 57 LEU . 25886 1 58 58 GLU . 25886 1 59 59 ASP . 25886 1 60 60 HIS . 25886 1 61 61 LEU . 25886 1 62 62 ASP . 25886 1 63 63 VAL . 25886 1 64 64 SER . 25886 1 65 65 LEU . 25886 1 66 66 ASP . 25886 1 67 67 PRO . 25886 1 68 68 THR . 25886 1 69 69 LEU . 25886 1 70 70 ILE . 25886 1 71 71 TRP . 25886 1 72 72 ASP . 25886 1 73 73 HIS . 25886 1 74 74 PRO . 25886 1 75 75 THR . 25886 1 76 76 ILE . 25886 1 77 77 ASP . 25886 1 78 78 ALA . 25886 1 79 79 LEU . 25886 1 80 80 SER . 25886 1 81 81 THR . 25886 1 82 82 ALA . 25886 1 83 83 LEU . 25886 1 84 84 VAL . 25886 1 85 85 ALA . 25886 1 86 86 GLU . 25886 1 87 87 LEU . 25886 1 88 88 ARG . 25886 1 89 89 SER . 25886 1 90 90 ALA . 25886 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 25886 1 . HIS 2 2 25886 1 . MET 3 3 25886 1 . SER 4 4 25886 1 . ASP 5 5 25886 1 . LEU 6 6 25886 1 . SER 7 7 25886 1 . THR 8 8 25886 1 . ALA 9 9 25886 1 . PRO 10 10 25886 1 . THR 11 11 25886 1 . LEU 12 12 25886 1 . ASP 13 13 25886 1 . SER 14 14 25886 1 . LEU 15 15 25886 1 . ARG 16 16 25886 1 . VAL 17 17 25886 1 . TRP 18 18 25886 1 . LEU 19 19 25886 1 . VAL 20 20 25886 1 . ASP 21 21 25886 1 . CYS 22 22 25886 1 . VAL 23 23 25886 1 . ALA 24 24 25886 1 . GLY 25 25 25886 1 . HIS 26 26 25886 1 . LEU 27 27 25886 1 . GLY 28 28 25886 1 . LEU 29 29 25886 1 . ASP 30 30 25886 1 . ALA 31 31 25886 1 . ALA 32 32 25886 1 . THR 33 33 25886 1 . ILE 34 34 25886 1 . ALA 35 35 25886 1 . THR 36 36 25886 1 . ASP 37 37 25886 1 . LEU 38 38 25886 1 . PRO 39 39 25886 1 . LEU 40 40 25886 1 . THR 41 41 25886 1 . SER 42 42 25886 1 . TYR 43 43 25886 1 . GLY 44 44 25886 1 . LEU 45 45 25886 1 . ASP 46 46 25886 1 . SER 47 47 25886 1 . VAL 48 48 25886 1 . TYR 49 49 25886 1 . ALA 50 50 25886 1 . LEU 51 51 25886 1 . SER 52 52 25886 1 . ILE 53 53 25886 1 . ALA 54 54 25886 1 . ALA 55 55 25886 1 . GLU 56 56 25886 1 . LEU 57 57 25886 1 . GLU 58 58 25886 1 . ASP 59 59 25886 1 . HIS 60 60 25886 1 . LEU 61 61 25886 1 . ASP 62 62 25886 1 . VAL 63 63 25886 1 . SER 64 64 25886 1 . LEU 65 65 25886 1 . ASP 66 66 25886 1 . PRO 67 67 25886 1 . THR 68 68 25886 1 . LEU 69 69 25886 1 . ILE 70 70 25886 1 . TRP 71 71 25886 1 . ASP 72 72 25886 1 . HIS 73 73 25886 1 . PRO 74 74 25886 1 . THR 75 75 25886 1 . ILE 76 76 25886 1 . ASP 77 77 25886 1 . ALA 78 78 25886 1 . LEU 79 79 25886 1 . SER 80 80 25886 1 . THR 81 81 25886 1 . ALA 82 82 25886 1 . LEU 83 83 25886 1 . VAL 84 84 25886 1 . ALA 85 85 25886 1 . GLU 86 86 25886 1 . LEU 87 87 25886 1 . ARG 88 88 25886 1 . SER 89 89 25886 1 . ALA 90 90 25886 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 25886 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 196914 organism . 'Actinoplanes friuliensis' 'high GC gram+' . . Bacteria . Actinoplanes friuliensis . . . . . . . . . . . . . 25886 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 25886 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET15MHL . . . 25886 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25886 _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 entity [U-15N] . . 1 $entity . . 0.5 . . mM . . . . 25886 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 25886 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25886 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25886 1 5 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25886 1 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25886 1 7 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25886 1 8 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25886 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25886 _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 entity '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 25886 2 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25886 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25886 2 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25886 2 5 D2O [U-2H] . . . . . . 10 . . % . . . . 25886 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25886 2 7 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25886 2 8 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25886 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25886 _Sample.ID 3 _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 entity '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 25886 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25886 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25886 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25886 3 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25886 3 6 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25886 3 7 D2O [U-2H] . . . . . . 100 . . % . . . . 25886 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25886 _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 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 25886 4 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25886 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25886 4 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25886 4 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25886 4 6 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25886 4 7 D2O [U-2H] . . . . . . 100 . . % . . . . 25886 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25886 _Sample.ID 5 _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 entity [U-15N] . . 1 $entity . . 0.5 . . mM . . . . 25886 5 2 D2O [U-2H] . . . . . . 10 . . % . . . . 25886 5 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25886 5 4 'potassium chloride' 'natural abundance' . . . . . . 130 . . mM . . . . 25886 5 5 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25886 5 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25886 5 7 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25886 5 8 PMSF 'natural abundance' . . . . . . 0.03 . . % . . . . 25886 5 9 'Pf1 phage' 'natural abundance' . . . . . . 15 . . mg/mL . . . . 25886 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25886 _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 25886 1 pH 6.0 . pH 25886 1 pressure 1 . atm 25886 1 temperature 297 . K 25886 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25886 _Sample_condition_list.ID 2 _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 25886 2 pH 6.0 . pH 25886 2 pressure 1 . atm 25886 2 temperature 297 . K 25886 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 25886 _Sample_condition_list.ID 3 _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 25886 3 pH 6.4 . pH 25886 3 pressure 1 . atm 25886 3 temperature 297 . K 25886 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 25886 _Sample_condition_list.ID 4 _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 25886 4 pH 6.4 . pH 25886 4 pressure 1 . atm 25886 4 temperature 297 . K 25886 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 25886 _Sample_condition_list.ID 5 _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' 130 . mM 25886 5 pH* 6.0 . pH 25886 5 pressure 1 . atm 25886 5 temperature 297 . K 25886 5 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25886 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25886 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25886 1 'structure solution' 25886 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25886 _Software.ID 2 _Software.Name X-PLOR_NIH _Software.Version 2.19 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25886 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25886 2 'structure solution' 25886 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 25886 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25886 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25886 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25886 _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 . 500 . . . 25886 1 2 spectrometer_2 Bruker Avance . 700 . . . 25886 1 3 spectrometer_3 Bruker Avance . 600 . . . 25886 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 25886 _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 . . . . . . . . . . . . . . . . 25886 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 12 '2D DQF-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 14 IPAP-1H-15N-HSQC no . . . . . . . . . . 5 $sample_5 anisotropic . . 5 $sample_conditions_5 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 1 16 IPAP-1H-15N-HSQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25886 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 25886 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25886 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25886 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25886 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 25886 _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' . . . 25886 1 2 '3D HNCO' . . . 25886 1 3 '3D HNCACB' . . . 25886 1 4 '3D CBCA(CO)NH' . . . 25886 1 5 '3D HN(CA)CO' . . . 25886 1 6 '3D HBHA(CO)NH' . . . 25886 1 7 '3D H(CCO)NH' . . . 25886 1 8 '3D C(CO)NH' . . . 25886 1 11 '2D 1H-1H TOCSY' . . . 25886 1 12 '2D DQF-COSY' . . . 25886 1 15 '2D 1H-13C HSQC aromatic' . . . 25886 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 3 3 MET HA H 1 4.433 . . . . . . A 3 MET HA . 25886 1 2 . 1 1 3 3 MET HB2 H 1 1.984 . . . . . . A 3 MET HB2 . 25886 1 3 . 1 1 3 3 MET HB3 H 1 1.365 . . . . . . A 3 MET HB3 . 25886 1 4 . 1 1 3 3 MET C C 13 176.329 . . . . . . A 3 MET C . 25886 1 5 . 1 1 3 3 MET CA C 13 55.845 . . . . . . A 3 MET CA . 25886 1 6 . 1 1 3 3 MET CB C 13 32.364 . . . . . . A 3 MET CB . 25886 1 7 . 1 1 4 4 SER H H 1 8.371 . . . . . . A 4 SER H . 25886 1 8 . 1 1 4 4 SER HA H 1 4.405 . . . . . . A 4 SER HA . 25886 1 9 . 1 1 4 4 SER HB2 H 1 3.891 . . . . . . A 4 SER HB2 . 25886 1 10 . 1 1 4 4 SER HB3 H 1 3.891 . . . . . . A 4 SER HB3 . 25886 1 11 . 1 1 4 4 SER C C 13 174.319 . . . . . . A 4 SER C . 25886 1 12 . 1 1 4 4 SER CA C 13 58.848 . . . . . . A 4 SER CA . 25886 1 13 . 1 1 4 4 SER CB C 13 63.741 . . . . . . A 4 SER CB . 25886 1 14 . 1 1 4 4 SER N N 15 116.189 . . . . . . A 4 SER N . 25886 1 15 . 1 1 5 5 ASP H H 1 8.350 . . . . . . A 5 ASP H . 25886 1 16 . 1 1 5 5 ASP HA H 1 4.631 . . . . . . A 5 ASP HA . 25886 1 17 . 1 1 5 5 ASP HB2 H 1 2.714 . . . . . . A 5 ASP HB2 . 25886 1 18 . 1 1 5 5 ASP HB3 H 1 2.597 . . . . . . A 5 ASP HB3 . 25886 1 19 . 1 1 5 5 ASP C C 13 176.127 . . . . . . A 5 ASP C . 25886 1 20 . 1 1 5 5 ASP CA C 13 54.410 . . . . . . A 5 ASP CA . 25886 1 21 . 1 1 5 5 ASP CB C 13 41.073 . . . . . . A 5 ASP CB . 25886 1 22 . 1 1 5 5 ASP N N 15 121.631 . . . . . . A 5 ASP N . 25886 1 23 . 1 1 6 6 LEU H H 1 8.136 . . . . . . A 6 LEU H . 25886 1 24 . 1 1 6 6 LEU HA H 1 4.325 . . . . . . A 6 LEU HA . 25886 1 25 . 1 1 6 6 LEU HB2 H 1 1.362 . . . . . . A 6 LEU HB2 . 25886 1 26 . 1 1 6 6 LEU HB3 H 1 1.503 . . . . . . A 6 LEU HB3 . 25886 1 27 . 1 1 6 6 LEU HG H 1 1.625 . . . . . . A 6 LEU HG . 25886 1 28 . 1 1 6 6 LEU HD11 H 1 0.807 . . . . . . A 6 LEU HD11 . 25886 1 29 . 1 1 6 6 LEU HD12 H 1 0.807 . . . . . . A 6 LEU HD12 . 25886 1 30 . 1 1 6 6 LEU HD13 H 1 0.807 . . . . . . A 6 LEU HD13 . 25886 1 31 . 1 1 6 6 LEU HD21 H 1 0.630 . . . . . . A 6 LEU HD21 . 25886 1 32 . 1 1 6 6 LEU HD22 H 1 0.630 . . . . . . A 6 LEU HD22 . 25886 1 33 . 1 1 6 6 LEU HD23 H 1 0.630 . . . . . . A 6 LEU HD23 . 25886 1 34 . 1 1 6 6 LEU C C 13 177.530 . . . . . . A 6 LEU C . 25886 1 35 . 1 1 6 6 LEU CA C 13 55.216 . . . . . . A 6 LEU CA . 25886 1 36 . 1 1 6 6 LEU CB C 13 41.936 . . . . . . A 6 LEU CB . 25886 1 37 . 1 1 6 6 LEU CG C 13 27.060 . . . . . . A 6 LEU CG . 25886 1 38 . 1 1 6 6 LEU CD1 C 13 24.774 . . . . . . A 6 LEU CD1 . 25886 1 39 . 1 1 6 6 LEU CD2 C 13 23.915 . . . . . . A 6 LEU CD2 . 25886 1 40 . 1 1 6 6 LEU N N 15 122.230 . . . . . . A 6 LEU N . 25886 1 41 . 1 1 7 7 SER H H 1 8.407 . . . . . . A 7 SER H . 25886 1 42 . 1 1 7 7 SER HA H 1 4.394 . . . . . . A 7 SER HA . 25886 1 43 . 1 1 7 7 SER HB2 H 1 3.807 . . . . . . A 7 SER HB2 . 25886 1 44 . 1 1 7 7 SER HB3 H 1 3.950 . . . . . . A 7 SER HB3 . 25886 1 45 . 1 1 7 7 SER C C 13 174.615 . . . . . . A 7 SER C . 25886 1 46 . 1 1 7 7 SER CA C 13 58.950 . . . . . . A 7 SER CA . 25886 1 47 . 1 1 7 7 SER CB C 13 63.710 . . . . . . A 7 SER CB . 25886 1 48 . 1 1 7 7 SER N N 15 117.472 . . . . . . A 7 SER N . 25886 1 49 . 1 1 8 8 THR H H 1 7.920 . . . . . . A 8 THR H . 25886 1 50 . 1 1 8 8 THR HA H 1 4.566 . . . . . . A 8 THR HA . 25886 1 51 . 1 1 8 8 THR HB H 1 4.267 . . . . . . A 8 THR HB . 25886 1 52 . 1 1 8 8 THR HG1 H 1 1.123 . . . . . . A 8 THR HG1 . 25886 1 53 . 1 1 8 8 THR HG21 H 1 1.224 . . . . . . A 8 THR HG21 . 25886 1 54 . 1 1 8 8 THR HG22 H 1 1.224 . . . . . . A 8 THR HG22 . 25886 1 55 . 1 1 8 8 THR HG23 H 1 1.224 . . . . . . A 8 THR HG23 . 25886 1 56 . 1 1 8 8 THR C C 13 173.995 . . . . . . A 8 THR C . 25886 1 57 . 1 1 8 8 THR CA C 13 61.772 . . . . . . A 8 THR CA . 25886 1 58 . 1 1 8 8 THR CB C 13 69.595 . . . . . . A 8 THR CB . 25886 1 59 . 1 1 8 8 THR CG2 C 13 22.500 . . . . . . A 8 THR CG2 . 25886 1 60 . 1 1 8 8 THR N N 15 113.875 . . . . . . A 8 THR N . 25886 1 61 . 1 1 9 9 ALA H H 1 8.177 . . . . . . A 9 ALA H . 25886 1 62 . 1 1 9 9 ALA HA H 1 4.537 . . . . . . A 9 ALA HA . 25886 1 63 . 1 1 9 9 ALA HB1 H 1 1.310 . . . . . . A 9 ALA HB1 . 25886 1 64 . 1 1 9 9 ALA HB2 H 1 1.310 . . . . . . A 9 ALA HB2 . 25886 1 65 . 1 1 9 9 ALA HB3 H 1 1.310 . . . . . . A 9 ALA HB3 . 25886 1 66 . 1 1 9 9 ALA C C 13 174.855 . . . . . . A 9 ALA C . 25886 1 67 . 1 1 9 9 ALA CA C 13 50.848 . . . . . . A 9 ALA CA . 25886 1 68 . 1 1 9 9 ALA CB C 13 18.062 . . . . . . A 9 ALA CB . 25886 1 69 . 1 1 9 9 ALA N N 15 126.484 . . . . . . A 9 ALA N . 25886 1 70 . 1 1 10 10 PRO HA H 1 4.538 . . . . . . A 10 PRO HA . 25886 1 71 . 1 1 10 10 PRO HB2 H 1 2.146 . . . . . . A 10 PRO HB2 . 25886 1 72 . 1 1 10 10 PRO HB3 H 1 1.854 . . . . . . A 10 PRO HB3 . 25886 1 73 . 1 1 10 10 PRO HG2 H 1 1.857 . . . . . . A 10 PRO HG2 . 25886 1 74 . 1 1 10 10 PRO HG3 H 1 2.082 . . . . . . A 10 PRO HG3 . 25886 1 75 . 1 1 10 10 PRO HD2 H 1 3.475 . . . . . . A 10 PRO HD2 . 25886 1 76 . 1 1 10 10 PRO HD3 H 1 3.696 . . . . . . A 10 PRO HD3 . 25886 1 77 . 1 1 10 10 PRO C C 13 176.362 . . . . . . A 10 PRO C . 25886 1 78 . 1 1 10 10 PRO CA C 13 62.879 . . . . . . A 10 PRO CA . 25886 1 79 . 1 1 10 10 PRO CB C 13 31.840 . . . . . . A 10 PRO CB . 25886 1 80 . 1 1 10 10 PRO CD C 13 50.139 . . . . . . A 10 PRO CD . 25886 1 81 . 1 1 11 11 THR H H 1 7.945 . . . . . . A 11 THR H . 25886 1 82 . 1 1 11 11 THR HA H 1 4.399 . . . . . . A 11 THR HA . 25886 1 83 . 1 1 11 11 THR HB H 1 4.604 . . . . . . A 11 THR HB . 25886 1 84 . 1 1 11 11 THR HG21 H 1 1.293 . . . . . . A 11 THR HG21 . 25886 1 85 . 1 1 11 11 THR HG22 H 1 1.293 . . . . . . A 11 THR HG22 . 25886 1 86 . 1 1 11 11 THR HG23 H 1 1.293 . . . . . . A 11 THR HG23 . 25886 1 87 . 1 1 11 11 THR C C 13 175.097 . . . . . . A 11 THR C . 25886 1 88 . 1 1 11 11 THR CA C 13 60.273 . . . . . . A 11 THR CA . 25886 1 89 . 1 1 11 11 THR CB C 13 71.369 . . . . . . A 11 THR CB . 25886 1 90 . 1 1 11 11 THR CG2 C 13 22.213 . . . . . . A 11 THR CG2 . 25886 1 91 . 1 1 11 11 THR N N 15 110.399 . . . . . . A 11 THR N . 25886 1 92 . 1 1 12 12 LEU H H 1 8.802 . . . . . . A 12 LEU H . 25886 1 93 . 1 1 12 12 LEU HA H 1 3.922 . . . . . . A 12 LEU HA . 25886 1 94 . 1 1 12 12 LEU HB2 H 1 1.769 . . . . . . A 12 LEU HB2 . 25886 1 95 . 1 1 12 12 LEU HB3 H 1 1.652 . . . . . . A 12 LEU HB3 . 25886 1 96 . 1 1 12 12 LEU HG H 1 1.546 . . . . . . A 12 LEU HG . 25886 1 97 . 1 1 12 12 LEU HD11 H 1 0.929 . . . . . . A 12 LEU HD11 . 25886 1 98 . 1 1 12 12 LEU HD12 H 1 0.929 . . . . . . A 12 LEU HD12 . 25886 1 99 . 1 1 12 12 LEU HD13 H 1 0.929 . . . . . . A 12 LEU HD13 . 25886 1 100 . 1 1 12 12 LEU HD21 H 1 1.014 . . . . . . A 12 LEU HD21 . 25886 1 101 . 1 1 12 12 LEU HD22 H 1 1.014 . . . . . . A 12 LEU HD22 . 25886 1 102 . 1 1 12 12 LEU HD23 H 1 1.014 . . . . . . A 12 LEU HD23 . 25886 1 103 . 1 1 12 12 LEU C C 13 178.399 . . . . . . A 12 LEU C . 25886 1 104 . 1 1 12 12 LEU CA C 13 58.947 . . . . . . A 12 LEU CA . 25886 1 105 . 1 1 12 12 LEU CB C 13 42.006 . . . . . . A 12 LEU CB . 25886 1 106 . 1 1 12 12 LEU CG C 13 27.460 . . . . . . A 12 LEU CG . 25886 1 107 . 1 1 12 12 LEU CD1 C 13 25.270 . . . . . . A 12 LEU CD1 . 25886 1 108 . 1 1 12 12 LEU CD2 C 13 23.644 . . . . . . A 12 LEU CD2 . 25886 1 109 . 1 1 12 12 LEU N N 15 122.488 . . . . . . A 12 LEU N . 25886 1 110 . 1 1 13 13 ASP H H 1 8.316 . . . . . . A 13 ASP H . 25886 1 111 . 1 1 13 13 ASP HA H 1 4.406 . . . . . . A 13 ASP HA . 25886 1 112 . 1 1 13 13 ASP HB2 H 1 2.672 . . . . . . A 13 ASP HB2 . 25886 1 113 . 1 1 13 13 ASP HB3 H 1 2.592 . . . . . . A 13 ASP HB3 . 25886 1 114 . 1 1 13 13 ASP C C 13 178.443 . . . . . . A 13 ASP C . 25886 1 115 . 1 1 13 13 ASP CA C 13 57.507 . . . . . . A 13 ASP CA . 25886 1 116 . 1 1 13 13 ASP CB C 13 40.704 . . . . . . A 13 ASP CB . 25886 1 117 . 1 1 13 13 ASP N N 15 115.249 . . . . . . A 13 ASP N . 25886 1 118 . 1 1 14 14 SER H H 1 7.997 . . . . . . A 14 SER H . 25886 1 119 . 1 1 14 14 SER HA H 1 4.327 . . . . . . A 14 SER HA . 25886 1 120 . 1 1 14 14 SER HB2 H 1 4.037 . . . . . . A 14 SER HB2 . 25886 1 121 . 1 1 14 14 SER HB3 H 1 3.932 . . . . . . A 14 SER HB3 . 25886 1 122 . 1 1 14 14 SER C C 13 177.578 . . . . . . A 14 SER C . 25886 1 123 . 1 1 14 14 SER CA C 13 61.326 . . . . . . A 14 SER CA . 25886 1 124 . 1 1 14 14 SER CB C 13 62.795 . . . . . . A 14 SER CB . 25886 1 125 . 1 1 14 14 SER N N 15 115.362 . . . . . . A 14 SER N . 25886 1 126 . 1 1 15 15 LEU H H 1 8.351 . . . . . . A 15 LEU H . 25886 1 127 . 1 1 15 15 LEU HA H 1 4.354 . . . . . . A 15 LEU HA . 25886 1 128 . 1 1 15 15 LEU HB2 H 1 1.692 . . . . . . A 15 LEU HB2 . 25886 1 129 . 1 1 15 15 LEU HB3 H 1 1.924 . . . . . . A 15 LEU HB3 . 25886 1 130 . 1 1 15 15 LEU HG H 1 1.740 . . . . . . A 15 LEU HG . 25886 1 131 . 1 1 15 15 LEU HD11 H 1 0.947 . . . . . . A 15 LEU HD11 . 25886 1 132 . 1 1 15 15 LEU HD12 H 1 0.947 . . . . . . A 15 LEU HD12 . 25886 1 133 . 1 1 15 15 LEU HD13 H 1 0.947 . . . . . . A 15 LEU HD13 . 25886 1 134 . 1 1 15 15 LEU HD21 H 1 1.029 . . . . . . A 15 LEU HD21 . 25886 1 135 . 1 1 15 15 LEU HD22 H 1 1.029 . . . . . . A 15 LEU HD22 . 25886 1 136 . 1 1 15 15 LEU HD23 H 1 1.029 . . . . . . A 15 LEU HD23 . 25886 1 137 . 1 1 15 15 LEU C C 13 178.061 . . . . . . A 15 LEU C . 25886 1 138 . 1 1 15 15 LEU CA C 13 57.951 . . . . . . A 15 LEU CA . 25886 1 139 . 1 1 15 15 LEU CB C 13 42.171 . . . . . . A 15 LEU CB . 25886 1 140 . 1 1 15 15 LEU CG C 13 27.406 . . . . . . A 15 LEU CG . 25886 1 141 . 1 1 15 15 LEU CD1 C 13 25.621 . . . . . . A 15 LEU CD1 . 25886 1 142 . 1 1 15 15 LEU CD2 C 13 23.883 . . . . . . A 15 LEU CD2 . 25886 1 143 . 1 1 15 15 LEU N N 15 125.243 . . . . . . A 15 LEU N . 25886 1 144 . 1 1 16 16 ARG H H 1 8.492 . . . . . . A 16 ARG H . 25886 1 145 . 1 1 16 16 ARG HA H 1 3.894 . . . . . . A 16 ARG HA . 25886 1 146 . 1 1 16 16 ARG HB2 H 1 2.003 . . . . . . A 16 ARG HB2 . 25886 1 147 . 1 1 16 16 ARG HB3 H 1 2.003 . . . . . . A 16 ARG HB3 . 25886 1 148 . 1 1 16 16 ARG HG2 H 1 1.581 . . . . . . A 16 ARG HG2 . 25886 1 149 . 1 1 16 16 ARG HG3 H 1 1.839 . . . . . . A 16 ARG HG3 . 25886 1 150 . 1 1 16 16 ARG HD2 H 1 3.296 . . . . . . A 16 ARG HD2 . 25886 1 151 . 1 1 16 16 ARG HD3 H 1 3.296 . . . . . . A 16 ARG HD3 . 25886 1 152 . 1 1 16 16 ARG C C 13 177.873 . . . . . . A 16 ARG C . 25886 1 153 . 1 1 16 16 ARG CA C 13 61.062 . . . . . . A 16 ARG CA . 25886 1 154 . 1 1 16 16 ARG CB C 13 30.629 . . . . . . A 16 ARG CB . 25886 1 155 . 1 1 16 16 ARG CG C 13 28.812 . . . . . . A 16 ARG CG . 25886 1 156 . 1 1 16 16 ARG CD C 13 44.280 . . . . . . A 16 ARG CD . 25886 1 157 . 1 1 16 16 ARG N N 15 119.501 . . . . . . A 16 ARG N . 25886 1 158 . 1 1 17 17 VAL H H 1 7.669 . . . . . . A 17 VAL H . 25886 1 159 . 1 1 17 17 VAL HA H 1 3.625 . . . . . . A 17 VAL HA . 25886 1 160 . 1 1 17 17 VAL HB H 1 2.126 . . . . . . A 17 VAL HB . 25886 1 161 . 1 1 17 17 VAL HG11 H 1 1.130 . . . . . . A 17 VAL HG11 . 25886 1 162 . 1 1 17 17 VAL HG12 H 1 1.130 . . . . . . A 17 VAL HG12 . 25886 1 163 . 1 1 17 17 VAL HG13 H 1 1.130 . . . . . . A 17 VAL HG13 . 25886 1 164 . 1 1 17 17 VAL HG21 H 1 0.979 . . . . . . A 17 VAL HG21 . 25886 1 165 . 1 1 17 17 VAL HG22 H 1 0.979 . . . . . . A 17 VAL HG22 . 25886 1 166 . 1 1 17 17 VAL HG23 H 1 0.979 . . . . . . A 17 VAL HG23 . 25886 1 167 . 1 1 17 17 VAL C C 13 177.909 . . . . . . A 17 VAL C . 25886 1 168 . 1 1 17 17 VAL CA C 13 66.311 . . . . . . A 17 VAL CA . 25886 1 169 . 1 1 17 17 VAL CB C 13 32.004 . . . . . . A 17 VAL CB . 25886 1 170 . 1 1 17 17 VAL CG1 C 13 22.990 . . . . . . A 17 VAL CG1 . 25886 1 171 . 1 1 17 17 VAL CG2 C 13 21.331 . . . . . . A 17 VAL CG2 . 25886 1 172 . 1 1 17 17 VAL N N 15 116.369 . . . . . . A 17 VAL N . 25886 1 173 . 1 1 18 18 TRP H H 1 7.897 . . . . . . A 18 TRP H . 25886 1 174 . 1 1 18 18 TRP HA H 1 4.105 . . . . . . A 18 TRP HA . 25886 1 175 . 1 1 18 18 TRP HB2 H 1 3.383 . . . . . . A 18 TRP HB2 . 25886 1 176 . 1 1 18 18 TRP HB3 H 1 3.472 . . . . . . A 18 TRP HB3 . 25886 1 177 . 1 1 18 18 TRP HD1 H 1 7.155 . . . . . . A 18 TRP HD1 . 25886 1 178 . 1 1 18 18 TRP HE1 H 1 10.112 . . . . . . A 18 TRP HE1 . 25886 1 179 . 1 1 18 18 TRP HE3 H 1 7.146 . . . . . . A 18 TRP HE3 . 25886 1 180 . 1 1 18 18 TRP HZ2 H 1 7.214 . . . . . . A 18 TRP HZ2 . 25886 1 181 . 1 1 18 18 TRP HZ3 H 1 6.929 . . . . . . A 18 TRP HZ3 . 25886 1 182 . 1 1 18 18 TRP HH2 H 1 6.806 . . . . . . A 18 TRP HH2 . 25886 1 183 . 1 1 18 18 TRP C C 13 179.322 . . . . . . A 18 TRP C . 25886 1 184 . 1 1 18 18 TRP CA C 13 62.090 . . . . . . A 18 TRP CA . 25886 1 185 . 1 1 18 18 TRP CB C 13 29.281 . . . . . . A 18 TRP CB . 25886 1 186 . 1 1 18 18 TRP CD1 C 13 127.415 . . . . . . A 18 TRP CD1 . 25886 1 187 . 1 1 18 18 TRP CZ2 C 13 114.040 . . . . . . A 18 TRP CZ2 . 25886 1 188 . 1 1 18 18 TRP CZ3 C 13 122.900 . . . . . . A 18 TRP CZ3 . 25886 1 189 . 1 1 18 18 TRP CH2 C 13 121.429 . . . . . . A 18 TRP CH2 . 25886 1 190 . 1 1 18 18 TRP N N 15 120.931 . . . . . . A 18 TRP N . 25886 1 191 . 1 1 18 18 TRP NE1 N 15 128.264 . . . . . . A 18 TRP NE1 . 25886 1 192 . 1 1 19 19 LEU H H 1 9.081 . . . . . . A 19 LEU H . 25886 1 193 . 1 1 19 19 LEU HA H 1 3.792 . . . . . . A 19 LEU HA . 25886 1 194 . 1 1 19 19 LEU HB2 H 1 1.396 . . . . . . A 19 LEU HB2 . 25886 1 195 . 1 1 19 19 LEU HB3 H 1 2.214 . . . . . . A 19 LEU HB3 . 25886 1 196 . 1 1 19 19 LEU HG H 1 2.005 . . . . . . A 19 LEU HG . 25886 1 197 . 1 1 19 19 LEU HD11 H 1 0.933 . . . . . . A 19 LEU HD11 . 25886 1 198 . 1 1 19 19 LEU HD12 H 1 0.933 . . . . . . A 19 LEU HD12 . 25886 1 199 . 1 1 19 19 LEU HD13 H 1 0.933 . . . . . . A 19 LEU HD13 . 25886 1 200 . 1 1 19 19 LEU HD21 H 1 0.955 . . . . . . A 19 LEU HD21 . 25886 1 201 . 1 1 19 19 LEU HD22 H 1 0.955 . . . . . . A 19 LEU HD22 . 25886 1 202 . 1 1 19 19 LEU HD23 H 1 0.955 . . . . . . A 19 LEU HD23 . 25886 1 203 . 1 1 19 19 LEU C C 13 178.608 . . . . . . A 19 LEU C . 25886 1 204 . 1 1 19 19 LEU CA C 13 58.306 . . . . . . A 19 LEU CA . 25886 1 205 . 1 1 19 19 LEU CB C 13 43.542 . . . . . . A 19 LEU CB . 25886 1 206 . 1 1 19 19 LEU CG C 13 28.343 . . . . . . A 19 LEU CG . 25886 1 207 . 1 1 19 19 LEU CD1 C 13 26.240 . . . . . . A 19 LEU CD1 . 25886 1 208 . 1 1 19 19 LEU CD2 C 13 24.389 . . . . . . A 19 LEU CD2 . 25886 1 209 . 1 1 19 19 LEU N N 15 119.716 . . . . . . A 19 LEU N . 25886 1 210 . 1 1 20 20 VAL H H 1 8.352 . . . . . . A 20 VAL H . 25886 1 211 . 1 1 20 20 VAL HA H 1 3.255 . . . . . . A 20 VAL HA . 25886 1 212 . 1 1 20 20 VAL HB H 1 2.180 . . . . . . A 20 VAL HB . 25886 1 213 . 1 1 20 20 VAL HG11 H 1 0.907 . . . . . . A 20 VAL HG11 . 25886 1 214 . 1 1 20 20 VAL HG12 H 1 0.907 . . . . . . A 20 VAL HG12 . 25886 1 215 . 1 1 20 20 VAL HG13 H 1 0.907 . . . . . . A 20 VAL HG13 . 25886 1 216 . 1 1 20 20 VAL HG21 H 1 1.031 . . . . . . A 20 VAL HG21 . 25886 1 217 . 1 1 20 20 VAL HG22 H 1 1.031 . . . . . . A 20 VAL HG22 . 25886 1 218 . 1 1 20 20 VAL HG23 H 1 1.031 . . . . . . A 20 VAL HG23 . 25886 1 219 . 1 1 20 20 VAL C C 13 177.019 . . . . . . A 20 VAL C . 25886 1 220 . 1 1 20 20 VAL CA C 13 67.717 . . . . . . A 20 VAL CA . 25886 1 221 . 1 1 20 20 VAL CB C 13 31.267 . . . . . . A 20 VAL CB . 25886 1 222 . 1 1 20 20 VAL CG1 C 13 22.481 . . . . . . A 20 VAL CG1 . 25886 1 223 . 1 1 20 20 VAL CG2 C 13 24.390 . . . . . . A 20 VAL CG2 . 25886 1 224 . 1 1 20 20 VAL N N 15 120.030 . . . . . . A 20 VAL N . 25886 1 225 . 1 1 21 21 ASP H H 1 7.483 . . . . . . A 21 ASP H . 25886 1 226 . 1 1 21 21 ASP HA H 1 4.194 . . . . . . A 21 ASP HA . 25886 1 227 . 1 1 21 21 ASP HB2 H 1 2.541 . . . . . . A 21 ASP HB2 . 25886 1 228 . 1 1 21 21 ASP HB3 H 1 2.398 . . . . . . A 21 ASP HB3 . 25886 1 229 . 1 1 21 21 ASP C C 13 179.001 . . . . . . A 21 ASP C . 25886 1 230 . 1 1 21 21 ASP CA C 13 57.423 . . . . . . A 21 ASP CA . 25886 1 231 . 1 1 21 21 ASP CB C 13 40.153 . . . . . . A 21 ASP CB . 25886 1 232 . 1 1 21 21 ASP N N 15 118.576 . . . . . . A 21 ASP N . 25886 1 233 . 1 1 22 22 CYS H H 1 8.203 . . . . . . A 22 CYS H . 25886 1 234 . 1 1 22 22 CYS HA H 1 3.764 . . . . . . A 22 CYS HA . 25886 1 235 . 1 1 22 22 CYS HB2 H 1 1.817 . . . . . . A 22 CYS HB2 . 25886 1 236 . 1 1 22 22 CYS HB3 H 1 2.394 . . . . . . A 22 CYS HB3 . 25886 1 237 . 1 1 22 22 CYS C C 13 178.089 . . . . . . A 22 CYS C . 25886 1 238 . 1 1 22 22 CYS CA C 13 61.882 . . . . . . A 22 CYS CA . 25886 1 239 . 1 1 22 22 CYS CB C 13 26.883 . . . . . . A 22 CYS CB . 25886 1 240 . 1 1 22 22 CYS N N 15 121.824 . . . . . . A 22 CYS N . 25886 1 241 . 1 1 23 23 VAL H H 1 8.716 . . . . . . A 23 VAL H . 25886 1 242 . 1 1 23 23 VAL HA H 1 3.355 . . . . . . A 23 VAL HA . 25886 1 243 . 1 1 23 23 VAL HB H 1 2.057 . . . . . . A 23 VAL HB . 25886 1 244 . 1 1 23 23 VAL HG11 H 1 0.978 . . . . . . A 23 VAL HG11 . 25886 1 245 . 1 1 23 23 VAL HG12 H 1 0.978 . . . . . . A 23 VAL HG12 . 25886 1 246 . 1 1 23 23 VAL HG13 H 1 0.978 . . . . . . A 23 VAL HG13 . 25886 1 247 . 1 1 23 23 VAL HG21 H 1 0.795 . . . . . . A 23 VAL HG21 . 25886 1 248 . 1 1 23 23 VAL HG22 H 1 0.795 . . . . . . A 23 VAL HG22 . 25886 1 249 . 1 1 23 23 VAL HG23 H 1 0.795 . . . . . . A 23 VAL HG23 . 25886 1 250 . 1 1 23 23 VAL C C 13 177.280 . . . . . . A 23 VAL C . 25886 1 251 . 1 1 23 23 VAL CA C 13 67.315 . . . . . . A 23 VAL CA . 25886 1 252 . 1 1 23 23 VAL CB C 13 31.574 . . . . . . A 23 VAL CB . 25886 1 253 . 1 1 23 23 VAL CG1 C 13 23.440 . . . . . . A 23 VAL CG1 . 25886 1 254 . 1 1 23 23 VAL CG2 C 13 21.880 . . . . . . A 23 VAL CG2 . 25886 1 255 . 1 1 23 23 VAL N N 15 120.075 . . . . . . A 23 VAL N . 25886 1 256 . 1 1 24 24 ALA H H 1 8.720 . . . . . . A 24 ALA H . 25886 1 257 . 1 1 24 24 ALA HA H 1 3.617 . . . . . . A 24 ALA HA . 25886 1 258 . 1 1 24 24 ALA HB1 H 1 1.397 . . . . . . A 24 ALA HB1 . 25886 1 259 . 1 1 24 24 ALA HB2 H 1 1.397 . . . . . . A 24 ALA HB2 . 25886 1 260 . 1 1 24 24 ALA HB3 H 1 1.397 . . . . . . A 24 ALA HB3 . 25886 1 261 . 1 1 24 24 ALA C C 13 180.241 . . . . . . A 24 ALA C . 25886 1 262 . 1 1 24 24 ALA CA C 13 56.165 . . . . . . A 24 ALA CA . 25886 1 263 . 1 1 24 24 ALA CB C 13 17.269 . . . . . . A 24 ALA CB . 25886 1 264 . 1 1 24 24 ALA N N 15 121.336 . . . . . . A 24 ALA N . 25886 1 265 . 1 1 25 25 GLY H H 1 7.999 . . . . . . A 25 GLY H . 25886 1 266 . 1 1 25 25 GLY HA2 H 1 3.849 . . . . . . A 25 GLY HA2 . 25886 1 267 . 1 1 25 25 GLY HA3 H 1 3.849 . . . . . . A 25 GLY HA3 . 25886 1 268 . 1 1 25 25 GLY C C 13 176.751 . . . . . . A 25 GLY C . 25886 1 269 . 1 1 25 25 GLY CA C 13 46.725 . . . . . . A 25 GLY CA . 25886 1 270 . 1 1 25 25 GLY N N 15 103.304 . . . . . . A 25 GLY N . 25886 1 271 . 1 1 26 26 HIS H H 1 7.777 . . . . . . A 26 HIS H . 25886 1 272 . 1 1 26 26 HIS HA H 1 4.320 . . . . . . A 26 HIS HA . 25886 1 273 . 1 1 26 26 HIS HB2 H 1 3.030 . . . . . . A 26 HIS HB2 . 25886 1 274 . 1 1 26 26 HIS HB3 H 1 2.954 . . . . . . A 26 HIS HB3 . 25886 1 275 . 1 1 26 26 HIS HD2 H 1 7.213 . . . . . . A 26 HIS HD2 . 25886 1 276 . 1 1 26 26 HIS HE1 H 1 8.421 . . . . . . A 26 HIS HE1 . 25886 1 277 . 1 1 26 26 HIS C C 13 176.194 . . . . . . A 26 HIS C . 25886 1 278 . 1 1 26 26 HIS CA C 13 59.195 . . . . . . A 26 HIS CA . 25886 1 279 . 1 1 26 26 HIS CB C 13 29.148 . . . . . . A 26 HIS CB . 25886 1 280 . 1 1 26 26 HIS CD2 C 13 119.996 . . . . . . A 26 HIS CD2 . 25886 1 281 . 1 1 26 26 HIS CE1 C 13 137.559 . . . . . . A 26 HIS CE1 . 25886 1 282 . 1 1 26 26 HIS N N 15 118.391 . . . . . . A 26 HIS N . 25886 1 283 . 1 1 27 27 LEU H H 1 7.955 . . . . . . A 27 LEU H . 25886 1 284 . 1 1 27 27 LEU HA H 1 4.050 . . . . . . A 27 LEU HA . 25886 1 285 . 1 1 27 27 LEU HB2 H 1 1.367 . . . . . . A 27 LEU HB2 . 25886 1 286 . 1 1 27 27 LEU HB3 H 1 1.493 . . . . . . A 27 LEU HB3 . 25886 1 287 . 1 1 27 27 LEU HG H 1 1.526 . . . . . . A 27 LEU HG . 25886 1 288 . 1 1 27 27 LEU HD11 H 1 0.614 . . . . . . A 27 LEU HD11 . 25886 1 289 . 1 1 27 27 LEU HD12 H 1 0.614 . . . . . . A 27 LEU HD12 . 25886 1 290 . 1 1 27 27 LEU HD13 H 1 0.614 . . . . . . A 27 LEU HD13 . 25886 1 291 . 1 1 27 27 LEU HD21 H 1 0.466 . . . . . . A 27 LEU HD21 . 25886 1 292 . 1 1 27 27 LEU HD22 H 1 0.466 . . . . . . A 27 LEU HD22 . 25886 1 293 . 1 1 27 27 LEU HD23 H 1 0.466 . . . . . . A 27 LEU HD23 . 25886 1 294 . 1 1 27 27 LEU C C 13 176.896 . . . . . . A 27 LEU C . 25886 1 295 . 1 1 27 27 LEU CA C 13 54.956 . . . . . . A 27 LEU CA . 25886 1 296 . 1 1 27 27 LEU CB C 13 42.363 . . . . . . A 27 LEU CB . 25886 1 297 . 1 1 27 27 LEU CG C 13 27.331 . . . . . . A 27 LEU CG . 25886 1 298 . 1 1 27 27 LEU CD1 C 13 26.316 . . . . . . A 27 LEU CD1 . 25886 1 299 . 1 1 27 27 LEU CD2 C 13 22.662 . . . . . . A 27 LEU CD2 . 25886 1 300 . 1 1 27 27 LEU N N 15 115.175 . . . . . . A 27 LEU N . 25886 1 301 . 1 1 28 28 GLY H H 1 7.768 . . . . . . A 28 GLY H . 25886 1 302 . 1 1 28 28 GLY HA2 H 1 3.915 . . . . . . A 28 GLY HA2 . 25886 1 303 . 1 1 28 28 GLY HA3 H 1 3.915 . . . . . . A 28 GLY HA3 . 25886 1 304 . 1 1 28 28 GLY C C 13 174.510 . . . . . . A 28 GLY C . 25886 1 305 . 1 1 28 28 GLY CA C 13 46.760 . . . . . . A 28 GLY CA . 25886 1 306 . 1 1 28 28 GLY N N 15 109.489 . . . . . . A 28 GLY N . 25886 1 307 . 1 1 29 29 LEU H H 1 7.883 . . . . . . A 29 LEU H . 25886 1 308 . 1 1 29 29 LEU HA H 1 4.595 . . . . . . A 29 LEU HA . 25886 1 309 . 1 1 29 29 LEU HB2 H 1 1.168 . . . . . . A 29 LEU HB2 . 25886 1 310 . 1 1 29 29 LEU HB3 H 1 1.353 . . . . . . A 29 LEU HB3 . 25886 1 311 . 1 1 29 29 LEU HG H 1 1.397 . . . . . . A 29 LEU HG . 25886 1 312 . 1 1 29 29 LEU HD11 H 1 0.834 . . . . . . A 29 LEU HD11 . 25886 1 313 . 1 1 29 29 LEU HD12 H 1 0.834 . . . . . . A 29 LEU HD12 . 25886 1 314 . 1 1 29 29 LEU HD13 H 1 0.834 . . . . . . A 29 LEU HD13 . 25886 1 315 . 1 1 29 29 LEU HD21 H 1 0.746 . . . . . . A 29 LEU HD21 . 25886 1 316 . 1 1 29 29 LEU HD22 H 1 0.746 . . . . . . A 29 LEU HD22 . 25886 1 317 . 1 1 29 29 LEU HD23 H 1 0.746 . . . . . . A 29 LEU HD23 . 25886 1 318 . 1 1 29 29 LEU C C 13 175.604 . . . . . . A 29 LEU C . 25886 1 319 . 1 1 29 29 LEU CA C 13 52.510 . . . . . . A 29 LEU CA . 25886 1 320 . 1 1 29 29 LEU CB C 13 45.600 . . . . . . A 29 LEU CB . 25886 1 321 . 1 1 29 29 LEU CG C 13 26.434 . . . . . . A 29 LEU CG . 25886 1 322 . 1 1 29 29 LEU CD1 C 13 22.715 . . . . . . A 29 LEU CD1 . 25886 1 323 . 1 1 29 29 LEU CD2 C 13 25.402 . . . . . . A 29 LEU CD2 . 25886 1 324 . 1 1 29 29 LEU N N 15 118.747 . . . . . . A 29 LEU N . 25886 1 325 . 1 1 30 30 ASP H H 1 8.339 . . . . . . A 30 ASP H . 25886 1 326 . 1 1 30 30 ASP HA H 1 4.483 . . . . . . A 30 ASP HA . 25886 1 327 . 1 1 30 30 ASP HB2 H 1 2.691 . . . . . . A 30 ASP HB2 . 25886 1 328 . 1 1 30 30 ASP HB3 H 1 2.759 . . . . . . A 30 ASP HB3 . 25886 1 329 . 1 1 30 30 ASP C C 13 178.020 . . . . . . A 30 ASP C . 25886 1 330 . 1 1 30 30 ASP CA C 13 53.754 . . . . . . A 30 ASP CA . 25886 1 331 . 1 1 30 30 ASP CB C 13 41.508 . . . . . . A 30 ASP CB . 25886 1 332 . 1 1 30 30 ASP N N 15 119.300 . . . . . . A 30 ASP N . 25886 1 333 . 1 1 31 31 ALA H H 1 9.073 . . . . . . A 31 ALA H . 25886 1 334 . 1 1 31 31 ALA HA H 1 3.628 . . . . . . A 31 ALA HA . 25886 1 335 . 1 1 31 31 ALA HB1 H 1 1.347 . . . . . . A 31 ALA HB1 . 25886 1 336 . 1 1 31 31 ALA HB2 H 1 1.347 . . . . . . A 31 ALA HB2 . 25886 1 337 . 1 1 31 31 ALA HB3 H 1 1.347 . . . . . . A 31 ALA HB3 . 25886 1 338 . 1 1 31 31 ALA C C 13 178.446 . . . . . . A 31 ALA C . 25886 1 339 . 1 1 31 31 ALA CA C 13 55.454 . . . . . . A 31 ALA CA . 25886 1 340 . 1 1 31 31 ALA CB C 13 18.717 . . . . . . A 31 ALA CB . 25886 1 341 . 1 1 31 31 ALA N N 15 131.513 . . . . . . A 31 ALA N . 25886 1 342 . 1 1 32 32 ALA H H 1 8.371 . . . . . . A 32 ALA H . 25886 1 343 . 1 1 32 32 ALA HA H 1 4.124 . . . . . . A 32 ALA HA . 25886 1 344 . 1 1 32 32 ALA HB1 H 1 1.395 . . . . . . A 32 ALA HB1 . 25886 1 345 . 1 1 32 32 ALA HB2 H 1 1.395 . . . . . . A 32 ALA HB2 . 25886 1 346 . 1 1 32 32 ALA HB3 H 1 1.395 . . . . . . A 32 ALA HB3 . 25886 1 347 . 1 1 32 32 ALA C C 13 178.812 . . . . . . A 32 ALA C . 25886 1 348 . 1 1 32 32 ALA CA C 13 53.841 . . . . . . A 32 ALA CA . 25886 1 349 . 1 1 32 32 ALA CB C 13 18.597 . . . . . . A 32 ALA CB . 25886 1 350 . 1 1 32 32 ALA N N 15 117.027 . . . . . . A 32 ALA N . 25886 1 351 . 1 1 33 33 THR H H 1 7.870 . . . . . . A 33 THR H . 25886 1 352 . 1 1 33 33 THR HA H 1 4.314 . . . . . . A 33 THR HA . 25886 1 353 . 1 1 33 33 THR HB H 1 4.410 . . . . . . A 33 THR HB . 25886 1 354 . 1 1 33 33 THR HG21 H 1 1.246 . . . . . . A 33 THR HG21 . 25886 1 355 . 1 1 33 33 THR HG22 H 1 1.246 . . . . . . A 33 THR HG22 . 25886 1 356 . 1 1 33 33 THR HG23 H 1 1.246 . . . . . . A 33 THR HG23 . 25886 1 357 . 1 1 33 33 THR C C 13 174.256 . . . . . . A 33 THR C . 25886 1 358 . 1 1 33 33 THR CA C 13 61.934 . . . . . . A 33 THR CA . 25886 1 359 . 1 1 33 33 THR CB C 13 69.812 . . . . . . A 33 THR CB . 25886 1 360 . 1 1 33 33 THR CG2 C 13 21.779 . . . . . . A 33 THR CG2 . 25886 1 361 . 1 1 33 33 THR N N 15 107.351 . . . . . . A 33 THR N . 25886 1 362 . 1 1 34 34 ILE H H 1 7.006 . . . . . . A 34 ILE H . 25886 1 363 . 1 1 34 34 ILE HA H 1 3.641 . . . . . . A 34 ILE HA . 25886 1 364 . 1 1 34 34 ILE HB H 1 1.822 . . . . . . A 34 ILE HB . 25886 1 365 . 1 1 34 34 ILE HG12 H 1 0.718 . . . . . . A 34 ILE HG12 . 25886 1 366 . 1 1 34 34 ILE HG13 H 1 1.159 . . . . . . A 34 ILE HG13 . 25886 1 367 . 1 1 34 34 ILE HG21 H 1 0.449 . . . . . . A 34 ILE HG21 . 25886 1 368 . 1 1 34 34 ILE HG22 H 1 0.449 . . . . . . A 34 ILE HG22 . 25886 1 369 . 1 1 34 34 ILE HG23 H 1 0.449 . . . . . . A 34 ILE HG23 . 25886 1 370 . 1 1 34 34 ILE HD11 H 1 0.287 . . . . . . A 34 ILE HD11 . 25886 1 371 . 1 1 34 34 ILE HD12 H 1 0.287 . . . . . . A 34 ILE HD12 . 25886 1 372 . 1 1 34 34 ILE HD13 H 1 0.287 . . . . . . A 34 ILE HD13 . 25886 1 373 . 1 1 34 34 ILE C C 13 174.236 . . . . . . A 34 ILE C . 25886 1 374 . 1 1 34 34 ILE CA C 13 60.686 . . . . . . A 34 ILE CA . 25886 1 375 . 1 1 34 34 ILE CB C 13 36.987 . . . . . . A 34 ILE CB . 25886 1 376 . 1 1 34 34 ILE CG1 C 13 27.365 . . . . . . A 34 ILE CG1 . 25886 1 377 . 1 1 34 34 ILE CG2 C 13 16.900 . . . . . . A 34 ILE CG2 . 25886 1 378 . 1 1 34 34 ILE CD1 C 13 12.035 . . . . . . A 34 ILE CD1 . 25886 1 379 . 1 1 34 34 ILE N N 15 122.110 . . . . . . A 34 ILE N . 25886 1 380 . 1 1 35 35 ALA H H 1 8.445 . . . . . . A 35 ALA H . 25886 1 381 . 1 1 35 35 ALA HA H 1 4.763 . . . . . . A 35 ALA HA . 25886 1 382 . 1 1 35 35 ALA HB1 H 1 1.634 . . . . . . A 35 ALA HB1 . 25886 1 383 . 1 1 35 35 ALA HB2 H 1 1.634 . . . . . . A 35 ALA HB2 . 25886 1 384 . 1 1 35 35 ALA HB3 H 1 1.634 . . . . . . A 35 ALA HB3 . 25886 1 385 . 1 1 35 35 ALA C C 13 179.475 . . . . . . A 35 ALA C . 25886 1 386 . 1 1 35 35 ALA CA C 13 50.806 . . . . . . A 35 ALA CA . 25886 1 387 . 1 1 35 35 ALA CB C 13 20.294 . . . . . . A 35 ALA CB . 25886 1 388 . 1 1 35 35 ALA N N 15 131.062 . . . . . . A 35 ALA N . 25886 1 389 . 1 1 36 36 THR H H 1 9.005 . . . . . . A 36 THR H . 25886 1 390 . 1 1 36 36 THR HA H 1 4.124 . . . . . . A 36 THR HA . 25886 1 391 . 1 1 36 36 THR HB H 1 4.420 . . . . . . A 36 THR HB . 25886 1 392 . 1 1 36 36 THR HG21 H 1 1.133 . . . . . . A 36 THR HG21 . 25886 1 393 . 1 1 36 36 THR HG22 H 1 1.133 . . . . . . A 36 THR HG22 . 25886 1 394 . 1 1 36 36 THR HG23 H 1 1.133 . . . . . . A 36 THR HG23 . 25886 1 395 . 1 1 36 36 THR C C 13 173.072 . . . . . . A 36 THR C . 25886 1 396 . 1 1 36 36 THR CA C 13 64.129 . . . . . . A 36 THR CA . 25886 1 397 . 1 1 36 36 THR CB C 13 67.363 . . . . . . A 36 THR CB . 25886 1 398 . 1 1 36 36 THR CG2 C 13 22.007 . . . . . . A 36 THR CG2 . 25886 1 399 . 1 1 36 36 THR N N 15 112.131 . . . . . . A 36 THR N . 25886 1 400 . 1 1 37 37 ASP H H 1 8.599 . . . . . . A 37 ASP H . 25886 1 401 . 1 1 37 37 ASP HA H 1 4.752 . . . . . . A 37 ASP HA . 25886 1 402 . 1 1 37 37 ASP HB2 H 1 2.600 . . . . . . A 37 ASP HB2 . 25886 1 403 . 1 1 37 37 ASP HB3 H 1 3.028 . . . . . . A 37 ASP HB3 . 25886 1 404 . 1 1 37 37 ASP C C 13 175.440 . . . . . . A 37 ASP C . 25886 1 405 . 1 1 37 37 ASP CA C 13 52.265 . . . . . . A 37 ASP CA . 25886 1 406 . 1 1 37 37 ASP CB C 13 40.676 . . . . . . A 37 ASP CB . 25886 1 407 . 1 1 37 37 ASP N N 15 116.976 . . . . . . A 37 ASP N . 25886 1 408 . 1 1 38 38 LEU H H 1 6.888 . . . . . . A 38 LEU H . 25886 1 409 . 1 1 38 38 LEU HA H 1 4.966 . . . . . . A 38 LEU HA . 25886 1 410 . 1 1 38 38 LEU HB2 H 1 1.655 . . . . . . A 38 LEU HB2 . 25886 1 411 . 1 1 38 38 LEU HB3 H 1 1.484 . . . . . . A 38 LEU HB3 . 25886 1 412 . 1 1 38 38 LEU HG H 1 1.650 . . . . . . A 38 LEU HG . 25886 1 413 . 1 1 38 38 LEU HD11 H 1 0.798 . . . . . . A 38 LEU HD11 . 25886 1 414 . 1 1 38 38 LEU HD12 H 1 0.798 . . . . . . A 38 LEU HD12 . 25886 1 415 . 1 1 38 38 LEU HD13 H 1 0.798 . . . . . . A 38 LEU HD13 . 25886 1 416 . 1 1 38 38 LEU HD21 H 1 0.844 . . . . . . A 38 LEU HD21 . 25886 1 417 . 1 1 38 38 LEU HD22 H 1 0.844 . . . . . . A 38 LEU HD22 . 25886 1 418 . 1 1 38 38 LEU HD23 H 1 0.844 . . . . . . A 38 LEU HD23 . 25886 1 419 . 1 1 38 38 LEU C C 13 174.342 . . . . . . A 38 LEU C . 25886 1 420 . 1 1 38 38 LEU CA C 13 51.765 . . . . . . A 38 LEU CA . 25886 1 421 . 1 1 38 38 LEU CB C 13 43.470 . . . . . . A 38 LEU CB . 25886 1 422 . 1 1 38 38 LEU CG C 13 26.821 . . . . . . A 38 LEU CG . 25886 1 423 . 1 1 38 38 LEU CD1 C 13 23.571 . . . . . . A 38 LEU CD1 . 25886 1 424 . 1 1 38 38 LEU CD2 C 13 23.571 . . . . . . A 38 LEU CD2 . 25886 1 425 . 1 1 38 38 LEU N N 15 120.576 . . . . . . A 38 LEU N . 25886 1 426 . 1 1 39 39 PRO HA H 1 4.326 . . . . . . A 39 PRO HA . 25886 1 427 . 1 1 39 39 PRO HB2 H 1 2.317 . . . . . . A 39 PRO HB2 . 25886 1 428 . 1 1 39 39 PRO HB3 H 1 2.116 . . . . . . A 39 PRO HB3 . 25886 1 429 . 1 1 39 39 PRO C C 13 179.463 . . . . . . A 39 PRO C . 25886 1 430 . 1 1 39 39 PRO CA C 13 62.686 . . . . . . A 39 PRO CA . 25886 1 431 . 1 1 39 39 PRO CB C 13 32.013 . . . . . . A 39 PRO CB . 25886 1 432 . 1 1 40 40 LEU H H 1 9.138 . . . . . . A 40 LEU H . 25886 1 433 . 1 1 40 40 LEU HA H 1 4.293 . . . . . . A 40 LEU HA . 25886 1 434 . 1 1 40 40 LEU HB2 H 1 1.454 . . . . . . A 40 LEU HB2 . 25886 1 435 . 1 1 40 40 LEU HB3 H 1 1.839 . . . . . . A 40 LEU HB3 . 25886 1 436 . 1 1 40 40 LEU HG H 1 2.087 . . . . . . A 40 LEU HG . 25886 1 437 . 1 1 40 40 LEU HD11 H 1 0.791 . . . . . . A 40 LEU HD11 . 25886 1 438 . 1 1 40 40 LEU HD12 H 1 0.791 . . . . . . A 40 LEU HD12 . 25886 1 439 . 1 1 40 40 LEU HD13 H 1 0.791 . . . . . . A 40 LEU HD13 . 25886 1 440 . 1 1 40 40 LEU HD21 H 1 1.059 . . . . . . A 40 LEU HD21 . 25886 1 441 . 1 1 40 40 LEU HD22 H 1 1.059 . . . . . . A 40 LEU HD22 . 25886 1 442 . 1 1 40 40 LEU HD23 H 1 1.059 . . . . . . A 40 LEU HD23 . 25886 1 443 . 1 1 40 40 LEU C C 13 179.437 . . . . . . A 40 LEU C . 25886 1 444 . 1 1 40 40 LEU CA C 13 57.933 . . . . . . A 40 LEU CA . 25886 1 445 . 1 1 40 40 LEU CB C 13 42.555 . . . . . . A 40 LEU CB . 25886 1 446 . 1 1 40 40 LEU CG C 13 27.461 . . . . . . A 40 LEU CG . 25886 1 447 . 1 1 40 40 LEU CD1 C 13 25.316 . . . . . . A 40 LEU CD1 . 25886 1 448 . 1 1 40 40 LEU CD2 C 13 23.873 . . . . . . A 40 LEU CD2 . 25886 1 449 . 1 1 40 40 LEU N N 15 124.956 . . . . . . A 40 LEU N . 25886 1 450 . 1 1 41 41 THR H H 1 8.111 . . . . . . A 41 THR H . 25886 1 451 . 1 1 41 41 THR HA H 1 4.291 . . . . . . A 41 THR HA . 25886 1 452 . 1 1 41 41 THR HB H 1 4.406 . . . . . . A 41 THR HB . 25886 1 453 . 1 1 41 41 THR HG21 H 1 1.467 . . . . . . A 41 THR HG21 . 25886 1 454 . 1 1 41 41 THR HG22 H 1 1.467 . . . . . . A 41 THR HG22 . 25886 1 455 . 1 1 41 41 THR HG23 H 1 1.467 . . . . . . A 41 THR HG23 . 25886 1 456 . 1 1 41 41 THR C C 13 178.361 . . . . . . A 41 THR C . 25886 1 457 . 1 1 41 41 THR CA C 13 64.361 . . . . . . A 41 THR CA . 25886 1 458 . 1 1 41 41 THR CB C 13 68.141 . . . . . . A 41 THR CB . 25886 1 459 . 1 1 41 41 THR CG2 C 13 22.701 . . . . . . A 41 THR CG2 . 25886 1 460 . 1 1 41 41 THR N N 15 110.392 . . . . . . A 41 THR N . 25886 1 461 . 1 1 42 42 SER H H 1 8.185 . . . . . . A 42 SER H . 25886 1 462 . 1 1 42 42 SER HA H 1 4.271 . . . . . . A 42 SER HA . 25886 1 463 . 1 1 42 42 SER HB2 H 1 3.710 . . . . . . A 42 SER HB2 . 25886 1 464 . 1 1 42 42 SER HB3 H 1 3.675 . . . . . . A 42 SER HB3 . 25886 1 465 . 1 1 42 42 SER C C 13 174.329 . . . . . . A 42 SER C . 25886 1 466 . 1 1 42 42 SER CA C 13 61.374 . . . . . . A 42 SER CA . 25886 1 467 . 1 1 42 42 SER CB C 13 62.709 . . . . . . A 42 SER CB . 25886 1 468 . 1 1 42 42 SER N N 15 119.740 . . . . . . A 42 SER N . 25886 1 469 . 1 1 43 43 TYR H H 1 7.306 . . . . . . A 43 TYR H . 25886 1 470 . 1 1 43 43 TYR HA H 1 4.684 . . . . . . A 43 TYR HA . 25886 1 471 . 1 1 43 43 TYR HB2 H 1 2.561 . . . . . . A 43 TYR HB2 . 25886 1 472 . 1 1 43 43 TYR HB3 H 1 3.399 . . . . . . A 43 TYR HB3 . 25886 1 473 . 1 1 43 43 TYR HD1 H 1 7.071 . . . . . . A 43 TYR HD1 . 25886 1 474 . 1 1 43 43 TYR HE1 H 1 6.843 . . . . . . A 43 TYR HE1 . 25886 1 475 . 1 1 43 43 TYR C C 13 175.130 . . . . . . A 43 TYR C . 25886 1 476 . 1 1 43 43 TYR CA C 13 57.491 . . . . . . A 43 TYR CA . 25886 1 477 . 1 1 43 43 TYR CB C 13 39.154 . . . . . . A 43 TYR CB . 25886 1 478 . 1 1 43 43 TYR CD1 C 13 132.413 . . . . . . A 43 TYR CD1 . 25886 1 479 . 1 1 43 43 TYR CE1 C 13 118.501 . . . . . . A 43 TYR CE1 . 25886 1 480 . 1 1 43 43 TYR N N 15 118.040 . . . . . . A 43 TYR N . 25886 1 481 . 1 1 44 44 GLY H H 1 7.581 . . . . . . A 44 GLY H . 25886 1 482 . 1 1 44 44 GLY HA2 H 1 3.789 . . . . . . A 44 GLY HA2 . 25886 1 483 . 1 1 44 44 GLY HA3 H 1 4.399 . . . . . . A 44 GLY HA3 . 25886 1 484 . 1 1 44 44 GLY C C 13 174.473 . . . . . . A 44 GLY C . 25886 1 485 . 1 1 44 44 GLY CA C 13 44.749 . . . . . . A 44 GLY CA . 25886 1 486 . 1 1 44 44 GLY N N 15 104.367 . . . . . . A 44 GLY N . 25886 1 487 . 1 1 45 45 LEU H H 1 7.186 . . . . . . A 45 LEU H . 25886 1 488 . 1 1 45 45 LEU HA H 1 4.062 . . . . . . A 45 LEU HA . 25886 1 489 . 1 1 45 45 LEU HB2 H 1 1.492 . . . . . . A 45 LEU HB2 . 25886 1 490 . 1 1 45 45 LEU HB3 H 1 1.237 . . . . . . A 45 LEU HB3 . 25886 1 491 . 1 1 45 45 LEU HG H 1 1.680 . . . . . . A 45 LEU HG . 25886 1 492 . 1 1 45 45 LEU HD11 H 1 0.498 . . . . . . A 45 LEU HD11 . 25886 1 493 . 1 1 45 45 LEU HD12 H 1 0.498 . . . . . . A 45 LEU HD12 . 25886 1 494 . 1 1 45 45 LEU HD13 H 1 0.498 . . . . . . A 45 LEU HD13 . 25886 1 495 . 1 1 45 45 LEU HD21 H 1 0.769 . . . . . . A 45 LEU HD21 . 25886 1 496 . 1 1 45 45 LEU HD22 H 1 0.769 . . . . . . A 45 LEU HD22 . 25886 1 497 . 1 1 45 45 LEU HD23 H 1 0.769 . . . . . . A 45 LEU HD23 . 25886 1 498 . 1 1 45 45 LEU C C 13 174.242 . . . . . . A 45 LEU C . 25886 1 499 . 1 1 45 45 LEU CA C 13 56.991 . . . . . . A 45 LEU CA . 25886 1 500 . 1 1 45 45 LEU CB C 13 42.355 . . . . . . A 45 LEU CB . 25886 1 501 . 1 1 45 45 LEU CG C 13 27.069 . . . . . . A 45 LEU CG . 25886 1 502 . 1 1 45 45 LEU CD1 C 13 25.586 . . . . . . A 45 LEU CD1 . 25886 1 503 . 1 1 45 45 LEU CD2 C 13 23.791 . . . . . . A 45 LEU CD2 . 25886 1 504 . 1 1 45 45 LEU N N 15 119.632 . . . . . . A 45 LEU N . 25886 1 505 . 1 1 46 46 ASP H H 1 7.639 . . . . . . A 46 ASP H . 25886 1 506 . 1 1 46 46 ASP HA H 1 4.948 . . . . . . A 46 ASP HA . 25886 1 507 . 1 1 46 46 ASP HB2 H 1 2.827 . . . . . . A 46 ASP HB2 . 25886 1 508 . 1 1 46 46 ASP HB3 H 1 3.217 . . . . . . A 46 ASP HB3 . 25886 1 509 . 1 1 46 46 ASP C C 13 176.681 . . . . . . A 46 ASP C . 25886 1 510 . 1 1 46 46 ASP CA C 13 52.602 . . . . . . A 46 ASP CA . 25886 1 511 . 1 1 46 46 ASP CB C 13 42.627 . . . . . . A 46 ASP CB . 25886 1 512 . 1 1 46 46 ASP N N 15 125.972 . . . . . . A 46 ASP N . 25886 1 513 . 1 1 47 47 SER H H 1 8.689 . . . . . . A 47 SER H . 25886 1 514 . 1 1 47 47 SER HA H 1 4.258 . . . . . . A 47 SER HA . 25886 1 515 . 1 1 47 47 SER HB2 H 1 3.921 . . . . . . A 47 SER HB2 . 25886 1 516 . 1 1 47 47 SER HB3 H 1 3.921 . . . . . . A 47 SER HB3 . 25886 1 517 . 1 1 47 47 SER C C 13 175.752 . . . . . . A 47 SER C . 25886 1 518 . 1 1 47 47 SER CA C 13 62.092 . . . . . . A 47 SER CA . 25886 1 519 . 1 1 47 47 SER CB C 13 62.795 . . . . . . A 47 SER CB . 25886 1 520 . 1 1 47 47 SER N N 15 114.070 . . . . . . A 47 SER N . 25886 1 521 . 1 1 48 48 VAL H H 1 7.601 . . . . . . A 48 VAL H . 25886 1 522 . 1 1 48 48 VAL HA H 1 3.718 . . . . . . A 48 VAL HA . 25886 1 523 . 1 1 48 48 VAL HB H 1 2.130 . . . . . . A 48 VAL HB . 25886 1 524 . 1 1 48 48 VAL HG11 H 1 0.984 . . . . . . A 48 VAL HG11 . 25886 1 525 . 1 1 48 48 VAL HG12 H 1 0.984 . . . . . . A 48 VAL HG12 . 25886 1 526 . 1 1 48 48 VAL HG13 H 1 0.984 . . . . . . A 48 VAL HG13 . 25886 1 527 . 1 1 48 48 VAL HG21 H 1 0.834 . . . . . . A 48 VAL HG21 . 25886 1 528 . 1 1 48 48 VAL HG22 H 1 0.834 . . . . . . A 48 VAL HG22 . 25886 1 529 . 1 1 48 48 VAL HG23 H 1 0.834 . . . . . . A 48 VAL HG23 . 25886 1 530 . 1 1 48 48 VAL C C 13 179.567 . . . . . . A 48 VAL C . 25886 1 531 . 1 1 48 48 VAL CA C 13 66.184 . . . . . . A 48 VAL CA . 25886 1 532 . 1 1 48 48 VAL CB C 13 31.441 . . . . . . A 48 VAL CB . 25886 1 533 . 1 1 48 48 VAL CG1 C 13 22.367 . . . . . . A 48 VAL CG1 . 25886 1 534 . 1 1 48 48 VAL CG2 C 13 21.493 . . . . . . A 48 VAL CG2 . 25886 1 535 . 1 1 48 48 VAL N N 15 122.568 . . . . . . A 48 VAL N . 25886 1 536 . 1 1 49 49 TYR H H 1 8.656 . . . . . . A 49 TYR H . 25886 1 537 . 1 1 49 49 TYR HA H 1 4.449 . . . . . . A 49 TYR HA . 25886 1 538 . 1 1 49 49 TYR HB2 H 1 2.936 . . . . . . A 49 TYR HB2 . 25886 1 539 . 1 1 49 49 TYR HB3 H 1 2.936 . . . . . . A 49 TYR HB3 . 25886 1 540 . 1 1 49 49 TYR HD1 H 1 7.093 . . . . . . A 49 TYR HD1 . 25886 1 541 . 1 1 49 49 TYR HE1 H 1 6.754 . . . . . . A 49 TYR HE1 . 25886 1 542 . 1 1 49 49 TYR C C 13 178.575 . . . . . . A 49 TYR C . 25886 1 543 . 1 1 49 49 TYR CA C 13 60.553 . . . . . . A 49 TYR CA . 25886 1 544 . 1 1 49 49 TYR CB C 13 38.878 . . . . . . A 49 TYR CB . 25886 1 545 . 1 1 49 49 TYR CD1 C 13 132.413 . . . . . . A 49 TYR CD1 . 25886 1 546 . 1 1 49 49 TYR CE1 C 13 118.501 . . . . . . A 49 TYR CE1 . 25886 1 547 . 1 1 49 49 TYR N N 15 120.689 . . . . . . A 49 TYR N . 25886 1 548 . 1 1 50 50 ALA H H 1 8.610 . . . . . . A 50 ALA H . 25886 1 549 . 1 1 50 50 ALA HA H 1 3.755 . . . . . . A 50 ALA HA . 25886 1 550 . 1 1 50 50 ALA HB1 H 1 1.420 . . . . . . A 50 ALA HB1 . 25886 1 551 . 1 1 50 50 ALA HB2 H 1 1.420 . . . . . . A 50 ALA HB2 . 25886 1 552 . 1 1 50 50 ALA HB3 H 1 1.420 . . . . . . A 50 ALA HB3 . 25886 1 553 . 1 1 50 50 ALA C C 13 178.950 . . . . . . A 50 ALA C . 25886 1 554 . 1 1 50 50 ALA CA C 13 55.923 . . . . . . A 50 ALA CA . 25886 1 555 . 1 1 50 50 ALA CB C 13 18.301 . . . . . . A 50 ALA CB . 25886 1 556 . 1 1 50 50 ALA N N 15 120.368 . . . . . . A 50 ALA N . 25886 1 557 . 1 1 51 51 LEU H H 1 7.777 . . . . . . A 51 LEU H . 25886 1 558 . 1 1 51 51 LEU HA H 1 4.087 . . . . . . A 51 LEU HA . 25886 1 559 . 1 1 51 51 LEU HB2 H 1 1.925 . . . . . . A 51 LEU HB2 . 25886 1 560 . 1 1 51 51 LEU HB3 H 1 1.680 . . . . . . A 51 LEU HB3 . 25886 1 561 . 1 1 51 51 LEU HG H 1 1.853 . . . . . . A 51 LEU HG . 25886 1 562 . 1 1 51 51 LEU HD11 H 1 0.954 . . . . . . A 51 LEU HD11 . 25886 1 563 . 1 1 51 51 LEU HD12 H 1 0.954 . . . . . . A 51 LEU HD12 . 25886 1 564 . 1 1 51 51 LEU HD13 H 1 0.954 . . . . . . A 51 LEU HD13 . 25886 1 565 . 1 1 51 51 LEU HD21 H 1 0.900 . . . . . . A 51 LEU HD21 . 25886 1 566 . 1 1 51 51 LEU HD22 H 1 0.900 . . . . . . A 51 LEU HD22 . 25886 1 567 . 1 1 51 51 LEU HD23 H 1 0.900 . . . . . . A 51 LEU HD23 . 25886 1 568 . 1 1 51 51 LEU C C 13 179.836 . . . . . . A 51 LEU C . 25886 1 569 . 1 1 51 51 LEU CA C 13 57.982 . . . . . . A 51 LEU CA . 25886 1 570 . 1 1 51 51 LEU CB C 13 41.649 . . . . . . A 51 LEU CB . 25886 1 571 . 1 1 51 51 LEU CG C 13 27.421 . . . . . . A 51 LEU CG . 25886 1 572 . 1 1 51 51 LEU CD1 C 13 25.055 . . . . . . A 51 LEU CD1 . 25886 1 573 . 1 1 51 51 LEU CD2 C 13 23.823 . . . . . . A 51 LEU CD2 . 25886 1 574 . 1 1 51 51 LEU N N 15 117.217 . . . . . . A 51 LEU N . 25886 1 575 . 1 1 52 52 SER H H 1 7.698 . . . . . . A 52 SER H . 25886 1 576 . 1 1 52 52 SER HA H 1 4.322 . . . . . . A 52 SER HA . 25886 1 577 . 1 1 52 52 SER HB2 H 1 3.896 . . . . . . A 52 SER HB2 . 25886 1 578 . 1 1 52 52 SER HB3 H 1 3.896 . . . . . . A 52 SER HB3 . 25886 1 579 . 1 1 52 52 SER C C 13 177.047 . . . . . . A 52 SER C . 25886 1 580 . 1 1 52 52 SER CA C 13 61.819 . . . . . . A 52 SER CA . 25886 1 581 . 1 1 52 52 SER CB C 13 62.775 . . . . . . A 52 SER CB . 25886 1 582 . 1 1 52 52 SER N N 15 116.010 . . . . . . A 52 SER N . 25886 1 583 . 1 1 53 53 ILE H H 1 8.123 . . . . . . A 53 ILE H . 25886 1 584 . 1 1 53 53 ILE HA H 1 3.568 . . . . . . A 53 ILE HA . 25886 1 585 . 1 1 53 53 ILE HB H 1 1.666 . . . . . . A 53 ILE HB . 25886 1 586 . 1 1 53 53 ILE HG12 H 1 1.320 . . . . . . A 53 ILE HG12 . 25886 1 587 . 1 1 53 53 ILE HG13 H 1 1.320 . . . . . . A 53 ILE HG13 . 25886 1 588 . 1 1 53 53 ILE HG21 H 1 0.756 . . . . . . A 53 ILE HG21 . 25886 1 589 . 1 1 53 53 ILE HG22 H 1 0.756 . . . . . . A 53 ILE HG22 . 25886 1 590 . 1 1 53 53 ILE HG23 H 1 0.756 . . . . . . A 53 ILE HG23 . 25886 1 591 . 1 1 53 53 ILE HD11 H 1 0.615 . . . . . . A 53 ILE HD11 . 25886 1 592 . 1 1 53 53 ILE HD12 H 1 0.615 . . . . . . A 53 ILE HD12 . 25886 1 593 . 1 1 53 53 ILE HD13 H 1 0.615 . . . . . . A 53 ILE HD13 . 25886 1 594 . 1 1 53 53 ILE C C 13 177.401 . . . . . . A 53 ILE C . 25886 1 595 . 1 1 53 53 ILE CA C 13 64.772 . . . . . . A 53 ILE CA . 25886 1 596 . 1 1 53 53 ILE CB C 13 37.757 . . . . . . A 53 ILE CB . 25886 1 597 . 1 1 53 53 ILE CG1 C 13 29.316 . . . . . . A 53 ILE CG1 . 25886 1 598 . 1 1 53 53 ILE CG2 C 13 16.799 . . . . . . A 53 ILE CG2 . 25886 1 599 . 1 1 53 53 ILE CD1 C 13 13.915 . . . . . . A 53 ILE CD1 . 25886 1 600 . 1 1 53 53 ILE N N 15 122.233 . . . . . . A 53 ILE N . 25886 1 601 . 1 1 54 54 ALA H H 1 8.237 . . . . . . A 54 ALA H . 25886 1 602 . 1 1 54 54 ALA HA H 1 3.903 . . . . . . A 54 ALA HA . 25886 1 603 . 1 1 54 54 ALA HB1 H 1 1.473 . . . . . . A 54 ALA HB1 . 25886 1 604 . 1 1 54 54 ALA HB2 H 1 1.473 . . . . . . A 54 ALA HB2 . 25886 1 605 . 1 1 54 54 ALA HB3 H 1 1.473 . . . . . . A 54 ALA HB3 . 25886 1 606 . 1 1 54 54 ALA C C 13 178.862 . . . . . . A 54 ALA C . 25886 1 607 . 1 1 54 54 ALA CA C 13 55.935 . . . . . . A 54 ALA CA . 25886 1 608 . 1 1 54 54 ALA CB C 13 17.757 . . . . . . A 54 ALA CB . 25886 1 609 . 1 1 54 54 ALA N N 15 121.615 . . . . . . A 54 ALA N . 25886 1 610 . 1 1 55 55 ALA H H 1 7.852 . . . . . . A 55 ALA H . 25886 1 611 . 1 1 55 55 ALA HA H 1 4.294 . . . . . . A 55 ALA HA . 25886 1 612 . 1 1 55 55 ALA HB1 H 1 1.569 . . . . . . A 55 ALA HB1 . 25886 1 613 . 1 1 55 55 ALA HB2 H 1 1.569 . . . . . . A 55 ALA HB2 . 25886 1 614 . 1 1 55 55 ALA HB3 H 1 1.569 . . . . . . A 55 ALA HB3 . 25886 1 615 . 1 1 55 55 ALA C C 13 180.737 . . . . . . A 55 ALA C . 25886 1 616 . 1 1 55 55 ALA CA C 13 54.997 . . . . . . A 55 ALA CA . 25886 1 617 . 1 1 55 55 ALA CB C 13 18.034 . . . . . . A 55 ALA CB . 25886 1 618 . 1 1 55 55 ALA N N 15 118.798 . . . . . . A 55 ALA N . 25886 1 619 . 1 1 56 56 GLU H H 1 7.884 . . . . . . A 56 GLU H . 25886 1 620 . 1 1 56 56 GLU HA H 1 4.307 . . . . . . A 56 GLU HA . 25886 1 621 . 1 1 56 56 GLU HB2 H 1 2.289 . . . . . . A 56 GLU HB2 . 25886 1 622 . 1 1 56 56 GLU HB3 H 1 2.368 . . . . . . A 56 GLU HB3 . 25886 1 623 . 1 1 56 56 GLU HG2 H 1 2.510 . . . . . . A 56 GLU HG2 . 25886 1 624 . 1 1 56 56 GLU HG3 H 1 2.635 . . . . . . A 56 GLU HG3 . 25886 1 625 . 1 1 56 56 GLU C C 13 180.105 . . . . . . A 56 GLU C . 25886 1 626 . 1 1 56 56 GLU CA C 13 59.537 . . . . . . A 56 GLU CA . 25886 1 627 . 1 1 56 56 GLU CB C 13 29.437 . . . . . . A 56 GLU CB . 25886 1 628 . 1 1 56 56 GLU CG C 13 36.922 . . . . . . A 56 GLU CG . 25886 1 629 . 1 1 56 56 GLU N N 15 119.441 . . . . . . A 56 GLU N . 25886 1 630 . 1 1 57 57 LEU H H 1 8.620 . . . . . . A 57 LEU H . 25886 1 631 . 1 1 57 57 LEU HA H 1 3.921 . . . . . . A 57 LEU HA . 25886 1 632 . 1 1 57 57 LEU HB2 H 1 1.392 . . . . . . A 57 LEU HB2 . 25886 1 633 . 1 1 57 57 LEU HB3 H 1 2.134 . . . . . . A 57 LEU HB3 . 25886 1 634 . 1 1 57 57 LEU HG H 1 1.840 . . . . . . A 57 LEU HG . 25886 1 635 . 1 1 57 57 LEU HD11 H 1 0.762 . . . . . . A 57 LEU HD11 . 25886 1 636 . 1 1 57 57 LEU HD12 H 1 0.762 . . . . . . A 57 LEU HD12 . 25886 1 637 . 1 1 57 57 LEU HD13 H 1 0.762 . . . . . . A 57 LEU HD13 . 25886 1 638 . 1 1 57 57 LEU HD21 H 1 0.857 . . . . . . A 57 LEU HD21 . 25886 1 639 . 1 1 57 57 LEU HD22 H 1 0.857 . . . . . . A 57 LEU HD22 . 25886 1 640 . 1 1 57 57 LEU HD23 H 1 0.857 . . . . . . A 57 LEU HD23 . 25886 1 641 . 1 1 57 57 LEU C C 13 178.628 . . . . . . A 57 LEU C . 25886 1 642 . 1 1 57 57 LEU CA C 13 58.266 . . . . . . A 57 LEU CA . 25886 1 643 . 1 1 57 57 LEU CB C 13 42.326 . . . . . . A 57 LEU CB . 25886 1 644 . 1 1 57 57 LEU CG C 13 27.328 . . . . . . A 57 LEU CG . 25886 1 645 . 1 1 57 57 LEU CD1 C 13 25.297 . . . . . . A 57 LEU CD1 . 25886 1 646 . 1 1 57 57 LEU CD2 C 13 23.421 . . . . . . A 57 LEU CD2 . 25886 1 647 . 1 1 57 57 LEU N N 15 121.936 . . . . . . A 57 LEU N . 25886 1 648 . 1 1 58 58 GLU H H 1 8.481 . . . . . . A 58 GLU H . 25886 1 649 . 1 1 58 58 GLU HA H 1 4.021 . . . . . . A 58 GLU HA . 25886 1 650 . 1 1 58 58 GLU HB2 H 1 2.199 . . . . . . A 58 GLU HB2 . 25886 1 651 . 1 1 58 58 GLU HB3 H 1 2.345 . . . . . . A 58 GLU HB3 . 25886 1 652 . 1 1 58 58 GLU HG2 H 1 2.333 . . . . . . A 58 GLU HG2 . 25886 1 653 . 1 1 58 58 GLU HG3 H 1 2.740 . . . . . . A 58 GLU HG3 . 25886 1 654 . 1 1 58 58 GLU C C 13 179.471 . . . . . . A 58 GLU C . 25886 1 655 . 1 1 58 58 GLU CA C 13 59.998 . . . . . . A 58 GLU CA . 25886 1 656 . 1 1 58 58 GLU CB C 13 29.703 . . . . . . A 58 GLU CB . 25886 1 657 . 1 1 58 58 GLU CG C 13 36.817 . . . . . . A 58 GLU CG . 25886 1 658 . 1 1 58 58 GLU N N 15 119.453 . . . . . . A 58 GLU N . 25886 1 659 . 1 1 59 59 ASP H H 1 7.768 . . . . . . A 59 ASP H . 25886 1 660 . 1 1 59 59 ASP HA H 1 4.475 . . . . . . A 59 ASP HA . 25886 1 661 . 1 1 59 59 ASP HB2 H 1 2.869 . . . . . . A 59 ASP HB2 . 25886 1 662 . 1 1 59 59 ASP HB3 H 1 2.798 . . . . . . A 59 ASP HB3 . 25886 1 663 . 1 1 59 59 ASP C C 13 177.832 . . . . . . A 59 ASP C . 25886 1 664 . 1 1 59 59 ASP CA C 13 56.730 . . . . . . A 59 ASP CA . 25886 1 665 . 1 1 59 59 ASP CB C 13 41.579 . . . . . . A 59 ASP CB . 25886 1 666 . 1 1 59 59 ASP N N 15 117.533 . . . . . . A 59 ASP N . 25886 1 667 . 1 1 60 60 HIS H H 1 8.276 . . . . . . A 60 HIS H . 25886 1 668 . 1 1 60 60 HIS HA H 1 4.407 . . . . . . A 60 HIS HA . 25886 1 669 . 1 1 60 60 HIS HB2 H 1 2.831 . . . . . . A 60 HIS HB2 . 25886 1 670 . 1 1 60 60 HIS HB3 H 1 3.155 . . . . . . A 60 HIS HB3 . 25886 1 671 . 1 1 60 60 HIS HD2 H 1 7.282 . . . . . . A 60 HIS HD2 . 25886 1 672 . 1 1 60 60 HIS HE1 H 1 8.374 . . . . . . A 60 HIS HE1 . 25886 1 673 . 1 1 60 60 HIS C C 13 175.797 . . . . . . A 60 HIS C . 25886 1 674 . 1 1 60 60 HIS CA C 13 58.155 . . . . . . A 60 HIS CA . 25886 1 675 . 1 1 60 60 HIS CB C 13 29.910 . . . . . . A 60 HIS CB . 25886 1 676 . 1 1 60 60 HIS CD2 C 13 119.996 . . . . . . A 60 HIS CD2 . 25886 1 677 . 1 1 60 60 HIS CE1 C 13 137.559 . . . . . . A 60 HIS CE1 . 25886 1 678 . 1 1 60 60 HIS N N 15 116.220 . . . . . . A 60 HIS N . 25886 1 679 . 1 1 61 61 LEU H H 1 8.210 . . . . . . A 61 LEU H . 25886 1 680 . 1 1 61 61 LEU HA H 1 4.182 . . . . . . A 61 LEU HA . 25886 1 681 . 1 1 61 61 LEU HB2 H 1 1.707 . . . . . . A 61 LEU HB2 . 25886 1 682 . 1 1 61 61 LEU HB3 H 1 1.521 . . . . . . A 61 LEU HB3 . 25886 1 683 . 1 1 61 61 LEU HG H 1 1.738 . . . . . . A 61 LEU HG . 25886 1 684 . 1 1 61 61 LEU HD11 H 1 0.753 . . . . . . A 61 LEU HD11 . 25886 1 685 . 1 1 61 61 LEU HD12 H 1 0.753 . . . . . . A 61 LEU HD12 . 25886 1 686 . 1 1 61 61 LEU HD13 H 1 0.753 . . . . . . A 61 LEU HD13 . 25886 1 687 . 1 1 61 61 LEU HD21 H 1 0.620 . . . . . . A 61 LEU HD21 . 25886 1 688 . 1 1 61 61 LEU HD22 H 1 0.620 . . . . . . A 61 LEU HD22 . 25886 1 689 . 1 1 61 61 LEU HD23 H 1 0.620 . . . . . . A 61 LEU HD23 . 25886 1 690 . 1 1 61 61 LEU C C 13 175.794 . . . . . . A 61 LEU C . 25886 1 691 . 1 1 61 61 LEU CA C 13 54.363 . . . . . . A 61 LEU CA . 25886 1 692 . 1 1 61 61 LEU CB C 13 43.226 . . . . . . A 61 LEU CB . 25886 1 693 . 1 1 61 61 LEU CG C 13 27.375 . . . . . . A 61 LEU CG . 25886 1 694 . 1 1 61 61 LEU CD1 C 13 26.463 . . . . . . A 61 LEU CD1 . 25886 1 695 . 1 1 61 61 LEU CD2 C 13 23.276 . . . . . . A 61 LEU CD2 . 25886 1 696 . 1 1 61 61 LEU N N 15 115.186 . . . . . . A 61 LEU N . 25886 1 697 . 1 1 62 62 ASP H H 1 8.019 . . . . . . A 62 ASP H . 25886 1 698 . 1 1 62 62 ASP HA H 1 4.429 . . . . . . A 62 ASP HA . 25886 1 699 . 1 1 62 62 ASP HB2 H 1 2.414 . . . . . . A 62 ASP HB2 . 25886 1 700 . 1 1 62 62 ASP HB3 H 1 3.104 . . . . . . A 62 ASP HB3 . 25886 1 701 . 1 1 62 62 ASP C C 13 174.610 . . . . . . A 62 ASP C . 25886 1 702 . 1 1 62 62 ASP CA C 13 54.914 . . . . . . A 62 ASP CA . 25886 1 703 . 1 1 62 62 ASP CB C 13 39.379 . . . . . . A 62 ASP CB . 25886 1 704 . 1 1 62 62 ASP N N 15 119.028 . . . . . . A 62 ASP N . 25886 1 705 . 1 1 63 63 VAL H H 1 7.394 . . . . . . A 63 VAL H . 25886 1 706 . 1 1 63 63 VAL HA H 1 4.526 . . . . . . A 63 VAL HA . 25886 1 707 . 1 1 63 63 VAL HB H 1 1.993 . . . . . . A 63 VAL HB . 25886 1 708 . 1 1 63 63 VAL HG11 H 1 0.762 . . . . . . A 63 VAL HG11 . 25886 1 709 . 1 1 63 63 VAL HG12 H 1 0.762 . . . . . . A 63 VAL HG12 . 25886 1 710 . 1 1 63 63 VAL HG13 H 1 0.762 . . . . . . A 63 VAL HG13 . 25886 1 711 . 1 1 63 63 VAL HG21 H 1 0.674 . . . . . . A 63 VAL HG21 . 25886 1 712 . 1 1 63 63 VAL HG22 H 1 0.674 . . . . . . A 63 VAL HG22 . 25886 1 713 . 1 1 63 63 VAL HG23 H 1 0.674 . . . . . . A 63 VAL HG23 . 25886 1 714 . 1 1 63 63 VAL C C 13 174.227 . . . . . . A 63 VAL C . 25886 1 715 . 1 1 63 63 VAL CA C 13 59.196 . . . . . . A 63 VAL CA . 25886 1 716 . 1 1 63 63 VAL CB C 13 35.518 . . . . . . A 63 VAL CB . 25886 1 717 . 1 1 63 63 VAL CG1 C 13 21.736 . . . . . . A 63 VAL CG1 . 25886 1 718 . 1 1 63 63 VAL CG2 C 13 19.580 . . . . . . A 63 VAL CG2 . 25886 1 719 . 1 1 63 63 VAL N N 15 110.967 . . . . . . A 63 VAL N . 25886 1 720 . 1 1 64 64 SER H H 1 8.214 . . . . . . A 64 SER H . 25886 1 721 . 1 1 64 64 SER HA H 1 4.648 . . . . . . A 64 SER HA . 25886 1 722 . 1 1 64 64 SER HB2 H 1 3.687 . . . . . . A 64 SER HB2 . 25886 1 723 . 1 1 64 64 SER HB3 H 1 3.779 . . . . . . A 64 SER HB3 . 25886 1 724 . 1 1 64 64 SER C C 13 174.091 . . . . . . A 64 SER C . 25886 1 725 . 1 1 64 64 SER CA C 13 57.416 . . . . . . A 64 SER CA . 25886 1 726 . 1 1 64 64 SER CB C 13 63.835 . . . . . . A 64 SER CB . 25886 1 727 . 1 1 64 64 SER N N 15 116.252 . . . . . . A 64 SER N . 25886 1 728 . 1 1 65 65 LEU H H 1 9.101 . . . . . . A 65 LEU H . 25886 1 729 . 1 1 65 65 LEU HA H 1 4.548 . . . . . . A 65 LEU HA . 25886 1 730 . 1 1 65 65 LEU HB2 H 1 1.545 . . . . . . A 65 LEU HB2 . 25886 1 731 . 1 1 65 65 LEU HB3 H 1 1.441 . . . . . . A 65 LEU HB3 . 25886 1 732 . 1 1 65 65 LEU HG H 1 1.550 . . . . . . A 65 LEU HG . 25886 1 733 . 1 1 65 65 LEU HD11 H 1 0.778 . . . . . . A 65 LEU HD11 . 25886 1 734 . 1 1 65 65 LEU HD12 H 1 0.778 . . . . . . A 65 LEU HD12 . 25886 1 735 . 1 1 65 65 LEU HD13 H 1 0.778 . . . . . . A 65 LEU HD13 . 25886 1 736 . 1 1 65 65 LEU HD21 H 1 0.744 . . . . . . A 65 LEU HD21 . 25886 1 737 . 1 1 65 65 LEU HD22 H 1 0.744 . . . . . . A 65 LEU HD22 . 25886 1 738 . 1 1 65 65 LEU HD23 H 1 0.744 . . . . . . A 65 LEU HD23 . 25886 1 739 . 1 1 65 65 LEU C C 13 175.819 . . . . . . A 65 LEU C . 25886 1 740 . 1 1 65 65 LEU CA C 13 53.530 . . . . . . A 65 LEU CA . 25886 1 741 . 1 1 65 65 LEU CB C 13 44.310 . . . . . . A 65 LEU CB . 25886 1 742 . 1 1 65 65 LEU CG C 13 26.880 . . . . . . A 65 LEU CG . 25886 1 743 . 1 1 65 65 LEU CD1 C 13 25.982 . . . . . . A 65 LEU CD1 . 25886 1 744 . 1 1 65 65 LEU CD2 C 13 24.496 . . . . . . A 65 LEU CD2 . 25886 1 745 . 1 1 65 65 LEU N N 15 125.917 . . . . . . A 65 LEU N . 25886 1 746 . 1 1 66 66 ASP H H 1 8.514 . . . . . . A 66 ASP H . 25886 1 747 . 1 1 66 66 ASP HA H 1 4.812 . . . . . . A 66 ASP HA . 25886 1 748 . 1 1 66 66 ASP HB2 H 1 2.769 . . . . . . A 66 ASP HB2 . 25886 1 749 . 1 1 66 66 ASP HB3 H 1 2.684 . . . . . . A 66 ASP HB3 . 25886 1 750 . 1 1 66 66 ASP C C 13 175.761 . . . . . . A 66 ASP C . 25886 1 751 . 1 1 66 66 ASP CA C 13 51.788 . . . . . . A 66 ASP CA . 25886 1 752 . 1 1 66 66 ASP CB C 13 42.170 . . . . . . A 66 ASP CB . 25886 1 753 . 1 1 66 66 ASP N N 15 124.439 . . . . . . A 66 ASP N . 25886 1 754 . 1 1 67 67 PRO HA H 1 4.215 . . . . . . A 67 PRO HA . 25886 1 755 . 1 1 67 67 PRO HB2 H 1 2.019 . . . . . . A 67 PRO HB2 . 25886 1 756 . 1 1 67 67 PRO HB3 H 1 2.244 . . . . . . A 67 PRO HB3 . 25886 1 757 . 1 1 67 67 PRO HG2 H 1 2.017 . . . . . . A 67 PRO HG2 . 25886 1 758 . 1 1 67 67 PRO HG3 H 1 2.085 . . . . . . A 67 PRO HG3 . 25886 1 759 . 1 1 67 67 PRO HD2 H 1 3.953 . . . . . . A 67 PRO HD2 . 25886 1 760 . 1 1 67 67 PRO HD3 H 1 4.000 . . . . . . A 67 PRO HD3 . 25886 1 761 . 1 1 67 67 PRO C C 13 177.725 . . . . . . A 67 PRO C . 25886 1 762 . 1 1 67 67 PRO CA C 13 64.891 . . . . . . A 67 PRO CA . 25886 1 763 . 1 1 67 67 PRO CB C 13 32.124 . . . . . . A 67 PRO CB . 25886 1 764 . 1 1 67 67 PRO CG C 13 27.707 . . . . . . A 67 PRO CG . 25886 1 765 . 1 1 67 67 PRO CD C 13 51.437 . . . . . . A 67 PRO CD . 25886 1 766 . 1 1 68 68 THR H H 1 8.459 . . . . . . A 68 THR H . 25886 1 767 . 1 1 68 68 THR HA H 1 4.340 . . . . . . A 68 THR HA . 25886 1 768 . 1 1 68 68 THR HB H 1 4.276 . . . . . . A 68 THR HB . 25886 1 769 . 1 1 68 68 THR HG21 H 1 1.299 . . . . . . A 68 THR HG21 . 25886 1 770 . 1 1 68 68 THR HG22 H 1 1.299 . . . . . . A 68 THR HG22 . 25886 1 771 . 1 1 68 68 THR HG23 H 1 1.299 . . . . . . A 68 THR HG23 . 25886 1 772 . 1 1 68 68 THR C C 13 175.675 . . . . . . A 68 THR C . 25886 1 773 . 1 1 68 68 THR CA C 13 64.362 . . . . . . A 68 THR CA . 25886 1 774 . 1 1 68 68 THR CB C 13 69.016 . . . . . . A 68 THR CB . 25886 1 775 . 1 1 68 68 THR CG2 C 13 22.003 . . . . . . A 68 THR CG2 . 25886 1 776 . 1 1 68 68 THR N N 15 110.689 . . . . . . A 68 THR N . 25886 1 777 . 1 1 69 69 LEU H H 1 7.808 . . . . . . A 69 LEU H . 25886 1 778 . 1 1 69 69 LEU HA H 1 4.211 . . . . . . A 69 LEU HA . 25886 1 779 . 1 1 69 69 LEU HB2 H 1 1.847 . . . . . . A 69 LEU HB2 . 25886 1 780 . 1 1 69 69 LEU HB3 H 1 1.997 . . . . . . A 69 LEU HB3 . 25886 1 781 . 1 1 69 69 LEU HG H 1 1.630 . . . . . . A 69 LEU HG . 25886 1 782 . 1 1 69 69 LEU HD11 H 1 0.958 . . . . . . A 69 LEU HD11 . 25886 1 783 . 1 1 69 69 LEU HD12 H 1 0.958 . . . . . . A 69 LEU HD12 . 25886 1 784 . 1 1 69 69 LEU HD13 H 1 0.958 . . . . . . A 69 LEU HD13 . 25886 1 785 . 1 1 69 69 LEU HD21 H 1 0.854 . . . . . . A 69 LEU HD21 . 25886 1 786 . 1 1 69 69 LEU HD22 H 1 0.854 . . . . . . A 69 LEU HD22 . 25886 1 787 . 1 1 69 69 LEU HD23 H 1 0.854 . . . . . . A 69 LEU HD23 . 25886 1 788 . 1 1 69 69 LEU C C 13 178.891 . . . . . . A 69 LEU C . 25886 1 789 . 1 1 69 69 LEU CA C 13 58.293 . . . . . . A 69 LEU CA . 25886 1 790 . 1 1 69 69 LEU CB C 13 42.727 . . . . . . A 69 LEU CB . 25886 1 791 . 1 1 69 69 LEU CG C 13 27.510 . . . . . . A 69 LEU CG . 25886 1 792 . 1 1 69 69 LEU CD1 C 13 25.092 . . . . . . A 69 LEU CD1 . 25886 1 793 . 1 1 69 69 LEU CD2 C 13 23.873 . . . . . . A 69 LEU CD2 . 25886 1 794 . 1 1 69 69 LEU N N 15 122.728 . . . . . . A 69 LEU N . 25886 1 795 . 1 1 70 70 ILE H H 1 7.651 . . . . . . A 70 ILE H . 25886 1 796 . 1 1 70 70 ILE HA H 1 3.728 . . . . . . A 70 ILE HA . 25886 1 797 . 1 1 70 70 ILE HB H 1 1.548 . . . . . . A 70 ILE HB . 25886 1 798 . 1 1 70 70 ILE HG12 H 1 0.964 . . . . . . A 70 ILE HG12 . 25886 1 799 . 1 1 70 70 ILE HG13 H 1 1.399 . . . . . . A 70 ILE HG13 . 25886 1 800 . 1 1 70 70 ILE HG21 H 1 0.428 . . . . . . A 70 ILE HG21 . 25886 1 801 . 1 1 70 70 ILE HG22 H 1 0.428 . . . . . . A 70 ILE HG22 . 25886 1 802 . 1 1 70 70 ILE HG23 H 1 0.428 . . . . . . A 70 ILE HG23 . 25886 1 803 . 1 1 70 70 ILE HD11 H 1 0.702 . . . . . . A 70 ILE HD11 . 25886 1 804 . 1 1 70 70 ILE HD12 H 1 0.702 . . . . . . A 70 ILE HD12 . 25886 1 805 . 1 1 70 70 ILE HD13 H 1 0.702 . . . . . . A 70 ILE HD13 . 25886 1 806 . 1 1 70 70 ILE C C 13 175.998 . . . . . . A 70 ILE C . 25886 1 807 . 1 1 70 70 ILE CA C 13 63.215 . . . . . . A 70 ILE CA . 25886 1 808 . 1 1 70 70 ILE CB C 13 37.580 . . . . . . A 70 ILE CB . 25886 1 809 . 1 1 70 70 ILE CG1 C 13 29.020 . . . . . . A 70 ILE CG1 . 25886 1 810 . 1 1 70 70 ILE CG2 C 13 17.121 . . . . . . A 70 ILE CG2 . 25886 1 811 . 1 1 70 70 ILE CD1 C 13 13.660 . . . . . . A 70 ILE CD1 . 25886 1 812 . 1 1 70 70 ILE N N 15 115.781 . . . . . . A 70 ILE N . 25886 1 813 . 1 1 71 71 TRP H H 1 7.207 . . . . . . A 71 TRP H . 25886 1 814 . 1 1 71 71 TRP HA H 1 4.501 . . . . . . A 71 TRP HA . 25886 1 815 . 1 1 71 71 TRP HB2 H 1 3.104 . . . . . . A 71 TRP HB2 . 25886 1 816 . 1 1 71 71 TRP HB3 H 1 3.388 . . . . . . A 71 TRP HB3 . 25886 1 817 . 1 1 71 71 TRP HD1 H 1 7.168 . . . . . . A 71 TRP HD1 . 25886 1 818 . 1 1 71 71 TRP HE1 H 1 9.895 . . . . . . A 71 TRP HE1 . 25886 1 819 . 1 1 71 71 TRP HE3 H 1 7.618 . . . . . . A 71 TRP HE3 . 25886 1 820 . 1 1 71 71 TRP HZ2 H 1 7.219 . . . . . . A 71 TRP HZ2 . 25886 1 821 . 1 1 71 71 TRP HZ3 H 1 6.940 . . . . . . A 71 TRP HZ3 . 25886 1 822 . 1 1 71 71 TRP HH2 H 1 6.949 . . . . . . A 71 TRP HH2 . 25886 1 823 . 1 1 71 71 TRP C C 13 177.869 . . . . . . A 71 TRP C . 25886 1 824 . 1 1 71 71 TRP CA C 13 57.874 . . . . . . A 71 TRP CA . 25886 1 825 . 1 1 71 71 TRP CB C 13 29.419 . . . . . . A 71 TRP CB . 25886 1 826 . 1 1 71 71 TRP CD1 C 13 127.415 . . . . . . A 71 TRP CD1 . 25886 1 827 . 1 1 71 71 TRP CE3 C 13 121.000 . . . . . . A 71 TRP CE3 . 25886 1 828 . 1 1 71 71 TRP CZ2 C 13 114.040 . . . . . . A 71 TRP CZ2 . 25886 1 829 . 1 1 71 71 TRP CZ3 C 13 118.622 . . . . . . A 71 TRP CZ3 . 25886 1 830 . 1 1 71 71 TRP CH2 C 13 123.581 . . . . . . A 71 TRP CH2 . 25886 1 831 . 1 1 71 71 TRP N N 15 118.548 . . . . . . A 71 TRP N . 25886 1 832 . 1 1 71 71 TRP NE1 N 15 129.389 . . . . . . A 71 TRP NE1 . 25886 1 833 . 1 1 72 72 ASP H H 1 8.070 . . . . . . A 72 ASP H . 25886 1 834 . 1 1 72 72 ASP HA H 1 4.465 . . . . . . A 72 ASP HA . 25886 1 835 . 1 1 72 72 ASP HB2 H 1 2.247 . . . . . . A 72 ASP HB2 . 25886 1 836 . 1 1 72 72 ASP HB3 H 1 2.527 . . . . . . A 72 ASP HB3 . 25886 1 837 . 1 1 72 72 ASP C C 13 176.148 . . . . . . A 72 ASP C . 25886 1 838 . 1 1 72 72 ASP CA C 13 55.103 . . . . . . A 72 ASP CA . 25886 1 839 . 1 1 72 72 ASP CB C 13 40.701 . . . . . . A 72 ASP CB . 25886 1 840 . 1 1 72 72 ASP N N 15 116.858 . . . . . . A 72 ASP N . 25886 1 841 . 1 1 73 73 HIS H H 1 7.550 . . . . . . A 73 HIS H . 25886 1 842 . 1 1 73 73 HIS HA H 1 4.967 . . . . . . A 73 HIS HA . 25886 1 843 . 1 1 73 73 HIS HB2 H 1 3.268 . . . . . . A 73 HIS HB2 . 25886 1 844 . 1 1 73 73 HIS HB3 H 1 2.710 . . . . . . A 73 HIS HB3 . 25886 1 845 . 1 1 73 73 HIS HD2 H 1 7.366 . . . . . . A 73 HIS HD2 . 25886 1 846 . 1 1 73 73 HIS HE1 H 1 8.607 . . . . . . A 73 HIS HE1 . 25886 1 847 . 1 1 73 73 HIS C C 13 171.662 . . . . . . A 73 HIS C . 25886 1 848 . 1 1 73 73 HIS CA C 13 53.085 . . . . . . A 73 HIS CA . 25886 1 849 . 1 1 73 73 HIS CB C 13 28.462 . . . . . . A 73 HIS CB . 25886 1 850 . 1 1 73 73 HIS CD2 C 13 119.996 . . . . . . A 73 HIS CD2 . 25886 1 851 . 1 1 73 73 HIS CE1 C 13 136.897 . . . . . . A 73 HIS CE1 . 25886 1 852 . 1 1 73 73 HIS N N 15 116.676 . . . . . . A 73 HIS N . 25886 1 853 . 1 1 74 74 PRO HA H 1 4.744 . . . . . . A 74 PRO HA . 25886 1 854 . 1 1 74 74 PRO HB2 H 1 2.021 . . . . . . A 74 PRO HB2 . 25886 1 855 . 1 1 74 74 PRO HB3 H 1 2.238 . . . . . . A 74 PRO HB3 . 25886 1 856 . 1 1 74 74 PRO HG2 H 1 2.082 . . . . . . A 74 PRO HG2 . 25886 1 857 . 1 1 74 74 PRO HG3 H 1 1.875 . . . . . . A 74 PRO HG3 . 25886 1 858 . 1 1 74 74 PRO HD2 H 1 3.472 . . . . . . A 74 PRO HD2 . 25886 1 859 . 1 1 74 74 PRO HD3 H 1 3.602 . . . . . . A 74 PRO HD3 . 25886 1 860 . 1 1 74 74 PRO C C 13 176.973 . . . . . . A 74 PRO C . 25886 1 861 . 1 1 74 74 PRO CA C 13 65.121 . . . . . . A 74 PRO CA . 25886 1 862 . 1 1 74 74 PRO CB C 13 31.743 . . . . . . A 74 PRO CB . 25886 1 863 . 1 1 74 74 PRO CG C 13 27.354 . . . . . . A 74 PRO CG . 25886 1 864 . 1 1 74 74 PRO CD C 13 49.801 . . . . . . A 74 PRO CD . 25886 1 865 . 1 1 75 75 THR H H 1 7.495 . . . . . . A 75 THR H . 25886 1 866 . 1 1 75 75 THR HA H 1 4.799 . . . . . . A 75 THR HA . 25886 1 867 . 1 1 75 75 THR HB H 1 4.569 . . . . . . A 75 THR HB . 25886 1 868 . 1 1 75 75 THR HG21 H 1 0.925 . . . . . . A 75 THR HG21 . 25886 1 869 . 1 1 75 75 THR HG22 H 1 0.925 . . . . . . A 75 THR HG22 . 25886 1 870 . 1 1 75 75 THR HG23 H 1 0.925 . . . . . . A 75 THR HG23 . 25886 1 871 . 1 1 75 75 THR C C 13 174.104 . . . . . . A 75 THR C . 25886 1 872 . 1 1 75 75 THR CA C 13 58.430 . . . . . . A 75 THR CA . 25886 1 873 . 1 1 75 75 THR CB C 13 71.148 . . . . . . A 75 THR CB . 25886 1 874 . 1 1 75 75 THR CG2 C 13 21.077 . . . . . . A 75 THR CG2 . 25886 1 875 . 1 1 75 75 THR N N 15 109.710 . . . . . . A 75 THR N . 25886 1 876 . 1 1 76 76 ILE H H 1 9.386 . . . . . . A 76 ILE H . 25886 1 877 . 1 1 76 76 ILE HA H 1 3.722 . . . . . . A 76 ILE HA . 25886 1 878 . 1 1 76 76 ILE HB H 1 1.893 . . . . . . A 76 ILE HB . 25886 1 879 . 1 1 76 76 ILE HG12 H 1 1.936 . . . . . . A 76 ILE HG12 . 25886 1 880 . 1 1 76 76 ILE HG13 H 1 1.221 . . . . . . A 76 ILE HG13 . 25886 1 881 . 1 1 76 76 ILE HG21 H 1 1.067 . . . . . . A 76 ILE HG21 . 25886 1 882 . 1 1 76 76 ILE HG22 H 1 1.067 . . . . . . A 76 ILE HG22 . 25886 1 883 . 1 1 76 76 ILE HG23 H 1 1.067 . . . . . . A 76 ILE HG23 . 25886 1 884 . 1 1 76 76 ILE HD11 H 1 0.818 . . . . . . A 76 ILE HD11 . 25886 1 885 . 1 1 76 76 ILE HD12 H 1 0.818 . . . . . . A 76 ILE HD12 . 25886 1 886 . 1 1 76 76 ILE HD13 H 1 0.818 . . . . . . A 76 ILE HD13 . 25886 1 887 . 1 1 76 76 ILE C C 13 179.258 . . . . . . A 76 ILE C . 25886 1 888 . 1 1 76 76 ILE CA C 13 65.894 . . . . . . A 76 ILE CA . 25886 1 889 . 1 1 76 76 ILE CB C 13 37.014 . . . . . . A 76 ILE CB . 25886 1 890 . 1 1 76 76 ILE CG1 C 13 30.052 . . . . . . A 76 ILE CG1 . 25886 1 891 . 1 1 76 76 ILE CG2 C 13 18.038 . . . . . . A 76 ILE CG2 . 25886 1 892 . 1 1 76 76 ILE CD1 C 13 12.970 . . . . . . A 76 ILE CD1 . 25886 1 893 . 1 1 76 76 ILE N N 15 123.173 . . . . . . A 76 ILE N . 25886 1 894 . 1 1 77 77 ASP H H 1 9.561 . . . . . . A 77 ASP H . 25886 1 895 . 1 1 77 77 ASP HA H 1 4.338 . . . . . . A 77 ASP HA . 25886 1 896 . 1 1 77 77 ASP HB2 H 1 2.649 . . . . . . A 77 ASP HB2 . 25886 1 897 . 1 1 77 77 ASP HB3 H 1 2.545 . . . . . . A 77 ASP HB3 . 25886 1 898 . 1 1 77 77 ASP C C 13 178.211 . . . . . . A 77 ASP C . 25886 1 899 . 1 1 77 77 ASP CA C 13 58.388 . . . . . . A 77 ASP CA . 25886 1 900 . 1 1 77 77 ASP CB C 13 40.090 . . . . . . A 77 ASP CB . 25886 1 901 . 1 1 77 77 ASP N N 15 123.849 . . . . . . A 77 ASP N . 25886 1 902 . 1 1 78 78 ALA H H 1 8.441 . . . . . . A 78 ALA H . 25886 1 903 . 1 1 78 78 ALA HA H 1 4.183 . . . . . . A 78 ALA HA . 25886 1 904 . 1 1 78 78 ALA HB1 H 1 1.547 . . . . . . A 78 ALA HB1 . 25886 1 905 . 1 1 78 78 ALA HB2 H 1 1.547 . . . . . . A 78 ALA HB2 . 25886 1 906 . 1 1 78 78 ALA HB3 H 1 1.547 . . . . . . A 78 ALA HB3 . 25886 1 907 . 1 1 78 78 ALA C C 13 180.705 . . . . . . A 78 ALA C . 25886 1 908 . 1 1 78 78 ALA CA C 13 54.837 . . . . . . A 78 ALA CA . 25886 1 909 . 1 1 78 78 ALA CB C 13 18.918 . . . . . . A 78 ALA CB . 25886 1 910 . 1 1 78 78 ALA N N 15 123.718 . . . . . . A 78 ALA N . 25886 1 911 . 1 1 79 79 LEU H H 1 8.961 . . . . . . A 79 LEU H . 25886 1 912 . 1 1 79 79 LEU HA H 1 3.955 . . . . . . A 79 LEU HA . 25886 1 913 . 1 1 79 79 LEU HB2 H 1 1.684 . . . . . . A 79 LEU HB2 . 25886 1 914 . 1 1 79 79 LEU HB3 H 1 2.172 . . . . . . A 79 LEU HB3 . 25886 1 915 . 1 1 79 79 LEU HG H 1 1.741 . . . . . . A 79 LEU HG . 25886 1 916 . 1 1 79 79 LEU HD11 H 1 0.904 . . . . . . A 79 LEU HD11 . 25886 1 917 . 1 1 79 79 LEU HD12 H 1 0.904 . . . . . . A 79 LEU HD12 . 25886 1 918 . 1 1 79 79 LEU HD13 H 1 0.904 . . . . . . A 79 LEU HD13 . 25886 1 919 . 1 1 79 79 LEU HD21 H 1 0.845 . . . . . . A 79 LEU HD21 . 25886 1 920 . 1 1 79 79 LEU HD22 H 1 0.845 . . . . . . A 79 LEU HD22 . 25886 1 921 . 1 1 79 79 LEU HD23 H 1 0.845 . . . . . . A 79 LEU HD23 . 25886 1 922 . 1 1 79 79 LEU C C 13 178.243 . . . . . . A 79 LEU C . 25886 1 923 . 1 1 79 79 LEU CA C 13 58.153 . . . . . . A 79 LEU CA . 25886 1 924 . 1 1 79 79 LEU CB C 13 41.845 . . . . . . A 79 LEU CB . 25886 1 925 . 1 1 79 79 LEU CG C 13 27.562 . . . . . . A 79 LEU CG . 25886 1 926 . 1 1 79 79 LEU CD1 C 13 25.290 . . . . . . A 79 LEU CD1 . 25886 1 927 . 1 1 79 79 LEU CD2 C 13 23.947 . . . . . . A 79 LEU CD2 . 25886 1 928 . 1 1 79 79 LEU N N 15 121.699 . . . . . . A 79 LEU N . 25886 1 929 . 1 1 80 80 SER H H 1 8.573 . . . . . . A 80 SER H . 25886 1 930 . 1 1 80 80 SER HA H 1 4.477 . . . . . . A 80 SER HA . 25886 1 931 . 1 1 80 80 SER HB2 H 1 3.958 . . . . . . A 80 SER HB2 . 25886 1 932 . 1 1 80 80 SER HB3 H 1 3.958 . . . . . . A 80 SER HB3 . 25886 1 933 . 1 1 80 80 SER C C 13 175.479 . . . . . . A 80 SER C . 25886 1 934 . 1 1 80 80 SER CA C 13 58.342 . . . . . . A 80 SER CA . 25886 1 935 . 1 1 80 80 SER CB C 13 62.825 . . . . . . A 80 SER CB . 25886 1 936 . 1 1 80 80 SER N N 15 113.533 . . . . . . A 80 SER N . 25886 1 937 . 1 1 81 81 THR H H 1 7.717 . . . . . . A 81 THR H . 25886 1 938 . 1 1 81 81 THR HA H 1 4.202 . . . . . . A 81 THR HA . 25886 1 939 . 1 1 81 81 THR HB H 1 3.785 . . . . . . A 81 THR HB . 25886 1 940 . 1 1 81 81 THR HG1 H 1 1.230 . . . . . . A 81 THR HG1 . 25886 1 941 . 1 1 81 81 THR HG21 H 1 0.765 . . . . . . A 81 THR HG21 . 25886 1 942 . 1 1 81 81 THR HG22 H 1 0.765 . . . . . . A 81 THR HG22 . 25886 1 943 . 1 1 81 81 THR HG23 H 1 0.765 . . . . . . A 81 THR HG23 . 25886 1 944 . 1 1 81 81 THR C C 13 176.420 . . . . . . A 81 THR C . 25886 1 945 . 1 1 81 81 THR CA C 13 68.943 . . . . . . A 81 THR CA . 25886 1 946 . 1 1 81 81 THR CB C 13 66.779 . . . . . . A 81 THR CB . 25886 1 947 . 1 1 81 81 THR CG2 C 13 22.015 . . . . . . A 81 THR CG2 . 25886 1 948 . 1 1 81 81 THR N N 15 117.244 . . . . . . A 81 THR N . 25886 1 949 . 1 1 82 82 ALA H H 1 7.807 . . . . . . A 82 ALA H . 25886 1 950 . 1 1 82 82 ALA HA H 1 4.046 . . . . . . A 82 ALA HA . 25886 1 951 . 1 1 82 82 ALA HB1 H 1 1.058 . . . . . . A 82 ALA HB1 . 25886 1 952 . 1 1 82 82 ALA HB2 H 1 1.058 . . . . . . A 82 ALA HB2 . 25886 1 953 . 1 1 82 82 ALA HB3 H 1 1.058 . . . . . . A 82 ALA HB3 . 25886 1 954 . 1 1 82 82 ALA C C 13 180.264 . . . . . . A 82 ALA C . 25886 1 955 . 1 1 82 82 ALA CA C 13 54.738 . . . . . . A 82 ALA CA . 25886 1 956 . 1 1 82 82 ALA CB C 13 17.419 . . . . . . A 82 ALA CB . 25886 1 957 . 1 1 82 82 ALA N N 15 123.805 . . . . . . A 82 ALA N . 25886 1 958 . 1 1 83 83 LEU H H 1 8.296 . . . . . . A 83 LEU H . 25886 1 959 . 1 1 83 83 LEU HA H 1 3.924 . . . . . . A 83 LEU HA . 25886 1 960 . 1 1 83 83 LEU HB2 H 1 1.174 . . . . . . A 83 LEU HB2 . 25886 1 961 . 1 1 83 83 LEU HB3 H 1 2.010 . . . . . . A 83 LEU HB3 . 25886 1 962 . 1 1 83 83 LEU HG H 1 1.854 . . . . . . A 83 LEU HG . 25886 1 963 . 1 1 83 83 LEU HD11 H 1 0.840 . . . . . . A 83 LEU HD11 . 25886 1 964 . 1 1 83 83 LEU HD12 H 1 0.840 . . . . . . A 83 LEU HD12 . 25886 1 965 . 1 1 83 83 LEU HD13 H 1 0.840 . . . . . . A 83 LEU HD13 . 25886 1 966 . 1 1 83 83 LEU HD21 H 1 0.743 . . . . . . A 83 LEU HD21 . 25886 1 967 . 1 1 83 83 LEU HD22 H 1 0.743 . . . . . . A 83 LEU HD22 . 25886 1 968 . 1 1 83 83 LEU HD23 H 1 0.743 . . . . . . A 83 LEU HD23 . 25886 1 969 . 1 1 83 83 LEU C C 13 178.602 . . . . . . A 83 LEU C . 25886 1 970 . 1 1 83 83 LEU CA C 13 57.688 . . . . . . A 83 LEU CA . 25886 1 971 . 1 1 83 83 LEU CB C 13 42.501 . . . . . . A 83 LEU CB . 25886 1 972 . 1 1 83 83 LEU CG C 13 27.359 . . . . . . A 83 LEU CG . 25886 1 973 . 1 1 83 83 LEU CD1 C 13 24.031 . . . . . . A 83 LEU CD1 . 25886 1 974 . 1 1 83 83 LEU CD2 C 13 25.296 . . . . . . A 83 LEU CD2 . 25886 1 975 . 1 1 83 83 LEU N N 15 118.447 . . . . . . A 83 LEU N . 25886 1 976 . 1 1 84 84 VAL H H 1 7.891 . . . . . . A 84 VAL H . 25886 1 977 . 1 1 84 84 VAL HA H 1 3.605 . . . . . . A 84 VAL HA . 25886 1 978 . 1 1 84 84 VAL HB H 1 2.136 . . . . . . A 84 VAL HB . 25886 1 979 . 1 1 84 84 VAL HG11 H 1 0.993 . . . . . . A 84 VAL HG11 . 25886 1 980 . 1 1 84 84 VAL HG12 H 1 0.993 . . . . . . A 84 VAL HG12 . 25886 1 981 . 1 1 84 84 VAL HG13 H 1 0.993 . . . . . . A 84 VAL HG13 . 25886 1 982 . 1 1 84 84 VAL HG21 H 1 0.947 . . . . . . A 84 VAL HG21 . 25886 1 983 . 1 1 84 84 VAL HG22 H 1 0.947 . . . . . . A 84 VAL HG22 . 25886 1 984 . 1 1 84 84 VAL HG23 H 1 0.947 . . . . . . A 84 VAL HG23 . 25886 1 985 . 1 1 84 84 VAL C C 13 177.903 . . . . . . A 84 VAL C . 25886 1 986 . 1 1 84 84 VAL CA C 13 66.418 . . . . . . A 84 VAL CA . 25886 1 987 . 1 1 84 84 VAL CB C 13 31.357 . . . . . . A 84 VAL CB . 25886 1 988 . 1 1 84 84 VAL CG1 C 13 23.144 . . . . . . A 84 VAL CG1 . 25886 1 989 . 1 1 84 84 VAL CG2 C 13 21.501 . . . . . . A 84 VAL CG2 . 25886 1 990 . 1 1 84 84 VAL N N 15 117.009 . . . . . . A 84 VAL N . 25886 1 991 . 1 1 85 85 ALA H H 1 7.479 . . . . . . A 85 ALA H . 25886 1 992 . 1 1 85 85 ALA HA H 1 4.170 . . . . . . A 85 ALA HA . 25886 1 993 . 1 1 85 85 ALA HB1 H 1 1.492 . . . . . . A 85 ALA HB1 . 25886 1 994 . 1 1 85 85 ALA HB2 H 1 1.492 . . . . . . A 85 ALA HB2 . 25886 1 995 . 1 1 85 85 ALA HB3 H 1 1.492 . . . . . . A 85 ALA HB3 . 25886 1 996 . 1 1 85 85 ALA C C 13 179.937 . . . . . . A 85 ALA C . 25886 1 997 . 1 1 85 85 ALA CA C 13 54.618 . . . . . . A 85 ALA CA . 25886 1 998 . 1 1 85 85 ALA CB C 13 18.111 . . . . . . A 85 ALA CB . 25886 1 999 . 1 1 85 85 ALA N N 15 120.913 . . . . . . A 85 ALA N . 25886 1 1000 . 1 1 86 86 GLU H H 1 7.705 . . . . . . A 86 GLU H . 25886 1 1001 . 1 1 86 86 GLU HA H 1 4.182 . . . . . . A 86 GLU HA . 25886 1 1002 . 1 1 86 86 GLU HB2 H 1 2.170 . . . . . . A 86 GLU HB2 . 25886 1 1003 . 1 1 86 86 GLU HB3 H 1 2.071 . . . . . . A 86 GLU HB3 . 25886 1 1004 . 1 1 86 86 GLU HG2 H 1 2.312 . . . . . . A 86 GLU HG2 . 25886 1 1005 . 1 1 86 86 GLU HG3 H 1 2.390 . . . . . . A 86 GLU HG3 . 25886 1 1006 . 1 1 86 86 GLU C C 13 178.085 . . . . . . A 86 GLU C . 25886 1 1007 . 1 1 86 86 GLU CA C 13 57.388 . . . . . . A 86 GLU CA . 25886 1 1008 . 1 1 86 86 GLU CB C 13 29.520 . . . . . . A 86 GLU CB . 25886 1 1009 . 1 1 86 86 GLU CG C 13 35.106 . . . . . . A 86 GLU CG . 25886 1 1010 . 1 1 86 86 GLU N N 15 116.850 . . . . . . A 86 GLU N . 25886 1 1011 . 1 1 87 87 LEU H H 1 7.832 . . . . . . A 87 LEU H . 25886 1 1012 . 1 1 87 87 LEU HA H 1 4.188 . . . . . . A 87 LEU HA . 25886 1 1013 . 1 1 87 87 LEU HB2 H 1 1.836 . . . . . . A 87 LEU HB2 . 25886 1 1014 . 1 1 87 87 LEU HB3 H 1 1.583 . . . . . . A 87 LEU HB3 . 25886 1 1015 . 1 1 87 87 LEU HG H 1 1.851 . . . . . . A 87 LEU HG . 25886 1 1016 . 1 1 87 87 LEU HD11 H 1 0.860 . . . . . . A 87 LEU HD11 . 25886 1 1017 . 1 1 87 87 LEU HD12 H 1 0.860 . . . . . . A 87 LEU HD12 . 25886 1 1018 . 1 1 87 87 LEU HD13 H 1 0.860 . . . . . . A 87 LEU HD13 . 25886 1 1019 . 1 1 87 87 LEU HD21 H 1 0.839 . . . . . . A 87 LEU HD21 . 25886 1 1020 . 1 1 87 87 LEU HD22 H 1 0.839 . . . . . . A 87 LEU HD22 . 25886 1 1021 . 1 1 87 87 LEU HD23 H 1 0.839 . . . . . . A 87 LEU HD23 . 25886 1 1022 . 1 1 87 87 LEU C C 13 177.554 . . . . . . A 87 LEU C . 25886 1 1023 . 1 1 87 87 LEU CA C 13 56.027 . . . . . . A 87 LEU CA . 25886 1 1024 . 1 1 87 87 LEU CB C 13 42.003 . . . . . . A 87 LEU CB . 25886 1 1025 . 1 1 87 87 LEU CG C 13 26.154 . . . . . . A 87 LEU CG . 25886 1 1026 . 1 1 87 87 LEU CD1 C 13 23.473 . . . . . . A 87 LEU CD1 . 25886 1 1027 . 1 1 87 87 LEU CD2 C 13 25.230 . . . . . . A 87 LEU CD2 . 25886 1 1028 . 1 1 87 87 LEU N N 15 119.107 . . . . . . A 87 LEU N . 25886 1 1029 . 1 1 88 88 ARG H H 1 7.922 . . . . . . A 88 ARG H . 25886 1 1030 . 1 1 88 88 ARG HA H 1 4.336 . . . . . . A 88 ARG HA . 25886 1 1031 . 1 1 88 88 ARG HB2 H 1 1.853 . . . . . . A 88 ARG HB2 . 25886 1 1032 . 1 1 88 88 ARG HB3 H 1 1.936 . . . . . . A 88 ARG HB3 . 25886 1 1033 . 1 1 88 88 ARG HG2 H 1 1.666 . . . . . . A 88 ARG HG2 . 25886 1 1034 . 1 1 88 88 ARG HG3 H 1 1.740 . . . . . . A 88 ARG HG3 . 25886 1 1035 . 1 1 88 88 ARG HD2 H 1 3.221 . . . . . . A 88 ARG HD2 . 25886 1 1036 . 1 1 88 88 ARG HD3 H 1 3.221 . . . . . . A 88 ARG HD3 . 25886 1 1037 . 1 1 88 88 ARG C C 13 176.360 . . . . . . A 88 ARG C . 25886 1 1038 . 1 1 88 88 ARG CA C 13 56.529 . . . . . . A 88 ARG CA . 25886 1 1039 . 1 1 88 88 ARG CB C 13 30.599 . . . . . . A 88 ARG CB . 25886 1 1040 . 1 1 88 88 ARG CG C 13 27.466 . . . . . . A 88 ARG CG . 25886 1 1041 . 1 1 88 88 ARG CD C 13 43.650 . . . . . . A 88 ARG CD . 25886 1 1042 . 1 1 88 88 ARG N N 15 119.046 . . . . . . A 88 ARG N . 25886 1 1043 . 1 1 89 89 SER H H 1 8.051 . . . . . . A 89 SER H . 25886 1 1044 . 1 1 89 89 SER HA H 1 4.441 . . . . . . A 89 SER HA . 25886 1 1045 . 1 1 89 89 SER HB2 H 1 3.913 . . . . . . A 89 SER HB2 . 25886 1 1046 . 1 1 89 89 SER HB3 H 1 3.913 . . . . . . A 89 SER HB3 . 25886 1 1047 . 1 1 89 89 SER C C 13 173.377 . . . . . . A 89 SER C . 25886 1 1048 . 1 1 89 89 SER CA C 13 58.396 . . . . . . A 89 SER CA . 25886 1 1049 . 1 1 89 89 SER CB C 13 64.055 . . . . . . A 89 SER CB . 25886 1 1050 . 1 1 89 89 SER N N 15 116.398 . . . . . . A 89 SER N . 25886 1 1051 . 1 1 90 90 ALA H H 1 7.902 . . . . . . A 90 ALA H . 25886 1 1052 . 1 1 90 90 ALA HA H 1 4.134 . . . . . . A 90 ALA HA . 25886 1 1053 . 1 1 90 90 ALA HB1 H 1 1.357 . . . . . . A 90 ALA HB1 . 25886 1 1054 . 1 1 90 90 ALA HB2 H 1 1.357 . . . . . . A 90 ALA HB2 . 25886 1 1055 . 1 1 90 90 ALA HB3 H 1 1.357 . . . . . . A 90 ALA HB3 . 25886 1 1056 . 1 1 90 90 ALA C C 13 182.475 . . . . . . A 90 ALA C . 25886 1 1057 . 1 1 90 90 ALA CA C 13 54.076 . . . . . . A 90 ALA CA . 25886 1 1058 . 1 1 90 90 ALA CB C 13 20.163 . . . . . . A 90 ALA CB . 25886 1 1059 . 1 1 90 90 ALA N N 15 131.316 . . . . . . A 90 ALA N . 25886 1 stop_ save_