data_15353 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15353 _Entry.Title ; Solution NMR Structure of Bordetella bronchiseptica protein BB2007: Northeast Structural Genomics Consortium Target BoR54 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-06-29 _Entry.Last_release_date 2007-08-10 _Entry.Original_release_date 2007-08-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexander Eletsky . . . 15353 2 Dinesh Sukumaran . . . 15353 3 Yibing Wu . . . 15353 4 Kiran Singarapu . . . 15353 5 David Parish . . . 15353 6 Duanxiang Xu . . . 15353 7 Dongyan Wang . . . 15353 8 Chioma Nwosu . . . 15353 9 Kellie Cunningham . . . 15353 10 Rong Xiao . . . 15353 11 Jinfeng Liu . . . 15353 12 Michael Baran . C. . 15353 13 Gurla Swapna . V.T. . 15353 14 Thomas Acton . B. . 15353 15 Burkhard Rost . . . 15353 16 Gaetano Montelione . T. . 15353 17 Thomas Szyperski . . . 15353 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15353 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID beta . 15353 NESG . 15353 'Northeast Structural Genomics Consortium' . 15353 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15353 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 262 15353 '15N chemical shifts' 65 15353 '1H chemical shifts' 446 15353 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-08-10 2007-06-29 original author . 15353 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JS4 'BMRB Entry Tracking System' 15353 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15353 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Solution Structure of Bordetella bronchiseptica protein BB2007' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proteins: Struct. Funct. Genet.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexander Eletsky . . . 15353 1 2 Thomas Szyperski . . . 15353 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15353 _Assembly.ID 1 _Assembly.Name BoR54 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BoR54 1 $BoR54 A . yes native no no . . . 15353 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BoR54 _Entity.Sf_category entity _Entity.Sf_framecode BoR54 _Entity.Entry_ID 15353 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BoR54 _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 ; MESRLLDILVCPVCKGRLEF QRAQAELVCNADRLAFPVRD GVPIMLEAEARSLDAEAPAQ PSLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'C-terminal His-tag LEHHHHHH' _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JS4 . "Solution Nmr Structure Of Bordetella Bronchiseptica Protein Bb2007. Northeast Structural Genomics Consortium Target Bor54" . . . . . 100.00 70 100.00 100.00 2.17e-41 . . . . 15353 1 2 no DBJ BAO68634 . "hypothetical protein BBS798_1908 [Bordetella bronchiseptica]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 3 no EMBL CAE32504 . "conserved hypothetical protein [Bordetella bronchiseptica RB50]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 4 no EMBL CAE37856 . "conserved hypothetical protein [Bordetella parapertussis]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 5 no EMBL CAE43042 . "conserved hypothetical protein [Bordetella pertussis Tohama I]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 6 no EMBL CCJ49220 . "conserved hypothetical protein [Bordetella parapertussis Bpp5]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 7 no EMBL CCJ53426 . "conserved hypothetical protein [Bordetella bronchiseptica 253]" . . . . . 88.57 62 98.39 98.39 1.28e-34 . . . . 15353 1 8 no GB AEE67977 . "hypothetical protein BPTD_2723 [Bordetella pertussis CS]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 9 no GB AIW91550 . "hypothetical protein B1917_1085 [Bordetella pertussis B1917]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 10 no GB AIW96536 . "hypothetical protein B1920_2781 [Bordetella pertussis B1920]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 11 no GB AJB27190 . "hypothetical protein Q425_26090 [Bordetella pertussis 137]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 12 no GB ALH48601 . "hypothetical protein B1838_1087 [Bordetella pertussis]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 13 no REF NP_881371 . "hypothetical protein BP2767 [Bordetella pertussis Tohama I]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 14 no REF WP_003812895 . "MULTISPECIES: hypothetical protein [Bordetella]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 15 no REF WP_015064092 . "hypothetical protein [Bordetella bronchiseptica]" . . . . . 88.57 62 98.39 98.39 1.28e-34 . . . . 15353 1 16 no REF WP_057688422 . "hypothetical protein [Bordetella pertussis]" . . . . . 62.86 60 100.00 100.00 6.65e-21 . . . . 15353 1 17 no REF YP_006895834 . "hypothetical protein BN117_1887 [Bordetella parapertussis Bpp5]" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 18 no SP Q7VVB1 . "RecName: Full=UPF0434 protein BP2767" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 19 no SP Q7W7F8 . "RecName: Full=UPF0434 protein BPP2562" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 20 no SP Q7WKU6 . "RecName: Full=UPF0434 protein BB2007" . . . . . 88.57 62 100.00 100.00 4.62e-35 . . . . 15353 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15353 1 2 . GLU . 15353 1 3 . SER . 15353 1 4 . ARG . 15353 1 5 . LEU . 15353 1 6 . LEU . 15353 1 7 . ASP . 15353 1 8 . ILE . 15353 1 9 . LEU . 15353 1 10 . VAL . 15353 1 11 . CYS . 15353 1 12 . PRO . 15353 1 13 . VAL . 15353 1 14 . CYS . 15353 1 15 . LYS . 15353 1 16 . GLY . 15353 1 17 . ARG . 15353 1 18 . LEU . 15353 1 19 . GLU . 15353 1 20 . PHE . 15353 1 21 . GLN . 15353 1 22 . ARG . 15353 1 23 . ALA . 15353 1 24 . GLN . 15353 1 25 . ALA . 15353 1 26 . GLU . 15353 1 27 . LEU . 15353 1 28 . VAL . 15353 1 29 . CYS . 15353 1 30 . ASN . 15353 1 31 . ALA . 15353 1 32 . ASP . 15353 1 33 . ARG . 15353 1 34 . LEU . 15353 1 35 . ALA . 15353 1 36 . PHE . 15353 1 37 . PRO . 15353 1 38 . VAL . 15353 1 39 . ARG . 15353 1 40 . ASP . 15353 1 41 . GLY . 15353 1 42 . VAL . 15353 1 43 . PRO . 15353 1 44 . ILE . 15353 1 45 . MET . 15353 1 46 . LEU . 15353 1 47 . GLU . 15353 1 48 . ALA . 15353 1 49 . GLU . 15353 1 50 . ALA . 15353 1 51 . ARG . 15353 1 52 . SER . 15353 1 53 . LEU . 15353 1 54 . ASP . 15353 1 55 . ALA . 15353 1 56 . GLU . 15353 1 57 . ALA . 15353 1 58 . PRO . 15353 1 59 . ALA . 15353 1 60 . GLN . 15353 1 61 . PRO . 15353 1 62 . SER . 15353 1 63 . LEU . 15353 1 64 . GLU . 15353 1 65 . HIS . 15353 1 66 . HIS . 15353 1 67 . HIS . 15353 1 68 . HIS . 15353 1 69 . HIS . 15353 1 70 . HIS . 15353 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15353 1 . GLU 2 2 15353 1 . SER 3 3 15353 1 . ARG 4 4 15353 1 . LEU 5 5 15353 1 . LEU 6 6 15353 1 . ASP 7 7 15353 1 . ILE 8 8 15353 1 . LEU 9 9 15353 1 . VAL 10 10 15353 1 . CYS 11 11 15353 1 . PRO 12 12 15353 1 . VAL 13 13 15353 1 . CYS 14 14 15353 1 . LYS 15 15 15353 1 . GLY 16 16 15353 1 . ARG 17 17 15353 1 . LEU 18 18 15353 1 . GLU 19 19 15353 1 . PHE 20 20 15353 1 . GLN 21 21 15353 1 . ARG 22 22 15353 1 . ALA 23 23 15353 1 . GLN 24 24 15353 1 . ALA 25 25 15353 1 . GLU 26 26 15353 1 . LEU 27 27 15353 1 . VAL 28 28 15353 1 . CYS 29 29 15353 1 . ASN 30 30 15353 1 . ALA 31 31 15353 1 . ASP 32 32 15353 1 . ARG 33 33 15353 1 . LEU 34 34 15353 1 . ALA 35 35 15353 1 . PHE 36 36 15353 1 . PRO 37 37 15353 1 . VAL 38 38 15353 1 . ARG 39 39 15353 1 . ASP 40 40 15353 1 . GLY 41 41 15353 1 . VAL 42 42 15353 1 . PRO 43 43 15353 1 . ILE 44 44 15353 1 . MET 45 45 15353 1 . LEU 46 46 15353 1 . GLU 47 47 15353 1 . ALA 48 48 15353 1 . GLU 49 49 15353 1 . ALA 50 50 15353 1 . ARG 51 51 15353 1 . SER 52 52 15353 1 . LEU 53 53 15353 1 . ASP 54 54 15353 1 . ALA 55 55 15353 1 . GLU 56 56 15353 1 . ALA 57 57 15353 1 . PRO 58 58 15353 1 . ALA 59 59 15353 1 . GLN 60 60 15353 1 . PRO 61 61 15353 1 . SER 62 62 15353 1 . LEU 63 63 15353 1 . GLU 64 64 15353 1 . HIS 65 65 15353 1 . HIS 66 66 15353 1 . HIS 67 67 15353 1 . HIS 68 68 15353 1 . HIS 69 69 15353 1 . HIS 70 70 15353 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 15353 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BoR54 . 518 organism . 'Bordetella bronchiseptica' . . . Bacteria . Bordetella bronchiseptica . . . . . . . . . . . . . . . . BB2007 . . . . 15353 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 15353 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BoR54 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli XL10 . . . . . . . . . . . . . . . pET21 . . . . . . 15353 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 15353 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100%N15 100%C13' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 BoR54 '[U-100% 13C; U-100% 15N]' . . 1 $BoR54 . . 1.3 . . mM . . . . 15353 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15353 1 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15353 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15353 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15353 1 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15353 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15353 1 8 D2O . . . . . . . 5 . . % . . . . 15353 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 15353 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100%N15 5%C13' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 BoR54 '[U-5% 13C; U-100% 15N]' . . 1 $BoR54 . . 0.8 . . mM . . . . 15353 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15353 2 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15353 2 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15353 2 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15353 2 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15353 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15353 2 8 D2O . . . . . . . 5 . . % . . . . 15353 2 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 15353 _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' 0.115 . M 15353 1 pH 6.5 . pH 15353 1 pressure 1 . atm 15353 1 temperature 298 . K 15353 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15353 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15353 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15353 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15353 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15353 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15353 2 processing 15353 2 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 15353 _Software.ID 3 _Software.Name PROSA _Software.Version 6.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 15353 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15353 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15353 _Software.ID 4 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R. Keller' . . 15353 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15353 4 'data analysis' 15353 4 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 15353 _Software.ID 5 _Software.Name CSI _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brian Sykes' . . 15353 5 'David Wishart' . . 15353 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15353 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15353 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15353 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15353 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15353 _Software.ID 7 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15353 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15353 7 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15353 _Software.ID 8 _Software.Name AutoStruct _Software.Version 2.0.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15353 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15353 8 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15353 _Software.ID 9 _Software.Name AutoAssign _Software.Version 1.15.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15353 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15353 9 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 15353 _Software.ID 10 _Software.Name CNSSOLVE _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15353 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15353 10 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 15353 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750 _NMR_spectrometer.Entry_ID 15353 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 15353 _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 1 800 Bruker Avance . 800 . . . 15353 1 2 750 Varian INOVA . 750 . . . 15353 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 15353 _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 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 15353 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 15353 1 3 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 15353 1 4 '3D HNCACB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 15353 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 15353 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 15353 1 7 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 15353 1 8 '3D (H)CCH-COSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 15353 1 9 '3D 1H-13C,15N NOESY' yes . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 15353 1 10 '3D (H)CCH-COSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $750 . . . . . . . . . . . . . . . . 15353 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $750 . . . . . . . . . . . . . . . . 15353 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 15353 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15353 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15353 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15353 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 15353 _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' . . . 15353 1 2 '2D 1H-13C HSQC' . . . 15353 1 3 '3D HNCO' . . . 15353 1 4 '3D HNCACB' . . . 15353 1 5 '3D CBCA(CO)NH' . . . 15353 1 6 '3D HBHA(CO)NH' . . . 15353 1 7 '3D (H)CCH-TOCSY' . . . 15353 1 8 '3D (H)CCH-COSY' . . . 15353 1 9 '3D 1H-13C,15N NOESY' . . . 15353 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CARA . . 15353 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.537 0.02 . 1 . . . . 1 MET HA . 15353 1 2 . 1 1 1 1 MET HB2 H 1 2.652 0.02 . 2 . . . . 1 MET HB2 . 15353 1 3 . 1 1 1 1 MET HB3 H 1 2.652 0.02 . 2 . . . . 1 MET HB3 . 15353 1 4 . 1 1 1 1 MET C C 13 176.533 0.1 . 1 . . . . 1 MET C . 15353 1 5 . 1 1 1 1 MET CA C 13 54.666 0.1 . 1 . . . . 1 MET CA . 15353 1 6 . 1 1 1 1 MET CB C 13 40.858 0.1 . 1 . . . . 1 MET CB . 15353 1 7 . 1 1 2 2 GLU H H 1 8.016 0.02 . 1 . . . . 2 GLU H . 15353 1 8 . 1 1 2 2 GLU HA H 1 4.400 0.02 . 1 . . . . 2 GLU HA . 15353 1 9 . 1 1 2 2 GLU HB2 H 1 1.963 0.02 . 2 . . . . 2 GLU HB2 . 15353 1 10 . 1 1 2 2 GLU HB3 H 1 2.119 0.02 . 2 . . . . 2 GLU HB3 . 15353 1 11 . 1 1 2 2 GLU HG2 H 1 2.285 0.02 . 2 . . . . 2 GLU HG2 . 15353 1 12 . 1 1 2 2 GLU HG3 H 1 2.285 0.02 . 2 . . . . 2 GLU HG3 . 15353 1 13 . 1 1 2 2 GLU C C 13 176.388 0.1 . 1 . . . . 2 GLU C . 15353 1 14 . 1 1 2 2 GLU CA C 13 56.307 0.1 . 1 . . . . 2 GLU CA . 15353 1 15 . 1 1 2 2 GLU CB C 13 30.354 0.1 . 1 . . . . 2 GLU CB . 15353 1 16 . 1 1 2 2 GLU CG C 13 36.235 0.1 . 1 . . . . 2 GLU CG . 15353 1 17 . 1 1 2 2 GLU N N 15 120.226 0.1 . 1 . . . . 2 GLU N . 15353 1 18 . 1 1 3 3 SER H H 1 8.676 0.02 . 1 . . . . 3 SER H . 15353 1 19 . 1 1 3 3 SER HA H 1 4.292 0.02 . 1 . . . . 3 SER HA . 15353 1 20 . 1 1 3 3 SER HB2 H 1 3.874 0.02 . 2 . . . . 3 SER HB2 . 15353 1 21 . 1 1 3 3 SER HB3 H 1 3.874 0.02 . 2 . . . . 3 SER HB3 . 15353 1 22 . 1 1 3 3 SER C C 13 175.317 0.1 . 1 . . . . 3 SER C . 15353 1 23 . 1 1 3 3 SER CA C 13 59.691 0.1 . 1 . . . . 3 SER CA . 15353 1 24 . 1 1 3 3 SER CB C 13 63.358 0.1 . 1 . . . . 3 SER CB . 15353 1 25 . 1 1 3 3 SER N N 15 119.040 0.1 . 1 . . . . 3 SER N . 15353 1 26 . 1 1 4 4 ARG H H 1 8.578 0.02 . 1 . . . . 4 ARG H . 15353 1 27 . 1 1 4 4 ARG HA H 1 4.431 0.02 . 1 . . . . 4 ARG HA . 15353 1 28 . 1 1 4 4 ARG HB2 H 1 1.880 0.02 . 2 . . . . 4 ARG HB2 . 15353 1 29 . 1 1 4 4 ARG HB3 H 1 1.821 0.02 . 2 . . . . 4 ARG HB3 . 15353 1 30 . 1 1 4 4 ARG HD2 H 1 3.200 0.02 . 2 . . . . 4 ARG HD2 . 15353 1 31 . 1 1 4 4 ARG HD3 H 1 3.200 0.02 . 2 . . . . 4 ARG HD3 . 15353 1 32 . 1 1 4 4 ARG HG2 H 1 1.624 0.02 . 2 . . . . 4 ARG HG2 . 15353 1 33 . 1 1 4 4 ARG HG3 H 1 1.624 0.02 . 2 . . . . 4 ARG HG3 . 15353 1 34 . 1 1 4 4 ARG CA C 13 57.094 0.1 . 1 . . . . 4 ARG CA . 15353 1 35 . 1 1 4 4 ARG CB C 13 30.227 0.1 . 1 . . . . 4 ARG CB . 15353 1 36 . 1 1 4 4 ARG CD C 13 43.202 0.1 . 1 . . . . 4 ARG CD . 15353 1 37 . 1 1 4 4 ARG CG C 13 27.031 0.1 . 1 . . . . 4 ARG CG . 15353 1 38 . 1 1 4 4 ARG N N 15 122.380 0.1 . 1 . . . . 4 ARG N . 15353 1 39 . 1 1 6 6 LEU H H 1 7.812 0.02 . 1 . . . . 6 LEU H . 15353 1 40 . 1 1 6 6 LEU HA H 1 4.095 0.02 . 1 . . . . 6 LEU HA . 15353 1 41 . 1 1 6 6 LEU HB2 H 1 1.477 0.02 . 2 . . . . 6 LEU HB2 . 15353 1 42 . 1 1 6 6 LEU HB3 H 1 1.614 0.02 . 2 . . . . 6 LEU HB3 . 15353 1 43 . 1 1 6 6 LEU HD11 H 1 0.742 0.02 . 1 . . . . 6 LEU HD1 . 15353 1 44 . 1 1 6 6 LEU HD12 H 1 0.742 0.02 . 1 . . . . 6 LEU HD1 . 15353 1 45 . 1 1 6 6 LEU HD13 H 1 0.742 0.02 . 1 . . . . 6 LEU HD1 . 15353 1 46 . 1 1 6 6 LEU HD21 H 1 0.684 0.02 . 1 . . . . 6 LEU HD2 . 15353 1 47 . 1 1 6 6 LEU HD22 H 1 0.684 0.02 . 1 . . . . 6 LEU HD2 . 15353 1 48 . 1 1 6 6 LEU HD23 H 1 0.684 0.02 . 1 . . . . 6 LEU HD2 . 15353 1 49 . 1 1 6 6 LEU HG H 1 1.549 0.02 . 1 . . . . 6 LEU HG . 15353 1 50 . 1 1 6 6 LEU CA C 13 56.035 0.1 . 1 . . . . 6 LEU CA . 15353 1 51 . 1 1 6 6 LEU CB C 13 41.575 0.1 . 1 . . . . 6 LEU CB . 15353 1 52 . 1 1 6 6 LEU CD1 C 13 25.035 0.1 . 1 . . . . 6 LEU CD1 . 15353 1 53 . 1 1 6 6 LEU CD2 C 13 23.444 0.1 . 1 . . . . 6 LEU CD2 . 15353 1 54 . 1 1 6 6 LEU CG C 13 27.000 0.1 . 1 . . . . 6 LEU CG . 15353 1 55 . 1 1 6 6 LEU N N 15 118.025 0.1 . 1 . . . . 6 LEU N . 15353 1 56 . 1 1 7 7 ASP H H 1 7.788 0.02 . 1 . . . . 7 ASP H . 15353 1 57 . 1 1 7 7 ASP HA H 1 4.582 0.02 . 1 . . . . 7 ASP HA . 15353 1 58 . 1 1 7 7 ASP HB2 H 1 2.722 0.02 . 2 . . . . 7 ASP HB2 . 15353 1 59 . 1 1 7 7 ASP HB3 H 1 2.722 0.02 . 2 . . . . 7 ASP HB3 . 15353 1 60 . 1 1 7 7 ASP CA C 13 55.416 0.1 . 1 . . . . 7 ASP CA . 15353 1 61 . 1 1 7 7 ASP CB C 13 41.393 0.1 . 1 . . . . 7 ASP CB . 15353 1 62 . 1 1 7 7 ASP N N 15 116.751 0.1 . 1 . . . . 7 ASP N . 15353 1 63 . 1 1 8 8 ILE H H 1 7.464 0.02 . 1 . . . . 8 ILE H . 15353 1 64 . 1 1 8 8 ILE HA H 1 4.338 0.02 . 1 . . . . 8 ILE HA . 15353 1 65 . 1 1 8 8 ILE HB H 1 1.947 0.02 . 1 . . . . 8 ILE HB . 15353 1 66 . 1 1 8 8 ILE HD11 H 1 0.826 0.02 . 1 . . . . 8 ILE HD1 . 15353 1 67 . 1 1 8 8 ILE HD12 H 1 0.826 0.02 . 1 . . . . 8 ILE HD1 . 15353 1 68 . 1 1 8 8 ILE HD13 H 1 0.826 0.02 . 1 . . . . 8 ILE HD1 . 15353 1 69 . 1 1 8 8 ILE HG12 H 1 1.200 0.02 . 2 . . . . 8 ILE HG12 . 15353 1 70 . 1 1 8 8 ILE HG13 H 1 1.393 0.02 . 2 . . . . 8 ILE HG13 . 15353 1 71 . 1 1 8 8 ILE HG21 H 1 0.857 0.02 . 1 . . . . 8 ILE HG2 . 15353 1 72 . 1 1 8 8 ILE HG22 H 1 0.857 0.02 . 1 . . . . 8 ILE HG2 . 15353 1 73 . 1 1 8 8 ILE HG23 H 1 0.857 0.02 . 1 . . . . 8 ILE HG2 . 15353 1 74 . 1 1 8 8 ILE CA C 13 60.983 0.1 . 1 . . . . 8 ILE CA . 15353 1 75 . 1 1 8 8 ILE CB C 13 39.137 0.1 . 1 . . . . 8 ILE CB . 15353 1 76 . 1 1 8 8 ILE CD1 C 13 13.500 0.1 . 1 . . . . 8 ILE CD1 . 15353 1 77 . 1 1 8 8 ILE CG1 C 13 26.902 0.1 . 1 . . . . 8 ILE CG1 . 15353 1 78 . 1 1 8 8 ILE CG2 C 13 17.742 0.1 . 1 . . . . 8 ILE CG2 . 15353 1 79 . 1 1 8 8 ILE N N 15 114.842 0.1 . 1 . . . . 8 ILE N . 15353 1 80 . 1 1 9 9 LEU H H 1 7.854 0.02 . 1 . . . . 9 LEU H . 15353 1 81 . 1 1 9 9 LEU HA H 1 4.397 0.02 . 1 . . . . 9 LEU HA . 15353 1 82 . 1 1 9 9 LEU HB2 H 1 1.636 0.02 . 1 . . . . 9 LEU HB2 . 15353 1 83 . 1 1 9 9 LEU HB3 H 1 1.249 0.02 . 1 . . . . 9 LEU HB3 . 15353 1 84 . 1 1 9 9 LEU HD11 H 1 0.771 0.02 . 1 . . . . 9 LEU HD1 . 15353 1 85 . 1 1 9 9 LEU HD12 H 1 0.771 0.02 . 1 . . . . 9 LEU HD1 . 15353 1 86 . 1 1 9 9 LEU HD13 H 1 0.771 0.02 . 1 . . . . 9 LEU HD1 . 15353 1 87 . 1 1 9 9 LEU HD21 H 1 0.766 0.02 . 1 . . . . 9 LEU HD2 . 15353 1 88 . 1 1 9 9 LEU HD22 H 1 0.766 0.02 . 1 . . . . 9 LEU HD2 . 15353 1 89 . 1 1 9 9 LEU HD23 H 1 0.766 0.02 . 1 . . . . 9 LEU HD2 . 15353 1 90 . 1 1 9 9 LEU HG H 1 1.707 0.02 . 1 . . . . 9 LEU HG . 15353 1 91 . 1 1 9 9 LEU C C 13 176.017 0.1 . 1 . . . . 9 LEU C . 15353 1 92 . 1 1 9 9 LEU CA C 13 54.544 0.1 . 1 . . . . 9 LEU CA . 15353 1 93 . 1 1 9 9 LEU CB C 13 42.869 0.1 . 1 . . . . 9 LEU CB . 15353 1 94 . 1 1 9 9 LEU CD1 C 13 26.248 0.1 . 1 . . . . 9 LEU CD1 . 15353 1 95 . 1 1 9 9 LEU CD2 C 13 23.227 0.1 . 1 . . . . 9 LEU CD2 . 15353 1 96 . 1 1 9 9 LEU CG C 13 26.440 0.1 . 1 . . . . 9 LEU CG . 15353 1 97 . 1 1 10 10 VAL H H 1 7.601 0.02 . 1 . . . . 10 VAL H . 15353 1 98 . 1 1 10 10 VAL HA H 1 4.568 0.02 . 1 . . . . 10 VAL HA . 15353 1 99 . 1 1 10 10 VAL HB H 1 1.776 0.02 . 1 . . . . 10 VAL HB . 15353 1 100 . 1 1 10 10 VAL HG11 H 1 0.683 0.02 . 1 . . . . 10 VAL HG1 . 15353 1 101 . 1 1 10 10 VAL HG12 H 1 0.683 0.02 . 1 . . . . 10 VAL HG1 . 15353 1 102 . 1 1 10 10 VAL HG13 H 1 0.683 0.02 . 1 . . . . 10 VAL HG1 . 15353 1 103 . 1 1 10 10 VAL HG21 H 1 0.640 0.02 . 1 . . . . 10 VAL HG2 . 15353 1 104 . 1 1 10 10 VAL HG22 H 1 0.640 0.02 . 1 . . . . 10 VAL HG2 . 15353 1 105 . 1 1 10 10 VAL HG23 H 1 0.640 0.02 . 1 . . . . 10 VAL HG2 . 15353 1 106 . 1 1 10 10 VAL C C 13 174.740 0.1 . 1 . . . . 10 VAL C . 15353 1 107 . 1 1 10 10 VAL CA C 13 58.697 0.1 . 1 . . . . 10 VAL CA . 15353 1 108 . 1 1 10 10 VAL CB C 13 34.858 0.1 . 1 . . . . 10 VAL CB . 15353 1 109 . 1 1 10 10 VAL CG1 C 13 21.379 0.1 . 1 . . . . 10 VAL CG1 . 15353 1 110 . 1 1 10 10 VAL CG2 C 13 18.488 0.1 . 1 . . . . 10 VAL CG2 . 15353 1 111 . 1 1 10 10 VAL N N 15 115.113 0.1 . 1 . . . . 10 VAL N . 15353 1 112 . 1 1 11 11 CYS H H 1 9.030 0.02 . 1 . . . . 11 CYS H . 15353 1 113 . 1 1 11 11 CYS HA H 1 4.064 0.02 . 1 . . . . 11 CYS HA . 15353 1 114 . 1 1 11 11 CYS HB2 H 1 2.548 0.02 . 2 . . . . 11 CYS HB2 . 15353 1 115 . 1 1 11 11 CYS HB3 H 1 3.180 0.02 . 2 . . . . 11 CYS HB3 . 15353 1 116 . 1 1 11 11 CYS CA C 13 56.774 0.1 . 1 . . . . 11 CYS CA . 15353 1 117 . 1 1 11 11 CYS CB C 13 30.690 0.1 . 1 . . . . 11 CYS CB . 15353 1 118 . 1 1 11 11 CYS N N 15 125.830 0.1 . 1 . . . . 11 CYS N . 15353 1 119 . 1 1 12 12 PRO HA H 1 4.387 0.02 . 1 . . . . 12 PRO HA . 15353 1 120 . 1 1 12 12 PRO HB2 H 1 2.016 0.02 . 2 . . . . 12 PRO HB2 . 15353 1 121 . 1 1 12 12 PRO HB3 H 1 2.287 0.02 . 2 . . . . 12 PRO HB3 . 15353 1 122 . 1 1 12 12 PRO HD2 H 1 3.781 0.02 . 2 . . . . 12 PRO HD2 . 15353 1 123 . 1 1 12 12 PRO HD3 H 1 3.253 0.02 . 2 . . . . 12 PRO HD3 . 15353 1 124 . 1 1 12 12 PRO HG2 H 1 1.727 0.02 . 2 . . . . 12 PRO HG2 . 15353 1 125 . 1 1 12 12 PRO HG3 H 1 1.727 0.02 . 2 . . . . 12 PRO HG3 . 15353 1 126 . 1 1 12 12 PRO C C 13 177.006 0.1 . 1 . . . . 12 PRO C . 15353 1 127 . 1 1 12 12 PRO CA C 13 64.188 0.1 . 1 . . . . 12 PRO CA . 15353 1 128 . 1 1 12 12 PRO CB C 13 32.047 0.1 . 1 . . . . 12 PRO CB . 15353 1 129 . 1 1 12 12 PRO CD C 13 50.378 0.1 . 1 . . . . 12 PRO CD . 15353 1 130 . 1 1 12 12 PRO CG C 13 27.328 0.1 . 1 . . . . 12 PRO CG . 15353 1 131 . 1 1 13 13 VAL H H 1 9.158 0.02 . 1 . . . . 13 VAL H . 15353 1 132 . 1 1 13 13 VAL HA H 1 3.883 0.02 . 1 . . . . 13 VAL HA . 15353 1 133 . 1 1 13 13 VAL HB H 1 2.297 0.02 . 1 . . . . 13 VAL HB . 15353 1 134 . 1 1 13 13 VAL HG11 H 1 0.841 0.02 . 1 . . . . 13 VAL HG1 . 15353 1 135 . 1 1 13 13 VAL HG12 H 1 0.841 0.02 . 1 . . . . 13 VAL HG1 . 15353 1 136 . 1 1 13 13 VAL HG13 H 1 0.841 0.02 . 1 . . . . 13 VAL HG1 . 15353 1 137 . 1 1 13 13 VAL HG21 H 1 0.897 0.02 . 1 . . . . 13 VAL HG2 . 15353 1 138 . 1 1 13 13 VAL HG22 H 1 0.897 0.02 . 1 . . . . 13 VAL HG2 . 15353 1 139 . 1 1 13 13 VAL HG23 H 1 0.897 0.02 . 1 . . . . 13 VAL HG2 . 15353 1 140 . 1 1 13 13 VAL C C 13 177.355 0.1 . 1 . . . . 13 VAL C . 15353 1 141 . 1 1 13 13 VAL CA C 13 65.570 0.1 . 1 . . . . 13 VAL CA . 15353 1 142 . 1 1 13 13 VAL CB C 13 31.901 0.1 . 1 . . . . 13 VAL CB . 15353 1 143 . 1 1 13 13 VAL CG1 C 13 21.353 0.1 . 1 . . . . 13 VAL CG1 . 15353 1 144 . 1 1 13 13 VAL CG2 C 13 21.294 0.1 . 1 . . . . 13 VAL CG2 . 15353 1 145 . 1 1 13 13 VAL N N 15 123.786 0.1 . 1 . . . . 13 VAL N . 15353 1 146 . 1 1 14 14 CYS H H 1 8.105 0.02 . 1 . . . . 14 CYS H . 15353 1 147 . 1 1 14 14 CYS HA H 1 4.854 0.02 . 1 . . . . 14 CYS HA . 15353 1 148 . 1 1 14 14 CYS HB2 H 1 3.031 0.02 . 2 . . . . 14 CYS HB2 . 15353 1 149 . 1 1 14 14 CYS HB3 H 1 3.345 0.02 . 2 . . . . 14 CYS HB3 . 15353 1 150 . 1 1 14 14 CYS C C 13 177.089 0.1 . 1 . . . . 14 CYS C . 15353 1 151 . 1 1 14 14 CYS CA C 13 58.828 0.1 . 1 . . . . 14 CYS CA . 15353 1 152 . 1 1 14 14 CYS CB C 13 31.148 0.1 . 1 . . . . 14 CYS CB . 15353 1 153 . 1 1 14 14 CYS N N 15 117.692 0.1 . 1 . . . . 14 CYS N . 15353 1 154 . 1 1 15 15 LYS H H 1 8.118 0.02 . 1 . . . . 15 LYS H . 15353 1 155 . 1 1 15 15 LYS HA H 1 4.222 0.02 . 1 . . . . 15 LYS HA . 15353 1 156 . 1 1 15 15 LYS HB2 H 1 1.994 0.02 . 2 . . . . 15 LYS HB2 . 15353 1 157 . 1 1 15 15 LYS HB3 H 1 2.208 0.02 . 2 . . . . 15 LYS HB3 . 15353 1 158 . 1 1 15 15 LYS HD2 H 1 1.661 0.02 . 2 . . . . 15 LYS HD2 . 15353 1 159 . 1 1 15 15 LYS HD3 H 1 1.520 0.02 . 2 . . . . 15 LYS HD3 . 15353 1 160 . 1 1 15 15 LYS HE2 H 1 2.937 0.02 . 2 . . . . 15 LYS HE2 . 15353 1 161 . 1 1 15 15 LYS HE3 H 1 2.937 0.02 . 2 . . . . 15 LYS HE3 . 15353 1 162 . 1 1 15 15 LYS HG2 H 1 1.392 0.02 . 2 . . . . 15 LYS HG2 . 15353 1 163 . 1 1 15 15 LYS HG3 H 1 1.240 0.02 . 2 . . . . 15 LYS HG3 . 15353 1 164 . 1 1 15 15 LYS C C 13 175.626 0.1 . 1 . . . . 15 LYS C . 15353 1 165 . 1 1 15 15 LYS CA C 13 57.522 0.1 . 1 . . . . 15 LYS CA . 15353 1 166 . 1 1 15 15 LYS CB C 13 28.598 0.1 . 1 . . . . 15 LYS CB . 15353 1 167 . 1 1 15 15 LYS CD C 13 28.385 0.1 . 1 . . . . 15 LYS CD . 15353 1 168 . 1 1 15 15 LYS CE C 13 42.573 0.1 . 1 . . . . 15 LYS CE . 15353 1 169 . 1 1 15 15 LYS CG C 13 25.163 0.1 . 1 . . . . 15 LYS CG . 15353 1 170 . 1 1 15 15 LYS N N 15 118.410 0.1 . 1 . . . . 15 LYS N . 15353 1 171 . 1 1 16 16 GLY H H 1 9.361 0.02 . 1 . . . . 16 GLY H . 15353 1 172 . 1 1 16 16 GLY HA2 H 1 4.230 0.02 . 1 . . . . 16 GLY HA2 . 15353 1 173 . 1 1 16 16 GLY HA3 H 1 3.954 0.02 . 1 . . . . 16 GLY HA3 . 15353 1 174 . 1 1 16 16 GLY C C 13 173.050 0.1 . 1 . . . . 16 GLY C . 15353 1 175 . 1 1 16 16 GLY CA C 13 43.248 0.1 . 1 . . . . 16 GLY CA . 15353 1 176 . 1 1 16 16 GLY N N 15 112.351 0.1 . 1 . . . . 16 GLY N . 15353 1 177 . 1 1 17 17 ARG H H 1 8.201 0.02 . 1 . . . . 17 ARG H . 15353 1 178 . 1 1 17 17 ARG HA H 1 4.378 0.02 . 1 . . . . 17 ARG HA . 15353 1 179 . 1 1 17 17 ARG HB2 H 1 1.841 0.02 . 2 . . . . 17 ARG HB2 . 15353 1 180 . 1 1 17 17 ARG HB3 H 1 1.841 0.02 . 2 . . . . 17 ARG HB3 . 15353 1 181 . 1 1 17 17 ARG HD2 H 1 3.251 0.02 . 2 . . . . 17 ARG HD2 . 15353 1 182 . 1 1 17 17 ARG HD3 H 1 3.251 0.02 . 2 . . . . 17 ARG HD3 . 15353 1 183 . 1 1 17 17 ARG HG2 H 1 1.758 0.02 . 2 . . . . 17 ARG HG2 . 15353 1 184 . 1 1 17 17 ARG HG3 H 1 1.758 0.02 . 2 . . . . 17 ARG HG3 . 15353 1 185 . 1 1 17 17 ARG C C 13 176.903 0.1 . 1 . . . . 17 ARG C . 15353 1 186 . 1 1 17 17 ARG CA C 13 56.443 0.1 . 1 . . . . 17 ARG CA . 15353 1 187 . 1 1 17 17 ARG CB C 13 30.890 0.1 . 1 . . . . 17 ARG CB . 15353 1 188 . 1 1 17 17 ARG CD C 13 43.274 0.1 . 1 . . . . 17 ARG CD . 15353 1 189 . 1 1 17 17 ARG CG C 13 27.316 0.1 . 1 . . . . 17 ARG CG . 15353 1 190 . 1 1 17 17 ARG N N 15 117.281 0.1 . 1 . . . . 17 ARG N . 15353 1 191 . 1 1 18 18 LEU H H 1 8.744 0.02 . 1 . . . . 18 LEU H . 15353 1 192 . 1 1 18 18 LEU HA H 1 4.834 0.02 . 1 . . . . 18 LEU HA . 15353 1 193 . 1 1 18 18 LEU HB2 H 1 1.627 0.02 . 1 . . . . 18 LEU HB2 . 15353 1 194 . 1 1 18 18 LEU HB3 H 1 1.168 0.02 . 1 . . . . 18 LEU HB3 . 15353 1 195 . 1 1 18 18 LEU HD11 H 1 0.545 0.02 . 1 . . . . 18 LEU HD1 . 15353 1 196 . 1 1 18 18 LEU HD12 H 1 0.545 0.02 . 1 . . . . 18 LEU HD1 . 15353 1 197 . 1 1 18 18 LEU HD13 H 1 0.545 0.02 . 1 . . . . 18 LEU HD1 . 15353 1 198 . 1 1 18 18 LEU HD21 H 1 0.795 0.02 . 1 . . . . 18 LEU HD2 . 15353 1 199 . 1 1 18 18 LEU HD22 H 1 0.795 0.02 . 1 . . . . 18 LEU HD2 . 15353 1 200 . 1 1 18 18 LEU HD23 H 1 0.795 0.02 . 1 . . . . 18 LEU HD2 . 15353 1 201 . 1 1 18 18 LEU HG H 1 1.524 0.02 . 1 . . . . 18 LEU HG . 15353 1 202 . 1 1 18 18 LEU C C 13 175.976 0.1 . 1 . . . . 18 LEU C . 15353 1 203 . 1 1 18 18 LEU CA C 13 53.183 0.1 . 1 . . . . 18 LEU CA . 15353 1 204 . 1 1 18 18 LEU CB C 13 45.131 0.1 . 1 . . . . 18 LEU CB . 15353 1 205 . 1 1 18 18 LEU CD1 C 13 26.780 0.1 . 1 . . . . 18 LEU CD1 . 15353 1 206 . 1 1 18 18 LEU CD2 C 13 24.288 0.1 . 1 . . . . 18 LEU CD2 . 15353 1 207 . 1 1 18 18 LEU CG C 13 27.075 0.1 . 1 . . . . 18 LEU CG . 15353 1 208 . 1 1 18 18 LEU N N 15 123.970 0.1 . 1 . . . . 18 LEU N . 15353 1 209 . 1 1 19 19 GLU H H 1 8.684 0.02 . 1 . . . . 19 GLU H . 15353 1 210 . 1 1 19 19 GLU HA H 1 4.722 0.02 . 1 . . . . 19 GLU HA . 15353 1 211 . 1 1 19 19 GLU HB2 H 1 1.930 0.02 . 2 . . . . 19 GLU HB2 . 15353 1 212 . 1 1 19 19 GLU HB3 H 1 2.072 0.02 . 2 . . . . 19 GLU HB3 . 15353 1 213 . 1 1 19 19 GLU HG2 H 1 2.165 0.02 . 2 . . . . 19 GLU HG2 . 15353 1 214 . 1 1 19 19 GLU HG3 H 1 2.302 0.02 . 2 . . . . 19 GLU HG3 . 15353 1 215 . 1 1 19 19 GLU C C 13 175.976 0.1 . 1 . . . . 19 GLU C . 15353 1 216 . 1 1 19 19 GLU CA C 13 54.559 0.1 . 1 . . . . 19 GLU CA . 15353 1 217 . 1 1 19 19 GLU CB C 13 32.271 0.1 . 1 . . . . 19 GLU CB . 15353 1 218 . 1 1 19 19 GLU CG C 13 36.218 0.1 . 1 . . . . 19 GLU CG . 15353 1 219 . 1 1 19 19 GLU N N 15 119.626 0.1 . 1 . . . . 19 GLU N . 15353 1 220 . 1 1 20 20 PHE H H 1 9.248 0.02 . 1 . . . . 20 PHE H . 15353 1 221 . 1 1 20 20 PHE HA H 1 5.193 0.02 . 1 . . . . 20 PHE HA . 15353 1 222 . 1 1 20 20 PHE HB2 H 1 2.995 0.02 . 2 . . . . 20 PHE HB2 . 15353 1 223 . 1 1 20 20 PHE HB3 H 1 3.148 0.02 . 2 . . . . 20 PHE HB3 . 15353 1 224 . 1 1 20 20 PHE HD1 H 1 7.156 0.02 . 1 . . . . 20 PHE HD1 . 15353 1 225 . 1 1 20 20 PHE HD2 H 1 7.156 0.02 . 1 . . . . 20 PHE HD2 . 15353 1 226 . 1 1 20 20 PHE HE1 H 1 7.272 0.02 . 1 . . . . 20 PHE HE1 . 15353 1 227 . 1 1 20 20 PHE HE2 H 1 7.272 0.02 . 1 . . . . 20 PHE HE2 . 15353 1 228 . 1 1 20 20 PHE C C 13 174.760 0.1 . 1 . . . . 20 PHE C . 15353 1 229 . 1 1 20 20 PHE CA C 13 56.059 0.1 . 1 . . . . 20 PHE CA . 15353 1 230 . 1 1 20 20 PHE CB C 13 39.360 0.1 . 1 . . . . 20 PHE CB . 15353 1 231 . 1 1 20 20 PHE CD1 C 13 131.109 0.1 . 1 . . . . 20 PHE CD1 . 15353 1 232 . 1 1 20 20 PHE CE1 C 13 129.606 0.1 . 1 . . . . 20 PHE CE1 . 15353 1 233 . 1 1 20 20 PHE N N 15 126.248 0.1 . 1 . . . . 20 PHE N . 15353 1 234 . 1 1 21 21 GLN H H 1 8.833 0.02 . 1 . . . . 21 GLN H . 15353 1 235 . 1 1 21 21 GLN HA H 1 4.477 0.02 . 1 . . . . 21 GLN HA . 15353 1 236 . 1 1 21 21 GLN HB2 H 1 1.839 0.02 . 1 . . . . 21 GLN HB2 . 15353 1 237 . 1 1 21 21 GLN HB3 H 1 2.105 0.02 . 1 . . . . 21 GLN HB3 . 15353 1 238 . 1 1 21 21 GLN HE21 H 1 7.268 0.02 . 2 . . . . 21 GLN HE21 . 15353 1 239 . 1 1 21 21 GLN HE22 H 1 6.756 0.02 . 2 . . . . 21 GLN HE22 . 15353 1 240 . 1 1 21 21 GLN HG2 H 1 2.279 0.02 . 2 . . . . 21 GLN HG2 . 15353 1 241 . 1 1 21 21 GLN HG3 H 1 2.372 0.02 . 2 . . . . 21 GLN HG3 . 15353 1 242 . 1 1 21 21 GLN C C 13 175.337 0.1 . 1 . . . . 21 GLN C . 15353 1 243 . 1 1 21 21 GLN CA C 13 53.888 0.1 . 1 . . . . 21 GLN CA . 15353 1 244 . 1 1 21 21 GLN CB C 13 28.034 0.1 . 1 . . . . 21 GLN CB . 15353 1 245 . 1 1 21 21 GLN CG C 13 33.044 0.1 . 1 . . . . 21 GLN CG . 15353 1 246 . 1 1 21 21 GLN N N 15 129.281 0.1 . 1 . . . . 21 GLN N . 15353 1 247 . 1 1 21 21 GLN NE2 N 15 110.696 0.1 . 1 . . . . 21 GLN NE2 . 15353 1 248 . 1 1 22 22 ARG H H 1 8.038 0.02 . 1 . . . . 22 ARG H . 15353 1 249 . 1 1 22 22 ARG HA H 1 3.288 0.02 . 1 . . . . 22 ARG HA . 15353 1 250 . 1 1 22 22 ARG HB2 H 1 1.608 0.02 . 2 . . . . 22 ARG HB2 . 15353 1 251 . 1 1 22 22 ARG HB3 H 1 1.608 0.02 . 2 . . . . 22 ARG HB3 . 15353 1 252 . 1 1 22 22 ARG HD2 H 1 3.176 0.02 . 2 . . . . 22 ARG HD2 . 15353 1 253 . 1 1 22 22 ARG HD3 H 1 3.176 0.02 . 2 . . . . 22 ARG HD3 . 15353 1 254 . 1 1 22 22 ARG HG2 H 1 1.379 0.02 . 2 . . . . 22 ARG HG2 . 15353 1 255 . 1 1 22 22 ARG HG3 H 1 1.499 0.02 . 2 . . . . 22 ARG HG3 . 15353 1 256 . 1 1 22 22 ARG C C 13 178.428 0.1 . 1 . . . . 22 ARG C . 15353 1 257 . 1 1 22 22 ARG CA C 13 59.149 0.1 . 1 . . . . 22 ARG CA . 15353 1 258 . 1 1 22 22 ARG CB C 13 29.894 0.1 . 1 . . . . 22 ARG CB . 15353 1 259 . 1 1 22 22 ARG CD C 13 43.284 0.1 . 1 . . . . 22 ARG CD . 15353 1 260 . 1 1 22 22 ARG CG C 13 27.098 0.1 . 1 . . . . 22 ARG CG . 15353 1 261 . 1 1 22 22 ARG N N 15 123.829 0.1 . 1 . . . . 22 ARG N . 15353 1 262 . 1 1 23 23 ALA H H 1 8.612 0.02 . 1 . . . . 23 ALA H . 15353 1 263 . 1 1 23 23 ALA HA H 1 4.075 0.02 . 1 . . . . 23 ALA HA . 15353 1 264 . 1 1 23 23 ALA HB1 H 1 1.387 0.02 . 1 . . . . 23 ALA HB . 15353 1 265 . 1 1 23 23 ALA HB2 H 1 1.387 0.02 . 1 . . . . 23 ALA HB . 15353 1 266 . 1 1 23 23 ALA HB3 H 1 1.387 0.02 . 1 . . . . 23 ALA HB . 15353 1 267 . 1 1 23 23 ALA C C 13 178.469 0.1 . 1 . . . . 23 ALA C . 15353 1 268 . 1 1 23 23 ALA CA C 13 54.533 0.1 . 1 . . . . 23 ALA CA . 15353 1 269 . 1 1 23 23 ALA CB C 13 17.718 0.1 . 1 . . . . 23 ALA CB . 15353 1 270 . 1 1 23 23 ALA N N 15 121.091 0.1 . 1 . . . . 23 ALA N . 15353 1 271 . 1 1 24 24 GLN H H 1 7.382 0.02 . 1 . . . . 24 GLN H . 15353 1 272 . 1 1 24 24 GLN HA H 1 4.243 0.02 . 1 . . . . 24 GLN HA . 15353 1 273 . 1 1 24 24 GLN HB2 H 1 1.837 0.02 . 2 . . . . 24 GLN HB2 . 15353 1 274 . 1 1 24 24 GLN HB3 H 1 2.144 0.02 . 2 . . . . 24 GLN HB3 . 15353 1 275 . 1 1 24 24 GLN HE21 H 1 7.545 0.02 . 1 . . . . 24 GLN HE21 . 15353 1 276 . 1 1 24 24 GLN HE22 H 1 6.752 0.02 . 1 . . . . 24 GLN HE22 . 15353 1 277 . 1 1 24 24 GLN HG2 H 1 2.264 0.02 . 2 . . . . 24 GLN HG2 . 15353 1 278 . 1 1 24 24 GLN HG3 H 1 2.264 0.02 . 2 . . . . 24 GLN HG3 . 15353 1 279 . 1 1 24 24 GLN C C 13 174.472 0.1 . 1 . . . . 24 GLN C . 15353 1 280 . 1 1 24 24 GLN CA C 13 55.693 0.1 . 1 . . . . 24 GLN CA . 15353 1 281 . 1 1 24 24 GLN CB C 13 29.368 0.1 . 1 . . . . 24 GLN CB . 15353 1 282 . 1 1 24 24 GLN CG C 13 34.542 0.1 . 1 . . . . 24 GLN CG . 15353 1 283 . 1 1 24 24 GLN N N 15 113.765 0.1 . 1 . . . . 24 GLN N . 15353 1 284 . 1 1 24 24 GLN NE2 N 15 111.288 0.1 . 1 . . . . 24 GLN NE2 . 15353 1 285 . 1 1 25 25 ALA H H 1 7.933 0.02 . 1 . . . . 25 ALA H . 15353 1 286 . 1 1 25 25 ALA HA H 1 3.947 0.02 . 1 . . . . 25 ALA HA . 15353 1 287 . 1 1 25 25 ALA HB1 H 1 1.573 0.02 . 1 . . . . 25 ALA HB . 15353 1 288 . 1 1 25 25 ALA HB2 H 1 1.573 0.02 . 1 . . . . 25 ALA HB . 15353 1 289 . 1 1 25 25 ALA HB3 H 1 1.573 0.02 . 1 . . . . 25 ALA HB . 15353 1 290 . 1 1 25 25 ALA C C 13 175.193 0.1 . 1 . . . . 25 ALA C . 15353 1 291 . 1 1 25 25 ALA CA C 13 53.001 0.1 . 1 . . . . 25 ALA CA . 15353 1 292 . 1 1 25 25 ALA CB C 13 17.208 0.1 . 1 . . . . 25 ALA CB . 15353 1 293 . 1 1 25 25 ALA N N 15 121.876 0.1 . 1 . . . . 25 ALA N . 15353 1 294 . 1 1 26 26 GLU H H 1 7.424 0.02 . 1 . . . . 26 GLU H . 15353 1 295 . 1 1 26 26 GLU HA H 1 5.236 0.02 . 1 . . . . 26 GLU HA . 15353 1 296 . 1 1 26 26 GLU HB2 H 1 1.642 0.02 . 2 . . . . 26 GLU HB2 . 15353 1 297 . 1 1 26 26 GLU HB3 H 1 1.713 0.02 . 2 . . . . 26 GLU HB3 . 15353 1 298 . 1 1 26 26 GLU HG2 H 1 2.027 0.02 . 2 . . . . 26 GLU HG2 . 15353 1 299 . 1 1 26 26 GLU HG3 H 1 2.326 0.02 . 2 . . . . 26 GLU HG3 . 15353 1 300 . 1 1 26 26 GLU C C 13 174.863 0.1 . 1 . . . . 26 GLU C . 15353 1 301 . 1 1 26 26 GLU CA C 13 54.290 0.1 . 1 . . . . 26 GLU CA . 15353 1 302 . 1 1 26 26 GLU CB C 13 35.472 0.1 . 1 . . . . 26 GLU CB . 15353 1 303 . 1 1 26 26 GLU CG C 13 36.597 0.1 . 1 . . . . 26 GLU CG . 15353 1 304 . 1 1 26 26 GLU N N 15 113.883 0.1 . 1 . . . . 26 GLU N . 15353 1 305 . 1 1 27 27 LEU H H 1 9.355 0.02 . 1 . . . . 27 LEU H . 15353 1 306 . 1 1 27 27 LEU HA H 1 5.090 0.02 . 1 . . . . 27 LEU HA . 15353 1 307 . 1 1 27 27 LEU HB2 H 1 1.443 0.02 . 1 . . . . 27 LEU HB2 . 15353 1 308 . 1 1 27 27 LEU HB3 H 1 1.735 0.02 . 1 . . . . 27 LEU HB3 . 15353 1 309 . 1 1 27 27 LEU HD11 H 1 0.731 0.02 . 1 . . . . 27 LEU HD1 . 15353 1 310 . 1 1 27 27 LEU HD12 H 1 0.731 0.02 . 1 . . . . 27 LEU HD1 . 15353 1 311 . 1 1 27 27 LEU HD13 H 1 0.731 0.02 . 1 . . . . 27 LEU HD1 . 15353 1 312 . 1 1 27 27 LEU HD21 H 1 0.705 0.02 . 1 . . . . 27 LEU HD2 . 15353 1 313 . 1 1 27 27 LEU HD22 H 1 0.705 0.02 . 1 . . . . 27 LEU HD2 . 15353 1 314 . 1 1 27 27 LEU HD23 H 1 0.705 0.02 . 1 . . . . 27 LEU HD2 . 15353 1 315 . 1 1 27 27 LEU HG H 1 1.476 0.02 . 1 . . . . 27 LEU HG . 15353 1 316 . 1 1 27 27 LEU C C 13 176.017 0.1 . 1 . . . . 27 LEU C . 15353 1 317 . 1 1 27 27 LEU CA C 13 53.179 0.1 . 1 . . . . 27 LEU CA . 15353 1 318 . 1 1 27 27 LEU CB C 13 44.553 0.1 . 1 . . . . 27 LEU CB . 15353 1 319 . 1 1 27 27 LEU CD1 C 13 27.024 0.1 . 1 . . . . 27 LEU CD1 . 15353 1 320 . 1 1 27 27 LEU CD2 C 13 24.788 0.1 . 1 . . . . 27 LEU CD2 . 15353 1 321 . 1 1 27 27 LEU CG C 13 27.035 0.1 . 1 . . . . 27 LEU CG . 15353 1 322 . 1 1 27 27 LEU N N 15 122.333 0.1 . 1 . . . . 27 LEU N . 15353 1 323 . 1 1 28 28 VAL H H 1 9.444 0.02 . 1 . . . . 28 VAL H . 15353 1 324 . 1 1 28 28 VAL HA H 1 4.893 0.02 . 1 . . . . 28 VAL HA . 15353 1 325 . 1 1 28 28 VAL HB H 1 2.020 0.02 . 1 . . . . 28 VAL HB . 15353 1 326 . 1 1 28 28 VAL HG11 H 1 0.790 0.02 . 1 . . . . 28 VAL HG1 . 15353 1 327 . 1 1 28 28 VAL HG12 H 1 0.790 0.02 . 1 . . . . 28 VAL HG1 . 15353 1 328 . 1 1 28 28 VAL HG13 H 1 0.790 0.02 . 1 . . . . 28 VAL HG1 . 15353 1 329 . 1 1 28 28 VAL HG21 H 1 0.889 0.02 . 1 . . . . 28 VAL HG2 . 15353 1 330 . 1 1 28 28 VAL HG22 H 1 0.889 0.02 . 1 . . . . 28 VAL HG2 . 15353 1 331 . 1 1 28 28 VAL HG23 H 1 0.889 0.02 . 1 . . . . 28 VAL HG2 . 15353 1 332 . 1 1 28 28 VAL C C 13 176.058 0.1 . 1 . . . . 28 VAL C . 15353 1 333 . 1 1 28 28 VAL CA C 13 61.881 0.1 . 1 . . . . 28 VAL CA . 15353 1 334 . 1 1 28 28 VAL CB C 13 35.354 0.1 . 1 . . . . 28 VAL CB . 15353 1 335 . 1 1 28 28 VAL CG1 C 13 21.088 0.1 . 1 . . . . 28 VAL CG1 . 15353 1 336 . 1 1 28 28 VAL CG2 C 13 21.784 0.1 . 1 . . . . 28 VAL CG2 . 15353 1 337 . 1 1 28 28 VAL N N 15 123.465 0.1 . 1 . . . . 28 VAL N . 15353 1 338 . 1 1 29 29 CYS H H 1 9.405 0.02 . 1 . . . . 29 CYS H . 15353 1 339 . 1 1 29 29 CYS HA H 1 4.855 0.02 . 1 . . . . 29 CYS HA . 15353 1 340 . 1 1 29 29 CYS HB2 H 1 2.953 0.02 . 2 . . . . 29 CYS HB2 . 15353 1 341 . 1 1 29 29 CYS HB3 H 1 3.112 0.02 . 2 . . . . 29 CYS HB3 . 15353 1 342 . 1 1 29 29 CYS C C 13 176.532 0.1 . 1 . . . . 29 CYS C . 15353 1 343 . 1 1 29 29 CYS CA C 13 57.891 0.1 . 1 . . . . 29 CYS CA . 15353 1 344 . 1 1 29 29 CYS CB C 13 30.566 0.1 . 1 . . . . 29 CYS CB . 15353 1 345 . 1 1 29 29 CYS N N 15 128.847 0.1 . 1 . . . . 29 CYS N . 15353 1 346 . 1 1 30 30 ASN H H 1 9.199 0.02 . 1 . . . . 30 ASN H . 15353 1 347 . 1 1 30 30 ASN HA H 1 4.453 0.02 . 1 . . . . 30 ASN HA . 15353 1 348 . 1 1 30 30 ASN HB2 H 1 2.757 0.02 . 2 . . . . 30 ASN HB2 . 15353 1 349 . 1 1 30 30 ASN HB3 H 1 2.757 0.02 . 2 . . . . 30 ASN HB3 . 15353 1 350 . 1 1 30 30 ASN HD21 H 1 7.565 0.02 . 1 . . . . 30 ASN HD21 . 15353 1 351 . 1 1 30 30 ASN HD22 H 1 6.920 0.02 . 1 . . . . 30 ASN HD22 . 15353 1 352 . 1 1 30 30 ASN C C 13 176.203 0.1 . 1 . . . . 30 ASN C . 15353 1 353 . 1 1 30 30 ASN CA C 13 56.116 0.1 . 1 . . . . 30 ASN CA . 15353 1 354 . 1 1 30 30 ASN CB C 13 38.781 0.1 . 1 . . . . 30 ASN CB . 15353 1 355 . 1 1 30 30 ASN N N 15 127.791 0.1 . 1 . . . . 30 ASN N . 15353 1 356 . 1 1 30 30 ASN ND2 N 15 113.159 0.1 . 1 . . . . 30 ASN ND2 . 15353 1 357 . 1 1 31 31 ALA H H 1 8.297 0.02 . 1 . . . . 31 ALA H . 15353 1 358 . 1 1 31 31 ALA HA H 1 4.208 0.02 . 1 . . . . 31 ALA HA . 15353 1 359 . 1 1 31 31 ALA HB1 H 1 1.469 0.02 . 1 . . . . 31 ALA HB . 15353 1 360 . 1 1 31 31 ALA HB2 H 1 1.469 0.02 . 1 . . . . 31 ALA HB . 15353 1 361 . 1 1 31 31 ALA HB3 H 1 1.469 0.02 . 1 . . . . 31 ALA HB . 15353 1 362 . 1 1 31 31 ALA C C 13 179.108 0.1 . 1 . . . . 31 ALA C . 15353 1 363 . 1 1 31 31 ALA CA C 13 55.261 0.1 . 1 . . . . 31 ALA CA . 15353 1 364 . 1 1 31 31 ALA CB C 13 19.414 0.1 . 1 . . . . 31 ALA CB . 15353 1 365 . 1 1 31 31 ALA N N 15 124.783 0.1 . 1 . . . . 31 ALA N . 15353 1 366 . 1 1 32 32 ASP H H 1 9.210 0.02 . 1 . . . . 32 ASP H . 15353 1 367 . 1 1 32 32 ASP HA H 1 4.717 0.02 . 1 . . . . 32 ASP HA . 15353 1 368 . 1 1 32 32 ASP HB2 H 1 2.545 0.02 . 1 . . . . 32 ASP HB2 . 15353 1 369 . 1 1 32 32 ASP HB3 H 1 2.775 0.02 . 1 . . . . 32 ASP HB3 . 15353 1 370 . 1 1 32 32 ASP C C 13 174.596 0.1 . 1 . . . . 32 ASP C . 15353 1 371 . 1 1 32 32 ASP CA C 13 55.738 0.1 . 1 . . . . 32 ASP CA . 15353 1 372 . 1 1 32 32 ASP CB C 13 42.746 0.1 . 1 . . . . 32 ASP CB . 15353 1 373 . 1 1 32 32 ASP N N 15 117.574 0.1 . 1 . . . . 32 ASP N . 15353 1 374 . 1 1 33 33 ARG H H 1 7.905 0.02 . 1 . . . . 33 ARG H . 15353 1 375 . 1 1 33 33 ARG HA H 1 3.685 0.02 . 1 . . . . 33 ARG HA . 15353 1 376 . 1 1 33 33 ARG HB2 H 1 2.212 0.02 . 1 . . . . 33 ARG HB2 . 15353 1 377 . 1 1 33 33 ARG HB3 H 1 1.728 0.02 . 1 . . . . 33 ARG HB3 . 15353 1 378 . 1 1 33 33 ARG HD2 H 1 3.185 0.02 . 2 . . . . 33 ARG HD2 . 15353 1 379 . 1 1 33 33 ARG HD3 H 1 3.243 0.02 . 2 . . . . 33 ARG HD3 . 15353 1 380 . 1 1 33 33 ARG HE H 1 7.787 0.02 . 1 . . . . 33 ARG HE . 15353 1 381 . 1 1 33 33 ARG HG2 H 1 1.650 0.02 . 2 . . . . 33 ARG HG2 . 15353 1 382 . 1 1 33 33 ARG HG3 H 1 1.563 0.02 . 2 . . . . 33 ARG HG3 . 15353 1 383 . 1 1 33 33 ARG C C 13 175.440 0.1 . 1 . . . . 33 ARG C . 15353 1 384 . 1 1 33 33 ARG CA C 13 56.561 0.1 . 1 . . . . 33 ARG CA . 15353 1 385 . 1 1 33 33 ARG CB C 13 25.786 0.1 . 1 . . . . 33 ARG CB . 15353 1 386 . 1 1 33 33 ARG CD C 13 42.549 0.1 . 1 . . . . 33 ARG CD . 15353 1 387 . 1 1 33 33 ARG CG C 13 26.496 0.1 . 1 . . . . 33 ARG CG . 15353 1 388 . 1 1 33 33 ARG N N 15 116.754 0.1 . 1 . . . . 33 ARG N . 15353 1 389 . 1 1 33 33 ARG NE N 15 84.113 0.1 . 1 . . . . 33 ARG NE . 15353 1 390 . 1 1 34 34 LEU H H 1 7.620 0.02 . 1 . . . . 34 LEU H . 15353 1 391 . 1 1 34 34 LEU HA H 1 5.049 0.02 . 1 . . . . 34 LEU HA . 15353 1 392 . 1 1 34 34 LEU HB2 H 1 1.302 0.02 . 1 . . . . 34 LEU HB2 . 15353 1 393 . 1 1 34 34 LEU HB3 H 1 0.673 0.02 . 1 . . . . 34 LEU HB3 . 15353 1 394 . 1 1 34 34 LEU HD11 H 1 0.784 0.02 . 1 . . . . 34 LEU HD1 . 15353 1 395 . 1 1 34 34 LEU HD12 H 1 0.784 0.02 . 1 . . . . 34 LEU HD1 . 15353 1 396 . 1 1 34 34 LEU HD13 H 1 0.784 0.02 . 1 . . . . 34 LEU HD1 . 15353 1 397 . 1 1 34 34 LEU HD21 H 1 0.697 0.02 . 1 . . . . 34 LEU HD2 . 15353 1 398 . 1 1 34 34 LEU HD22 H 1 0.697 0.02 . 1 . . . . 34 LEU HD2 . 15353 1 399 . 1 1 34 34 LEU HD23 H 1 0.697 0.02 . 1 . . . . 34 LEU HD2 . 15353 1 400 . 1 1 34 34 LEU HG H 1 1.430 0.02 . 1 . . . . 34 LEU HG . 15353 1 401 . 1 1 34 34 LEU C C 13 174.389 0.1 . 1 . . . . 34 LEU C . 15353 1 402 . 1 1 34 34 LEU CA C 13 52.868 0.1 . 1 . . . . 34 LEU CA . 15353 1 403 . 1 1 34 34 LEU CB C 13 48.031 0.1 . 1 . . . . 34 LEU CB . 15353 1 404 . 1 1 34 34 LEU CD1 C 13 26.025 0.1 . 1 . . . . 34 LEU CD1 . 15353 1 405 . 1 1 34 34 LEU CD2 C 13 22.570 0.1 . 1 . . . . 34 LEU CD2 . 15353 1 406 . 1 1 34 34 LEU CG C 13 25.807 0.1 . 1 . . . . 34 LEU CG . 15353 1 407 . 1 1 34 34 LEU N N 15 118.805 0.1 . 1 . . . . 34 LEU N . 15353 1 408 . 1 1 35 35 ALA H H 1 8.801 0.02 . 1 . . . . 35 ALA H . 15353 1 409 . 1 1 35 35 ALA HA H 1 5.152 0.02 . 1 . . . . 35 ALA HA . 15353 1 410 . 1 1 35 35 ALA HB1 H 1 1.079 0.02 . 1 . . . . 35 ALA HB . 15353 1 411 . 1 1 35 35 ALA HB2 H 1 1.079 0.02 . 1 . . . . 35 ALA HB . 15353 1 412 . 1 1 35 35 ALA HB3 H 1 1.079 0.02 . 1 . . . . 35 ALA HB . 15353 1 413 . 1 1 35 35 ALA C C 13 176.141 0.1 . 1 . . . . 35 ALA C . 15353 1 414 . 1 1 35 35 ALA CA C 13 49.595 0.1 . 1 . . . . 35 ALA CA . 15353 1 415 . 1 1 35 35 ALA CB C 13 21.694 0.1 . 1 . . . . 35 ALA CB . 15353 1 416 . 1 1 35 35 ALA N N 15 121.735 0.1 . 1 . . . . 35 ALA N . 15353 1 417 . 1 1 36 36 PHE H H 1 9.879 0.02 . 1 . . . . 36 PHE H . 15353 1 418 . 1 1 36 36 PHE HA H 1 4.735 0.02 . 1 . . . . 36 PHE HA . 15353 1 419 . 1 1 36 36 PHE HB2 H 1 2.775 0.02 . 1 . . . . 36 PHE HB2 . 15353 1 420 . 1 1 36 36 PHE HB3 H 1 3.530 0.02 . 1 . . . . 36 PHE HB3 . 15353 1 421 . 1 1 36 36 PHE HD1 H 1 7.409 0.02 . 1 . . . . 36 PHE HD1 . 15353 1 422 . 1 1 36 36 PHE HD2 H 1 7.409 0.02 . 1 . . . . 36 PHE HD2 . 15353 1 423 . 1 1 36 36 PHE HE1 H 1 7.122 0.02 . 1 . . . . 36 PHE HE1 . 15353 1 424 . 1 1 36 36 PHE HE2 H 1 7.122 0.02 . 1 . . . . 36 PHE HE2 . 15353 1 425 . 1 1 36 36 PHE CA C 13 55.680 0.1 . 1 . . . . 36 PHE CA . 15353 1 426 . 1 1 36 36 PHE CB C 13 38.943 0.1 . 1 . . . . 36 PHE CB . 15353 1 427 . 1 1 36 36 PHE CD1 C 13 132.607 0.1 . 1 . . . . 36 PHE CD1 . 15353 1 428 . 1 1 36 36 PHE CE1 C 13 130.467 0.1 . 1 . . . . 36 PHE CE1 . 15353 1 429 . 1 1 36 36 PHE N N 15 126.632 0.1 . 1 . . . . 36 PHE N . 15353 1 430 . 1 1 37 37 PRO HA H 1 4.773 0.02 . 1 . . . . 37 PRO HA . 15353 1 431 . 1 1 37 37 PRO HB2 H 1 1.878 0.02 . 2 . . . . 37 PRO HB2 . 15353 1 432 . 1 1 37 37 PRO HB3 H 1 2.542 0.02 . 2 . . . . 37 PRO HB3 . 15353 1 433 . 1 1 37 37 PRO HD2 H 1 3.969 0.02 . 2 . . . . 37 PRO HD2 . 15353 1 434 . 1 1 37 37 PRO HD3 H 1 4.276 0.02 . 2 . . . . 37 PRO HD3 . 15353 1 435 . 1 1 37 37 PRO HG2 H 1 2.335 0.02 . 2 . . . . 37 PRO HG2 . 15353 1 436 . 1 1 37 37 PRO HG3 H 1 2.243 0.02 . 2 . . . . 37 PRO HG3 . 15353 1 437 . 1 1 37 37 PRO C C 13 175.008 0.1 . 1 . . . . 37 PRO C . 15353 1 438 . 1 1 37 37 PRO CA C 13 63.413 0.1 . 1 . . . . 37 PRO CA . 15353 1 439 . 1 1 37 37 PRO CB C 13 32.724 0.1 . 1 . . . . 37 PRO CB . 15353 1 440 . 1 1 37 37 PRO CD C 13 49.995 0.1 . 1 . . . . 37 PRO CD . 15353 1 441 . 1 1 37 37 PRO CG C 13 26.867 0.1 . 1 . . . . 37 PRO CG . 15353 1 442 . 1 1 38 38 VAL H H 1 7.914 0.02 . 1 . . . . 38 VAL H . 15353 1 443 . 1 1 38 38 VAL HA H 1 4.349 0.02 . 1 . . . . 38 VAL HA . 15353 1 444 . 1 1 38 38 VAL HB H 1 1.915 0.02 . 1 . . . . 38 VAL HB . 15353 1 445 . 1 1 38 38 VAL HG11 H 1 0.542 0.02 . 1 . . . . 38 VAL HG1 . 15353 1 446 . 1 1 38 38 VAL HG12 H 1 0.542 0.02 . 1 . . . . 38 VAL HG1 . 15353 1 447 . 1 1 38 38 VAL HG13 H 1 0.542 0.02 . 1 . . . . 38 VAL HG1 . 15353 1 448 . 1 1 38 38 VAL HG21 H 1 0.709 0.02 . 1 . . . . 38 VAL HG2 . 15353 1 449 . 1 1 38 38 VAL HG22 H 1 0.709 0.02 . 1 . . . . 38 VAL HG2 . 15353 1 450 . 1 1 38 38 VAL HG23 H 1 0.709 0.02 . 1 . . . . 38 VAL HG2 . 15353 1 451 . 1 1 38 38 VAL C C 13 176.409 0.1 . 1 . . . . 38 VAL C . 15353 1 452 . 1 1 38 38 VAL CA C 13 61.627 0.1 . 1 . . . . 38 VAL CA . 15353 1 453 . 1 1 38 38 VAL CB C 13 31.644 0.1 . 1 . . . . 38 VAL CB . 15353 1 454 . 1 1 38 38 VAL CG1 C 13 21.247 0.1 . 1 . . . . 38 VAL CG1 . 15353 1 455 . 1 1 38 38 VAL CG2 C 13 21.019 0.1 . 1 . . . . 38 VAL CG2 . 15353 1 456 . 1 1 38 38 VAL N N 15 119.274 0.1 . 1 . . . . 38 VAL N . 15353 1 457 . 1 1 39 39 ARG H H 1 8.524 0.02 . 1 . . . . 39 ARG H . 15353 1 458 . 1 1 39 39 ARG HA H 1 4.700 0.02 . 1 . . . . 39 ARG HA . 15353 1 459 . 1 1 39 39 ARG HB2 H 1 1.676 0.02 . 2 . . . . 39 ARG HB2 . 15353 1 460 . 1 1 39 39 ARG HB3 H 1 1.802 0.02 . 2 . . . . 39 ARG HB3 . 15353 1 461 . 1 1 39 39 ARG HD2 H 1 3.178 0.02 . 2 . . . . 39 ARG HD2 . 15353 1 462 . 1 1 39 39 ARG HD3 H 1 3.285 0.02 . 2 . . . . 39 ARG HD3 . 15353 1 463 . 1 1 39 39 ARG HE H 1 7.317 0.02 . 1 . . . . 39 ARG HE . 15353 1 464 . 1 1 39 39 ARG HG2 H 1 1.592 0.02 . 2 . . . . 39 ARG HG2 . 15353 1 465 . 1 1 39 39 ARG HG3 H 1 1.592 0.02 . 2 . . . . 39 ARG HG3 . 15353 1 466 . 1 1 39 39 ARG C C 13 175.914 0.1 . 1 . . . . 39 ARG C . 15353 1 467 . 1 1 39 39 ARG CA C 13 54.981 0.1 . 1 . . . . 39 ARG CA . 15353 1 468 . 1 1 39 39 ARG CB C 13 32.033 0.1 . 1 . . . . 39 ARG CB . 15353 1 469 . 1 1 39 39 ARG CD C 13 43.569 0.1 . 1 . . . . 39 ARG CD . 15353 1 470 . 1 1 39 39 ARG CG C 13 27.692 0.1 . 1 . . . . 39 ARG CG . 15353 1 471 . 1 1 39 39 ARG N N 15 127.763 0.1 . 1 . . . . 39 ARG N . 15353 1 472 . 1 1 39 39 ARG NE N 15 84.674 0.1 . 1 . . . . 39 ARG NE . 15353 1 473 . 1 1 40 40 ASP H H 1 9.508 0.02 . 1 . . . . 40 ASP H . 15353 1 474 . 1 1 40 40 ASP HA H 1 4.302 0.02 . 1 . . . . 40 ASP HA . 15353 1 475 . 1 1 40 40 ASP HB2 H 1 2.602 0.02 . 2 . . . . 40 ASP HB2 . 15353 1 476 . 1 1 40 40 ASP HB3 H 1 2.935 0.02 . 2 . . . . 40 ASP HB3 . 15353 1 477 . 1 1 40 40 ASP C C 13 175.873 0.1 . 1 . . . . 40 ASP C . 15353 1 478 . 1 1 40 40 ASP CA C 13 55.331 0.1 . 1 . . . . 40 ASP CA . 15353 1 479 . 1 1 40 40 ASP CB C 13 39.832 0.1 . 1 . . . . 40 ASP CB . 15353 1 480 . 1 1 40 40 ASP N N 15 128.341 0.1 . 1 . . . . 40 ASP N . 15353 1 481 . 1 1 41 41 GLY H H 1 8.423 0.02 . 1 . . . . 41 GLY H . 15353 1 482 . 1 1 41 41 GLY HA2 H 1 3.441 0.02 . 1 . . . . 41 GLY HA2 . 15353 1 483 . 1 1 41 41 GLY HA3 H 1 4.145 0.02 . 1 . . . . 41 GLY HA3 . 15353 1 484 . 1 1 41 41 GLY C C 13 173.359 0.1 . 1 . . . . 41 GLY C . 15353 1 485 . 1 1 41 41 GLY CA C 13 45.211 0.1 . 1 . . . . 41 GLY CA . 15353 1 486 . 1 1 41 41 GLY N N 15 102.109 0.1 . 1 . . . . 41 GLY N . 15353 1 487 . 1 1 42 42 VAL H H 1 7.737 0.02 . 1 . . . . 42 VAL H . 15353 1 488 . 1 1 42 42 VAL HA H 1 4.437 0.02 . 1 . . . . 42 VAL HA . 15353 1 489 . 1 1 42 42 VAL HB H 1 2.191 0.02 . 1 . . . . 42 VAL HB . 15353 1 490 . 1 1 42 42 VAL HG11 H 1 0.896 0.02 . 2 . . . . 42 VAL HG1 . 15353 1 491 . 1 1 42 42 VAL HG12 H 1 0.896 0.02 . 2 . . . . 42 VAL HG1 . 15353 1 492 . 1 1 42 42 VAL HG13 H 1 0.896 0.02 . 2 . . . . 42 VAL HG1 . 15353 1 493 . 1 1 42 42 VAL HG21 H 1 0.896 0.02 . 2 . . . . 42 VAL HG2 . 15353 1 494 . 1 1 42 42 VAL HG22 H 1 0.896 0.02 . 2 . . . . 42 VAL HG2 . 15353 1 495 . 1 1 42 42 VAL HG23 H 1 0.896 0.02 . 2 . . . . 42 VAL HG2 . 15353 1 496 . 1 1 42 42 VAL CA C 13 59.278 0.1 . 1 . . . . 42 VAL CA . 15353 1 497 . 1 1 42 42 VAL CB C 13 33.968 0.1 . 1 . . . . 42 VAL CB . 15353 1 498 . 1 1 42 42 VAL CG1 C 13 20.758 0.1 . 1 . . . . 42 VAL CG1 . 15353 1 499 . 1 1 42 42 VAL N N 15 121.650 0.1 . 1 . . . . 42 VAL N . 15353 1 500 . 1 1 43 43 PRO HA H 1 4.576 0.02 . 1 . . . . 43 PRO HA . 15353 1 501 . 1 1 43 43 PRO HB2 H 1 1.794 0.02 . 2 . . . . 43 PRO HB2 . 15353 1 502 . 1 1 43 43 PRO HB3 H 1 1.860 0.02 . 2 . . . . 43 PRO HB3 . 15353 1 503 . 1 1 43 43 PRO HD2 H 1 3.695 0.02 . 1 . . . . 43 PRO HD2 . 15353 1 504 . 1 1 43 43 PRO HD3 H 1 3.808 0.02 . 1 . . . . 43 PRO HD3 . 15353 1 505 . 1 1 43 43 PRO HG2 H 1 1.606 0.02 . 2 . . . . 43 PRO HG2 . 15353 1 506 . 1 1 43 43 PRO HG3 H 1 2.026 0.02 . 2 . . . . 43 PRO HG3 . 15353 1 507 . 1 1 43 43 PRO C C 13 175.358 0.1 . 1 . . . . 43 PRO C . 15353 1 508 . 1 1 43 43 PRO CA C 13 62.253 0.1 . 1 . . . . 43 PRO CA . 15353 1 509 . 1 1 43 43 PRO CB C 13 32.296 0.1 . 1 . . . . 43 PRO CB . 15353 1 510 . 1 1 43 43 PRO CD C 13 50.629 0.1 . 1 . . . . 43 PRO CD . 15353 1 511 . 1 1 43 43 PRO CG C 13 27.684 0.1 . 1 . . . . 43 PRO CG . 15353 1 512 . 1 1 44 44 ILE H H 1 8.865 0.02 . 1 . . . . 44 ILE H . 15353 1 513 . 1 1 44 44 ILE HA H 1 4.190 0.02 . 1 . . . . 44 ILE HA . 15353 1 514 . 1 1 44 44 ILE HB H 1 2.385 0.02 . 1 . . . . 44 ILE HB . 15353 1 515 . 1 1 44 44 ILE HD11 H 1 0.766 0.02 . 1 . . . . 44 ILE HD1 . 15353 1 516 . 1 1 44 44 ILE HD12 H 1 0.766 0.02 . 1 . . . . 44 ILE HD1 . 15353 1 517 . 1 1 44 44 ILE HD13 H 1 0.766 0.02 . 1 . . . . 44 ILE HD1 . 15353 1 518 . 1 1 44 44 ILE HG12 H 1 1.632 0.02 . 1 . . . . 44 ILE HG12 . 15353 1 519 . 1 1 44 44 ILE HG13 H 1 1.323 0.02 . 1 . . . . 44 ILE HG13 . 15353 1 520 . 1 1 44 44 ILE HG21 H 1 0.939 0.02 . 1 . . . . 44 ILE HG2 . 15353 1 521 . 1 1 44 44 ILE HG22 H 1 0.939 0.02 . 1 . . . . 44 ILE HG2 . 15353 1 522 . 1 1 44 44 ILE HG23 H 1 0.939 0.02 . 1 . . . . 44 ILE HG2 . 15353 1 523 . 1 1 44 44 ILE C C 13 175.378 0.1 . 1 . . . . 44 ILE C . 15353 1 524 . 1 1 44 44 ILE CA C 13 58.789 0.1 . 1 . . . . 44 ILE CA . 15353 1 525 . 1 1 44 44 ILE CB C 13 35.096 0.1 . 1 . . . . 44 ILE CB . 15353 1 526 . 1 1 44 44 ILE CD1 C 13 10.468 0.1 . 1 . . . . 44 ILE CD1 . 15353 1 527 . 1 1 44 44 ILE CG1 C 13 26.125 0.1 . 1 . . . . 44 ILE CG1 . 15353 1 528 . 1 1 44 44 ILE CG2 C 13 17.854 0.1 . 1 . . . . 44 ILE CG2 . 15353 1 529 . 1 1 44 44 ILE N N 15 127.302 0.1 . 1 . . . . 44 ILE N . 15353 1 530 . 1 1 45 45 MET H H 1 8.055 0.02 . 1 . . . . 45 MET H . 15353 1 531 . 1 1 45 45 MET HA H 1 4.497 0.02 . 1 . . . . 45 MET HA . 15353 1 532 . 1 1 45 45 MET HB2 H 1 1.858 0.02 . 2 . . . . 45 MET HB2 . 15353 1 533 . 1 1 45 45 MET HB3 H 1 1.712 0.02 . 2 . . . . 45 MET HB3 . 15353 1 534 . 1 1 45 45 MET HE1 H 1 1.318 0.02 . 1 . . . . 45 MET HE . 15353 1 535 . 1 1 45 45 MET HE2 H 1 1.318 0.02 . 1 . . . . 45 MET HE . 15353 1 536 . 1 1 45 45 MET HE3 H 1 1.318 0.02 . 1 . . . . 45 MET HE . 15353 1 537 . 1 1 45 45 MET HG2 H 1 2.017 0.02 . 2 . . . . 45 MET HG2 . 15353 1 538 . 1 1 45 45 MET HG3 H 1 2.444 0.02 . 2 . . . . 45 MET HG3 . 15353 1 539 . 1 1 45 45 MET C C 13 175.770 0.1 . 1 . . . . 45 MET C . 15353 1 540 . 1 1 45 45 MET CA C 13 52.309 0.1 . 1 . . . . 45 MET CA . 15353 1 541 . 1 1 45 45 MET CB C 13 28.610 0.1 . 1 . . . . 45 MET CB . 15353 1 542 . 1 1 45 45 MET CE C 13 16.284 0.1 . 1 . . . . 45 MET CE . 15353 1 543 . 1 1 45 45 MET CG C 13 30.785 0.1 . 1 . . . . 45 MET CG . 15353 1 544 . 1 1 45 45 MET N N 15 124.900 0.1 . 1 . . . . 45 MET N . 15353 1 545 . 1 1 46 46 LEU H H 1 7.332 0.02 . 1 . . . . 46 LEU H . 15353 1 546 . 1 1 46 46 LEU HA H 1 4.753 0.02 . 1 . . . . 46 LEU HA . 15353 1 547 . 1 1 46 46 LEU HB2 H 1 1.586 0.02 . 2 . . . . 46 LEU HB2 . 15353 1 548 . 1 1 46 46 LEU HB3 H 1 1.494 0.02 . 2 . . . . 46 LEU HB3 . 15353 1 549 . 1 1 46 46 LEU HD11 H 1 0.944 0.02 . 1 . . . . 46 LEU HD1 . 15353 1 550 . 1 1 46 46 LEU HD12 H 1 0.944 0.02 . 1 . . . . 46 LEU HD1 . 15353 1 551 . 1 1 46 46 LEU HD13 H 1 0.944 0.02 . 1 . . . . 46 LEU HD1 . 15353 1 552 . 1 1 46 46 LEU HD21 H 1 0.960 0.02 . 1 . . . . 46 LEU HD2 . 15353 1 553 . 1 1 46 46 LEU HD22 H 1 0.960 0.02 . 1 . . . . 46 LEU HD2 . 15353 1 554 . 1 1 46 46 LEU HD23 H 1 0.960 0.02 . 1 . . . . 46 LEU HD2 . 15353 1 555 . 1 1 46 46 LEU HG H 1 1.579 0.02 . 1 . . . . 46 LEU HG . 15353 1 556 . 1 1 46 46 LEU C C 13 177.521 0.1 . 1 . . . . 46 LEU C . 15353 1 557 . 1 1 46 46 LEU CA C 13 52.958 0.1 . 1 . . . . 46 LEU CA . 15353 1 558 . 1 1 46 46 LEU CB C 13 44.344 0.1 . 1 . . . . 46 LEU CB . 15353 1 559 . 1 1 46 46 LEU CD1 C 13 25.312 0.1 . 1 . . . . 46 LEU CD1 . 15353 1 560 . 1 1 46 46 LEU CD2 C 13 23.412 0.1 . 1 . . . . 46 LEU CD2 . 15353 1 561 . 1 1 46 46 LEU CG C 13 26.769 0.1 . 1 . . . . 46 LEU CG . 15353 1 562 . 1 1 46 46 LEU N N 15 119.626 0.1 . 1 . . . . 46 LEU N . 15353 1 563 . 1 1 47 47 GLU H H 1 9.581 0.02 . 1 . . . . 47 GLU H . 15353 1 564 . 1 1 47 47 GLU HA H 1 3.883 0.02 . 1 . . . . 47 GLU HA . 15353 1 565 . 1 1 47 47 GLU HB2 H 1 1.998 0.02 . 2 . . . . 47 GLU HB2 . 15353 1 566 . 1 1 47 47 GLU HB3 H 1 2.073 0.02 . 2 . . . . 47 GLU HB3 . 15353 1 567 . 1 1 47 47 GLU HG2 H 1 2.232 0.02 . 2 . . . . 47 GLU HG2 . 15353 1 568 . 1 1 47 47 GLU HG3 H 1 2.232 0.02 . 2 . . . . 47 GLU HG3 . 15353 1 569 . 1 1 47 47 GLU C C 13 178.243 0.1 . 1 . . . . 47 GLU C . 15353 1 570 . 1 1 47 47 GLU CA C 13 60.559 0.1 . 1 . . . . 47 GLU CA . 15353 1 571 . 1 1 47 47 GLU CB C 13 29.490 0.1 . 1 . . . . 47 GLU CB . 15353 1 572 . 1 1 47 47 GLU CG C 13 36.503 0.1 . 1 . . . . 47 GLU CG . 15353 1 573 . 1 1 47 47 GLU N N 15 126.546 0.1 . 1 . . . . 47 GLU N . 15353 1 574 . 1 1 48 48 ALA H H 1 8.706 0.02 . 1 . . . . 48 ALA H . 15353 1 575 . 1 1 48 48 ALA HA H 1 4.192 0.02 . 1 . . . . 48 ALA HA . 15353 1 576 . 1 1 48 48 ALA HB1 H 1 1.453 0.02 . 1 . . . . 48 ALA HB . 15353 1 577 . 1 1 48 48 ALA HB2 H 1 1.453 0.02 . 1 . . . . 48 ALA HB . 15353 1 578 . 1 1 48 48 ALA HB3 H 1 1.453 0.02 . 1 . . . . 48 ALA HB . 15353 1 579 . 1 1 48 48 ALA C C 13 175.031 0.1 . 1 . . . . 48 ALA C . 15353 1 580 . 1 1 48 48 ALA CA C 13 54.106 0.1 . 1 . . . . 48 ALA CA . 15353 1 581 . 1 1 48 48 ALA CB C 13 18.965 0.1 . 1 . . . . 48 ALA CB . 15353 1 582 . 1 1 48 48 ALA N N 15 118.399 0.1 . 1 . . . . 48 ALA N . 15353 1 583 . 1 1 49 49 GLU H H 1 7.373 0.02 . 1 . . . . 49 GLU H . 15353 1 584 . 1 1 49 49 GLU HA H 1 4.471 0.02 . 1 . . . . 49 GLU HA . 15353 1 585 . 1 1 49 49 GLU HB2 H 1 2.466 0.02 . 1 . . . . 49 GLU HB2 . 15353 1 586 . 1 1 49 49 GLU HB3 H 1 1.813 0.02 . 1 . . . . 49 GLU HB3 . 15353 1 587 . 1 1 49 49 GLU HG2 H 1 2.115 0.02 . 2 . . . . 49 GLU HG2 . 15353 1 588 . 1 1 49 49 GLU HG3 H 1 2.303 0.02 . 2 . . . . 49 GLU HG3 . 15353 1 589 . 1 1 49 49 GLU C C 13 175.255 0.1 . 1 . . . . 49 GLU C . 15353 1 590 . 1 1 49 49 GLU CA C 13 55.149 0.1 . 1 . . . . 49 GLU CA . 15353 1 591 . 1 1 49 49 GLU CB C 13 30.460 0.1 . 1 . . . . 49 GLU CB . 15353 1 592 . 1 1 49 49 GLU CG C 13 36.060 0.1 . 1 . . . . 49 GLU CG . 15353 1 593 . 1 1 49 49 GLU N N 15 113.523 0.1 . 1 . . . . 49 GLU N . 15353 1 594 . 1 1 50 50 ALA H H 1 7.282 0.02 . 1 . . . . 50 ALA H . 15353 1 595 . 1 1 50 50 ALA HA H 1 4.350 0.02 . 1 . . . . 50 ALA HA . 15353 1 596 . 1 1 50 50 ALA HB1 H 1 0.919 0.02 . 1 . . . . 50 ALA HB . 15353 1 597 . 1 1 50 50 ALA HB2 H 1 0.919 0.02 . 1 . . . . 50 ALA HB . 15353 1 598 . 1 1 50 50 ALA HB3 H 1 0.919 0.02 . 1 . . . . 50 ALA HB . 15353 1 599 . 1 1 50 50 ALA C C 13 176.471 0.1 . 1 . . . . 50 ALA C . 15353 1 600 . 1 1 50 50 ALA CA C 13 51.696 0.1 . 1 . . . . 50 ALA CA . 15353 1 601 . 1 1 50 50 ALA CB C 13 20.210 0.1 . 1 . . . . 50 ALA CB . 15353 1 602 . 1 1 50 50 ALA N N 15 121.824 0.1 . 1 . . . . 50 ALA N . 15353 1 603 . 1 1 51 51 ARG H H 1 8.643 0.02 . 1 . . . . 51 ARG H . 15353 1 604 . 1 1 51 51 ARG HA H 1 4.617 0.02 . 1 . . . . 51 ARG HA . 15353 1 605 . 1 1 51 51 ARG HB2 H 1 1.775 0.02 . 2 . . . . 51 ARG HB2 . 15353 1 606 . 1 1 51 51 ARG HB3 H 1 1.775 0.02 . 2 . . . . 51 ARG HB3 . 15353 1 607 . 1 1 51 51 ARG HD2 H 1 3.267 0.02 . 2 . . . . 51 ARG HD2 . 15353 1 608 . 1 1 51 51 ARG HD3 H 1 2.988 0.02 . 2 . . . . 51 ARG HD3 . 15353 1 609 . 1 1 51 51 ARG HE H 1 8.849 0.02 . 1 . . . . 51 ARG HE . 15353 1 610 . 1 1 51 51 ARG HG2 H 1 1.442 0.02 . 2 . . . . 51 ARG HG2 . 15353 1 611 . 1 1 51 51 ARG HG3 H 1 1.442 0.02 . 2 . . . . 51 ARG HG3 . 15353 1 612 . 1 1 51 51 ARG HH11 H 1 6.738 0.02 . 2 . . . . 51 ARG HH11 . 15353 1 613 . 1 1 51 51 ARG HH12 H 1 6.738 0.02 . 2 . . . . 51 ARG HH12 . 15353 1 614 . 1 1 51 51 ARG C C 13 175.626 0.1 . 1 . . . . 51 ARG C . 15353 1 615 . 1 1 51 51 ARG CA C 13 54.036 0.1 . 1 . . . . 51 ARG CA . 15353 1 616 . 1 1 51 51 ARG CB C 13 33.151 0.1 . 1 . . . . 51 ARG CB . 15353 1 617 . 1 1 51 51 ARG CD C 13 43.133 0.1 . 1 . . . . 51 ARG CD . 15353 1 618 . 1 1 51 51 ARG CG C 13 27.746 0.1 . 1 . . . . 51 ARG CG . 15353 1 619 . 1 1 51 51 ARG N N 15 120.901 0.1 . 1 . . . . 51 ARG N . 15353 1 620 . 1 1 51 51 ARG NE N 15 84.301 0.1 . 1 . . . . 51 ARG NE . 15353 1 621 . 1 1 52 52 SER H H 1 8.765 0.02 . 1 . . . . 52 SER H . 15353 1 622 . 1 1 52 52 SER HA H 1 4.832 0.02 . 1 . . . . 52 SER HA . 15353 1 623 . 1 1 52 52 SER HB2 H 1 3.911 0.02 . 1 . . . . 52 SER HB2 . 15353 1 624 . 1 1 52 52 SER HB3 H 1 3.828 0.02 . 1 . . . . 52 SER HB3 . 15353 1 625 . 1 1 52 52 SER C C 13 176.264 0.1 . 1 . . . . 52 SER C . 15353 1 626 . 1 1 52 52 SER CA C 13 57.651 0.1 . 1 . . . . 52 SER CA . 15353 1 627 . 1 1 52 52 SER CB C 13 63.350 0.1 . 1 . . . . 52 SER CB . 15353 1 628 . 1 1 52 52 SER N N 15 118.747 0.1 . 1 . . . . 52 SER N . 15353 1 629 . 1 1 53 53 LEU H H 1 8.111 0.02 . 1 . . . . 53 LEU H . 15353 1 630 . 1 1 53 53 LEU HA H 1 4.146 0.02 . 1 . . . . 53 LEU HA . 15353 1 631 . 1 1 53 53 LEU HB2 H 1 1.277 0.02 . 2 . . . . 53 LEU HB2 . 15353 1 632 . 1 1 53 53 LEU HB3 H 1 1.605 0.02 . 2 . . . . 53 LEU HB3 . 15353 1 633 . 1 1 53 53 LEU HD11 H 1 0.729 0.02 . 1 . . . . 53 LEU HD1 . 15353 1 634 . 1 1 53 53 LEU HD12 H 1 0.729 0.02 . 1 . . . . 53 LEU HD1 . 15353 1 635 . 1 1 53 53 LEU HD13 H 1 0.729 0.02 . 1 . . . . 53 LEU HD1 . 15353 1 636 . 1 1 53 53 LEU HD21 H 1 0.721 0.02 . 1 . . . . 53 LEU HD2 . 15353 1 637 . 1 1 53 53 LEU HD22 H 1 0.721 0.02 . 1 . . . . 53 LEU HD2 . 15353 1 638 . 1 1 53 53 LEU HD23 H 1 0.721 0.02 . 1 . . . . 53 LEU HD2 . 15353 1 639 . 1 1 53 53 LEU HG H 1 1.314 0.02 . 1 . . . . 53 LEU HG . 15353 1 640 . 1 1 53 53 LEU C C 13 177.151 0.1 . 1 . . . . 53 LEU C . 15353 1 641 . 1 1 53 53 LEU CA C 13 55.808 0.1 . 1 . . . . 53 LEU CA . 15353 1 642 . 1 1 53 53 LEU CB C 13 41.690 0.1 . 1 . . . . 53 LEU CB . 15353 1 643 . 1 1 53 53 LEU CD1 C 13 25.438 0.1 . 1 . . . . 53 LEU CD1 . 15353 1 644 . 1 1 53 53 LEU CD2 C 13 22.674 0.1 . 1 . . . . 53 LEU CD2 . 15353 1 645 . 1 1 53 53 LEU CG C 13 27.108 0.1 . 1 . . . . 53 LEU CG . 15353 1 646 . 1 1 53 53 LEU N N 15 125.837 0.1 . 1 . . . . 53 LEU N . 15353 1 647 . 1 1 54 54 ASP H H 1 8.108 0.02 . 1 . . . . 54 ASP H . 15353 1 648 . 1 1 54 54 ASP HA H 1 4.665 0.02 . 1 . . . . 54 ASP HA . 15353 1 649 . 1 1 54 54 ASP HB2 H 1 2.457 0.02 . 2 . . . . 54 ASP HB2 . 15353 1 650 . 1 1 54 54 ASP HB3 H 1 2.782 0.02 . 2 . . . . 54 ASP HB3 . 15353 1 651 . 1 1 54 54 ASP C C 13 175.585 0.1 . 1 . . . . 54 ASP C . 15353 1 652 . 1 1 54 54 ASP CA C 13 54.152 0.1 . 1 . . . . 54 ASP CA . 15353 1 653 . 1 1 54 54 ASP CB C 13 41.440 0.1 . 1 . . . . 54 ASP CB . 15353 1 654 . 1 1 54 54 ASP N N 15 118.102 0.1 . 1 . . . . 54 ASP N . 15353 1 655 . 1 1 55 55 ALA H H 1 7.803 0.02 . 1 . . . . 55 ALA H . 15353 1 656 . 1 1 55 55 ALA HA H 1 4.300 0.02 . 1 . . . . 55 ALA HA . 15353 1 657 . 1 1 55 55 ALA HB1 H 1 1.411 0.02 . 1 . . . . 55 ALA HB . 15353 1 658 . 1 1 55 55 ALA HB2 H 1 1.411 0.02 . 1 . . . . 55 ALA HB . 15353 1 659 . 1 1 55 55 ALA HB3 H 1 1.411 0.02 . 1 . . . . 55 ALA HB . 15353 1 660 . 1 1 55 55 ALA C C 13 177.521 0.1 . 1 . . . . 55 ALA C . 15353 1 661 . 1 1 55 55 ALA CA C 13 52.415 0.1 . 1 . . . . 55 ALA CA . 15353 1 662 . 1 1 55 55 ALA CB C 13 19.543 0.1 . 1 . . . . 55 ALA CB . 15353 1 663 . 1 1 55 55 ALA N N 15 123.496 0.1 . 1 . . . . 55 ALA N . 15353 1 664 . 1 1 56 56 GLU H H 1 8.307 0.02 . 1 . . . . 56 GLU H . 15353 1 665 . 1 1 56 56 GLU HA H 1 4.240 0.02 . 1 . . . . 56 GLU HA . 15353 1 666 . 1 1 56 56 GLU HB2 H 1 1.903 0.02 . 2 . . . . 56 GLU HB2 . 15353 1 667 . 1 1 56 56 GLU HB3 H 1 2.026 0.02 . 2 . . . . 56 GLU HB3 . 15353 1 668 . 1 1 56 56 GLU HG2 H 1 2.250 0.02 . 2 . . . . 56 GLU HG2 . 15353 1 669 . 1 1 56 56 GLU HG3 H 1 2.250 0.02 . 2 . . . . 56 GLU HG3 . 15353 1 670 . 1 1 56 56 GLU C C 13 175.873 0.1 . 1 . . . . 56 GLU C . 15353 1 671 . 1 1 56 56 GLU CA C 13 56.061 0.1 . 1 . . . . 56 GLU CA . 15353 1 672 . 1 1 56 56 GLU CB C 13 30.368 0.1 . 1 . . . . 56 GLU CB . 15353 1 673 . 1 1 56 56 GLU CG C 13 36.167 0.1 . 1 . . . . 56 GLU CG . 15353 1 674 . 1 1 56 56 GLU N N 15 119.915 0.1 . 1 . . . . 56 GLU N . 15353 1 675 . 1 1 57 57 ALA H H 1 8.282 0.02 . 1 . . . . 57 ALA H . 15353 1 676 . 1 1 57 57 ALA HA H 1 4.553 0.02 . 1 . . . . 57 ALA HA . 15353 1 677 . 1 1 57 57 ALA HB1 H 1 1.349 0.02 . 1 . . . . 57 ALA HB . 15353 1 678 . 1 1 57 57 ALA HB2 H 1 1.349 0.02 . 1 . . . . 57 ALA HB . 15353 1 679 . 1 1 57 57 ALA HB3 H 1 1.349 0.02 . 1 . . . . 57 ALA HB . 15353 1 680 . 1 1 57 57 ALA CA C 13 50.443 0.1 . 1 . . . . 57 ALA CA . 15353 1 681 . 1 1 57 57 ALA CB C 13 18.082 0.1 . 1 . . . . 57 ALA CB . 15353 1 682 . 1 1 57 57 ALA N N 15 126.599 0.1 . 1 . . . . 57 ALA N . 15353 1 683 . 1 1 58 58 PRO HA H 1 4.405 0.02 . 1 . . . . 58 PRO HA . 15353 1 684 . 1 1 58 58 PRO HB2 H 1 1.894 0.02 . 2 . . . . 58 PRO HB2 . 15353 1 685 . 1 1 58 58 PRO HB3 H 1 2.284 0.02 . 2 . . . . 58 PRO HB3 . 15353 1 686 . 1 1 58 58 PRO HD2 H 1 3.619 0.02 . 2 . . . . 58 PRO HD2 . 15353 1 687 . 1 1 58 58 PRO HD3 H 1 3.779 0.02 . 2 . . . . 58 PRO HD3 . 15353 1 688 . 1 1 58 58 PRO HG2 H 1 2.004 0.02 . 2 . . . . 58 PRO HG2 . 15353 1 689 . 1 1 58 58 PRO HG3 H 1 2.004 0.02 . 2 . . . . 58 PRO HG3 . 15353 1 690 . 1 1 58 58 PRO C C 13 176.635 0.1 . 1 . . . . 58 PRO C . 15353 1 691 . 1 1 58 58 PRO CA C 13 62.845 0.1 . 1 . . . . 58 PRO CA . 15353 1 692 . 1 1 58 58 PRO CB C 13 32.042 0.1 . 1 . . . . 58 PRO CB . 15353 1 693 . 1 1 58 58 PRO CD C 13 50.409 0.1 . 1 . . . . 58 PRO CD . 15353 1 694 . 1 1 58 58 PRO CG C 13 27.343 0.1 . 1 . . . . 58 PRO CG . 15353 1 695 . 1 1 59 59 ALA H H 1 8.370 0.02 . 1 . . . . 59 ALA H . 15353 1 696 . 1 1 59 59 ALA HA H 1 4.268 0.02 . 1 . . . . 59 ALA HA . 15353 1 697 . 1 1 59 59 ALA HB1 H 1 1.369 0.02 . 1 . . . . 59 ALA HB . 15353 1 698 . 1 1 59 59 ALA HB2 H 1 1.369 0.02 . 1 . . . . 59 ALA HB . 15353 1 699 . 1 1 59 59 ALA HB3 H 1 1.369 0.02 . 1 . . . . 59 ALA HB . 15353 1 700 . 1 1 59 59 ALA C C 13 177.542 0.1 . 1 . . . . 59 ALA C . 15353 1 701 . 1 1 59 59 ALA CA C 13 52.327 0.1 . 1 . . . . 59 ALA CA . 15353 1 702 . 1 1 59 59 ALA CB C 13 19.156 0.1 . 1 . . . . 59 ALA CB . 15353 1 703 . 1 1 59 59 ALA N N 15 124.314 0.1 . 1 . . . . 59 ALA N . 15353 1 704 . 1 1 60 60 GLN H H 1 8.309 0.02 . 1 . . . . 60 GLN H . 15353 1 705 . 1 1 60 60 GLN HA H 1 4.617 0.02 . 1 . . . . 60 GLN HA . 15353 1 706 . 1 1 60 60 GLN HB2 H 1 1.925 0.02 . 2 . . . . 60 GLN HB2 . 15353 1 707 . 1 1 60 60 GLN HB3 H 1 2.098 0.02 . 2 . . . . 60 GLN HB3 . 15353 1 708 . 1 1 60 60 GLN HE21 H 1 7.546 0.02 . 2 . . . . 60 GLN HE21 . 15353 1 709 . 1 1 60 60 GLN HE22 H 1 6.872 0.02 . 2 . . . . 60 GLN HE22 . 15353 1 710 . 1 1 60 60 GLN HG2 H 1 2.375 0.02 . 2 . . . . 60 GLN HG2 . 15353 1 711 . 1 1 60 60 GLN HG3 H 1 2.375 0.02 . 2 . . . . 60 GLN HG3 . 15353 1 712 . 1 1 60 60 GLN CA C 13 53.532 0.1 . 1 . . . . 60 GLN CA . 15353 1 713 . 1 1 60 60 GLN CB C 13 29.028 0.1 . 1 . . . . 60 GLN CB . 15353 1 714 . 1 1 60 60 GLN CG C 13 33.431 0.1 . 1 . . . . 60 GLN CG . 15353 1 715 . 1 1 60 60 GLN N N 15 120.153 0.1 . 1 . . . . 60 GLN N . 15353 1 716 . 1 1 60 60 GLN NE2 N 15 112.435 0.1 . 1 . . . . 60 GLN NE2 . 15353 1 717 . 1 1 61 61 PRO HA H 1 4.415 0.02 . 1 . . . . 61 PRO HA . 15353 1 718 . 1 1 61 61 PRO HB2 H 1 1.907 0.02 . 1 . . . . 61 PRO HB2 . 15353 1 719 . 1 1 61 61 PRO HB3 H 1 2.290 0.02 . 1 . . . . 61 PRO HB3 . 15353 1 720 . 1 1 61 61 PRO HD2 H 1 3.677 0.02 . 2 . . . . 61 PRO HD2 . 15353 1 721 . 1 1 61 61 PRO HD3 H 1 3.769 0.02 . 2 . . . . 61 PRO HD3 . 15353 1 722 . 1 1 61 61 PRO HG2 H 1 2.016 0.02 . 2 . . . . 61 PRO HG2 . 15353 1 723 . 1 1 61 61 PRO HG3 H 1 2.016 0.02 . 2 . . . . 61 PRO HG3 . 15353 1 724 . 1 1 61 61 PRO C C 13 176.924 0.1 . 1 . . . . 61 PRO C . 15353 1 725 . 1 1 61 61 PRO CA C 13 63.280 0.1 . 1 . . . . 61 PRO CA . 15353 1 726 . 1 1 61 61 PRO CB C 13 32.009 0.1 . 1 . . . . 61 PRO CB . 15353 1 727 . 1 1 61 61 PRO CD C 13 50.613 0.1 . 1 . . . . 61 PRO CD . 15353 1 728 . 1 1 61 61 PRO CG C 13 27.292 0.1 . 1 . . . . 61 PRO CG . 15353 1 729 . 1 1 62 62 SER H H 1 8.386 0.02 . 1 . . . . 62 SER H . 15353 1 730 . 1 1 62 62 SER HA H 1 4.425 0.02 . 1 . . . . 62 SER HA . 15353 1 731 . 1 1 62 62 SER HB2 H 1 3.843 0.02 . 2 . . . . 62 SER HB2 . 15353 1 732 . 1 1 62 62 SER HB3 H 1 3.907 0.02 . 2 . . . . 62 SER HB3 . 15353 1 733 . 1 1 62 62 SER C C 13 174.822 0.1 . 1 . . . . 62 SER C . 15353 1 734 . 1 1 62 62 SER CA C 13 58.211 0.1 . 1 . . . . 62 SER CA . 15353 1 735 . 1 1 62 62 SER CB C 13 63.683 0.1 . 1 . . . . 62 SER CB . 15353 1 736 . 1 1 62 62 SER N N 15 115.641 0.1 . 1 . . . . 62 SER N . 15353 1 737 . 1 1 63 63 LEU H H 1 8.292 0.02 . 1 . . . . 63 LEU H . 15353 1 738 . 1 1 63 63 LEU HA H 1 4.320 0.02 . 1 . . . . 63 LEU HA . 15353 1 739 . 1 1 63 63 LEU HB2 H 1 1.572 0.02 . 2 . . . . 63 LEU HB2 . 15353 1 740 . 1 1 63 63 LEU HB3 H 1 1.572 0.02 . 2 . . . . 63 LEU HB3 . 15353 1 741 . 1 1 63 63 LEU HD11 H 1 0.897 0.02 . 1 . . . . 63 LEU HD1 . 15353 1 742 . 1 1 63 63 LEU HD12 H 1 0.897 0.02 . 1 . . . . 63 LEU HD1 . 15353 1 743 . 1 1 63 63 LEU HD13 H 1 0.897 0.02 . 1 . . . . 63 LEU HD1 . 15353 1 744 . 1 1 63 63 LEU HD21 H 1 0.835 0.02 . 1 . . . . 63 LEU HD2 . 15353 1 745 . 1 1 63 63 LEU HD22 H 1 0.835 0.02 . 1 . . . . 63 LEU HD2 . 15353 1 746 . 1 1 63 63 LEU HD23 H 1 0.835 0.02 . 1 . . . . 63 LEU HD2 . 15353 1 747 . 1 1 63 63 LEU HG H 1 1.596 0.02 . 1 . . . . 63 LEU HG . 15353 1 748 . 1 1 63 63 LEU C C 13 177.398 0.1 . 1 . . . . 63 LEU C . 15353 1 749 . 1 1 63 63 LEU CA C 13 55.274 0.1 . 1 . . . . 63 LEU CA . 15353 1 750 . 1 1 63 63 LEU CB C 13 42.195 0.1 . 1 . . . . 63 LEU CB . 15353 1 751 . 1 1 63 63 LEU CD1 C 13 24.889 0.1 . 1 . . . . 63 LEU CD1 . 15353 1 752 . 1 1 63 63 LEU CD2 C 13 23.330 0.1 . 1 . . . . 63 LEU CD2 . 15353 1 753 . 1 1 63 63 LEU CG C 13 26.882 0.1 . 1 . . . . 63 LEU CG . 15353 1 754 . 1 1 63 63 LEU N N 15 124.255 0.1 . 1 . . . . 63 LEU N . 15353 1 755 . 1 1 64 64 GLU H H 1 8.232 0.02 . 1 . . . . 64 GLU H . 15353 1 756 . 1 1 64 64 GLU HA H 1 4.162 0.02 . 1 . . . . 64 GLU HA . 15353 1 757 . 1 1 64 64 GLU HB2 H 1 1.837 0.02 . 2 . . . . 64 GLU HB2 . 15353 1 758 . 1 1 64 64 GLU HB3 H 1 1.884 0.02 . 2 . . . . 64 GLU HB3 . 15353 1 759 . 1 1 64 64 GLU HG2 H 1 2.126 0.02 . 2 . . . . 64 GLU HG2 . 15353 1 760 . 1 1 64 64 GLU HG3 H 1 2.190 0.02 . 2 . . . . 64 GLU HG3 . 15353 1 761 . 1 1 64 64 GLU C C 13 176.306 0.1 . 1 . . . . 64 GLU C . 15353 1 762 . 1 1 64 64 GLU CA C 13 56.627 0.1 . 1 . . . . 64 GLU CA . 15353 1 763 . 1 1 64 64 GLU CB C 13 30.145 0.1 . 1 . . . . 64 GLU CB . 15353 1 764 . 1 1 64 64 GLU CG C 13 36.082 0.1 . 1 . . . . 64 GLU CG . 15353 1 765 . 1 1 64 64 GLU N N 15 120.622 0.1 . 1 . . . . 64 GLU N . 15353 1 766 . 1 1 65 65 HIS H H 1 8.263 0.02 . 1 . . . . 65 HIS H . 15353 1 767 . 1 1 65 65 HIS C C 13 173.874 0.1 . 1 . . . . 65 HIS C . 15353 1 768 . 1 1 65 65 HIS CA C 13 55.890 0.1 . 1 . . . . 65 HIS CA . 15353 1 769 . 1 1 65 65 HIS N N 15 119.450 0.1 . 1 . . . . 65 HIS N . 15353 1 770 . 1 1 66 66 HIS H H 1 8.154 0.02 . 1 . . . . 66 HIS H . 15353 1 771 . 1 1 66 66 HIS CA C 13 57.161 0.1 . 1 . . . . 66 HIS CA . 15353 1 772 . 1 1 66 66 HIS CB C 13 30.171 0.1 . 1 . . . . 66 HIS CB . 15353 1 773 . 1 1 66 66 HIS N N 15 125.310 0.1 . 1 . . . . 66 HIS N . 15353 1 stop_ save_