data_17821 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17821 _Entry.Title ; Human C30S/C59S-Cox17 mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-01 _Entry.Accession_date 2011-08-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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.Entry_ID 1 Ivano Bertini . . . 17821 2 Simone Ciofi-Baffoni . . . 17821 3 Angelo Gallo . . . 17821 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' . 17821 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Copper chaperone' . 17821 'Disulphide bond' . 17821 IMS . 17821 'Mitochondrial protein' . 17821 NMR . 17821 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17821 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 17821 '15N chemical shifts' 54 17821 '1H chemical shifts' 221 17821 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 . . 2012-02-15 2011-08-01 update BMRB 'update entry citation' 17821 1 . . 2011-09-13 2011-08-01 original author 'original release' 17821 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LGQ 'BMRB Entry Tracking System' 17821 PDB 2rn9 . 17821 stop_ save_ ############### # Citations # ############### save_Article _Citation.Sf_category citations _Citation.Sf_framecode Article _Citation.Entry_ID 17821 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21816817 _Citation.Full_citation . _Citation.Title 'Functional role of two interhelical disulfide bonds in human Cox17 protein from a structural perspective.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 39 _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 34382 _Citation.Page_last 34390 _Citation.Year 2011 _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 Lucia Banci . . . 17821 1 2 Ivano Bertini . . . 17821 1 3 Chiara Cefaro . . . 17821 1 4 Simone Ciofi-Baffoni . . . 17821 1 5 Angelo Gallo . . . 17821 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17821 _Assembly.ID 1 _Assembly.Name 'Human C30S/C59S-Cox17 mutant' _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 'Human C30S/C59S-Cox17 mutant' 1 $C30S_C59S-Cox17_mutant A . yes native no no . . . 17821 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'Human C30S/C59S-Cox17 mutant' 1 CYS 40 40 SG . 1 'Human C30S/C59S-Cox17 mutant' 1 CYS 49 49 SG . 'Human C30S/C59S-Cox17 mutant' 40 CYS SG . 'Human C30S/C59S-Cox17 mutant' 49 CYS SG 17112 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C30S_C59S-Cox17_mutant _Entity.Sf_category entity _Entity.Sf_framecode C30S_C59S-Cox17_mutant _Entity.Entry_ID 17821 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human C30S/C59S-Cox17 mutant' _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 ; GSFTMPGLVDSNPAPPESQE KKPLKPCCASPETKKARDAC IIEKGEEHCGHLIEAHKESM RALGFKI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GSFT residues are present as cloning artifacts' _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; CYS 30 is mutated to SER CYS 59 is mutated to SER ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7288.475 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11019 . Cox17 . . . . . 100.00 67 97.01 97.01 7.71e-38 . . . . 17821 1 2 no BMRB 11020 . Cox17 . . . . . 100.00 67 97.01 97.01 7.71e-38 . . . . 17821 1 3 no PDB 2LGQ . "Human C30sC59S-Cox17 Mutant" . . . . . 100.00 67 100.00 100.00 1.28e-39 . . . . 17821 1 4 no PDB 2RN9 . "Solution Structure Of Human Apocox17" . . . . . 100.00 67 97.01 97.01 7.71e-38 . . . . 17821 1 5 no PDB 2RNB . "Solution Structure Of Human Cu(I)cox17" . . . . . 100.00 67 97.01 97.01 7.71e-38 . . . . 17821 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17821 1 2 . SER . 17821 1 3 . PHE . 17821 1 4 . THR . 17821 1 5 . MET . 17821 1 6 . PRO . 17821 1 7 . GLY . 17821 1 8 . LEU . 17821 1 9 . VAL . 17821 1 10 . ASP . 17821 1 11 . SER . 17821 1 12 . ASN . 17821 1 13 . PRO . 17821 1 14 . ALA . 17821 1 15 . PRO . 17821 1 16 . PRO . 17821 1 17 . GLU . 17821 1 18 . SER . 17821 1 19 . GLN . 17821 1 20 . GLU . 17821 1 21 . LYS . 17821 1 22 . LYS . 17821 1 23 . PRO . 17821 1 24 . LEU . 17821 1 25 . LYS . 17821 1 26 . PRO . 17821 1 27 . CYS . 17821 1 28 . CYS . 17821 1 29 . ALA . 17821 1 30 . SER . 17821 1 31 . PRO . 17821 1 32 . GLU . 17821 1 33 . THR . 17821 1 34 . LYS . 17821 1 35 . LYS . 17821 1 36 . ALA . 17821 1 37 . ARG . 17821 1 38 . ASP . 17821 1 39 . ALA . 17821 1 40 . CYS . 17821 1 41 . ILE . 17821 1 42 . ILE . 17821 1 43 . GLU . 17821 1 44 . LYS . 17821 1 45 . GLY . 17821 1 46 . GLU . 17821 1 47 . GLU . 17821 1 48 . HIS . 17821 1 49 . CYS . 17821 1 50 . GLY . 17821 1 51 . HIS . 17821 1 52 . LEU . 17821 1 53 . ILE . 17821 1 54 . GLU . 17821 1 55 . ALA . 17821 1 56 . HIS . 17821 1 57 . LYS . 17821 1 58 . GLU . 17821 1 59 . SER . 17821 1 60 . MET . 17821 1 61 . ARG . 17821 1 62 . ALA . 17821 1 63 . LEU . 17821 1 64 . GLY . 17821 1 65 . PHE . 17821 1 66 . LYS . 17821 1 67 . ILE . 17821 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 17821 1 . SER 2 2 17821 1 . PHE 3 3 17821 1 . THR 4 4 17821 1 . MET 5 5 17821 1 . PRO 6 6 17821 1 . GLY 7 7 17821 1 . LEU 8 8 17821 1 . VAL 9 9 17821 1 . ASP 10 10 17821 1 . SER 11 11 17821 1 . ASN 12 12 17821 1 . PRO 13 13 17821 1 . ALA 14 14 17821 1 . PRO 15 15 17821 1 . PRO 16 16 17821 1 . GLU 17 17 17821 1 . SER 18 18 17821 1 . GLN 19 19 17821 1 . GLU 20 20 17821 1 . LYS 21 21 17821 1 . LYS 22 22 17821 1 . PRO 23 23 17821 1 . LEU 24 24 17821 1 . LYS 25 25 17821 1 . PRO 26 26 17821 1 . CYS 27 27 17821 1 . CYS 28 28 17821 1 . ALA 29 29 17821 1 . SER 30 30 17821 1 . PRO 31 31 17821 1 . GLU 32 32 17821 1 . THR 33 33 17821 1 . LYS 34 34 17821 1 . LYS 35 35 17821 1 . ALA 36 36 17821 1 . ARG 37 37 17821 1 . ASP 38 38 17821 1 . ALA 39 39 17821 1 . CYS 40 40 17821 1 . ILE 41 41 17821 1 . ILE 42 42 17821 1 . GLU 43 43 17821 1 . LYS 44 44 17821 1 . GLY 45 45 17821 1 . GLU 46 46 17821 1 . GLU 47 47 17821 1 . HIS 48 48 17821 1 . CYS 49 49 17821 1 . GLY 50 50 17821 1 . HIS 51 51 17821 1 . LEU 52 52 17821 1 . ILE 53 53 17821 1 . GLU 54 54 17821 1 . ALA 55 55 17821 1 . HIS 56 56 17821 1 . LYS 57 57 17821 1 . GLU 58 58 17821 1 . SER 59 59 17821 1 . MET 60 60 17821 1 . ARG 61 61 17821 1 . ALA 62 62 17821 1 . LEU 63 63 17821 1 . GLY 64 64 17821 1 . PHE 65 65 17821 1 . LYS 66 66 17821 1 . ILE 67 67 17821 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 17821 _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 $C30S_C59S-Cox17_mutant . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17821 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 17821 _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 $C30S_C59S-Cox17_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-Origami(DE3) . . . . . . . . . . . . . . . pET-11c . . . . . . 17821 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17821 _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 C30S/C59S-Cox17_mutant '[U-100% 15N]' . . 1 $C30S_C59S-Cox17_mutant . . 0.5 . . mM . . . . 17821 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17821 1 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17821 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17821 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17821 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17821 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17821 _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 C30S/C59S-Cox17_mutant '[U-99% 13C; U-99% 15N]' . . 1 $C30S_C59S-Cox17_mutant . . 1 . . mM . . . . 17821 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17821 2 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17821 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17821 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17821 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17821 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 17821 _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' 50 . mM 17821 1 pH 7.2 . pH 17821 1 pressure 1 . atm 17821 1 temperature 298 . K 17821 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17821 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17821 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17821 1 'data analysis' 17821 1 processing 17821 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17821 _Software.ID 2 _Software.Name CARA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17821 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17821 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17821 _Software.ID 3 _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' . . 17821 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17821 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17821 _Software.ID 4 _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' . . 17821 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17821 4 stop_ save_ save_PECAN _Software.Sf_category software _Software.Sf_framecode PECAN _Software.Entry_ID 17821 _Software.ID 5 _Software.Name PECAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eghbalnia, Wang, Bahrami, Assadi, and Markley' . . 17821 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17821 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17821 _Software.ID 6 _Software.Name AMBER _Software.Version 11.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17821 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17821 6 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 17821 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17821 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17821 _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 . 900 . . . 17821 1 2 spectrometer_2 Bruker Avance . 500 . . . 17821 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 17821 _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 . . . . . . . . . . . . . . . . 17821 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17821 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17821 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17821 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17821 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17821 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17821 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17821 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17821 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17821 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17821 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 17821 _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 n/a indirect 0.251449530 . . . . . . . . . 17821 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17821 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.101329118 . . . . . . . . . 17821 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 17821 _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' . . . 17821 1 3 '3D HNCACB' . . . 17821 1 6 '3D HNCO' . . . 17821 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 4 4 THR H H 1 7.98 0.02 . 1 . . . A 4 THR H . 17821 1 2 . 1 1 4 4 THR HA H 1 4.13 0.02 . 1 . . . A 4 THR HA . 17821 1 3 . 1 1 4 4 THR HB H 1 3.93 0.02 . 1 . . . A 4 THR HB . 17821 1 4 . 1 1 4 4 THR C C 13 170.8 0.3 . 1 . . . A 4 THR C . 17821 1 5 . 1 1 4 4 THR CA C 13 58.8 0.3 . 1 . . . A 4 THR CA . 17821 1 6 . 1 1 4 4 THR CB C 13 67.0 0.3 . 1 . . . A 4 THR CB . 17821 1 7 . 1 1 4 4 THR CG2 C 13 18.8 0.3 . 1 . . . A 4 THR CG2 . 17821 1 8 . 1 1 4 4 THR N N 15 117.4 0.3 . 1 . . . A 4 THR N . 17821 1 9 . 1 1 5 5 MET H H 1 8.25 0.02 . 1 . . . A 5 MET H . 17821 1 10 . 1 1 5 5 MET C C 13 171.2 0.3 . 1 . . . A 5 MET C . 17821 1 11 . 1 1 5 5 MET CA C 13 50.4 0.3 . 1 . . . A 5 MET CA . 17821 1 12 . 1 1 5 5 MET CB C 13 29.6 0.3 . 1 . . . A 5 MET CB . 17821 1 13 . 1 1 5 5 MET N N 15 124.4 0.3 . 1 . . . A 5 MET N . 17821 1 14 . 1 1 6 6 PRO HA H 1 4.28 0.02 . 1 . . . A 6 PRO HA . 17821 1 15 . 1 1 6 6 PRO HB2 H 1 2.17 0.02 . 2 . . . A 6 PRO HB2 . 17821 1 16 . 1 1 6 6 PRO HB3 H 1 1.81 0.02 . 2 . . . A 6 PRO HB3 . 17821 1 17 . 1 1 6 6 PRO HD2 H 1 3.71 0.02 . 2 . . . A 6 PRO HD2 . 17821 1 18 . 1 1 6 6 PRO HD3 H 1 3.60 0.02 . 2 . . . A 6 PRO HD3 . 17821 1 19 . 1 1 6 6 PRO CA C 13 60.5 0.3 . 1 . . . A 6 PRO CA . 17821 1 20 . 1 1 6 6 PRO CB C 13 29.2 0.3 . 1 . . . A 6 PRO CB . 17821 1 21 . 1 1 6 6 PRO CG C 13 24.6 0.3 . 1 . . . A 6 PRO CG . 17821 1 22 . 1 1 6 6 PRO CD C 13 47.8 0.3 . 1 . . . A 6 PRO CD . 17821 1 23 . 1 1 7 7 GLY H H 1 8.36 0.02 . 1 . . . A 7 GLY H . 17821 1 24 . 1 1 7 7 GLY HA2 H 1 3.80 0.02 . 2 . . . A 7 GLY HA2 . 17821 1 25 . 1 1 7 7 GLY HA3 H 1 3.76 0.02 . 2 . . . A 7 GLY HA3 . 17821 1 26 . 1 1 7 7 GLY C C 13 171.2 0.3 . 1 . . . A 7 GLY C . 17821 1 27 . 1 1 7 7 GLY CA C 13 42.4 0.3 . 1 . . . A 7 GLY CA . 17821 1 28 . 1 1 7 7 GLY N N 15 109.0 0.3 . 1 . . . A 7 GLY N . 17821 1 29 . 1 1 8 8 LEU H H 1 7.92 0.02 . 1 . . . A 8 LEU H . 17821 1 30 . 1 1 8 8 LEU HA H 1 4.26 0.02 . 1 . . . A 8 LEU HA . 17821 1 31 . 1 1 8 8 LEU HB2 H 1 1.48 0.02 . 2 . . . A 8 LEU HB2 . 17821 1 32 . 1 1 8 8 LEU HB3 H 1 1.42 0.02 . 2 . . . A 8 LEU HB3 . 17821 1 33 . 1 1 8 8 LEU HG H 1 1.52 0.02 . 1 . . . A 8 LEU HG . 17821 1 34 . 1 1 8 8 LEU C C 13 174.6 0.3 . 1 . . . A 8 LEU C . 17821 1 35 . 1 1 8 8 LEU CA C 13 52.3 0.3 . 1 . . . A 8 LEU CA . 17821 1 36 . 1 1 8 8 LEU CB C 13 39.4 0.3 . 1 . . . A 8 LEU CB . 17821 1 37 . 1 1 8 8 LEU CG C 13 24.1 0.3 . 1 . . . A 8 LEU CG . 17821 1 38 . 1 1 8 8 LEU CD1 C 13 21.9 0.3 . 1 . . . A 8 LEU CD1 . 17821 1 39 . 1 1 8 8 LEU CD2 C 13 20.8 0.3 . 1 . . . A 8 LEU CD2 . 17821 1 40 . 1 1 8 8 LEU N N 15 121.7 0.3 . 1 . . . A 8 LEU N . 17821 1 41 . 1 1 9 9 VAL H H 1 8.05 0.02 . 1 . . . A 9 VAL H . 17821 1 42 . 1 1 9 9 VAL HA H 1 3.98 0.02 . 1 . . . A 9 VAL HA . 17821 1 43 . 1 1 9 9 VAL HB H 1 1.93 0.02 . 1 . . . A 9 VAL HB . 17821 1 44 . 1 1 9 9 VAL HG21 H 1 0.78 0.02 . 1 . . . A 9 VAL HG21 . 17821 1 45 . 1 1 9 9 VAL HG22 H 1 0.78 0.02 . 1 . . . A 9 VAL HG22 . 17821 1 46 . 1 1 9 9 VAL HG23 H 1 0.78 0.02 . 1 . . . A 9 VAL HG23 . 17821 1 47 . 1 1 9 9 VAL C C 13 172.9 0.3 . 1 . . . A 9 VAL C . 17821 1 48 . 1 1 9 9 VAL CA C 13 59.4 0.3 . 1 . . . A 9 VAL CA . 17821 1 49 . 1 1 9 9 VAL CB C 13 30.0 0.3 . 1 . . . A 9 VAL CB . 17821 1 50 . 1 1 9 9 VAL CG1 C 13 18.3 0.3 . 1 . . . A 9 VAL CG1 . 17821 1 51 . 1 1 9 9 VAL CG2 C 13 17.7 0.3 . 1 . . . A 9 VAL CG2 . 17821 1 52 . 1 1 9 9 VAL N N 15 120.9 0.3 . 1 . . . A 9 VAL N . 17821 1 53 . 1 1 10 10 ASP H H 1 8.30 0.02 . 1 . . . A 10 ASP H . 17821 1 54 . 1 1 10 10 ASP HA H 1 4.47 0.02 . 1 . . . A 10 ASP HA . 17821 1 55 . 1 1 10 10 ASP HB2 H 1 2.59 0.02 . 2 . . . A 10 ASP HB2 . 17821 1 56 . 1 1 10 10 ASP HB3 H 1 2.46 0.02 . 2 . . . A 10 ASP HB3 . 17821 1 57 . 1 1 10 10 ASP C C 13 173.1 0.3 . 1 . . . A 10 ASP C . 17821 1 58 . 1 1 10 10 ASP CA C 13 51.5 0.3 . 1 . . . A 10 ASP CA . 17821 1 59 . 1 1 10 10 ASP CB C 13 38.3 0.3 . 1 . . . A 10 ASP CB . 17821 1 60 . 1 1 10 10 ASP N N 15 124.3 0.3 . 1 . . . A 10 ASP N . 17821 1 61 . 1 1 11 11 SER H H 1 8.13 0.02 . 1 . . . A 11 SER H . 17821 1 62 . 1 1 11 11 SER HA H 1 4.29 0.02 . 1 . . . A 11 SER HA . 17821 1 63 . 1 1 11 11 SER C C 13 171.2 0.3 . 1 . . . A 11 SER C . 17821 1 64 . 1 1 11 11 SER CA C 13 55.5 0.3 . 1 . . . A 11 SER CA . 17821 1 65 . 1 1 11 11 SER CB C 13 60.9 0.3 . 1 . . . A 11 SER CB . 17821 1 66 . 1 1 11 11 SER N N 15 116.4 0.3 . 1 . . . A 11 SER N . 17821 1 67 . 1 1 12 12 ASN H H 1 8.36 0.02 . 1 . . . A 12 ASN H . 17821 1 68 . 1 1 12 12 ASN HA H 1 4.23 0.02 . 1 . . . A 12 ASN HA . 17821 1 69 . 1 1 12 12 ASN HB2 H 1 2.67 0.02 . 2 . . . A 12 ASN HB2 . 17821 1 70 . 1 1 12 12 ASN HB3 H 1 2.57 0.02 . 2 . . . A 12 ASN HB3 . 17821 1 71 . 1 1 12 12 ASN C C 13 170.0 0.3 . 1 . . . A 12 ASN C . 17821 1 72 . 1 1 12 12 ASN CA C 13 56.5 0.3 . 1 . . . A 12 ASN CA . 17821 1 73 . 1 1 12 12 ASN CB C 13 36.0 0.3 . 1 . . . A 12 ASN CB . 17821 1 74 . 1 1 12 12 ASN N N 15 121.6 0.3 . 1 . . . A 12 ASN N . 17821 1 75 . 1 1 13 13 PRO HA H 1 4.29 0.02 . 1 . . . A 13 PRO HA . 17821 1 76 . 1 1 13 13 PRO HB2 H 1 2.13 0.02 . 2 . . . A 13 PRO HB2 . 17821 1 77 . 1 1 13 13 PRO HB3 H 1 1.74 0.02 . 2 . . . A 13 PRO HB3 . 17821 1 78 . 1 1 13 13 PRO HD2 H 1 3.70 0.02 . 2 . . . A 13 PRO HD2 . 17821 1 79 . 1 1 13 13 PRO HD3 H 1 3.62 0.02 . 2 . . . A 13 PRO HD3 . 17821 1 80 . 1 1 13 13 PRO CA C 13 60.3 0.3 . 1 . . . A 13 PRO CA . 17821 1 81 . 1 1 13 13 PRO CB C 13 29.2 0.3 . 1 . . . A 13 PRO CB . 17821 1 82 . 1 1 13 13 PRO CG C 13 24.5 0.3 . 1 . . . A 13 PRO CG . 17821 1 83 . 1 1 13 13 PRO CD C 13 47.7 0.3 . 1 . . . A 13 PRO CD . 17821 1 84 . 1 1 14 14 ALA H H 1 8.26 0.02 . 1 . . . A 14 ALA H . 17821 1 85 . 1 1 14 14 ALA HA H 1 4.41 0.02 . 1 . . . A 14 ALA HA . 17821 1 86 . 1 1 14 14 ALA C C 13 172.2 0.3 . 1 . . . A 14 ALA C . 17821 1 87 . 1 1 14 14 ALA CA C 13 47.5 0.3 . 1 . . . A 14 ALA CA . 17821 1 88 . 1 1 14 14 ALA CB C 13 15.1 0.3 . 1 . . . A 14 ALA CB . 17821 1 89 . 1 1 14 14 ALA N N 15 125.7 0.3 . 1 . . . A 14 ALA N . 17821 1 90 . 1 1 16 16 PRO HA H 1 4.28 0.02 . 1 . . . A 16 PRO HA . 17821 1 91 . 1 1 16 16 PRO HB2 H 1 2.18 0.02 . 2 . . . A 16 PRO HB2 . 17821 1 92 . 1 1 16 16 PRO HB3 H 1 1.80 0.02 . 2 . . . A 16 PRO HB3 . 17821 1 93 . 1 1 16 16 PRO HD2 H 1 3.72 0.02 . 2 . . . A 16 PRO HD2 . 17821 1 94 . 1 1 16 16 PRO HD3 H 1 3.61 0.02 . 2 . . . A 16 PRO HD3 . 17821 1 95 . 1 1 16 16 PRO CA C 13 60.5 0.3 . 1 . . . A 16 PRO CA . 17821 1 96 . 1 1 16 16 PRO CB C 13 29.2 0.3 . 1 . . . A 16 PRO CB . 17821 1 97 . 1 1 16 16 PRO CG C 13 24.6 0.3 . 1 . . . A 16 PRO CG . 17821 1 98 . 1 1 16 16 PRO CD C 13 47.8 0.3 . 1 . . . A 16 PRO CD . 17821 1 99 . 1 1 17 17 GLU H H 1 8.55 0.02 . 1 . . . A 17 GLU H . 17821 1 100 . 1 1 17 17 GLU HA H 1 4.12 0.02 . 1 . . . A 17 GLU HA . 17821 1 101 . 1 1 17 17 GLU HB2 H 1 1.91 0.02 . 2 . . . A 17 GLU HB2 . 17821 1 102 . 1 1 17 17 GLU HB3 H 1 1.83 0.02 . 2 . . . A 17 GLU HB3 . 17821 1 103 . 1 1 17 17 GLU HG2 H 1 2.19 0.02 . 2 . . . A 17 GLU HG2 . 17821 1 104 . 1 1 17 17 GLU HG3 H 1 2.15 0.02 . 2 . . . A 17 GLU HG3 . 17821 1 105 . 1 1 17 17 GLU C C 13 173.9 0.3 . 1 . . . A 17 GLU C . 17821 1 106 . 1 1 17 17 GLU CA C 13 54.1 0.3 . 1 . . . A 17 GLU CA . 17821 1 107 . 1 1 17 17 GLU CB C 13 27.1 0.3 . 1 . . . A 17 GLU CB . 17821 1 108 . 1 1 17 17 GLU CG C 13 33.3 0.3 . 1 . . . A 17 GLU CG . 17821 1 109 . 1 1 17 17 GLU N N 15 120.6 0.3 . 1 . . . A 17 GLU N . 17821 1 110 . 1 1 18 18 SER H H 1 8.24 0.02 . 1 . . . A 18 SER H . 17821 1 111 . 1 1 18 18 SER HA H 1 4.31 0.02 . 1 . . . A 18 SER HA . 17821 1 112 . 1 1 18 18 SER HB2 H 1 3.78 0.02 . 2 . . . A 18 SER HB2 . 17821 1 113 . 1 1 18 18 SER HB3 H 1 3.73 0.02 . 2 . . . A 18 SER HB3 . 17821 1 114 . 1 1 18 18 SER C C 13 171.9 0.3 . 1 . . . A 18 SER C . 17821 1 115 . 1 1 18 18 SER CA C 13 55.6 0.3 . 1 . . . A 18 SER CA . 17821 1 116 . 1 1 18 18 SER CB C 13 60.8 0.3 . 1 . . . A 18 SER CB . 17821 1 117 . 1 1 18 18 SER N N 15 116.4 0.3 . 1 . . . A 18 SER N . 17821 1 118 . 1 1 19 19 GLN H H 1 8.31 0.02 . 1 . . . A 19 GLN H . 17821 1 119 . 1 1 19 19 GLN HA H 1 4.20 0.02 . 1 . . . A 19 GLN HA . 17821 1 120 . 1 1 19 19 GLN HB2 H 1 1.84 0.02 . 2 . . . A 19 GLN HB2 . 17821 1 121 . 1 1 19 19 GLN HB3 H 1 2.03 0.02 . 2 . . . A 19 GLN HB3 . 17821 1 122 . 1 1 19 19 GLN C C 13 173.1 0.3 . 1 . . . A 19 GLN C . 17821 1 123 . 1 1 19 19 GLN CA C 13 53.0 0.3 . 1 . . . A 19 GLN CA . 17821 1 124 . 1 1 19 19 GLN CB C 13 26.5 0.3 . 1 . . . A 19 GLN CB . 17821 1 125 . 1 1 19 19 GLN CG C 13 31.0 0.3 . 1 . . . A 19 GLN CG . 17821 1 126 . 1 1 19 19 GLN N N 15 122.3 0.3 . 1 . . . A 19 GLN N . 17821 1 127 . 1 1 20 20 GLU H H 1 8.24 0.02 . 1 . . . A 20 GLU H . 17821 1 128 . 1 1 20 20 GLU HA H 1 4.29 0.02 . 1 . . . A 20 GLU HA . 17821 1 129 . 1 1 20 20 GLU HB2 H 1 2.14 0.02 . 2 . . . A 20 GLU HB2 . 17821 1 130 . 1 1 20 20 GLU HB3 H 1 1.82 0.02 . 2 . . . A 20 GLU HB3 . 17821 1 131 . 1 1 20 20 GLU C C 13 173.5 0.3 . 1 . . . A 20 GLU C . 17821 1 132 . 1 1 20 20 GLU CA C 13 53.9 0.3 . 1 . . . A 20 GLU CA . 17821 1 133 . 1 1 20 20 GLU CB C 13 27.4 0.3 . 1 . . . A 20 GLU CB . 17821 1 134 . 1 1 20 20 GLU N N 15 121.6 0.3 . 1 . . . A 20 GLU N . 17821 1 135 . 1 1 21 21 LYS H H 1 8.26 0.02 . 1 . . . A 21 LYS H . 17821 1 136 . 1 1 21 21 LYS HA H 1 4.18 0.02 . 1 . . . A 21 LYS HA . 17821 1 137 . 1 1 21 21 LYS HB2 H 1 1.61 0.02 . 2 . . . A 21 LYS HB2 . 17821 1 138 . 1 1 21 21 LYS HB3 H 1 1.69 0.02 . 2 . . . A 21 LYS HB3 . 17821 1 139 . 1 1 21 21 LYS HG2 H 1 1.32 0.02 . 2 . . . A 21 LYS HG2 . 17821 1 140 . 1 1 21 21 LYS HG3 H 1 1.26 0.02 . 2 . . . A 21 LYS HG3 . 17821 1 141 . 1 1 21 21 LYS C C 13 173.4 0.3 . 1 . . . A 21 LYS C . 17821 1 142 . 1 1 21 21 LYS CA C 13 53.3 0.3 . 1 . . . A 21 LYS CA . 17821 1 143 . 1 1 21 21 LYS CB C 13 29.8 0.3 . 1 . . . A 21 LYS CB . 17821 1 144 . 1 1 21 21 LYS CG C 13 21.9 0.3 . 1 . . . A 21 LYS CG . 17821 1 145 . 1 1 21 21 LYS CD C 13 26.2 0.3 . 1 . . . A 21 LYS CD . 17821 1 146 . 1 1 21 21 LYS CE C 13 39.3 0.3 . 1 . . . A 21 LYS CE . 17821 1 147 . 1 1 21 21 LYS N N 15 122.9 0.3 . 1 . . . A 21 LYS N . 17821 1 148 . 1 1 22 22 LYS H H 1 8.22 0.02 . 1 . . . A 22 LYS H . 17821 1 149 . 1 1 22 22 LYS HA H 1 4.45 0.02 . 1 . . . A 22 LYS HA . 17821 1 150 . 1 1 22 22 LYS HB2 H 1 1.59 0.02 . 2 . . . A 22 LYS HB2 . 17821 1 151 . 1 1 22 22 LYS HB3 H 1 1.69 0.02 . 2 . . . A 22 LYS HB3 . 17821 1 152 . 1 1 22 22 LYS C C 13 171.5 0.3 . 1 . . . A 22 LYS C . 17821 1 153 . 1 1 22 22 LYS CA C 13 51.2 0.3 . 1 . . . A 22 LYS CA . 17821 1 154 . 1 1 22 22 LYS CB C 13 29.5 0.3 . 1 . . . A 22 LYS CB . 17821 1 155 . 1 1 22 22 LYS CG C 13 21.8 0.3 . 1 . . . A 22 LYS CG . 17821 1 156 . 1 1 22 22 LYS CD C 13 26.3 0.3 . 1 . . . A 22 LYS CD . 17821 1 157 . 1 1 22 22 LYS CE C 13 39.2 0.3 . 1 . . . A 22 LYS CE . 17821 1 158 . 1 1 22 22 LYS N N 15 124.0 0.3 . 1 . . . A 22 LYS N . 17821 1 159 . 1 1 23 23 PRO HA H 1 4.29 0.02 . 1 . . . A 23 PRO HA . 17821 1 160 . 1 1 23 23 PRO HB2 H 1 2.16 0.02 . 2 . . . A 23 PRO HB2 . 17821 1 161 . 1 1 23 23 PRO HB3 H 1 1.81 0.02 . 2 . . . A 23 PRO HB3 . 17821 1 162 . 1 1 23 23 PRO HD2 H 1 3.70 0.02 . 2 . . . A 23 PRO HD2 . 17821 1 163 . 1 1 23 23 PRO HD3 H 1 3.53 0.02 . 2 . . . A 23 PRO HD3 . 17821 1 164 . 1 1 23 23 PRO CA C 13 60.1 0.3 . 1 . . . A 23 PRO CA . 17821 1 165 . 1 1 23 23 PRO CB C 13 29.2 0.3 . 1 . . . A 23 PRO CB . 17821 1 166 . 1 1 23 23 PRO CG C 13 24.5 0.3 . 1 . . . A 23 PRO CG . 17821 1 167 . 1 1 23 23 PRO CD C 13 47.7 0.3 . 1 . . . A 23 PRO CD . 17821 1 168 . 1 1 24 24 LEU H H 1 8.27 0.02 . 1 . . . A 24 LEU H . 17821 1 169 . 1 1 24 24 LEU HA H 1 4.16 0.02 . 1 . . . A 24 LEU HA . 17821 1 170 . 1 1 24 24 LEU HG H 1 1.52 0.02 . 1 . . . A 24 LEU HG . 17821 1 171 . 1 1 24 24 LEU C C 13 174.4 0.3 . 1 . . . A 24 LEU C . 17821 1 172 . 1 1 24 24 LEU CA C 13 52.4 0.3 . 1 . . . A 24 LEU CA . 17821 1 173 . 1 1 24 24 LEU CB C 13 39.6 0.3 . 1 . . . A 24 LEU CB . 17821 1 174 . 1 1 24 24 LEU CG C 13 24.2 0.3 . 1 . . . A 24 LEU CG . 17821 1 175 . 1 1 24 24 LEU CD1 C 13 22.0 0.3 . 1 . . . A 24 LEU CD1 . 17821 1 176 . 1 1 24 24 LEU CD2 C 13 19.9 0.3 . 1 . . . A 24 LEU CD2 . 17821 1 177 . 1 1 24 24 LEU N N 15 122.7 0.3 . 1 . . . A 24 LEU N . 17821 1 178 . 1 1 25 25 LYS H H 1 8.18 0.02 . 1 . . . A 25 LYS H . 17821 1 179 . 1 1 25 25 LYS C C 13 171.6 0.3 . 1 . . . A 25 LYS C . 17821 1 180 . 1 1 25 25 LYS CA C 13 50.9 0.3 . 1 . . . A 25 LYS CA . 17821 1 181 . 1 1 25 25 LYS CB C 13 29.8 0.3 . 1 . . . A 25 LYS CB . 17821 1 182 . 1 1 25 25 LYS N N 15 123.4 0.3 . 1 . . . A 25 LYS N . 17821 1 183 . 1 1 28 28 CYS CA C 13 46.0 0.3 . 1 . . . A 28 CYS CA . 17821 1 184 . 1 1 28 28 CYS CB C 13 31.0 0.3 . 1 . . . A 28 CYS CB . 17821 1 185 . 1 1 29 29 ALA H H 1 8.05 0.02 . 1 . . . A 29 ALA H . 17821 1 186 . 1 1 29 29 ALA HA H 1 4.15 0.02 . 1 . . . A 29 ALA HA . 17821 1 187 . 1 1 29 29 ALA C C 13 173.2 0.3 . 1 . . . A 29 ALA C . 17821 1 188 . 1 1 29 29 ALA CA C 13 49.7 0.3 . 1 . . . A 29 ALA CA . 17821 1 189 . 1 1 29 29 ALA CB C 13 17.6 0.3 . 1 . . . A 29 ALA CB . 17821 1 190 . 1 1 29 29 ALA N N 15 123.8 0.3 . 1 . . . A 29 ALA N . 17821 1 191 . 1 1 30 30 SER H H 1 8.27 0.02 . 1 . . . A 30 SER H . 17821 1 192 . 1 1 30 30 SER HA H 1 4.58 0.02 . 1 . . . A 30 SER HA . 17821 1 193 . 1 1 30 30 SER C C 13 173.3 0.3 . 1 . . . A 30 SER C . 17821 1 194 . 1 1 30 30 SER CA C 13 52.6 0.3 . 1 . . . A 30 SER CA . 17821 1 195 . 1 1 30 30 SER CB C 13 59.4 0.3 . 1 . . . A 30 SER CB . 17821 1 196 . 1 1 30 30 SER N N 15 112.8 0.3 . 1 . . . A 30 SER N . 17821 1 197 . 1 1 31 31 PRO HA H 1 4.16 0.02 . 1 . . . A 31 PRO HA . 17821 1 198 . 1 1 31 31 PRO HB2 H 1 2.18 0.02 . 2 . . . A 31 PRO HB2 . 17821 1 199 . 1 1 31 31 PRO HB3 H 1 1.81 0.02 . 2 . . . A 31 PRO HB3 . 17821 1 200 . 1 1 31 31 PRO HD2 H 1 3.71 0.02 . 2 . . . A 31 PRO HD2 . 17821 1 201 . 1 1 31 31 PRO HD3 H 1 3.54 0.02 . 2 . . . A 31 PRO HD3 . 17821 1 202 . 1 1 31 31 PRO CA C 13 61.8 0.3 . 1 . . . A 31 PRO CA . 17821 1 203 . 1 1 31 31 PRO CB C 13 29.3 0.3 . 1 . . . A 31 PRO CB . 17821 1 204 . 1 1 31 31 PRO CG C 13 24.6 0.3 . 1 . . . A 31 PRO CG . 17821 1 205 . 1 1 31 31 PRO CD C 13 47.4 0.3 . 1 . . . A 31 PRO CD . 17821 1 206 . 1 1 32 32 GLU H H 1 8.72 0.02 . 1 . . . A 32 GLU H . 17821 1 207 . 1 1 32 32 GLU HA H 1 4.06 0.02 . 1 . . . A 32 GLU HA . 17821 1 208 . 1 1 32 32 GLU C C 13 177.3 0.3 . 1 . . . A 32 GLU C . 17821 1 209 . 1 1 32 32 GLU CA C 13 56.9 0.3 . 1 . . . A 32 GLU CA . 17821 1 210 . 1 1 32 32 GLU CB C 13 26.0 0.3 . 1 . . . A 32 GLU CB . 17821 1 211 . 1 1 32 32 GLU CG C 13 33.4 0.3 . 1 . . . A 32 GLU CG . 17821 1 212 . 1 1 32 32 GLU N N 15 119.1 0.3 . 1 . . . A 32 GLU N . 17821 1 213 . 1 1 33 33 THR H H 1 7.62 0.02 . 1 . . . A 33 THR H . 17821 1 214 . 1 1 33 33 THR HA H 1 4.04 0.02 . 1 . . . A 33 THR HA . 17821 1 215 . 1 1 33 33 THR HB H 1 4.23 0.02 . 1 . . . A 33 THR HB . 17821 1 216 . 1 1 33 33 THR C C 13 176.0 0.3 . 1 . . . A 33 THR C . 17821 1 217 . 1 1 33 33 THR CA C 13 61.7 0.3 . 1 . . . A 33 THR CA . 17821 1 218 . 1 1 33 33 THR CB C 13 64.1 0.3 . 1 . . . A 33 THR CB . 17821 1 219 . 1 1 33 33 THR CG2 C 13 18.9 0.3 . 1 . . . A 33 THR CG2 . 17821 1 220 . 1 1 33 33 THR N N 15 110.8 0.3 . 1 . . . A 33 THR N . 17821 1 221 . 1 1 34 34 LYS H H 1 7.74 0.02 . 1 . . . A 34 LYS H . 17821 1 222 . 1 1 34 34 LYS HA H 1 2.92 0.02 . 1 . . . A 34 LYS HA . 17821 1 223 . 1 1 34 34 LYS HB2 H 1 1.63 0.02 . 2 . . . A 34 LYS HB2 . 17821 1 224 . 1 1 34 34 LYS HB3 H 1 1.47 0.02 . 2 . . . A 34 LYS HB3 . 17821 1 225 . 1 1 34 34 LYS HD2 H 1 1.34 0.02 . 2 . . . A 34 LYS HD2 . 17821 1 226 . 1 1 34 34 LYS HD3 H 1 1.59 0.02 . 2 . . . A 34 LYS HD3 . 17821 1 227 . 1 1 34 34 LYS C C 13 174.3 0.3 . 1 . . . A 34 LYS C . 17821 1 228 . 1 1 34 34 LYS CA C 13 57.3 0.3 . 1 . . . A 34 LYS CA . 17821 1 229 . 1 1 34 34 LYS CB C 13 30.0 0.3 . 1 . . . A 34 LYS CB . 17821 1 230 . 1 1 34 34 LYS CG C 13 22.5 0.3 . 1 . . . A 34 LYS CG . 17821 1 231 . 1 1 34 34 LYS CD C 13 26.4 0.3 . 1 . . . A 34 LYS CD . 17821 1 232 . 1 1 34 34 LYS CE C 13 39.3 0.3 . 1 . . . A 34 LYS CE . 17821 1 233 . 1 1 34 34 LYS N N 15 127.1 0.3 . 1 . . . A 34 LYS N . 17821 1 234 . 1 1 35 35 LYS H H 1 7.88 0.02 . 1 . . . A 35 LYS H . 17821 1 235 . 1 1 35 35 LYS HA H 1 3.89 0.02 . 1 . . . A 35 LYS HA . 17821 1 236 . 1 1 35 35 LYS HG2 H 1 1.34 0.02 . 2 . . . A 35 LYS HG2 . 17821 1 237 . 1 1 35 35 LYS HG3 H 1 1.42 0.02 . 2 . . . A 35 LYS HG3 . 17821 1 238 . 1 1 35 35 LYS C C 13 176.5 0.3 . 1 . . . A 35 LYS C . 17821 1 239 . 1 1 35 35 LYS CA C 13 56.7 0.3 . 1 . . . A 35 LYS CA . 17821 1 240 . 1 1 35 35 LYS CB C 13 29.5 0.3 . 1 . . . A 35 LYS CB . 17821 1 241 . 1 1 35 35 LYS CG C 13 22.2 0.3 . 1 . . . A 35 LYS CG . 17821 1 242 . 1 1 35 35 LYS CD C 13 26.6 0.3 . 1 . . . A 35 LYS CD . 17821 1 243 . 1 1 35 35 LYS CE C 13 39.1 0.3 . 1 . . . A 35 LYS CE . 17821 1 244 . 1 1 35 35 LYS N N 15 118.5 0.3 . 1 . . . A 35 LYS N . 17821 1 245 . 1 1 36 36 ALA H H 1 7.49 0.02 . 1 . . . A 36 ALA H . 17821 1 246 . 1 1 36 36 ALA HA H 1 4.04 0.02 . 1 . . . A 36 ALA HA . 17821 1 247 . 1 1 36 36 ALA C C 13 177.6 0.3 . 1 . . . A 36 ALA C . 17821 1 248 . 1 1 36 36 ALA CA C 13 52.0 0.3 . 1 . . . A 36 ALA CA . 17821 1 249 . 1 1 36 36 ALA CB C 13 15.4 0.3 . 1 . . . A 36 ALA CB . 17821 1 250 . 1 1 36 36 ALA N N 15 120.1 0.3 . 1 . . . A 36 ALA N . 17821 1 251 . 1 1 37 37 ARG H H 1 7.63 0.02 . 1 . . . A 37 ARG H . 17821 1 252 . 1 1 37 37 ARG HA H 1 3.62 0.02 . 1 . . . A 37 ARG HA . 17821 1 253 . 1 1 37 37 ARG HB2 H 1 1.58 0.02 . 2 . . . A 37 ARG HB2 . 17821 1 254 . 1 1 37 37 ARG HB3 H 1 1.39 0.02 . 2 . . . A 37 ARG HB3 . 17821 1 255 . 1 1 37 37 ARG HG2 H 1 1.22 0.02 . 2 . . . A 37 ARG HG2 . 17821 1 256 . 1 1 37 37 ARG HG3 H 1 1.55 0.02 . 2 . . . A 37 ARG HG3 . 17821 1 257 . 1 1 37 37 ARG C C 13 174.1 0.3 . 1 . . . A 37 ARG C . 17821 1 258 . 1 1 37 37 ARG CA C 13 56.6 0.3 . 1 . . . A 37 ARG CA . 17821 1 259 . 1 1 37 37 ARG CB C 13 27.1 0.3 . 1 . . . A 37 ARG CB . 17821 1 260 . 1 1 37 37 ARG CG C 13 22.8 0.3 . 1 . . . A 37 ARG CG . 17821 1 261 . 1 1 37 37 ARG CD C 13 41.0 0.3 . 1 . . . A 37 ARG CD . 17821 1 262 . 1 1 37 37 ARG N N 15 118.5 0.3 . 1 . . . A 37 ARG N . 17821 1 263 . 1 1 38 38 ASP H H 1 8.68 0.02 . 1 . . . A 38 ASP H . 17821 1 264 . 1 1 38 38 ASP HA H 1 4.27 0.02 . 1 . . . A 38 ASP HA . 17821 1 265 . 1 1 38 38 ASP C C 13 175.5 0.3 . 1 . . . A 38 ASP C . 17821 1 266 . 1 1 38 38 ASP CA C 13 54.7 0.3 . 1 . . . A 38 ASP CA . 17821 1 267 . 1 1 38 38 ASP CB C 13 36.2 0.3 . 1 . . . A 38 ASP CB . 17821 1 268 . 1 1 38 38 ASP N N 15 120.2 0.3 . 1 . . . A 38 ASP N . 17821 1 269 . 1 1 39 39 ALA H H 1 8.04 0.02 . 1 . . . A 39 ALA H . 17821 1 270 . 1 1 39 39 ALA HA H 1 4.01 0.02 . 1 . . . A 39 ALA HA . 17821 1 271 . 1 1 39 39 ALA C C 13 176.8 0.3 . 1 . . . A 39 ALA C . 17821 1 272 . 1 1 39 39 ALA CA C 13 52.1 0.3 . 1 . . . A 39 ALA CA . 17821 1 273 . 1 1 39 39 ALA CB C 13 15.2 0.3 . 1 . . . A 39 ALA CB . 17821 1 274 . 1 1 39 39 ALA N N 15 121.1 0.3 . 1 . . . A 39 ALA N . 17821 1 275 . 1 1 40 40 CYS H H 1 7.34 0.02 . 1 . . . A 40 CYS H . 17821 1 276 . 1 1 40 40 CYS HA H 1 4.18 0.02 . 1 . . . A 40 CYS HA . 17821 1 277 . 1 1 40 40 CYS HB2 H 1 3.29 0.02 . 2 . . . A 40 CYS HB2 . 17821 1 278 . 1 1 40 40 CYS HB3 H 1 2.86 0.02 . 2 . . . A 40 CYS HB3 . 17821 1 279 . 1 1 40 40 CYS C C 13 173.8 0.3 . 1 . . . A 40 CYS C . 17821 1 280 . 1 1 40 40 CYS CA C 13 57.9 0.3 . 1 . . . A 40 CYS CA . 17821 1 281 . 1 1 40 40 CYS CB C 13 36.4 0.3 . 1 . . . A 40 CYS CB . 17821 1 282 . 1 1 40 40 CYS N N 15 117.6 0.3 . 1 . . . A 40 CYS N . 17821 1 283 . 1 1 41 41 ILE H H 1 8.23 0.02 . 1 . . . A 41 ILE H . 17821 1 284 . 1 1 41 41 ILE HA H 1 3.05 0.02 . 1 . . . A 41 ILE HA . 17821 1 285 . 1 1 41 41 ILE HB H 1 1.78 0.02 . 1 . . . A 41 ILE HB . 17821 1 286 . 1 1 41 41 ILE HG12 H 1 0.53 0.02 . 2 . . . A 41 ILE HG12 . 17821 1 287 . 1 1 41 41 ILE HG13 H 1 1.85 0.02 . 2 . . . A 41 ILE HG13 . 17821 1 288 . 1 1 41 41 ILE C C 13 176.1 0.3 . 1 . . . A 41 ILE C . 17821 1 289 . 1 1 41 41 ILE CA C 13 63.4 0.3 . 1 . . . A 41 ILE CA . 17821 1 290 . 1 1 41 41 ILE CB C 13 35.3 0.3 . 1 . . . A 41 ILE CB . 17821 1 291 . 1 1 41 41 ILE CG1 C 13 27.6 0.3 . 1 . . . A 41 ILE CG1 . 17821 1 292 . 1 1 41 41 ILE CG2 C 13 14.3 0.3 . 1 . . . A 41 ILE CG2 . 17821 1 293 . 1 1 41 41 ILE CD1 C 13 11.4 0.3 . 1 . . . A 41 ILE CD1 . 17821 1 294 . 1 1 41 41 ILE N N 15 121.5 0.3 . 1 . . . A 41 ILE N . 17821 1 295 . 1 1 42 42 ILE H H 1 7.77 0.02 . 1 . . . A 42 ILE H . 17821 1 296 . 1 1 42 42 ILE HA H 1 3.69 0.02 . 1 . . . A 42 ILE HA . 17821 1 297 . 1 1 42 42 ILE HB H 1 1.75 0.02 . 1 . . . A 42 ILE HB . 17821 1 298 . 1 1 42 42 ILE HG12 H 1 1.15 0.02 . 2 . . . A 42 ILE HG12 . 17821 1 299 . 1 1 42 42 ILE HG13 H 1 1.50 0.02 . 2 . . . A 42 ILE HG13 . 17821 1 300 . 1 1 42 42 ILE C C 13 174.2 0.3 . 1 . . . A 42 ILE C . 17821 1 301 . 1 1 42 42 ILE CA C 13 61.3 0.3 . 1 . . . A 42 ILE CA . 17821 1 302 . 1 1 42 42 ILE CB C 13 35.8 0.3 . 1 . . . A 42 ILE CB . 17821 1 303 . 1 1 42 42 ILE CG1 C 13 26.3 0.3 . 1 . . . A 42 ILE CG1 . 17821 1 304 . 1 1 42 42 ILE CG2 C 13 14.5 0.3 . 1 . . . A 42 ILE CG2 . 17821 1 305 . 1 1 42 42 ILE CD1 C 13 10.1 0.3 . 1 . . . A 42 ILE CD1 . 17821 1 306 . 1 1 42 42 ILE N N 15 119.2 0.3 . 1 . . . A 42 ILE N . 17821 1 307 . 1 1 43 43 GLU H H 1 7.60 0.02 . 1 . . . A 43 GLU H . 17821 1 308 . 1 1 43 43 GLU HA H 1 4.05 0.02 . 1 . . . A 43 GLU HA . 17821 1 309 . 1 1 43 43 GLU HG2 H 1 2.19 0.02 . 2 . . . A 43 GLU HG2 . 17821 1 310 . 1 1 43 43 GLU HG3 H 1 2.07 0.02 . 2 . . . A 43 GLU HG3 . 17821 1 311 . 1 1 43 43 GLU C C 13 175.3 0.3 . 1 . . . A 43 GLU C . 17821 1 312 . 1 1 43 43 GLU CA C 13 56.3 0.3 . 1 . . . A 43 GLU CA . 17821 1 313 . 1 1 43 43 GLU CB C 13 28.2 0.3 . 1 . . . A 43 GLU CB . 17821 1 314 . 1 1 43 43 GLU CG C 13 33.6 0.3 . 1 . . . A 43 GLU CG . 17821 1 315 . 1 1 43 43 GLU N N 15 118.7 0.3 . 1 . . . A 43 GLU N . 17821 1 316 . 1 1 44 44 LYS H H 1 8.86 0.02 . 1 . . . A 44 LYS H . 17821 1 317 . 1 1 44 44 LYS HA H 1 4.45 0.02 . 1 . . . A 44 LYS HA . 17821 1 318 . 1 1 44 44 LYS HB2 H 1 1.90 0.02 . 2 . . . A 44 LYS HB2 . 17821 1 319 . 1 1 44 44 LYS HB3 H 1 1.74 0.02 . 2 . . . A 44 LYS HB3 . 17821 1 320 . 1 1 44 44 LYS HG2 H 1 1.40 0.02 . 2 . . . A 44 LYS HG2 . 17821 1 321 . 1 1 44 44 LYS HG3 H 1 1.27 0.02 . 2 . . . A 44 LYS HG3 . 17821 1 322 . 1 1 44 44 LYS C C 13 174.5 0.3 . 1 . . . A 44 LYS C . 17821 1 323 . 1 1 44 44 LYS CA C 13 53.8 0.3 . 1 . . . A 44 LYS CA . 17821 1 324 . 1 1 44 44 LYS CB C 13 32.7 0.3 . 1 . . . A 44 LYS CB . 17821 1 325 . 1 1 44 44 LYS CG C 13 21.9 0.3 . 1 . . . A 44 LYS CG . 17821 1 326 . 1 1 44 44 LYS CD C 13 26.3 0.3 . 1 . . . A 44 LYS CD . 17821 1 327 . 1 1 44 44 LYS CE C 13 39.4 0.3 . 1 . . . A 44 LYS CE . 17821 1 328 . 1 1 44 44 LYS N N 15 114.6 0.3 . 1 . . . A 44 LYS N . 17821 1 329 . 1 1 45 45 GLY H H 1 7.69 0.02 . 1 . . . A 45 GLY H . 17821 1 330 . 1 1 45 45 GLY HA2 H 1 4.55 0.02 . 2 . . . A 45 GLY HA2 . 17821 1 331 . 1 1 45 45 GLY HA3 H 1 3.79 0.02 . 2 . . . A 45 GLY HA3 . 17821 1 332 . 1 1 45 45 GLY C C 13 171.0 0.3 . 1 . . . A 45 GLY C . 17821 1 333 . 1 1 45 45 GLY CA C 13 41.3 0.3 . 1 . . . A 45 GLY CA . 17821 1 334 . 1 1 45 45 GLY N N 15 108.7 0.3 . 1 . . . A 45 GLY N . 17821 1 335 . 1 1 46 46 GLU H H 1 8.90 0.02 . 1 . . . A 46 GLU H . 17821 1 336 . 1 1 46 46 GLU HA H 1 3.44 0.02 . 1 . . . A 46 GLU HA . 17821 1 337 . 1 1 46 46 GLU HB2 H 1 1.91 0.02 . 2 . . . A 46 GLU HB2 . 17821 1 338 . 1 1 46 46 GLU HB3 H 1 1.83 0.02 . 2 . . . A 46 GLU HB3 . 17821 1 339 . 1 1 46 46 GLU C C 13 175.8 0.3 . 1 . . . A 46 GLU C . 17821 1 340 . 1 1 46 46 GLU CA C 13 58.3 0.3 . 1 . . . A 46 GLU CA . 17821 1 341 . 1 1 46 46 GLU CB C 13 27.1 0.3 . 1 . . . A 46 GLU CB . 17821 1 342 . 1 1 46 46 GLU CG C 13 33.7 0.3 . 1 . . . A 46 GLU CG . 17821 1 343 . 1 1 46 46 GLU N N 15 120.8 0.3 . 1 . . . A 46 GLU N . 17821 1 344 . 1 1 47 47 GLU H H 1 9.53 0.02 . 1 . . . A 47 GLU H . 17821 1 345 . 1 1 47 47 GLU HA H 1 3.94 0.02 . 1 . . . A 47 GLU HA . 17821 1 346 . 1 1 47 47 GLU HB2 H 1 1.68 0.02 . 2 . . . A 47 GLU HB2 . 17821 1 347 . 1 1 47 47 GLU HB3 H 1 1.72 0.02 . 2 . . . A 47 GLU HB3 . 17821 1 348 . 1 1 47 47 GLU HG2 H 1 1.85 0.02 . 2 . . . A 47 GLU HG2 . 17821 1 349 . 1 1 47 47 GLU HG3 H 1 1.71 0.02 . 2 . . . A 47 GLU HG3 . 17821 1 350 . 1 1 47 47 GLU C C 13 174.3 0.3 . 1 . . . A 47 GLU C . 17821 1 351 . 1 1 47 47 GLU CA C 13 55.9 0.3 . 1 . . . A 47 GLU CA . 17821 1 352 . 1 1 47 47 GLU CB C 13 25.5 0.3 . 1 . . . A 47 GLU CB . 17821 1 353 . 1 1 47 47 GLU CG C 13 32.7 0.3 . 1 . . . A 47 GLU CG . 17821 1 354 . 1 1 47 47 GLU N N 15 118.7 0.3 . 1 . . . A 47 GLU N . 17821 1 355 . 1 1 48 48 HIS H H 1 7.50 0.02 . 1 . . . A 48 HIS H . 17821 1 356 . 1 1 48 48 HIS HA H 1 4.87 0.02 . 1 . . . A 48 HIS HA . 17821 1 357 . 1 1 48 48 HIS HB2 H 1 3.35 0.02 . 2 . . . A 48 HIS HB2 . 17821 1 358 . 1 1 48 48 HIS HB3 H 1 2.73 0.02 . 2 . . . A 48 HIS HB3 . 17821 1 359 . 1 1 48 48 HIS C C 13 173.3 0.3 . 1 . . . A 48 HIS C . 17821 1 360 . 1 1 48 48 HIS CA C 13 53.1 0.3 . 1 . . . A 48 HIS CA . 17821 1 361 . 1 1 48 48 HIS CB C 13 28.9 0.3 . 1 . . . A 48 HIS CB . 17821 1 362 . 1 1 48 48 HIS N N 15 117.5 0.3 . 1 . . . A 48 HIS N . 17821 1 363 . 1 1 49 49 CYS H H 1 7.46 0.02 . 1 . . . A 49 CYS H . 17821 1 364 . 1 1 49 49 CYS HA H 1 5.05 0.02 . 1 . . . A 49 CYS HA . 17821 1 365 . 1 1 49 49 CYS HB2 H 1 3.17 0.02 . 2 . . . A 49 CYS HB2 . 17821 1 366 . 1 1 49 49 CYS HB3 H 1 2.39 0.02 . 2 . . . A 49 CYS HB3 . 17821 1 367 . 1 1 49 49 CYS C C 13 173.7 0.3 . 1 . . . A 49 CYS C . 17821 1 368 . 1 1 49 49 CYS CA C 13 51.7 0.3 . 1 . . . A 49 CYS CA . 17821 1 369 . 1 1 49 49 CYS CB C 13 39.5 0.3 . 1 . . . A 49 CYS CB . 17821 1 370 . 1 1 49 49 CYS N N 15 116.1 0.3 . 1 . . . A 49 CYS N . 17821 1 371 . 1 1 50 50 GLY H H 1 9.15 0.02 . 1 . . . A 50 GLY H . 17821 1 372 . 1 1 50 50 GLY HA2 H 1 4.05 0.02 . 2 . . . A 50 GLY HA2 . 17821 1 373 . 1 1 50 50 GLY HA3 H 1 3.71 0.02 . 2 . . . A 50 GLY HA3 . 17821 1 374 . 1 1 50 50 GLY C C 13 172.5 0.3 . 1 . . . A 50 GLY C . 17821 1 375 . 1 1 50 50 GLY CA C 13 45.3 0.3 . 1 . . . A 50 GLY CA . 17821 1 376 . 1 1 50 50 GLY N N 15 112.9 0.3 . 1 . . . A 50 GLY N . 17821 1 377 . 1 1 51 51 HIS C C 13 175.4 0.3 . 1 . . . A 51 HIS C . 17821 1 378 . 1 1 51 51 HIS CA C 13 56.4 0.3 . 1 . . . A 51 HIS CA . 17821 1 379 . 1 1 51 51 HIS CB C 13 26.0 0.3 . 1 . . . A 51 HIS CB . 17821 1 380 . 1 1 52 52 LEU H H 1 6.81 0.02 . 1 . . . A 52 LEU H . 17821 1 381 . 1 1 52 52 LEU HA H 1 4.11 0.02 . 1 . . . A 52 LEU HA . 17821 1 382 . 1 1 52 52 LEU HG H 1 1.22 0.02 . 1 . . . A 52 LEU HG . 17821 1 383 . 1 1 52 52 LEU C C 13 177.7 0.3 . 1 . . . A 52 LEU C . 17821 1 384 . 1 1 52 52 LEU CA C 13 53.8 0.3 . 1 . . . A 52 LEU CA . 17821 1 385 . 1 1 52 52 LEU CB C 13 39.5 0.3 . 1 . . . A 52 LEU CB . 17821 1 386 . 1 1 52 52 LEU CG C 13 26.6 0.3 . 1 . . . A 52 LEU CG . 17821 1 387 . 1 1 52 52 LEU CD1 C 13 22.2 0.3 . 1 . . . A 52 LEU CD1 . 17821 1 388 . 1 1 52 52 LEU CD2 C 13 21.8 0.3 . 1 . . . A 52 LEU CD2 . 17821 1 389 . 1 1 52 52 LEU N N 15 122.0 0.3 . 1 . . . A 52 LEU N . 17821 1 390 . 1 1 53 53 ILE H H 1 8.17 0.02 . 1 . . . A 53 ILE H . 17821 1 391 . 1 1 53 53 ILE HA H 1 3.43 0.02 . 1 . . . A 53 ILE HA . 17821 1 392 . 1 1 53 53 ILE HB H 1 1.91 0.02 . 1 . . . A 53 ILE HB . 17821 1 393 . 1 1 53 53 ILE HG12 H 1 1.53 0.02 . 2 . . . A 53 ILE HG12 . 17821 1 394 . 1 1 53 53 ILE HG13 H 1 1.57 0.02 . 2 . . . A 53 ILE HG13 . 17821 1 395 . 1 1 53 53 ILE C C 13 176.1 0.3 . 1 . . . A 53 ILE C . 17821 1 396 . 1 1 53 53 ILE CA C 13 63.2 0.3 . 1 . . . A 53 ILE CA . 17821 1 397 . 1 1 53 53 ILE CB C 13 35.9 0.3 . 1 . . . A 53 ILE CB . 17821 1 398 . 1 1 53 53 ILE CG1 C 13 26.9 0.3 . 1 . . . A 53 ILE CG1 . 17821 1 399 . 1 1 53 53 ILE CG2 C 13 13.858 0.3 . 1 . . . A 53 ILE CG2 . 17821 1 400 . 1 1 53 53 ILE CD1 C 13 14.0 0.3 . 1 . . . A 53 ILE CD1 . 17821 1 401 . 1 1 53 53 ILE N N 15 124.2 0.3 . 1 . . . A 53 ILE N . 17821 1 402 . 1 1 54 54 GLU H H 1 8.38 0.02 . 1 . . . A 54 GLU H . 17821 1 403 . 1 1 54 54 GLU HA H 1 4.03 0.02 . 1 . . . A 54 GLU HA . 17821 1 404 . 1 1 54 54 GLU HG2 H 1 2.26 0.02 . 2 . . . A 54 GLU HG2 . 17821 1 405 . 1 1 54 54 GLU HG3 H 1 2.13 0.02 . 2 . . . A 54 GLU HG3 . 17821 1 406 . 1 1 54 54 GLU C C 13 175.4 0.3 . 1 . . . A 54 GLU C . 17821 1 407 . 1 1 54 54 GLU CA C 13 56.1 0.3 . 1 . . . A 54 GLU CA . 17821 1 408 . 1 1 54 54 GLU CB C 13 26.0 0.3 . 1 . . . A 54 GLU CB . 17821 1 409 . 1 1 54 54 GLU CG C 13 33.5 0.3 . 1 . . . A 54 GLU CG . 17821 1 410 . 1 1 54 54 GLU N N 15 120.6 0.3 . 1 . . . A 54 GLU N . 17821 1 411 . 1 1 55 55 ALA H H 1 7.88 0.02 . 1 . . . A 55 ALA H . 17821 1 412 . 1 1 55 55 ALA HA H 1 4.12 0.02 . 1 . . . A 55 ALA HA . 17821 1 413 . 1 1 55 55 ALA C C 13 177.9 0.3 . 1 . . . A 55 ALA C . 17821 1 414 . 1 1 55 55 ALA CA C 13 52.2 0.3 . 1 . . . A 55 ALA CA . 17821 1 415 . 1 1 55 55 ALA CB C 13 15.1 0.3 . 1 . . . A 55 ALA CB . 17821 1 416 . 1 1 55 55 ALA N N 15 120.8 0.3 . 1 . . . A 55 ALA N . 17821 1 417 . 1 1 56 56 HIS H H 1 7.64 0.02 . 1 . . . A 56 HIS H . 17821 1 418 . 1 1 56 56 HIS HA H 1 4.30 0.02 . 1 . . . A 56 HIS HA . 17821 1 419 . 1 1 56 56 HIS HB2 H 1 2.73 0.02 . 2 . . . A 56 HIS HB2 . 17821 1 420 . 1 1 56 56 HIS HB3 H 1 3.12 0.02 . 2 . . . A 56 HIS HB3 . 17821 1 421 . 1 1 56 56 HIS C C 13 173.5 0.3 . 1 . . . A 56 HIS C . 17821 1 422 . 1 1 56 56 HIS CA C 13 57.0 0.3 . 1 . . . A 56 HIS CA . 17821 1 423 . 1 1 56 56 HIS CB C 13 28.3 0.3 . 1 . . . A 56 HIS CB . 17821 1 424 . 1 1 56 56 HIS N N 15 117.4 0.3 . 1 . . . A 56 HIS N . 17821 1 425 . 1 1 57 57 LYS H H 1 7.62 0.02 . 1 . . . A 57 LYS H . 17821 1 426 . 1 1 57 57 LYS HA H 1 3.60 0.02 . 1 . . . A 57 LYS HA . 17821 1 427 . 1 1 57 57 LYS HB2 H 1 1.89 0.02 . 2 . . . A 57 LYS HB2 . 17821 1 428 . 1 1 57 57 LYS HB3 H 1 1.71 0.02 . 2 . . . A 57 LYS HB3 . 17821 1 429 . 1 1 57 57 LYS C C 13 176.2 0.3 . 1 . . . A 57 LYS C . 17821 1 430 . 1 1 57 57 LYS CA C 13 57.6 0.3 . 1 . . . A 57 LYS CA . 17821 1 431 . 1 1 57 57 LYS CB C 13 29.5 0.3 . 1 . . . A 57 LYS CB . 17821 1 432 . 1 1 57 57 LYS CG C 13 22.6 0.3 . 1 . . . A 57 LYS CG . 17821 1 433 . 1 1 57 57 LYS CD C 13 26.7 0.3 . 1 . . . A 57 LYS CD . 17821 1 434 . 1 1 57 57 LYS CE C 13 39.3 0.3 . 1 . . . A 57 LYS CE . 17821 1 435 . 1 1 57 57 LYS N N 15 119.2 0.3 . 1 . . . A 57 LYS N . 17821 1 436 . 1 1 58 58 GLU H H 1 8.49 0.02 . 1 . . . A 58 GLU H . 17821 1 437 . 1 1 58 58 GLU HA H 1 3.97 0.02 . 1 . . . A 58 GLU HA . 17821 1 438 . 1 1 58 58 GLU HG2 H 1 2.39 0.02 . 2 . . . A 58 GLU HG2 . 17821 1 439 . 1 1 58 58 GLU HG3 H 1 2.22 0.02 . 2 . . . A 58 GLU HG3 . 17821 1 440 . 1 1 58 58 GLU C C 13 176.2 0.3 . 1 . . . A 58 GLU C . 17821 1 441 . 1 1 58 58 GLU CA C 13 56.2 0.3 . 1 . . . A 58 GLU CA . 17821 1 442 . 1 1 58 58 GLU CB C 13 26.3 0.3 . 1 . . . A 58 GLU CB . 17821 1 443 . 1 1 58 58 GLU CG C 13 32.8 0.3 . 1 . . . A 58 GLU CG . 17821 1 444 . 1 1 58 58 GLU N N 15 118.4 0.3 . 1 . . . A 58 GLU N . 17821 1 445 . 1 1 59 59 SER H H 1 7.79 0.02 . 1 . . . A 59 SER H . 17821 1 446 . 1 1 59 59 SER HA H 1 4.15 0.02 . 1 . . . A 59 SER HA . 17821 1 447 . 1 1 59 59 SER CA C 13 58.4 0.3 . 1 . . . A 59 SER CA . 17821 1 448 . 1 1 59 59 SER CB C 13 60.3 0.3 . 1 . . . A 59 SER CB . 17821 1 449 . 1 1 59 59 SER N N 15 116.1 0.3 . 1 . . . A 59 SER N . 17821 1 450 . 1 1 60 60 MET H H 1 7.88 0.02 . 1 . . . A 60 MET H . 17821 1 451 . 1 1 60 60 MET HA H 1 4.17 0.02 . 1 . . . A 60 MET HA . 17821 1 452 . 1 1 60 60 MET C C 13 176.4 0.3 . 1 . . . A 60 MET C . 17821 1 453 . 1 1 60 60 MET CA C 13 54.4 0.3 . 1 . . . A 60 MET CA . 17821 1 454 . 1 1 60 60 MET CB C 13 29.1 0.3 . 1 . . . A 60 MET CB . 17821 1 455 . 1 1 60 60 MET CG C 13 36.3 0.3 . 1 . . . A 60 MET CG . 17821 1 456 . 1 1 60 60 MET N N 15 117.5 0.3 . 1 . . . A 60 MET N . 17821 1 457 . 1 1 61 61 ARG H H 1 8.29 0.02 . 1 . . . A 61 ARG H . 17821 1 458 . 1 1 61 61 ARG HA H 1 4.17 0.02 . 1 . . . A 61 ARG HA . 17821 1 459 . 1 1 61 61 ARG C C 13 177.5 0.3 . 1 . . . A 61 ARG C . 17821 1 460 . 1 1 61 61 ARG CA C 13 56.1 0.3 . 1 . . . A 61 ARG CA . 17821 1 461 . 1 1 61 61 ARG CB C 13 27.5 0.3 . 1 . . . A 61 ARG CB . 17821 1 462 . 1 1 61 61 ARG CG C 13 24.5 0.3 . 1 . . . A 61 ARG CG . 17821 1 463 . 1 1 61 61 ARG CD C 13 40.7 0.3 . 1 . . . A 61 ARG CD . 17821 1 464 . 1 1 61 61 ARG N N 15 121.3 0.3 . 1 . . . A 61 ARG N . 17821 1 465 . 1 1 62 62 ALA H H 1 7.95 0.02 . 1 . . . A 62 ALA H . 17821 1 466 . 1 1 62 62 ALA HA H 1 4.07 0.02 . 1 . . . A 62 ALA HA . 17821 1 467 . 1 1 62 62 ALA C C 13 176.4 0.3 . 1 . . . A 62 ALA C . 17821 1 468 . 1 1 62 62 ALA CA C 13 51.5 0.3 . 1 . . . A 62 ALA CA . 17821 1 469 . 1 1 62 62 ALA CB C 13 15.1 0.3 . 1 . . . A 62 ALA CB . 17821 1 470 . 1 1 62 62 ALA N N 15 123.2 0.3 . 1 . . . A 62 ALA N . 17821 1 471 . 1 1 63 63 LEU H H 1 7.45 0.02 . 1 . . . A 63 LEU H . 17821 1 472 . 1 1 63 63 LEU HA H 1 4.20 0.02 . 1 . . . A 63 LEU HA . 17821 1 473 . 1 1 63 63 LEU HB2 H 1 1.48 0.02 . 2 . . . A 63 LEU HB2 . 17821 1 474 . 1 1 63 63 LEU HB3 H 1 1.42 0.02 . 2 . . . A 63 LEU HB3 . 17821 1 475 . 1 1 63 63 LEU HG H 1 1.47 0.02 . 1 . . . A 63 LEU HG . 17821 1 476 . 1 1 63 63 LEU C C 13 174.4 0.3 . 1 . . . A 63 LEU C . 17821 1 477 . 1 1 63 63 LEU CA C 13 52.9 0.3 . 1 . . . A 63 LEU CA . 17821 1 478 . 1 1 63 63 LEU CB C 13 39.8 0.3 . 1 . . . A 63 LEU CB . 17821 1 479 . 1 1 63 63 LEU CG C 13 24.1 0.3 . 1 . . . A 63 LEU CG . 17821 1 480 . 1 1 63 63 LEU CD1 C 13 22.0 0.3 . 1 . . . A 63 LEU CD1 . 17821 1 481 . 1 1 63 63 LEU CD2 C 13 20.7 0.3 . 1 . . . A 63 LEU CD2 . 17821 1 482 . 1 1 63 63 LEU N N 15 117.5 0.3 . 1 . . . A 63 LEU N . 17821 1 483 . 1 1 64 64 GLY H H 1 7.78 0.02 . 1 . . . A 64 GLY H . 17821 1 484 . 1 1 64 64 GLY HA2 H 1 3.92 0.02 . 2 . . . A 64 GLY HA2 . 17821 1 485 . 1 1 64 64 GLY HA3 H 1 3.56 0.02 . 2 . . . A 64 GLY HA3 . 17821 1 486 . 1 1 64 64 GLY C C 13 171.4 0.3 . 1 . . . A 64 GLY C . 17821 1 487 . 1 1 64 64 GLY CA C 13 42.1 0.3 . 1 . . . A 64 GLY CA . 17821 1 488 . 1 1 64 64 GLY N N 15 106.3 0.3 . 1 . . . A 64 GLY N . 17821 1 489 . 1 1 65 65 PHE H H 1 7.84 0.02 . 1 . . . A 65 PHE H . 17821 1 490 . 1 1 65 65 PHE HA H 1 4.47 0.02 . 1 . . . A 65 PHE HA . 17821 1 491 . 1 1 65 65 PHE HB2 H 1 3.07 0.02 . 2 . . . A 65 PHE HB2 . 17821 1 492 . 1 1 65 65 PHE HB3 H 1 2.92 0.02 . 2 . . . A 65 PHE HB3 . 17821 1 493 . 1 1 65 65 PHE C C 13 172.3 0.3 . 1 . . . A 65 PHE C . 17821 1 494 . 1 1 65 65 PHE CA C 13 54.9 0.3 . 1 . . . A 65 PHE CA . 17821 1 495 . 1 1 65 65 PHE CB C 13 36.9 0.3 . 1 . . . A 65 PHE CB . 17821 1 496 . 1 1 65 65 PHE N N 15 119.8 0.3 . 1 . . . A 65 PHE N . 17821 1 497 . 1 1 66 66 LYS H H 1 8.37 0.02 . 1 . . . A 66 LYS H . 17821 1 498 . 1 1 66 66 LYS HA H 1 4.26 0.02 . 1 . . . A 66 LYS HA . 17821 1 499 . 1 1 66 66 LYS HB2 H 1 1.70 0.02 . 2 . . . A 66 LYS HB2 . 17821 1 500 . 1 1 66 66 LYS HB3 H 1 1.61 0.02 . 2 . . . A 66 LYS HB3 . 17821 1 501 . 1 1 66 66 LYS C C 13 172.2 0.3 . 1 . . . A 66 LYS C . 17821 1 502 . 1 1 66 66 LYS CA C 13 53.2 0.3 . 1 . . . A 66 LYS CA . 17821 1 503 . 1 1 66 66 LYS CB C 13 29.3 0.3 . 1 . . . A 66 LYS CB . 17821 1 504 . 1 1 66 66 LYS CG C 13 21.9 0.3 . 1 . . . A 66 LYS CG . 17821 1 505 . 1 1 66 66 LYS CD C 13 26.4 0.3 . 1 . . . A 66 LYS CD . 17821 1 506 . 1 1 66 66 LYS CE C 13 39.3 0.3 . 1 . . . A 66 LYS CE . 17821 1 507 . 1 1 66 66 LYS N N 15 124.0 0.3 . 1 . . . A 66 LYS N . 17821 1 508 . 1 1 67 67 ILE H H 1 7.57 0.02 . 1 . . . A 67 ILE H . 17821 1 509 . 1 1 67 67 ILE HA H 1 4.05 0.02 . 1 . . . A 67 ILE HA . 17821 1 510 . 1 1 67 67 ILE HB H 1 1.73 0.02 . 1 . . . A 67 ILE HB . 17821 1 511 . 1 1 67 67 ILE HG12 H 1 1.03 0.02 . 2 . . . A 67 ILE HG12 . 17821 1 512 . 1 1 67 67 ILE HG13 H 1 1.29 0.02 . 2 . . . A 67 ILE HG13 . 17821 1 513 . 1 1 67 67 ILE C C 13 177.6 0.3 . 1 . . . A 67 ILE C . 17821 1 514 . 1 1 67 67 ILE CA C 13 59.4 0.3 . 1 . . . A 67 ILE CA . 17821 1 515 . 1 1 67 67 ILE CB C 13 37.0 0.3 . 1 . . . A 67 ILE CB . 17821 1 516 . 1 1 67 67 ILE CG1 C 13 24.7 0.3 . 1 . . . A 67 ILE CG1 . 17821 1 517 . 1 1 67 67 ILE CG2 C 13 15.161 0.3 . 1 . . . A 67 ILE CG2 . 17821 1 518 . 1 1 67 67 ILE CD1 C 13 15.3 0.3 . 1 . . . A 67 ILE CD1 . 17821 1 519 . 1 1 67 67 ILE N N 15 127.5 0.3 . 1 . . . A 67 ILE N . 17821 1 stop_ save_