data_6022 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6022 _Entry.Title ; Second Metal Binding Domain of the Menkes ATPase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-27 _Entry.Accession_date 2003-12-01 _Entry.Last_release_date 2004-02-13 _Entry.Original_release_date 2004-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 C. Jones . E. . 6022 2 N. Daly . L. . 6022 3 P. Cobine . A. . 6022 4 D. Craik . J. . 6022 5 C. Dameron . T. . 6022 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6022 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 67 6022 '1H chemical shifts' 515 6022 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 . . 2004-02-13 2003-11-27 original author . 6022 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Q8L 'BMRB Entry Tracking System' 6022 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6022 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14572476 _Citation.Full_citation . _Citation.Title ; Structure and Metal Binding Studies of the Second Copper Binding Domain of the Menkes ATPase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 143 _Citation.Journal_issue 3 _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 209 _Citation.Page_last 218 _Citation.Year 2003 _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 C. Jones . E. . 6022 1 2 N. Daly . L. . 6022 1 3 P. Cobine . A. . 6022 1 4 D. Craik . J. . 6022 1 5 C. Dameron . T. . 6022 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'METAL BINDING PROTEIN' 6022 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MNKr2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MNKr2 _Assembly.Entry_ID 6022 _Assembly.ID 1 _Assembly.Name 'Copper-transporting ATPase 1' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6022 1 stop_ 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 'Menkes ATPase subdomian2' 1 $MNKr2 . . . native . . . . . 6022 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1Q8L . . . . . . 6022 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Copper-transporting ATPase 1' system 6022 1 MNKr2 abbreviation 6022 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Copper Transporter' 6022 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MNKr2 _Entity.Sf_category entity _Entity.Sf_framecode MNKr2 _Entity.Entry_ID 6022 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Menkes ATPase subdomain2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMAQAGEVVLKMKVEGMTC HSCTSTIEGKIGKLQGVQRI KVSLDNQEATIVYQPHLISV EEMKKQIEAMGFPAFVKKQP KYLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-28 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 6129 . ATPase . . . . . 85.71 76 100.00 100.00 3.00e-43 . . . . 6022 1 2 no BMRB 6130 . ATPase . . . . . 85.71 76 100.00 100.00 3.00e-43 . . . . 6022 1 3 no PDB 1Q8L . "Second Metal Binding Domain Of The Menkes Atpase" . . . . . 100.00 84 100.00 100.00 9.71e-53 . . . . 6022 1 4 no PDB 1S6O . "Solution Structure And Backbone Dynamics Of The Apo-Form Of The Second Metal-Binding Domain Of The Menkes Protein Atp7a" . . . . . 85.71 76 100.00 100.00 3.00e-43 . . . . 6022 1 5 no PDB 1S6U . "Solution Structure And Backbone Dynamics Of The Cu(I) Form Of The Second Metal-Binding Domain Of The Menkes Protein Atp7a" . . . . . 85.71 76 100.00 100.00 3.00e-43 . . . . 6022 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Menkes ATPase subdomain2' common 6022 1 MNKr2 abbreviation 6022 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 . 6022 1 2 . SER . 6022 1 3 . MET . 6022 1 4 . ALA . 6022 1 5 . GLN . 6022 1 6 . ALA . 6022 1 7 . GLY . 6022 1 8 . GLU . 6022 1 9 . VAL . 6022 1 10 . VAL . 6022 1 11 . LEU . 6022 1 12 . LYS . 6022 1 13 . MET . 6022 1 14 . LYS . 6022 1 15 . VAL . 6022 1 16 . GLU . 6022 1 17 . GLY . 6022 1 18 . MET . 6022 1 19 . THR . 6022 1 20 . CYS . 6022 1 21 . HIS . 6022 1 22 . SER . 6022 1 23 . CYS . 6022 1 24 . THR . 6022 1 25 . SER . 6022 1 26 . THR . 6022 1 27 . ILE . 6022 1 28 . GLU . 6022 1 29 . GLY . 6022 1 30 . LYS . 6022 1 31 . ILE . 6022 1 32 . GLY . 6022 1 33 . LYS . 6022 1 34 . LEU . 6022 1 35 . GLN . 6022 1 36 . GLY . 6022 1 37 . VAL . 6022 1 38 . GLN . 6022 1 39 . ARG . 6022 1 40 . ILE . 6022 1 41 . LYS . 6022 1 42 . VAL . 6022 1 43 . SER . 6022 1 44 . LEU . 6022 1 45 . ASP . 6022 1 46 . ASN . 6022 1 47 . GLN . 6022 1 48 . GLU . 6022 1 49 . ALA . 6022 1 50 . THR . 6022 1 51 . ILE . 6022 1 52 . VAL . 6022 1 53 . TYR . 6022 1 54 . GLN . 6022 1 55 . PRO . 6022 1 56 . HIS . 6022 1 57 . LEU . 6022 1 58 . ILE . 6022 1 59 . SER . 6022 1 60 . VAL . 6022 1 61 . GLU . 6022 1 62 . GLU . 6022 1 63 . MET . 6022 1 64 . LYS . 6022 1 65 . LYS . 6022 1 66 . GLN . 6022 1 67 . ILE . 6022 1 68 . GLU . 6022 1 69 . ALA . 6022 1 70 . MET . 6022 1 71 . GLY . 6022 1 72 . PHE . 6022 1 73 . PRO . 6022 1 74 . ALA . 6022 1 75 . PHE . 6022 1 76 . VAL . 6022 1 77 . LYS . 6022 1 78 . LYS . 6022 1 79 . GLN . 6022 1 80 . PRO . 6022 1 81 . LYS . 6022 1 82 . TYR . 6022 1 83 . LEU . 6022 1 84 . LYS . 6022 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 6022 1 . SER 2 2 6022 1 . MET 3 3 6022 1 . ALA 4 4 6022 1 . GLN 5 5 6022 1 . ALA 6 6 6022 1 . GLY 7 7 6022 1 . GLU 8 8 6022 1 . VAL 9 9 6022 1 . VAL 10 10 6022 1 . LEU 11 11 6022 1 . LYS 12 12 6022 1 . MET 13 13 6022 1 . LYS 14 14 6022 1 . VAL 15 15 6022 1 . GLU 16 16 6022 1 . GLY 17 17 6022 1 . MET 18 18 6022 1 . THR 19 19 6022 1 . CYS 20 20 6022 1 . HIS 21 21 6022 1 . SER 22 22 6022 1 . CYS 23 23 6022 1 . THR 24 24 6022 1 . SER 25 25 6022 1 . THR 26 26 6022 1 . ILE 27 27 6022 1 . GLU 28 28 6022 1 . GLY 29 29 6022 1 . LYS 30 30 6022 1 . ILE 31 31 6022 1 . GLY 32 32 6022 1 . LYS 33 33 6022 1 . LEU 34 34 6022 1 . GLN 35 35 6022 1 . GLY 36 36 6022 1 . VAL 37 37 6022 1 . GLN 38 38 6022 1 . ARG 39 39 6022 1 . ILE 40 40 6022 1 . LYS 41 41 6022 1 . VAL 42 42 6022 1 . SER 43 43 6022 1 . LEU 44 44 6022 1 . ASP 45 45 6022 1 . ASN 46 46 6022 1 . GLN 47 47 6022 1 . GLU 48 48 6022 1 . ALA 49 49 6022 1 . THR 50 50 6022 1 . ILE 51 51 6022 1 . VAL 52 52 6022 1 . TYR 53 53 6022 1 . GLN 54 54 6022 1 . PRO 55 55 6022 1 . HIS 56 56 6022 1 . LEU 57 57 6022 1 . ILE 58 58 6022 1 . SER 59 59 6022 1 . VAL 60 60 6022 1 . GLU 61 61 6022 1 . GLU 62 62 6022 1 . MET 63 63 6022 1 . LYS 64 64 6022 1 . LYS 65 65 6022 1 . GLN 66 66 6022 1 . ILE 67 67 6022 1 . GLU 68 68 6022 1 . ALA 69 69 6022 1 . MET 70 70 6022 1 . GLY 71 71 6022 1 . PHE 72 72 6022 1 . PRO 73 73 6022 1 . ALA 74 74 6022 1 . PHE 75 75 6022 1 . VAL 76 76 6022 1 . LYS 77 77 6022 1 . LYS 78 78 6022 1 . GLN 79 79 6022 1 . PRO 80 80 6022 1 . LYS 81 81 6022 1 . TYR 82 82 6022 1 . LEU 83 83 6022 1 . LYS 84 84 6022 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 6022 _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 $MNKr2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6022 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 6022 _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 $MNKr2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6022 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6022 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Menkes ATPase subdomain2' [U-15N] . . 1 $MNKr2 . . 0.5 . . mM . . . . 6022 1 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6022 1 3 'sodium chloride' . . . . . . . 10 . . mM . . . . 6022 1 4 H2O . . . . . . . 90 . . % . . . . 6022 1 5 D2O . . . . . . . 10 . . % . . . . 6022 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6022 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Menkes ATPase subdomain2' '[U-90% 15N]' . . 1 $MNKr2 . . 0.5 . . mM . . . . 6022 2 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6022 2 3 'sodium chloride' . . . . . . . 10 . . mM . . . . 6022 2 4 H2O . . . . . . . 90 . . % . . . . 6022 2 5 D2O . . . . . . . 10 . . % . . . . 6022 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6022 _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' 30 . mM 6022 1 pH 6.5 0.2 n/a 6022 1 pressure 1 . atm 6022 1 temperature 298 1 K 6022 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6022 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details 'Brugner A. T' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6022 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6022 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Guntert, P' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6022 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6022 _Software.ID 3 _Software.Name XEASY _Software.Version 3.2 _Software.Details 'Bartels, C' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6022 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6022 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6022 _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 NMR_spectrometer Bruker DMX . 750 . . . 6022 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 6022 _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 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6022 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6022 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6022 1 4 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6022 1 5 '3D 15N-seperated TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6022 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6022 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6022 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6022 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6022 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6022 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N-seperated TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6022 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6022 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6022 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6022 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6022 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 ALA H H 1 8.35 0.01 . 1 . . . . . . . . 6022 1 2 . 1 1 4 4 ALA HA H 1 4.31 0.01 . 1 . . . . . . . . 6022 1 3 . 1 1 4 4 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 6022 1 4 . 1 1 4 4 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 6022 1 5 . 1 1 4 4 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 6022 1 6 . 1 1 4 4 ALA N N 15 123.1 0.01 . 1 . . . . . . . . 6022 1 7 . 1 1 5 5 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 6022 1 8 . 1 1 5 5 GLN HA H 1 4.40 0.01 . 1 . . . . . . . . 6022 1 9 . 1 1 5 5 GLN HB2 H 1 2.18 0.01 . 1 . . . . . . . . 6022 1 10 . 1 1 5 5 GLN HB3 H 1 2.18 0.01 . 1 . . . . . . . . 6022 1 11 . 1 1 5 5 GLN N N 15 119.6 0.01 . 1 . . . . . . . . 6022 1 12 . 1 1 7 7 GLY H H 1 8.48 0.01 . 1 . . . . . . . . 6022 1 13 . 1 1 7 7 GLY HA2 H 1 4.03 0.01 . 1 . . . . . . . . 6022 1 14 . 1 1 7 7 GLY HA3 H 1 3.95 0.01 . 1 . . . . . . . . 6022 1 15 . 1 1 7 7 GLY N N 15 106.7 0.01 . 1 . . . . . . . . 6022 1 16 . 1 1 8 8 GLU H H 1 7.99 0.01 . 1 . . . . . . . . 6022 1 17 . 1 1 8 8 GLU HA H 1 4.65 0.01 . 1 . . . . . . . . 6022 1 18 . 1 1 8 8 GLU HB2 H 1 1.82 0.01 . 1 . . . . . . . . 6022 1 19 . 1 1 8 8 GLU HB3 H 1 1.90 0.01 . 1 . . . . . . . . 6022 1 20 . 1 1 8 8 GLU HG2 H 1 2.06 0.01 . 1 . . . . . . . . 6022 1 21 . 1 1 8 8 GLU HG3 H 1 2.06 0.01 . 1 . . . . . . . . 6022 1 22 . 1 1 8 8 GLU N N 15 116.4 0.01 . 1 . . . . . . . . 6022 1 23 . 1 1 9 9 VAL H H 1 8.66 0.01 . 1 . . . . . . . . 6022 1 24 . 1 1 9 9 VAL HA H 1 4.31 0.01 . 1 . . . . . . . . 6022 1 25 . 1 1 9 9 VAL HB H 1 1.44 0.01 . 1 . . . . . . . . 6022 1 26 . 1 1 9 9 VAL HG11 H 1 0.63 0.01 . 2 . . . . . . . . 6022 1 27 . 1 1 9 9 VAL HG12 H 1 0.63 0.01 . 2 . . . . . . . . 6022 1 28 . 1 1 9 9 VAL HG13 H 1 0.63 0.01 . 2 . . . . . . . . 6022 1 29 . 1 1 9 9 VAL HG21 H 1 0.86 0.01 . 2 . . . . . . . . 6022 1 30 . 1 1 9 9 VAL HG22 H 1 0.86 0.01 . 2 . . . . . . . . 6022 1 31 . 1 1 9 9 VAL HG23 H 1 0.86 0.01 . 2 . . . . . . . . 6022 1 32 . 1 1 9 9 VAL N N 15 120.5 0.01 . 1 . . . . . . . . 6022 1 33 . 1 1 10 10 VAL H H 1 8.30 0.01 . 1 . . . . . . . . 6022 1 34 . 1 1 10 10 VAL HA H 1 5.01 0.01 . 1 . . . . . . . . 6022 1 35 . 1 1 10 10 VAL HB H 1 2.00 0.01 . 1 . . . . . . . . 6022 1 36 . 1 1 10 10 VAL HG11 H 1 1.00 0.01 . 2 . . . . . . . . 6022 1 37 . 1 1 10 10 VAL HG12 H 1 1.00 0.01 . 2 . . . . . . . . 6022 1 38 . 1 1 10 10 VAL HG13 H 1 1.00 0.01 . 2 . . . . . . . . 6022 1 39 . 1 1 10 10 VAL HG21 H 1 0.88 0.01 . 2 . . . . . . . . 6022 1 40 . 1 1 10 10 VAL HG22 H 1 0.88 0.01 . 2 . . . . . . . . 6022 1 41 . 1 1 10 10 VAL HG23 H 1 0.88 0.01 . 2 . . . . . . . . 6022 1 42 . 1 1 10 10 VAL N N 15 121.1 0.01 . 1 . . . . . . . . 6022 1 43 . 1 1 11 11 LEU H H 1 9.83 0.01 . 1 . . . . . . . . 6022 1 44 . 1 1 11 11 LEU HA H 1 4.86 0.01 . 1 . . . . . . . . 6022 1 45 . 1 1 11 11 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 6022 1 46 . 1 1 11 11 LEU HB3 H 1 1.79 0.01 . 1 . . . . . . . . 6022 1 47 . 1 1 11 11 LEU HG H 1 1.91 0.01 . 1 . . . . . . . . 6022 1 48 . 1 1 11 11 LEU HD11 H 1 0.89 0.01 . 1 . . . . . . . . 6022 1 49 . 1 1 11 11 LEU HD12 H 1 0.89 0.01 . 1 . . . . . . . . 6022 1 50 . 1 1 11 11 LEU HD13 H 1 0.89 0.01 . 1 . . . . . . . . 6022 1 51 . 1 1 11 11 LEU HD21 H 1 0.99 0.01 . 1 . . . . . . . . 6022 1 52 . 1 1 11 11 LEU HD22 H 1 0.99 0.01 . 1 . . . . . . . . 6022 1 53 . 1 1 11 11 LEU HD23 H 1 0.99 0.01 . 1 . . . . . . . . 6022 1 54 . 1 1 11 11 LEU N N 15 130.0 0.01 . 1 . . . . . . . . 6022 1 55 . 1 1 12 12 LYS H H 1 8.80 0.01 . 1 . . . . . . . . 6022 1 56 . 1 1 12 12 LYS HA H 1 5.56 0.01 . 1 . . . . . . . . 6022 1 57 . 1 1 12 12 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 6022 1 58 . 1 1 12 12 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 6022 1 59 . 1 1 12 12 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 6022 1 60 . 1 1 12 12 LYS HG3 H 1 1.50 0.01 . 1 . . . . . . . . 6022 1 61 . 1 1 12 12 LYS HD2 H 1 1.61 0.01 . 1 . . . . . . . . 6022 1 62 . 1 1 12 12 LYS HD3 H 1 1.61 0.01 . 1 . . . . . . . . 6022 1 63 . 1 1 12 12 LYS HE2 H 1 2.10 0.01 . 1 . . . . . . . . 6022 1 64 . 1 1 12 12 LYS HE3 H 1 2.10 0.01 . 1 . . . . . . . . 6022 1 65 . 1 1 12 12 LYS N N 15 122.0 0.01 . 1 . . . . . . . . 6022 1 66 . 1 1 13 13 MET H H 1 9.04 0.01 . 1 . . . . . . . . 6022 1 67 . 1 1 13 13 MET HA H 1 5.19 0.01 . 1 . . . . . . . . 6022 1 68 . 1 1 13 13 MET HB2 H 1 1.59 0.01 . 1 . . . . . . . . 6022 1 69 . 1 1 13 13 MET HB3 H 1 1.99 0.01 . 1 . . . . . . . . 6022 1 70 . 1 1 13 13 MET HG2 H 1 2.40 0.01 . 1 . . . . . . . . 6022 1 71 . 1 1 13 13 MET HG3 H 1 2.40 0.01 . 1 . . . . . . . . 6022 1 72 . 1 1 13 13 MET HE1 H 1 1.46 0.01 . 1 . . . . . . . . 6022 1 73 . 1 1 13 13 MET HE2 H 1 1.46 0.01 . 1 . . . . . . . . 6022 1 74 . 1 1 13 13 MET HE3 H 1 1.46 0.01 . 1 . . . . . . . . 6022 1 75 . 1 1 13 13 MET N N 15 117.9 0.01 . 1 . . . . . . . . 6022 1 76 . 1 1 14 14 LYS H H 1 9.36 0.01 . 1 . . . . . . . . 6022 1 77 . 1 1 14 14 LYS HA H 1 4.98 0.01 . 1 . . . . . . . . 6022 1 78 . 1 1 14 14 LYS HB2 H 1 1.72 0.01 . 1 . . . . . . . . 6022 1 79 . 1 1 14 14 LYS HB3 H 1 1.89 0.01 . 1 . . . . . . . . 6022 1 80 . 1 1 14 14 LYS HG2 H 1 1.46 0.01 . 1 . . . . . . . . 6022 1 81 . 1 1 14 14 LYS HG3 H 1 1.46 0.01 . 1 . . . . . . . . 6022 1 82 . 1 1 14 14 LYS HD2 H 1 1.86 0.01 . 1 . . . . . . . . 6022 1 83 . 1 1 14 14 LYS HD3 H 1 1.86 0.01 . 1 . . . . . . . . 6022 1 84 . 1 1 14 14 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 6022 1 85 . 1 1 14 14 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 6022 1 86 . 1 1 14 14 LYS N N 15 124.7 0.01 . 1 . . . . . . . . 6022 1 87 . 1 1 15 15 VAL H H 1 8.04 0.01 . 1 . . . . . . . . 6022 1 88 . 1 1 15 15 VAL HA H 1 4.87 0.01 . 1 . . . . . . . . 6022 1 89 . 1 1 15 15 VAL HB H 1 1.61 0.01 . 1 . . . . . . . . 6022 1 90 . 1 1 15 15 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . 6022 1 91 . 1 1 15 15 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . 6022 1 92 . 1 1 15 15 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . 6022 1 93 . 1 1 15 15 VAL HG21 H 1 0.77 0.01 . 2 . . . . . . . . 6022 1 94 . 1 1 15 15 VAL HG22 H 1 0.77 0.01 . 2 . . . . . . . . 6022 1 95 . 1 1 15 15 VAL HG23 H 1 0.77 0.01 . 2 . . . . . . . . 6022 1 96 . 1 1 15 15 VAL N N 15 124.4 0.01 . 1 . . . . . . . . 6022 1 97 . 1 1 16 16 GLU H H 1 9.16 0.01 . 1 . . . . . . . . 6022 1 98 . 1 1 16 16 GLU HA H 1 4.68 0.01 . 1 . . . . . . . . 6022 1 99 . 1 1 16 16 GLU HB2 H 1 2.03 0.01 . 1 . . . . . . . . 6022 1 100 . 1 1 16 16 GLU HB3 H 1 2.03 0.01 . 1 . . . . . . . . 6022 1 101 . 1 1 16 16 GLU HG2 H 1 2.26 0.01 . 1 . . . . . . . . 6022 1 102 . 1 1 16 16 GLU HG3 H 1 2.40 0.01 . 1 . . . . . . . . 6022 1 103 . 1 1 16 16 GLU N N 15 124.5 0.01 . 1 . . . . . . . . 6022 1 104 . 1 1 17 17 GLY H H 1 8.34 0.01 . 1 . . . . . . . . 6022 1 105 . 1 1 17 17 GLY HA2 H 1 4.52 0.01 . 1 . . . . . . . . 6022 1 106 . 1 1 17 17 GLY HA3 H 1 3.81 0.01 . 1 . . . . . . . . 6022 1 107 . 1 1 17 17 GLY N N 15 100.8 0.01 . 1 . . . . . . . . 6022 1 108 . 1 1 18 18 MET H H 1 9.00 0.01 . 1 . . . . . . . . 6022 1 109 . 1 1 18 18 MET HA H 1 4.81 0.01 . 1 . . . . . . . . 6022 1 110 . 1 1 18 18 MET HB2 H 1 2.14 0.01 . 1 . . . . . . . . 6022 1 111 . 1 1 18 18 MET HB3 H 1 2.14 0.01 . 1 . . . . . . . . 6022 1 112 . 1 1 18 18 MET HG2 H 1 2.51 0.01 . 1 . . . . . . . . 6022 1 113 . 1 1 18 18 MET HG3 H 1 2.51 0.01 . 1 . . . . . . . . 6022 1 114 . 1 1 18 18 MET HE1 H 1 1.44 0.01 . 1 . . . . . . . . 6022 1 115 . 1 1 18 18 MET HE2 H 1 1.44 0.01 . 1 . . . . . . . . 6022 1 116 . 1 1 18 18 MET HE3 H 1 1.44 0.01 . 1 . . . . . . . . 6022 1 117 . 1 1 18 18 MET N N 15 122.6 0.01 . 1 . . . . . . . . 6022 1 118 . 1 1 19 19 THR HG21 H 1 1.50 0.01 . 5 . . . . . . . . 6022 1 119 . 1 1 19 19 THR HG22 H 1 1.50 0.01 . 5 . . . . . . . . 6022 1 120 . 1 1 19 19 THR HG23 H 1 1.50 0.01 . 5 . . . . . . . . 6022 1 121 . 1 1 20 20 CYS H H 1 8.31 0.01 . 1 . . . . . . . . 6022 1 122 . 1 1 20 20 CYS HA H 1 4.30 0.01 . 1 . . . . . . . . 6022 1 123 . 1 1 20 20 CYS N N 15 111.5 0.01 . 2 . . . . . . . . 6022 1 124 . 1 1 21 21 HIS H H 1 7.80 0.01 . 1 . . . . . . . . 6022 1 125 . 1 1 21 21 HIS HA H 1 4.46 0.01 . 1 . . . . . . . . 6022 1 126 . 1 1 21 21 HIS N N 15 122.8 0.01 . 1 . . . . . . . . 6022 1 127 . 1 1 22 22 SER H H 1 8.26 0.01 . 1 . . . . . . . . 6022 1 128 . 1 1 22 22 SER HA H 1 4.85 0.01 . 1 . . . . . . . . 6022 1 129 . 1 1 22 22 SER HB2 H 1 4.00 0.01 . 1 . . . . . . . . 6022 1 130 . 1 1 22 22 SER HB3 H 1 4.00 0.01 . 1 . . . . . . . . 6022 1 131 . 1 1 22 22 SER N N 15 113.9 0.01 . 1 . . . . . . . . 6022 1 132 . 1 1 23 23 CYS H H 1 8.00 0.01 . 1 . . . . . . . . 6022 1 133 . 1 1 23 23 CYS HA H 1 4.18 0.01 . 1 . . . . . . . . 6022 1 134 . 1 1 23 23 CYS HB2 H 1 2.86 0.01 . 1 . . . . . . . . 6022 1 135 . 1 1 23 23 CYS HB3 H 1 3.22 0.01 . 1 . . . . . . . . 6022 1 136 . 1 1 23 23 CYS N N 15 124.5 0.01 . 1 . . . . . . . . 6022 1 137 . 1 1 24 24 THR H H 1 7.44 0.01 . 1 . . . . . . . . 6022 1 138 . 1 1 24 24 THR HA H 1 4.39 0.01 . 1 . . . . . . . . 6022 1 139 . 1 1 24 24 THR HB H 1 3.69 0.01 . 1 . . . . . . . . 6022 1 140 . 1 1 24 24 THR HG21 H 1 1.31 0.01 . 1 . . . . . . . . 6022 1 141 . 1 1 24 24 THR HG22 H 1 1.31 0.01 . 1 . . . . . . . . 6022 1 142 . 1 1 24 24 THR HG23 H 1 1.31 0.01 . 1 . . . . . . . . 6022 1 143 . 1 1 24 24 THR N N 15 106.2 0.01 . 1 . . . . . . . . 6022 1 144 . 1 1 25 25 SER H H 1 7.65 0.01 . 1 . . . . . . . . 6022 1 145 . 1 1 25 25 SER HA H 1 4.34 0.01 . 1 . . . . . . . . 6022 1 146 . 1 1 25 25 SER HB2 H 1 4.02 0.01 . 1 . . . . . . . . 6022 1 147 . 1 1 25 25 SER HB3 H 1 4.02 0.01 . 1 . . . . . . . . 6022 1 148 . 1 1 26 26 THR H H 1 8.25 0.01 . 1 . . . . . . . . 6022 1 149 . 1 1 26 26 THR HA H 1 4.46 0.01 . 1 . . . . . . . . 6022 1 150 . 1 1 26 26 THR HB H 1 4.01 0.01 . 1 . . . . . . . . 6022 1 151 . 1 1 26 26 THR HG21 H 1 1.45 0.01 . 1 . . . . . . . . 6022 1 152 . 1 1 26 26 THR HG22 H 1 1.45 0.01 . 1 . . . . . . . . 6022 1 153 . 1 1 26 26 THR HG23 H 1 1.45 0.01 . 1 . . . . . . . . 6022 1 154 . 1 1 26 26 THR N N 15 119.7 0.01 . 1 . . . . . . . . 6022 1 155 . 1 1 27 27 ILE H H 1 7.80 0.01 . 1 . . . . . . . . 6022 1 156 . 1 1 27 27 ILE HA H 1 3.62 0.01 . 1 . . . . . . . . 6022 1 157 . 1 1 27 27 ILE HB H 1 1.64 0.01 . 1 . . . . . . . . 6022 1 158 . 1 1 27 27 ILE HG12 H 1 1.76 0.01 . 1 . . . . . . . . 6022 1 159 . 1 1 27 27 ILE HG13 H 1 0.80 0.01 . 1 . . . . . . . . 6022 1 160 . 1 1 27 27 ILE HG21 H 1 0.71 0.01 . 1 . . . . . . . . 6022 1 161 . 1 1 27 27 ILE HG22 H 1 0.71 0.01 . 1 . . . . . . . . 6022 1 162 . 1 1 27 27 ILE HG23 H 1 0.71 0.01 . 1 . . . . . . . . 6022 1 163 . 1 1 27 27 ILE HD11 H 1 0.09 0.01 . 1 . . . . . . . . 6022 1 164 . 1 1 27 27 ILE HD12 H 1 0.09 0.01 . 1 . . . . . . . . 6022 1 165 . 1 1 27 27 ILE HD13 H 1 0.09 0.01 . 1 . . . . . . . . 6022 1 166 . 1 1 27 27 ILE N N 15 119.7 0.01 . 1 . . . . . . . . 6022 1 167 . 1 1 28 28 GLU H H 1 8.45 0.01 . 1 . . . . . . . . 6022 1 168 . 1 1 28 28 GLU HA H 1 3.74 0.01 . 1 . . . . . . . . 6022 1 169 . 1 1 28 28 GLU HB2 H 1 2.02 0.01 . 1 . . . . . . . . 6022 1 170 . 1 1 28 28 GLU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 6022 1 171 . 1 1 28 28 GLU HG2 H 1 2.18 0.01 . 1 . . . . . . . . 6022 1 172 . 1 1 28 28 GLU HG3 H 1 2.64 0.01 . 1 . . . . . . . . 6022 1 173 . 1 1 28 28 GLU N N 15 115.3 0.01 . 1 . . . . . . . . 6022 1 174 . 1 1 29 29 GLY H H 1 8.46 0.01 . 1 . . . . . . . . 6022 1 175 . 1 1 29 29 GLY HA2 H 1 3.86 0.01 . 1 . . . . . . . . 6022 1 176 . 1 1 29 29 GLY HA3 H 1 3.95 0.01 . 1 . . . . . . . . 6022 1 177 . 1 1 29 29 GLY N N 15 103.9 0.01 . 1 . . . . . . . . 6022 1 178 . 1 1 30 30 LYS H H 1 7.55 0.01 . 1 . . . . . . . . 6022 1 179 . 1 1 30 30 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 6022 1 180 . 1 1 30 30 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 6022 1 181 . 1 1 30 30 LYS HB3 H 1 2.00 0.01 . 1 . . . . . . . . 6022 1 182 . 1 1 30 30 LYS HG2 H 1 1.54 0.01 . 1 . . . . . . . . 6022 1 183 . 1 1 30 30 LYS HG3 H 1 1.54 0.01 . 1 . . . . . . . . 6022 1 184 . 1 1 30 30 LYS N N 15 117.0 0.01 . 1 . . . . . . . . 6022 1 185 . 1 1 31 31 ILE H H 1 8.49 0.01 . 1 . . . . . . . . 6022 1 186 . 1 1 31 31 ILE HA H 1 3.88 0.01 . 1 . . . . . . . . 6022 1 187 . 1 1 31 31 ILE HB H 1 2.14 0.01 . 1 . . . . . . . . 6022 1 188 . 1 1 31 31 ILE HG12 H 1 1.51 0.01 . 1 . . . . . . . . 6022 1 189 . 1 1 31 31 ILE HG13 H 1 1.92 0.01 . 1 . . . . . . . . 6022 1 190 . 1 1 31 31 ILE HG21 H 1 0.83 0.01 . 1 . . . . . . . . 6022 1 191 . 1 1 31 31 ILE HG22 H 1 0.83 0.01 . 1 . . . . . . . . 6022 1 192 . 1 1 31 31 ILE HG23 H 1 0.83 0.01 . 1 . . . . . . . . 6022 1 193 . 1 1 31 31 ILE HD11 H 1 1.12 0.01 . 1 . . . . . . . . 6022 1 194 . 1 1 31 31 ILE HD12 H 1 1.12 0.01 . 1 . . . . . . . . 6022 1 195 . 1 1 31 31 ILE HD13 H 1 1.12 0.01 . 1 . . . . . . . . 6022 1 196 . 1 1 31 31 ILE N N 15 115.3 0.01 . 1 . . . . . . . . 6022 1 197 . 1 1 32 32 GLY H H 1 7.90 0.01 . 1 . . . . . . . . 6022 1 198 . 1 1 32 32 GLY HA2 H 1 3.84 0.01 . 1 . . . . . . . . 6022 1 199 . 1 1 32 32 GLY HA3 H 1 3.92 0.01 . 1 . . . . . . . . 6022 1 200 . 1 1 32 32 GLY N N 15 100.9 0.01 . 1 . . . . . . . . 6022 1 201 . 1 1 33 33 LYS H H 1 6.74 0.01 . 1 . . . . . . . . 6022 1 202 . 1 1 33 33 LYS HA H 1 4.49 0.01 . 1 . . . . . . . . 6022 1 203 . 1 1 33 33 LYS HB2 H 1 1.82 0.01 . 1 . . . . . . . . 6022 1 204 . 1 1 33 33 LYS HB3 H 1 2.10 0.01 . 1 . . . . . . . . 6022 1 205 . 1 1 33 33 LYS HG2 H 1 1.56 0.01 . 1 . . . . . . . . 6022 1 206 . 1 1 33 33 LYS HG3 H 1 1.56 0.01 . 1 . . . . . . . . 6022 1 207 . 1 1 33 33 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 6022 1 208 . 1 1 33 33 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 6022 1 209 . 1 1 33 33 LYS N N 15 113.0 0.01 . 1 . . . . . . . . 6022 1 210 . 1 1 34 34 LEU H H 1 7.54 0.01 . 1 . . . . . . . . 6022 1 211 . 1 1 34 34 LEU HA H 1 4.29 0.01 . 1 . . . . . . . . 6022 1 212 . 1 1 34 34 LEU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 6022 1 213 . 1 1 34 34 LEU HB3 H 1 1.35 0.01 . 1 . . . . . . . . 6022 1 214 . 1 1 34 34 LEU HG H 1 2.07 0.01 . 1 . . . . . . . . 6022 1 215 . 1 1 34 34 LEU HD11 H 1 0.90 0.01 . 1 . . . . . . . . 6022 1 216 . 1 1 34 34 LEU HD12 H 1 0.90 0.01 . 1 . . . . . . . . 6022 1 217 . 1 1 34 34 LEU HD13 H 1 0.90 0.01 . 1 . . . . . . . . 6022 1 218 . 1 1 34 34 LEU HD21 H 1 0.90 0.01 . 1 . . . . . . . . 6022 1 219 . 1 1 34 34 LEU HD22 H 1 0.90 0.01 . 1 . . . . . . . . 6022 1 220 . 1 1 34 34 LEU HD23 H 1 0.90 0.01 . 1 . . . . . . . . 6022 1 221 . 1 1 34 34 LEU N N 15 119.1 0.01 . 1 . . . . . . . . 6022 1 222 . 1 1 35 35 GLN H H 1 8.74 0.01 . 1 . . . . . . . . 6022 1 223 . 1 1 35 35 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 6022 1 224 . 1 1 35 35 GLN HB2 H 1 2.12 0.01 . 1 . . . . . . . . 6022 1 225 . 1 1 35 35 GLN HB3 H 1 2.12 0.01 . 1 . . . . . . . . 6022 1 226 . 1 1 35 35 GLN HG2 H 1 2.37 0.01 . 1 . . . . . . . . 6022 1 227 . 1 1 35 35 GLN HG3 H 1 2.47 0.01 . 1 . . . . . . . . 6022 1 228 . 1 1 35 35 GLN N N 15 122.4 0.01 . 1 . . . . . . . . 6022 1 229 . 1 1 36 36 GLY H H 1 8.71 0.01 . 1 . . . . . . . . 6022 1 230 . 1 1 36 36 GLY HA2 H 1 4.41 0.01 . 1 . . . . . . . . 6022 1 231 . 1 1 36 36 GLY HA3 H 1 3.67 0.01 . 1 . . . . . . . . 6022 1 232 . 1 1 36 36 GLY N N 15 108.4 0.01 . 1 . . . . . . . . 6022 1 233 . 1 1 37 37 VAL H H 1 7.81 0.01 . 1 . . . . . . . . 6022 1 234 . 1 1 37 37 VAL HA H 1 4.05 0.01 . 1 . . . . . . . . 6022 1 235 . 1 1 37 37 VAL HB H 1 2.38 0.01 . 1 . . . . . . . . 6022 1 236 . 1 1 37 37 VAL HG11 H 1 0.79 0.01 . 2 . . . . . . . . 6022 1 237 . 1 1 37 37 VAL HG12 H 1 0.79 0.01 . 2 . . . . . . . . 6022 1 238 . 1 1 37 37 VAL HG13 H 1 0.79 0.01 . 2 . . . . . . . . 6022 1 239 . 1 1 37 37 VAL HG21 H 1 0.92 0.01 . 2 . . . . . . . . 6022 1 240 . 1 1 37 37 VAL HG22 H 1 0.92 0.01 . 2 . . . . . . . . 6022 1 241 . 1 1 37 37 VAL HG23 H 1 0.92 0.01 . 2 . . . . . . . . 6022 1 242 . 1 1 37 37 VAL N N 15 118.6 0.01 . 1 . . . . . . . . 6022 1 243 . 1 1 38 38 GLN H H 1 9.28 0.01 . 1 . . . . . . . . 6022 1 244 . 1 1 38 38 GLN HA H 1 4.46 0.01 . 1 . . . . . . . . 6022 1 245 . 1 1 38 38 GLN HB2 H 1 1.77 0.01 . 1 . . . . . . . . 6022 1 246 . 1 1 38 38 GLN HB3 H 1 2.14 0.01 . 1 . . . . . . . . 6022 1 247 . 1 1 38 38 GLN HG2 H 1 2.18 0.01 . 1 . . . . . . . . 6022 1 248 . 1 1 38 38 GLN HG3 H 1 2.44 0.01 . 1 . . . . . . . . 6022 1 249 . 1 1 38 38 GLN HE21 H 1 6.86 0.01 . 1 . . . . . . . . 6022 1 250 . 1 1 38 38 GLN HE22 H 1 7.41 0.01 . 1 . . . . . . . . 6022 1 251 . 1 1 38 38 GLN N N 15 125.8 0.01 . 1 . . . . . . . . 6022 1 252 . 1 1 39 39 ARG H H 1 7.87 0.01 . 1 . . . . . . . . 6022 1 253 . 1 1 39 39 ARG HA H 1 4.68 0.01 . 1 . . . . . . . . 6022 1 254 . 1 1 39 39 ARG HB2 H 1 1.80 0.01 . 1 . . . . . . . . 6022 1 255 . 1 1 39 39 ARG HB3 H 1 1.97 0.01 . 1 . . . . . . . . 6022 1 256 . 1 1 39 39 ARG HG2 H 1 1.56 0.01 . 1 . . . . . . . . 6022 1 257 . 1 1 39 39 ARG HG3 H 1 1.56 0.01 . 1 . . . . . . . . 6022 1 258 . 1 1 39 39 ARG HD2 H 1 2.98 0.01 . 1 . . . . . . . . 6022 1 259 . 1 1 39 39 ARG HD3 H 1 3.14 0.01 . 1 . . . . . . . . 6022 1 260 . 1 1 39 39 ARG HE H 1 7.20 0.01 . 1 . . . . . . . . 6022 1 261 . 1 1 39 39 ARG HH21 H 1 6.86 0.01 . 1 . . . . . . . . 6022 1 262 . 1 1 39 39 ARG HH22 H 1 6.86 0.01 . 1 . . . . . . . . 6022 1 263 . 1 1 39 39 ARG N N 15 113.2 0.01 . 1 . . . . . . . . 6022 1 264 . 1 1 40 40 ILE H H 1 8.69 0.01 . 1 . . . . . . . . 6022 1 265 . 1 1 40 40 ILE HA H 1 5.33 0.01 . 1 . . . . . . . . 6022 1 266 . 1 1 40 40 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 6022 1 267 . 1 1 40 40 ILE HG12 H 1 1.48 0.01 . 1 . . . . . . . . 6022 1 268 . 1 1 40 40 ILE HG13 H 1 1.76 0.01 . 1 . . . . . . . . 6022 1 269 . 1 1 40 40 ILE HG21 H 1 1.00 0.01 . 1 . . . . . . . . 6022 1 270 . 1 1 40 40 ILE HG22 H 1 1.00 0.01 . 1 . . . . . . . . 6022 1 271 . 1 1 40 40 ILE HG23 H 1 1.00 0.01 . 1 . . . . . . . . 6022 1 272 . 1 1 40 40 ILE HD11 H 1 0.99 0.01 . 1 . . . . . . . . 6022 1 273 . 1 1 40 40 ILE HD12 H 1 0.99 0.01 . 1 . . . . . . . . 6022 1 274 . 1 1 40 40 ILE HD13 H 1 0.99 0.01 . 1 . . . . . . . . 6022 1 275 . 1 1 40 40 ILE N N 15 117.4 0.01 . 1 . . . . . . . . 6022 1 276 . 1 1 41 41 LYS H H 1 8.45 0.01 . 1 . . . . . . . . 6022 1 277 . 1 1 41 41 LYS HA H 1 4.84 0.01 . 1 . . . . . . . . 6022 1 278 . 1 1 41 41 LYS HB2 H 1 1.81 0.01 . 1 . . . . . . . . 6022 1 279 . 1 1 41 41 LYS HB3 H 1 1.81 0.01 . 1 . . . . . . . . 6022 1 280 . 1 1 41 41 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 6022 1 281 . 1 1 41 41 LYS HG3 H 1 1.47 0.01 . 1 . . . . . . . . 6022 1 282 . 1 1 41 41 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 6022 1 283 . 1 1 41 41 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 6022 1 284 . 1 1 41 41 LYS N N 15 124.5 0.01 . 1 . . . . . . . . 6022 1 285 . 1 1 42 42 VAL H H 1 10.41 0.01 . 1 . . . . . . . . 6022 1 286 . 1 1 42 42 VAL HA H 1 4.69 0.01 . 1 . . . . . . . . 6022 1 287 . 1 1 42 42 VAL HB H 1 1.99 0.01 . 1 . . . . . . . . 6022 1 288 . 1 1 42 42 VAL HG11 H 1 0.72 0.01 . 2 . . . . . . . . 6022 1 289 . 1 1 42 42 VAL HG12 H 1 0.72 0.01 . 2 . . . . . . . . 6022 1 290 . 1 1 42 42 VAL HG13 H 1 0.72 0.01 . 2 . . . . . . . . 6022 1 291 . 1 1 42 42 VAL HG21 H 1 0.84 0.01 . 2 . . . . . . . . 6022 1 292 . 1 1 42 42 VAL HG22 H 1 0.84 0.01 . 2 . . . . . . . . 6022 1 293 . 1 1 42 42 VAL HG23 H 1 0.84 0.01 . 2 . . . . . . . . 6022 1 294 . 1 1 42 42 VAL N N 15 127.7 0.01 . 1 . . . . . . . . 6022 1 295 . 1 1 43 43 SER H H 1 8.89 0.01 . 1 . . . . . . . . 6022 1 296 . 1 1 43 43 SER HA H 1 4.89 0.01 . 1 . . . . . . . . 6022 1 297 . 1 1 43 43 SER HB2 H 1 3.95 0.01 . 1 . . . . . . . . 6022 1 298 . 1 1 43 43 SER HB3 H 1 3.98 0.01 . 1 . . . . . . . . 6022 1 299 . 1 1 43 43 SER N N 15 118.6 0.01 . 1 . . . . . . . . 6022 1 300 . 1 1 44 44 LEU H H 1 9.16 0.01 . 1 . . . . . . . . 6022 1 301 . 1 1 44 44 LEU HA H 1 4.00 0.01 . 1 . . . . . . . . 6022 1 302 . 1 1 44 44 LEU HB2 H 1 1.80 0.01 . 1 . . . . . . . . 6022 1 303 . 1 1 44 44 LEU HB3 H 1 1.80 0.01 . 1 . . . . . . . . 6022 1 304 . 1 1 44 44 LEU HG H 1 1.32 0.01 . 1 . . . . . . . . 6022 1 305 . 1 1 44 44 LEU HD11 H 1 0.66 0.01 . 4 . . . . . . . . 6022 1 306 . 1 1 44 44 LEU HD12 H 1 0.66 0.01 . 4 . . . . . . . . 6022 1 307 . 1 1 44 44 LEU HD13 H 1 0.66 0.01 . 4 . . . . . . . . 6022 1 308 . 1 1 44 44 LEU HD21 H 1 0.66 0.01 . 4 . . . . . . . . 6022 1 309 . 1 1 44 44 LEU HD22 H 1 0.66 0.01 . 4 . . . . . . . . 6022 1 310 . 1 1 44 44 LEU HD23 H 1 0.66 0.01 . 4 . . . . . . . . 6022 1 311 . 1 1 45 45 ASP HA H 1 4.31 0.01 . 1 . . . . . . . . 6022 1 312 . 1 1 45 45 ASP HB2 H 1 1.75 0.01 . 1 . . . . . . . . 6022 1 313 . 1 1 45 45 ASP HB3 H 1 1.75 0.01 . 1 . . . . . . . . 6022 1 314 . 1 1 46 46 ASN H H 1 8.48 0.01 . 1 . . . . . . . . 6022 1 315 . 1 1 46 46 ASN HA H 1 4.87 0.01 . 1 . . . . . . . . 6022 1 316 . 1 1 46 46 ASN HB2 H 1 2.46 0.01 . 1 . . . . . . . . 6022 1 317 . 1 1 46 46 ASN HB3 H 1 2.69 0.01 . 1 . . . . . . . . 6022 1 318 . 1 1 46 46 ASN N N 15 118.6 0.01 . 1 . . . . . . . . 6022 1 319 . 1 1 47 47 GLN H H 1 7.72 0.01 . 1 . . . . . . . . 6022 1 320 . 1 1 47 47 GLN HA H 1 3.67 0.01 . 1 . . . . . . . . 6022 1 321 . 1 1 47 47 GLN HB2 H 1 2.34 0.01 . 1 . . . . . . . . 6022 1 322 . 1 1 47 47 GLN HB3 H 1 1.85 0.01 . 1 . . . . . . . . 6022 1 323 . 1 1 47 47 GLN HG2 H 1 2.48 0.01 . 1 . . . . . . . . 6022 1 324 . 1 1 47 47 GLN HG3 H 1 2.48 0.01 . 1 . . . . . . . . 6022 1 325 . 1 1 47 47 GLN HE21 H 1 7.61 0.01 . 1 . . . . . . . . 6022 1 326 . 1 1 47 47 GLN HE22 H 1 6.92 0.01 . 1 . . . . . . . . 6022 1 327 . 1 1 47 47 GLN N N 15 115.5 0.01 . 1 . . . . . . . . 6022 1 328 . 1 1 48 48 GLU H H 1 7.75 0.01 . 1 . . . . . . . . 6022 1 329 . 1 1 48 48 GLU HA H 1 5.56 0.01 . 1 . . . . . . . . 6022 1 330 . 1 1 48 48 GLU HB2 H 1 1.80 0.01 . 1 . . . . . . . . 6022 1 331 . 1 1 48 48 GLU HB3 H 1 1.90 0.01 . 1 . . . . . . . . 6022 1 332 . 1 1 48 48 GLU HG2 H 1 2.16 0.01 . 1 . . . . . . . . 6022 1 333 . 1 1 48 48 GLU HG3 H 1 2.48 0.01 . 1 . . . . . . . . 6022 1 334 . 1 1 48 48 GLU N N 15 113.2 0.01 . 1 . . . . . . . . 6022 1 335 . 1 1 49 49 ALA H H 1 9.55 0.01 . 1 . . . . . . . . 6022 1 336 . 1 1 49 49 ALA HA H 1 5.30 0.01 . 1 . . . . . . . . 6022 1 337 . 1 1 49 49 ALA HB1 H 1 1.17 0.01 . 1 . . . . . . . . 6022 1 338 . 1 1 49 49 ALA HB2 H 1 1.17 0.01 . 1 . . . . . . . . 6022 1 339 . 1 1 49 49 ALA HB3 H 1 1.17 0.01 . 1 . . . . . . . . 6022 1 340 . 1 1 49 49 ALA N N 15 125.2 0.01 . 1 . . . . . . . . 6022 1 341 . 1 1 50 50 THR H H 1 9.08 0.01 . 1 . . . . . . . . 6022 1 342 . 1 1 50 50 THR HA H 1 4.98 0.01 . 1 . . . . . . . . 6022 1 343 . 1 1 50 50 THR HB H 1 4.05 0.01 . 1 . . . . . . . . 6022 1 344 . 1 1 50 50 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 6022 1 345 . 1 1 50 50 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 6022 1 346 . 1 1 50 50 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 6022 1 347 . 1 1 50 50 THR N N 15 118.1 0.01 . 1 . . . . . . . . 6022 1 348 . 1 1 51 51 ILE H H 1 9.68 0.01 . 1 . . . . . . . . 6022 1 349 . 1 1 51 51 ILE HA H 1 4.82 0.01 . 1 . . . . . . . . 6022 1 350 . 1 1 51 51 ILE HB H 1 1.71 0.01 . 1 . . . . . . . . 6022 1 351 . 1 1 51 51 ILE HG12 H 1 1.45 0.01 . 1 . . . . . . . . 6022 1 352 . 1 1 51 51 ILE HG13 H 1 1.45 0.01 . 1 . . . . . . . . 6022 1 353 . 1 1 51 51 ILE HG21 H 1 1.03 0.01 . 1 . . . . . . . . 6022 1 354 . 1 1 51 51 ILE HG22 H 1 1.03 0.01 . 1 . . . . . . . . 6022 1 355 . 1 1 51 51 ILE HG23 H 1 1.03 0.01 . 1 . . . . . . . . 6022 1 356 . 1 1 51 51 ILE HD11 H 1 0.73 0.01 . 1 . . . . . . . . 6022 1 357 . 1 1 51 51 ILE HD12 H 1 0.73 0.01 . 1 . . . . . . . . 6022 1 358 . 1 1 51 51 ILE HD13 H 1 0.73 0.01 . 1 . . . . . . . . 6022 1 359 . 1 1 51 51 ILE N N 15 127.5 0.01 . 1 . . . . . . . . 6022 1 360 . 1 1 52 52 VAL H H 1 9.11 0.01 . 1 . . . . . . . . 6022 1 361 . 1 1 52 52 VAL HA H 1 5.23 0.01 . 1 . . . . . . . . 6022 1 362 . 1 1 52 52 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 6022 1 363 . 1 1 52 52 VAL HG11 H 1 0.90 0.01 . 2 . . . . . . . . 6022 1 364 . 1 1 52 52 VAL HG12 H 1 0.90 0.01 . 2 . . . . . . . . 6022 1 365 . 1 1 52 52 VAL HG13 H 1 0.90 0.01 . 2 . . . . . . . . 6022 1 366 . 1 1 52 52 VAL HG21 H 1 0.99 0.01 . 2 . . . . . . . . 6022 1 367 . 1 1 52 52 VAL HG22 H 1 0.99 0.01 . 2 . . . . . . . . 6022 1 368 . 1 1 52 52 VAL HG23 H 1 0.99 0.01 . 2 . . . . . . . . 6022 1 369 . 1 1 52 52 VAL N N 15 126.2 0.01 . 1 . . . . . . . . 6022 1 370 . 1 1 53 53 TYR H H 1 9.51 0.01 . 1 . . . . . . . . 6022 1 371 . 1 1 53 53 TYR HA H 1 5.79 0.01 . 1 . . . . . . . . 6022 1 372 . 1 1 53 53 TYR HB2 H 1 2.84 0.01 . 1 . . . . . . . . 6022 1 373 . 1 1 53 53 TYR HB3 H 1 2.75 0.01 . 1 . . . . . . . . 6022 1 374 . 1 1 53 53 TYR HD1 H 1 6.96 0.01 . 1 . . . . . . . . 6022 1 375 . 1 1 53 53 TYR HD2 H 1 6.96 0.01 . 1 . . . . . . . . 6022 1 376 . 1 1 53 53 TYR HE1 H 1 6.68 0.01 . 1 . . . . . . . . 6022 1 377 . 1 1 53 53 TYR HE2 H 1 6.68 0.01 . 1 . . . . . . . . 6022 1 378 . 1 1 53 53 TYR N N 15 124.4 0.01 . 1 . . . . . . . . 6022 1 379 . 1 1 54 54 GLN H H 1 8.84 0.01 . 1 . . . . . . . . 6022 1 380 . 1 1 54 54 GLN HA H 1 5.16 0.01 . 1 . . . . . . . . 6022 1 381 . 1 1 54 54 GLN HB2 H 1 2.16 0.01 . 1 . . . . . . . . 6022 1 382 . 1 1 54 54 GLN HB3 H 1 2.16 0.01 . 1 . . . . . . . . 6022 1 383 . 1 1 54 54 GLN HG2 H 1 2.28 0.01 . 1 . . . . . . . . 6022 1 384 . 1 1 54 54 GLN HG3 H 1 2.43 0.01 . 1 . . . . . . . . 6022 1 385 . 1 1 54 54 GLN HE21 H 1 7.64 0.01 . 1 . . . . . . . . 6022 1 386 . 1 1 54 54 GLN HE22 H 1 6.80 0.01 . 1 . . . . . . . . 6022 1 387 . 1 1 54 54 GLN N N 15 117.2 0.01 . 1 . . . . . . . . 6022 1 388 . 1 1 55 55 PRO HA H 1 4.47 0.01 . 2 . . . . . . . . 6022 1 389 . 1 1 55 55 PRO HB2 H 1 1.92 0.01 . 1 . . . . . . . . 6022 1 390 . 1 1 55 55 PRO HB3 H 1 1.92 0.01 . 1 . . . . . . . . 6022 1 391 . 1 1 55 55 PRO HG2 H 1 2.06 0.01 . 1 . . . . . . . . 6022 1 392 . 1 1 55 55 PRO HG3 H 1 2.06 0.01 . 1 . . . . . . . . 6022 1 393 . 1 1 55 55 PRO HD2 H 1 3.59 0.01 . 1 . . . . . . . . 6022 1 394 . 1 1 55 55 PRO HD3 H 1 4.09 0.01 . 1 . . . . . . . . 6022 1 395 . 1 1 56 56 HIS H H 1 8.42 0.01 . 1 . . . . . . . . 6022 1 396 . 1 1 56 56 HIS HA H 1 4.69 0.01 . 1 . . . . . . . . 6022 1 397 . 1 1 56 56 HIS HB2 H 1 3.33 0.01 . 1 . . . . . . . . 6022 1 398 . 1 1 56 56 HIS HB3 H 1 2.99 0.01 . 1 . . . . . . . . 6022 1 399 . 1 1 56 56 HIS HD2 H 1 7.00 0.01 . 1 . . . . . . . . 6022 1 400 . 1 1 56 56 HIS HE1 H 1 7.72 0.01 . 1 . . . . . . . . 6022 1 401 . 1 1 56 56 HIS N N 15 111.9 0.01 . 1 . . . . . . . . 6022 1 402 . 1 1 57 57 LEU H H 1 7.76 0.01 . 1 . . . . . . . . 6022 1 403 . 1 1 57 57 LEU HA H 1 4.48 0.01 . 1 . . . . . . . . 6022 1 404 . 1 1 57 57 LEU HB2 H 1 1.21 0.01 . 1 . . . . . . . . 6022 1 405 . 1 1 57 57 LEU HB3 H 1 1.65 0.01 . 1 . . . . . . . . 6022 1 406 . 1 1 57 57 LEU HG H 1 0.81 0.01 . 1 . . . . . . . . 6022 1 407 . 1 1 57 57 LEU HD11 H 1 0.43 0.01 . 2 . . . . . . . . 6022 1 408 . 1 1 57 57 LEU HD12 H 1 0.43 0.01 . 2 . . . . . . . . 6022 1 409 . 1 1 57 57 LEU HD13 H 1 0.43 0.01 . 2 . . . . . . . . 6022 1 410 . 1 1 57 57 LEU HD21 H 1 0.79 0.01 . 2 . . . . . . . . 6022 1 411 . 1 1 57 57 LEU HD22 H 1 0.79 0.01 . 2 . . . . . . . . 6022 1 412 . 1 1 57 57 LEU HD23 H 1 0.79 0.01 . 2 . . . . . . . . 6022 1 413 . 1 1 57 57 LEU N N 15 117.8 0.01 . 1 . . . . . . . . 6022 1 414 . 1 1 58 58 ILE H H 1 7.95 0.01 . 1 . . . . . . . . 6022 1 415 . 1 1 58 58 ILE HA H 1 4.56 0.01 . 1 . . . . . . . . 6022 1 416 . 1 1 58 58 ILE HB H 1 2.22 0.01 . 1 . . . . . . . . 6022 1 417 . 1 1 58 58 ILE HG12 H 1 1.41 0.01 . 1 . . . . . . . . 6022 1 418 . 1 1 58 58 ILE HG13 H 1 1.68 0.01 . 1 . . . . . . . . 6022 1 419 . 1 1 58 58 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 6022 1 420 . 1 1 58 58 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 6022 1 421 . 1 1 58 58 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 6022 1 422 . 1 1 58 58 ILE HD11 H 1 0.89 0.01 . 1 . . . . . . . . 6022 1 423 . 1 1 58 58 ILE HD12 H 1 0.89 0.01 . 1 . . . . . . . . 6022 1 424 . 1 1 58 58 ILE HD13 H 1 0.89 0.01 . 1 . . . . . . . . 6022 1 425 . 1 1 58 58 ILE N N 15 117.8 0.01 . 1 . . . . . . . . 6022 1 426 . 1 1 59 59 SER H H 1 7.57 0.01 . 1 . . . . . . . . 6022 1 427 . 1 1 59 59 SER HA H 1 5.15 0.01 . 1 . . . . . . . . 6022 1 428 . 1 1 59 59 SER HB2 H 1 4.44 0.01 . 1 . . . . . . . . 6022 1 429 . 1 1 59 59 SER HB3 H 1 4.05 0.01 . 1 . . . . . . . . 6022 1 430 . 1 1 59 59 SER N N 15 115.03 0.01 . 1 . . . . . . . . 6022 1 431 . 1 1 60 60 VAL H H 1 8.54 0.01 . 1 . . . . . . . . 6022 1 432 . 1 1 60 60 VAL HA H 1 3.24 0.01 . 1 . . . . . . . . 6022 1 433 . 1 1 60 60 VAL HB H 1 1.98 0.01 . 1 . . . . . . . . 6022 1 434 . 1 1 60 60 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 6022 1 435 . 1 1 60 60 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 6022 1 436 . 1 1 60 60 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 6022 1 437 . 1 1 60 60 VAL HG21 H 1 1.08 0.01 . 2 . . . . . . . . 6022 1 438 . 1 1 60 60 VAL HG22 H 1 1.08 0.01 . 2 . . . . . . . . 6022 1 439 . 1 1 60 60 VAL HG23 H 1 1.08 0.01 . 2 . . . . . . . . 6022 1 440 . 1 1 60 60 VAL N N 15 118.7 0.01 . 1 . . . . . . . . 6022 1 441 . 1 1 61 61 GLU H H 1 8.66 0.01 . 1 . . . . . . . . 6022 1 442 . 1 1 61 61 GLU HA H 1 3.87 0.01 . 1 . . . . . . . . 6022 1 443 . 1 1 61 61 GLU HB2 H 1 1.97 0.01 . 1 . . . . . . . . 6022 1 444 . 1 1 61 61 GLU HB3 H 1 2.13 0.01 . 1 . . . . . . . . 6022 1 445 . 1 1 61 61 GLU HG2 H 1 2.30 0.01 . 1 . . . . . . . . 6022 1 446 . 1 1 61 61 GLU HG3 H 1 2.50 0.01 . 1 . . . . . . . . 6022 1 447 . 1 1 61 61 GLU N N 15 115.43 0.01 . 1 . . . . . . . . 6022 1 448 . 1 1 62 62 GLU H H 1 7.91 0.01 . 1 . . . . . . . . 6022 1 449 . 1 1 62 62 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 6022 1 450 . 1 1 62 62 GLU HB2 H 1 2.02 0.01 . 1 . . . . . . . . 6022 1 451 . 1 1 62 62 GLU HB3 H 1 2.23 0.01 . 1 . . . . . . . . 6022 1 452 . 1 1 62 62 GLU HG2 H 1 2.49 0.01 . 1 . . . . . . . . 6022 1 453 . 1 1 62 62 GLU HG3 H 1 2.49 0.01 . 1 . . . . . . . . 6022 1 454 . 1 1 62 62 GLU N N 15 118.4 0.01 . 1 . . . . . . . . 6022 1 455 . 1 1 63 63 MET H H 1 7.61 0.01 . 1 . . . . . . . . 6022 1 456 . 1 1 63 63 MET HA H 1 3.65 0.01 . 1 . . . . . . . . 6022 1 457 . 1 1 63 63 MET HB2 H 1 1.88 0.01 . 1 . . . . . . . . 6022 1 458 . 1 1 63 63 MET HB3 H 1 2.06 0.01 . 1 . . . . . . . . 6022 1 459 . 1 1 63 63 MET HG2 H 1 2.52 0.01 . 1 . . . . . . . . 6022 1 460 . 1 1 63 63 MET HG3 H 1 2.52 0.01 . 1 . . . . . . . . 6022 1 461 . 1 1 63 63 MET HE1 H 1 1.45 0.01 . 1 . . . . . . . . 6022 1 462 . 1 1 63 63 MET HE2 H 1 1.45 0.01 . 1 . . . . . . . . 6022 1 463 . 1 1 63 63 MET HE3 H 1 1.45 0.01 . 1 . . . . . . . . 6022 1 464 . 1 1 63 63 MET N N 15 115.9 0.01 . 1 . . . . . . . . 6022 1 465 . 1 1 64 64 LYS H H 1 8.46 0.01 . 1 . . . . . . . . 6022 1 466 . 1 1 64 64 LYS HA H 1 3.62 0.01 . 1 . . . . . . . . 6022 1 467 . 1 1 64 64 LYS HB2 H 1 1.93 0.01 . 1 . . . . . . . . 6022 1 468 . 1 1 64 64 LYS HB3 H 1 1.93 0.01 . 1 . . . . . . . . 6022 1 469 . 1 1 64 64 LYS HG2 H 1 1.60 0.01 . 1 . . . . . . . . 6022 1 470 . 1 1 64 64 LYS HG3 H 1 1.60 0.01 . 1 . . . . . . . . 6022 1 471 . 1 1 64 64 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 6022 1 472 . 1 1 64 64 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 6022 1 473 . 1 1 64 64 LYS N N 15 116.1 0.01 . 1 . . . . . . . . 6022 1 474 . 1 1 65 65 LYS H H 1 8.10 0.01 . 1 . . . . . . . . 6022 1 475 . 1 1 65 65 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 6022 1 476 . 1 1 65 65 LYS HB2 H 1 1.94 0.01 . 1 . . . . . . . . 6022 1 477 . 1 1 65 65 LYS HB3 H 1 2.00 0.01 . 1 . . . . . . . . 6022 1 478 . 1 1 65 65 LYS HG2 H 1 1.60 0.01 . 1 . . . . . . . . 6022 1 479 . 1 1 65 65 LYS HG3 H 1 1.26 0.01 . 1 . . . . . . . . 6022 1 480 . 1 1 65 65 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 6022 1 481 . 1 1 65 65 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 6022 1 482 . 1 1 65 65 LYS N N 15 115.6 0.01 . 1 . . . . . . . . 6022 1 483 . 1 1 66 66 GLN H H 1 8.05 0.01 . 1 . . . . . . . . 6022 1 484 . 1 1 66 66 GLN HA H 1 4.07 0.01 . 1 . . . . . . . . 6022 1 485 . 1 1 66 66 GLN HB2 H 1 2.12 0.01 . 1 . . . . . . . . 6022 1 486 . 1 1 66 66 GLN HB3 H 1 1.97 0.01 . 1 . . . . . . . . 6022 1 487 . 1 1 66 66 GLN HG2 H 1 2.43 0.01 . 1 . . . . . . . . 6022 1 488 . 1 1 66 66 GLN HG3 H 1 2.65 0.01 . 1 . . . . . . . . 6022 1 489 . 1 1 66 66 GLN HE21 H 1 7.89 0.01 . 1 . . . . . . . . 6022 1 490 . 1 1 66 66 GLN HE22 H 1 6.75 0.01 . 1 . . . . . . . . 6022 1 491 . 1 1 66 66 GLN N N 15 115.4 0.01 . 1 . . . . . . . . 6022 1 492 . 1 1 67 67 ILE H H 1 7.93 0.01 . 1 . . . . . . . . 6022 1 493 . 1 1 67 67 ILE HA H 1 3.74 0.01 . 1 . . . . . . . . 6022 1 494 . 1 1 67 67 ILE HB H 1 1.83 0.01 . 1 . . . . . . . . 6022 1 495 . 1 1 67 67 ILE HG12 H 1 1.18 0.01 . 1 . . . . . . . . 6022 1 496 . 1 1 67 67 ILE HG13 H 1 1.977 0.01 . 1 . . . . . . . . 6022 1 497 . 1 1 67 67 ILE HG21 H 1 0.65 0.01 . 1 . . . . . . . . 6022 1 498 . 1 1 67 67 ILE HG22 H 1 0.65 0.01 . 1 . . . . . . . . 6022 1 499 . 1 1 67 67 ILE HG23 H 1 0.65 0.01 . 1 . . . . . . . . 6022 1 500 . 1 1 67 67 ILE HD11 H 1 0.61 0.01 . 1 . . . . . . . . 6022 1 501 . 1 1 67 67 ILE HD12 H 1 0.61 0.01 . 1 . . . . . . . . 6022 1 502 . 1 1 67 67 ILE HD13 H 1 0.61 0.01 . 1 . . . . . . . . 6022 1 503 . 1 1 67 67 ILE N N 15 119.4 0.01 . 1 . . . . . . . . 6022 1 504 . 1 1 68 68 GLU H H 1 8.55 0.01 . 1 . . . . . . . . 6022 1 505 . 1 1 68 68 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 6022 1 506 . 1 1 68 68 GLU HB2 H 1 2.13 0.01 . 1 . . . . . . . . 6022 1 507 . 1 1 68 68 GLU HB3 H 1 1.90 0.01 . 1 . . . . . . . . 6022 1 508 . 1 1 68 68 GLU HG2 H 1 2.61 0.01 . 1 . . . . . . . . 6022 1 509 . 1 1 68 68 GLU HG3 H 1 2.73 0.01 . 1 . . . . . . . . 6022 1 510 . 1 1 68 68 GLU N N 15 117.3 0.01 . 1 . . . . . . . . 6022 1 511 . 1 1 69 69 ALA H H 1 8.31 0.01 . 1 . . . . . . . . 6022 1 512 . 1 1 69 69 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 6022 1 513 . 1 1 69 69 ALA HB1 H 1 1.54 0.01 . 1 . . . . . . . . 6022 1 514 . 1 1 69 69 ALA HB2 H 1 1.54 0.01 . 1 . . . . . . . . 6022 1 515 . 1 1 69 69 ALA HB3 H 1 1.54 0.01 . 1 . . . . . . . . 6022 1 516 . 1 1 69 69 ALA N N 15 120.4 0.01 . 1 . . . . . . . . 6022 1 517 . 1 1 70 70 MET H H 1 7.62 0.01 . 1 . . . . . . . . 6022 1 518 . 1 1 70 70 MET HA H 1 4.33 0.01 . 1 . . . . . . . . 6022 1 519 . 1 1 70 70 MET HB2 H 1 2.71 0.01 . 1 . . . . . . . . 6022 1 520 . 1 1 70 70 MET HB3 H 1 2.67 0.01 . 1 . . . . . . . . 6022 1 521 . 1 1 70 70 MET HG2 H 1 2.51 0.01 . 1 . . . . . . . . 6022 1 522 . 1 1 70 70 MET HG3 H 1 2.99 0.01 . 1 . . . . . . . . 6022 1 523 . 1 1 70 70 MET HE1 H 1 2.24 0.01 . 1 . . . . . . . . 6022 1 524 . 1 1 70 70 MET HE2 H 1 2.24 0.01 . 1 . . . . . . . . 6022 1 525 . 1 1 70 70 MET HE3 H 1 2.24 0.01 . 1 . . . . . . . . 6022 1 526 . 1 1 70 70 MET N N 15 113.2 0.01 . 1 . . . . . . . . 6022 1 527 . 1 1 71 71 GLY H H 1 7.90 0.01 . 1 . . . . . . . . 6022 1 528 . 1 1 71 71 GLY HA2 H 1 3.47 0.01 . 1 . . . . . . . . 6022 1 529 . 1 1 71 71 GLY HA3 H 1 3.97 0.01 . 1 . . . . . . . . 6022 1 530 . 1 1 71 71 GLY N N 15 102.4 0.01 . 1 . . . . . . . . 6022 1 531 . 1 1 72 72 PHE H H 1 6.82 0.01 . 1 . . . . . . . . 6022 1 532 . 1 1 72 72 PHE HA H 1 5.22 0.01 . 1 . . . . . . . . 6022 1 533 . 1 1 72 72 PHE HB2 H 1 2.69 0.01 . 1 . . . . . . . . 6022 1 534 . 1 1 72 72 PHE HB3 H 1 3.38 0.01 . 1 . . . . . . . . 6022 1 535 . 1 1 72 72 PHE HD1 H 1 7.27 0.01 . 1 . . . . . . . . 6022 1 536 . 1 1 72 72 PHE HD2 H 1 7.27 0.01 . 1 . . . . . . . . 6022 1 537 . 1 1 72 72 PHE HE1 H 1 7.30 0.01 . 1 . . . . . . . . 6022 1 538 . 1 1 72 72 PHE HE2 H 1 7.30 0.01 . 1 . . . . . . . . 6022 1 539 . 1 1 72 72 PHE HZ H 1 7.35 0.01 . 1 . . . . . . . . 6022 1 540 . 1 1 72 72 PHE N N 15 118.7 0.01 . 2 . . . . . . . . 6022 1 541 . 1 1 73 73 PRO HA H 1 4.25 0.01 . 1 . . . . . . . . 6022 1 542 . 1 1 73 73 PRO HB2 H 1 2.33 0.01 . 1 . . . . . . . . 6022 1 543 . 1 1 73 73 PRO HB3 H 1 1.92 0.01 . 1 . . . . . . . . 6022 1 544 . 1 1 73 73 PRO HG2 H 1 2.16 0.01 . 1 . . . . . . . . 6022 1 545 . 1 1 73 73 PRO HG3 H 1 2.16 0.01 . 1 . . . . . . . . 6022 1 546 . 1 1 73 73 PRO HD2 H 1 3.64 0.01 . 1 . . . . . . . . 6022 1 547 . 1 1 73 73 PRO HD3 H 1 3.96 0.01 . 1 . . . . . . . . 6022 1 548 . 1 1 74 74 ALA H H 1 8.16 0.01 . 1 . . . . . . . . 6022 1 549 . 1 1 74 74 ALA HA H 1 5.60 0.01 . 1 . . . . . . . . 6022 1 550 . 1 1 74 74 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 6022 1 551 . 1 1 74 74 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 6022 1 552 . 1 1 74 74 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 6022 1 553 . 1 1 74 74 ALA N N 15 122.3 0.01 . 1 . . . . . . . . 6022 1 554 . 1 1 75 75 PHE H H 1 8.73 0.01 . 1 . . . . . . . . 6022 1 555 . 1 1 75 75 PHE HA H 1 4.86 0.01 . 1 . . . . . . . . 6022 1 556 . 1 1 75 75 PHE HB2 H 1 2.88 0.01 . 1 . . . . . . . . 6022 1 557 . 1 1 75 75 PHE HB3 H 1 3.19 0.01 . 1 . . . . . . . . 6022 1 558 . 1 1 75 75 PHE HD1 H 1 7.16 0.01 . 1 . . . . . . . . 6022 1 559 . 1 1 75 75 PHE HD2 H 1 7.16 0.01 . 1 . . . . . . . . 6022 1 560 . 1 1 75 75 PHE HE1 H 1 7.32 0.01 . 1 . . . . . . . . 6022 1 561 . 1 1 75 75 PHE HE2 H 1 7.32 0.01 . 1 . . . . . . . . 6022 1 562 . 1 1 75 75 PHE N N 15 114.6 0.01 . 1 . . . . . . . . 6022 1 563 . 1 1 76 76 VAL H H 1 9.00 0.01 . 1 . . . . . . . . 6022 1 564 . 1 1 76 76 VAL HA H 1 4.01 0.01 . 1 . . . . . . . . 6022 1 565 . 1 1 76 76 VAL HB H 1 1.84 0.01 . 1 . . . . . . . . 6022 1 566 . 1 1 76 76 VAL HG11 H 1 0.68 0.01 . 2 . . . . . . . . 6022 1 567 . 1 1 76 76 VAL HG12 H 1 0.68 0.01 . 2 . . . . . . . . 6022 1 568 . 1 1 76 76 VAL HG13 H 1 0.68 0.01 . 2 . . . . . . . . 6022 1 569 . 1 1 76 76 VAL HG21 H 1 1.03 0.01 . 2 . . . . . . . . 6022 1 570 . 1 1 76 76 VAL HG22 H 1 1.03 0.01 . 2 . . . . . . . . 6022 1 571 . 1 1 76 76 VAL HG23 H 1 1.03 0.01 . 2 . . . . . . . . 6022 1 572 . 1 1 77 77 LYS H H 1 8.60 0.01 . 1 . . . . . . . . 6022 1 573 . 1 1 77 77 LYS HA H 1 4.49 0.01 . 1 . . . . . . . . 6022 1 574 . 1 1 77 77 LYS HB2 H 1 1.70 0.01 . 1 . . . . . . . . 6022 1 575 . 1 1 77 77 LYS HB3 H 1 1.70 0.01 . 1 . . . . . . . . 6022 1 576 . 1 1 77 77 LYS N N 15 126.3 0.01 . 1 . . . . . . . . 6022 1 577 . 1 1 78 78 LYS H H 1 8.33 0.01 . 1 . . . . . . . . 6022 1 578 . 1 1 78 78 LYS HA H 1 4.51 0.01 . 1 . . . . . . . . 6022 1 579 . 1 1 78 78 LYS HB2 H 1 1.90 0.01 . 1 . . . . . . . . 6022 1 580 . 1 1 78 78 LYS HB3 H 1 1.90 0.01 . 1 . . . . . . . . 6022 1 581 . 1 1 78 78 LYS N N 15 121.6 0.01 . 1 . . . . . . . . 6022 1 582 . 1 1 81 81 LYS H H 1 8.31 0.01 . 5 . . . . . . . . 6022 1 stop_ save_