data_16719 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16719 _Entry.Title ; Solution structure of Cytotoxic T-Lymphocyte Antigent-2(CTLA-2) like protein, Crammer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-11 _Entry.Accession_date 2010-02-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Tain-Sheng Tzeng . . . 16719 2 Chao-Sheng Cheng . . . 16719 3 Yu-Nan Liu . . . 16719 4 Min-fang Shih . . . 16719 5 Ping-Chiang Lyu . . . 16719 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' . 16719 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha helix' . 16719 crammer . 16719 monomer . 16719 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16719 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 215 16719 '15N chemical shifts' 73 16719 '1H chemical shifts' 351 16719 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 . . 2012-08-22 2010-02-11 update BMRB 'update entry citation' 16719 1 . . 2011-12-20 2010-02-11 original author 'original release' 16719 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L95 'BMRB Entry Tracking System' 16719 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16719 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22150223 _Citation.Full_citation . _Citation.Title 'A molten globule-to-ordered structure transition of Drosophila melanogaster crammer is required for its ability to inhibit cathepsin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 442 _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 563 _Citation.Page_last 572 _Citation.Year 2012 _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 Tien-Sheng Tseng . . . 16719 1 2 Chao-Sheng Cheng . . . 16719 1 3 Dian-Jiun Chen . . . 16719 1 4 Min-Fang Shih . . . 16719 1 5 Yu-Nan Liu . . . 16719 1 6 'Shang-Te Danny' Hsu . . . 16719 1 7 Ping-Chiang Lyu . . . 16719 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16719 _Assembly.ID 1 _Assembly.Name Crammer _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 Crammer 1 $entity A . yes native no no . . . 16719 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16719 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Crammer _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 ; MMSLVSDEEWVEYKSKFDKN YEAEEDLMRRRIYAESKARI EEHNRKFEKGEVTWKMGINH LADLTPEEFAQRSGKKVPPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9595.900 _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 17367 . C72S_monomer . . . . . 100.00 80 100.00 100.00 1.16e-50 . . . . 16719 1 2 no PDB 2L95 . "Solution Structure Of Cytotoxic T-Lymphocyte Antigent-2(Ctla Protein), Crammer At Ph 6.0" . . . . . 100.00 80 100.00 100.00 1.16e-50 . . . . 16719 1 3 no GB AAF57567 . "crammer [Drosophila melanogaster]" . . . . . 98.75 79 98.73 98.73 3.84e-49 . . . . 16719 1 4 no GB ACJ13252 . "LP06209p [Drosophila melanogaster]" . . . . . 98.75 79 98.73 98.73 3.84e-49 . . . . 16719 1 5 no GB EDV55205 . "uncharacterized protein Dere_GG20910 [Drosophila erecta]" . . . . . 97.50 79 97.44 98.72 7.50e-48 . . . . 16719 1 6 no GB EDW48595 . "GM19834 [Drosophila sechellia]" . . . . . 98.75 79 98.73 98.73 3.84e-49 . . . . 16719 1 7 no GB EDX07811 . "GD25324 [Drosophila simulans]" . . . . . 98.75 79 98.73 98.73 3.84e-49 . . . . 16719 1 8 no REF NP_611420 . "crammer [Drosophila melanogaster]" . . . . . 98.75 79 98.73 98.73 3.84e-49 . . . . 16719 1 9 no REF XP_001974805 . "GG20910 [Drosophila erecta]" . . . . . 97.50 79 97.44 98.72 7.50e-48 . . . . 16719 1 10 no REF XP_002034582 . "GM19834 [Drosophila sechellia]" . . . . . 98.75 79 98.73 98.73 3.84e-49 . . . . 16719 1 11 no REF XP_002082226 . "GD25324 [Drosophila simulans]" . . . . . 98.75 79 98.73 98.73 3.84e-49 . . . . 16719 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16719 1 2 . MET . 16719 1 3 . SER . 16719 1 4 . LEU . 16719 1 5 . VAL . 16719 1 6 . SER . 16719 1 7 . ASP . 16719 1 8 . GLU . 16719 1 9 . GLU . 16719 1 10 . TRP . 16719 1 11 . VAL . 16719 1 12 . GLU . 16719 1 13 . TYR . 16719 1 14 . LYS . 16719 1 15 . SER . 16719 1 16 . LYS . 16719 1 17 . PHE . 16719 1 18 . ASP . 16719 1 19 . LYS . 16719 1 20 . ASN . 16719 1 21 . TYR . 16719 1 22 . GLU . 16719 1 23 . ALA . 16719 1 24 . GLU . 16719 1 25 . GLU . 16719 1 26 . ASP . 16719 1 27 . LEU . 16719 1 28 . MET . 16719 1 29 . ARG . 16719 1 30 . ARG . 16719 1 31 . ARG . 16719 1 32 . ILE . 16719 1 33 . TYR . 16719 1 34 . ALA . 16719 1 35 . GLU . 16719 1 36 . SER . 16719 1 37 . LYS . 16719 1 38 . ALA . 16719 1 39 . ARG . 16719 1 40 . ILE . 16719 1 41 . GLU . 16719 1 42 . GLU . 16719 1 43 . HIS . 16719 1 44 . ASN . 16719 1 45 . ARG . 16719 1 46 . LYS . 16719 1 47 . PHE . 16719 1 48 . GLU . 16719 1 49 . LYS . 16719 1 50 . GLY . 16719 1 51 . GLU . 16719 1 52 . VAL . 16719 1 53 . THR . 16719 1 54 . TRP . 16719 1 55 . LYS . 16719 1 56 . MET . 16719 1 57 . GLY . 16719 1 58 . ILE . 16719 1 59 . ASN . 16719 1 60 . HIS . 16719 1 61 . LEU . 16719 1 62 . ALA . 16719 1 63 . ASP . 16719 1 64 . LEU . 16719 1 65 . THR . 16719 1 66 . PRO . 16719 1 67 . GLU . 16719 1 68 . GLU . 16719 1 69 . PHE . 16719 1 70 . ALA . 16719 1 71 . GLN . 16719 1 72 . ARG . 16719 1 73 . SER . 16719 1 74 . GLY . 16719 1 75 . LYS . 16719 1 76 . LYS . 16719 1 77 . VAL . 16719 1 78 . PRO . 16719 1 79 . PRO . 16719 1 80 . ASN . 16719 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16719 1 . MET 2 2 16719 1 . SER 3 3 16719 1 . LEU 4 4 16719 1 . VAL 5 5 16719 1 . SER 6 6 16719 1 . ASP 7 7 16719 1 . GLU 8 8 16719 1 . GLU 9 9 16719 1 . TRP 10 10 16719 1 . VAL 11 11 16719 1 . GLU 12 12 16719 1 . TYR 13 13 16719 1 . LYS 14 14 16719 1 . SER 15 15 16719 1 . LYS 16 16 16719 1 . PHE 17 17 16719 1 . ASP 18 18 16719 1 . LYS 19 19 16719 1 . ASN 20 20 16719 1 . TYR 21 21 16719 1 . GLU 22 22 16719 1 . ALA 23 23 16719 1 . GLU 24 24 16719 1 . GLU 25 25 16719 1 . ASP 26 26 16719 1 . LEU 27 27 16719 1 . MET 28 28 16719 1 . ARG 29 29 16719 1 . ARG 30 30 16719 1 . ARG 31 31 16719 1 . ILE 32 32 16719 1 . TYR 33 33 16719 1 . ALA 34 34 16719 1 . GLU 35 35 16719 1 . SER 36 36 16719 1 . LYS 37 37 16719 1 . ALA 38 38 16719 1 . ARG 39 39 16719 1 . ILE 40 40 16719 1 . GLU 41 41 16719 1 . GLU 42 42 16719 1 . HIS 43 43 16719 1 . ASN 44 44 16719 1 . ARG 45 45 16719 1 . LYS 46 46 16719 1 . PHE 47 47 16719 1 . GLU 48 48 16719 1 . LYS 49 49 16719 1 . GLY 50 50 16719 1 . GLU 51 51 16719 1 . VAL 52 52 16719 1 . THR 53 53 16719 1 . TRP 54 54 16719 1 . LYS 55 55 16719 1 . MET 56 56 16719 1 . GLY 57 57 16719 1 . ILE 58 58 16719 1 . ASN 59 59 16719 1 . HIS 60 60 16719 1 . LEU 61 61 16719 1 . ALA 62 62 16719 1 . ASP 63 63 16719 1 . LEU 64 64 16719 1 . THR 65 65 16719 1 . PRO 66 66 16719 1 . GLU 67 67 16719 1 . GLU 68 68 16719 1 . PHE 69 69 16719 1 . ALA 70 70 16719 1 . GLN 71 71 16719 1 . ARG 72 72 16719 1 . SER 73 73 16719 1 . GLY 74 74 16719 1 . LYS 75 75 16719 1 . LYS 76 76 16719 1 . VAL 77 77 16719 1 . PRO 78 78 16719 1 . PRO 79 79 16719 1 . ASN 80 80 16719 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 16719 _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 $entity . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 16719 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 16719 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PAED4 . . . . . . 16719 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16719 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 0 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 10 . . mM . . . . 16719 1 2 'Citric acid-phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16719 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16719 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 0 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 10 . . mM . . . . 16719 2 2 'Citric acid-phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16719 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16719 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 0 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 10 . . mM . . . . 16719 3 2 'Citric acid-phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16719 3 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 16719 _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 pH 6 . pH 16719 1 pressure 1 . atm 16719 1 temperature 298 . K 16719 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16719 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16719 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16719 1 'chemical shift calculation' 16719 1 processing 16719 1 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16719 _Software.ID 2 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16719 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16719 2 'structure solution' 16719 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16719 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16719 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16719 3 'structure solution' 16719 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16719 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16719 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16719 4 'structure solution' 16719 4 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 16719 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16719 _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 AMX . 600 . . . 16719 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 16719 _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 . . . . . . . . . . . . . . . . 16719 1 2 '2D DQF-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 3 '2D 1H-1H COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 10 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16719 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 16719 _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 TSP-d4 'methyl protons' 1 mM 90%H2O+10%D2O . ppm 0.011 internal . 0.10132913 . . . . . . . . . 16719 1 H 1 TSP-d4 'methyl protons' 1 mM 90%H2O+10%D2O . ppm 0.1 internal . 1.0 . . . . . . . . . 16719 1 N 15 TSP-d4 'methyl protons' 1 mM 90%H2O+10%D2O . ppm 0.024 internal . 0.25145023 . . . . . . . . . 16719 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 16719 _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' . . . 16719 1 2 '2D DQF-COSY' . . . 16719 1 3 '2D 1H-1H COSY' . . . 16719 1 4 '2D 1H-1H NOESY' . . . 16719 1 5 '3D CBCA(CO)NH' . . . 16719 1 6 '3D HNCO' . . . 16719 1 7 '3D HNCA' . . . 16719 1 8 '3D HNCACB' . . . 16719 1 9 '3D HBHA(CO)NH' . . . 16719 1 10 '3D HN(CO)CA' . . . 16719 1 11 '3D 1H-15N NOESY' . . . 16719 1 12 '3D 1H-15N TOCSY' . . . 16719 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16719 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 172.586 . . . . . . A 1 MET C . 16719 1 2 . 1 1 1 1 MET CA C 13 53.709 . . 1 . . . A 1 MET CA . 16719 1 3 . 1 1 1 1 MET CB C 13 30.432 . . 1 . . . A 1 MET CB . 16719 1 4 . 1 1 2 2 MET H H 1 7.93 . . 1 . . . A 2 MET H . 16719 1 5 . 1 1 2 2 MET HA H 1 4.018 . . 1 . . . A 2 MET HA . 16719 1 6 . 1 1 2 2 MET HB2 H 1 1.268 . . 2 . . . A 2 MET HB2 . 16719 1 7 . 1 1 2 2 MET HG2 H 1 1.712 . . 2 . . . A 2 MET HG2 . 16719 1 8 . 1 1 2 2 MET C C 13 178.33 . . . . . . A 2 MET C . 16719 1 9 . 1 1 2 2 MET CA C 13 54.993 . . 1 . . . A 2 MET CA . 16719 1 10 . 1 1 2 2 MET CB C 13 30.981 . . 1 . . . A 2 MET CB . 16719 1 11 . 1 1 3 3 SER H H 1 7.985 . . 1 . . . A 3 SER H . 16719 1 12 . 1 1 3 3 SER HA H 1 4.363 . . 1 . . . A 3 SER HA . 16719 1 13 . 1 1 3 3 SER HB2 H 1 3.678 . . 2 . . . A 3 SER HB2 . 16719 1 14 . 1 1 3 3 SER HB3 H 1 3.543 . . 2 . . . A 3 SER HB3 . 16719 1 15 . 1 1 3 3 SER C C 13 170.904 . . . . . . A 3 SER C . 16719 1 16 . 1 1 3 3 SER CA C 13 55.578 . . 1 . . . A 3 SER CA . 16719 1 17 . 1 1 3 3 SER CB C 13 61.369 . . 1 . . . A 3 SER CB . 16719 1 18 . 1 1 3 3 SER N N 15 118.076 . . 1 . . . A 3 SER N . 16719 1 19 . 1 1 4 4 LEU H H 1 8.254 . . 1 . . . A 4 LEU H . 16719 1 20 . 1 1 4 4 LEU HA H 1 4.23 . . 1 . . . A 4 LEU HA . 16719 1 21 . 1 1 4 4 LEU HB2 H 1 1.537 . . 2 . . . A 4 LEU HB2 . 16719 1 22 . 1 1 4 4 LEU HB3 H 1 1.457 . . 2 . . . A 4 LEU HB3 . 16719 1 23 . 1 1 4 4 LEU HD11 H 1 0.779 . . . . . . A 4 LEU HD11 . 16719 1 24 . 1 1 4 4 LEU HD12 H 1 0.779 . . . . . . A 4 LEU HD12 . 16719 1 25 . 1 1 4 4 LEU HD13 H 1 0.779 . . . . . . A 4 LEU HD13 . 16719 1 26 . 1 1 4 4 LEU C C 13 173.923 . . . . . . A 4 LEU C . 16719 1 27 . 1 1 4 4 LEU CA C 13 52.721 . . 1 . . . A 4 LEU CA . 16719 1 28 . 1 1 4 4 LEU CB C 13 39.916 . . 1 . . . A 4 LEU CB . 16719 1 29 . 1 1 4 4 LEU N N 15 123.864 . . 1 . . . A 4 LEU N . 16719 1 30 . 1 1 5 5 VAL H H 1 8.25 . . 1 . . . A 5 VAL H . 16719 1 31 . 1 1 5 5 VAL HA H 1 4.295 . . 1 . . . A 5 VAL HA . 16719 1 32 . 1 1 5 5 VAL HB H 1 2.009 . . 1 . . . A 5 VAL HB . 16719 1 33 . 1 1 5 5 VAL HG21 H 1 0.973 . . 2 . . . A 5 VAL HG21 . 16719 1 34 . 1 1 5 5 VAL HG22 H 1 0.973 . . 2 . . . A 5 VAL HG21 . 16719 1 35 . 1 1 5 5 VAL HG23 H 1 0.973 . . 2 . . . A 5 VAL HG21 . 16719 1 36 . 1 1 5 5 VAL C C 13 172.961 . . . . . . A 5 VAL C . 16719 1 37 . 1 1 5 5 VAL CA C 13 58.431 . . 1 . . . A 5 VAL CA . 16719 1 38 . 1 1 5 5 VAL CB C 13 31.565 . . 1 . . . A 5 VAL CB . 16719 1 39 . 1 1 5 5 VAL N N 15 122.749 . . 1 . . . A 5 VAL N . 16719 1 40 . 1 1 6 6 SER H H 1 8.891 . . 1 . . . A 6 SER H . 16719 1 41 . 1 1 6 6 SER HA H 1 4.45 . . 1 . . . A 6 SER HA . 16719 1 42 . 1 1 6 6 SER HB2 H 1 4.027 . . 2 . . . A 6 SER HB2 . 16719 1 43 . 1 1 6 6 SER C C 13 171.897 . . . . . . A 6 SER C . 16719 1 44 . 1 1 6 6 SER CA C 13 54.799 . . 1 . . . A 6 SER CA . 16719 1 45 . 1 1 6 6 SER CB C 13 62.529 . . 1 . . . A 6 SER CB . 16719 1 46 . 1 1 6 6 SER N N 15 125.406 . . 1 . . . A 6 SER N . 16719 1 47 . 1 1 7 7 ASP H H 1 9.04 . . 1 . . . A 7 ASP H . 16719 1 48 . 1 1 7 7 ASP HA H 1 4.364 . . 1 . . . A 7 ASP HA . 16719 1 49 . 1 1 7 7 ASP HB2 H 1 2.806 . . 2 . . . A 7 ASP HB2 . 16719 1 50 . 1 1 7 7 ASP HB3 H 1 2.599 . . 2 . . . A 7 ASP HB3 . 16719 1 51 . 1 1 7 7 ASP C C 13 175.496 . . . . . . A 7 ASP C . 16719 1 52 . 1 1 7 7 ASP CA C 13 55.35 . . 1 . . . A 7 ASP CA . 16719 1 53 . 1 1 7 7 ASP CB C 13 37.118 . . 1 . . . A 7 ASP CB . 16719 1 54 . 1 1 7 7 ASP N N 15 122.054 . . 1 . . . A 7 ASP N . 16719 1 55 . 1 1 8 8 GLU H H 1 8.851 . . 1 . . . A 8 GLU H . 16719 1 56 . 1 1 8 8 GLU HA H 1 3.905 . . 1 . . . A 8 GLU HA . 16719 1 57 . 1 1 8 8 GLU HB2 H 1 2.203 . . 2 . . . A 8 GLU HB2 . 16719 1 58 . 1 1 8 8 GLU HB3 H 1 1.995 . . 2 . . . A 8 GLU HB3 . 16719 1 59 . 1 1 8 8 GLU HG2 H 1 2.821 . . 2 . . . A 8 GLU HG2 . 16719 1 60 . 1 1 8 8 GLU C C 13 174.967 . . . . . . A 8 GLU C . 16719 1 61 . 1 1 8 8 GLU CA C 13 57.773 . . 1 . . . A 8 GLU CA . 16719 1 62 . 1 1 8 8 GLU CB C 13 26.131 . . 1 . . . A 8 GLU CB . 16719 1 63 . 1 1 8 8 GLU N N 15 117.915 . . 1 . . . A 8 GLU N . 16719 1 64 . 1 1 9 9 GLU H H 1 8.837 . . 1 . . . A 9 GLU H . 16719 1 65 . 1 1 9 9 GLU C C 13 176.121 . . . . . . A 9 GLU C . 16719 1 66 . 1 1 9 9 GLU CA C 13 57.855 . . 1 . . . A 9 GLU CA . 16719 1 67 . 1 1 9 9 GLU CB C 13 26.305 . . 1 . . . A 9 GLU CB . 16719 1 68 . 1 1 9 9 GLU N N 15 117.921 . . 1 . . . A 9 GLU N . 16719 1 69 . 1 1 10 10 TRP H H 1 8.042 . . 1 . . . A 10 TRP H . 16719 1 70 . 1 1 10 10 TRP HA H 1 4.689 . . 1 . . . A 10 TRP HA . 16719 1 71 . 1 1 10 10 TRP HB2 H 1 3.276 . . 2 . . . A 10 TRP HB2 . 16719 1 72 . 1 1 10 10 TRP HB3 H 1 3.02 . . 2 . . . A 10 TRP HB3 . 16719 1 73 . 1 1 10 10 TRP HE1 H 1 11.154 . . 1 . . . A 10 TRP HE1 . 16719 1 74 . 1 1 10 10 TRP C C 13 173.993 . . . . . . A 10 TRP C . 16719 1 75 . 1 1 10 10 TRP CA C 13 55.797 . . 1 . . . A 10 TRP CA . 16719 1 76 . 1 1 10 10 TRP CB C 13 28.233 . . 1 . . . A 10 TRP CB . 16719 1 77 . 1 1 10 10 TRP N N 15 121.529 . . 1 . . . A 10 TRP N . 16719 1 78 . 1 1 11 11 VAL H H 1 8.355 . . 1 . . . A 11 VAL H . 16719 1 79 . 1 1 11 11 VAL HA H 1 3.169 . . 1 . . . A 11 VAL HA . 16719 1 80 . 1 1 11 11 VAL HB H 1 1.994 . . 1 . . . A 11 VAL HB . 16719 1 81 . 1 1 11 11 VAL HG11 H 1 0.997 . . 2 . . . A 11 VAL HG11 . 16719 1 82 . 1 1 11 11 VAL HG12 H 1 0.997 . . 2 . . . A 11 VAL HG11 . 16719 1 83 . 1 1 11 11 VAL HG13 H 1 0.997 . . 2 . . . A 11 VAL HG11 . 16719 1 84 . 1 1 11 11 VAL HG21 H 1 0.819 . . 2 . . . A 11 VAL HG22 . 16719 1 85 . 1 1 11 11 VAL HG22 H 1 0.819 . . 2 . . . A 11 VAL HG22 . 16719 1 86 . 1 1 11 11 VAL HG23 H 1 0.819 . . 2 . . . A 11 VAL HG22 . 16719 1 87 . 1 1 11 11 VAL C C 13 176.501 . . . . . . A 11 VAL C . 16719 1 88 . 1 1 11 11 VAL CA C 13 64.245 . . 1 . . . A 11 VAL CA . 16719 1 89 . 1 1 11 11 VAL CB C 13 28.977 . . 1 . . . A 11 VAL CB . 16719 1 90 . 1 1 11 11 VAL N N 15 117.217 . . 1 . . . A 11 VAL N . 16719 1 91 . 1 1 12 12 GLU H H 1 7.983 . . 1 . . . A 12 GLU H . 16719 1 92 . 1 1 12 12 GLU HA H 1 3.912 . . 1 . . . A 12 GLU HA . 16719 1 93 . 1 1 12 12 GLU HB2 H 1 1.972 . . 2 . . . A 12 GLU HB2 . 16719 1 94 . 1 1 12 12 GLU HB3 H 1 1.992 . . 2 . . . A 12 GLU HB3 . 16719 1 95 . 1 1 12 12 GLU HG2 H 1 2.253 . . 2 . . . A 12 GLU HG2 . 16719 1 96 . 1 1 12 12 GLU C C 13 174.74 . . . . . . A 12 GLU C . 16719 1 97 . 1 1 12 12 GLU CA C 13 56.79 . . 1 . . . A 12 GLU CA . 16719 1 98 . 1 1 12 12 GLU CB C 13 26.522 . . 1 . . . A 12 GLU CB . 16719 1 99 . 1 1 12 12 GLU N N 15 120.691 . . 1 . . . A 12 GLU N . 16719 1 100 . 1 1 13 13 TYR H H 1 8.124 . . 1 . . . A 13 TYR H . 16719 1 101 . 1 1 13 13 TYR HA H 1 3.947 . . 1 . . . A 13 TYR HA . 16719 1 102 . 1 1 13 13 TYR HB2 H 1 3.027 . . 2 . . . A 13 TYR HB2 . 16719 1 103 . 1 1 13 13 TYR HB3 H 1 2.785 . . 2 . . . A 13 TYR HB3 . 16719 1 104 . 1 1 13 13 TYR C C 13 173.661 . . . . . . A 13 TYR C . 16719 1 105 . 1 1 13 13 TYR CA C 13 59.082 . . 1 . . . A 13 TYR CA . 16719 1 106 . 1 1 13 13 TYR CB C 13 35.037 . . 1 . . . A 13 TYR CB . 16719 1 107 . 1 1 13 13 TYR N N 15 122.373 . . 1 . . . A 13 TYR N . 16719 1 108 . 1 1 14 14 LYS H H 1 7.61 . . 1 . . . A 14 LYS H . 16719 1 109 . 1 1 14 14 LYS HA H 1 3.146 . . 1 . . . A 14 LYS HA . 16719 1 110 . 1 1 14 14 LYS HG2 H 1 1.541 . . 2 . . . A 14 LYS HG2 . 16719 1 111 . 1 1 14 14 LYS C C 13 176.627 . . . . . . A 14 LYS C . 16719 1 112 . 1 1 14 14 LYS CA C 13 57.99 . . 1 . . . A 14 LYS CA . 16719 1 113 . 1 1 14 14 LYS CB C 13 28.084 . . 1 . . . A 14 LYS CB . 16719 1 114 . 1 1 14 14 LYS N N 15 116.064 . . 1 . . . A 14 LYS N . 16719 1 115 . 1 1 15 15 SER H H 1 7.854 . . 1 . . . A 15 SER H . 16719 1 116 . 1 1 15 15 SER HA H 1 3.979 . . 1 . . . A 15 SER HA . 16719 1 117 . 1 1 15 15 SER HB2 H 1 3.755 . . 2 . . . A 15 SER HB2 . 16719 1 118 . 1 1 15 15 SER C C 13 172.084 . . . . . . A 15 SER C . 16719 1 119 . 1 1 15 15 SER CA C 13 58.067 . . 1 . . . A 15 SER CA . 16719 1 120 . 1 1 15 15 SER CB C 13 60.2 . . 1 . . . A 15 SER CB . 16719 1 121 . 1 1 15 15 SER N N 15 112.051 . . 1 . . . A 15 SER N . 16719 1 122 . 1 1 16 16 LYS H H 1 7.922 . . 1 . . . A 16 LYS H . 16719 1 123 . 1 1 16 16 LYS HA H 1 3.585 . . 1 . . . A 16 LYS HA . 16719 1 124 . 1 1 16 16 LYS HB2 H 1 1.392 . . 2 . . . A 16 LYS HB2 . 16719 1 125 . 1 1 16 16 LYS HB3 H 1 1.032 . . 2 . . . A 16 LYS HB3 . 16719 1 126 . 1 1 16 16 LYS HG2 H 1 0.895 . . 2 . . . A 16 LYS HG2 . 16719 1 127 . 1 1 16 16 LYS HG3 H 1 0.266 . . 2 . . . A 16 LYS HG3 . 16719 1 128 . 1 1 16 16 LYS C C 13 174.969 . . . . . . A 16 LYS C . 16719 1 129 . 1 1 16 16 LYS CA C 13 56.081 . . 1 . . . A 16 LYS CA . 16719 1 130 . 1 1 16 16 LYS CB C 13 29.207 . . 1 . . . A 16 LYS CB . 16719 1 131 . 1 1 16 16 LYS N N 15 122.12 . . 1 . . . A 16 LYS N . 16719 1 132 . 1 1 17 17 PHE H H 1 6.821 . . 1 . . . A 17 PHE H . 16719 1 133 . 1 1 17 17 PHE HA H 1 4.629 . . 1 . . . A 17 PHE HA . 16719 1 134 . 1 1 17 17 PHE HB2 H 1 3.285 . . 2 . . . A 17 PHE HB2 . 16719 1 135 . 1 1 17 17 PHE HB3 H 1 1.739 . . 2 . . . A 17 PHE HB3 . 16719 1 136 . 1 1 17 17 PHE HD2 H 1 6.526 . . 3 . . . A 17 PHE HD2 . 16719 1 137 . 1 1 17 17 PHE C C 13 170.543 . . . . . . A 17 PHE C . 16719 1 138 . 1 1 17 17 PHE CA C 13 54.4 . . 1 . . . A 17 PHE CA . 16719 1 139 . 1 1 17 17 PHE CB C 13 36.273 . . 1 . . . A 17 PHE CB . 16719 1 140 . 1 1 17 17 PHE N N 15 112.552 . . 1 . . . A 17 PHE N . 16719 1 141 . 1 1 18 18 ASP H H 1 7.31 . . 1 . . . A 18 ASP H . 16719 1 142 . 1 1 18 18 ASP HA H 1 4.067 . . 1 . . . A 18 ASP HA . 16719 1 143 . 1 1 18 18 ASP HB2 H 1 2.866 . . 2 . . . A 18 ASP HB2 . 16719 1 144 . 1 1 18 18 ASP HB3 H 1 2.316 . . 2 . . . A 18 ASP HB3 . 16719 1 145 . 1 1 18 18 ASP C C 13 171.81 . . . . . . A 18 ASP C . 16719 1 146 . 1 1 18 18 ASP CA C 13 52.587 . . 1 . . . A 18 ASP CA . 16719 1 147 . 1 1 18 18 ASP CB C 13 36.581 . . 1 . . . A 18 ASP CB . 16719 1 148 . 1 1 18 18 ASP N N 15 119.123 . . 1 . . . A 18 ASP N . 16719 1 149 . 1 1 19 19 LYS H H 1 8.3 . . 1 . . . A 19 LYS H . 16719 1 150 . 1 1 19 19 LYS HA H 1 4.04 . . 1 . . . A 19 LYS HA . 16719 1 151 . 1 1 19 19 LYS HB2 H 1 1.355 . . 2 . . . A 19 LYS HB2 . 16719 1 152 . 1 1 19 19 LYS HB3 H 1 1.159 . . 2 . . . A 19 LYS HB3 . 16719 1 153 . 1 1 19 19 LYS HG2 H 1 1.019 . . 2 . . . A 19 LYS HG2 . 16719 1 154 . 1 1 19 19 LYS HG3 H 1 0.906 . . 2 . . . A 19 LYS HG3 . 16719 1 155 . 1 1 19 19 LYS C C 13 172.367 . . . . . . A 19 LYS C . 16719 1 156 . 1 1 19 19 LYS CA C 13 52.254 . . 1 . . . A 19 LYS CA . 16719 1 157 . 1 1 19 19 LYS CB C 13 31.792 . . 1 . . . A 19 LYS CB . 16719 1 158 . 1 1 19 19 LYS N N 15 118.52 . . 1 . . . A 19 LYS N . 16719 1 159 . 1 1 20 20 ASN H H 1 7.836 . . 1 . . . A 20 ASN H . 16719 1 160 . 1 1 20 20 ASN HA H 1 4.375 . . 1 . . . A 20 ASN HA . 16719 1 161 . 1 1 20 20 ASN HB2 H 1 2.338 . . 2 . . . A 20 ASN HB2 . 16719 1 162 . 1 1 20 20 ASN C C 13 169.867 . . . . . . A 20 ASN C . 16719 1 163 . 1 1 20 20 ASN CA C 13 53.883 . . 1 . . . A 20 ASN CA . 16719 1 164 . 1 1 20 20 ASN CB C 13 32.249 . . 1 . . . A 20 ASN CB . 16719 1 165 . 1 1 20 20 ASN N N 15 120.745 . . 1 . . . A 20 ASN N . 16719 1 166 . 1 1 21 21 TYR H H 1 7.984 . . 1 . . . A 21 TYR H . 16719 1 167 . 1 1 21 21 TYR HA H 1 5.186 . . 1 . . . A 21 TYR HA . 16719 1 168 . 1 1 21 21 TYR HB2 H 1 3.122 . . 2 . . . A 21 TYR HB2 . 16719 1 169 . 1 1 21 21 TYR HB3 H 1 2.817 . . 2 . . . A 21 TYR HB3 . 16719 1 170 . 1 1 21 21 TYR HD1 H 1 7.245 . . 3 . . . A 21 TYR HD1 . 16719 1 171 . 1 1 21 21 TYR HE1 H 1 6.817 . . 3 . . . A 21 TYR HE1 . 16719 1 172 . 1 1 21 21 TYR C C 13 173.958 . . . . . . A 21 TYR C . 16719 1 173 . 1 1 21 21 TYR CA C 13 52.091 . . 1 . . . A 21 TYR CA . 16719 1 174 . 1 1 21 21 TYR CB C 13 39.356 . . 1 . . . A 21 TYR CB . 16719 1 175 . 1 1 21 21 TYR N N 15 122.09 . . 1 . . . A 21 TYR N . 16719 1 176 . 1 1 22 22 GLU H H 1 9.056 . . 1 . . . A 22 GLU H . 16719 1 177 . 1 1 22 22 GLU HA H 1 4.375 . . 1 . . . A 22 GLU HA . 16719 1 178 . 1 1 22 22 GLU HB2 H 1 2.286 . . 2 . . . A 22 GLU HB2 . 16719 1 179 . 1 1 22 22 GLU HB3 H 1 2.069 . . 2 . . . A 22 GLU HB3 . 16719 1 180 . 1 1 22 22 GLU HG2 H 1 2.421 . . 2 . . . A 22 GLU HG2 . 16719 1 181 . 1 1 22 22 GLU C C 13 173.757 . . . . . . A 22 GLU C . 16719 1 182 . 1 1 22 22 GLU CA C 13 53.21 . . 1 . . . A 22 GLU CA . 16719 1 183 . 1 1 22 22 GLU CB C 13 27.582 . . 1 . . . A 22 GLU CB . 16719 1 184 . 1 1 22 22 GLU N N 15 122.418 . . 1 . . . A 22 GLU N . 16719 1 185 . 1 1 23 23 ALA H H 1 8.51 . . 1 . . . A 23 ALA H . 16719 1 186 . 1 1 23 23 ALA HA H 1 3.992 . . 1 . . . A 23 ALA HA . 16719 1 187 . 1 1 23 23 ALA HB1 H 1 1.442 . . 1 . . . A 23 ALA HB1 . 16719 1 188 . 1 1 23 23 ALA HB2 H 1 1.442 . . 1 . . . A 23 ALA HB1 . 16719 1 189 . 1 1 23 23 ALA HB3 H 1 1.442 . . 1 . . . A 23 ALA HB1 . 16719 1 190 . 1 1 23 23 ALA C C 13 176.804 . . . . . . A 23 ALA C . 16719 1 191 . 1 1 23 23 ALA CA C 13 53.811 . . 1 . . . A 23 ALA CA . 16719 1 192 . 1 1 23 23 ALA CB C 13 16.271 . . 1 . . . A 23 ALA CB . 16719 1 193 . 1 1 23 23 ALA N N 15 122.274 . . 1 . . . A 23 ALA N . 16719 1 194 . 1 1 24 24 GLU H H 1 8.658 . . 1 . . . A 24 GLU H . 16719 1 195 . 1 1 24 24 GLU HA H 1 4.003 . . 1 . . . A 24 GLU HA . 16719 1 196 . 1 1 24 24 GLU HB2 H 1 2.035 . . 2 . . . A 24 GLU HB2 . 16719 1 197 . 1 1 24 24 GLU HG2 H 1 2.279 . . 2 . . . A 24 GLU HG2 . 16719 1 198 . 1 1 24 24 GLU C C 13 176.534 . . . . . . A 24 GLU C . 16719 1 199 . 1 1 24 24 GLU CA C 13 57.394 . . 1 . . . A 24 GLU CA . 16719 1 200 . 1 1 24 24 GLU CB C 13 26.136 . . 1 . . . A 24 GLU CB . 16719 1 201 . 1 1 24 24 GLU N N 15 117.698 . . 1 . . . A 24 GLU N . 16719 1 202 . 1 1 25 25 GLU H H 1 7.968 . . 1 . . . A 25 GLU H . 16719 1 203 . 1 1 25 25 GLU HA H 1 4 . . 1 . . . A 25 GLU HA . 16719 1 204 . 1 1 25 25 GLU HB3 H 1 1.957 . . 2 . . . A 25 GLU HB3 . 16719 1 205 . 1 1 25 25 GLU HG2 H 1 2.11 . . 2 . . . A 25 GLU HG2 . 16719 1 206 . 1 1 25 25 GLU C C 13 174.937 . . . . . . A 25 GLU C . 16719 1 207 . 1 1 25 25 GLU CA C 13 56.268 . . 1 . . . A 25 GLU CA . 16719 1 208 . 1 1 25 25 GLU CB C 13 26.904 . . 1 . . . A 25 GLU CB . 16719 1 209 . 1 1 25 25 GLU N N 15 121.995 . . 1 . . . A 25 GLU N . 16719 1 210 . 1 1 26 26 ASP H H 1 8.68 . . 1 . . . A 26 ASP H . 16719 1 211 . 1 1 26 26 ASP HA H 1 4.228 . . 1 . . . A 26 ASP HA . 16719 1 212 . 1 1 26 26 ASP HB2 H 1 2.663 . . 2 . . . A 26 ASP HB2 . 16719 1 213 . 1 1 26 26 ASP C C 13 174.439 . . . . . . A 26 ASP C . 16719 1 214 . 1 1 26 26 ASP CA C 13 56.126 . . 1 . . . A 26 ASP CA . 16719 1 215 . 1 1 26 26 ASP CB C 13 40.529 . . 1 . . . A 26 ASP CB . 16719 1 216 . 1 1 26 26 ASP N N 15 119.105 . . 1 . . . A 26 ASP N . 16719 1 217 . 1 1 27 27 LEU H H 1 7.11 . . 1 . . . A 27 LEU H . 16719 1 218 . 1 1 27 27 LEU HA H 1 3.832 . . 1 . . . A 27 LEU HA . 16719 1 219 . 1 1 27 27 LEU HB2 H 1 1.729 . . 2 . . . A 27 LEU HB2 . 16719 1 220 . 1 1 27 27 LEU HG H 1 1.477 . . 1 . . . A 27 LEU HG . 16719 1 221 . 1 1 27 27 LEU HD11 H 1 0.843 . . 2 . . . A 27 LEU HD11 . 16719 1 222 . 1 1 27 27 LEU HD12 H 1 0.843 . . 2 . . . A 27 LEU HD11 . 16719 1 223 . 1 1 27 27 LEU HD13 H 1 0.843 . . 2 . . . A 27 LEU HD11 . 16719 1 224 . 1 1 27 27 LEU C C 13 176.845 . . . . . . A 27 LEU C . 16719 1 225 . 1 1 27 27 LEU CA C 13 55.053 . . 1 . . . A 27 LEU CA . 16719 1 226 . 1 1 27 27 LEU CB C 13 39.474 . . 1 . . . A 27 LEU CB . 16719 1 227 . 1 1 27 27 LEU N N 15 114.737 . . 1 . . . A 27 LEU N . 16719 1 228 . 1 1 28 28 MET H H 1 7.145 . . 1 . . . A 28 MET H . 16719 1 229 . 1 1 28 28 MET HA H 1 3.895 . . 1 . . . A 28 MET HA . 16719 1 230 . 1 1 28 28 MET HB2 H 1 2.223 . . 2 . . . A 28 MET HB2 . 16719 1 231 . 1 1 28 28 MET HG2 H 1 2.653 . . 2 . . . A 28 MET HG2 . 16719 1 232 . 1 1 28 28 MET C C 13 175.695 . . . . . . A 28 MET C . 16719 1 233 . 1 1 28 28 MET CA C 13 56.022 . . 1 . . . A 28 MET CA . 16719 1 234 . 1 1 28 28 MET CB C 13 29.655 . . 1 . . . A 28 MET CB . 16719 1 235 . 1 1 28 28 MET N N 15 119.48 . . 1 . . . A 28 MET N . 16719 1 236 . 1 1 29 29 ARG H H 1 8.665 . . 1 . . . A 29 ARG H . 16719 1 237 . 1 1 29 29 ARG HA H 1 3.863 . . 1 . . . A 29 ARG HA . 16719 1 238 . 1 1 29 29 ARG HB2 H 1 2.273 . . 2 . . . A 29 ARG HB2 . 16719 1 239 . 1 1 29 29 ARG HG2 H 1 2.063 . . 2 . . . A 29 ARG HG2 . 16719 1 240 . 1 1 29 29 ARG HG3 H 1 1.975 . . 2 . . . A 29 ARG HG3 . 16719 1 241 . 1 1 29 29 ARG C C 13 174.294 . . . . . . A 29 ARG C . 16719 1 242 . 1 1 29 29 ARG CA C 13 55.242 . . 1 . . . A 29 ARG CA . 16719 1 243 . 1 1 29 29 ARG CB C 13 26.15 . . 1 . . . A 29 ARG CB . 16719 1 244 . 1 1 29 29 ARG N N 15 120.534 . . 1 . . . A 29 ARG N . 16719 1 245 . 1 1 30 30 ARG H H 1 8.074 . . 1 . . . A 30 ARG H . 16719 1 246 . 1 1 30 30 ARG HA H 1 4.012 . . 1 . . . A 30 ARG HA . 16719 1 247 . 1 1 30 30 ARG HB2 H 1 2.057 . . 2 . . . A 30 ARG HB2 . 16719 1 248 . 1 1 30 30 ARG HG2 H 1 1.399 . . 2 . . . A 30 ARG HG2 . 16719 1 249 . 1 1 30 30 ARG HG3 H 1 1.148 . . 2 . . . A 30 ARG HG3 . 16719 1 250 . 1 1 30 30 ARG C C 13 175.43 . . . . . . A 30 ARG C . 16719 1 251 . 1 1 30 30 ARG CA C 13 55.748 . . 1 . . . A 30 ARG CA . 16719 1 252 . 1 1 30 30 ARG CB C 13 27.422 . . 1 . . . A 30 ARG CB . 16719 1 253 . 1 1 30 30 ARG N N 15 121.838 . . 1 . . . A 30 ARG N . 16719 1 254 . 1 1 31 31 ARG H H 1 7.058 . . 1 . . . A 31 ARG H . 16719 1 255 . 1 1 31 31 ARG HA H 1 3.89 . . 1 . . . A 31 ARG HA . 16719 1 256 . 1 1 31 31 ARG HB2 H 1 1.826 . . 2 . . . A 31 ARG HB2 . 16719 1 257 . 1 1 31 31 ARG HG2 H 1 1.68 . . 2 . . . A 31 ARG HG2 . 16719 1 258 . 1 1 31 31 ARG HG3 H 1 1.795 . . 2 . . . A 31 ARG HG3 . 16719 1 259 . 1 1 31 31 ARG C C 13 176.155 . . . . . . A 31 ARG C . 16719 1 260 . 1 1 31 31 ARG CA C 13 56.729 . . 1 . . . A 31 ARG CA . 16719 1 261 . 1 1 31 31 ARG CB C 13 27.007 . . 1 . . . A 31 ARG CB . 16719 1 262 . 1 1 31 31 ARG N N 15 118.282 . . 1 . . . A 31 ARG N . 16719 1 263 . 1 1 32 32 ILE H H 1 7.609 . . 1 . . . A 32 ILE H . 16719 1 264 . 1 1 32 32 ILE HA H 1 3.569 . . 1 . . . A 32 ILE HA . 16719 1 265 . 1 1 32 32 ILE HB H 1 1.775 . . 1 . . . A 32 ILE HB . 16719 1 266 . 1 1 32 32 ILE HG12 H 1 1.375 . . 2 . . . A 32 ILE HG12 . 16719 1 267 . 1 1 32 32 ILE HG13 H 1 1.375 . . 2 . . . A 32 ILE HG12 . 16719 1 268 . 1 1 32 32 ILE HG21 H 1 0.804 . . . . . . A 32 ILE HG21 . 16719 1 269 . 1 1 32 32 ILE HG22 H 1 0.804 . . . . . . A 32 ILE HG22 . 16719 1 270 . 1 1 32 32 ILE HG23 H 1 0.804 . . . . . . A 32 ILE HG23 . 16719 1 271 . 1 1 32 32 ILE HD11 H 1 0.807 . . 1 . . . A 32 ILE HD11 . 16719 1 272 . 1 1 32 32 ILE HD12 H 1 0.807 . . 1 . . . A 32 ILE HD11 . 16719 1 273 . 1 1 32 32 ILE HD13 H 1 0.807 . . 1 . . . A 32 ILE HD11 . 16719 1 274 . 1 1 32 32 ILE C C 13 175.79 . . . . . . A 32 ILE C . 16719 1 275 . 1 1 32 32 ILE CA C 13 63.033 . . 1 . . . A 32 ILE CA . 16719 1 276 . 1 1 32 32 ILE CB C 13 35.222 . . 1 . . . A 32 ILE CB . 16719 1 277 . 1 1 32 32 ILE N N 15 121.431 . . 1 . . . A 32 ILE N . 16719 1 278 . 1 1 33 33 TYR H H 1 8.606 . . 1 . . . A 33 TYR H . 16719 1 279 . 1 1 33 33 TYR HA H 1 3.876 . . 1 . . . A 33 TYR HA . 16719 1 280 . 1 1 33 33 TYR HB3 H 1 2.842 . . 2 . . . A 33 TYR HB3 . 16719 1 281 . 1 1 33 33 TYR HD1 H 1 6.347 . . 3 . . . A 33 TYR HD1 . 16719 1 282 . 1 1 33 33 TYR HE1 H 1 6.273 . . 3 . . . A 33 TYR HE1 . 16719 1 283 . 1 1 33 33 TYR C C 13 174.084 . . . . . . A 33 TYR C . 16719 1 284 . 1 1 33 33 TYR CA C 13 58.969 . . 1 . . . A 33 TYR CA . 16719 1 285 . 1 1 33 33 TYR CB C 13 37.059 . . 1 . . . A 33 TYR CB . 16719 1 286 . 1 1 33 33 TYR N N 15 120.987 . . 1 . . . A 33 TYR N . 16719 1 287 . 1 1 34 34 ALA H H 1 8.261 . . 1 . . . A 34 ALA H . 16719 1 288 . 1 1 34 34 ALA HA H 1 3.546 . . 1 . . . A 34 ALA HA . 16719 1 289 . 1 1 34 34 ALA HB1 H 1 1.452 . . 1 . . . A 34 ALA HB1 . 16719 1 290 . 1 1 34 34 ALA HB2 H 1 1.452 . . 1 . . . A 34 ALA HB1 . 16719 1 291 . 1 1 34 34 ALA HB3 H 1 1.452 . . 1 . . . A 34 ALA HB1 . 16719 1 292 . 1 1 34 34 ALA C C 13 178.217 . . . . . . A 34 ALA C . 16719 1 293 . 1 1 34 34 ALA CA C 13 52.622 . . 1 . . . A 34 ALA CA . 16719 1 294 . 1 1 34 34 ALA CB C 13 15.665 . . 1 . . . A 34 ALA CB . 16719 1 295 . 1 1 34 34 ALA N N 15 120.812 . . 1 . . . A 34 ALA N . 16719 1 296 . 1 1 35 35 GLU H H 1 7.863 . . 1 . . . A 35 GLU H . 16719 1 297 . 1 1 35 35 GLU HA H 1 4.121 . . 1 . . . A 35 GLU HA . 16719 1 298 . 1 1 35 35 GLU HB2 H 1 2.16 . . 2 . . . A 35 GLU HB2 . 16719 1 299 . 1 1 35 35 GLU HG2 H 1 2.426 . . 2 . . . A 35 GLU HG2 . 16719 1 300 . 1 1 35 35 GLU C C 13 177.006 . . . . . . A 35 GLU C . 16719 1 301 . 1 1 35 35 GLU CA C 13 56.631 . . 1 . . . A 35 GLU CA . 16719 1 302 . 1 1 35 35 GLU CB C 13 26.509 . . 1 . . . A 35 GLU CB . 16719 1 303 . 1 1 35 35 GLU N N 15 120.541 . . 1 . . . A 35 GLU N . 16719 1 304 . 1 1 36 36 SER H H 1 8.908 . . 1 . . . A 36 SER H . 16719 1 305 . 1 1 36 36 SER HA H 1 4.069 . . 1 . . . A 36 SER HA . 16719 1 306 . 1 1 36 36 SER HB2 H 1 3.481 . . 2 . . . A 36 SER HB2 . 16719 1 307 . 1 1 36 36 SER C C 13 173.28 . . . . . . A 36 SER C . 16719 1 308 . 1 1 36 36 SER CA C 13 59.291 . . 1 . . . A 36 SER CA . 16719 1 309 . 1 1 36 36 SER CB C 13 59.655 . . 1 . . . A 36 SER CB . 16719 1 310 . 1 1 36 36 SER N N 15 120.149 . . 1 . . . A 36 SER N . 16719 1 311 . 1 1 37 37 LYS H H 1 8.908 . . 1 . . . A 37 LYS H . 16719 1 312 . 1 1 37 37 LYS HA H 1 4.075 . . 1 . . . A 37 LYS HA . 16719 1 313 . 1 1 37 37 LYS HG2 H 1 1.521 . . 2 . . . A 37 LYS HG2 . 16719 1 314 . 1 1 37 37 LYS HD2 H 1 1.103 . . 2 . . . A 37 LYS HD2 . 16719 1 315 . 1 1 37 37 LYS HD3 H 1 1.103 . . 2 . . . A 37 LYS HD2 . 16719 1 316 . 1 1 37 37 LYS C C 13 175.024 . . . . . . A 37 LYS C . 16719 1 317 . 1 1 37 37 LYS CA C 13 57.285 . . 1 . . . A 37 LYS CA . 16719 1 318 . 1 1 37 37 LYS CB C 13 38.785 . . 1 . . . A 37 LYS CB . 16719 1 319 . 1 1 37 37 LYS N N 15 122.509 . . 1 . . . A 37 LYS N . 16719 1 320 . 1 1 38 38 ALA H H 1 7.383 . . 1 . . . A 38 ALA H . 16719 1 321 . 1 1 38 38 ALA HA H 1 4.028 . . 1 . . . A 38 ALA HA . 16719 1 322 . 1 1 38 38 ALA HB1 H 1 1.414 . . 1 . . . A 38 ALA HB1 . 16719 1 323 . 1 1 38 38 ALA HB2 H 1 1.414 . . 1 . . . A 38 ALA HB1 . 16719 1 324 . 1 1 38 38 ALA HB3 H 1 1.414 . . 1 . . . A 38 ALA HB1 . 16719 1 325 . 1 1 38 38 ALA C C 13 177.951 . . . . . . A 38 ALA C . 16719 1 326 . 1 1 38 38 ALA CA C 13 52.596 . . 1 . . . A 38 ALA CA . 16719 1 327 . 1 1 38 38 ALA CB C 13 15.254 . . 1 . . . A 38 ALA CB . 16719 1 328 . 1 1 38 38 ALA N N 15 120.307 . . 1 . . . A 38 ALA N . 16719 1 329 . 1 1 39 39 ARG H H 1 7.655 . . 1 . . . A 39 ARG H . 16719 1 330 . 1 1 39 39 ARG HA H 1 4.007 . . 1 . . . A 39 ARG HA . 16719 1 331 . 1 1 39 39 ARG HB2 H 1 1.892 . . 2 . . . A 39 ARG HB2 . 16719 1 332 . 1 1 39 39 ARG HG2 H 1 1.402 . . 2 . . . A 39 ARG HG2 . 16719 1 333 . 1 1 39 39 ARG C C 13 176.899 . . . . . . A 39 ARG C . 16719 1 334 . 1 1 39 39 ARG CA C 13 56.816 . . 1 . . . A 39 ARG CA . 16719 1 335 . 1 1 39 39 ARG CB C 13 27.63 . . 1 . . . A 39 ARG CB . 16719 1 336 . 1 1 39 39 ARG N N 15 119.529 . . 1 . . . A 39 ARG N . 16719 1 337 . 1 1 40 40 ILE H H 1 8.365 . . 1 . . . A 40 ILE H . 16719 1 338 . 1 1 40 40 ILE HA H 1 3.638 . . 1 . . . A 40 ILE HA . 16719 1 339 . 1 1 40 40 ILE HB H 1 1.697 . . 1 . . . A 40 ILE HB . 16719 1 340 . 1 1 40 40 ILE HG12 H 1 2.229 . . 2 . . . A 40 ILE HG12 . 16719 1 341 . 1 1 40 40 ILE HD11 H 1 0.576 . . 1 . . . A 40 ILE HD11 . 16719 1 342 . 1 1 40 40 ILE HD12 H 1 0.576 . . 1 . . . A 40 ILE HD11 . 16719 1 343 . 1 1 40 40 ILE HD13 H 1 0.576 . . 1 . . . A 40 ILE HD11 . 16719 1 344 . 1 1 40 40 ILE C C 13 174.773 . . . . . . A 40 ILE C . 16719 1 345 . 1 1 40 40 ILE CA C 13 62.666 . . 1 . . . A 40 ILE CA . 16719 1 346 . 1 1 40 40 ILE CB C 13 36.046 . . 1 . . . A 40 ILE CB . 16719 1 347 . 1 1 40 40 ILE N N 15 123.276 . . 1 . . . A 40 ILE N . 16719 1 348 . 1 1 41 41 GLU H H 1 8.471 . . 1 . . . A 41 GLU H . 16719 1 349 . 1 1 41 41 GLU HA H 1 3.921 . . 1 . . . A 41 GLU HA . 16719 1 350 . 1 1 41 41 GLU C C 13 177.134 . . . . . . A 41 GLU C . 16719 1 351 . 1 1 41 41 GLU CA C 13 56.964 . . 1 . . . A 41 GLU CA . 16719 1 352 . 1 1 41 41 GLU CB C 13 26.453 . . 1 . . . A 41 GLU CB . 16719 1 353 . 1 1 41 41 GLU N N 15 118.987 . . 1 . . . A 41 GLU N . 16719 1 354 . 1 1 42 42 GLU H H 1 7.809 . . 1 . . . A 42 GLU H . 16719 1 355 . 1 1 42 42 GLU HA H 1 4.027 . . 1 . . . A 42 GLU HA . 16719 1 356 . 1 1 42 42 GLU HB2 H 1 2.036 . . 2 . . . A 42 GLU HB2 . 16719 1 357 . 1 1 42 42 GLU HB3 H 1 2.037 . . 2 . . . A 42 GLU HB3 . 16719 1 358 . 1 1 42 42 GLU HG2 H 1 2.198 . . 2 . . . A 42 GLU HG2 . 16719 1 359 . 1 1 42 42 GLU C C 13 175.941 . . . . . . A 42 GLU C . 16719 1 360 . 1 1 42 42 GLU CA C 13 56.427 . . 1 . . . A 42 GLU CA . 16719 1 361 . 1 1 42 42 GLU CB C 13 26.624 . . 1 . . . A 42 GLU CB . 16719 1 362 . 1 1 42 42 GLU N N 15 119.497 . . 1 . . . A 42 GLU N . 16719 1 363 . 1 1 43 43 HIS H H 1 8.053 . . 1 . . . A 43 HIS H . 16719 1 364 . 1 1 43 43 HIS HA H 1 3.835 . . 1 . . . A 43 HIS HA . 16719 1 365 . 1 1 43 43 HIS HB2 H 1 3.201 . . 2 . . . A 43 HIS HB2 . 16719 1 366 . 1 1 43 43 HIS HB3 H 1 3.037 . . 2 . . . A 43 HIS HB3 . 16719 1 367 . 1 1 43 43 HIS C C 13 175.215 . . . . . . A 43 HIS C . 16719 1 368 . 1 1 43 43 HIS CA C 13 58.199 . . 1 . . . A 43 HIS CA . 16719 1 369 . 1 1 43 43 HIS CB C 13 28.94 . . 1 . . . A 43 HIS CB . 16719 1 370 . 1 1 43 43 HIS N N 15 120.921 . . 1 . . . A 43 HIS N . 16719 1 371 . 1 1 44 44 ASN H H 1 8.781 . . 1 . . . A 44 ASN H . 16719 1 372 . 1 1 44 44 ASN HA H 1 4.606 . . 1 . . . A 44 ASN HA . 16719 1 373 . 1 1 44 44 ASN HB2 H 1 2.88 . . 2 . . . A 44 ASN HB2 . 16719 1 374 . 1 1 44 44 ASN HB3 H 1 2.916 . . 2 . . . A 44 ASN HB3 . 16719 1 375 . 1 1 44 44 ASN HD21 H 1 7.479 . . 2 . . . A 44 ASN HD21 . 16719 1 376 . 1 1 44 44 ASN C C 13 176.224 . . . . . . A 44 ASN C . 16719 1 377 . 1 1 44 44 ASN CA C 13 52.539 . . 1 . . . A 44 ASN CA . 16719 1 378 . 1 1 44 44 ASN CB C 13 33.556 . . 1 . . . A 44 ASN CB . 16719 1 379 . 1 1 44 44 ASN N N 15 117.984 . . 1 . . . A 44 ASN N . 16719 1 380 . 1 1 45 45 ARG H H 1 8.037 . . 1 . . . A 45 ARG H . 16719 1 381 . 1 1 45 45 ARG HA H 1 4.122 . . 1 . . . A 45 ARG HA . 16719 1 382 . 1 1 45 45 ARG HB2 H 1 1.961 . . 2 . . . A 45 ARG HB2 . 16719 1 383 . 1 1 45 45 ARG HB3 H 1 1.788 . . 2 . . . A 45 ARG HB3 . 16719 1 384 . 1 1 45 45 ARG HG2 H 1 1.547 . . 2 . . . A 45 ARG HG2 . 16719 1 385 . 1 1 45 45 ARG C C 13 176.94 . . . . . . A 45 ARG C . 16719 1 386 . 1 1 45 45 ARG CA C 13 57.217 . . 1 . . . A 45 ARG CA . 16719 1 387 . 1 1 45 45 ARG CB C 13 27.453 . . 1 . . . A 45 ARG CB . 16719 1 388 . 1 1 45 45 ARG N N 15 123.737 . . 1 . . . A 45 ARG N . 16719 1 389 . 1 1 46 46 LYS H H 1 7.428 . . 1 . . . A 46 LYS H . 16719 1 390 . 1 1 46 46 LYS HA H 1 3.817 . . 1 . . . A 46 LYS HA . 16719 1 391 . 1 1 46 46 LYS HB2 H 1 1.811 . . 2 . . . A 46 LYS HB2 . 16719 1 392 . 1 1 46 46 LYS HB3 H 1 1.811 . . 2 . . . A 46 LYS HB2 . 16719 1 393 . 1 1 46 46 LYS HG3 H 1 1.412 . . 2 . . . A 46 LYS HG3 . 16719 1 394 . 1 1 46 46 LYS C C 13 173.416 . . . . . . A 46 LYS C . 16719 1 395 . 1 1 46 46 LYS CA C 13 57.289 . . 1 . . . A 46 LYS CA . 16719 1 396 . 1 1 46 46 LYS CB C 13 29.351 . . 1 . . . A 46 LYS CB . 16719 1 397 . 1 1 46 46 LYS N N 15 119.702 . . 1 . . . A 46 LYS N . 16719 1 398 . 1 1 47 47 PHE H H 1 8.24 . . 1 . . . A 47 PHE H . 16719 1 399 . 1 1 47 47 PHE HA H 1 4.693 . . 1 . . . A 47 PHE HA . 16719 1 400 . 1 1 47 47 PHE HB2 H 1 3.241 . . 2 . . . A 47 PHE HB2 . 16719 1 401 . 1 1 47 47 PHE HB3 H 1 2.662 . . 2 . . . A 47 PHE HB3 . 16719 1 402 . 1 1 47 47 PHE HD2 H 1 6.918 . . 3 . . . A 47 PHE HD2 . 16719 1 403 . 1 1 47 47 PHE C C 13 176.43 . . . . . . A 47 PHE C . 16719 1 404 . 1 1 47 47 PHE CA C 13 58.605 . . 1 . . . A 47 PHE CA . 16719 1 405 . 1 1 47 47 PHE CB C 13 35.453 . . 1 . . . A 47 PHE CB . 16719 1 406 . 1 1 47 47 PHE N N 15 123.281 . . 1 . . . A 47 PHE N . 16719 1 407 . 1 1 48 48 GLU H H 1 8.076 . . 1 . . . A 48 GLU H . 16719 1 408 . 1 1 48 48 GLU HA H 1 3.795 . . 1 . . . A 48 GLU HA . 16719 1 409 . 1 1 48 48 GLU HB2 H 1 2.083 . . 2 . . . A 48 GLU HB2 . 16719 1 410 . 1 1 48 48 GLU HG2 H 1 2.491 . . 2 . . . A 48 GLU HG2 . 16719 1 411 . 1 1 48 48 GLU HG3 H 1 1.401 . . 2 . . . A 48 GLU HG3 . 16719 1 412 . 1 1 48 48 GLU C C 13 175.272 . . . . . . A 48 GLU C . 16719 1 413 . 1 1 48 48 GLU CA C 13 56.226 . . 1 . . . A 48 GLU CA . 16719 1 414 . 1 1 48 48 GLU CB C 13 26.596 . . 1 . . . A 48 GLU CB . 16719 1 415 . 1 1 48 48 GLU N N 15 121.391 . . 1 . . . A 48 GLU N . 16719 1 416 . 1 1 49 49 LYS H H 1 7.119 . . 1 . . . A 49 LYS H . 16719 1 417 . 1 1 49 49 LYS HA H 1 4.207 . . 1 . . . A 49 LYS HA . 16719 1 418 . 1 1 49 49 LYS HB2 H 1 1.843 . . 2 . . . A 49 LYS HB2 . 16719 1 419 . 1 1 49 49 LYS HB3 H 1 1.721 . . 2 . . . A 49 LYS HB3 . 16719 1 420 . 1 1 49 49 LYS HG2 H 1 1.559 . . 2 . . . A 49 LYS HG2 . 16719 1 421 . 1 1 49 49 LYS C C 13 173.931 . . . . . . A 49 LYS C . 16719 1 422 . 1 1 49 49 LYS CA C 13 53.373 . . 1 . . . A 49 LYS CA . 16719 1 423 . 1 1 49 49 LYS CB C 13 30.533 . . 1 . . . A 49 LYS CB . 16719 1 424 . 1 1 49 49 LYS N N 15 115.276 . . 1 . . . A 49 LYS N . 16719 1 425 . 1 1 50 50 GLY H H 1 7.789 . . 1 . . . A 50 GLY H . 16719 1 426 . 1 1 50 50 GLY HA2 H 1 3.946 . . 2 . . . A 50 GLY HA3 . 16719 1 427 . 1 1 50 50 GLY HA3 H 1 3.946 . . 2 . . . A 50 GLY HA3 . 16719 1 428 . 1 1 50 50 GLY C C 13 172.242 . . . . . . A 50 GLY C . 16719 1 429 . 1 1 50 50 GLY CA C 13 42.697 . . 1 . . . A 50 GLY CA . 16719 1 430 . 1 1 50 50 GLY N N 15 108.125 . . 1 . . . A 50 GLY N . 16719 1 431 . 1 1 51 51 GLU H H 1 7.987 . . 1 . . . A 51 GLU H . 16719 1 432 . 1 1 51 51 GLU HA H 1 4.007 . . 1 . . . A 51 GLU HA . 16719 1 433 . 1 1 51 51 GLU HB2 H 1 1.836 . . 2 . . . A 51 GLU HB2 . 16719 1 434 . 1 1 51 51 GLU HB3 H 1 1.419 . . 2 . . . A 51 GLU HB3 . 16719 1 435 . 1 1 51 51 GLU HG2 H 1 1.899 . . 2 . . . A 51 GLU HG2 . 16719 1 436 . 1 1 51 51 GLU C C 13 173.728 . . . . . . A 51 GLU C . 16719 1 437 . 1 1 51 51 GLU CA C 13 54.813 . . 1 . . . A 51 GLU CA . 16719 1 438 . 1 1 51 51 GLU CB C 13 28.38 . . 1 . . . A 51 GLU CB . 16719 1 439 . 1 1 51 51 GLU N N 15 118.143 . . 1 . . . A 51 GLU N . 16719 1 440 . 1 1 52 52 VAL H H 1 6.889 . . 1 . . . A 52 VAL H . 16719 1 441 . 1 1 52 52 VAL HA H 1 4.64 . . 1 . . . A 52 VAL HA . 16719 1 442 . 1 1 52 52 VAL HB H 1 1.753 . . 1 . . . A 52 VAL HB . 16719 1 443 . 1 1 52 52 VAL HG11 H 1 0.519 . . 2 . . . A 52 VAL HG11 . 16719 1 444 . 1 1 52 52 VAL HG12 H 1 0.519 . . 2 . . . A 52 VAL HG11 . 16719 1 445 . 1 1 52 52 VAL HG13 H 1 0.519 . . 2 . . . A 52 VAL HG11 . 16719 1 446 . 1 1 52 52 VAL HG21 H 1 0.183 . . 2 . . . A 52 VAL HG22 . 16719 1 447 . 1 1 52 52 VAL HG22 H 1 0.183 . . 2 . . . A 52 VAL HG22 . 16719 1 448 . 1 1 52 52 VAL HG23 H 1 0.183 . . 2 . . . A 52 VAL HG22 . 16719 1 449 . 1 1 52 52 VAL C C 13 173.947 . . . . . . A 52 VAL C . 16719 1 450 . 1 1 52 52 VAL CA C 13 56.552 . . 1 . . . A 52 VAL CA . 16719 1 451 . 1 1 52 52 VAL CB C 13 32.255 . . 1 . . . A 52 VAL CB . 16719 1 452 . 1 1 52 52 VAL N N 15 108.933 . . 1 . . . A 52 VAL N . 16719 1 453 . 1 1 53 53 THR H H 1 8.23 . . 1 . . . A 53 THR H . 16719 1 454 . 1 1 53 53 THR HA H 1 4.629 . . 1 . . . A 53 THR HA . 16719 1 455 . 1 1 53 53 THR HB H 1 4.407 . . 1 . . . A 53 THR HB . 16719 1 456 . 1 1 53 53 THR HG21 H 1 1.128 . . 1 . . . A 53 THR HG21 . 16719 1 457 . 1 1 53 53 THR HG22 H 1 1.128 . . 1 . . . A 53 THR HG21 . 16719 1 458 . 1 1 53 53 THR HG23 H 1 1.128 . . 1 . . . A 53 THR HG21 . 16719 1 459 . 1 1 53 53 THR C C 13 171.046 . . . . . . A 53 THR C . 16719 1 460 . 1 1 53 53 THR CA C 13 60.246 . . 1 . . . A 53 THR CA . 16719 1 461 . 1 1 53 53 THR CB C 13 67.026 . . 1 . . . A 53 THR CB . 16719 1 462 . 1 1 53 53 THR N N 15 108.065 . . 1 . . . A 53 THR N . 16719 1 463 . 1 1 54 54 TRP H H 1 7.375 . . 1 . . . A 54 TRP H . 16719 1 464 . 1 1 54 54 TRP HA H 1 4.975 . . 1 . . . A 54 TRP HA . 16719 1 465 . 1 1 54 54 TRP HB2 H 1 3.225 . . 2 . . . A 54 TRP HB2 . 16719 1 466 . 1 1 54 54 TRP HE1 H 1 10.101 . . 1 . . . A 54 TRP HE1 . 16719 1 467 . 1 1 54 54 TRP C C 13 170.084 . . . . . . A 54 TRP C . 16719 1 468 . 1 1 54 54 TRP CA C 13 52.248 . . 1 . . . A 54 TRP CA . 16719 1 469 . 1 1 54 54 TRP CB C 13 28.818 . . 1 . . . A 54 TRP CB . 16719 1 470 . 1 1 54 54 TRP N N 15 120.007 . . 1 . . . A 54 TRP N . 16719 1 471 . 1 1 55 55 LYS H H 1 8.341 . . 1 . . . A 55 LYS H . 16719 1 472 . 1 1 55 55 LYS HA H 1 4.123 . . 1 . . . A 55 LYS HA . 16719 1 473 . 1 1 55 55 LYS HB2 H 1 1.139 . . 2 . . . A 55 LYS HB2 . 16719 1 474 . 1 1 55 55 LYS HG2 H 1 0.686 . . 2 . . . A 55 LYS HG2 . 16719 1 475 . 1 1 55 55 LYS HG3 H 1 0.534 . . 2 . . . A 55 LYS HG3 . 16719 1 476 . 1 1 55 55 LYS C C 13 173.547 . . . . . . A 55 LYS C . 16719 1 477 . 1 1 55 55 LYS CA C 13 52.434 . . 1 . . . A 55 LYS CA . 16719 1 478 . 1 1 55 55 LYS CB C 13 31.724 . . 1 . . . A 55 LYS CB . 16719 1 479 . 1 1 55 55 LYS N N 15 122.056 . . 1 . . . A 55 LYS N . 16719 1 480 . 1 1 56 56 MET H H 1 9.183 . . 1 . . . A 56 MET H . 16719 1 481 . 1 1 56 56 MET HA H 1 4.47 . . 1 . . . A 56 MET HA . 16719 1 482 . 1 1 56 56 MET HB2 H 1 1.581 . . 2 . . . A 56 MET HB2 . 16719 1 483 . 1 1 56 56 MET HB3 H 1 1.44 . . 2 . . . A 56 MET HB3 . 16719 1 484 . 1 1 56 56 MET HG2 H 1 1.849 . . 2 . . . A 56 MET HG2 . 16719 1 485 . 1 1 56 56 MET C C 13 173.21 . . . . . . A 56 MET C . 16719 1 486 . 1 1 56 56 MET CA C 13 52.691 . . 1 . . . A 56 MET CA . 16719 1 487 . 1 1 56 56 MET CB C 13 34.305 . . 1 . . . A 56 MET CB . 16719 1 488 . 1 1 56 56 MET N N 15 123.459 . . 1 . . . A 56 MET N . 16719 1 489 . 1 1 57 57 GLY H H 1 8.311 . . 1 . . . A 57 GLY H . 16719 1 490 . 1 1 57 57 GLY HA3 H 1 4.615 . . 2 . . . A 57 GLY HA3 . 16719 1 491 . 1 1 57 57 GLY C C 13 169.459 . . . . . . A 57 GLY C . 16719 1 492 . 1 1 57 57 GLY CA C 13 41.424 . . 1 . . . A 57 GLY CA . 16719 1 493 . 1 1 57 57 GLY N N 15 108.925 . . 1 . . . A 57 GLY N . 16719 1 494 . 1 1 58 58 ILE H H 1 8.55 . . 1 . . . A 58 ILE H . 16719 1 495 . 1 1 58 58 ILE HA H 1 4.027 . . 1 . . . A 58 ILE HA . 16719 1 496 . 1 1 58 58 ILE HB H 1 1.887 . . 1 . . . A 58 ILE HB . 16719 1 497 . 1 1 58 58 ILE HG12 H 1 1.906 . . 2 . . . A 58 ILE HG12 . 16719 1 498 . 1 1 58 58 ILE HD11 H 1 1.127 . . 1 . . . A 58 ILE HD11 . 16719 1 499 . 1 1 58 58 ILE HD12 H 1 1.127 . . 1 . . . A 58 ILE HD11 . 16719 1 500 . 1 1 58 58 ILE HD13 H 1 1.127 . . 1 . . . A 58 ILE HD11 . 16719 1 501 . 1 1 58 58 ILE C C 13 173.029 . . . . . . A 58 ILE C . 16719 1 502 . 1 1 58 58 ILE CA C 13 58.834 . . 1 . . . A 58 ILE CA . 16719 1 503 . 1 1 58 58 ILE CB C 13 35.381 . . 1 . . . A 58 ILE CB . 16719 1 504 . 1 1 58 58 ILE N N 15 121.156 . . 1 . . . A 58 ILE N . 16719 1 505 . 1 1 59 59 ASN H H 1 7.797 . . 1 . . . A 59 ASN H . 16719 1 506 . 1 1 59 59 ASN HA H 1 4.348 . . 1 . . . A 59 ASN HA . 16719 1 507 . 1 1 59 59 ASN HB2 H 1 2.603 . . 2 . . . A 59 ASN HB2 . 16719 1 508 . 1 1 59 59 ASN HB3 H 1 1.935 . . 2 . . . A 59 ASN HB3 . 16719 1 509 . 1 1 59 59 ASN C C 13 175.818 . . . . . . A 59 ASN C . 16719 1 510 . 1 1 59 59 ASN CA C 13 52.128 . . 1 . . . A 59 ASN CA . 16719 1 511 . 1 1 59 59 ASN CB C 13 37.518 . . 1 . . . A 59 ASN CB . 16719 1 512 . 1 1 59 59 ASN N N 15 123.464 . . 1 . . . A 59 ASN N . 16719 1 513 . 1 1 60 60 HIS H H 1 7.966 . . 1 . . . A 60 HIS H . 16719 1 514 . 1 1 60 60 HIS HA H 1 4.005 . . 1 . . . A 60 HIS HA . 16719 1 515 . 1 1 60 60 HIS HB3 H 1 2.128 . . 2 . . . A 60 HIS HB3 . 16719 1 516 . 1 1 60 60 HIS C C 13 176.145 . . . . . . A 60 HIS C . 16719 1 517 . 1 1 60 60 HIS CA C 13 56.155 . . 1 . . . A 60 HIS CA . 16719 1 518 . 1 1 60 60 HIS N N 15 121.686 . . 1 . . . A 60 HIS N . 16719 1 519 . 1 1 61 61 LEU H H 1 7.347 . . 1 . . . A 61 LEU H . 16719 1 520 . 1 1 61 61 LEU HA H 1 4.115 . . 1 . . . A 61 LEU HA . 16719 1 521 . 1 1 61 61 LEU HB2 H 1 1.511 . . 2 . . . A 61 LEU HB2 . 16719 1 522 . 1 1 61 61 LEU HG H 1 0.38 . . 1 . . . A 61 LEU HG . 16719 1 523 . 1 1 61 61 LEU HD11 H 1 0.485 . . 2 . . . A 61 LEU HD11 . 16719 1 524 . 1 1 61 61 LEU HD12 H 1 0.485 . . 2 . . . A 61 LEU HD12 . 16719 1 525 . 1 1 61 61 LEU HD13 H 1 0.485 . . 2 . . . A 61 LEU HD13 . 16719 1 526 . 1 1 61 61 LEU HD21 H 1 0.33 . . . . . . A 61 LEU HD21 . 16719 1 527 . 1 1 61 61 LEU HD22 H 1 0.33 . . . . . . A 61 LEU HD22 . 16719 1 528 . 1 1 61 61 LEU HD23 H 1 0.33 . . . . . . A 61 LEU HD23 . 16719 1 529 . 1 1 61 61 LEU C C 13 176.333 . . . . . . A 61 LEU C . 16719 1 530 . 1 1 61 61 LEU CA C 13 51.768 . . 1 . . . A 61 LEU CA . 16719 1 531 . 1 1 61 61 LEU CB C 13 38.088 . . 1 . . . A 61 LEU CB . 16719 1 532 . 1 1 61 61 LEU N N 15 117.94 . . 1 . . . A 61 LEU N . 16719 1 533 . 1 1 62 62 ALA H H 1 7.483 . . 1 . . . A 62 ALA H . 16719 1 534 . 1 1 62 62 ALA HA H 1 4.041 . . 1 . . . A 62 ALA HA . 16719 1 535 . 1 1 62 62 ALA HB1 H 1 1.593 . . . . . . A 62 ALA HB1 . 16719 1 536 . 1 1 62 62 ALA HB2 H 1 1.593 . . . . . . A 62 ALA HB2 . 16719 1 537 . 1 1 62 62 ALA HB3 H 1 1.593 . . . . . . A 62 ALA HB3 . 16719 1 538 . 1 1 62 62 ALA C C 13 177.646 . . . . . . A 62 ALA C . 16719 1 539 . 1 1 62 62 ALA CA C 13 52.576 . . 1 . . . A 62 ALA CA . 16719 1 540 . 1 1 62 62 ALA CB C 13 16.424 . . 1 . . . A 62 ALA CB . 16719 1 541 . 1 1 62 62 ALA N N 15 119.929 . . 1 . . . A 62 ALA N . 16719 1 542 . 1 1 63 63 ASP H H 1 7.897 . . 1 . . . A 63 ASP H . 16719 1 543 . 1 1 63 63 ASP HA H 1 4.77 . . 1 . . . A 63 ASP HA . 16719 1 544 . 1 1 63 63 ASP HB2 H 1 3.315 . . 2 . . . A 63 ASP HB2 . 16719 1 545 . 1 1 63 63 ASP HB3 H 1 2.429 . . 2 . . . A 63 ASP HB3 . 16719 1 546 . 1 1 63 63 ASP C C 13 171.098 . . . . . . A 63 ASP C . 16719 1 547 . 1 1 63 63 ASP CA C 13 49.74 . . 1 . . . A 63 ASP CA . 16719 1 548 . 1 1 63 63 ASP CB C 13 39.02 . . 1 . . . A 63 ASP CB . 16719 1 549 . 1 1 63 63 ASP N N 15 115.044 . . 1 . . . A 63 ASP N . 16719 1 550 . 1 1 64 64 LEU H H 1 6.994 . . 1 . . . A 64 LEU H . 16719 1 551 . 1 1 64 64 LEU HA H 1 4.392 . . 1 . . . A 64 LEU HA . 16719 1 552 . 1 1 64 64 LEU HB2 H 1 1.76 . . 2 . . . A 64 LEU HB2 . 16719 1 553 . 1 1 64 64 LEU HG H 1 1.66 . . 1 . . . A 64 LEU HG . 16719 1 554 . 1 1 64 64 LEU HD11 H 1 0.786 . . 2 . . . A 64 LEU HD11 . 16719 1 555 . 1 1 64 64 LEU HD12 H 1 0.786 . . 2 . . . A 64 LEU HD11 . 16719 1 556 . 1 1 64 64 LEU HD13 H 1 0.786 . . 2 . . . A 64 LEU HD11 . 16719 1 557 . 1 1 64 64 LEU C C 13 174.669 . . . . . . A 64 LEU C . 16719 1 558 . 1 1 64 64 LEU CA C 13 51.305 . . 1 . . . A 64 LEU CA . 16719 1 559 . 1 1 64 64 LEU CB C 13 40.688 . . 1 . . . A 64 LEU CB . 16719 1 560 . 1 1 64 64 LEU N N 15 116.204 . . 1 . . . A 64 LEU N . 16719 1 561 . 1 1 65 65 THR H H 1 8.791 . . 1 . . . A 65 THR H . 16719 1 562 . 1 1 65 65 THR HA H 1 4.395 . . 1 . . . A 65 THR HA . 16719 1 563 . 1 1 65 65 THR C C 13 171.068 . . . . . . A 65 THR C . 16719 1 564 . 1 1 65 65 THR CA C 13 57.173 . . 1 . . . A 65 THR CA . 16719 1 565 . 1 1 65 65 THR N N 15 112.44 . . 1 . . . A 65 THR N . 16719 1 566 . 1 1 66 66 PRO HA H 1 4.62 . . 1 . . . A 66 PRO HA . 16719 1 567 . 1 1 66 66 PRO HB2 H 1 3.785 . . 2 . . . A 66 PRO HB2 . 16719 1 568 . 1 1 66 66 PRO HG2 H 1 1.868 . . 2 . . . A 66 PRO HG2 . 16719 1 569 . 1 1 67 67 GLU H H 1 8.586 . . 1 . . . A 67 GLU H . 16719 1 570 . 1 1 67 67 GLU HA H 1 3.993 . . 1 . . . A 67 GLU HA . 16719 1 571 . 1 1 67 67 GLU HB2 H 1 2.178 . . 2 . . . A 67 GLU HB2 . 16719 1 572 . 1 1 67 67 GLU HB3 H 1 1.956 . . 2 . . . A 67 GLU HB3 . 16719 1 573 . 1 1 67 67 GLU HG2 H 1 2.291 . . 2 . . . A 67 GLU HG2 . 16719 1 574 . 1 1 67 67 GLU C C 13 178.197 . . . . . . A 67 GLU C . 16719 1 575 . 1 1 67 67 GLU CA C 13 57.085 . . 1 . . . A 67 GLU CA . 16719 1 576 . 1 1 67 67 GLU CB C 13 26.308 . . 1 . . . A 67 GLU CB . 16719 1 577 . 1 1 67 67 GLU N N 15 117.569 . . 1 . . . A 67 GLU N . 16719 1 578 . 1 1 68 68 GLU H H 1 7.729 . . 1 . . . A 68 GLU H . 16719 1 579 . 1 1 68 68 GLU HA H 1 4.002 . . 1 . . . A 68 GLU HA . 16719 1 580 . 1 1 68 68 GLU HB2 H 1 2.154 . . 2 . . . A 68 GLU HB2 . 16719 1 581 . 1 1 68 68 GLU HG2 H 1 2.437 . . 2 . . . A 68 GLU HG2 . 16719 1 582 . 1 1 68 68 GLU HG3 H 1 2.427 . . 2 . . . A 68 GLU HG3 . 16719 1 583 . 1 1 68 68 GLU C C 13 177.158 . . . . . . A 68 GLU C . 16719 1 584 . 1 1 68 68 GLU CA C 13 55.413 . . 1 . . . A 68 GLU CA . 16719 1 585 . 1 1 68 68 GLU CB C 13 28.684 . . 1 . . . A 68 GLU CB . 16719 1 586 . 1 1 68 68 GLU N N 15 119.89 . . 1 . . . A 68 GLU N . 16719 1 587 . 1 1 69 69 PHE H H 1 8.561 . . 1 . . . A 69 PHE H . 16719 1 588 . 1 1 69 69 PHE HA H 1 3.905 . . 1 . . . A 69 PHE HA . 16719 1 589 . 1 1 69 69 PHE HB2 H 1 3.071 . . 2 . . . A 69 PHE HB2 . 16719 1 590 . 1 1 69 69 PHE HD2 H 1 7.062 . . 3 . . . A 69 PHE HD2 . 16719 1 591 . 1 1 69 69 PHE C C 13 172.934 . . . . . . A 69 PHE C . 16719 1 592 . 1 1 69 69 PHE CA C 13 57.973 . . 1 . . . A 69 PHE CA . 16719 1 593 . 1 1 69 69 PHE CB C 13 36.201 . . 1 . . . A 69 PHE CB . 16719 1 594 . 1 1 69 69 PHE N N 15 119.65 . . 1 . . . A 69 PHE N . 16719 1 595 . 1 1 70 70 ALA H H 1 7.895 . . 1 . . . A 70 ALA H . 16719 1 596 . 1 1 70 70 ALA HA H 1 3.875 . . 1 . . . A 70 ALA HA . 16719 1 597 . 1 1 70 70 ALA HB1 H 1 1.36 . . 1 . . . A 70 ALA HB1 . 16719 1 598 . 1 1 70 70 ALA HB2 H 1 1.36 . . 1 . . . A 70 ALA HB1 . 16719 1 599 . 1 1 70 70 ALA HB3 H 1 1.36 . . 1 . . . A 70 ALA HB1 . 16719 1 600 . 1 1 70 70 ALA C C 13 174.6 . . . . . . A 70 ALA C . 16719 1 601 . 1 1 70 70 ALA CA C 13 50.049 . . 1 . . . A 70 ALA CA . 16719 1 602 . 1 1 70 70 ALA CB C 13 16.449 . . 1 . . . A 70 ALA CB . 16719 1 603 . 1 1 70 70 ALA N N 15 124.17 . . 1 . . . A 70 ALA N . 16719 1 604 . 1 1 71 71 GLN H H 1 7.867 . . 1 . . . A 71 GLN H . 16719 1 605 . 1 1 71 71 GLN HA H 1 4.201 . . 1 . . . A 71 GLN HA . 16719 1 606 . 1 1 71 71 GLN C C 13 172.333 . . . . . . A 71 GLN C . 16719 1 607 . 1 1 71 71 GLN CA C 13 54.511 . . 1 . . . A 71 GLN CA . 16719 1 608 . 1 1 71 71 GLN CB C 13 26.518 . . 1 . . . A 71 GLN CB . 16719 1 609 . 1 1 71 71 GLN N N 15 118.203 . . 1 . . . A 71 GLN N . 16719 1 610 . 1 1 72 72 ARG H H 1 7.882 . . 1 . . . A 72 ARG H . 16719 1 611 . 1 1 72 72 ARG HA H 1 4.114 . . 1 . . . A 72 ARG HA . 16719 1 612 . 1 1 72 72 ARG HB2 H 1 2.18 . . 2 . . . A 72 ARG HB2 . 16719 1 613 . 1 1 72 72 ARG HG2 H 1 1.608 . . 2 . . . A 72 ARG HG2 . 16719 1 614 . 1 1 72 72 ARG C C 13 173.275 . . . . . . A 72 ARG C . 16719 1 615 . 1 1 72 72 ARG CA C 13 53.427 . . 1 . . . A 72 ARG CA . 16719 1 616 . 1 1 72 72 ARG CB C 13 36.24 . . 1 . . . A 72 ARG CB . 16719 1 617 . 1 1 72 72 ARG N N 15 118.374 . . 1 . . . A 72 ARG N . 16719 1 618 . 1 1 73 73 SER H H 1 7.902 . . 1 . . . A 73 SER H . 16719 1 619 . 1 1 73 73 SER HA H 1 4.693 . . 1 . . . A 73 SER HA . 16719 1 620 . 1 1 73 73 SER HB2 H 1 3.644 . . 2 . . . A 73 SER HB2 . 16719 1 621 . 1 1 73 73 SER HB3 H 1 3.524 . . 2 . . . A 73 SER HB3 . 16719 1 622 . 1 1 73 73 SER C C 13 171.207 . . . . . . A 73 SER C . 16719 1 623 . 1 1 73 73 SER CA C 13 56.281 . . 1 . . . A 73 SER CA . 16719 1 624 . 1 1 73 73 SER CB C 13 61.041 . . 1 . . . A 73 SER CB . 16719 1 625 . 1 1 73 73 SER N N 15 114.838 . . 1 . . . A 73 SER N . 16719 1 626 . 1 1 74 74 GLY H H 1 8.041 . . 1 . . . A 74 GLY H . 16719 1 627 . 1 1 74 74 GLY HA3 H 1 4.691 . . 2 . . . A 74 GLY HA3 . 16719 1 628 . 1 1 74 74 GLY CA C 13 42.662 . . 1 . . . A 74 GLY CA . 16719 1 629 . 1 1 74 74 GLY N N 15 110.047 . . 1 . . . A 74 GLY N . 16719 1 630 . 1 1 75 75 LYS H H 1 7.921 . . 1 . . . A 75 LYS H . 16719 1 631 . 1 1 75 75 LYS HA H 1 4.691 . . 1 . . . A 75 LYS HA . 16719 1 632 . 1 1 75 75 LYS HB2 H 1 1.618 . . 2 . . . A 75 LYS HB2 . 16719 1 633 . 1 1 75 75 LYS CA C 13 53.31 . . 1 . . . A 75 LYS CA . 16719 1 634 . 1 1 75 75 LYS N N 15 120.5 . . 1 . . . A 75 LYS N . 16719 1 635 . 1 1 76 76 LYS H H 1 8.121 . . 1 . . . A 76 LYS H . 16719 1 636 . 1 1 76 76 LYS HA H 1 4.241 . . 1 . . . A 76 LYS HA . 16719 1 637 . 1 1 76 76 LYS HB2 H 1 2.001 . . 2 . . . A 76 LYS HB2 . 16719 1 638 . 1 1 76 76 LYS CA C 13 57.032 . . 1 . . . A 76 LYS CA . 16719 1 639 . 1 1 76 76 LYS N N 15 123.345 . . 1 . . . A 76 LYS N . 16719 1 stop_ save_