data_30661 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30661 _Entry.Title ; Solution NMR Structure Of The Full Length Latent Form MinE Protein From Neisseria gonorrheae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-30 _Entry.Accession_date 2019-08-30 _Entry.Last_release_date 2019-11-18 _Entry.Original_release_date 2019-11-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30661 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Cai M. . . . 30661 2 Y. Shen Y. . . . 30661 3 M. Clore M. . . . 30661 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CELL CYCLE' . 30661 'CELL DIVISION' . 30661 MinD . 30661 MinE . 30661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 236 30661 '15N chemical shifts' 77 30661 '1H chemical shifts' 147 30661 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 . . 2021-10-13 2019-08-30 update BMRB 'update entry citation' 30661 1 . . 2020-07-05 2019-08-30 original author 'original release' 30661 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6U6P . 30661 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30661 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31772021 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Probing transient excited states of the bacterial cell division regulator MinE by relaxation dispersion NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc Natl Acad Sci U S A' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 116 _Citation.Journal_issue 51 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0353 _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 25446 _Citation.Page_last 25455 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mengli Cai M. . . . 30661 1 2 Ying Huang Y. . . . 30661 1 3 Yang Shen Y. . . . 30661 1 4 Min Li M. . . . 30661 1 5 Michiyo Mizuuchi M. . . . 30661 1 6 Rodolfo Ghirlando R. . . . 30661 1 7 Kiyoshi Mizuuchi K. . . . 30661 1 8 'G Marius' Clore G. M. . . 30661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30661 _Assembly.ID 1 _Assembly.Name 'Cell division topological specificity factor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 30661 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 30661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30661 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSLIELLFGQMQKTATVARD RLQIIIAQERAQEGQTPDYL PTLRKALMEVLSKYVNVSLD NIRISQEKQDGMDVLELNIT L ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9256.723 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30661 1 2 . SER . 30661 1 3 . LEU . 30661 1 4 . ILE . 30661 1 5 . GLU . 30661 1 6 . LEU . 30661 1 7 . LEU . 30661 1 8 . PHE . 30661 1 9 . GLY . 30661 1 10 . GLN . 30661 1 11 . MET . 30661 1 12 . GLN . 30661 1 13 . LYS . 30661 1 14 . THR . 30661 1 15 . ALA . 30661 1 16 . THR . 30661 1 17 . VAL . 30661 1 18 . ALA . 30661 1 19 . ARG . 30661 1 20 . ASP . 30661 1 21 . ARG . 30661 1 22 . LEU . 30661 1 23 . GLN . 30661 1 24 . ILE . 30661 1 25 . ILE . 30661 1 26 . ILE . 30661 1 27 . ALA . 30661 1 28 . GLN . 30661 1 29 . GLU . 30661 1 30 . ARG . 30661 1 31 . ALA . 30661 1 32 . GLN . 30661 1 33 . GLU . 30661 1 34 . GLY . 30661 1 35 . GLN . 30661 1 36 . THR . 30661 1 37 . PRO . 30661 1 38 . ASP . 30661 1 39 . TYR . 30661 1 40 . LEU . 30661 1 41 . PRO . 30661 1 42 . THR . 30661 1 43 . LEU . 30661 1 44 . ARG . 30661 1 45 . LYS . 30661 1 46 . ALA . 30661 1 47 . LEU . 30661 1 48 . MET . 30661 1 49 . GLU . 30661 1 50 . VAL . 30661 1 51 . LEU . 30661 1 52 . SER . 30661 1 53 . LYS . 30661 1 54 . TYR . 30661 1 55 . VAL . 30661 1 56 . ASN . 30661 1 57 . VAL . 30661 1 58 . SER . 30661 1 59 . LEU . 30661 1 60 . ASP . 30661 1 61 . ASN . 30661 1 62 . ILE . 30661 1 63 . ARG . 30661 1 64 . ILE . 30661 1 65 . SER . 30661 1 66 . GLN . 30661 1 67 . GLU . 30661 1 68 . LYS . 30661 1 69 . GLN . 30661 1 70 . ASP . 30661 1 71 . GLY . 30661 1 72 . MET . 30661 1 73 . ASP . 30661 1 74 . VAL . 30661 1 75 . LEU . 30661 1 76 . GLU . 30661 1 77 . LEU . 30661 1 78 . ASN . 30661 1 79 . ILE . 30661 1 80 . THR . 30661 1 81 . LEU . 30661 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 30661 1 . SER 2 2 30661 1 . LEU 3 3 30661 1 . ILE 4 4 30661 1 . GLU 5 5 30661 1 . LEU 6 6 30661 1 . LEU 7 7 30661 1 . PHE 8 8 30661 1 . GLY 9 9 30661 1 . GLN 10 10 30661 1 . MET 11 11 30661 1 . GLN 12 12 30661 1 . LYS 13 13 30661 1 . THR 14 14 30661 1 . ALA 15 15 30661 1 . THR 16 16 30661 1 . VAL 17 17 30661 1 . ALA 18 18 30661 1 . ARG 19 19 30661 1 . ASP 20 20 30661 1 . ARG 21 21 30661 1 . LEU 22 22 30661 1 . GLN 23 23 30661 1 . ILE 24 24 30661 1 . ILE 25 25 30661 1 . ILE 26 26 30661 1 . ALA 27 27 30661 1 . GLN 28 28 30661 1 . GLU 29 29 30661 1 . ARG 30 30 30661 1 . ALA 31 31 30661 1 . GLN 32 32 30661 1 . GLU 33 33 30661 1 . GLY 34 34 30661 1 . GLN 35 35 30661 1 . THR 36 36 30661 1 . PRO 37 37 30661 1 . ASP 38 38 30661 1 . TYR 39 39 30661 1 . LEU 40 40 30661 1 . PRO 41 41 30661 1 . THR 42 42 30661 1 . LEU 43 43 30661 1 . ARG 44 44 30661 1 . LYS 45 45 30661 1 . ALA 46 46 30661 1 . LEU 47 47 30661 1 . MET 48 48 30661 1 . GLU 49 49 30661 1 . VAL 50 50 30661 1 . LEU 51 51 30661 1 . SER 52 52 30661 1 . LYS 53 53 30661 1 . TYR 54 54 30661 1 . VAL 55 55 30661 1 . ASN 56 56 30661 1 . VAL 57 57 30661 1 . SER 58 58 30661 1 . LEU 59 59 30661 1 . ASP 60 60 30661 1 . ASN 61 61 30661 1 . ILE 62 62 30661 1 . ARG 63 63 30661 1 . ILE 64 64 30661 1 . SER 65 65 30661 1 . GLN 66 66 30661 1 . GLU 67 67 30661 1 . LYS 68 68 30661 1 . GLN 69 69 30661 1 . ASP 70 70 30661 1 . GLY 71 71 30661 1 . MET 72 72 30661 1 . ASP 73 73 30661 1 . VAL 74 74 30661 1 . LEU 75 75 30661 1 . GLU 76 76 30661 1 . LEU 77 77 30661 1 . ASN 78 78 30661 1 . ILE 79 79 30661 1 . THR 80 80 30661 1 . LEU 81 81 30661 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 30661 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 485 organism . 'Neisseria gonorrhoeae' 'Neisseria gonorrhoeae' . . Bacteria . Neisseria gonorrhoeae . . . . . . . . . . . minE . 30661 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 30661 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . PLASMID . . PET-30A . . . 30661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30661 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM U-13C/15N MinE-wt, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MinE-wt '[U-13C; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30661 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30661 1 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30661 1 4 'benzamidine chloride' 'natural abundance' . . . . . . 0.1 . . mM . . . . 30661 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30661 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM U-2H/15N MinE-wt-RDC, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MinE-wt-RDC '[U-2H; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30661 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30661 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM U-13C/15N MinE-d10, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MinE-d10 '[U-13C; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30661 3 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30661 3 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30661 3 4 'benzamidine chloride' 'natural abundance' . . . . . . 0.1 . . mM . . . . 30661 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30661 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM U-2H/15N MinE-d10-RDC, 1.0 mM U-2H/15N MinE-d10-CPMG, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MinE-d10-RDC '[U-2H; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30661 4 2 MinE-d10-CPMG '[U-2H; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30661 4 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 30661 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 25 . mM 30661 1 pH 6.5 . pH 30661 1 pressure 1 . bar 30661 1 temperature 298 . K 30661 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30661 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 200 . mM 30661 2 pH 6.5 . pH 30661 2 pressure 1 . bar 30661 2 temperature 298 . K 30661 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30661 _Software.ID 1 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 30661 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30661 1 'peak picking' . 30661 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30661 _Software.ID 2 _Software.Type . _Software.Name CS-ROSETTA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 30661 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30661 2 'structure calculation' . 30661 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30661 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30661 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30661 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30661 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30661 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30661 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30661 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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_1 Bruker AVANCE . 500 . . . 30661 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 30661 1 3 NMR_spectrometer_3 Bruker AVANCE . 800 . . . 30661 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 30661 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30661 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30661 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30661 1 4 '3D HBHA(CBCACO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30661 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30661 1 6 '3D HBHA(CBCACO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30661 1 7 '3D HNCO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30661 1 8 '3D HNCACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30661 1 9 'HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30661 1 10 'HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30661 1 11 'HSQC IPAP' no . . . . . . . . . . . . 4 $sample_4 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30661 1 12 'HSQC IPAP' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30661 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30661 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30661 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30661 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30661 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30661 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '3D CBCA(CO)NH' . . . 30661 1 2 '3D HNCACB' . . . 30661 1 3 '3D HNCO' . . . 30661 1 4 '3D HBHA(CBCACO)NH' . . . 30661 1 5 '3D CBCA(CO)NH' . . . 30661 1 6 '3D HBHA(CBCACO)NH' . . . 30661 1 7 '3D HNCO' . . . 30661 1 8 '3D HNCACB' . . . 30661 1 9 'HSQC IPAP' . . . 30661 1 10 'HSQC IPAP' . . . 30661 1 11 'HSQC IPAP' . . . 30661 1 12 'HSQC IPAP' . . . 30661 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.182 . . . . . . . A 1 MET HA . 30661 1 2 . 1 . 1 1 1 MET C C 13 176.783 . . . . . . . A 1 MET C . 30661 1 3 . 1 . 1 1 1 MET CA C 13 55.093 . . . . . . . A 1 MET CA . 30661 1 4 . 1 . 1 1 1 MET CB C 13 24.434 . . . . . . . A 1 MET CB . 30661 1 5 . 1 . 1 2 2 SER H H 1 8.242 . . . . . . . A 2 SER H . 30661 1 6 . 1 . 1 2 2 SER CA C 13 57.687 . . . . . . . A 2 SER CA . 30661 1 7 . 1 . 1 2 2 SER CB C 13 64.194 . . . . . . . A 2 SER CB . 30661 1 8 . 1 . 1 2 2 SER N N 15 121.783 . . . . . . . A 2 SER N . 30661 1 9 . 1 . 1 3 3 LEU HA H 1 4.047 . . . . . . . A 3 LEU HA . 30661 1 10 . 1 . 1 3 3 LEU C C 13 178.842 . . . . . . . A 3 LEU C . 30661 1 11 . 1 . 1 3 3 LEU CA C 13 57.686 . . . . . . . A 3 LEU CA . 30661 1 12 . 1 . 1 3 3 LEU CB C 13 42.140 . . . . . . . A 3 LEU CB . 30661 1 13 . 1 . 1 4 4 ILE H H 1 8.509 . . . . . . . A 4 ILE H . 30661 1 14 . 1 . 1 4 4 ILE HA H 1 3.545 . . . . . . . A 4 ILE HA . 30661 1 15 . 1 . 1 4 4 ILE C C 13 177.368 . . . . . . . A 4 ILE C . 30661 1 16 . 1 . 1 4 4 ILE CA C 13 65.617 . . . . . . . A 4 ILE CA . 30661 1 17 . 1 . 1 4 4 ILE CB C 13 37.511 . . . . . . . A 4 ILE CB . 30661 1 18 . 1 . 1 4 4 ILE N N 15 119.477 . . . . . . . A 4 ILE N . 30661 1 19 . 1 . 1 5 5 GLU H H 1 7.807 . . . . . . . A 5 GLU H . 30661 1 20 . 1 . 1 5 5 GLU HA H 1 3.862 . . . . . . . A 5 GLU HA . 30661 1 21 . 1 . 1 5 5 GLU C C 13 178.944 . . . . . . . A 5 GLU C . 30661 1 22 . 1 . 1 5 5 GLU CA C 13 59.140 . . . . . . . A 5 GLU CA . 30661 1 23 . 1 . 1 5 5 GLU CB C 13 29.549 . . . . . . . A 5 GLU CB . 30661 1 24 . 1 . 1 5 5 GLU N N 15 119.071 . . . . . . . A 5 GLU N . 30661 1 25 . 1 . 1 6 6 LEU H H 1 7.559 . . . . . . . A 6 LEU H . 30661 1 26 . 1 . 1 6 6 LEU HA H 1 3.976 . . . . . . . A 6 LEU HA . 30661 1 27 . 1 . 1 6 6 LEU C C 13 178.561 . . . . . . . A 6 LEU C . 30661 1 28 . 1 . 1 6 6 LEU CA C 13 57.473 . . . . . . . A 6 LEU CA . 30661 1 29 . 1 . 1 6 6 LEU CB C 13 42.467 . . . . . . . A 6 LEU CB . 30661 1 30 . 1 . 1 6 6 LEU N N 15 119.468 . . . . . . . A 6 LEU N . 30661 1 31 . 1 . 1 7 7 LEU H H 1 8.027 . . . . . . . A 7 LEU H . 30661 1 32 . 1 . 1 7 7 LEU HA H 1 3.848 . . . . . . . A 7 LEU HA . 30661 1 33 . 1 . 1 7 7 LEU C C 13 178.737 . . . . . . . A 7 LEU C . 30661 1 34 . 1 . 1 7 7 LEU CA C 13 56.608 . . . . . . . A 7 LEU CA . 30661 1 35 . 1 . 1 7 7 LEU CB C 13 42.089 . . . . . . . A 7 LEU CB . 30661 1 36 . 1 . 1 7 7 LEU N N 15 116.907 . . . . . . . A 7 LEU N . 30661 1 37 . 1 . 1 8 8 PHE H H 1 8.153 . . . . . . . A 8 PHE H . 30661 1 38 . 1 . 1 8 8 PHE HA H 1 4.555 . . . . . . . A 8 PHE HA . 30661 1 39 . 1 . 1 8 8 PHE C C 13 177.272 . . . . . . . A 8 PHE C . 30661 1 40 . 1 . 1 8 8 PHE CA C 13 58.170 . . . . . . . A 8 PHE CA . 30661 1 41 . 1 . 1 8 8 PHE CB C 13 39.291 . . . . . . . A 8 PHE CB . 30661 1 42 . 1 . 1 8 8 PHE N N 15 116.615 . . . . . . . A 8 PHE N . 30661 1 43 . 1 . 1 9 9 GLY H H 1 7.923 . . . . . . . A 9 GLY H . 30661 1 44 . 1 . 1 9 9 GLY C C 13 174.695 . . . . . . . A 9 GLY C . 30661 1 45 . 1 . 1 9 9 GLY CA C 13 46.145 . . . . . . . A 9 GLY CA . 30661 1 46 . 1 . 1 9 9 GLY N N 15 108.306 . . . . . . . A 9 GLY N . 30661 1 47 . 1 . 1 10 10 GLN H H 1 8.073 . . . . . . . A 10 GLN H . 30661 1 48 . 1 . 1 10 10 GLN HA H 1 4.181 . . . . . . . A 10 GLN HA . 30661 1 49 . 1 . 1 10 10 GLN C C 13 176.557 . . . . . . . A 10 GLN C . 30661 1 50 . 1 . 1 10 10 GLN CA C 13 56.162 . . . . . . . A 10 GLN CA . 30661 1 51 . 1 . 1 10 10 GLN CB C 13 29.003 . . . . . . . A 10 GLN CB . 30661 1 52 . 1 . 1 10 10 GLN N N 15 118.871 . . . . . . . A 10 GLN N . 30661 1 53 . 1 . 1 11 11 MET H H 1 8.088 . . . . . . . A 11 MET H . 30661 1 54 . 1 . 1 11 11 MET HA H 1 4.119 . . . . . . . A 11 MET HA . 30661 1 55 . 1 . 1 11 11 MET C C 13 176.901 . . . . . . . A 11 MET C . 30661 1 56 . 1 . 1 11 11 MET CA C 13 56.910 . . . . . . . A 11 MET CA . 30661 1 57 . 1 . 1 11 11 MET CB C 13 32.702 . . . . . . . A 11 MET CB . 30661 1 58 . 1 . 1 11 11 MET N N 15 121.502 . . . . . . . A 11 MET N . 30661 1 59 . 1 . 1 12 12 GLN H H 1 8.334 . . . . . . . A 12 GLN H . 30661 1 60 . 1 . 1 12 12 GLN C C 13 176.391 . . . . . . . A 12 GLN C . 30661 1 61 . 1 . 1 12 12 GLN CA C 13 56.171 . . . . . . . A 12 GLN CA . 30661 1 62 . 1 . 1 12 12 GLN CB C 13 29.288 . . . . . . . A 12 GLN CB . 30661 1 63 . 1 . 1 12 12 GLN N N 15 120.393 . . . . . . . A 12 GLN N . 30661 1 64 . 1 . 1 13 13 LYS H H 1 8.307 . . . . . . . A 13 LYS H . 30661 1 65 . 1 . 1 13 13 LYS HA H 1 4.207 . . . . . . . A 13 LYS HA . 30661 1 66 . 1 . 1 13 13 LYS C C 13 176.827 . . . . . . . A 13 LYS C . 30661 1 67 . 1 . 1 13 13 LYS CA C 13 57.041 . . . . . . . A 13 LYS CA . 30661 1 68 . 1 . 1 13 13 LYS CB C 13 32.770 . . . . . . . A 13 LYS CB . 30661 1 69 . 1 . 1 13 13 LYS N N 15 121.812 . . . . . . . A 13 LYS N . 30661 1 70 . 1 . 1 14 14 THR H H 1 7.940 . . . . . . . A 14 THR H . 30661 1 71 . 1 . 1 14 14 THR HA H 1 4.264 . . . . . . . A 14 THR HA . 30661 1 72 . 1 . 1 14 14 THR C C 13 174.031 . . . . . . . A 14 THR C . 30661 1 73 . 1 . 1 14 14 THR CA C 13 61.576 . . . . . . . A 14 THR CA . 30661 1 74 . 1 . 1 14 14 THR CB C 13 70.024 . . . . . . . A 14 THR CB . 30661 1 75 . 1 . 1 14 14 THR N N 15 113.638 . . . . . . . A 14 THR N . 30661 1 76 . 1 . 1 15 15 ALA H H 1 8.265 . . . . . . . A 15 ALA H . 30661 1 77 . 1 . 1 15 15 ALA HA H 1 4.293 . . . . . . . A 15 ALA HA . 30661 1 78 . 1 . 1 15 15 ALA C C 13 177.618 . . . . . . . A 15 ALA C . 30661 1 79 . 1 . 1 15 15 ALA CA C 13 52.704 . . . . . . . A 15 ALA CA . 30661 1 80 . 1 . 1 15 15 ALA CB C 13 19.124 . . . . . . . A 15 ALA CB . 30661 1 81 . 1 . 1 15 15 ALA N N 15 125.816 . . . . . . . A 15 ALA N . 30661 1 82 . 1 . 1 16 16 THR H H 1 8.070 . . . . . . . A 16 THR H . 30661 1 83 . 1 . 1 16 16 THR HA H 1 4.241 . . . . . . . A 16 THR HA . 30661 1 84 . 1 . 1 16 16 THR C C 13 174.298 . . . . . . . A 16 THR C . 30661 1 85 . 1 . 1 16 16 THR CA C 13 61.899 . . . . . . . A 16 THR CA . 30661 1 86 . 1 . 1 16 16 THR CB C 13 70.048 . . . . . . . A 16 THR CB . 30661 1 87 . 1 . 1 16 16 THR N N 15 113.794 . . . . . . . A 16 THR N . 30661 1 88 . 1 . 1 17 17 VAL H H 1 8.087 . . . . . . . A 17 VAL H . 30661 1 89 . 1 . 1 17 17 VAL HA H 1 4.012 . . . . . . . A 17 VAL HA . 30661 1 90 . 1 . 1 17 17 VAL C C 13 175.445 . . . . . . . A 17 VAL C . 30661 1 91 . 1 . 1 17 17 VAL CA C 13 62.129 . . . . . . . A 17 VAL CA . 30661 1 92 . 1 . 1 17 17 VAL CB C 13 32.847 . . . . . . . A 17 VAL CB . 30661 1 93 . 1 . 1 17 17 VAL N N 15 122.576 . . . . . . . A 17 VAL N . 30661 1 94 . 1 . 1 18 18 ALA H H 1 8.460 . . . . . . . A 18 ALA H . 30661 1 95 . 1 . 1 18 18 ALA HA H 1 4.258 . . . . . . . A 18 ALA HA . 30661 1 96 . 1 . 1 18 18 ALA C C 13 176.898 . . . . . . . A 18 ALA C . 30661 1 97 . 1 . 1 18 18 ALA CA C 13 52.613 . . . . . . . A 18 ALA CA . 30661 1 98 . 1 . 1 18 18 ALA CB C 13 19.530 . . . . . . . A 18 ALA CB . 30661 1 99 . 1 . 1 18 18 ALA N N 15 129.145 . . . . . . . A 18 ALA N . 30661 1 100 . 1 . 1 19 19 ARG H H 1 8.014 . . . . . . . A 19 ARG H . 30661 1 101 . 1 . 1 19 19 ARG HA H 1 4.368 . . . . . . . A 19 ARG HA . 30661 1 102 . 1 . 1 19 19 ARG C C 13 174.505 . . . . . . . A 19 ARG C . 30661 1 103 . 1 . 1 19 19 ARG CA C 13 54.550 . . . . . . . A 19 ARG CA . 30661 1 104 . 1 . 1 19 19 ARG CB C 13 32.572 . . . . . . . A 19 ARG CB . 30661 1 105 . 1 . 1 19 19 ARG N N 15 120.246 . . . . . . . A 19 ARG N . 30661 1 106 . 1 . 1 20 20 ASP H H 1 8.342 . . . . . . . A 20 ASP H . 30661 1 107 . 1 . 1 20 20 ASP HA H 1 5.019 . . . . . . . A 20 ASP HA . 30661 1 108 . 1 . 1 20 20 ASP C C 13 175.784 . . . . . . . A 20 ASP C . 30661 1 109 . 1 . 1 20 20 ASP CA C 13 54.448 . . . . . . . A 20 ASP CA . 30661 1 110 . 1 . 1 20 20 ASP CB C 13 41.647 . . . . . . . A 20 ASP CB . 30661 1 111 . 1 . 1 20 20 ASP N N 15 121.700 . . . . . . . A 20 ASP N . 30661 1 112 . 1 . 1 21 21 ARG H H 1 8.789 . . . . . . . A 21 ARG H . 30661 1 113 . 1 . 1 21 21 ARG HA H 1 5.097 . . . . . . . A 21 ARG HA . 30661 1 114 . 1 . 1 21 21 ARG C C 13 173.930 . . . . . . . A 21 ARG C . 30661 1 115 . 1 . 1 21 21 ARG CA C 13 55.490 . . . . . . . A 21 ARG CA . 30661 1 116 . 1 . 1 21 21 ARG CB C 13 34.398 . . . . . . . A 21 ARG CB . 30661 1 117 . 1 . 1 21 21 ARG N N 15 120.184 . . . . . . . A 21 ARG N . 30661 1 118 . 1 . 1 22 22 LEU H H 1 8.780 . . . . . . . A 22 LEU H . 30661 1 119 . 1 . 1 22 22 LEU HA H 1 5.377 . . . . . . . A 22 LEU HA . 30661 1 120 . 1 . 1 22 22 LEU C C 13 174.929 . . . . . . . A 22 LEU C . 30661 1 121 . 1 . 1 22 22 LEU CA C 13 53.597 . . . . . . . A 22 LEU CA . 30661 1 122 . 1 . 1 22 22 LEU CB C 13 47.327 . . . . . . . A 22 LEU CB . 30661 1 123 . 1 . 1 22 22 LEU N N 15 120.541 . . . . . . . A 22 LEU N . 30661 1 124 . 1 . 1 23 23 GLN H H 1 9.441 . . . . . . . A 23 GLN H . 30661 1 125 . 1 . 1 23 23 GLN HA H 1 5.204 . . . . . . . A 23 GLN HA . 30661 1 126 . 1 . 1 23 23 GLN C C 13 173.874 . . . . . . . A 23 GLN C . 30661 1 127 . 1 . 1 23 23 GLN CA C 13 54.716 . . . . . . . A 23 GLN CA . 30661 1 128 . 1 . 1 23 23 GLN CB C 13 32.876 . . . . . . . A 23 GLN CB . 30661 1 129 . 1 . 1 23 23 GLN N N 15 126.070 . . . . . . . A 23 GLN N . 30661 1 130 . 1 . 1 24 24 ILE H H 1 9.171 . . . . . . . A 24 ILE H . 30661 1 131 . 1 . 1 24 24 ILE HA H 1 5.153 . . . . . . . A 24 ILE HA . 30661 1 132 . 1 . 1 24 24 ILE C C 13 174.057 . . . . . . . A 24 ILE C . 30661 1 133 . 1 . 1 24 24 ILE CA C 13 59.954 . . . . . . . A 24 ILE CA . 30661 1 134 . 1 . 1 24 24 ILE CB C 13 41.214 . . . . . . . A 24 ILE CB . 30661 1 135 . 1 . 1 24 24 ILE N N 15 124.928 . . . . . . . A 24 ILE N . 30661 1 136 . 1 . 1 25 25 ILE H H 1 9.574 . . . . . . . A 25 ILE H . 30661 1 137 . 1 . 1 25 25 ILE HA H 1 4.988 . . . . . . . A 25 ILE HA . 30661 1 138 . 1 . 1 25 25 ILE C C 13 174.611 . . . . . . . A 25 ILE C . 30661 1 139 . 1 . 1 25 25 ILE CA C 13 59.600 . . . . . . . A 25 ILE CA . 30661 1 140 . 1 . 1 25 25 ILE CB C 13 41.536 . . . . . . . A 25 ILE CB . 30661 1 141 . 1 . 1 25 25 ILE N N 15 127.918 . . . . . . . A 25 ILE N . 30661 1 142 . 1 . 1 26 26 ILE H H 1 9.399 . . . . . . . A 26 ILE H . 30661 1 143 . 1 . 1 26 26 ILE HA H 1 4.803 . . . . . . . A 26 ILE HA . 30661 1 144 . 1 . 1 26 26 ILE C C 13 173.241 . . . . . . . A 26 ILE C . 30661 1 145 . 1 . 1 26 26 ILE CA C 13 60.353 . . . . . . . A 26 ILE CA . 30661 1 146 . 1 . 1 26 26 ILE CB C 13 40.186 . . . . . . . A 26 ILE CB . 30661 1 147 . 1 . 1 26 26 ILE N N 15 125.630 . . . . . . . A 26 ILE N . 30661 1 148 . 1 . 1 27 27 ALA H H 1 9.494 . . . . . . . A 27 ALA H . 30661 1 149 . 1 . 1 27 27 ALA HA H 1 5.487 . . . . . . . A 27 ALA HA . 30661 1 150 . 1 . 1 27 27 ALA C C 13 175.295 . . . . . . . A 27 ALA C . 30661 1 151 . 1 . 1 27 27 ALA CA C 13 49.894 . . . . . . . A 27 ALA CA . 30661 1 152 . 1 . 1 27 27 ALA CB C 13 22.624 . . . . . . . A 27 ALA CB . 30661 1 153 . 1 . 1 27 27 ALA N N 15 129.167 . . . . . . . A 27 ALA N . 30661 1 154 . 1 . 1 28 28 GLN H H 1 9.358 . . . . . . . A 28 GLN H . 30661 1 155 . 1 . 1 28 28 GLN HA H 1 5.191 . . . . . . . A 28 GLN HA . 30661 1 156 . 1 . 1 28 28 GLN C C 13 173.605 . . . . . . . A 28 GLN C . 30661 1 157 . 1 . 1 28 28 GLN CA C 13 54.617 . . . . . . . A 28 GLN CA . 30661 1 158 . 1 . 1 28 28 GLN CB C 13 34.104 . . . . . . . A 28 GLN CB . 30661 1 159 . 1 . 1 28 28 GLN N N 15 123.900 . . . . . . . A 28 GLN N . 30661 1 160 . 1 . 1 29 29 GLU H H 1 8.933 . . . . . . . A 29 GLU H . 30661 1 161 . 1 . 1 29 29 GLU HA H 1 4.967 . . . . . . . A 29 GLU HA . 30661 1 162 . 1 . 1 29 29 GLU C C 13 174.790 . . . . . . . A 29 GLU C . 30661 1 163 . 1 . 1 29 29 GLU CA C 13 55.141 . . . . . . . A 29 GLU CA . 30661 1 164 . 1 . 1 29 29 GLU CB C 13 32.964 . . . . . . . A 29 GLU CB . 30661 1 165 . 1 . 1 29 29 GLU N N 15 129.266 . . . . . . . A 29 GLU N . 30661 1 166 . 1 . 1 30 30 ARG H H 1 8.403 . . . . . . . A 30 ARG H . 30661 1 167 . 1 . 1 30 30 ARG HA H 1 4.847 . . . . . . . A 30 ARG HA . 30661 1 168 . 1 . 1 30 30 ARG C C 13 175.730 . . . . . . . A 30 ARG C . 30661 1 169 . 1 . 1 30 30 ARG CA C 13 54.073 . . . . . . . A 30 ARG CA . 30661 1 170 . 1 . 1 30 30 ARG CB C 13 33.722 . . . . . . . A 30 ARG CB . 30661 1 171 . 1 . 1 30 30 ARG N N 15 123.767 . . . . . . . A 30 ARG N . 30661 1 172 . 1 . 1 31 31 ALA H H 1 8.788 . . . . . . . A 31 ALA H . 30661 1 173 . 1 . 1 31 31 ALA HA H 1 4.135 . . . . . . . A 31 ALA HA . 30661 1 174 . 1 . 1 31 31 ALA C C 13 178.855 . . . . . . . A 31 ALA C . 30661 1 175 . 1 . 1 31 31 ALA CA C 13 52.563 . . . . . . . A 31 ALA CA . 30661 1 176 . 1 . 1 31 31 ALA CB C 13 19.136 . . . . . . . A 31 ALA CB . 30661 1 177 . 1 . 1 31 31 ALA N N 15 126.710 . . . . . . . A 31 ALA N . 30661 1 178 . 1 . 1 32 32 GLN H H 1 8.792 . . . . . . . A 32 GLN H . 30661 1 179 . 1 . 1 32 32 GLN HA H 1 4.111 . . . . . . . A 32 GLN HA . 30661 1 180 . 1 . 1 32 32 GLN C C 13 176.583 . . . . . . . A 32 GLN C . 30661 1 181 . 1 . 1 32 32 GLN CA C 13 57.381 . . . . . . . A 32 GLN CA . 30661 1 182 . 1 . 1 32 32 GLN CB C 13 29.390 . . . . . . . A 32 GLN CB . 30661 1 183 . 1 . 1 32 32 GLN N N 15 121.255 . . . . . . . A 32 GLN N . 30661 1 184 . 1 . 1 33 33 GLU H H 1 8.753 . . . . . . . A 33 GLU H . 30661 1 185 . 1 . 1 33 33 GLU HA H 1 4.160 . . . . . . . A 33 GLU HA . 30661 1 186 . 1 . 1 33 33 GLU C C 13 176.876 . . . . . . . A 33 GLU C . 30661 1 187 . 1 . 1 33 33 GLU CA C 13 57.199 . . . . . . . A 33 GLU CA . 30661 1 188 . 1 . 1 33 33 GLU CB C 13 29.217 . . . . . . . A 33 GLU CB . 30661 1 189 . 1 . 1 33 33 GLU N N 15 118.955 . . . . . . . A 33 GLU N . 30661 1 190 . 1 . 1 34 34 GLY H H 1 7.936 . . . . . . . A 34 GLY H . 30661 1 191 . 1 . 1 34 34 GLY C C 13 174.346 . . . . . . . A 34 GLY C . 30661 1 192 . 1 . 1 34 34 GLY CA C 13 45.417 . . . . . . . A 34 GLY CA . 30661 1 193 . 1 . 1 34 34 GLY N N 15 107.893 . . . . . . . A 34 GLY N . 30661 1 194 . 1 . 1 35 35 GLN H H 1 8.324 . . . . . . . A 35 GLN H . 30661 1 195 . 1 . 1 35 35 GLN HA H 1 4.354 . . . . . . . A 35 GLN HA . 30661 1 196 . 1 . 1 35 35 GLN C C 13 175.897 . . . . . . . A 35 GLN C . 30661 1 197 . 1 . 1 35 35 GLN CA C 13 55.606 . . . . . . . A 35 GLN CA . 30661 1 198 . 1 . 1 35 35 GLN CB C 13 29.582 . . . . . . . A 35 GLN CB . 30661 1 199 . 1 . 1 35 35 GLN N N 15 116.859 . . . . . . . A 35 GLN N . 30661 1 200 . 1 . 1 36 36 THR H H 1 8.036 . . . . . . . A 36 THR H . 30661 1 201 . 1 . 1 36 36 THR CA C 13 60.870 . . . . . . . A 36 THR CA . 30661 1 202 . 1 . 1 36 36 THR CB C 13 69.652 . . . . . . . A 36 THR CB . 30661 1 203 . 1 . 1 36 36 THR N N 15 119.108 . . . . . . . A 36 THR N . 30661 1 204 . 1 . 1 37 37 PRO HA H 1 4.081 . . . . . . . A 37 PRO HA . 30661 1 205 . 1 . 1 37 37 PRO C C 13 173.136 . . . . . . . A 37 PRO C . 30661 1 206 . 1 . 1 37 37 PRO CA C 13 62.665 . . . . . . . A 37 PRO CA . 30661 1 207 . 1 . 1 37 37 PRO CB C 13 32.147 . . . . . . . A 37 PRO CB . 30661 1 208 . 1 . 1 38 38 ASP H H 1 7.886 . . . . . . . A 38 ASP H . 30661 1 209 . 1 . 1 38 38 ASP HA H 1 4.324 . . . . . . . A 38 ASP HA . 30661 1 210 . 1 . 1 38 38 ASP C C 13 177.628 . . . . . . . A 38 ASP C . 30661 1 211 . 1 . 1 38 38 ASP CA C 13 52.963 . . . . . . . A 38 ASP CA . 30661 1 212 . 1 . 1 38 38 ASP CB C 13 40.675 . . . . . . . A 38 ASP CB . 30661 1 213 . 1 . 1 38 38 ASP N N 15 116.393 . . . . . . . A 38 ASP N . 30661 1 214 . 1 . 1 39 39 TYR H H 1 9.658 . . . . . . . A 39 TYR H . 30661 1 215 . 1 . 1 39 39 TYR HA H 1 4.347 . . . . . . . A 39 TYR HA . 30661 1 216 . 1 . 1 39 39 TYR C C 13 176.693 . . . . . . . A 39 TYR C . 30661 1 217 . 1 . 1 39 39 TYR CA C 13 60.026 . . . . . . . A 39 TYR CA . 30661 1 218 . 1 . 1 39 39 TYR CB C 13 39.217 . . . . . . . A 39 TYR CB . 30661 1 219 . 1 . 1 39 39 TYR N N 15 126.369 . . . . . . . A 39 TYR N . 30661 1 220 . 1 . 1 40 40 LEU H H 1 8.572 . . . . . . . A 40 LEU H . 30661 1 221 . 1 . 1 40 40 LEU CA C 13 61.151 . . . . . . . A 40 LEU CA . 30661 1 222 . 1 . 1 40 40 LEU CB C 13 38.489 . . . . . . . A 40 LEU CB . 30661 1 223 . 1 . 1 40 40 LEU N N 15 122.287 . . . . . . . A 40 LEU N . 30661 1 224 . 1 . 1 41 41 PRO HA H 1 4.046 . . . . . . . A 41 PRO HA . 30661 1 225 . 1 . 1 41 41 PRO C C 13 179.933 . . . . . . . A 41 PRO C . 30661 1 226 . 1 . 1 41 41 PRO CA C 13 66.666 . . . . . . . A 41 PRO CA . 30661 1 227 . 1 . 1 41 41 PRO CB C 13 31.050 . . . . . . . A 41 PRO CB . 30661 1 228 . 1 . 1 42 42 THR H H 1 7.370 . . . . . . . A 42 THR H . 30661 1 229 . 1 . 1 42 42 THR HA H 1 3.695 . . . . . . . A 42 THR HA . 30661 1 230 . 1 . 1 42 42 THR C C 13 176.433 . . . . . . . A 42 THR C . 30661 1 231 . 1 . 1 42 42 THR CA C 13 66.300 . . . . . . . A 42 THR CA . 30661 1 232 . 1 . 1 42 42 THR CB C 13 68.832 . . . . . . . A 42 THR CB . 30661 1 233 . 1 . 1 42 42 THR N N 15 114.269 . . . . . . . A 42 THR N . 30661 1 234 . 1 . 1 43 43 LEU H H 1 8.359 . . . . . . . A 43 LEU H . 30661 1 235 . 1 . 1 43 43 LEU HA H 1 3.769 . . . . . . . A 43 LEU HA . 30661 1 236 . 1 . 1 43 43 LEU C C 13 177.880 . . . . . . . A 43 LEU C . 30661 1 237 . 1 . 1 43 43 LEU CA C 13 57.898 . . . . . . . A 43 LEU CA . 30661 1 238 . 1 . 1 43 43 LEU CB C 13 41.541 . . . . . . . A 43 LEU CB . 30661 1 239 . 1 . 1 43 43 LEU N N 15 121.617 . . . . . . . A 43 LEU N . 30661 1 240 . 1 . 1 44 44 ARG H H 1 9.029 . . . . . . . A 44 ARG H . 30661 1 241 . 1 . 1 44 44 ARG HA H 1 3.486 . . . . . . . A 44 ARG HA . 30661 1 242 . 1 . 1 44 44 ARG C C 13 177.072 . . . . . . . A 44 ARG C . 30661 1 243 . 1 . 1 44 44 ARG CA C 13 60.447 . . . . . . . A 44 ARG CA . 30661 1 244 . 1 . 1 44 44 ARG CB C 13 30.240 . . . . . . . A 44 ARG CB . 30661 1 245 . 1 . 1 44 44 ARG N N 15 119.994 . . . . . . . A 44 ARG N . 30661 1 246 . 1 . 1 45 45 LYS H H 1 7.334 . . . . . . . A 45 LYS H . 30661 1 247 . 1 . 1 45 45 LYS HA H 1 3.842 . . . . . . . A 45 LYS HA . 30661 1 248 . 1 . 1 45 45 LYS C C 13 179.152 . . . . . . . A 45 LYS C . 30661 1 249 . 1 . 1 45 45 LYS CA C 13 59.795 . . . . . . . A 45 LYS CA . 30661 1 250 . 1 . 1 45 45 LYS CB C 13 32.471 . . . . . . . A 45 LYS CB . 30661 1 251 . 1 . 1 45 45 LYS N N 15 117.404 . . . . . . . A 45 LYS N . 30661 1 252 . 1 . 1 46 46 ALA H H 1 7.883 . . . . . . . A 46 ALA H . 30661 1 253 . 1 . 1 46 46 ALA HA H 1 4.092 . . . . . . . A 46 ALA HA . 30661 1 254 . 1 . 1 46 46 ALA C C 13 180.706 . . . . . . . A 46 ALA C . 30661 1 255 . 1 . 1 46 46 ALA CA C 13 54.696 . . . . . . . A 46 ALA CA . 30661 1 256 . 1 . 1 46 46 ALA CB C 13 19.075 . . . . . . . A 46 ALA CB . 30661 1 257 . 1 . 1 46 46 ALA N N 15 120.346 . . . . . . . A 46 ALA N . 30661 1 258 . 1 . 1 47 47 LEU H H 1 8.741 . . . . . . . A 47 LEU H . 30661 1 259 . 1 . 1 47 47 LEU HA H 1 3.905 . . . . . . . A 47 LEU HA . 30661 1 260 . 1 . 1 47 47 LEU C C 13 178.724 . . . . . . . A 47 LEU C . 30661 1 261 . 1 . 1 47 47 LEU CA C 13 57.194 . . . . . . . A 47 LEU CA . 30661 1 262 . 1 . 1 47 47 LEU CB C 13 41.086 . . . . . . . A 47 LEU CB . 30661 1 263 . 1 . 1 47 47 LEU N N 15 118.068 . . . . . . . A 47 LEU N . 30661 1 264 . 1 . 1 48 48 MET H H 1 8.116 . . . . . . . A 48 MET H . 30661 1 265 . 1 . 1 48 48 MET HA H 1 4.116 . . . . . . . A 48 MET HA . 30661 1 266 . 1 . 1 48 48 MET C C 13 179.196 . . . . . . . A 48 MET C . 30661 1 267 . 1 . 1 48 48 MET CA C 13 58.194 . . . . . . . A 48 MET CA . 30661 1 268 . 1 . 1 48 48 MET CB C 13 30.514 . . . . . . . A 48 MET CB . 30661 1 269 . 1 . 1 48 48 MET N N 15 117.872 . . . . . . . A 48 MET N . 30661 1 270 . 1 . 1 49 49 GLU H H 1 7.557 . . . . . . . A 49 GLU H . 30661 1 271 . 1 . 1 49 49 GLU HA H 1 4.013 . . . . . . . A 49 GLU HA . 30661 1 272 . 1 . 1 49 49 GLU C C 13 179.083 . . . . . . . A 49 GLU C . 30661 1 273 . 1 . 1 49 49 GLU CA C 13 59.606 . . . . . . . A 49 GLU CA . 30661 1 274 . 1 . 1 49 49 GLU CB C 13 29.354 . . . . . . . A 49 GLU CB . 30661 1 275 . 1 . 1 49 49 GLU N N 15 119.623 . . . . . . . A 49 GLU N . 30661 1 276 . 1 . 1 50 50 VAL H H 1 7.910 . . . . . . . A 50 VAL H . 30661 1 277 . 1 . 1 50 50 VAL HA H 1 3.762 . . . . . . . A 50 VAL HA . 30661 1 278 . 1 . 1 50 50 VAL C C 13 178.125 . . . . . . . A 50 VAL C . 30661 1 279 . 1 . 1 50 50 VAL CA C 13 66.280 . . . . . . . A 50 VAL CA . 30661 1 280 . 1 . 1 50 50 VAL CB C 13 32.073 . . . . . . . A 50 VAL CB . 30661 1 281 . 1 . 1 50 50 VAL N N 15 119.490 . . . . . . . A 50 VAL N . 30661 1 282 . 1 . 1 51 51 LEU H H 1 8.668 . . . . . . . A 51 LEU H . 30661 1 283 . 1 . 1 51 51 LEU HA H 1 3.800 . . . . . . . A 51 LEU HA . 30661 1 284 . 1 . 1 51 51 LEU C C 13 178.845 . . . . . . . A 51 LEU C . 30661 1 285 . 1 . 1 51 51 LEU CA C 13 58.116 . . . . . . . A 51 LEU CA . 30661 1 286 . 1 . 1 51 51 LEU CB C 13 41.397 . . . . . . . A 51 LEU CB . 30661 1 287 . 1 . 1 51 51 LEU N N 15 119.663 . . . . . . . A 51 LEU N . 30661 1 288 . 1 . 1 52 52 SER H H 1 7.915 . . . . . . . A 52 SER H . 30661 1 289 . 1 . 1 52 52 SER HA H 1 4.276 . . . . . . . A 52 SER HA . 30661 1 290 . 1 . 1 52 52 SER C C 13 176.032 . . . . . . . A 52 SER C . 30661 1 291 . 1 . 1 52 52 SER CA C 13 61.435 . . . . . . . A 52 SER CA . 30661 1 292 . 1 . 1 52 52 SER CB C 13 63.231 . . . . . . . A 52 SER CB . 30661 1 293 . 1 . 1 52 52 SER N N 15 113.262 . . . . . . . A 52 SER N . 30661 1 294 . 1 . 1 53 53 LYS H H 1 7.693 . . . . . . . A 53 LYS H . 30661 1 295 . 1 . 1 53 53 LYS HA H 1 3.920 . . . . . . . A 53 LYS HA . 30661 1 296 . 1 . 1 53 53 LYS C C 13 178.027 . . . . . . . A 53 LYS C . 30661 1 297 . 1 . 1 53 53 LYS CA C 13 58.611 . . . . . . . A 53 LYS CA . 30661 1 298 . 1 . 1 53 53 LYS CB C 13 33.172 . . . . . . . A 53 LYS CB . 30661 1 299 . 1 . 1 53 53 LYS N N 15 118.754 . . . . . . . A 53 LYS N . 30661 1 300 . 1 . 1 54 54 TYR H H 1 8.053 . . . . . . . A 54 TYR H . 30661 1 301 . 1 . 1 54 54 TYR HA H 1 4.621 . . . . . . . A 54 TYR HA . 30661 1 302 . 1 . 1 54 54 TYR C C 13 175.911 . . . . . . . A 54 TYR C . 30661 1 303 . 1 . 1 54 54 TYR CA C 13 59.829 . . . . . . . A 54 TYR CA . 30661 1 304 . 1 . 1 54 54 TYR CB C 13 39.828 . . . . . . . A 54 TYR CB . 30661 1 305 . 1 . 1 54 54 TYR N N 15 113.365 . . . . . . . A 54 TYR N . 30661 1 306 . 1 . 1 55 55 VAL H H 1 7.865 . . . . . . . A 55 VAL H . 30661 1 307 . 1 . 1 55 55 VAL HA H 1 4.028 . . . . . . . A 55 VAL HA . 30661 1 308 . 1 . 1 55 55 VAL C C 13 174.721 . . . . . . . A 55 VAL C . 30661 1 309 . 1 . 1 55 55 VAL CA C 13 61.649 . . . . . . . A 55 VAL CA . 30661 1 310 . 1 . 1 55 55 VAL CB C 13 32.195 . . . . . . . A 55 VAL CB . 30661 1 311 . 1 . 1 55 55 VAL N N 15 117.865 . . . . . . . A 55 VAL N . 30661 1 312 . 1 . 1 56 56 ASN H H 1 7.774 . . . . . . . A 56 ASN H . 30661 1 313 . 1 . 1 56 56 ASN HA H 1 4.510 . . . . . . . A 56 ASN HA . 30661 1 314 . 1 . 1 56 56 ASN C C 13 174.243 . . . . . . . A 56 ASN C . 30661 1 315 . 1 . 1 56 56 ASN CA C 13 53.904 . . . . . . . A 56 ASN CA . 30661 1 316 . 1 . 1 56 56 ASN CB C 13 37.159 . . . . . . . A 56 ASN CB . 30661 1 317 . 1 . 1 56 56 ASN N N 15 117.890 . . . . . . . A 56 ASN N . 30661 1 318 . 1 . 1 57 57 VAL H H 1 7.352 . . . . . . . A 57 VAL H . 30661 1 319 . 1 . 1 57 57 VAL HA H 1 4.348 . . . . . . . A 57 VAL HA . 30661 1 320 . 1 . 1 57 57 VAL C C 13 174.746 . . . . . . . A 57 VAL C . 30661 1 321 . 1 . 1 57 57 VAL CA C 13 60.058 . . . . . . . A 57 VAL CA . 30661 1 322 . 1 . 1 57 57 VAL CB C 13 34.115 . . . . . . . A 57 VAL CB . 30661 1 323 . 1 . 1 57 57 VAL N N 15 114.910 . . . . . . . A 57 VAL N . 30661 1 324 . 1 . 1 58 58 SER H H 1 8.535 . . . . . . . A 58 SER H . 30661 1 325 . 1 . 1 58 58 SER HA H 1 4.428 . . . . . . . A 58 SER HA . 30661 1 326 . 1 . 1 58 58 SER C C 13 175.983 . . . . . . . A 58 SER C . 30661 1 327 . 1 . 1 58 58 SER CA C 13 57.454 . . . . . . . A 58 SER CA . 30661 1 328 . 1 . 1 58 58 SER CB C 13 64.469 . . . . . . . A 58 SER CB . 30661 1 329 . 1 . 1 58 58 SER N N 15 119.253 . . . . . . . A 58 SER N . 30661 1 330 . 1 . 1 59 59 LEU H H 1 8.603 . . . . . . . A 59 LEU H . 30661 1 331 . 1 . 1 59 59 LEU HA H 1 3.905 . . . . . . . A 59 LEU HA . 30661 1 332 . 1 . 1 59 59 LEU C C 13 178.491 . . . . . . . A 59 LEU C . 30661 1 333 . 1 . 1 59 59 LEU CA C 13 57.819 . . . . . . . A 59 LEU CA . 30661 1 334 . 1 . 1 59 59 LEU CB C 13 41.431 . . . . . . . A 59 LEU CB . 30661 1 335 . 1 . 1 59 59 LEU N N 15 123.325 . . . . . . . A 59 LEU N . 30661 1 336 . 1 . 1 60 60 ASP H H 1 8.259 . . . . . . . A 60 ASP H . 30661 1 337 . 1 . 1 60 60 ASP HA H 1 4.344 . . . . . . . A 60 ASP HA . 30661 1 338 . 1 . 1 60 60 ASP C C 13 176.644 . . . . . . . A 60 ASP C . 30661 1 339 . 1 . 1 60 60 ASP CA C 13 55.799 . . . . . . . A 60 ASP CA . 30661 1 340 . 1 . 1 60 60 ASP CB C 13 40.068 . . . . . . . A 60 ASP CB . 30661 1 341 . 1 . 1 60 60 ASP N N 15 115.730 . . . . . . . A 60 ASP N . 30661 1 342 . 1 . 1 61 61 ASN H H 1 7.957 . . . . . . . A 61 ASN H . 30661 1 343 . 1 . 1 61 61 ASN HA H 1 4.799 . . . . . . . A 61 ASN HA . 30661 1 344 . 1 . 1 61 61 ASN C C 13 173.605 . . . . . . . A 61 ASN C . 30661 1 345 . 1 . 1 61 61 ASN CA C 13 53.490 . . . . . . . A 61 ASN CA . 30661 1 346 . 1 . 1 61 61 ASN CB C 13 39.835 . . . . . . . A 61 ASN CB . 30661 1 347 . 1 . 1 61 61 ASN N N 15 116.605 . . . . . . . A 61 ASN N . 30661 1 348 . 1 . 1 62 62 ILE H H 1 7.457 . . . . . . . A 62 ILE H . 30661 1 349 . 1 . 1 62 62 ILE HA H 1 4.372 . . . . . . . A 62 ILE HA . 30661 1 350 . 1 . 1 62 62 ILE C C 13 174.393 . . . . . . . A 62 ILE C . 30661 1 351 . 1 . 1 62 62 ILE CA C 13 61.525 . . . . . . . A 62 ILE CA . 30661 1 352 . 1 . 1 62 62 ILE CB C 13 39.665 . . . . . . . A 62 ILE CB . 30661 1 353 . 1 . 1 62 62 ILE N N 15 119.586 . . . . . . . A 62 ILE N . 30661 1 354 . 1 . 1 63 63 ARG H H 1 8.667 . . . . . . . A 63 ARG H . 30661 1 355 . 1 . 1 63 63 ARG HA H 1 4.645 . . . . . . . A 63 ARG HA . 30661 1 356 . 1 . 1 63 63 ARG C C 13 175.737 . . . . . . . A 63 ARG C . 30661 1 357 . 1 . 1 63 63 ARG CA C 13 55.266 . . . . . . . A 63 ARG CA . 30661 1 358 . 1 . 1 63 63 ARG CB C 13 31.914 . . . . . . . A 63 ARG CB . 30661 1 359 . 1 . 1 63 63 ARG N N 15 127.874 . . . . . . . A 63 ARG N . 30661 1 360 . 1 . 1 64 64 ILE H H 1 8.857 . . . . . . . A 64 ILE H . 30661 1 361 . 1 . 1 64 64 ILE HA H 1 5.047 . . . . . . . A 64 ILE HA . 30661 1 362 . 1 . 1 64 64 ILE C C 13 175.704 . . . . . . . A 64 ILE C . 30661 1 363 . 1 . 1 64 64 ILE CA C 13 60.704 . . . . . . . A 64 ILE CA . 30661 1 364 . 1 . 1 64 64 ILE CB C 13 40.541 . . . . . . . A 64 ILE CB . 30661 1 365 . 1 . 1 64 64 ILE N N 15 127.075 . . . . . . . A 64 ILE N . 30661 1 366 . 1 . 1 65 65 SER H H 1 9.175 . . . . . . . A 65 SER H . 30661 1 367 . 1 . 1 65 65 SER HA H 1 3.748 . . . . . . . A 65 SER HA . 30661 1 368 . 1 . 1 65 65 SER C C 13 171.935 . . . . . . . A 65 SER C . 30661 1 369 . 1 . 1 65 65 SER CA C 13 57.309 . . . . . . . A 65 SER CA . 30661 1 370 . 1 . 1 65 65 SER CB C 13 65.603 . . . . . . . A 65 SER CB . 30661 1 371 . 1 . 1 65 65 SER N N 15 123.161 . . . . . . . A 65 SER N . 30661 1 372 . 1 . 1 66 66 GLN H H 1 8.604 . . . . . . . A 66 GLN H . 30661 1 373 . 1 . 1 66 66 GLN HA H 1 5.418 . . . . . . . A 66 GLN HA . 30661 1 374 . 1 . 1 66 66 GLN C C 13 174.692 . . . . . . . A 66 GLN C . 30661 1 375 . 1 . 1 66 66 GLN CA C 13 54.940 . . . . . . . A 66 GLN CA . 30661 1 376 . 1 . 1 66 66 GLN CB C 13 32.309 . . . . . . . A 66 GLN CB . 30661 1 377 . 1 . 1 66 66 GLN N N 15 122.782 . . . . . . . A 66 GLN N . 30661 1 378 . 1 . 1 67 67 GLU H H 1 8.932 . . . . . . . A 67 GLU H . 30661 1 379 . 1 . 1 67 67 GLU C C 13 174.500 . . . . . . . A 67 GLU C . 30661 1 380 . 1 . 1 67 67 GLU CA C 13 55.174 . . . . . . . A 67 GLU CA . 30661 1 381 . 1 . 1 67 67 GLU CB C 13 34.976 . . . . . . . A 67 GLU CB . 30661 1 382 . 1 . 1 67 67 GLU N N 15 122.958 . . . . . . . A 67 GLU N . 30661 1 383 . 1 . 1 68 68 LYS H H 1 8.670 . . . . . . . A 68 LYS H . 30661 1 384 . 1 . 1 68 68 LYS C C 13 175.544 . . . . . . . A 68 LYS C . 30661 1 385 . 1 . 1 68 68 LYS CA C 13 55.743 . . . . . . . A 68 LYS CA . 30661 1 386 . 1 . 1 68 68 LYS CB C 13 35.823 . . . . . . . A 68 LYS CB . 30661 1 387 . 1 . 1 68 68 LYS N N 15 123.481 . . . . . . . A 68 LYS N . 30661 1 388 . 1 . 1 69 69 GLN H H 1 8.758 . . . . . . . A 69 GLN H . 30661 1 389 . 1 . 1 69 69 GLN HA H 1 4.334 . . . . . . . A 69 GLN HA . 30661 1 390 . 1 . 1 69 69 GLN C C 13 174.504 . . . . . . . A 69 GLN C . 30661 1 391 . 1 . 1 69 69 GLN CA C 13 55.636 . . . . . . . A 69 GLN CA . 30661 1 392 . 1 . 1 69 69 GLN CB C 13 31.811 . . . . . . . A 69 GLN CB . 30661 1 393 . 1 . 1 69 69 GLN N N 15 124.507 . . . . . . . A 69 GLN N . 30661 1 394 . 1 . 1 70 70 ASP H H 1 9.149 . . . . . . . A 70 ASP H . 30661 1 395 . 1 . 1 70 70 ASP HA H 1 4.144 . . . . . . . A 70 ASP HA . 30661 1 396 . 1 . 1 70 70 ASP C C 13 175.863 . . . . . . . A 70 ASP C . 30661 1 397 . 1 . 1 70 70 ASP CA C 13 56.449 . . . . . . . A 70 ASP CA . 30661 1 398 . 1 . 1 70 70 ASP CB C 13 39.960 . . . . . . . A 70 ASP CB . 30661 1 399 . 1 . 1 70 70 ASP N N 15 125.533 . . . . . . . A 70 ASP N . 30661 1 400 . 1 . 1 71 71 GLY H H 1 8.608 . . . . . . . A 71 GLY H . 30661 1 401 . 1 . 1 71 71 GLY C C 13 173.405 . . . . . . . A 71 GLY C . 30661 1 402 . 1 . 1 71 71 GLY CA C 13 46.031 . . . . . . . A 71 GLY CA . 30661 1 403 . 1 . 1 71 71 GLY N N 15 110.171 . . . . . . . A 71 GLY N . 30661 1 404 . 1 . 1 72 72 MET H H 1 8.248 . . . . . . . A 72 MET H . 30661 1 405 . 1 . 1 72 72 MET C C 13 173.590 . . . . . . . A 72 MET C . 30661 1 406 . 1 . 1 72 72 MET CA C 13 54.780 . . . . . . . A 72 MET CA . 30661 1 407 . 1 . 1 72 72 MET CB C 13 35.489 . . . . . . . A 72 MET CB . 30661 1 408 . 1 . 1 72 72 MET N N 15 121.228 . . . . . . . A 72 MET N . 30661 1 409 . 1 . 1 73 73 ASP H H 1 8.757 . . . . . . . A 73 ASP H . 30661 1 410 . 1 . 1 73 73 ASP HA H 1 5.223 . . . . . . . A 73 ASP HA . 30661 1 411 . 1 . 1 73 73 ASP C C 13 174.694 . . . . . . . A 73 ASP C . 30661 1 412 . 1 . 1 73 73 ASP CA C 13 53.667 . . . . . . . A 73 ASP CA . 30661 1 413 . 1 . 1 73 73 ASP CB C 13 45.585 . . . . . . . A 73 ASP CB . 30661 1 414 . 1 . 1 73 73 ASP N N 15 124.334 . . . . . . . A 73 ASP N . 30661 1 415 . 1 . 1 74 74 VAL H H 1 8.862 . . . . . . . A 74 VAL H . 30661 1 416 . 1 . 1 74 74 VAL HA H 1 5.041 . . . . . . . A 74 VAL HA . 30661 1 417 . 1 . 1 74 74 VAL C C 13 173.602 . . . . . . . A 74 VAL C . 30661 1 418 . 1 . 1 74 74 VAL CA C 13 60.943 . . . . . . . A 74 VAL CA . 30661 1 419 . 1 . 1 74 74 VAL CB C 13 35.708 . . . . . . . A 74 VAL CB . 30661 1 420 . 1 . 1 74 74 VAL N N 15 120.593 . . . . . . . A 74 VAL N . 30661 1 421 . 1 . 1 75 75 LEU H H 1 9.365 . . . . . . . A 75 LEU H . 30661 1 422 . 1 . 1 75 75 LEU HA H 1 5.012 . . . . . . . A 75 LEU HA . 30661 1 423 . 1 . 1 75 75 LEU C C 13 173.361 . . . . . . . A 75 LEU C . 30661 1 424 . 1 . 1 75 75 LEU CA C 13 53.424 . . . . . . . A 75 LEU CA . 30661 1 425 . 1 . 1 75 75 LEU CB C 13 46.409 . . . . . . . A 75 LEU CB . 30661 1 426 . 1 . 1 75 75 LEU N N 15 129.872 . . . . . . . A 75 LEU N . 30661 1 427 . 1 . 1 76 76 GLU H H 1 9.306 . . . . . . . A 76 GLU H . 30661 1 428 . 1 . 1 76 76 GLU HA H 1 5.229 . . . . . . . A 76 GLU HA . 30661 1 429 . 1 . 1 76 76 GLU C C 13 174.489 . . . . . . . A 76 GLU C . 30661 1 430 . 1 . 1 76 76 GLU CA C 13 54.341 . . . . . . . A 76 GLU CA . 30661 1 431 . 1 . 1 76 76 GLU CB C 13 33.189 . . . . . . . A 76 GLU CB . 30661 1 432 . 1 . 1 76 76 GLU N N 15 126.659 . . . . . . . A 76 GLU N . 30661 1 433 . 1 . 1 77 77 LEU H H 1 9.636 . . . . . . . A 77 LEU H . 30661 1 434 . 1 . 1 77 77 LEU HA H 1 5.169 . . . . . . . A 77 LEU HA . 30661 1 435 . 1 . 1 77 77 LEU C C 13 175.153 . . . . . . . A 77 LEU C . 30661 1 436 . 1 . 1 77 77 LEU CA C 13 54.156 . . . . . . . A 77 LEU CA . 30661 1 437 . 1 . 1 77 77 LEU CB C 13 43.948 . . . . . . . A 77 LEU CB . 30661 1 438 . 1 . 1 77 77 LEU N N 15 126.185 . . . . . . . A 77 LEU N . 30661 1 439 . 1 . 1 78 78 ASN H H 1 9.079 . . . . . . . A 78 ASN H . 30661 1 440 . 1 . 1 78 78 ASN HA H 1 5.175 . . . . . . . A 78 ASN HA . 30661 1 441 . 1 . 1 78 78 ASN C C 13 174.283 . . . . . . . A 78 ASN C . 30661 1 442 . 1 . 1 78 78 ASN CA C 13 53.472 . . . . . . . A 78 ASN CA . 30661 1 443 . 1 . 1 78 78 ASN CB C 13 42.056 . . . . . . . A 78 ASN CB . 30661 1 444 . 1 . 1 78 78 ASN N N 15 122.151 . . . . . . . A 78 ASN N . 30661 1 445 . 1 . 1 79 79 ILE H H 1 9.115 . . . . . . . A 79 ILE H . 30661 1 446 . 1 . 1 79 79 ILE HA H 1 4.697 . . . . . . . A 79 ILE HA . 30661 1 447 . 1 . 1 79 79 ILE C C 13 175.047 . . . . . . . A 79 ILE C . 30661 1 448 . 1 . 1 79 79 ILE CA C 13 60.645 . . . . . . . A 79 ILE CA . 30661 1 449 . 1 . 1 79 79 ILE CB C 13 41.213 . . . . . . . A 79 ILE CB . 30661 1 450 . 1 . 1 79 79 ILE N N 15 125.673 . . . . . . . A 79 ILE N . 30661 1 451 . 1 . 1 80 80 THR H H 1 8.674 . . . . . . . A 80 THR H . 30661 1 452 . 1 . 1 80 80 THR HA H 1 4.022 . . . . . . . A 80 THR HA . 30661 1 453 . 1 . 1 80 80 THR C C 13 173.721 . . . . . . . A 80 THR C . 30661 1 454 . 1 . 1 80 80 THR CA C 13 62.693 . . . . . . . A 80 THR CA . 30661 1 455 . 1 . 1 80 80 THR CB C 13 69.321 . . . . . . . A 80 THR CB . 30661 1 456 . 1 . 1 80 80 THR N N 15 124.948 . . . . . . . A 80 THR N . 30661 1 457 . 1 . 1 81 81 LEU H H 1 8.052 . . . . . . . A 81 LEU H . 30661 1 458 . 1 . 1 81 81 LEU CA C 13 53.028 . . . . . . . A 81 LEU CA . 30661 1 459 . 1 . 1 81 81 LEU CB C 13 40.230 . . . . . . . A 81 LEU CB . 30661 1 460 . 1 . 1 81 81 LEU N N 15 127.843 . . . . . . . A 81 LEU N . 30661 1 stop_ save_