data_25296 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25296 _Entry.Title ; Hha-H-NS46 charge zipper complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-24 _Entry.Accession_date 2014-10-24 _Entry.Last_release_date 2015-07-27 _Entry.Original_release_date 2015-07-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 . 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 Tiago Cordeiro . N. . . 25296 2 Jesus Garcia . . . . 25296 3 Pau Bernado . . . . 25296 4 Oscar Millet . . . . 25296 5 Miquel Pons . . . . 25296 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' . 25296 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Charge-zipper complex' . 25296 'Electrostatic-driven function' . 25296 'Nucleoid-associated Proteins' . 25296 'Salt-dependent dynamics' . 25296 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25296 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 115 25296 '1H chemical shifts' 120 25296 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 . . 2018-01-03 2014-10-24 update BMRB 'update entry citation' 25296 1 . . 2015-07-27 2014-10-24 original author 'original release' 25296 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5166 'Assigned Chemical shifts of unbound Hha' 25296 PDB 1NI8 'Structure of unbound HNS46' 25296 PDB 1jw2 'Structure of unbound Hha' 25296 PDB 2MW2 'BMRB Entry Tracking System' 25296 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25296 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M114.630400 _Citation.PubMed_ID 26085102 _Citation.Full_citation . _Citation.Title ; A Three-protein Charge Zipper Stabilizes a Complex Modulating Bacterial Gene Silencing. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 290 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 21200 _Citation.Page_last 21212 _Citation.Year 2015 _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 Tiago Cordeiro . N. . . 25296 1 2 Jesus Garcia . . . . 25296 1 3 Pau Bernado . . . . 25296 1 4 Oscar Millet . . . . 25296 1 5 Miquel Pons . . . . 25296 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25296 _Assembly.ID 1 _Assembly.Name 'Hha-H-NS46 charge zipper complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 $entity_1 A . yes native no no . . . 25296 1 2 entity_2_1 2 $entity_2 B . yes native no no . . . 25296 1 3 entity_2_2 2 $entity_2 C . yes native no no . . . 25296 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25296 _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 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EKLTKTDYLMRLRRCQTIDT LERVIEKNKYELSDNELAVF YSAADHRLAELTMNKLYDKI PSSVWKFIR ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment Hha _Entity.Mutation 'Native C18 was mutated to isoleucine to avoid MTSL exchange.' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8068.402 _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 3 GLU . 25296 1 2 4 LYS . 25296 1 3 6 LEU . 25296 1 4 7 THR . 25296 1 5 8 LYS . 25296 1 6 9 THR . 25296 1 7 10 ASP . 25296 1 8 11 TYR . 25296 1 9 12 LEU . 25296 1 10 13 MET . 25296 1 11 14 ARG . 25296 1 12 15 LEU . 25296 1 13 16 ARG . 25296 1 14 17 ARG . 25296 1 15 18 CYS . 25296 1 16 19 GLN . 25296 1 17 20 THR . 25296 1 18 21 ILE . 25296 1 19 22 ASP . 25296 1 20 23 THR . 25296 1 21 24 LEU . 25296 1 22 25 GLU . 25296 1 23 26 ARG . 25296 1 24 27 VAL . 25296 1 25 28 ILE . 25296 1 26 29 GLU . 25296 1 27 30 LYS . 25296 1 28 31 ASN . 25296 1 29 32 LYS . 25296 1 30 33 TYR . 25296 1 31 34 GLU . 25296 1 32 35 LEU . 25296 1 33 36 SER . 25296 1 34 37 ASP . 25296 1 35 38 ASN . 25296 1 36 39 GLU . 25296 1 37 40 LEU . 25296 1 38 41 ALA . 25296 1 39 42 VAL . 25296 1 40 43 PHE . 25296 1 41 44 TYR . 25296 1 42 45 SER . 25296 1 43 46 ALA . 25296 1 44 47 ALA . 25296 1 45 48 ASP . 25296 1 46 49 HIS . 25296 1 47 50 ARG . 25296 1 48 51 LEU . 25296 1 49 52 ALA . 25296 1 50 53 GLU . 25296 1 51 54 LEU . 25296 1 52 55 THR . 25296 1 53 56 MET . 25296 1 54 57 ASN . 25296 1 55 58 LYS . 25296 1 56 59 LEU . 25296 1 57 60 TYR . 25296 1 58 61 ASP . 25296 1 59 62 LYS . 25296 1 60 63 ILE . 25296 1 61 64 PRO . 25296 1 62 65 SER . 25296 1 63 66 SER . 25296 1 64 67 VAL . 25296 1 65 68 TRP . 25296 1 66 69 LYS . 25296 1 67 70 PHE . 25296 1 68 71 ILE . 25296 1 69 72 ARG . 25296 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 . GLU 1 1 25296 1 . LYS 2 2 25296 1 . LEU 3 3 25296 1 . THR 4 4 25296 1 . LYS 5 5 25296 1 . THR 6 6 25296 1 . ASP 7 7 25296 1 . TYR 8 8 25296 1 . LEU 9 9 25296 1 . MET 10 10 25296 1 . ARG 11 11 25296 1 . LEU 12 12 25296 1 . ARG 13 13 25296 1 . ARG 14 14 25296 1 . CYS 15 15 25296 1 . GLN 16 16 25296 1 . THR 17 17 25296 1 . ILE 18 18 25296 1 . ASP 19 19 25296 1 . THR 20 20 25296 1 . LEU 21 21 25296 1 . GLU 22 22 25296 1 . ARG 23 23 25296 1 . VAL 24 24 25296 1 . ILE 25 25 25296 1 . GLU 26 26 25296 1 . LYS 27 27 25296 1 . ASN 28 28 25296 1 . LYS 29 29 25296 1 . TYR 30 30 25296 1 . GLU 31 31 25296 1 . LEU 32 32 25296 1 . SER 33 33 25296 1 . ASP 34 34 25296 1 . ASN 35 35 25296 1 . GLU 36 36 25296 1 . LEU 37 37 25296 1 . ALA 38 38 25296 1 . VAL 39 39 25296 1 . PHE 40 40 25296 1 . TYR 41 41 25296 1 . SER 42 42 25296 1 . ALA 43 43 25296 1 . ALA 44 44 25296 1 . ASP 45 45 25296 1 . HIS 46 46 25296 1 . ARG 47 47 25296 1 . LEU 48 48 25296 1 . ALA 49 49 25296 1 . GLU 50 50 25296 1 . LEU 51 51 25296 1 . THR 52 52 25296 1 . MET 53 53 25296 1 . ASN 54 54 25296 1 . LYS 55 55 25296 1 . LEU 56 56 25296 1 . TYR 57 57 25296 1 . ASP 58 58 25296 1 . LYS 59 59 25296 1 . ILE 60 60 25296 1 . PRO 61 61 25296 1 . SER 62 62 25296 1 . SER 63 63 25296 1 . VAL 64 64 25296 1 . TRP 65 65 25296 1 . LYS 66 66 25296 1 . PHE 67 67 25296 1 . ILE 68 68 25296 1 . ARG 69 69 25296 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25296 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SEALKILNNIRTLRAQAREC TLETLEEMLEKLEVVVNERR EEESAA ; _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment HNS46 _Entity.Mutation 'Native C21 was mutated to serine to avoid MTSL exchange.' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5177.926 _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 2 SER . 25296 2 2 3 GLU . 25296 2 3 4 ALA . 25296 2 4 5 LEU . 25296 2 5 6 LYS . 25296 2 6 7 ILE . 25296 2 7 8 LEU . 25296 2 8 9 ASN . 25296 2 9 10 ASN . 25296 2 10 11 ILE . 25296 2 11 12 ARG . 25296 2 12 13 THR . 25296 2 13 14 LEU . 25296 2 14 15 ARG . 25296 2 15 16 ALA . 25296 2 16 17 GLN . 25296 2 17 18 ALA . 25296 2 18 19 ARG . 25296 2 19 20 GLU . 25296 2 20 21 CYS . 25296 2 21 22 THR . 25296 2 22 23 LEU . 25296 2 23 24 GLU . 25296 2 24 25 THR . 25296 2 25 26 LEU . 25296 2 26 27 GLU . 25296 2 27 28 GLU . 25296 2 28 29 MET . 25296 2 29 30 LEU . 25296 2 30 31 GLU . 25296 2 31 32 LYS . 25296 2 32 33 LEU . 25296 2 33 34 GLU . 25296 2 34 35 VAL . 25296 2 35 36 VAL . 25296 2 36 37 VAL . 25296 2 37 38 ASN . 25296 2 38 39 GLU . 25296 2 39 40 ARG . 25296 2 40 41 ARG . 25296 2 41 42 GLU . 25296 2 42 43 GLU . 25296 2 43 44 GLU . 25296 2 44 45 SER . 25296 2 45 46 ALA . 25296 2 46 47 ALA . 25296 2 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 . SER 1 1 25296 2 . GLU 2 2 25296 2 . ALA 3 3 25296 2 . LEU 4 4 25296 2 . LYS 5 5 25296 2 . ILE 6 6 25296 2 . LEU 7 7 25296 2 . ASN 8 8 25296 2 . ASN 9 9 25296 2 . ILE 10 10 25296 2 . ARG 11 11 25296 2 . THR 12 12 25296 2 . LEU 13 13 25296 2 . ARG 14 14 25296 2 . ALA 15 15 25296 2 . GLN 16 16 25296 2 . ALA 17 17 25296 2 . ARG 18 18 25296 2 . GLU 19 19 25296 2 . CYS 20 20 25296 2 . THR 21 21 25296 2 . LEU 22 22 25296 2 . GLU 23 23 25296 2 . THR 24 24 25296 2 . LEU 25 25 25296 2 . GLU 26 26 25296 2 . GLU 27 27 25296 2 . MET 28 28 25296 2 . LEU 29 29 25296 2 . GLU 30 30 25296 2 . LYS 31 31 25296 2 . LEU 32 32 25296 2 . GLU 33 33 25296 2 . VAL 34 34 25296 2 . VAL 35 35 25296 2 . VAL 36 36 25296 2 . ASN 37 37 25296 2 . GLU 38 38 25296 2 . ARG 39 39 25296 2 . ARG 40 40 25296 2 . GLU 41 41 25296 2 . GLU 42 42 25296 2 . GLU 43 43 25296 2 . SER 44 44 25296 2 . ALA 45 45 25296 2 . ALA 46 46 25296 2 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 25296 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25296 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25296 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 25296 _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' . . . Escherichia coli . . . . . . pet15b . . . 25296 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet15b . . . 25296 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25296 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; C18I Native C18 was mutated to isoleucine. ; _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 entity_1 '[U-100% 15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 25296 3 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25296 3 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . w/v . . . . 25296 3 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25296 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25296 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25296 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25296 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; C21S Native C121 was mutated to serine. ; _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 entity_2 '[U-100% 15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 25296 4 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25296 4 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . w/v . . . . 25296 4 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25296 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25296 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25296 4 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25296 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'MTSL-tag placed at position D37C.' _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 entity_1 'natural abundance' . . 1 $entity_1 . . . 0.015 0.030 mM . . . . 25296 1 2 entity_2 '[U-100% 15N]' . . 2 $entity_2 . . 0.10 . . mM . . . . 25296 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25296 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25296 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . w/v . . . . 25296 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25296 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25296 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25296 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'MTSL-tag placed at position S66C.' _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 entity_1 'natural abundance' . . 1 $entity_1 . . . 0.015 0.030 mM . . . . 25296 2 2 entity_2 '[U-100% 15N]' . . 2 $entity_2 . . 0.10 . . mM . . . . 25296 2 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25296 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25296 2 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . w/v . . . . 25296 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25296 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25296 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25296 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.16 . M 25296 1 pH 7.0 . pH 25296 1 pressure 1 . atm 25296 1 temperature 295 . K 25296 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 25296 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.20 . M 25296 2 pH 7.0 . pH 25296 2 pressure 1 . atm 25296 2 temperature 295 . K 25296 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25296 _Software.ID 1 _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, Zhengrong and Bax' . . 25296 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25296 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25296 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25296 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25296 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25296 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25296 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25296 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25296 _Software.ID 4 _Software.Type . _Software.Name CNS _Software.Version 2.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25296 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Calculation Engine' 25296 4 stop_ save_ save_Haddock _Software.Sf_category software _Software.Sf_framecode Haddock _Software.Entry_ID 25296 _Software.ID 5 _Software.Type . _Software.Name Haddock _Software.Version 2.1 _Software.DOI . _Software.Details ; HADDOCK modelling from chemical shift PREs, Mutagenesis and perturbation data on both complex partners ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' . . 25296 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data-driven docking using cns as structure calculation engine' 25296 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25296 _Software.ID 6 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25296 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'nmr spectra acquisition' 25296 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25296 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25296 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _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 25296 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25296 1 2 spectrometer_2 Bruker 'Avance III' . 600 . . . 25296 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 25296 _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 . . . . . . . . . . . . . . . . 25296 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25296 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25296 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25296 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25296 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25296 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25296 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25296 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 25296 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H-15N backbone.' 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 H 1 DSS 'amide protons' . . . . ppm 0 external direct 1 . . . . . 25296 1 N 15 DSS 'amide nitrogens' . . . . ppm 0 external indirect 0.1013 . . . . . 25296 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 25296 _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 1H-15N chemical shifts for Hha C18I mutant based on BMRB entry 5166' _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 3 '2D 1H-15N HSQC' . . . 25296 1 4 '3D 1H-15N NOESY' . . . 25296 1 5 '3D 1H-15N TOCSY' . . . 25296 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.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 GLU H H 1 8.417 0.020 . 1 . . . . . 3 GLU H . 25296 1 2 . 1 1 1 1 GLU N N 15 122.711 0.3 . 1 . . . . . 3 GLU N . 25296 1 3 . 1 1 2 2 LYS H H 1 8.099 0.020 . 1 . . . . . 4 LYS H . 25296 1 4 . 1 1 2 2 LYS N N 15 122.518 0.3 . 1 . . . . . 4 LYS N . 25296 1 5 . 1 1 3 3 LEU H H 1 8.511 0.020 . 1 . . . . A 6 LEU H . 25296 1 6 . 1 1 3 3 LEU N N 15 123.422 0.3 . 1 . . . . A 6 LEU N . 25296 1 7 . 1 1 4 4 THR H H 1 9.008 0.020 . 1 . . . . A 7 THR H . 25296 1 8 . 1 1 4 4 THR N N 15 112.417 0.3 . 1 . . . . A 7 THR N . 25296 1 9 . 1 1 5 5 LYS H H 1 9.084 0.020 . 1 . . . . A 8 LYS H . 25296 1 10 . 1 1 5 5 LYS N N 15 121.105 0.3 . 1 . . . . A 8 LYS N . 25296 1 11 . 1 1 6 6 THR H H 1 7.971 0.020 . 1 . . . . A 9 THR H . 25296 1 12 . 1 1 6 6 THR N N 15 113.324 0.3 . 1 . . . . A 9 THR N . 25296 1 13 . 1 1 7 7 ASP H H 1 7.522 0.020 . 1 . . . . A 10 ASP H . 25296 1 14 . 1 1 7 7 ASP N N 15 121.834 0.3 . 1 . . . . A 10 ASP N . 25296 1 15 . 1 1 8 8 TYR H H 1 7.864 0.020 . 1 . . . . A 11 TYR H . 25296 1 16 . 1 1 8 8 TYR N N 15 116.789 0.3 . 1 . . . . A 11 TYR N . 25296 1 17 . 1 1 9 9 LEU H H 1 9.006 0.020 . 1 . . . . A 12 LEU H . 25296 1 18 . 1 1 9 9 LEU N N 15 121.549 0.3 . 1 . . . . A 12 LEU N . 25296 1 19 . 1 1 10 10 MET H H 1 8.294 0.020 . 1 . . . . A 13 MET H . 25296 1 20 . 1 1 10 10 MET N N 15 116.111 0.3 . 1 . . . . A 13 MET N . 25296 1 21 . 1 1 11 11 ARG H H 1 7.175 0.020 . 1 . . . . A 14 ARG H . 25296 1 22 . 1 1 11 11 ARG N N 15 117.417 0.3 . 1 . . . . A 14 ARG N . 25296 1 23 . 1 1 12 12 LEU H H 1 8.505 0.020 . 1 . . . . A 15 LEU H . 25296 1 24 . 1 1 12 12 LEU N N 15 119.519 0.3 . 1 . . . . A 15 LEU N . 25296 1 25 . 1 1 13 13 ARG H H 1 8.412 0.020 . 1 . . . . A 16 ARG H . 25296 1 26 . 1 1 13 13 ARG N N 15 121.725 0.3 . 1 . . . . A 16 ARG N . 25296 1 27 . 1 1 14 14 ARG H H 1 7.273 0.020 . 1 . . . . A 17 ARG H . 25296 1 28 . 1 1 14 14 ARG N N 15 115.267 0.3 . 1 . . . . A 17 ARG N . 25296 1 29 . 1 1 15 15 CYS H H 1 7.681 0.020 . 1 . . . . A 18 CYS H . 25296 1 30 . 1 1 15 15 CYS N N 15 120.960 0.3 . 1 . . . . A 18 CYS N . 25296 1 31 . 1 1 17 17 THR H H 1 7.165 0.020 . 1 . . . . A 20 THR H . 25296 1 32 . 1 1 17 17 THR N N 15 106.710 0.3 . 1 . . . . A 20 THR N . 25296 1 33 . 1 1 18 18 ILE H H 1 9.111 0.020 . 1 . . . . A 21 ILE H . 25296 1 34 . 1 1 18 18 ILE N N 15 124.640 0.3 . 1 . . . . A 21 ILE N . 25296 1 35 . 1 1 19 19 ASP H H 1 8.587 0.020 . 1 . . . . A 22 ASP H . 25296 1 36 . 1 1 19 19 ASP N N 15 118.648 0.3 . 1 . . . . A 22 ASP N . 25296 1 37 . 1 1 20 20 THR H H 1 7.610 0.020 . 1 . . . . A 23 THR H . 25296 1 38 . 1 1 20 20 THR N N 15 115.236 0.3 . 1 . . . . A 23 THR N . 25296 1 39 . 1 1 21 21 LEU H H 1 7.923 0.020 . 1 . . . . A 24 LEU H . 25296 1 40 . 1 1 21 21 LEU N N 15 124.130 0.3 . 1 . . . . A 24 LEU N . 25296 1 41 . 1 1 22 22 GLU H H 1 8.807 0.020 . 1 . . . . A 25 GLU H . 25296 1 42 . 1 1 22 22 GLU N N 15 117.370 0.3 . 1 . . . . A 25 GLU N . 25296 1 43 . 1 1 23 23 ARG H H 1 7.543 0.020 . 1 . . . . A 26 ARG H . 25296 1 44 . 1 1 23 23 ARG N N 15 119.314 0.3 . 1 . . . . A 26 ARG N . 25296 1 45 . 1 1 24 24 VAL H H 1 8.293 0.020 . 1 . . . . A 27 VAL H . 25296 1 46 . 1 1 24 24 VAL N N 15 122.593 0.3 . 1 . . . . A 27 VAL N . 25296 1 47 . 1 1 25 25 ILE H H 1 8.827 0.020 . 1 . . . . A 28 ILE H . 25296 1 48 . 1 1 25 25 ILE N N 15 123.569 0.3 . 1 . . . . A 28 ILE N . 25296 1 49 . 1 1 26 26 GLU H H 1 7.776 0.020 . 1 . . . . A 29 GLU H . 25296 1 50 . 1 1 26 26 GLU N N 15 118.032 0.3 . 1 . . . . A 29 GLU N . 25296 1 51 . 1 1 27 27 LYS H H 1 7.661 0.020 . 1 . . . . A 30 LYS H . 25296 1 52 . 1 1 27 27 LYS N N 15 116.536 0.3 . 1 . . . . A 30 LYS N . 25296 1 53 . 1 1 28 28 ASN H H 1 7.882 0.020 . 1 . . . . A 31 ASN H . 25296 1 54 . 1 1 28 28 ASN N N 15 117.098 0.3 . 1 . . . . A 31 ASN N . 25296 1 55 . 1 1 29 29 LYS H H 1 8.172 0.020 . 1 . . . . A 32 LYS H . 25296 1 56 . 1 1 29 29 LYS N N 15 119.676 0.3 . 1 . . . . A 32 LYS N . 25296 1 57 . 1 1 30 30 TYR H H 1 7.006 0.020 . 1 . . . . A 33 TYR H . 25296 1 58 . 1 1 30 30 TYR N N 15 114.106 0.3 . 1 . . . . A 33 TYR N . 25296 1 59 . 1 1 31 31 GLU H H 1 7.453 0.020 . 1 . . . . A 34 GLU H . 25296 1 60 . 1 1 31 31 GLU N N 15 117.370 0.3 . 1 . . . . A 34 GLU N . 25296 1 61 . 1 1 32 32 LEU H H 1 7.500 0.020 . 1 . . . . A 35 LEU H . 25296 1 62 . 1 1 32 32 LEU N N 15 118.834 0.3 . 1 . . . . A 35 LEU N . 25296 1 63 . 1 1 33 33 SER H H 1 8.623 0.020 . 1 . . . . A 36 SER H . 25296 1 64 . 1 1 33 33 SER N N 15 116.159 0.3 . 1 . . . . A 36 SER N . 25296 1 65 . 1 1 34 34 ASP H H 1 8.838 0.020 . 1 . . . . A 37 ASP H . 25296 1 66 . 1 1 34 34 ASP N N 15 120.825 0.3 . 1 . . . . A 37 ASP N . 25296 1 67 . 1 1 35 35 ASN H H 1 8.669 0.020 . 1 . . . . A 38 ASN H . 25296 1 68 . 1 1 35 35 ASN HD21 H 1 7.689 0.020 . 1 . . . . A 38 ASN HD21 . 25296 1 69 . 1 1 35 35 ASN HD22 H 1 7.004 0.020 . 1 . . . . A 38 ASN HD22 . 25296 1 70 . 1 1 35 35 ASN N N 15 117.661 0.3 . 1 . . . . A 38 ASN N . 25296 1 71 . 1 1 35 35 ASN ND2 N 15 113.378 0.3 . 1 . . . . A 38 ASN ND2 . 25296 1 72 . 1 1 36 36 GLU H H 1 7.603 0.020 . 1 . . . . A 39 GLU H . 25296 1 73 . 1 1 36 36 GLU N N 15 120.404 0.3 . 1 . . . . A 39 GLU N . 25296 1 74 . 1 1 37 37 LEU H H 1 8.584 0.020 . 1 . . . . A 40 LEU H . 25296 1 75 . 1 1 37 37 LEU N N 15 120.350 0.3 . 1 . . . . A 40 LEU N . 25296 1 76 . 1 1 38 38 ALA H H 1 7.491 0.020 . 1 . . . . A 41 ALA H . 25296 1 77 . 1 1 38 38 ALA N N 15 118.587 0.3 . 1 . . . . A 41 ALA N . 25296 1 78 . 1 1 39 39 VAL H H 1 7.269 0.020 . 1 . . . . A 42 VAL H . 25296 1 79 . 1 1 39 39 VAL N N 15 118.763 0.3 . 1 . . . . A 42 VAL N . 25296 1 80 . 1 1 40 40 PHE H H 1 8.478 0.020 . 1 . . . . A 43 PHE H . 25296 1 81 . 1 1 40 40 PHE N N 15 123.354 0.3 . 1 . . . . A 43 PHE N . 25296 1 82 . 1 1 41 41 TYR H H 1 9.357 0.020 . 1 . . . . A 44 TYR H . 25296 1 83 . 1 1 41 41 TYR N N 15 118.850 0.3 . 1 . . . . A 44 TYR N . 25296 1 84 . 1 1 42 42 SER H H 1 7.507 0.020 . 1 . . . . A 45 SER H . 25296 1 85 . 1 1 42 42 SER N N 15 114.529 0.3 . 1 . . . . A 45 SER N . 25296 1 86 . 1 1 43 43 ALA H H 1 7.514 0.020 . 1 . . . . A 46 ALA H . 25296 1 87 . 1 1 43 43 ALA N N 15 125.846 0.3 . 1 . . . . A 46 ALA N . 25296 1 88 . 1 1 44 44 ALA H H 1 8.787 0.020 . 1 . . . . A 47 ALA H . 25296 1 89 . 1 1 44 44 ALA N N 15 123.097 0.3 . 1 . . . . A 47 ALA N . 25296 1 90 . 1 1 45 45 ASP H H 1 8.688 0.020 . 1 . . . . A 48 ASP H . 25296 1 91 . 1 1 45 45 ASP N N 15 119.891 0.3 . 1 . . . . A 48 ASP N . 25296 1 92 . 1 1 46 46 HIS H H 1 7.219 0.020 . 1 . . . . A 49 HIS H . 25296 1 93 . 1 1 46 46 HIS N N 15 119.869 0.3 . 1 . . . . A 49 HIS N . 25296 1 94 . 1 1 47 47 ARG H H 1 8.800 0.020 . 1 . . . . A 50 ARG H . 25296 1 95 . 1 1 47 47 ARG N N 15 118.614 0.3 . 1 . . . . A 50 ARG N . 25296 1 96 . 1 1 48 48 LEU H H 1 8.875 0.020 . 1 . . . . A 51 LEU H . 25296 1 97 . 1 1 48 48 LEU N N 15 121.642 0.3 . 1 . . . . A 51 LEU N . 25296 1 98 . 1 1 49 49 ALA H H 1 8.041 0.020 . 1 . . . . A 52 ALA H . 25296 1 99 . 1 1 49 49 ALA N N 15 124.864 0.3 . 1 . . . . A 52 ALA N . 25296 1 100 . 1 1 50 50 GLU H H 1 7.965 0.020 . 1 . . . . A 53 GLU H . 25296 1 101 . 1 1 50 50 GLU N N 15 117.347 0.3 . 1 . . . . A 53 GLU N . 25296 1 102 . 1 1 51 51 LEU H H 1 8.739 0.020 . 1 . . . . A 54 LEU H . 25296 1 103 . 1 1 51 51 LEU N N 15 118.288 0.3 . 1 . . . . A 54 LEU N . 25296 1 104 . 1 1 52 52 THR H H 1 8.268 0.020 . 1 . . . . A 55 THR H . 25296 1 105 . 1 1 52 52 THR N N 15 116.900 0.3 . 1 . . . . A 55 THR N . 25296 1 106 . 1 1 53 53 MET H H 1 7.839 0.020 . 1 . . . . A 56 MET H . 25296 1 107 . 1 1 53 53 MET N N 15 116.084 0.3 . 1 . . . . A 56 MET N . 25296 1 108 . 1 1 54 54 ASN H H 1 8.099 0.020 . 1 . . . . A 57 ASN H . 25296 1 109 . 1 1 54 54 ASN N N 15 118.384 0.3 . 1 . . . . A 57 ASN N . 25296 1 110 . 1 1 55 55 LYS H H 1 7.962 0.020 . 1 . . . . A 58 LYS H . 25296 1 111 . 1 1 55 55 LYS N N 15 117.541 0.3 . 1 . . . . A 58 LYS N . 25296 1 112 . 1 1 56 56 LEU H H 1 7.552 0.020 . 1 . . . . A 59 LEU H . 25296 1 113 . 1 1 56 56 LEU N N 15 117.548 0.3 . 1 . . . . A 59 LEU N . 25296 1 114 . 1 1 57 57 TYR H H 1 9.840 0.020 . 1 . . . . A 60 TYR H . 25296 1 115 . 1 1 57 57 TYR N N 15 120.559 0.3 . 1 . . . . A 60 TYR N . 25296 1 116 . 1 1 59 59 LYS H H 1 7.683 0.020 . 1 . . . . A 62 LYS H . 25296 1 117 . 1 1 59 59 LYS N N 15 118.741 0.3 . 1 . . . . A 62 LYS N . 25296 1 118 . 1 1 60 60 ILE H H 1 8.832 0.020 . 1 . . . . A 63 ILE H . 25296 1 119 . 1 1 60 60 ILE N N 15 127.142 0.3 . 1 . . . . A 63 ILE N . 25296 1 120 . 1 1 64 64 VAL H H 1 7.215 0.020 . 1 . . . . A 67 VAL H . 25296 1 121 . 1 1 64 64 VAL N N 15 123.569 0.3 . 1 . . . . A 67 VAL N . 25296 1 122 . 1 1 65 65 TRP H H 1 7.166 0.020 . 1 . . . . A 68 TRP H . 25296 1 123 . 1 1 65 65 TRP HE1 H 1 9.959 0.020 . 1 . . . . A 68 TRP HE1 . 25296 1 124 . 1 1 65 65 TRP N N 15 118.947 0.3 . 1 . . . . A 68 TRP N . 25296 1 125 . 1 1 65 65 TRP NE1 N 15 128.802 0.3 . 1 . . . . A 68 TRP NE1 . 25296 1 126 . 1 1 66 66 LYS H H 1 7.848 0.020 . 1 . . . . A 69 LYS H . 25296 1 127 . 1 1 66 66 LYS N N 15 117.130 0.3 . 1 . . . . A 69 LYS N . 25296 1 128 . 1 1 67 67 PHE H H 1 7.541 0.020 . 1 . . . . A 70 PHE H . 25296 1 129 . 1 1 67 67 PHE N N 15 118.929 0.3 . 1 . . . . A 70 PHE N . 25296 1 130 . 1 1 68 68 ILE H H 1 8.030 0.020 . 1 . . . . A 71 ILE H . 25296 1 131 . 1 1 68 68 ILE N N 15 117.502 0.3 . 1 . . . . A 71 ILE N . 25296 1 132 . 1 1 69 69 ARG H H 1 8.306 0.020 . 1 . . . . A 72 ARG H . 25296 1 133 . 1 1 69 69 ARG N N 15 118.864 0.3 . 1 . . . . A 72 ARG N . 25296 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25296 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 6 '2D 1H-15N HSQC' . . . 25296 2 7 '3D 1H-15N NOESY' . . . 25296 2 8 '3D 1H-15N TOCSY' . . . 25296 2 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.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 . 2 2 1 1 SER H H 1 8.203 0.020 . 6 . . . . . 2 SER H . 25296 2 2 . 2 2 1 1 SER N N 15 115.664 0.3 . 6 . . . . . 2 SER N . 25296 2 3 . 2 2 2 2 GLU H H 1 8.448 0.020 . 6 . . . . B 3 GLU H . 25296 2 4 . 2 2 2 2 GLU N N 15 123.077 0.3 . 6 . . . . B 3 GLU N . 25296 2 5 . 2 2 3 3 ALA H H 1 8.105 0.020 . 6 . . . . B 4 ALA H . 25296 2 6 . 2 2 3 3 ALA N N 15 121.468 0.3 . 6 . . . . B 4 ALA N . 25296 2 7 . 2 2 4 4 LEU H H 1 7.707 0.020 . 6 . . . . B 5 LEU H . 25296 2 8 . 2 2 4 4 LEU N N 15 114.627 0.3 . 6 . . . . B 5 LEU N . 25296 2 9 . 2 2 5 5 LYS H H 1 7.500 0.020 . 6 . . . . B 6 LYS H . 25296 2 10 . 2 2 5 5 LYS N N 15 116.789 0.3 . 6 . . . . B 6 LYS N . 25296 2 11 . 2 2 6 6 ILE H H 1 7.572 0.020 . 6 . . . . B 7 ILE H . 25296 2 12 . 2 2 6 6 ILE N N 15 118.048 0.3 . 6 . . . . B 7 ILE N . 25296 2 13 . 2 2 7 7 LEU H H 1 7.429 0.020 . 6 . . . . B 8 LEU H . 25296 2 14 . 2 2 7 7 LEU N N 15 115.840 0.3 . 6 . . . . B 8 LEU N . 25296 2 15 . 2 2 8 8 ASN H H 1 7.336 0.020 . 6 . . . . B 9 ASN H . 25296 2 16 . 2 2 8 8 ASN HD21 H 1 7.342 0.020 . 6 . . . . B 9 ASN HD21 . 25296 2 17 . 2 2 8 8 ASN HD22 H 1 7.100 0.020 . 6 . . . . B 9 ASN HD22 . 25296 2 18 . 2 2 8 8 ASN N N 15 112.820 0.3 . 6 . . . . B 9 ASN N . 25296 2 19 . 2 2 8 8 ASN ND2 N 15 109.822 0.3 . 6 . . . . B 9 ASN ND2 . 25296 2 20 . 2 2 9 9 ASN H H 1 7.674 0.020 . 6 . . . . B 10 ASN H . 25296 2 21 . 2 2 9 9 ASN HD21 H 1 7.641 0.020 . 6 . . . . B 10 ASN HD21 . 25296 2 22 . 2 2 9 9 ASN HD22 H 1 6.867 0.020 . 6 . . . . B 10 ASN HD22 . 25296 2 23 . 2 2 9 9 ASN N N 15 119.315 0.3 . 6 . . . . B 10 ASN N . 25296 2 24 . 2 2 9 9 ASN ND2 N 15 113.372 0.3 . 6 . . . . B 10 ASN ND2 . 25296 2 25 . 2 2 11 11 ARG H H 1 7.874 0.020 . 6 . . . . B 12 ARG H . 25296 2 26 . 2 2 11 11 ARG N N 15 121.285 0.3 . 6 . . . . B 12 ARG N . 25296 2 27 . 2 2 12 12 THR H H 1 7.692 0.020 . 6 . . . . B 13 THR H . 25296 2 28 . 2 2 12 12 THR N N 15 116.891 0.3 . 6 . . . . B 13 THR N . 25296 2 29 . 2 2 13 13 LEU H H 1 8.606 0.020 . 6 . . . . B 14 LEU H . 25296 2 30 . 2 2 13 13 LEU N N 15 123.463 0.3 . 6 . . . . B 14 LEU N . 25296 2 31 . 2 2 14 14 ARG H H 1 8.517 0.020 . 6 . . . . B 15 ARG H . 25296 2 32 . 2 2 14 14 ARG N N 15 117.309 0.3 . 6 . . . . B 15 ARG N . 25296 2 33 . 2 2 15 15 ALA H H 1 7.415 0.020 . 6 . . . . B 16 ALA H . 25296 2 34 . 2 2 15 15 ALA N N 15 119.575 0.3 . 6 . . . . B 16 ALA N . 25296 2 35 . 2 2 16 16 GLN H H 1 8.332 0.020 . 6 . . . . B 17 GLN H . 25296 2 36 . 2 2 16 16 GLN HE21 H 1 7.200 0.020 . 6 . . . . B 17 GLN HE21 . 25296 2 37 . 2 2 16 16 GLN HE22 H 1 6.738 0.020 . 6 . . . . B 17 GLN HE22 . 25296 2 38 . 2 2 16 16 GLN N N 15 116.833 0.3 . 6 . . . . B 17 GLN N . 25296 2 39 . 2 2 16 16 GLN NE2 N 15 111.328 0.3 . 6 . . . . B 17 GLN NE2 . 25296 2 40 . 2 2 17 17 ALA H H 1 8.846 0.020 . 6 . . . . B 18 ALA H . 25296 2 41 . 2 2 17 17 ALA N N 15 122.172 0.3 . 6 . . . . B 18 ALA N . 25296 2 42 . 2 2 18 18 ARG H H 1 7.397 0.020 . 6 . . . . B 19 ARG H . 25296 2 43 . 2 2 18 18 ARG N N 15 117.101 0.3 . 6 . . . . B 19 ARG N . 25296 2 44 . 2 2 19 19 GLU H H 1 7.199 0.020 . 6 . . . . B 20 GLU H . 25296 2 45 . 2 2 19 19 GLU N N 15 114.355 0.3 . 6 . . . . B 20 GLU N . 25296 2 46 . 2 2 20 20 CYS H H 1 7.577 0.020 . 6 . . . . B 21 CYS H . 25296 2 47 . 2 2 20 20 CYS N N 15 115.139 0.3 . 6 . . . . B 21 CYS N . 25296 2 48 . 2 2 21 21 THR H H 1 8.676 0.020 . 6 . . . . B 22 THR H . 25296 2 49 . 2 2 21 21 THR N N 15 113.987 0.3 . 6 . . . . B 22 THR N . 25296 2 50 . 2 2 22 22 LEU H H 1 9.075 0.020 . 6 . . . . B 23 LEU H . 25296 2 51 . 2 2 22 22 LEU N N 15 123.456 0.3 . 6 . . . . B 23 LEU N . 25296 2 52 . 2 2 23 23 GLU H H 1 8.719 0.020 . 6 . . . . B 24 GLU H . 25296 2 53 . 2 2 23 23 GLU N N 15 117.074 0.3 . 6 . . . . B 24 GLU N . 25296 2 54 . 2 2 24 24 THR H H 1 7.636 0.020 . 6 . . . . B 25 THR H . 25296 2 55 . 2 2 24 24 THR N N 15 116.710 0.3 . 6 . . . . B 25 THR N . 25296 2 56 . 2 2 25 25 LEU H H 1 7.794 0.020 . 6 . . . . B 26 LEU H . 25296 2 57 . 2 2 25 25 LEU N N 15 121.586 0.3 . 6 . . . . B 26 LEU N . 25296 2 58 . 2 2 26 26 GLU H H 1 8.762 0.020 . 6 . . . . B 27 GLU H . 25296 2 59 . 2 2 26 26 GLU N N 15 117.312 0.3 . 6 . . . . B 27 GLU N . 25296 2 60 . 2 2 27 27 GLU H H 1 7.786 0.020 . 6 . . . . B 28 GLU H . 25296 2 61 . 2 2 27 27 GLU N N 15 121.001 0.3 . 6 . . . . B 28 GLU N . 25296 2 62 . 2 2 28 28 MET H H 1 8.075 0.020 . 6 . . . . B 29 MET H . 25296 2 63 . 2 2 28 28 MET N N 15 120.238 0.3 . 6 . . . . B 29 MET N . 25296 2 64 . 2 2 29 29 LEU H H 1 8.223 0.020 . 6 . . . . B 30 LEU H . 25296 2 65 . 2 2 29 29 LEU N N 15 119.826 0.3 . 6 . . . . B 30 LEU N . 25296 2 66 . 2 2 30 30 GLU H H 1 7.742 0.020 . 6 . . . . B 31 GLU H . 25296 2 67 . 2 2 30 30 GLU N N 15 117.848 0.3 . 6 . . . . B 31 GLU N . 25296 2 68 . 2 2 31 31 LYS H H 1 7.779 0.020 . 6 . . . . B 32 LYS H . 25296 2 69 . 2 2 31 31 LYS N N 15 118.368 0.3 . 6 . . . . B 32 LYS N . 25296 2 70 . 2 2 32 32 LEU H H 1 8.491 0.020 . 6 . . . . B 33 LEU H . 25296 2 71 . 2 2 32 32 LEU N N 15 119.513 0.3 . 6 . . . . B 33 LEU N . 25296 2 72 . 2 2 33 33 GLU H H 1 8.587 0.020 . 6 . . . . B 34 GLU H . 25296 2 73 . 2 2 33 33 GLU N N 15 118.937 0.3 . 6 . . . . B 34 GLU N . 25296 2 74 . 2 2 34 34 VAL H H 1 7.659 0.020 . 6 . . . . B 35 VAL H . 25296 2 75 . 2 2 34 34 VAL N N 15 119.509 0.3 . 6 . . . . B 35 VAL N . 25296 2 76 . 2 2 35 35 VAL H H 1 7.821 0.020 . 6 . . . . B 36 VAL H . 25296 2 77 . 2 2 35 35 VAL N N 15 119.829 0.3 . 6 . . . . B 36 VAL N . 25296 2 78 . 2 2 36 36 VAL H H 1 8.912 0.020 . 6 . . . . B 37 VAL H . 25296 2 79 . 2 2 36 36 VAL N N 15 121.182 0.3 . 6 . . . . B 37 VAL N . 25296 2 80 . 2 2 37 37 ASN H H 1 8.491 0.020 . 6 . . . . B 38 ASN H . 25296 2 81 . 2 2 37 37 ASN HD21 H 1 7.517 0.020 . 6 . . . . B 38 ASN HD21 . 25296 2 82 . 2 2 37 37 ASN HD22 H 1 7.046 0.020 . 6 . . . . B 38 ASN HD22 . 25296 2 83 . 2 2 37 37 ASN N N 15 118.651 0.3 . 6 . . . . B 38 ASN N . 25296 2 84 . 2 2 37 37 ASN ND2 N 15 113.527 0.3 . 6 . . . . B 38 ASN ND2 . 25296 2 85 . 2 2 38 38 GLU H H 1 8.296 0.020 . 6 . . . . B 39 GLU H . 25296 2 86 . 2 2 38 38 GLU N N 15 120.224 0.3 . 6 . . . . B 39 GLU N . 25296 2 87 . 2 2 39 39 ARG H H 1 7.881 0.020 . 6 . . . . B 40 ARG H . 25296 2 88 . 2 2 39 39 ARG N N 15 120.592 0.3 . 6 . . . . B 40 ARG N . 25296 2 89 . 2 2 40 40 ARG H H 1 8.801 0.020 . 6 . . . . B 41 ARG H . 25296 2 90 . 2 2 40 40 ARG N N 15 120.427 0.3 . 6 . . . . B 41 ARG N . 25296 2 91 . 2 2 41 41 GLU H H 1 7.929 0.020 . 6 . . . . B 42 GLU H . 25296 2 92 . 2 2 41 41 GLU N N 15 120.000 0.3 . 6 . . . . B 42 GLU N . 25296 2 93 . 2 2 42 42 GLU H H 1 8.442 0.020 . 6 . . . . B 43 GLU H . 25296 2 94 . 2 2 42 42 GLU N N 15 121.940 0.3 . 6 . . . . B 43 GLU N . 25296 2 95 . 2 2 43 43 GLU H H 1 8.027 0.020 . 6 . . . . B 44 GLU H . 25296 2 96 . 2 2 43 43 GLU N N 15 117.273 0.3 . 6 . . . . B 44 GLU N . 25296 2 97 . 2 2 44 44 SER H H 1 7.740 0.020 . 6 . . . . B 45 SER H . 25296 2 98 . 2 2 44 44 SER N N 15 114.616 0.3 . 6 . . . . B 45 SER N . 25296 2 99 . 2 2 45 45 ALA H H 1 7.841 0.020 . 6 . . . . B 46 ALA H . 25296 2 100 . 2 2 45 45 ALA N N 15 125.642 0.3 . 6 . . . . B 46 ALA N . 25296 2 101 . 2 2 46 46 ALA H H 1 7.740 0.020 . 6 . . . . . 47 ALA H . 25296 2 102 . 2 2 46 46 ALA N N 15 128.934 0.3 . 6 . . . . . 47 ALA N . 25296 2 stop_ save_