data_17419 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17419 _Entry.Title ; NMR STRUCTURE OF THE CYTIDINE REPRESSOR DNA BINDING DOMAIN IN PRESENCE OF OPERATOR HALF-SITE DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-20 _Entry.Accession_date 2011-01-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Moody . L. . 17419 2 V. Tretyachenko-Ladokhina . . . 17419 3 D. Senear . F. . 17419 4 M. Cocco . J. . 17419 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' . 17419 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BACTERIAL GENE REPRESSOR' . 17419 'CYTIDINE REPRESSOR' . 17419 CYTR . 17419 DNA-BINDING . 17419 'DNA BINDING PROTEI' . 17419 'HELIX TURN HEL BINDING DOMAIN' . 17419 'LACR FAMILY' . 17419 REPRESSOR . 17419 TRANSCRIPTION . 17419 'TRANSCRIPTION REGULATION' . 17419 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17419 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 169 17419 '15N chemical shifts' 62 17419 '1H chemical shifts' 372 17419 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 . . 2014-07-15 2011-01-20 update BMRB 'update entry citation' 17419 1 . . 2011-08-03 2011-01-20 original author 'original release' 17419 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8N 'BMRB Entry Tracking System' 17419 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17419 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/bi200205v _Citation.PubMed_ID 21688840 _Citation.Full_citation . _Citation.Title 'Multiple conformations of the cytidine repressor DNA-binding domain coalesce to one upon recognition of a specific DNA surface.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 31 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 6622 _Citation.Page_last 6632 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Colleen Moody C. L. . 17419 1 2 Vira Tretyachenko-Ladokhina V. . . 17419 1 3 Thomas Laue T. M. . 17419 1 4 Donald Senear D. F. . 17419 1 5 Melanie Cocco M. J. . 17419 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17419 _Assembly.ID 1 _Assembly.Name 'HTH-TYPE TRANSCRIPTIONAL REPRESSOR CYTR' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HTH-TYPE TRANSCRIPTIONAL REPRESSOR CYTR' 1 $HTH-TYPE_TRANSCRIPTIONAL_REPRESSOR_CYTR A . yes native no no . . . 17419 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HTH-TYPE_TRANSCRIPTIONAL_REPRESSOR_CYTR _Entity.Sf_category entity _Entity.Sf_framecode HTH-TYPE_TRANSCRIPTIONAL_REPRESSOR_CYTR _Entity.Entry_ID 17419 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HTH-TYPE_TRANSCRIPTIONAL_REPRESSOR_CYTR _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 ; MKAKKQETAATMKDVALKAK VSTATVSRALMNPDKVSQAT RNRVEKAAREVGYLPQPMGR NVKRNES ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'DNA BINDING DOMAIN (UNP RESIDUES 1-67)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7402.684 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17634 . CytR_DBD . . . . . 98.51 66 100.00 100.00 2.09e-37 . . . . 17419 1 2 no PDB 2L8N . "Nmr Structure Of The Cytidine Repressor Dna Binding Domain In Presence Of Operator Half-Site Dna" . . . . . 100.00 67 100.00 100.00 2.74e-38 . . . . 17419 1 3 no PDB 2LCV . "Structure Of The Cytidine Repressor Dna-Binding Domain; An Alternate Calculation" . . . . . 70.15 47 100.00 100.00 8.37e-23 . . . . 17419 1 4 no DBJ BAB38284 . "transcriptional regulator CytR [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 5 no DBJ BAE77376 . "DNA-binding transcriptional dual regulator [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 6 no DBJ BAG79747 . "transcriptional repressor [Escherichia coli SE11]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 7 no DBJ BAI27816 . "DNA-binding transcriptional dual regulator CytR [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 8 no DBJ BAI33290 . "DNA-binding transcriptional dual regulator CytR [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 9 no EMBL CAA27318 . "unnamed protein product [Escherichia coli K-12]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 10 no EMBL CAP78391 . "HTH-type transcriptional repressor cytR [Escherichia coli LF82]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 11 no EMBL CAQ34285 . "CytR transcriptional repressor [Escherichia coli BL21(DE3)]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 12 no EMBL CAR00910 . "DNA-binding transcriptional dual regulator [Escherichia coli IAI1]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 13 no EMBL CAR05564 . "DNA-binding transcriptional dual regulator [Escherichia coli S88]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 14 no GB AAA24417 . "cytR gene product, partial [Escherichia coli]" . . . . . 100.00 80 100.00 100.00 4.92e-38 . . . . 17419 1 15 no GB AAB03066 . "CG Site No. 887 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 16 no GB AAC76916 . "Anti-activator for CytR-CRP nucleoside utilization regulon [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 17 no GB AAG59129 . "regulator for deo operon, udp, cdd, tsx, nupC, and nupG [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 18 no GB AAN45445 . "regulator for deo operon, udp, cdd, tsx, nupC, and nupG [Shigella flexneri 2a str. 301]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 19 no REF NP_312888 . "DNA-binding transcriptional regulator CytR [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 20 no REF NP_418369 . "Anti-activator for CytR-CRP nucleoside utilization regulon [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 21 no REF NP_709738 . "DNA-binding transcriptional regulator CytR [Shigella flexneri 2a str. 301]" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 22 no REF WP_000644802 . "MULTISPECIES: transcriptional regulator [Escherichia]" . . . . . 101.49 342 97.06 97.06 1.06e-30 . . . . 17419 1 23 no REF WP_000644884 . "MULTISPECIES: transcriptional regulator [Escherichia]" . . . . . 100.00 341 97.01 98.51 1.92e-32 . . . . 17419 1 24 no SP P0ACN7 . "RecName: Full=HTH-type transcriptional repressor CytR" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 25 no SP P0ACN8 . "RecName: Full=HTH-type transcriptional repressor CytR" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 26 no SP P0ACN9 . "RecName: Full=HTH-type transcriptional repressor CytR" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 27 no SP P0ACP0 . "RecName: Full=HTH-type transcriptional repressor CytR" . . . . . 100.00 341 100.00 100.00 1.65e-33 . . . . 17419 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17419 1 2 . LYS . 17419 1 3 . ALA . 17419 1 4 . LYS . 17419 1 5 . LYS . 17419 1 6 . GLN . 17419 1 7 . GLU . 17419 1 8 . THR . 17419 1 9 . ALA . 17419 1 10 . ALA . 17419 1 11 . THR . 17419 1 12 . MET . 17419 1 13 . LYS . 17419 1 14 . ASP . 17419 1 15 . VAL . 17419 1 16 . ALA . 17419 1 17 . LEU . 17419 1 18 . LYS . 17419 1 19 . ALA . 17419 1 20 . LYS . 17419 1 21 . VAL . 17419 1 22 . SER . 17419 1 23 . THR . 17419 1 24 . ALA . 17419 1 25 . THR . 17419 1 26 . VAL . 17419 1 27 . SER . 17419 1 28 . ARG . 17419 1 29 . ALA . 17419 1 30 . LEU . 17419 1 31 . MET . 17419 1 32 . ASN . 17419 1 33 . PRO . 17419 1 34 . ASP . 17419 1 35 . LYS . 17419 1 36 . VAL . 17419 1 37 . SER . 17419 1 38 . GLN . 17419 1 39 . ALA . 17419 1 40 . THR . 17419 1 41 . ARG . 17419 1 42 . ASN . 17419 1 43 . ARG . 17419 1 44 . VAL . 17419 1 45 . GLU . 17419 1 46 . LYS . 17419 1 47 . ALA . 17419 1 48 . ALA . 17419 1 49 . ARG . 17419 1 50 . GLU . 17419 1 51 . VAL . 17419 1 52 . GLY . 17419 1 53 . TYR . 17419 1 54 . LEU . 17419 1 55 . PRO . 17419 1 56 . GLN . 17419 1 57 . PRO . 17419 1 58 . MET . 17419 1 59 . GLY . 17419 1 60 . ARG . 17419 1 61 . ASN . 17419 1 62 . VAL . 17419 1 63 . LYS . 17419 1 64 . ARG . 17419 1 65 . ASN . 17419 1 66 . GLU . 17419 1 67 . SER . 17419 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 17419 1 . LYS 2 2 17419 1 . ALA 3 3 17419 1 . LYS 4 4 17419 1 . LYS 5 5 17419 1 . GLN 6 6 17419 1 . GLU 7 7 17419 1 . THR 8 8 17419 1 . ALA 9 9 17419 1 . ALA 10 10 17419 1 . THR 11 11 17419 1 . MET 12 12 17419 1 . LYS 13 13 17419 1 . ASP 14 14 17419 1 . VAL 15 15 17419 1 . ALA 16 16 17419 1 . LEU 17 17 17419 1 . LYS 18 18 17419 1 . ALA 19 19 17419 1 . LYS 20 20 17419 1 . VAL 21 21 17419 1 . SER 22 22 17419 1 . THR 23 23 17419 1 . ALA 24 24 17419 1 . THR 25 25 17419 1 . VAL 26 26 17419 1 . SER 27 27 17419 1 . ARG 28 28 17419 1 . ALA 29 29 17419 1 . LEU 30 30 17419 1 . MET 31 31 17419 1 . ASN 32 32 17419 1 . PRO 33 33 17419 1 . ASP 34 34 17419 1 . LYS 35 35 17419 1 . VAL 36 36 17419 1 . SER 37 37 17419 1 . GLN 38 38 17419 1 . ALA 39 39 17419 1 . THR 40 40 17419 1 . ARG 41 41 17419 1 . ASN 42 42 17419 1 . ARG 43 43 17419 1 . VAL 44 44 17419 1 . GLU 45 45 17419 1 . LYS 46 46 17419 1 . ALA 47 47 17419 1 . ALA 48 48 17419 1 . ARG 49 49 17419 1 . GLU 50 50 17419 1 . VAL 51 51 17419 1 . GLY 52 52 17419 1 . TYR 53 53 17419 1 . LEU 54 54 17419 1 . PRO 55 55 17419 1 . GLN 56 56 17419 1 . PRO 57 57 17419 1 . MET 58 58 17419 1 . GLY 59 59 17419 1 . ARG 60 60 17419 1 . ASN 61 61 17419 1 . VAL 62 62 17419 1 . LYS 63 63 17419 1 . ARG 64 64 17419 1 . ASN 65 65 17419 1 . GLU 66 66 17419 1 . SER 67 67 17419 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 17419 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HTH-TYPE_TRANSCRIPTIONAL_REPRESSOR_CYTR . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . 'B3934, CYTR, JW3905' . . . . 17419 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 17419 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HTH-TYPE_TRANSCRIPTIONAL_REPRESSOR_CYTR . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI 'BL21 (DE3) PLYSS' . . . . . . . . . . . . . . . PSS485DBD . . . . . . 17419 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17419 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.411 MM [U-15N] CYTR DBD, 1.14 MM ATTTATGCAACGCA DNA, 50 MM SODIUM PHOSPHATE, 30 MM SODIUM CHLORIDE, 1 MM EDTA, 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 'HTH-TYPE TRANSCRIPTIONAL REPRESSOR CYTR' [U-15N] . . 1 $HTH-TYPE_TRANSCRIPTIONAL_REPRESSOR_CYTR . . 0.411 . . mM . . . . 17419 1 2 'ATTTATGCAACGCA DNA' 'natural abundance' . . . . . . 1.14 . . mM . . . . 17419 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17419 1 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 17419 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17419 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17419 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HTH-TYPE TRANSCRIPTIONAL REPRESSOR CYTR' '[U-13C; U-15N]' . . 1 $HTH-TYPE_TRANSCRIPTIONAL_REPRESSOR_CYTR . . 1 . . mM . . . . 17419 2 2 'ATTTATGCAACGCA DNA' 'natural abundance' . . . . . . 1.2 . . mM . . . . 17419 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17419 2 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 17419 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17419 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17419 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 MM [U-15N] CYT DBD, 0.6 MM ATTTATGCAACGCA DNA, 50 MM SODIUM PHOSPHATE, 30 MM SODIUM CHLORIDE, 1 MM EDTA, 4 % C12E5 PEG/HEXANOL, 90% H2O/10%' _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 'HTH-TYPE TRANSCRIPTIONAL REPRESSOR CYTR' [U-15N] . . 1 $HTH-TYPE_TRANSCRIPTIONAL_REPRESSOR_CYTR . . 0.4 . . mM . . . . 17419 3 2 'ATTTATGCAACGCA DNA' 'natural abundance' . . . . . . 0.6 . . mM . . . . 17419 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17419 3 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 17419 3 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17419 3 6 'C12E5 PEG/HEXANOL' 'natural abundance' . . . . . . 4 . . % . . . . 17419 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17419 _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' 0.0570 . M 17419 1 pH 6.0 . pH 17419 1 pressure 1 . atm 17419 1 temperature 308 . K 17419 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 17419 _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' 0.0570 . 'Not defined' 17419 2 pH 6 . pH 17419 2 pressure 1 . atm 17419 2 temperature 298 . K 17419 2 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17419 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'SCHWIETERS, KUSZEWSKI, TJ' . . 17419 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17419 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17419 _Software.ID 2 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17419 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17419 2 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 17419 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17419 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17419 3 stop_ save_ save_ANALYSIS_-_CCPN _Software.Sf_category software _Software.Sf_framecode ANALYSIS_-_CCPN _Software.Entry_ID 17419 _Software.ID 4 _Software.Name ANALYSIS_-_CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17419 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17419 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17419 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _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 17419 _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 VARIAN INOVA . 800 . 1 $citations 17419 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 17419 _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 . . . . . . . . . . . . . . . . 17419 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17419 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17419 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17419 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17419 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17419 1 7 HCCH-TOCSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17419 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17419 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 17419 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17419 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17419 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17419 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 17419 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCACB' . . . 17419 1 3 '3D CBCA(CO)NH' . . . 17419 1 5 '3D 1H-15N TOCSY' . . . 17419 1 7 HCCH-TOCSY . . . 17419 1 8 '2D 1H-15N HSQC' . . . 17419 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS CA C 13 56.4808 . . 1 . . . A 2 LYS CA . 17419 1 2 . 1 1 2 2 LYS CB C 13 33.2612 . . 1 . . . A 2 LYS CB . 17419 1 3 . 1 1 3 3 ALA H H 1 8.3759 . . 1 . . . A 3 ALA H . 17419 1 4 . 1 1 3 3 ALA HA H 1 4.3780 . . 1 . . . A 3 ALA HA . 17419 1 5 . 1 1 3 3 ALA HB1 H 1 1.4162 . . . . . . A 3 ALA HB* . 17419 1 6 . 1 1 3 3 ALA HB2 H 1 1.4162 . . . . . . A 3 ALA HB* . 17419 1 7 . 1 1 3 3 ALA HB3 H 1 1.4162 . . . . . . A 3 ALA HB* . 17419 1 8 . 1 1 3 3 ALA CA C 13 52.3460 . . 1 . . . A 3 ALA CA . 17419 1 9 . 1 1 3 3 ALA CB C 13 19.6097 . . 1 . . . A 3 ALA CB . 17419 1 10 . 1 1 3 3 ALA N N 15 126.1333 . . 1 . . . A 3 ALA N . 17419 1 11 . 1 1 4 4 LYS H H 1 8.2816 . . 1 . . . A 4 LYS H . 17419 1 12 . 1 1 4 4 LYS CA C 13 56.2606 . . 1 . . . A 4 LYS CA . 17419 1 13 . 1 1 4 4 LYS CB C 13 33.3463 . . 1 . . . A 4 LYS CB . 17419 1 14 . 1 1 4 4 LYS N N 15 121.3200 . . 1 . . . A 4 LYS N . 17419 1 15 . 1 1 5 5 LYS H H 1 8.3559 . . 1 . . . A 5 LYS H . 17419 1 16 . 1 1 5 5 LYS CA C 13 56.4255 . . 1 . . . A 5 LYS CA . 17419 1 17 . 1 1 5 5 LYS CB C 13 33.2387 . . 1 . . . A 5 LYS CB . 17419 1 18 . 1 1 5 5 LYS N N 15 123.2627 . . 1 . . . A 5 LYS N . 17419 1 19 . 1 1 6 6 GLN H H 1 8.4244 . . 1 . . . A 6 GLN H . 17419 1 20 . 1 1 6 6 GLN HA H 1 4.3464 . . 1 . . . A 6 GLN HA . 17419 1 21 . 1 1 6 6 GLN HB2 H 1 2.0634 . . . . . . A 6 GLN HB2|HB3 . 17419 1 22 . 1 1 6 6 GLN HB3 H 1 2.1344 . . . . . . A 6 GLN HB3|HB2 . 17419 1 23 . 1 1 6 6 GLN HG2 H 1 2.4230 . . . . . . A 6 GLN HG* . 17419 1 24 . 1 1 6 6 GLN HG3 H 1 2.4230 . . . . . . A 6 GLN HG* . 17419 1 25 . 1 1 6 6 GLN CA C 13 56.0064 . . 1 . . . A 6 GLN CA . 17419 1 26 . 1 1 6 6 GLN CB C 13 29.7147 . . 1 . . . A 6 GLN CB . 17419 1 27 . 1 1 6 6 GLN CG C 13 33.7464 . . 1 . . . A 6 GLN CG . 17419 1 28 . 1 1 6 6 GLN N N 15 122.0811 . . 1 . . . A 6 GLN N . 17419 1 29 . 1 1 7 7 GLU H H 1 8.5469 . . 1 . . . A 7 GLU H . 17419 1 30 . 1 1 7 7 GLU HA H 1 4.4033 . . 1 . . . A 7 GLU HA . 17419 1 31 . 1 1 7 7 GLU HB2 H 1 2.0076 . . . . . . A 7 GLU HB2|HB3 . 17419 1 32 . 1 1 7 7 GLU HB3 H 1 2.1444 . . . . . . A 7 GLU HB3|HB2 . 17419 1 33 . 1 1 7 7 GLU HG2 H 1 2.3270 . . . . . . A 7 GLU HG* . 17419 1 34 . 1 1 7 7 GLU HG3 H 1 2.3270 . . . . . . A 7 GLU HG* . 17419 1 35 . 1 1 7 7 GLU CA C 13 56.8527 . . 1 . . . A 7 GLU CA . 17419 1 36 . 1 1 7 7 GLU CB C 13 30.4222 . . 1 . . . A 7 GLU CB . 17419 1 37 . 1 1 7 7 GLU CG C 13 36.3866 . . 1 . . . A 7 GLU CG . 17419 1 38 . 1 1 7 7 GLU N N 15 122.5524 . . 1 . . . A 7 GLU N . 17419 1 39 . 1 1 8 8 THR H H 1 8.0900 . . 1 . . . A 8 THR H . 17419 1 40 . 1 1 8 8 THR HA H 1 4.4082 . . 1 . . . A 8 THR HA . 17419 1 41 . 1 1 8 8 THR HB H 1 4.2943 . . 1 . . . A 8 THR HB . 17419 1 42 . 1 1 8 8 THR HG21 H 1 1.2598 . . . . . . A 8 THR HG2* . 17419 1 43 . 1 1 8 8 THR HG22 H 1 1.2598 . . . . . . A 8 THR HG2* . 17419 1 44 . 1 1 8 8 THR HG23 H 1 1.2598 . . . . . . A 8 THR HG2* . 17419 1 45 . 1 1 8 8 THR CA C 13 61.3682 . . 1 . . . A 8 THR CA . 17419 1 46 . 1 1 8 8 THR CB C 13 70.2225 . . 1 . . . A 8 THR CB . 17419 1 47 . 1 1 8 8 THR CG2 C 13 21.7074 . . 1 . . . A 8 THR CG2 . 17419 1 48 . 1 1 8 8 THR N N 15 114.8640 . . 1 . . . A 8 THR N . 17419 1 49 . 1 1 9 9 ALA H H 1 8.3167 . . 1 . . . A 9 ALA H . 17419 1 50 . 1 1 9 9 ALA HA H 1 4.4488 . . 1 . . . A 9 ALA HA . 17419 1 51 . 1 1 9 9 ALA HB1 H 1 1.4863 . . . . . . A 9 ALA HB1 . 17419 1 52 . 1 1 9 9 ALA HB2 H 1 1.4863 . . . . . . A 9 ALA HB2 . 17419 1 53 . 1 1 9 9 ALA HB3 H 1 1.4863 . . . . . . A 9 ALA HB3 . 17419 1 54 . 1 1 9 9 ALA CA C 13 52.3081 . . 1 . . . A 9 ALA CA . 17419 1 55 . 1 1 9 9 ALA CB C 13 19.8345 . . 1 . . . A 9 ALA CB . 17419 1 56 . 1 1 9 9 ALA N N 15 126.8345 . . 1 . . . A 9 ALA N . 17419 1 57 . 1 1 10 10 ALA H H 1 8.2520 . . 1 . . . A 10 ALA H . 17419 1 58 . 1 1 10 10 ALA HA H 1 4.7033 . . 1 . . . A 10 ALA HA . 17419 1 59 . 1 1 10 10 ALA HB1 H 1 1.4895 . . . . . . A 10 ALA HB1 . 17419 1 60 . 1 1 10 10 ALA HB2 H 1 1.4895 . . . . . . A 10 ALA HB2 . 17419 1 61 . 1 1 10 10 ALA HB3 H 1 1.4895 . . . . . . A 10 ALA HB3 . 17419 1 62 . 1 1 10 10 ALA CA C 13 52.1822 . . 1 . . . A 10 ALA CA . 17419 1 63 . 1 1 10 10 ALA CB C 13 20.2123 . . 1 . . . A 10 ALA CB . 17419 1 64 . 1 1 10 10 ALA N N 15 123.1169 . . 1 . . . A 10 ALA N . 17419 1 65 . 1 1 11 11 THR H H 1 9.1673 . . 1 . . . A 11 THR H . 17419 1 66 . 1 1 11 11 THR HA H 1 4.9864 . . 1 . . . A 11 THR HA . 17419 1 67 . 1 1 11 11 THR HB H 1 4.7002 . . 1 . . . A 11 THR HB . 17419 1 68 . 1 1 11 11 THR HG21 H 1 1.5044 . . . . . . A 11 THR HG21 . 17419 1 69 . 1 1 11 11 THR HG22 H 1 1.5044 . . . . . . A 11 THR HG22 . 17419 1 70 . 1 1 11 11 THR HG23 H 1 1.5044 . . . . . . A 11 THR HG23 . 17419 1 71 . 1 1 11 11 THR CA C 13 60.1933 . . 1 . . . A 11 THR CA . 17419 1 72 . 1 1 11 11 THR CB C 13 72.5288 . . 1 . . . A 11 THR CB . 17419 1 73 . 1 1 11 11 THR CG2 C 13 21.5880 . . 1 . . . A 11 THR CG2 . 17419 1 74 . 1 1 11 11 THR N N 15 111.9912 . . 1 . . . A 11 THR N . 17419 1 75 . 1 1 12 12 MET H H 1 9.9749 . . 1 . . . A 12 MET H . 17419 1 76 . 1 1 12 12 MET HA H 1 4.9865 . . 1 . . . A 12 MET HA . 17419 1 77 . 1 1 12 12 MET CA C 13 61.5527 . . 1 . . . A 12 MET CA . 17419 1 78 . 1 1 12 12 MET CB C 13 31.4117 . . 1 . . . A 12 MET CB . 17419 1 79 . 1 1 12 12 MET N N 15 120.4865 . . 1 . . . A 12 MET N . 17419 1 80 . 1 1 13 13 LYS H H 1 8.2488 . . 1 . . . A 13 LYS H . 17419 1 81 . 1 1 13 13 LYS HA H 1 4.0142 . . 1 . . . A 13 LYS HA . 17419 1 82 . 1 1 13 13 LYS HB2 H 1 1.8558 . . . . . . A 13 LYS HB2 . 17419 1 83 . 1 1 13 13 LYS HB3 H 1 1.8878 . . . . . . A 13 LYS HB3 . 17419 1 84 . 1 1 13 13 LYS HG2 H 1 1.1482 . . . . . . A 13 LYS HG2 . 17419 1 85 . 1 1 13 13 LYS HG3 H 1 1.1482 . . . . . . A 13 LYS HG3 . 17419 1 86 . 1 1 13 13 LYS HE2 H 1 2.6871 . . . . . . A 13 LYS HE2 . 17419 1 87 . 1 1 13 13 LYS HE3 H 1 2.6871 . . . . . . A 13 LYS HE3 . 17419 1 88 . 1 1 13 13 LYS CA C 13 59.5029 . . 1 . . . A 13 LYS CA . 17419 1 89 . 1 1 13 13 LYS CB C 13 31.7587 . . 1 . . . A 13 LYS CB . 17419 1 90 . 1 1 13 13 LYS N N 15 120.5217 . . 1 . . . A 13 LYS N . 17419 1 91 . 1 1 14 14 ASP H H 1 7.4681 . . 1 . . . A 14 ASP H . 17419 1 92 . 1 1 14 14 ASP HA H 1 4.4364 . . 1 . . . A 14 ASP HA . 17419 1 93 . 1 1 14 14 ASP HB2 H 1 2.6989 . . . . . . A 14 ASP HB2 . 17419 1 94 . 1 1 14 14 ASP HB3 H 1 3.1303 . . . . . . A 14 ASP HB3 . 17419 1 95 . 1 1 14 14 ASP CA C 13 57.9174 . . 1 . . . A 14 ASP CA . 17419 1 96 . 1 1 14 14 ASP CB C 13 41.3124 . . 1 . . . A 14 ASP CB . 17419 1 97 . 1 1 14 14 ASP N N 15 119.0483 . . 1 . . . A 14 ASP N . 17419 1 98 . 1 1 15 15 VAL H H 1 7.3484 . . 1 . . . A 15 VAL H . 17419 1 99 . 1 1 15 15 VAL HA H 1 3.2829 . . 1 . . . A 15 VAL HA . 17419 1 100 . 1 1 15 15 VAL HB H 1 2.2218 . . 1 . . . A 15 VAL HB . 17419 1 101 . 1 1 15 15 VAL HG11 H 1 0.7830 . . . . . . A 15 VAL HG11 . 17419 1 102 . 1 1 15 15 VAL HG12 H 1 0.7830 . . . . . . A 15 VAL HG12 . 17419 1 103 . 1 1 15 15 VAL HG13 H 1 0.7830 . . . . . . A 15 VAL HG13 . 17419 1 104 . 1 1 15 15 VAL HG21 H 1 0.8130 . . . . . . A 15 VAL HG21 . 17419 1 105 . 1 1 15 15 VAL HG22 H 1 0.8130 . . . . . . A 15 VAL HG22 . 17419 1 106 . 1 1 15 15 VAL HG23 H 1 0.8130 . . . . . . A 15 VAL HG23 . 17419 1 107 . 1 1 15 15 VAL CA C 13 66.1897 . . 1 . . . A 15 VAL CA . 17419 1 108 . 1 1 15 15 VAL CB C 13 31.1959 . . 1 . . . A 15 VAL CB . 17419 1 109 . 1 1 15 15 VAL CG1 C 13 22.7154 . . . . . . A 15 VAL CG1 . 17419 1 110 . 1 1 15 15 VAL CG2 C 13 23.7436 . . . . . . A 15 VAL CG2 . 17419 1 111 . 1 1 15 15 VAL N N 15 119.2148 . . 1 . . . A 15 VAL N . 17419 1 112 . 1 1 16 16 ALA H H 1 8.6131 . . 1 . . . A 16 ALA H . 17419 1 113 . 1 1 16 16 ALA HA H 1 3.5221 . . 1 . . . A 16 ALA HA . 17419 1 114 . 1 1 16 16 ALA HB1 H 1 1.5182 . . . . . . A 16 ALA HB1 . 17419 1 115 . 1 1 16 16 ALA HB2 H 1 1.5182 . . . . . . A 16 ALA HB2 . 17419 1 116 . 1 1 16 16 ALA HB3 H 1 1.5182 . . . . . . A 16 ALA HB3 . 17419 1 117 . 1 1 16 16 ALA CA C 13 55.7216 . . 1 . . . A 16 ALA CA . 17419 1 118 . 1 1 16 16 ALA CB C 13 18.1930 . . 1 . . . A 16 ALA CB . 17419 1 119 . 1 1 16 16 ALA N N 15 123.5193 . . 1 . . . A 16 ALA N . 17419 1 120 . 1 1 17 17 LEU H H 1 7.9833 . . 1 . . . A 17 LEU H . 17419 1 121 . 1 1 17 17 LEU HA H 1 4.2291 . . 1 . . . A 17 LEU HA . 17419 1 122 . 1 1 17 17 LEU HB2 H 1 1.6630 . . . . . . A 17 LEU HB2 . 17419 1 123 . 1 1 17 17 LEU HB3 H 1 1.8808 . . . . . . A 17 LEU HB3 . 17419 1 124 . 1 1 17 17 LEU HG H 1 1.8715 . . 1 . . . A 17 LEU HG . 17419 1 125 . 1 1 17 17 LEU HD11 H 1 0.9866 . . . . . . A 17 LEU HD11 . 17419 1 126 . 1 1 17 17 LEU HD12 H 1 0.9866 . . . . . . A 17 LEU HD11 . 17419 1 127 . 1 1 17 17 LEU HD13 H 1 0.9866 . . . . . . A 17 LEU HD11 . 17419 1 128 . 1 1 17 17 LEU HD21 H 1 1.0083 . . . . . . A 17 LEU HD21 . 17419 1 129 . 1 1 17 17 LEU HD22 H 1 1.0083 . . . . . . A 17 LEU HD21 . 17419 1 130 . 1 1 17 17 LEU HD23 H 1 1.0083 . . . . . . A 17 LEU HD21 . 17419 1 131 . 1 1 17 17 LEU CA C 13 57.6228 . . 1 . . . A 17 LEU CA . 17419 1 132 . 1 1 17 17 LEU CB C 13 42.2250 . . 1 . . . A 17 LEU CB . 17419 1 133 . 1 1 17 17 LEU CG C 13 27.4273 . . 1 . . . A 17 LEU CG . 17419 1 134 . 1 1 17 17 LEU CD1 C 13 23.8155 . . . . . . A 17 LEU CD1 . 17419 1 135 . 1 1 17 17 LEU CD2 C 13 25.3061 . . . . . . A 17 LEU CD2 . 17419 1 136 . 1 1 17 17 LEU N N 15 116.8208 . . 1 . . . A 17 LEU N . 17419 1 137 . 1 1 18 18 LYS H H 1 7.2834 . . 1 . . . A 18 LYS H . 17419 1 138 . 1 1 18 18 LYS HA H 1 4.2306 . . 1 . . . A 18 LYS HA . 17419 1 139 . 1 1 18 18 LYS HB2 H 1 1.9166 . . . . . . A 18 LYS HB2 . 17419 1 140 . 1 1 18 18 LYS HB3 H 1 2.0605 . . . . . . A 18 LYS HB3 . 17419 1 141 . 1 1 18 18 LYS HG2 H 1 1.5718 . . . . . . A 18 LYS HG2 . 17419 1 142 . 1 1 18 18 LYS HG3 H 1 1.6655 . . . . . . A 18 LYS HG3 . 17419 1 143 . 1 1 18 18 LYS HE2 H 1 3.2992 . . . . . . A 18 LYS HE2 . 17419 1 144 . 1 1 18 18 LYS HE3 H 1 3.2992 . . . . . . A 18 LYS HE3 . 17419 1 145 . 1 1 18 18 LYS CA C 13 57.7520 . . 1 . . . A 18 LYS CA . 17419 1 146 . 1 1 18 18 LYS CB C 13 32.3708 . . 1 . . . A 18 LYS CB . 17419 1 147 . 1 1 18 18 LYS CG C 13 24.6145 . . 1 . . . A 18 LYS CG . 17419 1 148 . 1 1 18 18 LYS N N 15 118.7360 . . 1 . . . A 18 LYS N . 17419 1 149 . 1 1 19 19 ALA H H 1 8.4871 . . 1 . . . A 19 ALA H . 17419 1 150 . 1 1 19 19 ALA HA H 1 4.2516 . . 1 . . . A 19 ALA HA . 17419 1 151 . 1 1 19 19 ALA HB1 H 1 1.2955 . . . . . . A 19 ALA HB1 . 17419 1 152 . 1 1 19 19 ALA HB2 H 1 1.2955 . . . . . . A 19 ALA HB2 . 17419 1 153 . 1 1 19 19 ALA HB3 H 1 1.2955 . . . . . . A 19 ALA HB3 . 17419 1 154 . 1 1 19 19 ALA CA C 13 52.3613 . . 1 . . . A 19 ALA CA . 17419 1 155 . 1 1 19 19 ALA CB C 13 19.4631 . . 1 . . . A 19 ALA CB . 17419 1 156 . 1 1 19 19 ALA N N 15 119.0152 . . 1 . . . A 19 ALA N . 17419 1 157 . 1 1 20 20 LYS H H 1 8.0822 . . 1 . . . A 20 LYS H . 17419 1 158 . 1 1 20 20 LYS HA H 1 4.0164 . . 1 . . . A 20 LYS HA . 17419 1 159 . 1 1 20 20 LYS HB2 H 1 1.9482 . . . . . . A 20 LYS HB2 . 17419 1 160 . 1 1 20 20 LYS HB3 H 1 2.1649 . . . . . . A 20 LYS HB3 . 17419 1 161 . 1 1 20 20 LYS HG2 H 1 1.4434 . . . . . . A 20 LYS HG2 . 17419 1 162 . 1 1 20 20 LYS HG3 H 1 1.4434 . . . . . . A 20 LYS HG3 . 17419 1 163 . 1 1 20 20 LYS HD2 H 1 1.7426 . . . . . . A 20 LYS HD2 . 17419 1 164 . 1 1 20 20 LYS HD3 H 1 1.7426 . . . . . . A 20 LYS HD3 . 17419 1 165 . 1 1 20 20 LYS HE2 H 1 3.0774 . . . . . . A 20 LYS HE2 . 17419 1 166 . 1 1 20 20 LYS HE3 H 1 3.0774 . . . . . . A 20 LYS HE3 . 17419 1 167 . 1 1 20 20 LYS CA C 13 57.2426 . . 1 . . . A 20 LYS CA . 17419 1 168 . 1 1 20 20 LYS CB C 13 28.9161 . . 1 . . . A 20 LYS CB . 17419 1 169 . 1 1 20 20 LYS N N 15 116.3420 . . 1 . . . A 20 LYS N . 17419 1 170 . 1 1 21 21 VAL H H 1 7.8828 . . 1 . . . A 21 VAL H . 17419 1 171 . 1 1 21 21 VAL HA H 1 4.9577 . . 1 . . . A 21 VAL HA . 17419 1 172 . 1 1 21 21 VAL HB H 1 2.3849 . . 1 . . . A 21 VAL HB . 17419 1 173 . 1 1 21 21 VAL HG11 H 1 0.6741 . . . . . . A 21 VAL HG11 . 17419 1 174 . 1 1 21 21 VAL HG12 H 1 0.6741 . . . . . . A 21 VAL HG12 . 17419 1 175 . 1 1 21 21 VAL HG13 H 1 0.6741 . . . . . . A 21 VAL HG13 . 17419 1 176 . 1 1 21 21 VAL HG21 H 1 0.9176 . . . . . . A 21 VAL HG21 . 17419 1 177 . 1 1 21 21 VAL HG22 H 1 0.9176 . . . . . . A 21 VAL HG22 . 17419 1 178 . 1 1 21 21 VAL HG23 H 1 0.9176 . . . . . . A 21 VAL HG23 . 17419 1 179 . 1 1 21 21 VAL CA C 13 58.6585 . . 1 . . . A 21 VAL CA . 17419 1 180 . 1 1 21 21 VAL CB C 13 35.5556 . . 1 . . . A 21 VAL CB . 17419 1 181 . 1 1 21 21 VAL CG1 C 13 18.9413 . . . . . . A 21 VAL CG1 . 17419 1 182 . 1 1 21 21 VAL CG2 C 13 22.0457 . . . . . . A 21 VAL CG2 . 17419 1 183 . 1 1 21 21 VAL N N 15 110.1425 . . 1 . . . A 21 VAL N . 17419 1 184 . 1 1 22 22 SER H H 1 8.5949 . . 1 . . . A 22 SER H . 17419 1 185 . 1 1 22 22 SER HA H 1 4.8106 . . 1 . . . A 22 SER HA . 17419 1 186 . 1 1 22 22 SER HB2 H 1 4.1186 . . . . . . A 22 SER HB2 . 17419 1 187 . 1 1 22 22 SER HB3 H 1 4.4591 . . . . . . A 22 SER HB3 . 17419 1 188 . 1 1 22 22 SER CA C 13 58.2312 . . 1 . . . A 22 SER CA . 17419 1 189 . 1 1 22 22 SER CB C 13 66.7893 . . 1 . . . A 22 SER CB . 17419 1 190 . 1 1 22 22 SER N N 15 113.9064 . . 1 . . . A 22 SER N . 17419 1 191 . 1 1 23 23 THR H H 1 9.0893 . . 1 . . . A 23 THR H . 17419 1 192 . 1 1 23 23 THR HA H 1 3.6062 . . 1 . . . A 23 THR HA . 17419 1 193 . 1 1 23 23 THR HB H 1 4.1236 . . 1 . . . A 23 THR HB . 17419 1 194 . 1 1 23 23 THR HG21 H 1 1.1435 . . . . . . A 23 THR HG21 . 17419 1 195 . 1 1 23 23 THR HG22 H 1 1.1435 . . . . . . A 23 THR HG22 . 17419 1 196 . 1 1 23 23 THR HG23 H 1 1.1435 . . . . . . A 23 THR HG23 . 17419 1 197 . 1 1 23 23 THR CA C 13 66.3203 . . 1 . . . A 23 THR CA . 17419 1 198 . 1 1 23 23 THR CB C 13 67.3357 . . 1 . . . A 23 THR CB . 17419 1 199 . 1 1 23 23 THR CG2 C 13 23.4717 . . 1 . . . A 23 THR CG2 . 17419 1 200 . 1 1 23 23 THR N N 15 115.6759 . . 1 . . . A 23 THR N . 17419 1 201 . 1 1 24 24 ALA H H 1 8.1288 . . 1 . . . A 24 ALA H . 17419 1 202 . 1 1 24 24 ALA HA H 1 4.0137 . . 1 . . . A 24 ALA HA . 17419 1 203 . 1 1 24 24 ALA HB1 H 1 1.2850 . . . . . . A 24 ALA HB1 . 17419 1 204 . 1 1 24 24 ALA HB2 H 1 1.2850 . . . . . . A 24 ALA HB2 . 17419 1 205 . 1 1 24 24 ALA HB3 H 1 1.2850 . . . . . . A 24 ALA HB3 . 17419 1 206 . 1 1 24 24 ALA CA C 13 55.2653 . . 1 . . . A 24 ALA CA . 17419 1 207 . 1 1 24 24 ALA CB C 13 20.0943 . . 1 . . . A 24 ALA CB . 17419 1 208 . 1 1 24 24 ALA N N 15 123.1024 . . 1 . . . A 24 ALA N . 17419 1 209 . 1 1 25 25 THR H H 1 7.3901 . . 1 . . . A 25 THR H . 17419 1 210 . 1 1 25 25 THR HA H 1 4.0392 . . 1 . . . A 25 THR HA . 17419 1 211 . 1 1 25 25 THR HB H 1 4.3224 . . 1 . . . A 25 THR HB . 17419 1 212 . 1 1 25 25 THR HG21 H 1 1.1731 . . . . . . A 25 THR HG21 . 17419 1 213 . 1 1 25 25 THR HG22 H 1 1.1731 . . . . . . A 25 THR HG22 . 17419 1 214 . 1 1 25 25 THR HG23 H 1 1.1731 . . . . . . A 25 THR HG23 . 17419 1 215 . 1 1 25 25 THR CA C 13 65.3486 . . 1 . . . A 25 THR CA . 17419 1 216 . 1 1 25 25 THR CB C 13 67.2451 . . 1 . . . A 25 THR CB . 17419 1 217 . 1 1 25 25 THR CG2 C 13 24.3009 . . 1 . . . A 25 THR CG2 . 17419 1 218 . 1 1 25 25 THR N N 15 116.3212 . . 1 . . . A 25 THR N . 17419 1 219 . 1 1 26 26 VAL H H 1 7.6145 . . 1 . . . A 26 VAL H . 17419 1 220 . 1 1 26 26 VAL HA H 1 3.5093 . . 1 . . . A 26 VAL HA . 17419 1 221 . 1 1 26 26 VAL HB H 1 2.2664 . . 1 . . . A 26 VAL HB . 17419 1 222 . 1 1 26 26 VAL HG11 H 1 0.8215 . . . . . . A 26 VAL HG11 . 17419 1 223 . 1 1 26 26 VAL HG12 H 1 0.8215 . . . . . . A 26 VAL HG12 . 17419 1 224 . 1 1 26 26 VAL HG13 H 1 0.8215 . . . . . . A 26 VAL HG13 . 17419 1 225 . 1 1 26 26 VAL HG21 H 1 0.8872 . . . . . . A 26 VAL HG21 . 17419 1 226 . 1 1 26 26 VAL HG22 H 1 0.8872 . . . . . . A 26 VAL HG22 . 17419 1 227 . 1 1 26 26 VAL HG23 H 1 0.8872 . . . . . . A 26 VAL HG23 . 17419 1 228 . 1 1 26 26 VAL CA C 13 67.3357 . . 1 . . . A 26 VAL CA . 17419 1 229 . 1 1 26 26 VAL CB C 13 31.1976 . . 1 . . . A 26 VAL CB . 17419 1 230 . 1 1 26 26 VAL CG1 C 13 21.0666 . . . . . . A 26 VAL CG1 . 17419 1 231 . 1 1 26 26 VAL CG2 C 13 21.9289 . . . . . . A 26 VAL CG2 . 17419 1 232 . 1 1 26 26 VAL N N 15 122.7596 . . 1 . . . A 26 VAL N . 17419 1 233 . 1 1 27 27 SER H H 1 7.8949 . . 1 . . . A 27 SER H . 17419 1 234 . 1 1 27 27 SER HA H 1 4.0647 . . 1 . . . A 27 SER HA . 17419 1 235 . 1 1 27 27 SER HB2 H 1 3.9881 . . . . . . A 27 SER HB2 . 17419 1 236 . 1 1 27 27 SER HB3 H 1 3.9881 . . . . . . A 27 SER HB3 . 17419 1 237 . 1 1 27 27 SER CA C 13 61.3495 . . 1 . . . A 27 SER CA . 17419 1 238 . 1 1 27 27 SER CB C 13 63.6238 . . 1 . . . A 27 SER CB . 17419 1 239 . 1 1 27 27 SER N N 15 112.1578 . . 1 . . . A 27 SER N . 17419 1 240 . 1 1 28 28 ARG H H 1 8.3190 . . 1 . . . A 28 ARG H . 17419 1 241 . 1 1 28 28 ARG HA H 1 4.0130 . . 1 . . . A 28 ARG HA . 17419 1 242 . 1 1 28 28 ARG HB2 H 1 1.8647 . . . . . . A 28 ARG HB2 . 17419 1 243 . 1 1 28 28 ARG HB3 H 1 1.9002 . . . . . . A 28 ARG HB3 . 17419 1 244 . 1 1 28 28 ARG HG2 H 1 1.5662 . . . . . . A 28 ARG HG2 . 17419 1 245 . 1 1 28 28 ARG HG3 H 1 1.6723 . . . . . . A 28 ARG HG3 . 17419 1 246 . 1 1 28 28 ARG HD2 H 1 2.6978 . . . . . . A 28 ARG HD2 . 17419 1 247 . 1 1 28 28 ARG HD3 H 1 2.6978 . . . . . . A 28 ARG HD3 . 17419 1 248 . 1 1 28 28 ARG CA C 13 59.4268 . . 1 . . . A 28 ARG CA . 17419 1 249 . 1 1 28 28 ARG CB C 13 30.9959 . . 1 . . . A 28 ARG CB . 17419 1 250 . 1 1 28 28 ARG N N 15 116.7792 . . 1 . . . A 28 ARG N . 17419 1 251 . 1 1 29 29 ALA H H 1 8.9019 . . 1 . . . A 29 ALA H . 17419 1 252 . 1 1 29 29 ALA HA H 1 3.7460 . . 1 . . . A 29 ALA HA . 17419 1 253 . 1 1 29 29 ALA HB1 H 1 1.5501 . . . . . . A 29 ALA HB1 . 17419 1 254 . 1 1 29 29 ALA HB2 H 1 1.5501 . . . . . . A 29 ALA HB2 . 17419 1 255 . 1 1 29 29 ALA HB3 H 1 1.5501 . . . . . . A 29 ALA HB3 . 17419 1 256 . 1 1 29 29 ALA CA C 13 55.4934 . . 1 . . . A 29 ALA CA . 17419 1 257 . 1 1 29 29 ALA CB C 13 19.0295 . . 1 . . . A 29 ALA CB . 17419 1 258 . 1 1 29 29 ALA N N 15 119.5479 . . 1 . . . A 29 ALA N . 17419 1 259 . 1 1 30 30 LEU H H 1 7.7005 . . 1 . . . A 30 LEU H . 17419 1 260 . 1 1 30 30 LEU HA H 1 4.4244 . . 1 . . . A 30 LEU HA . 17419 1 261 . 1 1 30 30 LEU HB2 H 1 1.9141 . . . . . . A 30 LEU HB2 . 17419 1 262 . 1 1 30 30 LEU HB3 H 1 1.9141 . . . . . . A 30 LEU HB3 . 17419 1 263 . 1 1 30 30 LEU HD11 H 1 0.9042 . . . . . . A 30 LEU HD12 . 17419 1 264 . 1 1 30 30 LEU HD12 H 1 0.9042 . . . . . . A 30 LEU HD12 . 17419 1 265 . 1 1 30 30 LEU HD13 H 1 0.9042 . . . . . . A 30 LEU HD12 . 17419 1 266 . 1 1 30 30 LEU CA C 13 56.2083 . . 1 . . . A 30 LEU CA . 17419 1 267 . 1 1 30 30 LEU CB C 13 42.1268 . . 1 . . . A 30 LEU CB . 17419 1 268 . 1 1 30 30 LEU N N 15 111.3066 . . 1 . . . A 30 LEU N . 17419 1 269 . 1 1 31 31 MET H H 1 8.4595 . . 1 . . . A 31 MET H . 17419 1 270 . 1 1 31 31 MET HA H 1 4.8245 . . 1 . . . A 31 MET HA . 17419 1 271 . 1 1 31 31 MET HB2 H 1 2.1267 . . . . . . A 31 MET HB2 . 17419 1 272 . 1 1 31 31 MET HB3 H 1 2.3396 . . . . . . A 31 MET HB3 . 17419 1 273 . 1 1 31 31 MET HG2 H 1 2.6686 . . . . . . A 31 MET HG2 . 17419 1 274 . 1 1 31 31 MET HG3 H 1 3.2773 . . . . . . A 31 MET HG3 . 17419 1 275 . 1 1 31 31 MET HE1 H 1 2.1957 . . . . . . A 31 MET HE1 . 17419 1 276 . 1 1 31 31 MET HE2 H 1 2.1957 . . . . . . A 31 MET HE2 . 17419 1 277 . 1 1 31 31 MET HE3 H 1 2.1957 . . . . . . A 31 MET HE3 . 17419 1 278 . 1 1 31 31 MET CA C 13 55.2997 . . 1 . . . A 31 MET CA . 17419 1 279 . 1 1 31 31 MET CB C 13 33.2510 . . 1 . . . A 31 MET CB . 17419 1 280 . 1 1 31 31 MET CG C 13 32.2836 . . 1 . . . A 31 MET CG . 17419 1 281 . 1 1 31 31 MET CE C 13 17.3979 . . 1 . . . A 31 MET CE . 17419 1 282 . 1 1 31 31 MET N N 15 115.4677 . . 1 . . . A 31 MET N . 17419 1 283 . 1 1 32 32 ASN H H 1 9.1335 . . 1 . . . A 32 ASN H . 17419 1 284 . 1 1 32 32 ASN HA H 1 5.1686 . . 1 . . . A 32 ASN HA . 17419 1 285 . 1 1 32 32 ASN HB2 H 1 2.6277 . . . . . . A 32 ASN HB2 . 17419 1 286 . 1 1 32 32 ASN HB3 H 1 2.9831 . . . . . . A 32 ASN HB3 . 17419 1 287 . 1 1 32 32 ASN HD21 H 1 6.9287 . . . . . . A 32 ASN HD21 . 17419 1 288 . 1 1 32 32 ASN CA C 13 51.6688 . . 1 . . . A 32 ASN CA . 17419 1 289 . 1 1 32 32 ASN CB C 13 39.5395 . . 1 . . . A 32 ASN CB . 17419 1 290 . 1 1 32 32 ASN N N 15 119.5687 . . 1 . . . A 32 ASN N . 17419 1 291 . 1 1 33 33 PRO CA C 13 65.6752 . . 1 . . . A 33 PRO CA . 17419 1 292 . 1 1 33 33 PRO CB C 13 31.7805 . . 1 . . . A 33 PRO CB . 17419 1 293 . 1 1 34 34 ASP H H 1 8.4335 . . 1 . . . A 34 ASP H . 17419 1 294 . 1 1 34 34 ASP HA H 1 4.5703 . . 1 . . . A 34 ASP HA . 17419 1 295 . 1 1 34 34 ASP HB2 H 1 2.6964 . . . . . . A 34 ASP HB2 . 17419 1 296 . 1 1 34 34 ASP HB3 H 1 2.7833 . . . . . . A 34 ASP HB3 . 17419 1 297 . 1 1 34 34 ASP CA C 13 56.2357 . . 1 . . . A 34 ASP CA . 17419 1 298 . 1 1 34 34 ASP CB C 13 40.2197 . . 1 . . . A 34 ASP CB . 17419 1 299 . 1 1 34 34 ASP N N 15 117.1747 . . 1 . . . A 34 ASP N . 17419 1 300 . 1 1 35 35 LYS H H 1 8.2488 . . 1 . . . A 35 LYS H . 17419 1 301 . 1 1 35 35 LYS HA H 1 4.4424 . . 1 . . . A 35 LYS HA . 17419 1 302 . 1 1 35 35 LYS HB2 H 1 1.8476 . . . . . . A 35 LYS HB2 . 17419 1 303 . 1 1 35 35 LYS CA C 13 55.7120 . . 1 . . . A 35 LYS CA . 17419 1 304 . 1 1 35 35 LYS CB C 13 33.2443 . . 1 . . . A 35 LYS CB . 17419 1 305 . 1 1 35 35 LYS N N 15 116.0090 . . 1 . . . A 35 LYS N . 17419 1 306 . 1 1 36 36 VAL H H 1 7.6997 . . 1 . . . A 36 VAL H . 17419 1 307 . 1 1 36 36 VAL HA H 1 4.7004 . . 1 . . . A 36 VAL HA . 17419 1 308 . 1 1 36 36 VAL HB H 1 2.0769 . . 1 . . . A 36 VAL HB . 17419 1 309 . 1 1 36 36 VAL HG11 H 1 0.9278 . . . . . . A 36 VAL HG11 . 17419 1 310 . 1 1 36 36 VAL HG12 H 1 0.9278 . . . . . . A 36 VAL HG12 . 17419 1 311 . 1 1 36 36 VAL HG13 H 1 0.9278 . . . . . . A 36 VAL HG13 . 17419 1 312 . 1 1 36 36 VAL HG21 H 1 1.1557 . . . . . . A 36 VAL HG21 . 17419 1 313 . 1 1 36 36 VAL HG22 H 1 1.1557 . . . . . . A 36 VAL HG22 . 17419 1 314 . 1 1 36 36 VAL HG23 H 1 1.1557 . . . . . . A 36 VAL HG23 . 17419 1 315 . 1 1 36 36 VAL CA C 13 59.5017 . . 1 . . . A 36 VAL CA . 17419 1 316 . 1 1 36 36 VAL CB C 13 34.6644 . . 1 . . . A 36 VAL CB . 17419 1 317 . 1 1 36 36 VAL CG1 C 13 21.0677 . . . . . . A 36 VAL CG1 . 17419 1 318 . 1 1 36 36 VAL CG2 C 13 22.2175 . . . . . . A 36 VAL CG2 . 17419 1 319 . 1 1 36 36 VAL N N 15 117.5078 . . 1 . . . A 36 VAL N . 17419 1 320 . 1 1 37 37 SER H H 1 9.3963 . . 1 . . . A 37 SER H . 17419 1 321 . 1 1 37 37 SER HA H 1 4.5695 . . 1 . . . A 37 SER HA . 17419 1 322 . 1 1 37 37 SER HB2 H 1 4.3797 . . . . . . A 37 SER HB2 . 17419 1 323 . 1 1 37 37 SER HB3 H 1 4.3797 . . . . . . A 37 SER HB3 . 17419 1 324 . 1 1 37 37 SER CA C 13 58.7716 . . 1 . . . A 37 SER CA . 17419 1 325 . 1 1 37 37 SER CB C 13 64.4765 . . 1 . . . A 37 SER CB . 17419 1 326 . 1 1 37 37 SER N N 15 122.1084 . . 1 . . . A 37 SER N . 17419 1 327 . 1 1 38 38 GLN H H 1 9.0919 . . 1 . . . A 38 GLN H . 17419 1 328 . 1 1 38 38 GLN HA H 1 3.9282 . . 1 . . . A 38 GLN HA . 17419 1 329 . 1 1 38 38 GLN HB2 H 1 2.1751 . . . . . . A 38 GLN HB2 . 17419 1 330 . 1 1 38 38 GLN HB3 H 1 2.2622 . . . . . . A 38 GLN HB3 . 17419 1 331 . 1 1 38 38 GLN HG2 H 1 2.4759 . . . . . . A 38 GLN HG2 . 17419 1 332 . 1 1 38 38 GLN HG3 H 1 2.4759 . . . . . . A 38 GLN HG3 . 17419 1 333 . 1 1 38 38 GLN HE21 H 1 7.0362 . . . . . . A 38 GLN HE21 . 17419 1 334 . 1 1 38 38 GLN HE22 H 1 7.6658 . . . . . . A 38 GLN HE22 . 17419 1 335 . 1 1 38 38 GLN CA C 13 60.1101 . . 1 . . . A 38 GLN CA . 17419 1 336 . 1 1 38 38 GLN CB C 13 28.5503 . . 1 . . . A 38 GLN CB . 17419 1 337 . 1 1 38 38 GLN CG C 13 33.9222 . . 1 . . . A 38 GLN CG . 17419 1 338 . 1 1 38 38 GLN N N 15 123.9403 . . 1 . . . A 38 GLN N . 17419 1 339 . 1 1 39 39 ALA H H 1 8.7510 . . 1 . . . A 39 ALA H . 17419 1 340 . 1 1 39 39 ALA HA H 1 4.2124 . . 1 . . . A 39 ALA HA . 17419 1 341 . 1 1 39 39 ALA HB1 H 1 1.5258 . . . . . . A 39 ALA HB1 . 17419 1 342 . 1 1 39 39 ALA HB2 H 1 1.5258 . . . . . . A 39 ALA HB2 . 17419 1 343 . 1 1 39 39 ALA HB3 H 1 1.5258 . . . . . . A 39 ALA HB3 . 17419 1 344 . 1 1 39 39 ALA CA C 13 55.3904 . . 1 . . . A 39 ALA CA . 17419 1 345 . 1 1 39 39 ALA CB C 13 18.2655 . . 1 . . . A 39 ALA CB . 17419 1 346 . 1 1 39 39 ALA N N 15 120.4014 . . 1 . . . A 39 ALA N . 17419 1 347 . 1 1 40 40 THR H H 1 7.7335 . . 1 . . . A 40 THR H . 17419 1 348 . 1 1 40 40 THR HA H 1 3.8523 . . 1 . . . A 40 THR HA . 17419 1 349 . 1 1 40 40 THR HB H 1 4.3710 . . 1 . . . A 40 THR HB . 17419 1 350 . 1 1 40 40 THR HG21 H 1 1.1438 . . . . . . A 40 THR HG21 . 17419 1 351 . 1 1 40 40 THR HG22 H 1 1.1438 . . . . . . A 40 THR HG22 . 17419 1 352 . 1 1 40 40 THR HG23 H 1 1.1438 . . . . . . A 40 THR HG23 . 17419 1 353 . 1 1 40 40 THR CA C 13 66.0354 . . 1 . . . A 40 THR CA . 17419 1 354 . 1 1 40 40 THR CB C 13 67.0882 . . 1 . . . A 40 THR CB . 17419 1 355 . 1 1 40 40 THR CG2 C 13 24.0865 . . 1 . . . A 40 THR CG2 . 17419 1 356 . 1 1 40 40 THR N N 15 118.6111 . . 1 . . . A 40 THR N . 17419 1 357 . 1 1 41 41 ARG H H 1 9.0008 . . 1 . . . A 41 ARG H . 17419 1 358 . 1 1 41 41 ARG HA H 1 3.7102 . . 1 . . . A 41 ARG HA . 17419 1 359 . 1 1 41 41 ARG HB2 H 1 2.0116 . . . . . . A 41 ARG HB2 . 17419 1 360 . 1 1 41 41 ARG HB3 H 1 2.0116 . . . . . . A 41 ARG HB3 . 17419 1 361 . 1 1 41 41 ARG HD2 H 1 3.3948 . . . . . . A 41 ARG HD2 . 17419 1 362 . 1 1 41 41 ARG HD3 H 1 3.3948 . . . . . . A 41 ARG HD3 . 17419 1 363 . 1 1 41 41 ARG CA C 13 61.0756 . . 1 . . . A 41 ARG CA . 17419 1 364 . 1 1 41 41 ARG CB C 13 30.0000 . . 1 . . . A 41 ARG CB . 17419 1 365 . 1 1 41 41 ARG N N 15 123.8570 . . 1 . . . A 41 ARG N . 17419 1 366 . 1 1 42 42 ASN H H 1 8.2462 . . 1 . . . A 42 ASN H . 17419 1 367 . 1 1 42 42 ASN HA H 1 4.5434 . . 1 . . . A 42 ASN HA . 17419 1 368 . 1 1 42 42 ASN HB2 H 1 2.9076 . . . . . . A 42 ASN HB2 . 17419 1 369 . 1 1 42 42 ASN HB3 H 1 3.0056 . . . . . . A 42 ASN HB3 . 17419 1 370 . 1 1 42 42 ASN CA C 13 56.5074 . . 1 . . . A 42 ASN CA . 17419 1 371 . 1 1 42 42 ASN CB C 13 38.4385 . . 1 . . . A 42 ASN CB . 17419 1 372 . 1 1 42 42 ASN N N 15 116.5710 . . 1 . . . A 42 ASN N . 17419 1 373 . 1 1 43 43 ARG H H 1 7.7679 . . 1 . . . A 43 ARG H . 17419 1 374 . 1 1 43 43 ARG HA H 1 4.1630 . . 1 . . . A 43 ARG HA . 17419 1 375 . 1 1 43 43 ARG HB2 H 1 2.0193 . . . . . . A 43 ARG HB2 . 17419 1 376 . 1 1 43 43 ARG HB3 H 1 2.1286 . . . . . . A 43 ARG HB3 . 17419 1 377 . 1 1 43 43 ARG CA C 13 59.9901 . . 1 . . . A 43 ARG CA . 17419 1 378 . 1 1 43 43 ARG CB C 13 31.0133 . . 1 . . . A 43 ARG CB . 17419 1 379 . 1 1 43 43 ARG N N 15 120.2498 . . 1 . . . A 43 ARG N . 17419 1 380 . 1 1 44 44 VAL H H 1 8.4910 . . 1 . . . A 44 VAL H . 17419 1 381 . 1 1 44 44 VAL HA H 1 3.3831 . . 1 . . . A 44 VAL HA . 17419 1 382 . 1 1 44 44 VAL HB H 1 2.1278 . . 1 . . . A 44 VAL HB . 17419 1 383 . 1 1 44 44 VAL HG11 H 1 0.8741 . . . . . . A 44 VAL HG11 . 17419 1 384 . 1 1 44 44 VAL HG12 H 1 0.8741 . . . . . . A 44 VAL HG12 . 17419 1 385 . 1 1 44 44 VAL HG13 H 1 0.8741 . . . . . . A 44 VAL HG13 . 17419 1 386 . 1 1 44 44 VAL HG21 H 1 0.9552 . . . . . . A 44 VAL HG21 . 17419 1 387 . 1 1 44 44 VAL HG22 H 1 0.9552 . . . . . . A 44 VAL HG22 . 17419 1 388 . 1 1 44 44 VAL HG23 H 1 0.9552 . . . . . . A 44 VAL HG23 . 17419 1 389 . 1 1 44 44 VAL CA C 13 67.3638 . . 1 . . . A 44 VAL CA . 17419 1 390 . 1 1 44 44 VAL CB C 13 31.3495 . . 1 . . . A 44 VAL CB . 17419 1 391 . 1 1 44 44 VAL CG1 C 13 24.0117 . . . . . . A 44 VAL CG1 . 17419 1 392 . 1 1 44 44 VAL CG2 C 13 22.8044 . . . . . . A 44 VAL CG2 . 17419 1 393 . 1 1 44 44 VAL N N 15 120.6505 . . 1 . . . A 44 VAL N . 17419 1 394 . 1 1 45 45 GLU H H 1 8.7354 . . 1 . . . A 45 GLU H . 17419 1 395 . 1 1 45 45 GLU HA H 1 3.8770 . . 1 . . . A 45 GLU HA . 17419 1 396 . 1 1 45 45 GLU HB2 H 1 2.1150 . . . . . . A 45 GLU HB2 . 17419 1 397 . 1 1 45 45 GLU HB3 H 1 2.2279 . . . . . . A 45 GLU HB3 . 17419 1 398 . 1 1 45 45 GLU HG2 H 1 2.2335 . . . . . . A 45 GLU HG2 . 17419 1 399 . 1 1 45 45 GLU HG3 H 1 2.5250 . . . . . . A 45 GLU HG3 . 17419 1 400 . 1 1 45 45 GLU CA C 13 60.6734 . . 1 . . . A 45 GLU CA . 17419 1 401 . 1 1 45 45 GLU CB C 13 29.5741 . . 1 . . . A 45 GLU CB . 17419 1 402 . 1 1 45 45 GLU CG C 13 36.8615 . . 1 . . . A 45 GLU CG . 17419 1 403 . 1 1 45 45 GLU N N 15 120.0475 . . 1 . . . A 45 GLU N . 17419 1 404 . 1 1 46 46 LYS H H 1 7.8715 . . 1 . . . A 46 LYS H . 17419 1 405 . 1 1 46 46 LYS HA H 1 4.0650 . . 1 . . . A 46 LYS HA . 17419 1 406 . 1 1 46 46 LYS HB2 H 1 1.9777 . . . . . . A 46 LYS HB2 . 17419 1 407 . 1 1 46 46 LYS HB3 H 1 1.9777 . . . . . . A 46 LYS HB3 . 17419 1 408 . 1 1 46 46 LYS HG2 H 1 1.4846 . . . . . . A 46 LYS HG2 . 17419 1 409 . 1 1 46 46 LYS HG3 H 1 1.6001 . . . . . . A 46 LYS HG3 . 17419 1 410 . 1 1 46 46 LYS CA C 13 59.8193 . . 1 . . . A 46 LYS CA . 17419 1 411 . 1 1 46 46 LYS CB C 13 32.7769 . . 1 . . . A 46 LYS CB . 17419 1 412 . 1 1 46 46 LYS N N 15 118.6944 . . 1 . . . A 46 LYS N . 17419 1 413 . 1 1 47 47 ALA H H 1 7.7833 . . 1 . . . A 47 ALA H . 17419 1 414 . 1 1 47 47 ALA HA H 1 4.2527 . . 1 . . . A 47 ALA HA . 17419 1 415 . 1 1 47 47 ALA HB1 H 1 1.5853 . . . . . . A 47 ALA HB1 . 17419 1 416 . 1 1 47 47 ALA HB2 H 1 1.5853 . . . . . . A 47 ALA HB2 . 17419 1 417 . 1 1 47 47 ALA HB3 H 1 1.5853 . . . . . . A 47 ALA HB3 . 17419 1 418 . 1 1 47 47 ALA CA C 13 54.9795 . . 1 . . . A 47 ALA CA . 17419 1 419 . 1 1 47 47 ALA CB C 13 19.9655 . . 1 . . . A 47 ALA CB . 17419 1 420 . 1 1 47 47 ALA N N 15 121.6207 . . 1 . . . A 47 ALA N . 17419 1 421 . 1 1 48 48 ALA H H 1 9.0762 . . 1 . . . A 48 ALA H . 17419 1 422 . 1 1 48 48 ALA HA H 1 4.1159 . . 1 . . . A 48 ALA HA . 17419 1 423 . 1 1 48 48 ALA HB1 H 1 1.6934 . . . . . . A 48 ALA HB1 . 17419 1 424 . 1 1 48 48 ALA HB2 H 1 1.6934 . . . . . . A 48 ALA HB2 . 17419 1 425 . 1 1 48 48 ALA HB3 H 1 1.6934 . . . . . . A 48 ALA HB3 . 17419 1 426 . 1 1 48 48 ALA CA C 13 55.6218 . . 1 . . . A 48 ALA CA . 17419 1 427 . 1 1 48 48 ALA CB C 13 17.4744 . . 1 . . . A 48 ALA CB . 17419 1 428 . 1 1 48 48 ALA N N 15 119.3605 . . 1 . . . A 48 ALA N . 17419 1 429 . 1 1 49 49 ARG H H 1 7.8923 . . 1 . . . A 49 ARG H . 17419 1 430 . 1 1 49 49 ARG HA H 1 4.3235 . . 1 . . . A 49 ARG HA . 17419 1 431 . 1 1 49 49 ARG HB2 H 1 1.9817 . . . . . . A 49 ARG HB2 . 17419 1 432 . 1 1 49 49 ARG HB3 H 1 2.0974 . . . . . . A 49 ARG HB3 . 17419 1 433 . 1 1 49 49 ARG HG2 H 1 1.6909 . . . . . . A 49 ARG HG2 . 17419 1 434 . 1 1 49 49 ARG HG3 H 1 1.6909 . . . . . . A 49 ARG HG3 . 17419 1 435 . 1 1 49 49 ARG HD2 H 1 3.3143 . . . . . . A 49 ARG HD2 . 17419 1 436 . 1 1 49 49 ARG HD3 H 1 3.3143 . . . . . . A 49 ARG HD3 . 17419 1 437 . 1 1 49 49 ARG CA C 13 59.1814 . . 1 . . . A 49 ARG CA . 17419 1 438 . 1 1 49 49 ARG CB C 13 30.2145 . . 1 . . . A 49 ARG CB . 17419 1 439 . 1 1 49 49 ARG N N 15 118.1739 . . 1 . . . A 49 ARG N . 17419 1 440 . 1 1 50 50 GLU H H 1 8.1390 . . 1 . . . A 50 GLU H . 17419 1 441 . 1 1 50 50 GLU HA H 1 4.1062 . . 1 . . . A 50 GLU HA . 17419 1 442 . 1 1 50 50 GLU HB2 H 1 2.1124 . . . . . . A 50 GLU HB2 . 17419 1 443 . 1 1 50 50 GLU HB3 H 1 2.3436 . . . . . . A 50 GLU HB3 . 17419 1 444 . 1 1 50 50 GLU HG2 H 1 2.3100 . . . . . . A 50 GLU HG2 . 17419 1 445 . 1 1 50 50 GLU HG3 H 1 2.5924 . . . . . . A 50 GLU HG3 . 17419 1 446 . 1 1 50 50 GLU CA C 13 59.7499 . . 1 . . . A 50 GLU CA . 17419 1 447 . 1 1 50 50 GLU CB C 13 30.0011 . . 1 . . . A 50 GLU CB . 17419 1 448 . 1 1 50 50 GLU CG C 13 36.7366 . . 1 . . . A 50 GLU CG . 17419 1 449 . 1 1 50 50 GLU N N 15 120.2438 . . 1 . . . A 50 GLU N . 17419 1 450 . 1 1 51 51 VAL H H 1 8.0088 . . 1 . . . A 51 VAL H . 17419 1 451 . 1 1 51 51 VAL HA H 1 4.4585 . . 1 . . . A 51 VAL HA . 17419 1 452 . 1 1 51 51 VAL HB H 1 2.5166 . . 1 . . . A 51 VAL HB . 17419 1 453 . 1 1 51 51 VAL HG11 H 1 1.0329 . . . . . . A 51 VAL HG12 . 17419 1 454 . 1 1 51 51 VAL HG12 H 1 1.0329 . . . . . . A 51 VAL HG12 . 17419 1 455 . 1 1 51 51 VAL HG13 H 1 1.0329 . . . . . . A 51 VAL HG12 . 17419 1 456 . 1 1 51 51 VAL CA C 13 61.3869 . . 1 . . . A 51 VAL CA . 17419 1 457 . 1 1 51 51 VAL CB C 13 32.0652 . . 1 . . . A 51 VAL CB . 17419 1 458 . 1 1 51 51 VAL CG1 C 13 20.9012 . . . . . . A 51 VAL CG1 . 17419 1 459 . 1 1 51 51 VAL CG2 C 13 20.9012 . . . . . . A 51 VAL CG2 . 17419 1 460 . 1 1 51 51 VAL N N 15 110.0364 . . 1 . . . A 51 VAL N . 17419 1 461 . 1 1 52 52 GLY H H 1 7.6674 . . 1 . . . A 52 GLY H . 17419 1 462 . 1 1 52 52 GLY HA2 H 1 3.8588 . . . . . . A 52 GLY HA2 . 17419 1 463 . 1 1 52 52 GLY HA3 H 1 4.1235 . . . . . . A 52 GLY HA3 . 17419 1 464 . 1 1 52 52 GLY CA C 13 46.2102 . . 1 . . . A 52 GLY CA . 17419 1 465 . 1 1 52 52 GLY N N 15 109.5060 . . 1 . . . A 52 GLY N . 17419 1 466 . 1 1 53 53 TYR H H 1 8.4068 . . 1 . . . A 53 TYR H . 17419 1 467 . 1 1 53 53 TYR HA H 1 4.1875 . . 1 . . . A 53 TYR HA . 17419 1 468 . 1 1 53 53 TYR HB2 H 1 2.5165 . . . . . . A 53 TYR HB2 . 17419 1 469 . 1 1 53 53 TYR HB3 H 1 2.6852 . . . . . . A 53 TYR HB3 . 17419 1 470 . 1 1 53 53 TYR HE1 H 1 6.6573 . . . . . . A 53 TYR HE1 . 17419 1 471 . 1 1 53 53 TYR HE2 H 1 6.6573 . . . . . . A 53 TYR HE2 . 17419 1 472 . 1 1 53 53 TYR CA C 13 59.6622 . . 1 . . . A 53 TYR CA . 17419 1 473 . 1 1 53 53 TYR CB C 13 40.2542 . . 1 . . . A 53 TYR CB . 17419 1 474 . 1 1 53 53 TYR N N 15 121.5832 . . 1 . . . A 53 TYR N . 17419 1 475 . 1 1 54 54 LEU H H 1 7.3843 . . 1 . . . A 54 LEU H . 17419 1 476 . 1 1 54 54 LEU HA H 1 4.6790 . . 1 . . . A 54 LEU HA . 17419 1 477 . 1 1 54 54 LEU HB2 H 1 1.4022 . . . . . . A 54 LEU HB2 . 17419 1 478 . 1 1 54 54 LEU HB3 H 1 1.4839 . . . . . . A 54 LEU HB3 . 17419 1 479 . 1 1 54 54 LEU HG H 1 1.5433 . . 1 . . . A 54 LEU HG . 17419 1 480 . 1 1 54 54 LEU HD11 H 1 0.8938 . . . . . . A 54 LEU HD11 . 17419 1 481 . 1 1 54 54 LEU HD12 H 1 0.8938 . . . . . . A 54 LEU HD11 . 17419 1 482 . 1 1 54 54 LEU HD13 H 1 0.8938 . . . . . . A 54 LEU HD11 . 17419 1 483 . 1 1 54 54 LEU HD21 H 1 0.9388 . . . . . . A 54 LEU HD21 . 17419 1 484 . 1 1 54 54 LEU HD22 H 1 0.9388 . . . . . . A 54 LEU HD21 . 17419 1 485 . 1 1 54 54 LEU HD23 H 1 0.9388 . . . . . . A 54 LEU HD21 . 17419 1 486 . 1 1 54 54 LEU CA C 13 51.4771 . . 1 . . . A 54 LEU CA . 17419 1 487 . 1 1 54 54 LEU CB C 13 43.4570 . . 1 . . . A 54 LEU CB . 17419 1 488 . 1 1 54 54 LEU CG C 13 26.7763 . . 1 . . . A 54 LEU CG . 17419 1 489 . 1 1 54 54 LEU CD1 C 13 23.8600 . . . . . . A 54 LEU CD1 . 17419 1 490 . 1 1 54 54 LEU CD2 C 13 25.1293 . . . . . . A 54 LEU CD2 . 17419 1 491 . 1 1 54 54 LEU N N 15 127.2489 . . 1 . . . A 54 LEU N . 17419 1 492 . 1 1 55 55 PRO HA H 1 4.3678 . . 1 . . . A 55 PRO HA . 17419 1 493 . 1 1 55 55 PRO HB2 H 1 1.9920 . . . . . . A 55 PRO HB2 . 17419 1 494 . 1 1 55 55 PRO HB3 H 1 2.2804 . . . . . . A 55 PRO HB3 . 17419 1 495 . 1 1 55 55 PRO HG2 H 1 1.9918 . . . . . . A 55 PRO HG2 . 17419 1 496 . 1 1 55 55 PRO HG3 H 1 2.1024 . . . . . . A 55 PRO HG3 . 17419 1 497 . 1 1 55 55 PRO HD2 H 1 3.6469 . . . . . . A 55 PRO HD2 . 17419 1 498 . 1 1 55 55 PRO HD3 H 1 3.6469 . . . . . . A 55 PRO HD3 . 17419 1 499 . 1 1 55 55 PRO CA C 13 62.7862 . . 1 . . . A 55 PRO CA . 17419 1 500 . 1 1 55 55 PRO CB C 13 32.2347 . . 1 . . . A 55 PRO CB . 17419 1 501 . 1 1 55 55 PRO CG C 13 27.4338 . . 1 . . . A 55 PRO CG . 17419 1 502 . 1 1 55 55 PRO CD C 13 50.2928 . . 1 . . . A 55 PRO CD . 17419 1 503 . 1 1 56 56 GLN H H 1 8.5063 . . 1 . . . A 56 GLN H . 17419 1 504 . 1 1 56 56 GLN HA H 1 4.6181 . . 1 . . . A 56 GLN HA . 17419 1 505 . 1 1 56 56 GLN HB2 H 1 1.9717 . . . . . . A 56 GLN HB2|HB3 . 17419 1 506 . 1 1 56 56 GLN HB3 H 1 2.1396 . . . . . . A 56 GLN HB3|HB2 . 17419 1 507 . 1 1 56 56 GLN HG2 H 1 2.4437 . . . . . . A 56 GLN HG* . 17419 1 508 . 1 1 56 56 GLN HG3 H 1 2.4437 . . . . . . A 56 GLN HG* . 17419 1 509 . 1 1 56 56 GLN HE21 H 1 6.8594 . . . . . . A 56 GLN HE21|HE22 . 17419 1 510 . 1 1 56 56 GLN CA C 13 53.6697 . . 1 . . . A 56 GLN CA . 17419 1 511 . 1 1 56 56 GLN CB C 13 29.1753 . . 1 . . . A 56 GLN CB . 17419 1 512 . 1 1 56 56 GLN CG C 13 33.2954 . . 1 . . . A 56 GLN CG . 17419 1 513 . 1 1 56 56 GLN N N 15 121.5230 . . 1 . . . A 56 GLN N . 17419 1 514 . 1 1 57 57 PRO HA H 1 4.4680 . . 1 . . . A 57 PRO HA . 17419 1 515 . 1 1 57 57 PRO HB2 H 1 1.9608 . . . . . . A 57 PRO HB2|HB3 . 17419 1 516 . 1 1 57 57 PRO HB3 H 1 2.3392 . . . . . . A 57 PRO HB3|HB2 . 17419 1 517 . 1 1 57 57 PRO HG2 H 1 2.0595 . . . . . . A 57 PRO HG2|HG3 . 17419 1 518 . 1 1 57 57 PRO HG3 H 1 2.0829 . . . . . . A 57 PRO HG3|HG2 . 17419 1 519 . 1 1 57 57 PRO HD2 H 1 3.6999 . . . . . . A 57 PRO HD2|HD3 . 17419 1 520 . 1 1 57 57 PRO HD3 H 1 3.7281 . . . . . . A 57 PRO HD3|HD2 . 17419 1 521 . 1 1 57 57 PRO CA C 13 63.4954 . . 1 . . . A 57 PRO CA . 17419 1 522 . 1 1 57 57 PRO CB C 13 31.9620 . . 1 . . . A 57 PRO CB . 17419 1 523 . 1 1 57 57 PRO CG C 13 28.0885 . . 1 . . . A 57 PRO CG . 17419 1 524 . 1 1 57 57 PRO CD C 13 50.5656 . . 1 . . . A 57 PRO CD . 17419 1 525 . 1 1 58 58 MET H H 1 8.4291 . . 1 . . . A 58 MET H . 17419 1 526 . 1 1 58 58 MET HA H 1 4.5254 . . 1 . . . A 58 MET HA . 17419 1 527 . 1 1 58 58 MET HB2 H 1 2.0995 . . . . . . A 58 MET HB2|HB3 . 17419 1 528 . 1 1 58 58 MET HB3 H 1 2.1668 . . . . . . A 58 MET HB3|HB2 . 17419 1 529 . 1 1 58 58 MET HG2 H 1 2.6377 . . . . . . A 58 MET HG2|HG3 . 17419 1 530 . 1 1 58 58 MET HG3 H 1 2.6966 . . . . . . A 58 MET HG3|HG2 . 17419 1 531 . 1 1 58 58 MET HE1 H 1 0.9553 . . . . . . A 58 MET HE* . 17419 1 532 . 1 1 58 58 MET HE2 H 1 0.9553 . . . . . . A 58 MET HE* . 17419 1 533 . 1 1 58 58 MET HE3 H 1 0.9553 . . . . . . A 58 MET HE* . 17419 1 534 . 1 1 58 58 MET CA C 13 55.7476 . . 1 . . . A 58 MET CA . 17419 1 535 . 1 1 58 58 MET CB C 13 33.2079 . . 1 . . . A 58 MET CB . 17419 1 536 . 1 1 58 58 MET CG C 13 32.0467 . . 1 . . . A 58 MET CG . 17419 1 537 . 1 1 58 58 MET N N 15 120.2457 . . 1 . . . A 58 MET N . 17419 1 538 . 1 1 59 59 GLY H H 1 8.3868 . . 1 . . . A 59 GLY H . 17419 1 539 . 1 1 59 59 GLY HA2 H 1 4.0029 . . . . . . A 59 GLY HA* . 17419 1 540 . 1 1 59 59 GLY HA3 H 1 4.0029 . . . . . . A 59 GLY HA* . 17419 1 541 . 1 1 59 59 GLY CA C 13 45.5484 . . 1 . . . A 59 GLY CA . 17419 1 542 . 1 1 59 59 GLY N N 15 109.8508 . . 1 . . . A 59 GLY N . 17419 1 543 . 1 1 60 60 ARG H H 1 8.1936 . . 1 . . . A 60 ARG H . 17419 1 544 . 1 1 60 60 ARG HA H 1 4.3597 . . 1 . . . A 60 ARG HA . 17419 1 545 . 1 1 60 60 ARG HB2 H 1 1.7982 . . . . . . A 60 ARG HB2|HB3 . 17419 1 546 . 1 1 60 60 ARG HB3 H 1 1.8819 . . . . . . A 60 ARG HB3|HB2 . 17419 1 547 . 1 1 60 60 ARG HG2 H 1 1.6575 . . . . . . A 60 ARG HG2|HG3 . 17419 1 548 . 1 1 60 60 ARG HG3 H 1 1.6865 . . . . . . A 60 ARG HG3|HG2 . 17419 1 549 . 1 1 60 60 ARG HD2 H 1 3.2585 . . . . . . A 60 ARG HD* . 17419 1 550 . 1 1 60 60 ARG HD3 H 1 3.2585 . . . . . . A 60 ARG HD* . 17419 1 551 . 1 1 60 60 ARG CA C 13 56.3717 . . 1 . . . A 60 ARG CA . 17419 1 552 . 1 1 60 60 ARG CB C 13 30.8592 . . 1 . . . A 60 ARG CB . 17419 1 553 . 1 1 60 60 ARG N N 15 120.2487 . . 1 . . . A 60 ARG N . 17419 1 554 . 1 1 61 61 ASN H H 1 8.5094 . . 1 . . . A 61 ASN H . 17419 1 555 . 1 1 61 61 ASN HA H 1 4.7591 . . 1 . . . A 61 ASN HA . 17419 1 556 . 1 1 61 61 ASN HB2 H 1 2.8013 . . . . . . A 61 ASN HB2|HB3 . 17419 1 557 . 1 1 61 61 ASN HB3 H 1 2.8851 . . . . . . A 61 ASN HB3|HB2 . 17419 1 558 . 1 1 61 61 ASN CA C 13 53.4535 . . 1 . . . A 61 ASN CA . 17419 1 559 . 1 1 61 61 ASN CB C 13 38.9730 . . 1 . . . A 61 ASN CB . 17419 1 560 . 1 1 61 61 ASN N N 15 119.5324 . . 1 . . . A 61 ASN N . 17419 1 561 . 1 1 62 62 VAL H H 1 7.9053 . . 1 . . . A 62 VAL H . 17419 1 562 . 1 1 62 62 VAL HA H 1 4.1399 . . 1 . . . A 62 VAL HA . 17419 1 563 . 1 1 62 62 VAL HB H 1 2.1196 . . 1 . . . A 62 VAL HB . 17419 1 564 . 1 1 62 62 VAL HG11 H 1 0.9320 . . . . . . A 62 VAL HG12 . 17419 1 565 . 1 1 62 62 VAL HG12 H 1 0.9320 . . . . . . A 62 VAL HG12 . 17419 1 566 . 1 1 62 62 VAL HG13 H 1 0.9320 . . . . . . A 62 VAL HG12 . 17419 1 567 . 1 1 62 62 VAL CA C 13 62.3503 . . 1 . . . A 62 VAL CA . 17419 1 568 . 1 1 62 62 VAL CB C 13 32.8521 . . 1 . . . A 62 VAL CB . 17419 1 569 . 1 1 62 62 VAL CG1 C 13 21.5386 . . . . . . A 62 VAL CG* . 17419 1 570 . 1 1 62 62 VAL CG2 C 13 21.5386 . . . . . . A 62 VAL CG* . 17419 1 571 . 1 1 62 62 VAL N N 15 120.0893 . . 1 . . . A 62 VAL N . 17419 1 572 . 1 1 63 63 LYS H H 1 8.3311 . . 1 . . . A 63 LYS H . 17419 1 573 . 1 1 63 63 LYS HA H 1 4.3714 . . 1 . . . A 63 LYS HA . 17419 1 574 . 1 1 63 63 LYS HB2 H 1 1.7884 . . . . . . A 63 LYS HB2|HB3 . 17419 1 575 . 1 1 63 63 LYS HB3 H 1 1.8695 . . . . . . A 63 LYS HB3|HB2 . 17419 1 576 . 1 1 63 63 LYS HG2 H 1 1.4693 . . . . . . A 63 LYS HG2|HG3 . 17419 1 577 . 1 1 63 63 LYS HG3 H 1 1.5101 . . . . . . A 63 LYS HG3|HG2 . 17419 1 578 . 1 1 63 63 LYS HD2 H 1 1.7508 . . . . . . A 63 LYS HD* . 17419 1 579 . 1 1 63 63 LYS HD3 H 1 1.7508 . . . . . . A 63 LYS HD* . 17419 1 580 . 1 1 63 63 LYS CA C 13 56.3005 . . 1 . . . A 63 LYS CA . 17419 1 581 . 1 1 63 63 LYS CB C 13 32.9944 . . 1 . . . A 63 LYS CB . 17419 1 582 . 1 1 63 63 LYS N N 15 125.1308 . . 1 . . . A 63 LYS N . 17419 1 583 . 1 1 64 64 ARG H H 1 8.3473 . . 1 . . . A 64 ARG H . 17419 1 584 . 1 1 64 64 ARG HA H 1 4.3759 . . 1 . . . A 64 ARG HA . 17419 1 585 . 1 1 64 64 ARG CA C 13 56.1167 . . 1 . . . A 64 ARG CA . 17419 1 586 . 1 1 64 64 ARG CB C 13 31.0832 . . 1 . . . A 64 ARG CB . 17419 1 587 . 1 1 64 64 ARG N N 15 122.7721 . . 1 . . . A 64 ARG N . 17419 1 588 . 1 1 65 65 ASN H H 1 8.4899 . . 1 . . . A 65 ASN H . 17419 1 589 . 1 1 65 65 ASN CA C 13 53.4787 . . 1 . . . A 65 ASN CA . 17419 1 590 . 1 1 65 65 ASN CB C 13 39.0579 . . 1 . . . A 65 ASN CB . 17419 1 591 . 1 1 65 65 ASN N N 15 120.1232 . . 1 . . . A 65 ASN N . 17419 1 592 . 1 1 66 66 GLU H H 1 8.3461 . . 1 . . . A 66 GLU H . 17419 1 593 . 1 1 66 66 GLU HA H 1 4.4157 . . 1 . . . A 66 GLU HA . 17419 1 594 . 1 1 66 66 GLU CA C 13 56.6788 . . 1 . . . A 66 GLU CA . 17419 1 595 . 1 1 66 66 GLU CB C 13 30.5799 . . 1 . . . A 66 GLU CB . 17419 1 596 . 1 1 66 66 GLU N N 15 121.6790 . . 1 . . . A 66 GLU N . 17419 1 597 . 1 1 67 67 SER H H 1 7.9331 . . 1 . . . A 67 SER H . 17419 1 598 . 1 1 67 67 SER HA H 1 4.3055 . . 1 . . . A 67 SER HA . 17419 1 599 . 1 1 67 67 SER HB2 H 1 3.8635 . . . . . . A 67 SER HB2|HB3 . 17419 1 600 . 1 1 67 67 SER HB3 H 1 3.8842 . . . . . . A 67 SER HB3|HB2 . 17419 1 601 . 1 1 67 67 SER CA C 13 60.1037 . . 1 . . . A 67 SER CA . 17419 1 602 . 1 1 67 67 SER CB C 13 65.0112 . . 1 . . . A 67 SER CB . 17419 1 603 . 1 1 67 67 SER N N 15 122.1271 . . 1 . . . A 67 SER N . 17419 1 stop_ save_