data_16831 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16831 _Entry.Title ; Solution structure of C-domain of Lsr2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-02 _Entry.Accession_date 2010-04-02 _Entry.Last_release_date 2010-05-11 _Entry.Original_release_date 2010-05-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yifei Li . . . 16831 2 Bin Xia . . . 16831 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 . 'not applicable' 'not applicable' . 16831 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA-binding domain' . 16831 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16831 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 16831 '15N chemical shifts' 54 16831 '1H chemical shifts' 292 16831 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-11 2010-04-02 original author . 16831 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KNG 'BMRB Entry Tracking System' 16831 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16831 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20133735 _Citation.Full_citation . _Citation.Title 'Lsr2 is a nucleoid-associated protein that targets AT-rich sequences and virulence genes in Mycobacterium tuberculosis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 107 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5154 _Citation.Page_last 5159 _Citation.Year 2010 _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 Blair Gordon . R.G. . 16831 1 2 Yifei Li . . . 16831 1 3 Linru Wang . . . 16831 1 4 Anna Sintsova . . . 16831 1 5 Harm 'van Bakel' . . . 16831 1 6 Songhai Tian . . . 16831 1 7 'William Wiley' Navarre . . . 16831 1 8 Bin Xia . . . 16831 1 9 Jun Liu . . . 16831 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16831 _Assembly.ID 1 _Assembly.Name 'C-domain of Lsr2' _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 Lsr2C 1 $Lsr2C A . yes native no no . . . 16831 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lsr2C _Entity.Sf_category entity _Entity.Sf_framecode Lsr2C _Entity.Entry_ID 16831 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Lsr2C _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 ; SGSGRGRGAIDREQSAAIRE WARRNGHNVSTRGRIPADVI DAYHAATLEHHHHHH ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 PDB 2KNG . "Solution Structure Of C-Domain Of Lsr2" . . . . . 100.00 55 100.00 100.00 5.56e-29 . . . . 16831 1 2 no DBJ BAH27935 . "putative lsr2 protein precursor [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 3 no DBJ BAL67717 . "iron-regulated LSR2 protein precursor [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 4 no DBJ BAN29552 . "LSR2 protein [Mycobacterium avium subsp. hominissuis TH135]" . . . . . 70.91 112 97.44 100.00 2.40e-17 . . . . 16831 1 5 no DBJ BAQ07815 . "iron-regulated LSR2 protein precursor [Mycobacterium tuberculosis str. Kurono]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 6 no DBJ GAA43492 . "iron-regulated LSR2 protein precursor [Mycobacterium tuberculosis NCGM2209]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 7 no EMBL CAA37572 . "LSR2 [Mycobacterium leprae]" . . . . . 70.91 89 97.44 100.00 4.29e-17 . . . . 16831 1 8 no EMBL CAC29742 . "lsr2 protein (15 kDa antigen) [Mycobacterium leprae]" . . . . . 70.91 112 97.44 100.00 3.13e-17 . . . . 16831 1 9 no EMBL CAL73651 . "Probable lsr2 protein precursor [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 10 no EMBL CAR70327 . "lsr2 protein (15 kDa antigen) [Mycobacterium leprae Br4923]" . . . . . 70.91 112 97.44 100.00 3.13e-17 . . . . 16831 1 11 no EMBL CCC28679 . "putative iron-regulated LSR2 protein precursor [Mycobacterium africanum GM041182]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 12 no GB AAA25351 . "antigen 15 kDa [Mycobacterium leprae]" . . . . . 70.91 112 97.44 100.00 3.13e-17 . . . . 16831 1 13 no GB AAK48061 . "lsr2 protein [Mycobacterium tuberculosis CDC1551]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 14 no GB AAS02777 . "Lsr2 [Mycobacterium avium subsp. paratuberculosis K-10]" . . . . . 70.91 112 97.44 100.00 2.40e-17 . . . . 16831 1 15 no GB ABK67018 . "Lsr2 protein [Mycobacterium avium 104]" . . . . . 70.91 108 97.44 100.00 2.63e-17 . . . . 16831 1 16 no GB ABL06215 . "iron-regulated Lsr2 protein precursor [Mycobacterium ulcerans Agy99]" . . . . . 69.09 113 97.37 100.00 1.50e-16 . . . . 16831 1 17 no REF NP_218114 . "iron-regulated H-NS-like protein [Mycobacterium tuberculosis H37Rv]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 18 no REF NP_301294 . "nucleoid-associated protein Lsr2 [Mycobacterium leprae TN]" . . . . . 70.91 112 97.44 100.00 3.13e-17 . . . . 16831 1 19 no REF NP_857267 . "LSR2 protein precursor [Mycobacterium bovis AF2122/97]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 20 no REF WP_003419513 . "MULTISPECIES: nucleoid-associated protein [Mycobacterium]" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 21 no REF WP_003875617 . "MULTISPECIES: hypothetical protein [Mycobacterium]" . . . . . 70.91 112 97.44 100.00 2.40e-17 . . . . 16831 1 22 no SP P24094 . "RecName: Full=Nucleoid-associated protein Lsr2; AltName: Full=15 kDa antigen; AltName: Full=A15" . . . . . 70.91 112 97.44 100.00 3.13e-17 . . . . 16831 1 23 no SP P65649 . "RecName: Full=Nucleoid-associated protein Lsr2" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 24 no SP P9WIP6 . "RecName: Full=Nucleoid-associated protein Lsr2" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 1 25 no SP P9WIP7 . "RecName: Full=Nucleoid-associated protein Lsr2" . . . . . 70.91 112 100.00 100.00 9.79e-18 . . . . 16831 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 . SER . 16831 1 2 . GLY . 16831 1 3 . SER . 16831 1 4 . GLY . 16831 1 5 . ARG . 16831 1 6 . GLY . 16831 1 7 . ARG . 16831 1 8 . GLY . 16831 1 9 . ALA . 16831 1 10 . ILE . 16831 1 11 . ASP . 16831 1 12 . ARG . 16831 1 13 . GLU . 16831 1 14 . GLN . 16831 1 15 . SER . 16831 1 16 . ALA . 16831 1 17 . ALA . 16831 1 18 . ILE . 16831 1 19 . ARG . 16831 1 20 . GLU . 16831 1 21 . TRP . 16831 1 22 . ALA . 16831 1 23 . ARG . 16831 1 24 . ARG . 16831 1 25 . ASN . 16831 1 26 . GLY . 16831 1 27 . HIS . 16831 1 28 . ASN . 16831 1 29 . VAL . 16831 1 30 . SER . 16831 1 31 . THR . 16831 1 32 . ARG . 16831 1 33 . GLY . 16831 1 34 . ARG . 16831 1 35 . ILE . 16831 1 36 . PRO . 16831 1 37 . ALA . 16831 1 38 . ASP . 16831 1 39 . VAL . 16831 1 40 . ILE . 16831 1 41 . ASP . 16831 1 42 . ALA . 16831 1 43 . TYR . 16831 1 44 . HIS . 16831 1 45 . ALA . 16831 1 46 . ALA . 16831 1 47 . THR . 16831 1 48 . LEU . 16831 1 49 . GLU . 16831 1 50 . HIS . 16831 1 51 . HIS . 16831 1 52 . HIS . 16831 1 53 . HIS . 16831 1 54 . HIS . 16831 1 55 . HIS . 16831 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 . SER 1 1 16831 1 . GLY 2 2 16831 1 . SER 3 3 16831 1 . GLY 4 4 16831 1 . ARG 5 5 16831 1 . GLY 6 6 16831 1 . ARG 7 7 16831 1 . GLY 8 8 16831 1 . ALA 9 9 16831 1 . ILE 10 10 16831 1 . ASP 11 11 16831 1 . ARG 12 12 16831 1 . GLU 13 13 16831 1 . GLN 14 14 16831 1 . SER 15 15 16831 1 . ALA 16 16 16831 1 . ALA 17 17 16831 1 . ILE 18 18 16831 1 . ARG 19 19 16831 1 . GLU 20 20 16831 1 . TRP 21 21 16831 1 . ALA 22 22 16831 1 . ARG 23 23 16831 1 . ARG 24 24 16831 1 . ASN 25 25 16831 1 . GLY 26 26 16831 1 . HIS 27 27 16831 1 . ASN 28 28 16831 1 . VAL 29 29 16831 1 . SER 30 30 16831 1 . THR 31 31 16831 1 . ARG 32 32 16831 1 . GLY 33 33 16831 1 . ARG 34 34 16831 1 . ILE 35 35 16831 1 . PRO 36 36 16831 1 . ALA 37 37 16831 1 . ASP 38 38 16831 1 . VAL 39 39 16831 1 . ILE 40 40 16831 1 . ASP 41 41 16831 1 . ALA 42 42 16831 1 . TYR 43 43 16831 1 . HIS 44 44 16831 1 . ALA 45 45 16831 1 . ALA 46 46 16831 1 . THR 47 47 16831 1 . LEU 48 48 16831 1 . GLU 49 49 16831 1 . HIS 50 50 16831 1 . HIS 51 51 16831 1 . HIS 52 52 16831 1 . HIS 53 53 16831 1 . HIS 54 54 16831 1 . HIS 55 55 16831 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 16831 _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 $Lsr2C . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 16831 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 16831 _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 $Lsr2C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21d . . . . . . 16831 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16831 _Sample.ID 1 _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 Lsr2C '[U-13C; U-15N]' . . 1 $Lsr2C . . 0.8 . . mM . . . . 16831 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16831 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16831 1 4 'PBS Na+' 'natural abundance' . . . . . . 50 . . mM . . . . 16831 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16831 1 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 16831 _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' 100 . mM 16831 1 pH 6.0 . pH 16831 1 pressure 1 . atm 16831 1 temperature 298 . K 16831 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16831 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16831 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16831 1 'Duggan, Legge, Dyson & Wright' . . 16831 1 'Johnson, One Moon Scientific' . . 16831 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16831 1 'data analysis' 16831 1 processing 16831 1 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 16831 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16831 _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 . 500 . . . 16831 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 16831 _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 . . . . . . . . . . . . . . . . 16831 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16831 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16831 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16831 1 5 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16831 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16831 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16831 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 16831 _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 na indirect 0.251449530 . . . . . . . . . 16831 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16831 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 16831 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 16831 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16831 1 6 '3D 1H-15N NOESY' . . . 16831 1 7 '3D 1H-13C NOESY' . . . 16831 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 8.627 . . 1 . . . . 66 s H . 16831 1 2 . 1 1 1 1 SER HA H 1 4.487 . . 1 . . . . 66 s HA . 16831 1 3 . 1 1 1 1 SER HB2 H 1 3.896 . . 2 . . . . 66 s HB2 . 16831 1 4 . 1 1 1 1 SER CA C 13 58.297 . . 1 . . . . 66 s CA . 16831 1 5 . 1 1 1 1 SER CB C 13 63.901 . . 1 . . . . 66 s CB . 16831 1 6 . 1 1 1 1 SER N N 15 119.660 . . 1 . . . . 66 s N . 16831 1 7 . 1 1 2 2 GLY H H 1 8.580 . . 1 . . . . 67 g HN . 16831 1 8 . 1 1 2 2 GLY HA2 H 1 4.086 . . 2 . . . . 67 g HA2 . 16831 1 9 . 1 1 2 2 GLY C C 13 175.272 . . 1 . . . . 67 g C . 16831 1 10 . 1 1 2 2 GLY CA C 13 45.295 . . 1 . . . . 67 g CA . 16831 1 11 . 1 1 2 2 GLY N N 15 111.865 . . 1 . . . . 67 g N . 16831 1 12 . 1 1 3 3 SER HA H 1 4.487 . . 1 . . . . 68 s HA . 16831 1 13 . 1 1 3 3 SER HB2 H 1 3.897 . . 2 . . . . 68 s HB2 . 16831 1 14 . 1 1 3 3 SER CA C 13 58.694 . . 1 . . . . 68 s CA . 16831 1 15 . 1 1 3 3 SER CB C 13 63.936 . . 1 . . . . 68 s CB . 16831 1 16 . 1 1 4 4 GLY HA2 H 1 3.959 . . 2 . . . . 69 g HA2 . 16831 1 17 . 1 1 4 4 GLY CA C 13 45.299 . . 1 . . . . 69 g CA . 16831 1 18 . 1 1 5 5 ARG H H 1 8.307 . . 1 . . . . 70 r HN . 16831 1 19 . 1 1 5 5 ARG HA H 1 4.319 . . 1 . . . . 70 r HA . 16831 1 20 . 1 1 5 5 ARG HB2 H 1 1.761 . . 2 . . . . 70 r HB1 . 16831 1 21 . 1 1 5 5 ARG HB3 H 1 1.884 . . 2 . . . . 70 r HB2 . 16831 1 22 . 1 1 5 5 ARG HD2 H 1 3.191 . . 2 . . . . 70 r HD2 . 16831 1 23 . 1 1 5 5 ARG HG2 H 1 1.643 . . 2 . . . . 70 r HG2 . 16831 1 24 . 1 1 5 5 ARG CA C 13 56.477 . . 1 . . . . 70 r CA . 16831 1 25 . 1 1 5 5 ARG CB C 13 30.819 . . 1 . . . . 70 r CB . 16831 1 26 . 1 1 5 5 ARG CD C 13 43.287 . . 1 . . . . 70 r CD . 16831 1 27 . 1 1 5 5 ARG CG C 13 26.950 . . 1 . . . . 70 r CG . 16831 1 28 . 1 1 6 6 GLY H H 1 8.533 . . 1 . . . . 71 g HN . 16831 1 29 . 1 1 6 6 GLY HA2 H 1 3.961 . . 2 . . . . 71 g HA2 . 16831 1 30 . 1 1 6 6 GLY C C 13 177.070 . . 1 . . . . 71 g C . 16831 1 31 . 1 1 6 6 GLY CA C 13 45.361 . . 1 . . . . 71 g CA . 16831 1 32 . 1 1 6 6 GLY N N 15 110.645 . . 1 . . . . 71 g N . 16831 1 33 . 1 1 7 7 ARG H H 1 8.356 . . 1 . . . . 72 r HN . 16831 1 34 . 1 1 7 7 ARG HA H 1 4.371 . . 1 . . . . 72 r HA . 16831 1 35 . 1 1 7 7 ARG HB2 H 1 1.769 . . 2 . . . . 72 r HB1 . 16831 1 36 . 1 1 7 7 ARG HB3 H 1 1.870 . . 2 . . . . 72 r HB2 . 16831 1 37 . 1 1 7 7 ARG HD2 H 1 3.190 . . 2 . . . . 72 r HD2 . 16831 1 38 . 1 1 7 7 ARG HG2 H 1 1.644 . . 2 . . . . 72 r HG2 . 16831 1 39 . 1 1 7 7 ARG C C 13 174.366 . . 1 . . . . 72 r C . 16831 1 40 . 1 1 7 7 ARG CA C 13 56.773 . . 1 . . . . 72 r CA . 16831 1 41 . 1 1 7 7 ARG CB C 13 30.845 . . 1 . . . . 72 r CB . 16831 1 42 . 1 1 7 7 ARG CD C 13 43.321 . . 1 . . . . 72 r CD . 16831 1 43 . 1 1 7 7 ARG CG C 13 26.821 . . 1 . . . . 72 r CG . 16831 1 44 . 1 1 7 7 ARG N N 15 121.500 . . 1 . . . . 72 r N . 16831 1 45 . 1 1 8 8 GLY H H 1 8.643 . . 1 . . . . 73 g HN . 16831 1 46 . 1 1 8 8 GLY HA2 H 1 3.959 . . 2 . . . . 73 g HA2 . 16831 1 47 . 1 1 8 8 GLY C C 13 176.939 . . 1 . . . . 73 g C . 16831 1 48 . 1 1 8 8 GLY CA C 13 45.155 . . 1 . . . . 73 g CA . 16831 1 49 . 1 1 8 8 GLY N N 15 111.405 . . 1 . . . . 73 g N . 16831 1 50 . 1 1 9 9 ALA H H 1 8.142 . . 1 . . . . 74 a HN . 16831 1 51 . 1 1 9 9 ALA HA H 1 4.315 . . 1 . . . . 74 a HA . 16831 1 52 . 1 1 9 9 ALA HB1 H 1 1.372 . . 1 . . . . 74 a HB1 . 16831 1 53 . 1 1 9 9 ALA HB2 H 1 1.372 . . 1 . . . . 74 a HB1 . 16831 1 54 . 1 1 9 9 ALA HB3 H 1 1.372 . . 1 . . . . 74 a HB1 . 16831 1 55 . 1 1 9 9 ALA C C 13 173.989 . . 1 . . . . 74 a C . 16831 1 56 . 1 1 9 9 ALA CA C 13 52.792 . . 1 . . . . 74 a CA . 16831 1 57 . 1 1 9 9 ALA CB C 13 19.301 . . 1 . . . . 74 a CB . 16831 1 58 . 1 1 9 9 ALA N N 15 124.752 . . 1 . . . . 74 a N . 16831 1 59 . 1 1 10 10 ILE H H 1 8.108 . . 1 . . . . 75 i HN . 16831 1 60 . 1 1 10 10 ILE HA H 1 4.167 . . 1 . . . . 75 i HA . 16831 1 61 . 1 1 10 10 ILE HB H 1 1.852 . . 1 . . . . 75 i HB . 16831 1 62 . 1 1 10 10 ILE HD11 H 1 0.808 . . 1 . . . . 75 i HD11 . 16831 1 63 . 1 1 10 10 ILE HD12 H 1 0.808 . . 1 . . . . 75 i HD11 . 16831 1 64 . 1 1 10 10 ILE HD13 H 1 0.808 . . 1 . . . . 75 i HD11 . 16831 1 65 . 1 1 10 10 ILE HG12 H 1 1.183 . . 1 . . . . 75 i HG11 . 16831 1 66 . 1 1 10 10 ILE HG13 H 1 1.483 . . 1 . . . . 75 i HG12 . 16831 1 67 . 1 1 10 10 ILE HG21 H 1 0.888 . . 1 . . . . 75 i HG21 . 16831 1 68 . 1 1 10 10 ILE HG22 H 1 0.888 . . 1 . . . . 75 i HG21 . 16831 1 69 . 1 1 10 10 ILE HG23 H 1 0.888 . . 1 . . . . 75 i HG21 . 16831 1 70 . 1 1 10 10 ILE C C 13 178.094 . . 1 . . . . 75 i C . 16831 1 71 . 1 1 10 10 ILE CA C 13 61.304 . . 1 . . . . 75 i CA . 16831 1 72 . 1 1 10 10 ILE CB C 13 38.786 . . 1 . . . . 75 i CB . 16831 1 73 . 1 1 10 10 ILE CD1 C 13 13.275 . . 1 . . . . 75 i CD1 . 16831 1 74 . 1 1 10 10 ILE CG1 C 13 27.278 . . 1 . . . . 75 i CG1 . 16831 1 75 . 1 1 10 10 ILE CG2 C 13 17.683 . . 1 . . . . 75 i CG2 . 16831 1 76 . 1 1 10 10 ILE N N 15 120.225 . . 1 . . . . 75 i N . 16831 1 77 . 1 1 11 11 ASP H H 1 8.302 . . 1 . . . . 76 d HN . 16831 1 78 . 1 1 11 11 ASP HA H 1 4.611 . . 1 . . . . 76 d HA . 16831 1 79 . 1 1 11 11 ASP HB2 H 1 2.744 . . 2 . . . . 76 d HB1 . 16831 1 80 . 1 1 11 11 ASP HB3 H 1 2.819 . . 2 . . . . 76 d HB2 . 16831 1 81 . 1 1 11 11 ASP C C 13 176.166 . . 1 . . . . 76 d C . 16831 1 82 . 1 1 11 11 ASP CA C 13 54.356 . . 1 . . . . 76 d CA . 16831 1 83 . 1 1 11 11 ASP CB C 13 41.396 . . 1 . . . . 76 d CB . 16831 1 84 . 1 1 11 11 ASP N N 15 125.008 . . 1 . . . . 76 d N . 16831 1 85 . 1 1 12 12 ARG H H 1 8.412 . . 1 . . . . 77 r HN . 16831 1 86 . 1 1 12 12 ARG HA H 1 4.145 . . 1 . . . . 77 r HA . 16831 1 87 . 1 1 12 12 ARG HB2 H 1 1.890 . . 2 . . . . 77 r HB2 . 16831 1 88 . 1 1 12 12 ARG HD2 H 1 3.232 . . 2 . . . . 77 r HD2 . 16831 1 89 . 1 1 12 12 ARG HE H 1 7.442 . . 1 . . . . 77 r HE . 16831 1 90 . 1 1 12 12 ARG HG2 H 1 1.644 . . 2 . . . . 77 r HG1 . 16831 1 91 . 1 1 12 12 ARG HG3 H 1 1.726 . . 2 . . . . 77 r HG2 . 16831 1 92 . 1 1 12 12 ARG C C 13 177.056 . . 1 . . . . 77 r C . 16831 1 93 . 1 1 12 12 ARG CA C 13 58.829 . . 1 . . . . 77 r CA . 16831 1 94 . 1 1 12 12 ARG CB C 13 30.295 . . 1 . . . . 77 r CB . 16831 1 95 . 1 1 12 12 ARG CD C 13 43.304 . . 1 . . . . 77 r CD . 16831 1 96 . 1 1 12 12 ARG CG C 13 27.249 . . 1 . . . . 77 r CG . 16831 1 97 . 1 1 12 12 ARG N N 15 121.965 . . 1 . . . . 77 r N . 16831 1 98 . 1 1 12 12 ARG NE N 15 124.752 . . 1 . . . . 77 r NE . 16831 1 99 . 1 1 13 13 GLU H H 1 8.425 . . 1 . . . . 78 e HN . 16831 1 100 . 1 1 13 13 GLU HA H 1 4.195 . . 1 . . . . 78 e HA . 16831 1 101 . 1 1 13 13 GLU HB2 H 1 2.112 . . 2 . . . . 78 e HB2 . 16831 1 102 . 1 1 13 13 GLU HG2 H 1 2.329 . . 2 . . . . 78 e HG2 . 16831 1 103 . 1 1 13 13 GLU C C 13 178.097 . . 1 . . . . 78 e C . 16831 1 104 . 1 1 13 13 GLU CA C 13 58.302 . . 1 . . . . 78 e CA . 16831 1 105 . 1 1 13 13 GLU CB C 13 29.306 . . 1 . . . . 78 e CB . 16831 1 106 . 1 1 13 13 GLU CG C 13 36.800 . . 1 . . . . 78 e CG . 16831 1 107 . 1 1 13 13 GLU N N 15 121.678 . . 1 . . . . 78 e N . 16831 1 108 . 1 1 14 14 GLN H H 1 8.505 . . 1 . . . . 79 q HN . 16831 1 109 . 1 1 14 14 GLN HA H 1 4.257 . . 1 . . . . 79 q HA . 16831 1 110 . 1 1 14 14 GLN HB2 H 1 2.115 . . 2 . . . . 79 q HB2 . 16831 1 111 . 1 1 14 14 GLN HE21 H 1 7.582 . . 2 . . . . 79 q HE21 . 16831 1 112 . 1 1 14 14 GLN HE22 H 1 6.959 . . 2 . . . . 79 q HE22 . 16831 1 113 . 1 1 14 14 GLN HG2 H 1 2.359 . . 2 . . . . 79 q HG1 . 16831 1 114 . 1 1 14 14 GLN HG3 H 1 2.481 . . 2 . . . . 79 q HG2 . 16831 1 115 . 1 1 14 14 GLN C C 13 178.455 . . 1 . . . . 79 q C . 16831 1 116 . 1 1 14 14 GLN CA C 13 57.320 . . 1 . . . . 79 q CA . 16831 1 117 . 1 1 14 14 GLN CB C 13 28.806 . . 1 . . . . 79 q CB . 16831 1 118 . 1 1 14 14 GLN CG C 13 34.282 . . 1 . . . . 79 q CG . 16831 1 119 . 1 1 14 14 GLN N N 15 121.605 . . 1 . . . . 79 q N . 16831 1 120 . 1 1 14 14 GLN NE2 N 15 112.877 . . 1 . . . . 79 q NE2 . 16831 1 121 . 1 1 15 15 SER H H 1 8.310 . . 1 . . . . 80 s HN . 16831 1 122 . 1 1 15 15 SER HA H 1 3.989 . . 1 . . . . 80 s HA . 16831 1 123 . 1 1 15 15 SER HB2 H 1 3.878 . . 2 . . . . 80 s HB1 . 16831 1 124 . 1 1 15 15 SER HB3 H 1 3.978 . . 2 . . . . 80 s HB2 . 16831 1 125 . 1 1 15 15 SER C C 13 177.520 . . 1 . . . . 80 s C . 16831 1 126 . 1 1 15 15 SER CA C 13 61.513 . . 1 . . . . 80 s CA . 16831 1 127 . 1 1 15 15 SER CB C 13 63.027 . . 1 . . . . 80 s CB . 16831 1 128 . 1 1 15 15 SER N N 15 115.925 . . 1 . . . . 80 s N . 16831 1 129 . 1 1 16 16 ALA H H 1 8.063 . . 1 . . . . 81 a HN . 16831 1 130 . 1 1 16 16 ALA HA H 1 4.119 . . 1 . . . . 81 a HA . 16831 1 131 . 1 1 16 16 ALA HB1 H 1 1.516 . . 1 . . . . 81 a HB1 . 16831 1 132 . 1 1 16 16 ALA HB2 H 1 1.516 . . 1 . . . . 81 a HB1 . 16831 1 133 . 1 1 16 16 ALA HB3 H 1 1.516 . . 1 . . . . 81 a HB1 . 16831 1 134 . 1 1 16 16 ALA C C 13 175.776 . . 1 . . . . 81 a C . 16831 1 135 . 1 1 16 16 ALA CA C 13 55.270 . . 1 . . . . 81 a CA . 16831 1 136 . 1 1 16 16 ALA CB C 13 18.003 . . 1 . . . . 81 a CB . 16831 1 137 . 1 1 16 16 ALA N N 15 124.407 . . 1 . . . . 81 a N . 16831 1 138 . 1 1 17 17 ALA H H 1 7.867 . . 1 . . . . 82 a HN . 16831 1 139 . 1 1 17 17 ALA HA H 1 4.216 . . 1 . . . . 82 a HA . 16831 1 140 . 1 1 17 17 ALA HB1 H 1 1.516 . . 1 . . . . 82 a HB1 . 16831 1 141 . 1 1 17 17 ALA HB2 H 1 1.516 . . 1 . . . . 82 a HB1 . 16831 1 142 . 1 1 17 17 ALA HB3 H 1 1.516 . . 1 . . . . 82 a HB1 . 16831 1 143 . 1 1 17 17 ALA C C 13 180.238 . . 1 . . . . 82 a C . 16831 1 144 . 1 1 17 17 ALA CA C 13 55.183 . . 1 . . . . 82 a CA . 16831 1 145 . 1 1 17 17 ALA CB C 13 18.030 . . 1 . . . . 82 a CB . 16831 1 146 . 1 1 17 17 ALA N N 15 122.204 . . 1 . . . . 82 a N . 16831 1 147 . 1 1 18 18 ILE H H 1 8.041 . . 1 . . . . 83 i HN . 16831 1 148 . 1 1 18 18 ILE HA H 1 3.196 . . 1 . . . . 83 i HA . 16831 1 149 . 1 1 18 18 ILE HB H 1 1.538 . . 1 . . . . 83 i HB . 16831 1 150 . 1 1 18 18 ILE HD11 H 1 0.507 . . 1 . . . . 83 i HD11 . 16831 1 151 . 1 1 18 18 ILE HD12 H 1 0.507 . . 1 . . . . 83 i HD11 . 16831 1 152 . 1 1 18 18 ILE HD13 H 1 0.507 . . 1 . . . . 83 i HD11 . 16831 1 153 . 1 1 18 18 ILE HG12 H 1 -0.678 . . 1 . . . . 83 i HG11 . 16831 1 154 . 1 1 18 18 ILE HG13 H 1 1.153 . . 1 . . . . 83 i HG12 . 16831 1 155 . 1 1 18 18 ILE HG21 H 1 0.582 . . 1 . . . . 83 i HG21 . 16831 1 156 . 1 1 18 18 ILE HG22 H 1 0.582 . . 1 . . . . 83 i HG21 . 16831 1 157 . 1 1 18 18 ILE HG23 H 1 0.582 . . 1 . . . . 83 i HG21 . 16831 1 158 . 1 1 18 18 ILE C C 13 181.176 . . 1 . . . . 83 i C . 16831 1 159 . 1 1 18 18 ILE CA C 13 65.574 . . 1 . . . . 83 i CA . 16831 1 160 . 1 1 18 18 ILE CB C 13 37.212 . . 1 . . . . 83 i CB . 16831 1 161 . 1 1 18 18 ILE CD1 C 13 13.806 . . 1 . . . . 83 i CD1 . 16831 1 162 . 1 1 18 18 ILE CG1 C 13 27.289 . . 1 . . . . 83 i CG1 . 16831 1 163 . 1 1 18 18 ILE CG2 C 13 17.788 . . 1 . . . . 83 i CG2 . 16831 1 164 . 1 1 18 18 ILE N N 15 120.823 . . 1 . . . . 83 i N . 16831 1 165 . 1 1 19 19 ARG H H 1 8.183 . . 1 . . . . 84 r HN . 16831 1 166 . 1 1 19 19 ARG HA H 1 3.816 . . 1 . . . . 84 r HA . 16831 1 167 . 1 1 19 19 ARG HB2 H 1 1.834 . . 2 . . . . 84 r HB1 . 16831 1 168 . 1 1 19 19 ARG HB3 H 1 1.901 . . 2 . . . . 84 r HB2 . 16831 1 169 . 1 1 19 19 ARG HD2 H 1 3.141 . . 2 . . . . 84 r HD1 . 16831 1 170 . 1 1 19 19 ARG HD3 H 1 3.291 . . 2 . . . . 84 r HD2 . 16831 1 171 . 1 1 19 19 ARG HE H 1 7.264 . . 1 . . . . 84 r HE . 16831 1 172 . 1 1 19 19 ARG HG2 H 1 1.413 . . 2 . . . . 84 r HG2 . 16831 1 173 . 1 1 19 19 ARG C C 13 177.942 . . 1 . . . . 84 r C . 16831 1 174 . 1 1 19 19 ARG CA C 13 60.937 . . 1 . . . . 84 r CA . 16831 1 175 . 1 1 19 19 ARG CB C 13 29.953 . . 1 . . . . 84 r CB . 16831 1 176 . 1 1 19 19 ARG CD C 13 43.282 . . 1 . . . . 84 r CD . 16831 1 177 . 1 1 19 19 ARG CG C 13 29.792 . . 1 . . . . 84 r CG . 16831 1 178 . 1 1 19 19 ARG N N 15 120.433 . . 1 . . . . 84 r N . 16831 1 179 . 1 1 19 19 ARG NE N 15 125.377 . . 1 . . . . 84 r NE . 16831 1 180 . 1 1 20 20 GLU H H 1 8.059 . . 1 . . . . 85 e HN . 16831 1 181 . 1 1 20 20 GLU HA H 1 4.184 . . 1 . . . . 85 e HA . 16831 1 182 . 1 1 20 20 GLU HB2 H 1 2.127 . . 2 . . . . 85 e HB2 . 16831 1 183 . 1 1 20 20 GLU HG2 H 1 2.386 . . 2 . . . . 85 e HG2 . 16831 1 184 . 1 1 20 20 GLU C C 13 178.787 . . 1 . . . . 85 e C . 16831 1 185 . 1 1 20 20 GLU CA C 13 59.285 . . 1 . . . . 85 e CA . 16831 1 186 . 1 1 20 20 GLU CB C 13 29.295 . . 1 . . . . 85 e CB . 16831 1 187 . 1 1 20 20 GLU CG C 13 35.771 . . 1 . . . . 85 e CG . 16831 1 188 . 1 1 20 20 GLU N N 15 120.115 . . 1 . . . . 85 e N . 16831 1 189 . 1 1 21 21 TRP H H 1 8.139 . . 1 . . . . 86 w HN . 16831 1 190 . 1 1 21 21 TRP HA H 1 4.053 . . 1 . . . . 86 w HA . 16831 1 191 . 1 1 21 21 TRP HB2 H 1 3.547 . . 2 . . . . 86 w HB1 . 16831 1 192 . 1 1 21 21 TRP HB3 H 1 3.658 . . 2 . . . . 86 w HB2 . 16831 1 193 . 1 1 21 21 TRP HD1 H 1 7.411 . . 1 . . . . 86 w HD1 . 16831 1 194 . 1 1 21 21 TRP HE1 H 1 10.244 . . 1 . . . . 86 w HE1 . 16831 1 195 . 1 1 21 21 TRP HE3 H 1 7.479 . . 1 . . . . 86 w HE3 . 16831 1 196 . 1 1 21 21 TRP HH2 H 1 7.024 . . 1 . . . . 86 w HH2 . 16831 1 197 . 1 1 21 21 TRP HZ2 H 1 7.351 . . 1 . . . . 86 w HZ2 . 16831 1 198 . 1 1 21 21 TRP HZ3 H 1 6.822 . . 1 . . . . 86 w HZ3 . 16831 1 199 . 1 1 21 21 TRP C C 13 178.354 . . 1 . . . . 86 w C . 16831 1 200 . 1 1 21 21 TRP CA C 13 62.187 . . 1 . . . . 86 w CA . 16831 1 201 . 1 1 21 21 TRP CB C 13 29.068 . . 1 . . . . 86 w CB . 16831 1 202 . 1 1 21 21 TRP CD1 C 13 127.325 . . 1 . . . . 86 w CD1 . 16831 1 203 . 1 1 21 21 TRP CE3 C 13 120.072 . . 1 . . . . 86 w CE3 . 16831 1 204 . 1 1 21 21 TRP CH2 C 13 124.324 . . 1 . . . . 86 w CH2 . 16831 1 205 . 1 1 21 21 TRP CZ2 C 13 114.820 . . 1 . . . . 86 w CZ2 . 16831 1 206 . 1 1 21 21 TRP N N 15 121.545 . . 1 . . . . 86 w N . 16831 1 207 . 1 1 21 21 TRP NE1 N 15 131.856 . . 1 . . . . 86 w NE1 . 16831 1 208 . 1 1 22 22 ALA H H 1 9.302 . . 1 . . . . 87 a HN . 16831 1 209 . 1 1 22 22 ALA HA H 1 3.538 . . 1 . . . . 87 a HA . 16831 1 210 . 1 1 22 22 ALA HB1 H 1 1.597 . . 1 . . . . 87 a HB1 . 16831 1 211 . 1 1 22 22 ALA HB2 H 1 1.597 . . 1 . . . . 87 a HB1 . 16831 1 212 . 1 1 22 22 ALA HB3 H 1 1.597 . . 1 . . . . 87 a HB1 . 16831 1 213 . 1 1 22 22 ALA C C 13 179.333 . . 1 . . . . 87 a C . 16831 1 214 . 1 1 22 22 ALA CA C 13 55.952 . . 1 . . . . 87 a CA . 16831 1 215 . 1 1 22 22 ALA CB C 13 18.306 . . 1 . . . . 87 a CB . 16831 1 216 . 1 1 22 22 ALA N N 15 123.676 . . 1 . . . . 87 a N . 16831 1 217 . 1 1 23 23 ARG H H 1 7.935 . . 1 . . . . 88 r HN . 16831 1 218 . 1 1 23 23 ARG HA H 1 4.120 . . 1 . . . . 88 r HA . 16831 1 219 . 1 1 23 23 ARG HB2 H 1 1.972 . . 2 . . . . 88 r HB2 . 16831 1 220 . 1 1 23 23 ARG HD2 H 1 3.231 . . 2 . . . . 88 r HD2 . 16831 1 221 . 1 1 23 23 ARG HG2 H 1 1.786 . . 2 . . . . 88 r HG1 . 16831 1 222 . 1 1 23 23 ARG HG3 H 1 1.712 . . 2 . . . . 88 r HG2 . 16831 1 223 . 1 1 23 23 ARG C C 13 179.494 . . 1 . . . . 88 r C . 16831 1 224 . 1 1 23 23 ARG CA C 13 59.302 . . 1 . . . . 88 r CA . 16831 1 225 . 1 1 23 23 ARG CB C 13 30.261 . . 1 . . . . 88 r CB . 16831 1 226 . 1 1 23 23 ARG CD C 13 43.308 . . 1 . . . . 88 r CD . 16831 1 227 . 1 1 23 23 ARG CG C 13 27.543 . . 1 . . . . 88 r CG . 16831 1 228 . 1 1 23 23 ARG N N 15 118.266 . . 1 . . . . 88 r N . 16831 1 229 . 1 1 24 24 ARG H H 1 7.695 . . 1 . . . . 89 r HN . 16831 1 230 . 1 1 24 24 ARG HA H 1 4.164 . . 1 . . . . 89 r HA . 16831 1 231 . 1 1 24 24 ARG HB2 H 1 1.777 . . 2 . . . . 89 r HB2 . 16831 1 232 . 1 1 24 24 ARG HD2 H 1 3.191 . . 2 . . . . 89 r HD2 . 16831 1 233 . 1 1 24 24 ARG HG2 H 1 1.629 . . 2 . . . . 89 r HG1 . 16831 1 234 . 1 1 24 24 ARG HG3 H 1 1.735 . . 2 . . . . 89 r HG2 . 16831 1 235 . 1 1 24 24 ARG C C 13 179.663 . . 1 . . . . 89 r C . 16831 1 236 . 1 1 24 24 ARG CA C 13 57.796 . . 1 . . . . 89 r CA . 16831 1 237 . 1 1 24 24 ARG CB C 13 30.514 . . 1 . . . . 89 r CB . 16831 1 238 . 1 1 24 24 ARG CD C 13 43.392 . . 1 . . . . 89 r CD . 16831 1 239 . 1 1 24 24 ARG CG C 13 27.699 . . 1 . . . . 89 r CG . 16831 1 240 . 1 1 24 24 ARG N N 15 118.954 . . 1 . . . . 89 r N . 16831 1 241 . 1 1 25 25 ASN H H 1 7.333 . . 1 . . . . 90 n HN . 16831 1 242 . 1 1 25 25 ASN HA H 1 4.560 . . 1 . . . . 90 n HA . 16831 1 243 . 1 1 25 25 ASN HB2 H 1 1.287 . . 2 . . . . 90 n HB1 . 16831 1 244 . 1 1 25 25 ASN HB3 H 1 2.392 . . 2 . . . . 90 n HB2 . 16831 1 245 . 1 1 25 25 ASN HD21 H 1 6.580 . . 2 . . . . 90 n HD21 . 16831 1 246 . 1 1 25 25 ASN HD22 H 1 6.552 . . 2 . . . . 90 n HD22 . 16831 1 247 . 1 1 25 25 ASN C C 13 176.824 . . 1 . . . . 90 n C . 16831 1 248 . 1 1 25 25 ASN CA C 13 53.572 . . 1 . . . . 90 n CA . 16831 1 249 . 1 1 25 25 ASN CB C 13 39.289 . . 1 . . . . 90 n CB . 16831 1 250 . 1 1 25 25 ASN N N 15 116.762 . . 1 . . . . 90 n N . 16831 1 251 . 1 1 25 25 ASN ND2 N 15 116.314 . . 1 . . . . 90 n ND2 . 16831 1 252 . 1 1 26 26 GLY H H 1 7.556 . . 1 . . . . 91 g HN . 16831 1 253 . 1 1 26 26 GLY HA2 H 1 3.680 . . 2 . . . . 91 g HA1 . 16831 1 254 . 1 1 26 26 GLY HA3 H 1 3.801 . . 2 . . . . 91 g HA2 . 16831 1 255 . 1 1 26 26 GLY C C 13 174.110 . . 1 . . . . 91 g C . 16831 1 256 . 1 1 26 26 GLY CA C 13 46.551 . . 1 . . . . 91 g CA . 16831 1 257 . 1 1 26 26 GLY N N 15 106.774 . . 1 . . . . 91 g N . 16831 1 258 . 1 1 27 27 HIS H H 1 8.062 . . 1 . . . . 92 h HN . 16831 1 259 . 1 1 27 27 HIS HA H 1 4.674 . . 1 . . . . 92 h HA . 16831 1 260 . 1 1 27 27 HIS HB2 H 1 2.762 . . 2 . . . . 92 h HB1 . 16831 1 261 . 1 1 27 27 HIS HB3 H 1 2.935 . . 2 . . . . 92 h HB2 . 16831 1 262 . 1 1 27 27 HIS HD2 H 1 6.519 . . 1 . . . . 92 h HD2 . 16831 1 263 . 1 1 27 27 HIS HE1 H 1 8.117 . . 1 . . . . 92 h HE1 . 16831 1 264 . 1 1 27 27 HIS C C 13 174.173 . . 1 . . . . 92 h C . 16831 1 265 . 1 1 27 27 HIS CA C 13 54.813 . . 1 . . . . 92 h CA . 16831 1 266 . 1 1 27 27 HIS CB C 13 31.188 . . 1 . . . . 92 h CB . 16831 1 267 . 1 1 27 27 HIS N N 15 119.221 . . 1 . . . . 92 h N . 16831 1 268 . 1 1 28 28 ASN H H 1 8.870 . . 1 . . . . 93 n HN . 16831 1 269 . 1 1 28 28 ASN HA H 1 4.649 . . 1 . . . . 93 n HA . 16831 1 270 . 1 1 28 28 ASN HB2 H 1 2.718 . . 2 . . . . 93 n HB1 . 16831 1 271 . 1 1 28 28 ASN HB3 H 1 2.803 . . 2 . . . . 93 n HB2 . 16831 1 272 . 1 1 28 28 ASN HD21 H 1 7.609 . . 2 . . . . 93 n HD21 . 16831 1 273 . 1 1 28 28 ASN HD22 H 1 6.884 . . 2 . . . . 93 n HD22 . 16831 1 274 . 1 1 28 28 ASN C C 13 174.276 . . 1 . . . . 93 n C . 16831 1 275 . 1 1 28 28 ASN CA C 13 53.541 . . 1 . . . . 93 n CA . 16831 1 276 . 1 1 28 28 ASN CB C 13 38.311 . . 1 . . . . 93 n CB . 16831 1 277 . 1 1 28 28 ASN N N 15 123.292 . . 1 . . . . 93 n N . 16831 1 278 . 1 1 28 28 ASN ND2 N 15 113.346 . . 1 . . . . 93 n ND2 . 16831 1 279 . 1 1 29 29 VAL H H 1 8.101 . . 1 . . . . 94 v HN . 16831 1 280 . 1 1 29 29 VAL HA H 1 4.348 . . 1 . . . . 94 v HA . 16831 1 281 . 1 1 29 29 VAL HB H 1 2.140 . . 1 . . . . 94 v HB . 16831 1 282 . 1 1 29 29 VAL HG11 H 1 0.951 . . 2 . . . . 94 v HG11 . 16831 1 283 . 1 1 29 29 VAL HG12 H 1 0.951 . . 2 . . . . 94 v HG11 . 16831 1 284 . 1 1 29 29 VAL HG13 H 1 0.951 . . 2 . . . . 94 v HG11 . 16831 1 285 . 1 1 29 29 VAL HG21 H 1 1.020 . . 2 . . . . 94 v HG21 . 16831 1 286 . 1 1 29 29 VAL HG22 H 1 1.020 . . 2 . . . . 94 v HG21 . 16831 1 287 . 1 1 29 29 VAL HG23 H 1 1.020 . . 2 . . . . 94 v HG21 . 16831 1 288 . 1 1 29 29 VAL C C 13 174.698 . . 1 . . . . 94 v C . 16831 1 289 . 1 1 29 29 VAL CA C 13 60.800 . . 1 . . . . 94 v CA . 16831 1 290 . 1 1 29 29 VAL CB C 13 34.087 . . 1 . . . . 94 v CB . 16831 1 291 . 1 1 29 29 VAL CG1 C 13 21.290 . . 1 . . . . 94 v CG1 . 16831 1 292 . 1 1 29 29 VAL CG2 C 13 22.286 . . 1 . . . . 94 v CG2 . 16831 1 293 . 1 1 29 29 VAL N N 15 122.537 . . 1 . . . . 94 v N . 16831 1 294 . 1 1 30 30 SER H H 1 8.720 . . 1 . . . . 95 s HN . 16831 1 295 . 1 1 30 30 SER HA H 1 4.531 . . 1 . . . . 95 s HA . 16831 1 296 . 1 1 30 30 SER HB2 H 1 3.921 . . 2 . . . . 95 s HB1 . 16831 1 297 . 1 1 30 30 SER HB3 H 1 4.105 . . 2 . . . . 95 s HB2 . 16831 1 298 . 1 1 30 30 SER C C 13 175.319 . . 1 . . . . 95 s C . 16831 1 299 . 1 1 30 30 SER CA C 13 58.218 . . 1 . . . . 95 s CA . 16831 1 300 . 1 1 30 30 SER CB C 13 63.917 . . 1 . . . . 95 s CB . 16831 1 301 . 1 1 30 30 SER N N 15 121.766 . . 1 . . . . 95 s N . 16831 1 302 . 1 1 31 31 THR H H 1 8.543 . . 1 . . . . 96 t HN . 16831 1 303 . 1 1 31 31 THR HA H 1 4.075 . . 1 . . . . 96 t HA . 16831 1 304 . 1 1 31 31 THR HB H 1 4.264 . . 1 . . . . 96 t HB . 16831 1 305 . 1 1 31 31 THR HG21 H 1 1.278 . . 1 . . . . 96 t HG21 . 16831 1 306 . 1 1 31 31 THR HG22 H 1 1.278 . . 1 . . . . 96 t HG21 . 16831 1 307 . 1 1 31 31 THR HG23 H 1 1.278 . . 1 . . . . 96 t HG21 . 16831 1 308 . 1 1 31 31 THR C C 13 175.676 . . 1 . . . . 96 t C . 16831 1 309 . 1 1 31 31 THR CA C 13 64.303 . . 1 . . . . 96 t CA . 16831 1 310 . 1 1 31 31 THR CB C 13 69.146 . . 1 . . . . 96 t CB . 16831 1 311 . 1 1 31 31 THR CG2 C 13 22.314 . . 1 . . . . 96 t CG2 . 16831 1 312 . 1 1 31 31 THR N N 15 117.221 . . 1 . . . . 96 t N . 16831 1 313 . 1 1 32 32 ARG H H 1 8.107 . . 1 . . . . 97 r HN . 16831 1 314 . 1 1 32 32 ARG HA H 1 4.452 . . 1 . . . . 97 r HA . 16831 1 315 . 1 1 32 32 ARG HB2 H 1 1.696 . . 2 . . . . 97 r HB1 . 16831 1 316 . 1 1 32 32 ARG HB3 H 1 1.887 . . 2 . . . . 97 r HB2 . 16831 1 317 . 1 1 32 32 ARG HD2 H 1 3.183 . . 2 . . . . 97 r HD2 . 16831 1 318 . 1 1 32 32 ARG HG2 H 1 1.570 . . 2 . . . . 97 r HG2 . 16831 1 319 . 1 1 32 32 ARG C C 13 174.797 . . 1 . . . . 97 r C . 16831 1 320 . 1 1 32 32 ARG CA C 13 55.329 . . 1 . . . . 97 r CA . 16831 1 321 . 1 1 32 32 ARG CB C 13 31.777 . . 1 . . . . 97 r CB . 16831 1 322 . 1 1 32 32 ARG CD C 13 43.228 . . 1 . . . . 97 r CD . 16831 1 323 . 1 1 32 32 ARG CG C 13 27.191 . . 1 . . . . 97 r CG . 16831 1 324 . 1 1 32 32 ARG N N 15 119.697 . . 1 . . . . 97 r N . 16831 1 325 . 1 1 33 33 GLY H H 1 8.183 . . 1 . . . . 98 g HN . 16831 1 326 . 1 1 33 33 GLY HA2 H 1 3.990 . . 2 . . . . 98 g HA2 . 16831 1 327 . 1 1 33 33 GLY C C 13 176.330 . . 1 . . . . 98 g C . 16831 1 328 . 1 1 33 33 GLY CA C 13 44.544 . . 1 . . . . 98 g CA . 16831 1 329 . 1 1 33 33 GLY N N 15 109.701 . . 1 . . . . 98 g N . 16831 1 330 . 1 1 34 34 ARG H H 1 8.342 . . 1 . . . . 99 r HN . 16831 1 331 . 1 1 34 34 ARG HA H 1 4.225 . . 1 . . . . 99 r HA . 16831 1 332 . 1 1 34 34 ARG HB2 H 1 1.730 . . 2 . . . . 99 r HB2 . 16831 1 333 . 1 1 34 34 ARG HD2 H 1 3.185 . . 2 . . . . 99 r HD2 . 16831 1 334 . 1 1 34 34 ARG HG2 H 1 1.590 . . 2 . . . . 99 r HG2 . 16831 1 335 . 1 1 34 34 ARG C C 13 173.761 . . 1 . . . . 99 r C . 16831 1 336 . 1 1 34 34 ARG CA C 13 56.306 . . 1 . . . . 99 r CA . 16831 1 337 . 1 1 34 34 ARG CB C 13 30.783 . . 1 . . . . 99 r CB . 16831 1 338 . 1 1 34 34 ARG CD C 13 43.298 . . 1 . . . . 99 r CD . 16831 1 339 . 1 1 34 34 ARG CG C 13 27.244 . . 1 . . . . 99 r CG . 16831 1 340 . 1 1 34 34 ARG N N 15 121.140 . . 1 . . . . 99 r N . 16831 1 341 . 1 1 35 35 ILE H H 1 8.802 . . 1 . . . . 100 i HN . 16831 1 342 . 1 1 35 35 ILE HA H 1 4.193 . . 1 . . . . 100 i HA . 16831 1 343 . 1 1 35 35 ILE HB H 1 1.714 . . 1 . . . . 100 i HB . 16831 1 344 . 1 1 35 35 ILE HD11 H 1 0.834 . . 1 . . . . 100 i HD11 . 16831 1 345 . 1 1 35 35 ILE HD12 H 1 0.834 . . 1 . . . . 100 i HD11 . 16831 1 346 . 1 1 35 35 ILE HD13 H 1 0.834 . . 1 . . . . 100 i HD11 . 16831 1 347 . 1 1 35 35 ILE HG12 H 1 0.844 . . 1 . . . . 100 i HG11 . 16831 1 348 . 1 1 35 35 ILE HG13 H 1 1.764 . . 1 . . . . 100 i HG12 . 16831 1 349 . 1 1 35 35 ILE HG21 H 1 0.934 . . 1 . . . . 100 i HG21 . 16831 1 350 . 1 1 35 35 ILE HG22 H 1 0.934 . . 1 . . . . 100 i HG21 . 16831 1 351 . 1 1 35 35 ILE HG23 H 1 0.934 . . 1 . . . . 100 i HG21 . 16831 1 352 . 1 1 35 35 ILE C C 13 176.827 . . 1 . . . . 100 i C . 16831 1 353 . 1 1 35 35 ILE CA C 13 59.284 . . 1 . . . . 100 i CA . 16831 1 354 . 1 1 35 35 ILE CB C 13 39.074 . . 1 . . . . 100 i CB . 16831 1 355 . 1 1 35 35 ILE CD1 C 13 14.062 . . 1 . . . . 100 i CD1 . 16831 1 356 . 1 1 35 35 ILE CG1 C 13 28.275 . . 1 . . . . 100 i CG1 . 16831 1 357 . 1 1 35 35 ILE CG2 C 13 17.799 . . 1 . . . . 100 i CG2 . 16831 1 358 . 1 1 35 35 ILE N N 15 128.392 . . 1 . . . . 100 i N . 16831 1 359 . 1 1 36 36 PRO HA H 1 4.416 . . 1 . . . . 101 p HA . 16831 1 360 . 1 1 36 36 PRO HB2 H 1 2.099 . . 2 . . . . 101 p HB1 . 16831 1 361 . 1 1 36 36 PRO HB3 H 1 2.529 . . 2 . . . . 101 p HB2 . 16831 1 362 . 1 1 36 36 PRO HD2 H 1 3.422 . . 2 . . . . 101 p HD1 . 16831 1 363 . 1 1 36 36 PRO HD3 H 1 4.200 . . 2 . . . . 101 p HD2 . 16831 1 364 . 1 1 36 36 PRO HG2 H 1 2.105 . . 2 . . . . 101 p HG1 . 16831 1 365 . 1 1 36 36 PRO HG3 H 1 2.226 . . 2 . . . . 101 p HG2 . 16831 1 366 . 1 1 36 36 PRO CA C 13 63.306 . . 1 . . . . 101 p CA . 16831 1 367 . 1 1 36 36 PRO CB C 13 33.104 . . 1 . . . . 101 p CB . 16831 1 368 . 1 1 36 36 PRO CD C 13 51.795 . . 1 . . . . 101 p CD . 16831 1 369 . 1 1 36 36 PRO CG C 13 28.144 . . 1 . . . . 101 p CG . 16831 1 370 . 1 1 37 37 ALA H H 1 8.796 . . 1 . . . . 102 a HN . 16831 1 371 . 1 1 37 37 ALA HA H 1 3.949 . . 1 . . . . 102 a HA . 16831 1 372 . 1 1 37 37 ALA HB1 H 1 1.486 . . 1 . . . . 102 a HB1 . 16831 1 373 . 1 1 37 37 ALA HB2 H 1 1.486 . . 1 . . . . 102 a HB1 . 16831 1 374 . 1 1 37 37 ALA HB3 H 1 1.486 . . 1 . . . . 102 a HB1 . 16831 1 375 . 1 1 37 37 ALA C C 13 177.720 . . 1 . . . . 102 a C . 16831 1 376 . 1 1 37 37 ALA CA C 13 55.629 . . 1 . . . . 102 a CA . 16831 1 377 . 1 1 37 37 ALA CB C 13 18.765 . . 1 . . . . 102 a CB . 16831 1 378 . 1 1 37 37 ALA N N 15 126.714 . . 1 . . . . 102 a N . 16831 1 379 . 1 1 38 38 ASP H H 1 8.792 . . 1 . . . . 103 d HN . 16831 1 380 . 1 1 38 38 ASP HA H 1 4.399 . . 1 . . . . 103 d HA . 16831 1 381 . 1 1 38 38 ASP HB2 H 1 2.642 . . 2 . . . . 103 d HB1 . 16831 1 382 . 1 1 38 38 ASP HB3 H 1 2.751 . . 2 . . . . 103 d HB2 . 16831 1 383 . 1 1 38 38 ASP C C 13 178.910 . . 1 . . . . 103 d C . 16831 1 384 . 1 1 38 38 ASP CA C 13 56.306 . . 1 . . . . 103 d CA . 16831 1 385 . 1 1 38 38 ASP CB C 13 39.294 . . 1 . . . . 103 d CB . 16831 1 386 . 1 1 38 38 ASP N N 15 114.538 . . 1 . . . . 103 d N . 16831 1 387 . 1 1 39 39 VAL H H 1 7.377 . . 1 . . . . 104 v HN . 16831 1 388 . 1 1 39 39 VAL HA H 1 3.549 . . 1 . . . . 104 v HA . 16831 1 389 . 1 1 39 39 VAL HB H 1 2.112 . . 1 . . . . 104 v HB . 16831 1 390 . 1 1 39 39 VAL HG11 H 1 0.774 . . 2 . . . . 104 v HG11 . 16831 1 391 . 1 1 39 39 VAL HG12 H 1 0.774 . . 2 . . . . 104 v HG11 . 16831 1 392 . 1 1 39 39 VAL HG13 H 1 0.774 . . 2 . . . . 104 v HG11 . 16831 1 393 . 1 1 39 39 VAL HG21 H 1 0.891 . . 2 . . . . 104 v HG21 . 16831 1 394 . 1 1 39 39 VAL HG22 H 1 0.891 . . 2 . . . . 104 v HG21 . 16831 1 395 . 1 1 39 39 VAL HG23 H 1 0.891 . . 2 . . . . 104 v HG21 . 16831 1 396 . 1 1 39 39 VAL C C 13 179.066 . . 1 . . . . 104 v C . 16831 1 397 . 1 1 39 39 VAL CA C 13 65.947 . . 1 . . . . 104 v CA . 16831 1 398 . 1 1 39 39 VAL CB C 13 31.299 . . 1 . . . . 104 v CB . 16831 1 399 . 1 1 39 39 VAL CG1 C 13 21.787 . . 1 . . . . 104 v CG1 . 16831 1 400 . 1 1 39 39 VAL CG2 C 13 22.794 . . 1 . . . . 104 v CG2 . 16831 1 401 . 1 1 39 39 VAL N N 15 123.563 . . 1 . . . . 104 v N . 16831 1 402 . 1 1 40 40 ILE H H 1 7.402 . . 1 . . . . 105 i HN . 16831 1 403 . 1 1 40 40 ILE HA H 1 3.365 . . 1 . . . . 105 i HA . 16831 1 404 . 1 1 40 40 ILE HB H 1 1.937 . . 1 . . . . 105 i HB . 16831 1 405 . 1 1 40 40 ILE HD11 H 1 0.794 . . 1 . . . . 105 i HD11 . 16831 1 406 . 1 1 40 40 ILE HD12 H 1 0.794 . . 1 . . . . 105 i HD11 . 16831 1 407 . 1 1 40 40 ILE HD13 H 1 0.794 . . 1 . . . . 105 i HD11 . 16831 1 408 . 1 1 40 40 ILE HG12 H 1 0.861 . . 1 . . . . 105 i HG11 . 16831 1 409 . 1 1 40 40 ILE HG13 H 1 1.564 . . 1 . . . . 105 i HG12 . 16831 1 410 . 1 1 40 40 ILE HG21 H 1 0.823 . . 1 . . . . 105 i HG21 . 16831 1 411 . 1 1 40 40 ILE HG22 H 1 0.823 . . 1 . . . . 105 i HG21 . 16831 1 412 . 1 1 40 40 ILE HG23 H 1 0.823 . . 1 . . . . 105 i HG21 . 16831 1 413 . 1 1 40 40 ILE C C 13 176.851 . . 1 . . . . 105 i C . 16831 1 414 . 1 1 40 40 ILE CA C 13 65.554 . . 1 . . . . 105 i CA . 16831 1 415 . 1 1 40 40 ILE CB C 13 37.595 . . 1 . . . . 105 i CB . 16831 1 416 . 1 1 40 40 ILE CD1 C 13 13.283 . . 1 . . . . 105 i CD1 . 16831 1 417 . 1 1 40 40 ILE CG1 C 13 28.820 . . 1 . . . . 105 i CG1 . 16831 1 418 . 1 1 40 40 ILE CG2 C 13 17.778 . . 1 . . . . 105 i CG2 . 16831 1 419 . 1 1 40 40 ILE N N 15 121.781 . . 1 . . . . 105 i N . 16831 1 420 . 1 1 41 41 ASP H H 1 8.334 . . 1 . . . . 106 d HN . 16831 1 421 . 1 1 41 41 ASP HA H 1 4.429 . . 1 . . . . 106 d HA . 16831 1 422 . 1 1 41 41 ASP HB2 H 1 2.679 . . 2 . . . . 106 d HB2 . 16831 1 423 . 1 1 41 41 ASP C C 13 178.084 . . 1 . . . . 106 d C . 16831 1 424 . 1 1 41 41 ASP CA C 13 57.299 . . 1 . . . . 106 d CA . 16831 1 425 . 1 1 41 41 ASP CB C 13 40.289 . . 1 . . . . 106 d CB . 16831 1 426 . 1 1 41 41 ASP N N 15 119.666 . . 1 . . . . 106 d N . 16831 1 427 . 1 1 42 42 ALA H H 1 7.747 . . 1 . . . . 107 a HN . 16831 1 428 . 1 1 42 42 ALA HA H 1 4.179 . . 1 . . . . 107 a HA . 16831 1 429 . 1 1 42 42 ALA HB1 H 1 1.656 . . 1 . . . . 107 a HB1 . 16831 1 430 . 1 1 42 42 ALA HB2 H 1 1.656 . . 1 . . . . 107 a HB1 . 16831 1 431 . 1 1 42 42 ALA HB3 H 1 1.656 . . 1 . . . . 107 a HB1 . 16831 1 432 . 1 1 42 42 ALA C C 13 179.008 . . 1 . . . . 107 a C . 16831 1 433 . 1 1 42 42 ALA CA C 13 55.150 . . 1 . . . . 107 a CA . 16831 1 434 . 1 1 42 42 ALA CB C 13 17.964 . . 1 . . . . 107 a CB . 16831 1 435 . 1 1 42 42 ALA N N 15 124.685 . . 1 . . . . 107 a N . 16831 1 436 . 1 1 43 43 TYR H H 1 8.309 . . 1 . . . . 108 y HN . 16831 1 437 . 1 1 43 43 TYR HA H 1 2.274 . . 1 . . . . 108 y HA . 16831 1 438 . 1 1 43 43 TYR HB2 H 1 2.398 . . 2 . . . . 108 y HB1 . 16831 1 439 . 1 1 43 43 TYR HB3 H 1 2.723 . . 2 . . . . 108 y HB2 . 16831 1 440 . 1 1 43 43 TYR HD1 H 1 6.165 . . 3 . . . . 108 y HD1 . 16831 1 441 . 1 1 43 43 TYR HD2 H 1 6.165 . . 3 . . . . 108 y HD2 . 16831 1 442 . 1 1 43 43 TYR HE1 H 1 6.455 . . 3 . . . . 108 y HE1 . 16831 1 443 . 1 1 43 43 TYR HE2 H 1 6.455 . . 3 . . . . 108 y HE2 . 16831 1 444 . 1 1 43 43 TYR C C 13 179.619 . . 1 . . . . 108 y C . 16831 1 445 . 1 1 43 43 TYR CA C 13 60.491 . . 1 . . . . 108 y CA . 16831 1 446 . 1 1 43 43 TYR CB C 13 37.802 . . 1 . . . . 108 y CB . 16831 1 447 . 1 1 43 43 TYR CD1 C 13 132.576 . . 3 . . . . 108 y CD1 . 16831 1 448 . 1 1 43 43 TYR CD2 C 13 132.576 . . 3 . . . . 108 y CD2 . 16831 1 449 . 1 1 43 43 TYR CE1 C 13 117.571 . . 3 . . . . 108 y CE1 . 16831 1 450 . 1 1 43 43 TYR CE2 C 13 117.571 . . 3 . . . . 108 y CE2 . 16831 1 451 . 1 1 43 43 TYR N N 15 122.873 . . 1 . . . . 108 y N . 16831 1 452 . 1 1 44 44 HIS H H 1 8.264 . . 1 . . . . 109 h HN . 16831 1 453 . 1 1 44 44 HIS HA H 1 3.993 . . 1 . . . . 109 h HA . 16831 1 454 . 1 1 44 44 HIS HB2 H 1 3.208 . . 2 . . . . 109 h HB2 . 16831 1 455 . 1 1 44 44 HIS HD2 H 1 7.189 . . 1 . . . . 109 h HD2 . 16831 1 456 . 1 1 44 44 HIS HE1 H 1 8.268 . . 1 . . . . 109 h HE1 . 16831 1 457 . 1 1 44 44 HIS C C 13 178.157 . . 1 . . . . 109 h C . 16831 1 458 . 1 1 44 44 HIS CA C 13 58.552 . . 1 . . . . 109 h CA . 16831 1 459 . 1 1 44 44 HIS CB C 13 28.792 . . 1 . . . . 109 h CB . 16831 1 460 . 1 1 44 44 HIS N N 15 119.813 . . 1 . . . . 109 h N . 16831 1 461 . 1 1 45 45 ALA H H 1 7.991 . . 1 . . . . 110 a HN . 16831 1 462 . 1 1 45 45 ALA HA H 1 4.067 . . 1 . . . . 110 a HA . 16831 1 463 . 1 1 45 45 ALA HB1 H 1 1.469 . . 1 . . . . 110 a HB1 . 16831 1 464 . 1 1 45 45 ALA HB2 H 1 1.469 . . 1 . . . . 110 a HB1 . 16831 1 465 . 1 1 45 45 ALA HB3 H 1 1.469 . . 1 . . . . 110 a HB1 . 16831 1 466 . 1 1 45 45 ALA C C 13 177.055 . . 1 . . . . 110 a C . 16831 1 467 . 1 1 45 45 ALA CA C 13 54.627 . . 1 . . . . 110 a CA . 16831 1 468 . 1 1 45 45 ALA CB C 13 18.025 . . 1 . . . . 110 a CB . 16831 1 469 . 1 1 45 45 ALA N N 15 121.975 . . 1 . . . . 110 a N . 16831 1 470 . 1 1 46 46 ALA H H 1 7.597 . . 1 . . . . 111 a HN . 16831 1 471 . 1 1 46 46 ALA HA H 1 4.255 . . 1 . . . . 111 a HA . 16831 1 472 . 1 1 46 46 ALA HB1 H 1 1.468 . . 1 . . . . 111 a HB1 . 16831 1 473 . 1 1 46 46 ALA HB2 H 1 1.468 . . 1 . . . . 111 a HB1 . 16831 1 474 . 1 1 46 46 ALA HB3 H 1 1.468 . . 1 . . . . 111 a HB1 . 16831 1 475 . 1 1 46 46 ALA C C 13 179.303 . . 1 . . . . 111 a C . 16831 1 476 . 1 1 46 46 ALA CA C 13 53.892 . . 1 . . . . 111 a CA . 16831 1 477 . 1 1 46 46 ALA CB C 13 19.347 . . 1 . . . . 111 a CB . 16831 1 478 . 1 1 46 46 ALA N N 15 120.225 . . 1 . . . . 111 a N . 16831 1 479 . 1 1 47 47 THR H H 1 7.466 . . 1 . . . . 112 t HN . 16831 1 480 . 1 1 47 47 THR HA H 1 4.078 . . 1 . . . . 112 t HA . 16831 1 481 . 1 1 47 47 THR HB H 1 3.982 . . 1 . . . . 112 t HB . 16831 1 482 . 1 1 47 47 THR HG21 H 1 0.749 . . 1 . . . . 112 t HG21 . 16831 1 483 . 1 1 47 47 THR HG22 H 1 0.749 . . 1 . . . . 112 t HG21 . 16831 1 484 . 1 1 47 47 THR HG23 H 1 0.749 . . 1 . . . . 112 t HG21 . 16831 1 485 . 1 1 47 47 THR C C 13 179.380 . . 1 . . . . 112 t C . 16831 1 486 . 1 1 47 47 THR CA C 13 62.742 . . 1 . . . . 112 t CA . 16831 1 487 . 1 1 47 47 THR CB C 13 69.694 . . 1 . . . . 112 t CB . 16831 1 488 . 1 1 47 47 THR CG2 C 13 20.800 . . 1 . . . . 112 t CG2 . 16831 1 489 . 1 1 47 47 THR N N 15 110.333 . . 1 . . . . 112 t N . 16831 1 490 . 1 1 48 48 LEU H H 1 7.517 . . 1 . . . . 113 l HN . 16831 1 491 . 1 1 48 48 LEU HA H 1 4.159 . . 1 . . . . 113 l HA . 16831 1 492 . 1 1 48 48 LEU HB2 H 1 1.474 . . 2 . . . . 113 l HB1 . 16831 1 493 . 1 1 48 48 LEU HB3 H 1 1.617 . . 2 . . . . 113 l HB2 . 16831 1 494 . 1 1 48 48 LEU HD11 H 1 0.793 . . 2 . . . . 113 l HD11 . 16831 1 495 . 1 1 48 48 LEU HD12 H 1 0.793 . . 2 . . . . 113 l HD11 . 16831 1 496 . 1 1 48 48 LEU HD13 H 1 0.793 . . 2 . . . . 113 l HD11 . 16831 1 497 . 1 1 48 48 LEU HD21 H 1 0.766 . . 2 . . . . 113 l HD21 . 16831 1 498 . 1 1 48 48 LEU HD22 H 1 0.766 . . 2 . . . . 113 l HD21 . 16831 1 499 . 1 1 48 48 LEU HD23 H 1 0.766 . . 2 . . . . 113 l HD21 . 16831 1 500 . 1 1 48 48 LEU HG H 1 1.542 . . 1 . . . . 113 l HG . 16831 1 501 . 1 1 48 48 LEU C C 13 175.155 . . 1 . . . . 113 l C . 16831 1 502 . 1 1 48 48 LEU CA C 13 56.051 . . 1 . . . . 113 l CA . 16831 1 503 . 1 1 48 48 LEU CB C 13 42.291 . . 1 . . . . 113 l CB . 16831 1 504 . 1 1 48 48 LEU CD1 C 13 24.783 . . 1 . . . . 113 l CD1 . 16831 1 505 . 1 1 48 48 LEU CD2 C 13 23.767 . . 1 . . . . 113 l CD2 . 16831 1 506 . 1 1 48 48 LEU CG C 13 26.838 . . 1 . . . . 113 l CG . 16831 1 507 . 1 1 48 48 LEU N N 15 123.658 . . 1 . . . . 113 l N . 16831 1 508 . 1 1 49 49 GLU H H 1 7.994 . . 1 . . . . 114 e HN . 16831 1 509 . 1 1 49 49 GLU HA H 1 4.138 . . 1 . . . . 114 e HA . 16831 1 510 . 1 1 49 49 GLU HB2 H 1 1.899 . . 2 . . . . 114 e HB2 . 16831 1 511 . 1 1 49 49 GLU HG2 H 1 2.140 . . 2 . . . . 114 e HG1 . 16831 1 512 . 1 1 49 49 GLU HG3 H 1 2.212 . . 2 . . . . 114 e HG2 . 16831 1 513 . 1 1 49 49 GLU C C 13 177.460 . . 1 . . . . 114 e C . 16831 1 514 . 1 1 49 49 GLU CA C 13 56.783 . . 1 . . . . 114 e CA . 16831 1 515 . 1 1 49 49 GLU CB C 13 30.293 . . 1 . . . . 114 e CB . 16831 1 516 . 1 1 49 49 GLU CG C 13 36.279 . . 1 . . . . 114 e CG . 16831 1 517 . 1 1 49 49 GLU N N 15 120.846 . . 1 . . . . 114 e N . 16831 1 518 . 1 1 50 50 HIS H H 1 8.233 . . 1 . . . . 115 h HN . 16831 1 519 . 1 1 50 50 HIS HA H 1 4.582 . . 1 . . . . 115 h HA . 16831 1 520 . 1 1 50 50 HIS HB2 H 1 3.049 . . 2 . . . . 115 h HB1 . 16831 1 521 . 1 1 50 50 HIS HB3 H 1 3.139 . . 2 . . . . 115 h HB2 . 16831 1 522 . 1 1 50 50 HIS HD2 H 1 7.094 . . 1 . . . . 115 h HD2 . 16831 1 523 . 1 1 50 50 HIS C C 13 176.503 . . 1 . . . . 115 h C . 16831 1 524 . 1 1 50 50 HIS CA C 13 55.783 . . 1 . . . . 115 h CA . 16831 1 525 . 1 1 50 50 HIS CB C 13 29.790 . . 1 . . . . 115 h CB . 16831 1 526 . 1 1 50 50 HIS N N 15 119.726 . . 1 . . . . 115 h N . 16831 1 527 . 1 1 51 51 HIS H H 1 8.395 . . 1 . . . . 116 h HN . 16831 1 528 . 1 1 51 51 HIS HA H 1 4.631 . . 1 . . . . 116 h HA . 16831 1 529 . 1 1 51 51 HIS HB2 H 1 3.172 . . 2 . . . . 116 h HB2 . 16831 1 530 . 1 1 51 51 HIS HD2 H 1 7.114 . . 1 . . . . 116 h HD2 . 16831 1 531 . 1 1 51 51 HIS C C 13 174.794 . . 1 . . . . 116 h C . 16831 1 532 . 1 1 51 51 HIS CA C 13 55.801 . . 1 . . . . 116 h CA . 16831 1 533 . 1 1 51 51 HIS CB C 13 29.802 . . 1 . . . . 116 h CB . 16831 1 534 . 1 1 51 51 HIS N N 15 120.283 . . 1 . . . . 116 h N . 16831 1 535 . 1 1 52 52 HIS H H 1 8.277 . . 1 . . . . 117 h HN . 16831 1 536 . 1 1 52 52 HIS HA H 1 4.793 . . 1 . . . . 117 h HA . 16831 1 537 . 1 1 52 52 HIS HB2 H 1 3.145 . . 2 . . . . 117 h HB1 . 16831 1 538 . 1 1 52 52 HIS HB3 H 1 3.286 . . 2 . . . . 117 h HB2 . 16831 1 539 . 1 1 52 52 HIS C C 13 173.834 . . 1 . . . . 117 h C . 16831 1 540 . 1 1 52 52 HIS CA C 13 57.341 . . 1 . . . . 117 h CA . 16831 1 541 . 1 1 52 52 HIS CB C 13 29.793 . . 1 . . . . 117 h CB . 16831 1 542 . 1 1 52 52 HIS N N 15 126.158 . . 1 . . . . 117 h N . 16831 1 stop_ save_