data_6402 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6402 _Entry.Title ; Solution structure of the carbon storage regulator CsrA from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-26 _Entry.Accession_date 2004-11-29 _Entry.Last_release_date 2005-05-23 _Entry.Original_release_date 2005-05-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Pablo Gutierrez . . . 6402 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6402 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 165 6402 '1H chemical shifts' 280 6402 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 . . 2005-05-23 2004-11-26 original author . 6402 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Y00 'BMRB Entry Tracking System' 6402 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6402 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15866937 _Citation.Full_citation . _Citation.Title ; Solution structure of the carbon storage regulator protein CsrA from Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full . _Citation.Journal_volume 187 _Citation.Journal_issue 10 _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 3496 _Citation.Page_last 3501 _Citation.Year 2005 _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 P. Gutierrez . . . 6402 1 2 Y. Li . . . 6402 1 3 M. Osborne . J. . 6402 1 4 E. Pomerantseva . . . 6402 1 5 Q. Liu . . . 6402 1 6 K. Gehring . . . 6402 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CsrA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CsrA _Assembly.Entry_ID 6402 _Assembly.ID 1 _Assembly.Name 'CsrA dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6402 1 stop_ 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 'CsrA subunit A' 1 $CsrA . . . native . . 1 . . 6402 1 2 'CsrA subunit B' 1 $CsrA . . . native . . 1 . . 6402 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CsrA abbreviation 6402 1 'CsrA dimer' system 6402 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CsrA _Entity.Sf_category entity _Entity.Sf_framecode CsrA _Entity.Entry_ID 6402 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Carbon storage regulator' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLILTRRVGETLMIGDEVTV TVLGVKGNQVRIGVNAPKEV SVHREEIYQRIQAEKSQQSS Y ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 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 1Y00 . "Solution Structure Of The Carbon Storage Regulator Protein Csra" . . . . . 98.36 61 100.00 100.00 5.37e-33 . . . . 6402 1 2 no DBJ BAA16558 . "pleiotropic regulatory protein for carbon source metabolism [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 3 no DBJ BAA21555 . "ZfiA protein [Escherichia coli]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 4 no DBJ BAB36976 . "carbon storage regulator [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 5 no DBJ BAG78468 . "carbon storage regulator [Escherichia coli SE11]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 6 no DBJ BAH64816 . "carbon storage regulator [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 7 no EMBL CAB45388 . "RsmA protein [Serratia marcescens]" . . . . . 91.80 69 100.00 100.00 3.86e-30 . . . . 6402 1 8 no EMBL CAD05932 . "carbon storage regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 9 no EMBL CAG21381 . "putative carbon storage regulator [Photobacterium profundum SS9]" . . . . . 90.16 65 98.18 98.18 2.53e-28 . . . . 6402 1 10 no EMBL CAP77131 . "Carbon storage regulator [Escherichia coli LF82]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 11 no EMBL CAQ33028 . "carbon storage regulator; pleiotropic regulatory protein for carbon source metabolism, subunit of CsrA complex with CsrB RNA [E" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 12 no GB AAA71919 . "carbon storage regulator [Escherichia coli]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 13 no GB AAC25783 . "RsmA [Serratia marcescens]" . . . . . 91.80 69 100.00 100.00 3.86e-30 . . . . 6402 1 14 no GB AAC75738 . "pleiotropic regulatory protein for carbon source metabolism [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 15 no GB AAF80413 . "carbon storage regulator CsrA [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 16 no GB AAG35184 . "carbon storage regulator CsrA [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 17 no PIR AE0843 . "carbon storage regulator csrA [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 18 no REF NP_289242 . "carbon storage regulator [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 19 no REF NP_311580 . "carbon storage regulator [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 20 no REF NP_417176 . "pleiotropic regulatory protein for carbon source metabolism [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 21 no REF NP_457219 . "carbon storage regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 22 no REF NP_461747 . "carbon storage regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 23 no SP A3QC90 . "RecName: Full=Carbon storage regulator homolog [Shewanella loihica PV-4]" . . . . . 85.25 65 100.00 100.00 6.58e-27 . . . . 6402 1 24 no SP A4SSA1 . "RecName: Full=Carbon storage regulator homolog [Aeromonas salmonicida subsp. salmonicida A449]" . . . . . 90.16 62 98.18 98.18 2.59e-28 . . . . 6402 1 25 no SP A4WDQ5 . "RecName: Full=Carbon storage regulator homolog [Enterobacter sp. 638]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 26 no SP A6TCV8 . "RecName: Full=Carbon storage regulator homolog [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 27 no SP A7MJ32 . "RecName: Full=Carbon storage regulator homolog [Cronobacter sakazakii ATCC BAA-894]" . . . . . 100.00 61 100.00 100.00 4.23e-34 . . . . 6402 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Carbon storage regulator' common 6402 1 CsrA abbreviation 6402 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 . 6402 1 2 . LEU . 6402 1 3 . ILE . 6402 1 4 . LEU . 6402 1 5 . THR . 6402 1 6 . ARG . 6402 1 7 . ARG . 6402 1 8 . VAL . 6402 1 9 . GLY . 6402 1 10 . GLU . 6402 1 11 . THR . 6402 1 12 . LEU . 6402 1 13 . MET . 6402 1 14 . ILE . 6402 1 15 . GLY . 6402 1 16 . ASP . 6402 1 17 . GLU . 6402 1 18 . VAL . 6402 1 19 . THR . 6402 1 20 . VAL . 6402 1 21 . THR . 6402 1 22 . VAL . 6402 1 23 . LEU . 6402 1 24 . GLY . 6402 1 25 . VAL . 6402 1 26 . LYS . 6402 1 27 . GLY . 6402 1 28 . ASN . 6402 1 29 . GLN . 6402 1 30 . VAL . 6402 1 31 . ARG . 6402 1 32 . ILE . 6402 1 33 . GLY . 6402 1 34 . VAL . 6402 1 35 . ASN . 6402 1 36 . ALA . 6402 1 37 . PRO . 6402 1 38 . LYS . 6402 1 39 . GLU . 6402 1 40 . VAL . 6402 1 41 . SER . 6402 1 42 . VAL . 6402 1 43 . HIS . 6402 1 44 . ARG . 6402 1 45 . GLU . 6402 1 46 . GLU . 6402 1 47 . ILE . 6402 1 48 . TYR . 6402 1 49 . GLN . 6402 1 50 . ARG . 6402 1 51 . ILE . 6402 1 52 . GLN . 6402 1 53 . ALA . 6402 1 54 . GLU . 6402 1 55 . LYS . 6402 1 56 . SER . 6402 1 57 . GLN . 6402 1 58 . GLN . 6402 1 59 . SER . 6402 1 60 . SER . 6402 1 61 . TYR . 6402 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 6402 1 . LEU 2 2 6402 1 . ILE 3 3 6402 1 . LEU 4 4 6402 1 . THR 5 5 6402 1 . ARG 6 6 6402 1 . ARG 7 7 6402 1 . VAL 8 8 6402 1 . GLY 9 9 6402 1 . GLU 10 10 6402 1 . THR 11 11 6402 1 . LEU 12 12 6402 1 . MET 13 13 6402 1 . ILE 14 14 6402 1 . GLY 15 15 6402 1 . ASP 16 16 6402 1 . GLU 17 17 6402 1 . VAL 18 18 6402 1 . THR 19 19 6402 1 . VAL 20 20 6402 1 . THR 21 21 6402 1 . VAL 22 22 6402 1 . LEU 23 23 6402 1 . GLY 24 24 6402 1 . VAL 25 25 6402 1 . LYS 26 26 6402 1 . GLY 27 27 6402 1 . ASN 28 28 6402 1 . GLN 29 29 6402 1 . VAL 30 30 6402 1 . ARG 31 31 6402 1 . ILE 32 32 6402 1 . GLY 33 33 6402 1 . VAL 34 34 6402 1 . ASN 35 35 6402 1 . ALA 36 36 6402 1 . PRO 37 37 6402 1 . LYS 38 38 6402 1 . GLU 39 39 6402 1 . VAL 40 40 6402 1 . SER 41 41 6402 1 . VAL 42 42 6402 1 . HIS 43 43 6402 1 . ARG 44 44 6402 1 . GLU 45 45 6402 1 . GLU 46 46 6402 1 . ILE 47 47 6402 1 . TYR 48 48 6402 1 . GLN 49 49 6402 1 . ARG 50 50 6402 1 . ILE 51 51 6402 1 . GLN 52 52 6402 1 . ALA 53 53 6402 1 . GLU 54 54 6402 1 . LYS 55 55 6402 1 . SER 56 56 6402 1 . GLN 57 57 6402 1 . GLN 58 58 6402 1 . SER 59 59 6402 1 . SER 60 60 6402 1 . TYR 61 61 6402 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 6402 _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 $CsrA . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 6402 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 6402 _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 $CsrA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6402 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 6402 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Carbon storage regulator' . . . 1 $CsrA . . . 1.0 4 mM . . . . 6402 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 6402 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 0.2 pH 6402 1 temperature 310 1 K 6402 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 6402 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6402 _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 unknown unknown . 0 'spectrometer information not available' . . 6402 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 6402 _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 . . . . . . . . . . . . 1 $Sample_1 . . . 1 $Cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6402 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6402 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6402 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6402 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $Sample_1 . 6402 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 52.510 . . 1 . . . . . . . . 6402 1 2 . 1 1 1 1 MET HA H 1 4.534 . . 1 . . . . . . . . 6402 1 3 . 1 1 1 1 MET CB C 13 31.299 . . 1 . . . . . . . . 6402 1 4 . 1 1 2 2 LEU H H 1 8.232 . . 1 . . . . . . . . 6402 1 5 . 1 1 2 2 LEU CA C 13 51.096 . . 1 . . . . . . . . 6402 1 6 . 1 1 2 2 LEU HA H 1 4.481 . . 1 . . . . . . . . 6402 1 7 . 1 1 2 2 LEU CB C 13 41.009 . . 1 . . . . . . . . 6402 1 8 . 1 1 2 2 LEU HB3 H 1 1.468 . . 2 . . . . . . . . 6402 1 9 . 1 1 2 2 LEU CG C 13 24.178 . . 1 . . . . . . . . 6402 1 10 . 1 1 2 2 LEU HG H 1 1.408 . . 1 . . . . . . . . 6402 1 11 . 1 1 2 2 LEU CD1 C 13 21.471 . . 1 . . . . . . . . 6402 1 12 . 1 1 2 2 LEU HD11 H 1 0.775 . . 2 . . . . . . . . 6402 1 13 . 1 1 2 2 LEU HD12 H 1 0.775 . . 2 . . . . . . . . 6402 1 14 . 1 1 2 2 LEU HD13 H 1 0.775 . . 2 . . . . . . . . 6402 1 15 . 1 1 2 2 LEU CD2 C 13 21.471 . . 1 . . . . . . . . 6402 1 16 . 1 1 2 2 LEU HD21 H 1 0.710 . . 2 . . . . . . . . 6402 1 17 . 1 1 2 2 LEU HD22 H 1 0.710 . . 2 . . . . . . . . 6402 1 18 . 1 1 2 2 LEU HD23 H 1 0.710 . . 2 . . . . . . . . 6402 1 19 . 1 1 3 3 ILE H H 1 8.355 . . 1 . . . . . . . . 6402 1 20 . 1 1 3 3 ILE CA C 13 57.600 . . 1 . . . . . . . . 6402 1 21 . 1 1 3 3 ILE HA H 1 4.890 . . 1 . . . . . . . . 6402 1 22 . 1 1 3 3 ILE CB C 13 35.730 . . 1 . . . . . . . . 6402 1 23 . 1 1 3 3 ILE HB H 1 1.536 . . 1 . . . . . . . . 6402 1 24 . 1 1 3 3 ILE CG1 C 13 24.449 . . 2 . . . . . . . . 6402 1 25 . 1 1 3 3 ILE HG13 H 1 1.333 . . 1 . . . . . . . . 6402 1 26 . 1 1 3 3 ILE CD1 C 13 9.919 . . 1 . . . . . . . . 6402 1 27 . 1 1 3 3 ILE HD11 H 1 0.524 . . 1 . . . . . . . . 6402 1 28 . 1 1 3 3 ILE HD12 H 1 0.524 . . 1 . . . . . . . . 6402 1 29 . 1 1 3 3 ILE HD13 H 1 0.524 . . 1 . . . . . . . . 6402 1 30 . 1 1 3 3 ILE CG2 C 13 14.161 . . 1 . . . . . . . . 6402 1 31 . 1 1 3 3 ILE HG21 H 1 0.550 . . 1 . . . . . . . . 6402 1 32 . 1 1 3 3 ILE HG22 H 1 0.550 . . 1 . . . . . . . . 6402 1 33 . 1 1 3 3 ILE HG23 H 1 0.550 . . 1 . . . . . . . . 6402 1 34 . 1 1 4 4 LEU H H 1 9.079 . . 1 . . . . . . . . 6402 1 35 . 1 1 4 4 LEU CA C 13 50.907 . . 1 . . . . . . . . 6402 1 36 . 1 1 4 4 LEU HA H 1 4.730 . . 1 . . . . . . . . 6402 1 37 . 1 1 4 4 LEU CB C 13 42.317 . . 1 . . . . . . . . 6402 1 38 . 1 1 4 4 LEU HB3 H 1 1.402 . . 2 . . . . . . . . 6402 1 39 . 1 1 4 4 LEU CG C 13 23.907 . . 1 . . . . . . . . 6402 1 40 . 1 1 4 4 LEU HG H 1 1.561 . . 1 . . . . . . . . 6402 1 41 . 1 1 4 4 LEU CD1 C 13 22.193 . . 1 . . . . . . . . 6402 1 42 . 1 1 4 4 LEU HD11 H 1 1.209 . . 1 . . . . . . . . 6402 1 43 . 1 1 4 4 LEU HD12 H 1 1.209 . . 1 . . . . . . . . 6402 1 44 . 1 1 4 4 LEU HD13 H 1 1.209 . . 1 . . . . . . . . 6402 1 45 . 1 1 4 4 LEU CD2 C 13 22.193 . . 1 . . . . . . . . 6402 1 46 . 1 1 4 4 LEU HD21 H 1 1.209 . . 1 . . . . . . . . 6402 1 47 . 1 1 4 4 LEU HD22 H 1 1.209 . . 1 . . . . . . . . 6402 1 48 . 1 1 4 4 LEU HD23 H 1 1.209 . . 1 . . . . . . . . 6402 1 49 . 1 1 5 5 THR CA C 13 57.600 . . 1 . . . . . . . . 6402 1 50 . 1 1 5 5 THR HA H 1 5.300 . . 1 . . . . . . . . 6402 1 51 . 1 1 5 5 THR CB C 13 67.204 . . 1 . . . . . . . . 6402 1 52 . 1 1 5 5 THR HB H 1 3.801 . . 1 . . . . . . . . 6402 1 53 . 1 1 5 5 THR CG2 C 13 18.850 . . 1 . . . . . . . . 6402 1 54 . 1 1 5 5 THR HG21 H 1 0.920 . . 1 . . . . . . . . 6402 1 55 . 1 1 5 5 THR HG22 H 1 0.920 . . 1 . . . . . . . . 6402 1 56 . 1 1 5 5 THR HG23 H 1 0.920 . . 1 . . . . . . . . 6402 1 57 . 1 1 6 6 ARG H H 1 9.204 . . 1 . . . . . . . . 6402 1 58 . 1 1 6 6 ARG CA C 13 51.756 . . 1 . . . . . . . . 6402 1 59 . 1 1 6 6 ARG HA H 1 4.748 . . 1 . . . . . . . . 6402 1 60 . 1 1 6 6 ARG CB C 13 33.980 . . 1 . . . . . . . . 6402 1 61 . 1 1 6 6 ARG HB3 H 1 1.544 . . 2 . . . . . . . . 6402 1 62 . 1 1 6 6 ARG HB2 H 1 1.680 . . 2 . . . . . . . . 6402 1 63 . 1 1 7 7 ARG H H 1 9.249 . . 1 . . . . . . . . 6402 1 64 . 1 1 7 7 ARG CA C 13 51.096 . . 1 . . . . . . . . 6402 1 65 . 1 1 7 7 ARG HA H 1 5.051 . . 1 . . . . . . . . 6402 1 66 . 1 1 7 7 ARG CB C 13 29.051 . . 1 . . . . . . . . 6402 1 67 . 1 1 7 7 ARG HB3 H 1 1.646 . . 2 . . . . . . . . 6402 1 68 . 1 1 7 7 ARG CG C 13 25.080 . . 1 . . . . . . . . 6402 1 69 . 1 1 7 7 ARG HG3 H 1 1.412 . . 2 . . . . . . . . 6402 1 70 . 1 1 7 7 ARG HG2 H 1 1.478 . . 2 . . . . . . . . 6402 1 71 . 1 1 7 7 ARG CD C 13 40.332 . . 1 . . . . . . . . 6402 1 72 . 1 1 7 7 ARG HD3 H 1 3.042 . . 2 . . . . . . . . 6402 1 73 . 1 1 8 8 VAL H H 1 7.510 . . 1 . . . . . . . . 6402 1 74 . 1 1 8 8 VAL CA C 13 62.798 . . 1 . . . . . . . . 6402 1 75 . 1 1 8 8 VAL HA H 1 3.200 . . 1 . . . . . . . . 6402 1 76 . 1 1 8 8 VAL CB C 13 28.690 . . 1 . . . . . . . . 6402 1 77 . 1 1 8 8 VAL HB H 1 1.758 . . 1 . . . . . . . . 6402 1 78 . 1 1 8 8 VAL CG2 C 13 19.846 . . 1 . . . . . . . . 6402 1 79 . 1 1 8 8 VAL HG21 H 1 0.871 . . 2 . . . . . . . . 6402 1 80 . 1 1 8 8 VAL HG22 H 1 0.871 . . 2 . . . . . . . . 6402 1 81 . 1 1 8 8 VAL HG23 H 1 0.871 . . 2 . . . . . . . . 6402 1 82 . 1 1 8 8 VAL CG1 C 13 17.951 . . 1 . . . . . . . . 6402 1 83 . 1 1 8 8 VAL HG11 H 1 0.721 . . 2 . . . . . . . . 6402 1 84 . 1 1 8 8 VAL HG12 H 1 0.721 . . 2 . . . . . . . . 6402 1 85 . 1 1 8 8 VAL HG13 H 1 0.721 . . 2 . . . . . . . . 6402 1 86 . 1 1 9 9 GLY CA C 13 41.480 . . 1 . . . . . . . . 6402 1 87 . 1 1 9 9 GLY HA3 H 1 4.279 . . 2 . . . . . . . . 6402 1 88 . 1 1 9 9 GLY HA2 H 1 3.502 . . 2 . . . . . . . . 6402 1 89 . 1 1 10 10 GLU H H 1 8.325 . . 1 . . . . . . . . 6402 1 90 . 1 1 10 10 GLU CA C 13 53.075 . . 1 . . . . . . . . 6402 1 91 . 1 1 10 10 GLU CB C 13 29.037 . . 1 . . . . . . . . 6402 1 92 . 1 1 11 11 THR H H 1 8.325 . . 1 . . . . . . . . 6402 1 93 . 1 1 11 11 THR CA C 13 58.808 . . 1 . . . . . . . . 6402 1 94 . 1 1 11 11 THR HA H 1 5.175 . . 1 . . . . . . . . 6402 1 95 . 1 1 11 11 THR CB C 13 69.300 . . 1 . . . . . . . . 6402 1 96 . 1 1 11 11 THR HB H 1 3.680 . . 1 . . . . . . . . 6402 1 97 . 1 1 11 11 THR CG2 C 13 19.666 . . 1 . . . . . . . . 6402 1 98 . 1 1 11 11 THR HG21 H 1 0.922 . . 1 . . . . . . . . 6402 1 99 . 1 1 11 11 THR HG22 H 1 0.922 . . 1 . . . . . . . . 6402 1 100 . 1 1 11 11 THR HG23 H 1 0.922 . . 1 . . . . . . . . 6402 1 101 . 1 1 12 12 LEU H H 1 9.382 . . 1 . . . . . . . . 6402 1 102 . 1 1 12 12 LEU CA C 13 50.937 . . 1 . . . . . . . . 6402 1 103 . 1 1 12 12 LEU HA H 1 4.745 . . 1 . . . . . . . . 6402 1 104 . 1 1 12 12 LEU CB C 13 42.400 . . 1 . . . . . . . . 6402 1 105 . 1 1 12 12 LEU HB3 H 1 1.432 . . 2 . . . . . . . . 6402 1 106 . 1 1 12 12 LEU HB2 H 1 1.395 . . 2 . . . . . . . . 6402 1 107 . 1 1 12 12 LEU CG C 13 23.113 . . 1 . . . . . . . . 6402 1 108 . 1 1 12 12 LEU HG H 1 1.511 . . 1 . . . . . . . . 6402 1 109 . 1 1 12 12 LEU CD1 C 13 23.389 . . 1 . . . . . . . . 6402 1 110 . 1 1 12 12 LEU HD11 H 1 0.637 . . 2 . . . . . . . . 6402 1 111 . 1 1 12 12 LEU HD12 H 1 0.637 . . 2 . . . . . . . . 6402 1 112 . 1 1 12 12 LEU HD13 H 1 0.637 . . 2 . . . . . . . . 6402 1 113 . 1 1 12 12 LEU CD2 C 13 22.263 . . 1 . . . . . . . . 6402 1 114 . 1 1 12 12 LEU HD21 H 1 0.699 . . 2 . . . . . . . . 6402 1 115 . 1 1 12 12 LEU HD22 H 1 0.699 . . 2 . . . . . . . . 6402 1 116 . 1 1 12 12 LEU HD23 H 1 0.699 . . 2 . . . . . . . . 6402 1 117 . 1 1 13 13 MET H H 1 8.913 . . 1 . . . . . . . . 6402 1 118 . 1 1 13 13 MET CA C 13 51.473 . . 1 . . . . . . . . 6402 1 119 . 1 1 13 13 MET HA H 1 4.801 . . 1 . . . . . . . . 6402 1 120 . 1 1 13 13 MET CB C 13 31.488 . . 1 . . . . . . . . 6402 1 121 . 1 1 14 14 ILE H H 1 8.424 . . 1 . . . . . . . . 6402 1 122 . 1 1 14 14 ILE CA C 13 57.129 . . 1 . . . . . . . . 6402 1 123 . 1 1 14 14 ILE HA H 1 4.232 . . 1 . . . . . . . . 6402 1 124 . 1 1 14 14 ILE CB C 13 35.691 . . 1 . . . . . . . . 6402 1 125 . 1 1 14 14 ILE HB H 1 1.479 . . 1 . . . . . . . . 6402 1 126 . 1 1 14 14 ILE CG1 C 13 24.411 . . 2 . . . . . . . . 6402 1 127 . 1 1 14 14 ILE HG13 H 1 1.466 . . 1 . . . . . . . . 6402 1 128 . 1 1 14 14 ILE HG12 H 1 1.221 . . 1 . . . . . . . . 6402 1 129 . 1 1 14 14 ILE CD1 C 13 14.251 . . 1 . . . . . . . . 6402 1 130 . 1 1 14 14 ILE HD11 H 1 0.601 . . 1 . . . . . . . . 6402 1 131 . 1 1 14 14 ILE HD12 H 1 0.601 . . 1 . . . . . . . . 6402 1 132 . 1 1 14 14 ILE HD13 H 1 0.601 . . 1 . . . . . . . . 6402 1 133 . 1 1 14 14 ILE CG2 C 13 10.732 . . 1 . . . . . . . . 6402 1 134 . 1 1 14 14 ILE HG21 H 1 0.461 . . 1 . . . . . . . . 6402 1 135 . 1 1 14 14 ILE HG22 H 1 0.461 . . 1 . . . . . . . . 6402 1 136 . 1 1 14 14 ILE HG23 H 1 0.461 . . 1 . . . . . . . . 6402 1 137 . 1 1 15 15 GLY H H 1 8.807 . . 1 . . . . . . . . 6402 1 138 . 1 1 15 15 GLY CA C 13 42.894 . . 1 . . . . . . . . 6402 1 139 . 1 1 15 15 GLY HA3 H 1 3.840 . . 2 . . . . . . . . 6402 1 140 . 1 1 16 16 ASP H H 1 8.451 . . 1 . . . . . . . . 6402 1 141 . 1 1 16 16 ASP CA C 13 52.133 . . 1 . . . . . . . . 6402 1 142 . 1 1 16 16 ASP CB C 13 38.746 . . 1 . . . . . . . . 6402 1 143 . 1 1 17 17 GLU H H 1 8.294 . . 1 . . . . . . . . 6402 1 144 . 1 1 17 17 GLU CA C 13 53.735 . . 1 . . . . . . . . 6402 1 145 . 1 1 17 17 GLU HA H 1 4.445 . . 1 . . . . . . . . 6402 1 146 . 1 1 17 17 GLU CB C 13 28.942 . . 1 . . . . . . . . 6402 1 147 . 1 1 18 18 VAL H H 1 7.046 . . 1 . . . . . . . . 6402 1 148 . 1 1 18 18 VAL CA C 13 58.454 . . 1 . . . . . . . . 6402 1 149 . 1 1 18 18 VAL HA H 1 54.971 . . 1 . . . . . . . . 6402 1 150 . 1 1 18 18 VAL CB C 13 30.451 . . 1 . . . . . . . . 6402 1 151 . 1 1 18 18 VAL HB H 1 2.289 . . 1 . . . . . . . . 6402 1 152 . 1 1 18 18 VAL CG2 C 13 18.679 . . 1 . . . . . . . . 6402 1 153 . 1 1 18 18 VAL HG21 H 1 0.838 . . 2 . . . . . . . . 6402 1 154 . 1 1 18 18 VAL HG22 H 1 0.838 . . 2 . . . . . . . . 6402 1 155 . 1 1 18 18 VAL HG23 H 1 0.838 . . 2 . . . . . . . . 6402 1 156 . 1 1 18 18 VAL CG1 C 13 18.618 . . 1 . . . . . . . . 6402 1 157 . 1 1 18 18 VAL HG11 H 1 0.703 . . 2 . . . . . . . . 6402 1 158 . 1 1 18 18 VAL HG12 H 1 0.703 . . 2 . . . . . . . . 6402 1 159 . 1 1 18 18 VAL HG13 H 1 0.703 . . 2 . . . . . . . . 6402 1 160 . 1 1 19 19 THR H H 1 8.810 . . 1 . . . . . . . . 6402 1 161 . 1 1 19 19 THR CA C 13 56.940 . . 1 . . . . . . . . 6402 1 162 . 1 1 19 19 THR HA H 1 5.086 . . 1 . . . . . . . . 6402 1 163 . 1 1 19 19 THR CB C 13 68.253 . . 1 . . . . . . . . 6402 1 164 . 1 1 19 19 THR HB H 1 3.823 . . 1 . . . . . . . . 6402 1 165 . 1 1 19 19 THR CG2 C 13 18.854 . . 1 . . . . . . . . 6402 1 166 . 1 1 19 19 THR HG21 H 1 0.943 . . 1 . . . . . . . . 6402 1 167 . 1 1 19 19 THR HG22 H 1 0.943 . . 1 . . . . . . . . 6402 1 168 . 1 1 19 19 THR HG23 H 1 0.943 . . 1 . . . . . . . . 6402 1 169 . 1 1 20 20 VAL H H 1 8.859 . . 1 . . . . . . . . 6402 1 170 . 1 1 20 20 VAL CA C 13 57.883 . . 1 . . . . . . . . 6402 1 171 . 1 1 20 20 VAL HA H 1 4.801 . . 1 . . . . . . . . 6402 1 172 . 1 1 20 20 VAL CB C 13 31.582 . . 1 . . . . . . . . 6402 1 173 . 1 1 20 20 VAL HB H 1 1.768 . . 1 . . . . . . . . 6402 1 174 . 1 1 20 20 VAL CG2 C 13 18.135 . . 1 . . . . . . . . 6402 1 175 . 1 1 20 20 VAL HG21 H 1 0.582 . . 2 . . . . . . . . 6402 1 176 . 1 1 20 20 VAL HG22 H 1 0.582 . . 2 . . . . . . . . 6402 1 177 . 1 1 20 20 VAL HG23 H 1 0.582 . . 2 . . . . . . . . 6402 1 178 . 1 1 21 21 THR H H 1 9.442 . . 1 . . . . . . . . 6402 1 179 . 1 1 21 21 THR CA C 13 58.449 . . 1 . . . . . . . . 6402 1 180 . 1 1 21 21 THR HA H 1 4.766 . . 1 . . . . . . . . 6402 1 181 . 1 1 21 21 THR CB C 13 68.724 . . 1 . . . . . . . . 6402 1 182 . 1 1 21 21 THR HB H 1 3.431 . . 1 . . . . . . . . 6402 1 183 . 1 1 21 21 THR CG2 C 13 17.590 . . 1 . . . . . . . . 6402 1 184 . 1 1 21 21 THR HG21 H 1 0.744 . . 1 . . . . . . . . 6402 1 185 . 1 1 21 21 THR HG22 H 1 0.744 . . 1 . . . . . . . . 6402 1 186 . 1 1 21 21 THR HG23 H 1 0.744 . . 1 . . . . . . . . 6402 1 187 . 1 1 22 22 VAL H H 1 7.949 . . 1 . . . . . . . . 6402 1 188 . 1 1 22 22 VAL CA C 13 60.711 . . 1 . . . . . . . . 6402 1 189 . 1 1 22 22 VAL HA H 1 3.769 . . 1 . . . . . . . . 6402 1 190 . 1 1 22 22 VAL CB C 13 27.333 . . 1 . . . . . . . . 6402 1 191 . 1 1 22 22 VAL HB H 1 2.158 . . 1 . . . . . . . . 6402 1 192 . 1 1 22 22 VAL CG2 C 13 17.315 . . 1 . . . . . . . . 6402 1 193 . 1 1 22 22 VAL HG21 H 1 0.559 . . 2 . . . . . . . . 6402 1 194 . 1 1 22 22 VAL HG22 H 1 0.559 . . 2 . . . . . . . . 6402 1 195 . 1 1 22 22 VAL HG23 H 1 0.559 . . 2 . . . . . . . . 6402 1 196 . 1 1 22 22 VAL CG1 C 13 19.112 . . 1 . . . . . . . . 6402 1 197 . 1 1 22 22 VAL HG11 H 1 0.607 . . 2 . . . . . . . . 6402 1 198 . 1 1 22 22 VAL HG12 H 1 0.607 . . 2 . . . . . . . . 6402 1 199 . 1 1 22 22 VAL HG13 H 1 0.607 . . 2 . . . . . . . . 6402 1 200 . 1 1 23 23 LEU H H 1 8.909 . . 1 . . . . . . . . 6402 1 201 . 1 1 23 23 LEU CA C 13 52.415 . . 1 . . . . . . . . 6402 1 202 . 1 1 23 23 LEU HA H 1 4.392 . . 1 . . . . . . . . 6402 1 203 . 1 1 23 23 LEU CB C 13 39.783 . . 1 . . . . . . . . 6402 1 204 . 1 1 23 23 LEU HB3 H 1 1.200 . . 2 . . . . . . . . 6402 1 205 . 1 1 23 23 LEU HB2 H 1 1.315 . . 2 . . . . . . . . 6402 1 206 . 1 1 23 23 LEU CG C 13 23.496 . . 1 . . . . . . . . 6402 1 207 . 1 1 23 23 LEU HG H 1 1.497 . . 1 . . . . . . . . 6402 1 208 . 1 1 23 23 LEU CD1 C 13 23.434 . . 1 . . . . . . . . 6402 1 209 . 1 1 23 23 LEU HD11 H 1 0.630 . . 2 . . . . . . . . 6402 1 210 . 1 1 23 23 LEU HD12 H 1 0.630 . . 2 . . . . . . . . 6402 1 211 . 1 1 23 23 LEU HD13 H 1 0.630 . . 2 . . . . . . . . 6402 1 212 . 1 1 23 23 LEU CD2 C 13 19.133 . . 1 . . . . . . . . 6402 1 213 . 1 1 23 23 LEU HD21 H 1 0.605 . . 2 . . . . . . . . 6402 1 214 . 1 1 23 23 LEU HD22 H 1 0.605 . . 2 . . . . . . . . 6402 1 215 . 1 1 23 23 LEU HD23 H 1 0.605 . . 2 . . . . . . . . 6402 1 216 . 1 1 24 24 GLY H H 1 7.506 . . 1 . . . . . . . . 6402 1 217 . 1 1 24 24 GLY CA C 13 43.083 . . 1 . . . . . . . . 6402 1 218 . 1 1 24 24 GLY HA3 H 1 3.965 . . 2 . . . . . . . . 6402 1 219 . 1 1 25 25 VAL H H 1 8.341 . . 1 . . . . . . . . 6402 1 220 . 1 1 25 25 VAL CA C 13 58.019 . . 1 . . . . . . . . 6402 1 221 . 1 1 25 25 VAL HA H 1 4.606 . . 1 . . . . . . . . 6402 1 222 . 1 1 25 25 VAL CB C 13 32.996 . . 1 . . . . . . . . 6402 1 223 . 1 1 25 25 VAL HB H 1 1.705 . . 1 . . . . . . . . 6402 1 224 . 1 1 25 25 VAL CG2 C 13 18.918 . . 1 . . . . . . . . 6402 1 225 . 1 1 25 25 VAL HG21 H 1 0.676 . . 2 . . . . . . . . 6402 1 226 . 1 1 25 25 VAL HG22 H 1 0.676 . . 2 . . . . . . . . 6402 1 227 . 1 1 25 25 VAL HG23 H 1 0.676 . . 2 . . . . . . . . 6402 1 228 . 1 1 25 25 VAL CG1 C 13 17.659 . . 1 . . . . . . . . 6402 1 229 . 1 1 25 25 VAL HG11 H 1 0.569 . . 2 . . . . . . . . 6402 1 230 . 1 1 25 25 VAL HG12 H 1 0.569 . . 2 . . . . . . . . 6402 1 231 . 1 1 25 25 VAL HG13 H 1 0.569 . . 2 . . . . . . . . 6402 1 232 . 1 1 26 26 LYS H H 1 8.507 . . 1 . . . . . . . . 6402 1 233 . 1 1 26 26 LYS CA C 13 52.792 . . 1 . . . . . . . . 6402 1 234 . 1 1 26 26 LYS HA H 1 4.321 . . 1 . . . . . . . . 6402 1 235 . 1 1 26 26 LYS CB C 13 30.922 . . 1 . . . . . . . . 6402 1 236 . 1 1 27 27 GLY H H 1 9.092 . . 1 . . . . . . . . 6402 1 237 . 1 1 27 27 GLY CA C 13 44.497 . . 1 . . . . . . . . 6402 1 238 . 1 1 27 27 GLY HA3 H 1 3.823 . . 2 . . . . . . . . 6402 1 239 . 1 1 28 28 ASN H H 1 8.311 . . 1 . . . . . . . . 6402 1 240 . 1 1 28 28 ASN CA C 13 49.210 . . 1 . . . . . . . . 6402 1 241 . 1 1 28 28 ASN HA H 1 4.534 . . 1 . . . . . . . . 6402 1 242 . 1 1 28 28 ASN CB C 13 35.353 . . 1 . . . . . . . . 6402 1 243 . 1 1 29 29 GLN H H 1 8.028 . . 1 . . . . . . . . 6402 1 244 . 1 1 29 29 GLN CA C 13 52.604 . . 1 . . . . . . . . 6402 1 245 . 1 1 29 29 GLN HA H 1 4.463 . . 1 . . . . . . . . 6402 1 246 . 1 1 29 29 GLN CB C 13 28.565 . . 1 . . . . . . . . 6402 1 247 . 1 1 29 29 GLN HB3 H 1 1.918 . . 2 . . . . . . . . 6402 1 248 . 1 1 30 30 VAL H H 1 8.646 . . 1 . . . . . . . . 6402 1 249 . 1 1 30 30 VAL CA C 13 57.600 . . 1 . . . . . . . . 6402 1 250 . 1 1 30 30 VAL HA H 1 4.623 . . 1 . . . . . . . . 6402 1 251 . 1 1 30 30 VAL CB C 13 31.110 . . 1 . . . . . . . . 6402 1 252 . 1 1 31 31 ARG H H 1 8.852 . . 1 . . . . . . . . 6402 1 253 . 1 1 31 31 ARG CA C 13 52.510 . . 1 . . . . . . . . 6402 1 254 . 1 1 31 31 ARG HA H 1 4.428 . . 1 . . . . . . . . 6402 1 255 . 1 1 31 31 ARG CB C 13 28.471 . . 1 . . . . . . . . 6402 1 256 . 1 1 32 32 ILE H H 1 9.213 . . 1 . . . . . . . . 6402 1 257 . 1 1 32 32 ILE CA C 13 56.783 . . 1 . . . . . . . . 6402 1 258 . 1 1 32 32 ILE HA H 1 4.659 . . 1 . . . . . . . . 6402 1 259 . 1 1 32 32 ILE CB C 13 38.747 . . 1 . . . . . . . . 6402 1 260 . 1 1 32 32 ILE HB H 1 1.431 . . 1 . . . . . . . . 6402 1 261 . 1 1 32 32 ILE CG1 C 13 24.685 . . 2 . . . . . . . . 6402 1 262 . 1 1 32 32 ILE HG13 H 1 1.273 . . 1 . . . . . . . . 6402 1 263 . 1 1 32 32 ILE CD1 C 13 15.049 . . 1 . . . . . . . . 6402 1 264 . 1 1 32 32 ILE HD11 H 1 0.563 . . 1 . . . . . . . . 6402 1 265 . 1 1 32 32 ILE HD12 H 1 0.563 . . 1 . . . . . . . . 6402 1 266 . 1 1 32 32 ILE HD13 H 1 0.563 . . 1 . . . . . . . . 6402 1 267 . 1 1 32 32 ILE CG2 C 13 9.528 . . 1 . . . . . . . . 6402 1 268 . 1 1 32 32 ILE HG21 H 1 0.394 . . 1 . . . . . . . . 6402 1 269 . 1 1 32 32 ILE HG22 H 1 0.394 . . 1 . . . . . . . . 6402 1 270 . 1 1 32 32 ILE HG23 H 1 0.394 . . 1 . . . . . . . . 6402 1 271 . 1 1 33 33 GLY H H 1 9.105 . . 1 . . . . . . . . 6402 1 272 . 1 1 33 33 GLY CA C 13 41.427 . . 1 . . . . . . . . 6402 1 273 . 1 1 33 33 GLY HA3 H 1 3.360 . . 2 . . . . . . . . 6402 1 274 . 1 1 34 34 VAL H H 1 9.441 . . 1 . . . . . . . . 6402 1 275 . 1 1 34 34 VAL CA C 13 57.929 . . 1 . . . . . . . . 6402 1 276 . 1 1 34 34 VAL HA H 1 4.855 . . 1 . . . . . . . . 6402 1 277 . 1 1 34 34 VAL CB C 13 31.488 . . 1 . . . . . . . . 6402 1 278 . 1 1 34 34 VAL HB H 1 1.849 . . 1 . . . . . . . . 6402 1 279 . 1 1 34 34 VAL CG2 C 13 18.222 . . 1 . . . . . . . . 6402 1 280 . 1 1 34 34 VAL HG21 H 1 0.702 . . 2 . . . . . . . . 6402 1 281 . 1 1 34 34 VAL HG22 H 1 0.702 . . 2 . . . . . . . . 6402 1 282 . 1 1 34 34 VAL HG23 H 1 0.702 . . 2 . . . . . . . . 6402 1 283 . 1 1 34 34 VAL CG1 C 13 18.222 . . 1 . . . . . . . . 6402 1 284 . 1 1 34 34 VAL HG11 H 1 0.643 . . 2 . . . . . . . . 6402 1 285 . 1 1 34 34 VAL HG12 H 1 0.643 . . 2 . . . . . . . . 6402 1 286 . 1 1 34 34 VAL HG13 H 1 0.643 . . 2 . . . . . . . . 6402 1 287 . 1 1 35 35 ASN H H 1 8.799 . . 1 . . . . . . . . 6402 1 288 . 1 1 35 35 ASN CA C 13 49.340 . . 1 . . . . . . . . 6402 1 289 . 1 1 35 35 ASN HA H 1 5.153 . . 1 . . . . . . . . 6402 1 290 . 1 1 35 35 ASN CB C 13 37.694 . . 1 . . . . . . . . 6402 1 291 . 1 1 35 35 ASN HB3 H 1 2.755 . . 2 . . . . . . . . 6402 1 292 . 1 1 35 35 ASN HB2 H 1 2.452 . . 2 . . . . . . . . 6402 1 293 . 1 1 36 36 ALA H H 1 8.336 . . 1 . . . . . . . . 6402 1 294 . 1 1 36 36 ALA CA C 13 46.672 . . 1 . . . . . . . . 6402 1 295 . 1 1 36 36 ALA HA H 1 5.015 . . 1 . . . . . . . . 6402 1 296 . 1 1 36 36 ALA CB C 13 17.308 . . 1 . . . . . . . . 6402 1 297 . 1 1 36 36 ALA HB1 H 1 1.131 . . 1 . . . . . . . . 6402 1 298 . 1 1 36 36 ALA HB2 H 1 1.131 . . 1 . . . . . . . . 6402 1 299 . 1 1 36 36 ALA HB3 H 1 1.131 . . 1 . . . . . . . . 6402 1 300 . 1 1 37 37 PRO CA C 13 59.921 . . 1 . . . . . . . . 6402 1 301 . 1 1 37 37 PRO HA H 1 3.720 . . 1 . . . . . . . . 6402 1 302 . 1 1 37 37 PRO CB C 13 28.756 . . 1 . . . . . . . . 6402 1 303 . 1 1 37 37 PRO HB3 H 1 1.787 . . 2 . . . . . . . . 6402 1 304 . 1 1 37 37 PRO CG C 13 24.767 . . 1 . . . . . . . . 6402 1 305 . 1 1 37 37 PRO HG2 H 1 1.857 . . 2 . . . . . . . . 6402 1 306 . 1 1 37 37 PRO CD C 13 47.475 . . 1 . . . . . . . . 6402 1 307 . 1 1 37 37 PRO HD3 H 1 3.204 . . 2 . . . . . . . . 6402 1 308 . 1 1 37 37 PRO HD2 H 1 3.743 . . 2 . . . . . . . . 6402 1 309 . 1 1 38 38 LYS H H 1 8.332 . . 1 . . . . . . . . 6402 1 310 . 1 1 38 38 LYS CA C 13 55.621 . . 1 . . . . . . . . 6402 1 311 . 1 1 38 38 LYS CB C 13 26.303 . . 1 . . . . . . . . 6402 1 312 . 1 1 39 39 GLU H H 1 8.592 . . 1 . . . . . . . . 6402 1 313 . 1 1 39 39 GLU CA C 13 54.678 . . 1 . . . . . . . . 6402 1 314 . 1 1 39 39 GLU HA H 1 4.001 . . 1 . . . . . . . . 6402 1 315 . 1 1 39 39 GLU CB C 13 25.360 . . 1 . . . . . . . . 6402 1 316 . 1 1 40 40 VAL H H 1 7.736 . . 1 . . . . . . . . 6402 1 317 . 1 1 40 40 VAL CA C 13 58.922 . . 1 . . . . . . . . 6402 1 318 . 1 1 40 40 VAL HA H 1 3.958 . . 1 . . . . . . . . 6402 1 319 . 1 1 40 40 VAL CB C 13 29.320 . . 1 . . . . . . . . 6402 1 320 . 1 1 40 40 VAL HB H 1 1.890 . . 1 . . . . . . . . 6402 1 321 . 1 1 40 40 VAL CG2 C 13 18.117 . . 1 . . . . . . . . 6402 1 322 . 1 1 40 40 VAL HG21 H 1 0.726 . . 2 . . . . . . . . 6402 1 323 . 1 1 40 40 VAL HG22 H 1 0.726 . . 2 . . . . . . . . 6402 1 324 . 1 1 40 40 VAL HG23 H 1 0.726 . . 2 . . . . . . . . 6402 1 325 . 1 1 41 41 SER H H 1 8.359 . . 1 . . . . . . . . 6402 1 326 . 1 1 41 41 SER CA C 13 55.263 . . 1 . . . . . . . . 6402 1 327 . 1 1 41 41 SER HA H 1 4.306 . . 1 . . . . . . . . 6402 1 328 . 1 1 41 41 SER CB C 13 61.088 . . 1 . . . . . . . . 6402 1 329 . 1 1 41 41 SER HB3 H 1 3.660 . . 2 . . . . . . . . 6402 1 330 . 1 1 42 42 VAL H H 1 8.156 . . 1 . . . . . . . . 6402 1 331 . 1 1 42 42 VAL CA C 13 58.200 . . 1 . . . . . . . . 6402 1 332 . 1 1 42 42 VAL HA H 1 4.500 . . 1 . . . . . . . . 6402 1 333 . 1 1 42 42 VAL CB C 13 30.134 . . 1 . . . . . . . . 6402 1 334 . 1 1 42 42 VAL HB H 1 1.819 . . 1 . . . . . . . . 6402 1 335 . 1 1 42 42 VAL CG2 C 13 18.122 . . 1 . . . . . . . . 6402 1 336 . 1 1 42 42 VAL HG21 H 1 0.705 . . 2 . . . . . . . . 6402 1 337 . 1 1 42 42 VAL HG22 H 1 0.705 . . 2 . . . . . . . . 6402 1 338 . 1 1 42 42 VAL HG23 H 1 0.705 . . 2 . . . . . . . . 6402 1 339 . 1 1 43 43 HIS H H 1 8.558 . . 1 . . . . . . . . 6402 1 340 . 1 1 43 43 HIS CA C 13 51.096 . . 1 . . . . . . . . 6402 1 341 . 1 1 43 43 HIS CB C 13 28.660 . . 1 . . . . . . . . 6402 1 342 . 1 1 44 44 ARG H H 1 8.977 . . 1 . . . . . . . . 6402 1 343 . 1 1 44 44 ARG CA C 13 54.112 . . 1 . . . . . . . . 6402 1 344 . 1 1 44 44 ARG HA H 1 4.058 . . 1 . . . . . . . . 6402 1 345 . 1 1 44 44 ARG CB C 13 27.517 . . 1 . . . . . . . . 6402 1 346 . 1 1 44 44 ARG HB3 H 1 1.697 . . 2 . . . . . . . . 6402 1 347 . 1 1 44 44 ARG HB2 H 1 1.647 . . 2 . . . . . . . . 6402 1 348 . 1 1 44 44 ARG CG C 13 24.178 . . 1 . . . . . . . . 6402 1 349 . 1 1 44 44 ARG HG3 H 1 1.507 . . 2 . . . . . . . . 6402 1 350 . 1 1 44 44 ARG HG2 H 1 1.437 . . 2 . . . . . . . . 6402 1 351 . 1 1 44 44 ARG CD C 13 40.489 . . 1 . . . . . . . . 6402 1 352 . 1 1 44 44 ARG HD3 H 1 3.044 . . 2 . . . . . . . . 6402 1 353 . 1 1 44 44 ARG HD2 H 1 3.151 . . 2 . . . . . . . . 6402 1 354 . 1 1 45 45 GLU H H 1 8.022 . . 1 . . . . . . . . 6402 1 355 . 1 1 45 45 GLU CA C 13 55.526 . . 1 . . . . . . . . 6402 1 356 . 1 1 45 45 GLU CB C 13 26.397 . . 1 . . . . . . . . 6402 1 357 . 1 1 46 46 GLU H H 1 8.020 . . 1 . . . . . . . . 6402 1 358 . 1 1 46 46 GLU HA H 1 4.099 . . 1 . . . . . . . . 6402 1 359 . 1 1 47 47 ILE H H 1 7.438 . . 1 . . . . . . . . 6402 1 360 . 1 1 47 47 ILE CA C 13 58.637 . . 1 . . . . . . . . 6402 1 361 . 1 1 47 47 ILE HA H 1 4.001 . . 1 . . . . . . . . 6402 1 362 . 1 1 47 47 ILE CB C 13 35.136 . . 1 . . . . . . . . 6402 1 363 . 1 1 47 47 ILE HB H 1 1.779 . . 1 . . . . . . . . 6402 1 364 . 1 1 47 47 ILE CG1 C 13 24.268 . . 2 . . . . . . . . 6402 1 365 . 1 1 47 47 ILE HG13 H 1 1.344 . . 1 . . . . . . . . 6402 1 366 . 1 1 47 47 ILE HG12 H 1 1.215 . . 1 . . . . . . . . 6402 1 367 . 1 1 47 47 ILE CD1 C 13 9.590 . . 1 . . . . . . . . 6402 1 368 . 1 1 47 47 ILE HD11 H 1 0.665 . . 1 . . . . . . . . 6402 1 369 . 1 1 47 47 ILE HD12 H 1 0.665 . . 1 . . . . . . . . 6402 1 370 . 1 1 47 47 ILE HD13 H 1 0.665 . . 1 . . . . . . . . 6402 1 371 . 1 1 47 47 ILE CG2 C 13 14.356 . . 1 . . . . . . . . 6402 1 372 . 1 1 47 47 ILE HG21 H 1 0.726 . . 1 . . . . . . . . 6402 1 373 . 1 1 47 47 ILE HG22 H 1 0.726 . . 1 . . . . . . . . 6402 1 374 . 1 1 47 47 ILE HG23 H 1 0.726 . . 1 . . . . . . . . 6402 1 375 . 1 1 48 48 TYR H H 1 7.846 . . 1 . . . . . . . . 6402 1 376 . 1 1 48 48 TYR CA C 13 56.280 . . 1 . . . . . . . . 6402 1 377 . 1 1 48 48 TYR HA H 1 4.208 . . 1 . . . . . . . . 6402 1 378 . 1 1 48 48 TYR CB C 13 36.013 . . 1 . . . . . . . . 6402 1 379 . 1 1 48 48 TYR HB3 H 1 2.879 . . 2 . . . . . . . . 6402 1 380 . 1 1 48 48 TYR HB2 H 1 2.755 . . 2 . . . . . . . . 6402 1 381 . 1 1 49 49 GLN H H 1 8.089 . . 1 . . . . . . . . 6402 1 382 . 1 1 49 49 GLN CA C 13 53.547 . . 1 . . . . . . . . 6402 1 383 . 1 1 49 49 GLN HA H 1 4.054 . . 1 . . . . . . . . 6402 1 384 . 1 1 49 49 GLN CB C 13 26.209 . . 1 . . . . . . . . 6402 1 385 . 1 1 50 50 ARG H H 1 7.780 . . 1 . . . . . . . . 6402 1 386 . 1 1 50 50 ARG CA C 13 54.018 . . 1 . . . . . . . . 6402 1 387 . 1 1 50 50 ARG HA H 1 4.036 . . 1 . . . . . . . . 6402 1 388 . 1 1 50 50 ARG CB C 13 27.434 . . 1 . . . . . . . . 6402 1 389 . 1 1 51 51 ILE H H 1 7.902 . . 1 . . . . . . . . 6402 1 390 . 1 1 51 51 ILE CA C 13 58.917 . . 1 . . . . . . . . 6402 1 391 . 1 1 51 51 ILE HA H 1 3.890 . . 1 . . . . . . . . 6402 1 392 . 1 1 51 51 ILE CB C 13 35.447 . . 1 . . . . . . . . 6402 1 393 . 1 1 51 51 ILE HB H 1 1.678 . . 1 . . . . . . . . 6402 1 394 . 1 1 51 51 ILE CG1 C 13 24.629 . . 2 . . . . . . . . 6402 1 395 . 1 1 51 51 ILE HG13 H 1 1.352 . . 1 . . . . . . . . 6402 1 396 . 1 1 51 51 ILE CD1 C 13 9.582 . . 1 . . . . . . . . 6402 1 397 . 1 1 51 51 ILE HD11 H 1 0.610 . . 1 . . . . . . . . 6402 1 398 . 1 1 51 51 ILE HD12 H 1 0.610 . . 1 . . . . . . . . 6402 1 399 . 1 1 51 51 ILE HD13 H 1 0.610 . . 1 . . . . . . . . 6402 1 400 . 1 1 51 51 ILE CG2 C 13 14.337 . . 1 . . . . . . . . 6402 1 401 . 1 1 51 51 ILE HG21 H 1 0.701 . . 1 . . . . . . . . 6402 1 402 . 1 1 51 51 ILE HG22 H 1 0.701 . . 1 . . . . . . . . 6402 1 403 . 1 1 51 51 ILE HG23 H 1 0.701 . . 1 . . . . . . . . 6402 1 404 . 1 1 52 52 GLN H H 1 8.107 . . 1 . . . . . . . . 6402 1 405 . 1 1 52 52 GLN CA C 13 53.358 . . 1 . . . . . . . . 6402 1 406 . 1 1 52 52 GLN HA H 1 4.036 . . 1 . . . . . . . . 6402 1 407 . 1 1 52 52 GLN CB C 13 26.020 . . 1 . . . . . . . . 6402 1 408 . 1 1 53 53 ALA H H 1 8.001 . . 1 . . . . . . . . 6402 1 409 . 1 1 53 53 ALA CA C 13 50.098 . . 1 . . . . . . . . 6402 1 410 . 1 1 53 53 ALA HA H 1 4.121 . . 1 . . . . . . . . 6402 1 411 . 1 1 53 53 ALA CB C 13 15.933 . . 1 . . . . . . . . 6402 1 412 . 1 1 53 53 ALA HB1 H 1 1.242 . . 1 . . . . . . . . 6402 1 413 . 1 1 53 53 ALA HB2 H 1 1.242 . . 1 . . . . . . . . 6402 1 414 . 1 1 53 53 ALA HB3 H 1 1.242 . . 1 . . . . . . . . 6402 1 415 . 1 1 54 54 GLU H H 1 8.067 . . 1 . . . . . . . . 6402 1 416 . 1 1 54 54 GLU CA C 13 53.924 . . 1 . . . . . . . . 6402 1 417 . 1 1 54 54 GLU HA H 1 4.090 . . 1 . . . . . . . . 6402 1 418 . 1 1 54 54 GLU CB C 13 26.492 . . 1 . . . . . . . . 6402 1 419 . 1 1 55 55 LYS H H 1 8.068 . . 1 . . . . . . . . 6402 1 420 . 1 1 55 55 LYS CA C 13 53.829 . . 1 . . . . . . . . 6402 1 421 . 1 1 55 55 LYS HA H 1 4.125 . . 1 . . . . . . . . 6402 1 422 . 1 1 55 55 LYS CB C 13 29.602 . . 1 . . . . . . . . 6402 1 423 . 1 1 56 56 SER CA C 13 55.715 . . 1 . . . . . . . . 6402 1 424 . 1 1 56 56 SER CB C 13 60.711 . . 1 . . . . . . . . 6402 1 425 . 1 1 57 57 GLN CA C 13 53.170 . . 1 . . . . . . . . 6402 1 426 . 1 1 57 57 GLN CB C 13 26.114 . . 1 . . . . . . . . 6402 1 427 . 1 1 58 58 GLN H H 1 8.156 . . 1 . . . . . . . . 6402 1 428 . 1 1 58 58 GLN CA C 13 53.075 . . 1 . . . . . . . . 6402 1 429 . 1 1 58 58 GLN HA H 1 4.196 . . 1 . . . . . . . . 6402 1 430 . 1 1 58 58 GLN CB C 13 26.114 . . 1 . . . . . . . . 6402 1 431 . 1 1 59 59 SER H H 1 8.166 . . 1 . . . . . . . . 6402 1 432 . 1 1 59 59 SER CA C 13 55.243 . . 1 . . . . . . . . 6402 1 433 . 1 1 59 59 SER HA H 1 4.214 . . 1 . . . . . . . . 6402 1 434 . 1 1 59 59 SER CB C 13 61.031 . . 1 . . . . . . . . 6402 1 435 . 1 1 59 59 SER HB3 H 1 3.661 . . 2 . . . . . . . . 6402 1 436 . 1 1 59 59 SER HB2 H 1 3.590 . . 2 . . . . . . . . 6402 1 437 . 1 1 60 60 SER H H 1 8.166 . . 1 . . . . . . . . 6402 1 438 . 1 1 60 60 SER CA C 13 55.402 . . 1 . . . . . . . . 6402 1 439 . 1 1 60 60 SER HA H 1 4.281 . . 1 . . . . . . . . 6402 1 440 . 1 1 60 60 SER CB C 13 60.994 . . 1 . . . . . . . . 6402 1 441 . 1 1 60 60 SER HB3 H 1 3.754 . . 2 . . . . . . . . 6402 1 442 . 1 1 61 61 TYR H H 1 7.616 . . 1 . . . . . . . . 6402 1 443 . 1 1 61 61 TYR CA C 13 56.280 . . 1 . . . . . . . . 6402 1 444 . 1 1 61 61 TYR HA H 1 4.285 . . 1 . . . . . . . . 6402 1 445 . 1 1 61 61 TYR CB C 13 36.390 . . 1 . . . . . . . . 6402 1 stop_ save_