data_17675 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17675 _Entry.Title ; Backbone 1H,15N,13C and 13CB chemical shifts of folded state and denatured state for the N-terminal domain of ribosomal protein L9 (NTL9) V3AI4A double mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-30 _Entry.Accession_date 2011-05-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; A double mutant V3AI4A of the N-terminal domain of ribosomal protein L9 (NTL9), makes the protein partially unfolded. And the folded state and denatured state are in slow exchange on the NMR time scale ; _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 Wenli Meng . . . 17675 2 Daniel Raleigh . P. . 17675 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 17675 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 17675 '15N chemical shifts' 105 17675 '1H chemical shifts' 210 17675 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-14 2011-05-30 update BMRB 'update entry citation' 17675 1 . . 2011-10-12 2011-05-30 original author 'original release' 17675 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 17675 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21915914 _Citation.Full_citation . _Citation.Title 'Analysis of electrostatic interactions in the denatured state ensemble of the N-terminal domain of L9 under native conditions.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _Citation.Journal_issue 12 _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 3500 _Citation.Page_last 3510 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wenli Meng . . . 17675 1 2 Daniel Raleigh . P. . 17675 1 stop_ save_ save_citation2 _Citation.Sf_category citations _Citation.Sf_framecode citation2 _Citation.Entry_ID 17675 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural analysis of the denatured state ensemble of the N-terminal Domain of L9 under native conditions' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Wenli Meng . . . 17675 2 2 Daniel Raleigh . P. . 17675 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17675 _Assembly.ID 1 _Assembly.Name 'NTL9 V3AI4A double mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'folded state' 1 $NTL9_V3AI4A A . yes native no yes . . . 17675 1 2 'denatured state' 1 $NTL9_V3AI4A A . yes denatured no yes . . . 17675 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NTL9_V3AI4A _Entity.Sf_category entity _Entity.Sf_framecode NTL9_V3AI4A _Entity.Entry_ID 17675 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NTL9_V3AI4A _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 ; MKAAFLKDVKGKGKKGEIKN VADGYANNFLFKQGLAIEAT PANLKALEAQKQKEQR ; _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 56 _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 BMRB 18918 . NTL9_V3AI4A_double_mutant . . . . . 100.00 56 100.00 100.00 3.80e-29 . . . . 17675 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 . 17675 1 2 . LYS . 17675 1 3 . ALA . 17675 1 4 . ALA . 17675 1 5 . PHE . 17675 1 6 . LEU . 17675 1 7 . LYS . 17675 1 8 . ASP . 17675 1 9 . VAL . 17675 1 10 . LYS . 17675 1 11 . GLY . 17675 1 12 . LYS . 17675 1 13 . GLY . 17675 1 14 . LYS . 17675 1 15 . LYS . 17675 1 16 . GLY . 17675 1 17 . GLU . 17675 1 18 . ILE . 17675 1 19 . LYS . 17675 1 20 . ASN . 17675 1 21 . VAL . 17675 1 22 . ALA . 17675 1 23 . ASP . 17675 1 24 . GLY . 17675 1 25 . TYR . 17675 1 26 . ALA . 17675 1 27 . ASN . 17675 1 28 . ASN . 17675 1 29 . PHE . 17675 1 30 . LEU . 17675 1 31 . PHE . 17675 1 32 . LYS . 17675 1 33 . GLN . 17675 1 34 . GLY . 17675 1 35 . LEU . 17675 1 36 . ALA . 17675 1 37 . ILE . 17675 1 38 . GLU . 17675 1 39 . ALA . 17675 1 40 . THR . 17675 1 41 . PRO . 17675 1 42 . ALA . 17675 1 43 . ASN . 17675 1 44 . LEU . 17675 1 45 . LYS . 17675 1 46 . ALA . 17675 1 47 . LEU . 17675 1 48 . GLU . 17675 1 49 . ALA . 17675 1 50 . GLN . 17675 1 51 . LYS . 17675 1 52 . GLN . 17675 1 53 . LYS . 17675 1 54 . GLU . 17675 1 55 . GLN . 17675 1 56 . ARG . 17675 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 17675 1 . LYS 2 2 17675 1 . ALA 3 3 17675 1 . ALA 4 4 17675 1 . PHE 5 5 17675 1 . LEU 6 6 17675 1 . LYS 7 7 17675 1 . ASP 8 8 17675 1 . VAL 9 9 17675 1 . LYS 10 10 17675 1 . GLY 11 11 17675 1 . LYS 12 12 17675 1 . GLY 13 13 17675 1 . LYS 14 14 17675 1 . LYS 15 15 17675 1 . GLY 16 16 17675 1 . GLU 17 17 17675 1 . ILE 18 18 17675 1 . LYS 19 19 17675 1 . ASN 20 20 17675 1 . VAL 21 21 17675 1 . ALA 22 22 17675 1 . ASP 23 23 17675 1 . GLY 24 24 17675 1 . TYR 25 25 17675 1 . ALA 26 26 17675 1 . ASN 27 27 17675 1 . ASN 28 28 17675 1 . PHE 29 29 17675 1 . LEU 30 30 17675 1 . PHE 31 31 17675 1 . LYS 32 32 17675 1 . GLN 33 33 17675 1 . GLY 34 34 17675 1 . LEU 35 35 17675 1 . ALA 36 36 17675 1 . ILE 37 37 17675 1 . GLU 38 38 17675 1 . ALA 39 39 17675 1 . THR 40 40 17675 1 . PRO 41 41 17675 1 . ALA 42 42 17675 1 . ASN 43 43 17675 1 . LEU 44 44 17675 1 . LYS 45 45 17675 1 . ALA 46 46 17675 1 . LEU 47 47 17675 1 . GLU 48 48 17675 1 . ALA 49 49 17675 1 . GLN 50 50 17675 1 . LYS 51 51 17675 1 . GLN 52 52 17675 1 . LYS 53 53 17675 1 . GLU 54 54 17675 1 . GLN 55 55 17675 1 . ARG 56 56 17675 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 17675 _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 $NTL9_V3AI4A . 1422 organism . 'Geobacillus stearothermophilus' 'Geobacillus stearothermophilus' . . Bacteria . Geobacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 17675 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 17675 _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 $NTL9_V3AI4A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET3a . . . . . . 17675 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 17675 _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 NTL9_V3AI4A '[U-99% 15N]' . . 1 $NTL9_V3AI4A . . 0.5 . . mM . . . . 17675 1 2 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 17675 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17675 1 4 'sodium acetate' '[U-99% 2H]' . . . . . . 20 . . mM . . . . 17675 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17675 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17675 1 stop_ save_ save_13C15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C15N_sample _Sample.Entry_ID 17675 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NTL9_V3AI4A '[U-99% 13C; U-99% 15N]' . . 1 $NTL9_V3AI4A . . 0.5 . . mM . . . . 17675 2 2 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 17675 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17675 2 4 'sodium acetate' '[U-99% 2H]' . . . . . . 20 . . mM . . . . 17675 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17675 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17675 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17675 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 17675 1 pH 5.5 . pH 17675 1 pressure 1 . atm 17675 1 temperature 285 . K 17675 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17675 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17675 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17675 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17675 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17675 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17675 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17675 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17675 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17675 3 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 17675 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17675 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17675 _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 . . . 17675 1 2 spectrometer_2 Bruker Avance . 800 . . . 17675 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 17675 _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 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17675 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17675 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17675 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C15N_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17675 1 5 '3D HNCACB' no . . . . . . . . . . 2 $13C15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17675 1 6 '3D HNCACB' no . . . . . . . . . . 2 $13C15N_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17675 1 7 '3D HNCO' no . . . . . . . . . . 2 $13C15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17675 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17675 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 17675 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17675 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17675 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17675 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_folded_state_assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode folded_state_assignment _Assigned_chem_shift_list.Entry_ID 17675 _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' . . . 17675 1 3 '3D CBCA(CO)NH' . . . 17675 1 5 '3D HNCACB' . . . 17675 1 7 '3D HNCO' . . . 17675 1 8 '3D 1H-15N TOCSY' . . . 17675 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 54.46 0.20 . 1 . . . . 1 MET CA . 17675 1 2 . 1 1 1 1 MET CB C 13 32.96 0.20 . 1 . . . . 1 MET CB . 17675 1 3 . 1 1 2 2 LYS H H 1 9.22 0.02 . 1 . . . . 2 LYS H . 17675 1 4 . 1 1 2 2 LYS HA H 1 4.77 0.02 . 1 . . . . 2 LYS HA . 17675 1 5 . 1 1 2 2 LYS C C 13 174.66 0.20 . 1 . . . . 2 LYS C . 17675 1 6 . 1 1 2 2 LYS CA C 13 56.51 0.20 . 1 . . . . 2 LYS CA . 17675 1 7 . 1 1 2 2 LYS CB C 13 32.97 0.20 . 1 . . . . 2 LYS CB . 17675 1 8 . 1 1 2 2 LYS N N 15 127.72 0.20 . 1 . . . . 2 LYS N . 17675 1 9 . 1 1 3 3 ALA H H 1 9.24 0.02 . 1 . . . . 3 ALA H . 17675 1 10 . 1 1 3 3 ALA HA H 1 5.01 0.02 . 1 . . . . 3 ALA HA . 17675 1 11 . 1 1 3 3 ALA C C 13 173.89 0.20 . 1 . . . . 3 ALA C . 17675 1 12 . 1 1 3 3 ALA CA C 13 50.53 0.20 . 1 . . . . 3 ALA CA . 17675 1 13 . 1 1 3 3 ALA CB C 13 22.50 0.20 . 1 . . . . 3 ALA CB . 17675 1 14 . 1 1 3 3 ALA N N 15 129.67 0.20 . 1 . . . . 3 ALA N . 17675 1 15 . 1 1 4 4 ALA H H 1 9.10 0.02 . 1 . . . . 4 ALA H . 17675 1 16 . 1 1 4 4 ALA HA H 1 5.34 0.02 . 1 . . . . 4 ALA HA . 17675 1 17 . 1 1 4 4 ALA C C 13 177.39 0.20 . 1 . . . . 4 ALA C . 17675 1 18 . 1 1 4 4 ALA CA C 13 49.73 0.20 . 1 . . . . 4 ALA CA . 17675 1 19 . 1 1 4 4 ALA CB C 13 19.39 0.20 . 1 . . . . 4 ALA CB . 17675 1 20 . 1 1 4 4 ALA N N 15 123.68 0.20 . 1 . . . . 4 ALA N . 17675 1 21 . 1 1 5 5 PHE H H 1 9.06 0.02 . 1 . . . . 5 PHE H . 17675 1 22 . 1 1 5 5 PHE HA H 1 4.28 0.02 . 1 . . . . 5 PHE HA . 17675 1 23 . 1 1 5 5 PHE C C 13 177.77 0.20 . 1 . . . . 5 PHE C . 17675 1 24 . 1 1 5 5 PHE CA C 13 60.51 0.20 . 1 . . . . 5 PHE CA . 17675 1 25 . 1 1 5 5 PHE CB C 13 38.85 0.20 . 1 . . . . 5 PHE CB . 17675 1 26 . 1 1 5 5 PHE N N 15 122.37 0.20 . 1 . . . . 5 PHE N . 17675 1 27 . 1 1 6 6 LEU H H 1 9.25 0.02 . 1 . . . . 6 LEU H . 17675 1 28 . 1 1 6 6 LEU HA H 1 4.38 0.02 . 1 . . . . 6 LEU HA . 17675 1 29 . 1 1 6 6 LEU C C 13 176.22 0.20 . 1 . . . . 6 LEU C . 17675 1 30 . 1 1 6 6 LEU CA C 13 55.11 0.20 . 1 . . . . 6 LEU CA . 17675 1 31 . 1 1 6 6 LEU CB C 13 42.53 0.20 . 1 . . . . 6 LEU CB . 17675 1 32 . 1 1 6 6 LEU N N 15 126.32 0.20 . 1 . . . . 6 LEU N . 17675 1 33 . 1 1 7 7 LYS H H 1 7.85 0.02 . 1 . . . . 7 LYS H . 17675 1 34 . 1 1 7 7 LYS HA H 1 4.41 0.02 . 1 . . . . 7 LYS HA . 17675 1 35 . 1 1 7 7 LYS C C 13 173.66 0.20 . 1 . . . . 7 LYS C . 17675 1 36 . 1 1 7 7 LYS CA C 13 53.91 0.20 . 1 . . . . 7 LYS CA . 17675 1 37 . 1 1 7 7 LYS CB C 13 37.28 0.20 . 1 . . . . 7 LYS CB . 17675 1 38 . 1 1 7 7 LYS N N 15 117.05 0.20 . 1 . . . . 7 LYS N . 17675 1 39 . 1 1 8 8 ASP H H 1 8.46 0.02 . 1 . . . . 8 ASP H . 17675 1 40 . 1 1 8 8 ASP HA H 1 4.62 0.02 . 1 . . . . 8 ASP HA . 17675 1 41 . 1 1 8 8 ASP C C 13 176.88 0.20 . 1 . . . . 8 ASP C . 17675 1 42 . 1 1 8 8 ASP CA C 13 55.55 0.20 . 1 . . . . 8 ASP CA . 17675 1 43 . 1 1 8 8 ASP CB C 13 40.75 0.20 . 1 . . . . 8 ASP CB . 17675 1 44 . 1 1 8 8 ASP N N 15 118.31 0.20 . 1 . . . . 8 ASP N . 17675 1 45 . 1 1 9 9 VAL H H 1 8.85 0.02 . 1 . . . . 9 VAL H . 17675 1 46 . 1 1 9 9 VAL HA H 1 4.23 0.02 . 1 . . . . 9 VAL HA . 17675 1 47 . 1 1 9 9 VAL C C 13 175.83 0.20 . 1 . . . . 9 VAL C . 17675 1 48 . 1 1 9 9 VAL CA C 13 61.80 0.20 . 1 . . . . 9 VAL CA . 17675 1 49 . 1 1 9 9 VAL CB C 13 34.31 0.20 . 1 . . . . 9 VAL CB . 17675 1 50 . 1 1 9 9 VAL N N 15 123.51 0.20 . 1 . . . . 9 VAL N . 17675 1 51 . 1 1 10 10 LYS H H 1 8.94 0.02 . 1 . . . . 10 LYS H . 17675 1 52 . 1 1 10 10 LYS HA H 1 4.03 0.02 . 1 . . . . 10 LYS HA . 17675 1 53 . 1 1 10 10 LYS C C 13 177.78 0.20 . 1 . . . . 10 LYS C . 17675 1 54 . 1 1 10 10 LYS CA C 13 59.03 0.20 . 1 . . . . 10 LYS CA . 17675 1 55 . 1 1 10 10 LYS CB C 13 32.21 0.20 . 1 . . . . 10 LYS CB . 17675 1 56 . 1 1 10 10 LYS N N 15 131.01 0.20 . 1 . . . . 10 LYS N . 17675 1 57 . 1 1 11 11 GLY H H 1 8.96 0.02 . 1 . . . . 11 GLY H . 17675 1 58 . 1 1 11 11 GLY HA2 H 1 3.72 0.02 . . . . . . 11 GLY HA2 . 17675 1 59 . 1 1 11 11 GLY C C 13 173.88 0.20 . 1 . . . . 11 GLY C . 17675 1 60 . 1 1 11 11 GLY CA C 13 45.49 0.20 . 1 . . . . 11 GLY CA . 17675 1 61 . 1 1 11 11 GLY N N 15 115.10 0.20 . 1 . . . . 11 GLY N . 17675 1 62 . 1 1 12 12 LYS H H 1 8.31 0.02 . 1 . . . . 12 LYS H . 17675 1 63 . 1 1 12 12 LYS HA H 1 4.69 0.02 . 1 . . . . 12 LYS HA . 17675 1 64 . 1 1 12 12 LYS C C 13 175.79 0.20 . 1 . . . . 12 LYS C . 17675 1 65 . 1 1 12 12 LYS CA C 13 55.63 0.20 . 1 . . . . 12 LYS CA . 17675 1 66 . 1 1 12 12 LYS N N 15 118.69 0.20 . 1 . . . . 12 LYS N . 17675 1 67 . 1 1 13 13 GLY H H 1 8.01 0.02 . 1 . . . . 13 GLY H . 17675 1 68 . 1 1 13 13 GLY HA2 H 1 3.66 0.02 . . . . . . 13 GLY HA2 . 17675 1 69 . 1 1 13 13 GLY C C 13 170.74 0.20 . 1 . . . . 13 GLY C . 17675 1 70 . 1 1 13 13 GLY CA C 13 45.37 0.20 . 1 . . . . 13 GLY CA . 17675 1 71 . 1 1 13 13 GLY N N 15 105.95 0.20 . 1 . . . . 13 GLY N . 17675 1 72 . 1 1 14 14 LYS H H 1 8.50 0.02 . 1 . . . . 14 LYS H . 17675 1 73 . 1 1 14 14 LYS HA H 1 4.66 0.02 . 1 . . . . 14 LYS HA . 17675 1 74 . 1 1 14 14 LYS C C 13 175.43 0.20 . 1 . . . . 14 LYS C . 17675 1 75 . 1 1 14 14 LYS CA C 13 53.74 0.20 . 1 . . . . 14 LYS CA . 17675 1 76 . 1 1 14 14 LYS CB C 13 34.61 0.20 . 1 . . . . 14 LYS CB . 17675 1 77 . 1 1 14 14 LYS N N 15 121.89 0.20 . 1 . . . . 14 LYS N . 17675 1 78 . 1 1 15 15 LYS H H 1 8.96 0.02 . 1 . . . . 15 LYS H . 17675 1 79 . 1 1 15 15 LYS HA H 1 3.37 0.02 . 1 . . . . 15 LYS HA . 17675 1 80 . 1 1 15 15 LYS C C 13 177.40 0.20 . 1 . . . . 15 LYS C . 17675 1 81 . 1 1 15 15 LYS CA C 13 58.92 0.20 . 1 . . . . 15 LYS CA . 17675 1 82 . 1 1 15 15 LYS CB C 13 32.74 0.20 . 1 . . . . 15 LYS CB . 17675 1 83 . 1 1 15 15 LYS N N 15 120.76 0.20 . 1 . . . . 15 LYS N . 17675 1 84 . 1 1 16 16 GLY H H 1 8.72 0.02 . 1 . . . . 16 GLY H . 17675 1 85 . 1 1 16 16 GLY HA2 H 1 3.66 0.02 . . . . . . 16 GLY HA2 . 17675 1 86 . 1 1 16 16 GLY C C 13 174.63 0.20 . 1 . . . . 16 GLY C . 17675 1 87 . 1 1 16 16 GLY CA C 13 45.22 0.20 . 1 . . . . 16 GLY CA . 17675 1 88 . 1 1 16 16 GLY N N 15 115.48 0.20 . 1 . . . . 16 GLY N . 17675 1 89 . 1 1 17 17 GLU H H 1 8.52 0.02 . 1 . . . . 17 GLU H . 17675 1 90 . 1 1 17 17 GLU HA H 1 4.32 0.02 . 1 . . . . 17 GLU HA . 17675 1 91 . 1 1 17 17 GLU C C 13 175.58 0.20 . 1 . . . . 17 GLU C . 17675 1 92 . 1 1 17 17 GLU CA C 13 57.17 0.20 . 1 . . . . 17 GLU CA . 17675 1 93 . 1 1 17 17 GLU CB C 13 31.61 0.20 . 1 . . . . 17 GLU CB . 17675 1 94 . 1 1 17 17 GLU N N 15 121.11 0.20 . 1 . . . . 17 GLU N . 17675 1 95 . 1 1 18 18 ILE H H 1 8.42 0.02 . 1 . . . . 18 ILE H . 17675 1 96 . 1 1 18 18 ILE HA H 1 5.41 0.02 . 1 . . . . 18 ILE HA . 17675 1 97 . 1 1 18 18 ILE C C 13 176.88 0.20 . 1 . . . . 18 ILE C . 17675 1 98 . 1 1 18 18 ILE CA C 13 60.26 0.20 . 1 . . . . 18 ILE CA . 17675 1 99 . 1 1 18 18 ILE CB C 13 39.27 0.20 . 1 . . . . 18 ILE CB . 17675 1 100 . 1 1 18 18 ILE N N 15 122.13 0.20 . 1 . . . . 18 ILE N . 17675 1 101 . 1 1 19 19 LYS H H 1 9.09 0.02 . 1 . . . . 19 LYS H . 17675 1 102 . 1 1 19 19 LYS HA H 1 4.93 0.02 . 1 . . . . 19 LYS HA . 17675 1 103 . 1 1 19 19 LYS C C 13 174.98 0.20 . 1 . . . . 19 LYS C . 17675 1 104 . 1 1 19 19 LYS CA C 13 54.06 0.20 . 1 . . . . 19 LYS CA . 17675 1 105 . 1 1 19 19 LYS CB C 13 36.61 0.20 . 1 . . . . 19 LYS CB . 17675 1 106 . 1 1 19 19 LYS N N 15 124.31 0.20 . 1 . . . . 19 LYS N . 17675 1 107 . 1 1 20 20 ASN H H 1 8.88 0.02 . 1 . . . . 20 ASN H . 17675 1 108 . 1 1 20 20 ASN HA H 1 5.28 0.02 . 1 . . . . 20 ASN HA . 17675 1 109 . 1 1 20 20 ASN C C 13 175.41 0.20 . 1 . . . . 20 ASN C . 17675 1 110 . 1 1 20 20 ASN CA C 13 53.69 0.20 . 1 . . . . 20 ASN CA . 17675 1 111 . 1 1 20 20 ASN CB C 13 39.10 0.20 . 1 . . . . 20 ASN CB . 17675 1 112 . 1 1 20 20 ASN N N 15 120.60 0.20 . 1 . . . . 20 ASN N . 17675 1 113 . 1 1 21 21 VAL H H 1 8.96 0.02 . 1 . . . . 21 VAL H . 17675 1 114 . 1 1 21 21 VAL HA H 1 4.69 0.02 . 1 . . . . 21 VAL HA . 17675 1 115 . 1 1 21 21 VAL C C 13 174.27 0.20 . 1 . . . . 21 VAL C . 17675 1 116 . 1 1 21 21 VAL CA C 13 58.82 0.20 . 1 . . . . 21 VAL CA . 17675 1 117 . 1 1 21 21 VAL CB C 13 35.97 0.20 . 1 . . . . 21 VAL CB . 17675 1 118 . 1 1 21 21 VAL N N 15 119.55 0.20 . 1 . . . . 21 VAL N . 17675 1 119 . 1 1 22 22 ALA H H 1 8.73 0.02 . 1 . . . . 22 ALA H . 17675 1 120 . 1 1 22 22 ALA HA H 1 4.33 0.02 . 1 . . . . 22 ALA HA . 17675 1 121 . 1 1 22 22 ALA C C 13 178.96 0.20 . 1 . . . . 22 ALA C . 17675 1 122 . 1 1 22 22 ALA CA C 13 52.96 0.20 . 1 . . . . 22 ALA CA . 17675 1 123 . 1 1 22 22 ALA CB C 13 19.07 0.20 . 1 . . . . 22 ALA CB . 17675 1 124 . 1 1 22 22 ALA N N 15 126.55 0.20 . 1 . . . . 22 ALA N . 17675 1 125 . 1 1 23 23 ASP H H 1 8.70 0.02 . 1 . . . . 23 ASP H . 17675 1 126 . 1 1 23 23 ASP HA H 1 4.07 0.02 . 1 . . . . 23 ASP HA . 17675 1 127 . 1 1 23 23 ASP C C 13 178.00 0.20 . 1 . . . . 23 ASP C . 17675 1 128 . 1 1 23 23 ASP CA C 13 58.18 0.20 . 1 . . . . 23 ASP CA . 17675 1 129 . 1 1 23 23 ASP CB C 13 40.35 0.20 . 1 . . . . 23 ASP CB . 17675 1 130 . 1 1 23 23 ASP N N 15 122.69 0.20 . 1 . . . . 23 ASP N . 17675 1 131 . 1 1 24 24 GLY H H 1 8.88 0.02 . 1 . . . . 24 GLY H . 17675 1 132 . 1 1 24 24 GLY HA2 H 1 3.97 0.02 . . . . . . 24 GLY HA2 . 17675 1 133 . 1 1 24 24 GLY C C 13 175.76 0.20 . 1 . . . . 24 GLY C . 17675 1 134 . 1 1 24 24 GLY CA C 13 47.34 0.20 . 1 . . . . 24 GLY CA . 17675 1 135 . 1 1 24 24 GLY N N 15 106.72 0.20 . 1 . . . . 24 GLY N . 17675 1 136 . 1 1 25 25 TYR H H 1 7.16 0.02 . 1 . . . . 25 TYR H . 17675 1 137 . 1 1 25 25 TYR HA H 1 4.48 0.02 . 1 . . . . 25 TYR HA . 17675 1 138 . 1 1 25 25 TYR C C 13 178.36 0.20 . 1 . . . . 25 TYR C . 17675 1 139 . 1 1 25 25 TYR CA C 13 60.28 0.20 . 1 . . . . 25 TYR CA . 17675 1 140 . 1 1 25 25 TYR CB C 13 38.88 0.20 . 1 . . . . 25 TYR CB . 17675 1 141 . 1 1 25 25 TYR N N 15 122.37 0.20 . 1 . . . . 25 TYR N . 17675 1 142 . 1 1 26 26 ALA C C 13 177.78 0.20 . 1 . . . . 26 ALA C . 17675 1 143 . 1 1 26 26 ALA CA C 13 55.07 0.20 . 1 . . . . 26 ALA CA . 17675 1 144 . 1 1 26 26 ALA CB C 13 18.22 0.20 . 1 . . . . 26 ALA CB . 17675 1 145 . 1 1 27 27 ASN H H 1 8.31 0.02 . 1 . . . . 27 ASN H . 17675 1 146 . 1 1 27 27 ASN HA H 1 4.34 0.02 . 1 . . . . 27 ASN HA . 17675 1 147 . 1 1 27 27 ASN C C 13 177.48 0.20 . 1 . . . . 27 ASN C . 17675 1 148 . 1 1 27 27 ASN CA C 13 56.26 0.20 . 1 . . . . 27 ASN CA . 17675 1 149 . 1 1 27 27 ASN CB C 13 38.87 0.20 . 1 . . . . 27 ASN CB . 17675 1 150 . 1 1 27 27 ASN N N 15 112.83 0.20 . 1 . . . . 27 ASN N . 17675 1 151 . 1 1 28 28 ASN H H 1 8.27 0.02 . 1 . . . . 28 ASN H . 17675 1 152 . 1 1 28 28 ASN HA H 1 4.67 0.02 . 1 . . . . 28 ASN HA . 17675 1 153 . 1 1 28 28 ASN C C 13 175.62 0.20 . 1 . . . . 28 ASN C . 17675 1 154 . 1 1 28 28 ASN CA C 13 54.67 0.20 . 1 . . . . 28 ASN CA . 17675 1 155 . 1 1 28 28 ASN CB C 13 39.00 0.20 . 1 . . . . 28 ASN CB . 17675 1 156 . 1 1 28 28 ASN N N 15 113.51 0.20 . 1 . . . . 28 ASN N . 17675 1 157 . 1 1 29 29 PHE H H 1 7.68 0.02 . 1 . . . . 29 PHE H . 17675 1 158 . 1 1 29 29 PHE HA H 1 4.64 0.02 . 1 . . . . 29 PHE HA . 17675 1 159 . 1 1 29 29 PHE C C 13 175.14 0.20 . 1 . . . . 29 PHE C . 17675 1 160 . 1 1 29 29 PHE CA C 13 60.24 0.20 . 1 . . . . 29 PHE CA . 17675 1 161 . 1 1 29 29 PHE CB C 13 40.55 0.20 . 1 . . . . 29 PHE CB . 17675 1 162 . 1 1 29 29 PHE N N 15 117.82 0.20 . 1 . . . . 29 PHE N . 17675 1 163 . 1 1 30 30 LEU H H 1 7.44 0.02 . 1 . . . . 30 LEU H . 17675 1 164 . 1 1 30 30 LEU HA H 1 3.83 0.02 . 1 . . . . 30 LEU HA . 17675 1 165 . 1 1 30 30 LEU CA C 13 58.22 0.20 . 1 . . . . 30 LEU CA . 17675 1 166 . 1 1 30 30 LEU CB C 13 42.94 0.20 . 1 . . . . 30 LEU CB . 17675 1 167 . 1 1 30 30 LEU N N 15 116.74 0.20 . 1 . . . . 30 LEU N . 17675 1 168 . 1 1 31 31 PHE C C 13 180.17 0.20 . 1 . . . . 31 PHE C . 17675 1 169 . 1 1 31 31 PHE CA C 13 56.28 0.20 . 1 . . . . 31 PHE CA . 17675 1 170 . 1 1 31 31 PHE CB C 13 36.50 0.20 . 1 . . . . 31 PHE CB . 17675 1 171 . 1 1 32 32 LYS H H 1 7.02 0.02 . 1 . . . . 32 LYS H . 17675 1 172 . 1 1 32 32 LYS HA H 1 4.18 0.02 . 1 . . . . 32 LYS HA . 17675 1 173 . 1 1 32 32 LYS C C 13 177.94 0.20 . 1 . . . . 32 LYS C . 17675 1 174 . 1 1 32 32 LYS CA C 13 58.49 0.20 . 1 . . . . 32 LYS CA . 17675 1 175 . 1 1 32 32 LYS CB C 13 32.92 0.20 . 1 . . . . 32 LYS CB . 17675 1 176 . 1 1 32 32 LYS N N 15 119.93 0.20 . 1 . . . . 32 LYS N . 17675 1 177 . 1 1 33 33 GLN H H 1 7.49 0.02 . 1 . . . . 33 GLN H . 17675 1 178 . 1 1 33 33 GLN HA H 1 4.30 0.02 . 1 . . . . 33 GLN HA . 17675 1 179 . 1 1 33 33 GLN C C 13 176.42 0.20 . 1 . . . . 33 GLN C . 17675 1 180 . 1 1 33 33 GLN CA C 13 55.75 0.20 . 1 . . . . 33 GLN CA . 17675 1 181 . 1 1 33 33 GLN CB C 13 28.86 0.20 . 1 . . . . 33 GLN CB . 17675 1 182 . 1 1 33 33 GLN N N 15 113.30 0.20 . 1 . . . . 33 GLN N . 17675 1 183 . 1 1 34 34 GLY H H 1 7.62 0.02 . 1 . . . . 34 GLY H . 17675 1 184 . 1 1 34 34 GLY HA2 H 1 3.95 0.02 . . . . . . 34 GLY HA2 . 17675 1 185 . 1 1 34 34 GLY C C 13 174.19 0.20 . 1 . . . . 34 GLY C . 17675 1 186 . 1 1 34 34 GLY CA C 13 46.41 0.20 . 1 . . . . 34 GLY CA . 17675 1 187 . 1 1 34 34 GLY N N 15 107.28 0.20 . 1 . . . . 34 GLY N . 17675 1 188 . 1 1 35 35 LEU H H 1 7.96 0.02 . 1 . . . . 35 LEU H . 17675 1 189 . 1 1 35 35 LEU HA H 1 4.15 0.02 . 1 . . . . 35 LEU HA . 17675 1 190 . 1 1 35 35 LEU C C 13 176.46 0.20 . 1 . . . . 35 LEU C . 17675 1 191 . 1 1 35 35 LEU CA C 13 55.64 0.20 . 1 . . . . 35 LEU CA . 17675 1 192 . 1 1 35 35 LEU CB C 13 42.84 0.20 . 1 . . . . 35 LEU CB . 17675 1 193 . 1 1 35 35 LEU N N 15 115.66 0.20 . 1 . . . . 35 LEU N . 17675 1 194 . 1 1 36 36 ALA H H 1 7.48 0.02 . 1 . . . . 36 ALA H . 17675 1 195 . 1 1 36 36 ALA HA H 1 5.01 0.02 . 1 . . . . 36 ALA HA . 17675 1 196 . 1 1 36 36 ALA C C 13 173.48 0.20 . 1 . . . . 36 ALA C . 17675 1 197 . 1 1 36 36 ALA CA C 13 50.33 0.20 . 1 . . . . 36 ALA CA . 17675 1 198 . 1 1 36 36 ALA CB C 13 23.62 0.20 . 1 . . . . 36 ALA CB . 17675 1 199 . 1 1 36 36 ALA N N 15 116.04 0.20 . 1 . . . . 36 ALA N . 17675 1 200 . 1 1 37 37 ILE H H 1 8.52 0.02 . 1 . . . . 37 ILE H . 17675 1 201 . 1 1 37 37 ILE HA H 1 4.12 0.02 . 1 . . . . 37 ILE HA . 17675 1 202 . 1 1 37 37 ILE C C 13 173.72 0.20 . 1 . . . . 37 ILE C . 17675 1 203 . 1 1 37 37 ILE CA C 13 59.69 0.20 . 1 . . . . 37 ILE CA . 17675 1 204 . 1 1 37 37 ILE CB C 13 42.91 0.20 . 1 . . . . 37 ILE CB . 17675 1 205 . 1 1 37 37 ILE N N 15 115.58 0.20 . 1 . . . . 37 ILE N . 17675 1 206 . 1 1 38 38 GLU H H 1 8.40 0.02 . 1 . . . . 38 GLU H . 17675 1 207 . 1 1 38 38 GLU HA H 1 4.24 0.02 . 1 . . . . 38 GLU HA . 17675 1 208 . 1 1 38 38 GLU C C 13 177.71 0.20 . 1 . . . . 38 GLU C . 17675 1 209 . 1 1 38 38 GLU CA C 13 57.90 0.20 . 1 . . . . 38 GLU CA . 17675 1 210 . 1 1 38 38 GLU CB C 13 29.30 0.20 . 1 . . . . 38 GLU CB . 17675 1 211 . 1 1 38 38 GLU N N 15 125.76 0.20 . 1 . . . . 38 GLU N . 17675 1 212 . 1 1 39 39 ALA H H 1 8.64 0.02 . 1 . . . . 39 ALA H . 17675 1 213 . 1 1 39 39 ALA HA H 1 4.34 0.02 . 1 . . . . 39 ALA HA . 17675 1 214 . 1 1 39 39 ALA C C 13 176.91 0.20 . 1 . . . . 39 ALA C . 17675 1 215 . 1 1 39 39 ALA CA C 13 51.28 0.20 . 1 . . . . 39 ALA CA . 17675 1 216 . 1 1 39 39 ALA CB C 13 17.52 0.20 . 1 . . . . 39 ALA CB . 17675 1 217 . 1 1 39 39 ALA N N 15 132.17 0.20 . 1 . . . . 39 ALA N . 17675 1 218 . 1 1 40 40 THR H H 1 8.01 0.02 . 1 . . . . 40 THR H . 17675 1 219 . 1 1 40 40 THR HA H 1 4.67 0.02 . 1 . . . . 40 THR HA . 17675 1 220 . 1 1 40 40 THR C C 13 173.27 0.20 . 1 . . . . 40 THR C . 17675 1 221 . 1 1 40 40 THR CA C 13 59.69 0.20 . 1 . . . . 40 THR CA . 17675 1 222 . 1 1 40 40 THR CB C 13 68.41 0.20 . 1 . . . . 40 THR CB . 17675 1 223 . 1 1 40 40 THR N N 15 114.30 0.20 . 1 . . . . 40 THR N . 17675 1 224 . 1 1 41 41 PRO C C 13 179.72 0.20 . 1 . . . . 41 PRO C . 17675 1 225 . 1 1 41 41 PRO CA C 13 66.17 0.20 . 1 . . . . 41 PRO CA . 17675 1 226 . 1 1 41 41 PRO CB C 13 31.87 0.20 . 1 . . . . 41 PRO CB . 17675 1 227 . 1 1 42 42 ALA H H 1 8.38 0.02 . 1 . . . . 42 ALA H . 17675 1 228 . 1 1 42 42 ALA HA H 1 4.13 0.02 . 1 . . . . 42 ALA HA . 17675 1 229 . 1 1 42 42 ALA C C 13 180.92 0.20 . 1 . . . . 42 ALA C . 17675 1 230 . 1 1 42 42 ALA CA C 13 55.21 0.20 . 1 . . . . 42 ALA CA . 17675 1 231 . 1 1 42 42 ALA CB C 13 18.68 0.20 . 1 . . . . 42 ALA CB . 17675 1 232 . 1 1 42 42 ALA N N 15 118.20 0.20 . 1 . . . . 42 ALA N . 17675 1 233 . 1 1 43 43 ASN H H 1 7.84 0.02 . 1 . . . . 43 ASN H . 17675 1 234 . 1 1 43 43 ASN HA H 1 4.59 0.02 . 1 . . . . 43 ASN HA . 17675 1 235 . 1 1 43 43 ASN C C 13 178.57 0.20 . 1 . . . . 43 ASN C . 17675 1 236 . 1 1 43 43 ASN CA C 13 55.07 0.20 . 1 . . . . 43 ASN CA . 17675 1 237 . 1 1 43 43 ASN CB C 13 37.21 0.20 . 1 . . . . 43 ASN CB . 17675 1 238 . 1 1 43 43 ASN N N 15 119.05 0.20 . 1 . . . . 43 ASN N . 17675 1 239 . 1 1 44 44 LEU H H 1 8.63 0.02 . 1 . . . . 44 LEU H . 17675 1 240 . 1 1 44 44 LEU HA H 1 4.05 0.02 . 1 . . . . 44 LEU HA . 17675 1 241 . 1 1 44 44 LEU C C 13 180.12 0.20 . 1 . . . . 44 LEU C . 17675 1 242 . 1 1 44 44 LEU CA C 13 57.92 0.20 . 1 . . . . 44 LEU CA . 17675 1 243 . 1 1 44 44 LEU CB C 13 40.70 0.20 . 1 . . . . 44 LEU CB . 17675 1 244 . 1 1 44 44 LEU N N 15 120.44 0.20 . 1 . . . . 44 LEU N . 17675 1 245 . 1 1 45 45 LYS H H 1 8.01 0.02 . 1 . . . . 45 LYS H . 17675 1 246 . 1 1 45 45 LYS HA H 1 4.12 0.02 . 1 . . . . 45 LYS HA . 17675 1 247 . 1 1 45 45 LYS C C 13 179.34 0.20 . 1 . . . . 45 LYS C . 17675 1 248 . 1 1 45 45 LYS CA C 13 59.14 0.20 . 1 . . . . 45 LYS CA . 17675 1 249 . 1 1 45 45 LYS CB C 13 32.28 0.20 . 1 . . . . 45 LYS CB . 17675 1 250 . 1 1 45 45 LYS N N 15 120.68 0.20 . 1 . . . . 45 LYS N . 17675 1 251 . 1 1 46 46 ALA H H 1 7.63 0.02 . 1 . . . . 46 ALA H . 17675 1 252 . 1 1 46 46 ALA HA H 1 4.23 0.02 . 1 . . . . 46 ALA HA . 17675 1 253 . 1 1 46 46 ALA C C 13 180.63 0.20 . 1 . . . . 46 ALA C . 17675 1 254 . 1 1 46 46 ALA CA C 13 54.83 0.20 . 1 . . . . 46 ALA CA . 17675 1 255 . 1 1 46 46 ALA CB C 13 18.08 0.20 . 1 . . . . 46 ALA CB . 17675 1 256 . 1 1 46 46 ALA N N 15 122.44 0.20 . 1 . . . . 46 ALA N . 17675 1 257 . 1 1 47 47 LEU H H 1 7.94 0.02 . 1 . . . . 47 LEU H . 17675 1 258 . 1 1 47 47 LEU HA H 1 4.12 0.02 . 1 . . . . 47 LEU HA . 17675 1 259 . 1 1 47 47 LEU C C 13 179.87 0.20 . 1 . . . . 47 LEU C . 17675 1 260 . 1 1 47 47 LEU CA C 13 57.66 0.20 . 1 . . . . 47 LEU CA . 17675 1 261 . 1 1 47 47 LEU CB C 13 42.03 0.20 . 1 . . . . 47 LEU CB . 17675 1 262 . 1 1 47 47 LEU N N 15 119.73 0.20 . 1 . . . . 47 LEU N . 17675 1 263 . 1 1 48 48 GLU H H 1 7.93 0.02 . 1 . . . . 48 GLU H . 17675 1 264 . 1 1 48 48 GLU HA H 1 4.09 0.02 . 1 . . . . 48 GLU HA . 17675 1 265 . 1 1 48 48 GLU C C 13 178.56 0.20 . 1 . . . . 48 GLU C . 17675 1 266 . 1 1 48 48 GLU CA C 13 58.62 0.20 . 1 . . . . 48 GLU CA . 17675 1 267 . 1 1 48 48 GLU CB C 13 29.62 0.20 . 1 . . . . 48 GLU CB . 17675 1 268 . 1 1 48 48 GLU N N 15 120.26 0.20 . 1 . . . . 48 GLU N . 17675 1 269 . 1 1 49 49 ALA H H 1 7.87 0.02 . 1 . . . . 49 ALA H . 17675 1 270 . 1 1 49 49 ALA HA H 1 4.23 0.02 . 1 . . . . 49 ALA HA . 17675 1 271 . 1 1 49 49 ALA C C 13 179.89 0.20 . 1 . . . . 49 ALA C . 17675 1 272 . 1 1 49 49 ALA CA C 13 54.19 0.20 . 1 . . . . 49 ALA CA . 17675 1 273 . 1 1 49 49 ALA CB C 13 18.39 0.20 . 1 . . . . 49 ALA CB . 17675 1 274 . 1 1 49 49 ALA N N 15 121.71 0.20 . 1 . . . . 49 ALA N . 17675 1 275 . 1 1 50 50 GLN H H 1 7.81 0.02 . 1 . . . . 50 GLN H . 17675 1 276 . 1 1 50 50 GLN HA H 1 4.17 0.02 . 1 . . . . 50 GLN HA . 17675 1 277 . 1 1 50 50 GLN C C 13 177.50 0.20 . 1 . . . . 50 GLN C . 17675 1 278 . 1 1 50 50 GLN CA C 13 57.53 0.20 . 1 . . . . 50 GLN CA . 17675 1 279 . 1 1 50 50 GLN CB C 13 28.81 0.20 . 1 . . . . 50 GLN CB . 17675 1 280 . 1 1 50 50 GLN N N 15 117.83 0.20 . 1 . . . . 50 GLN N . 17675 1 281 . 1 1 51 51 LYS H H 1 7.87 0.02 . 1 . . . . 51 LYS H . 17675 1 282 . 1 1 51 51 LYS HA H 1 4.19 0.02 . 1 . . . . 51 LYS HA . 17675 1 283 . 1 1 51 51 LYS C C 13 178.12 0.20 . 1 . . . . 51 LYS C . 17675 1 284 . 1 1 51 51 LYS CA C 13 58.11 0.20 . 1 . . . . 51 LYS CA . 17675 1 285 . 1 1 51 51 LYS CB C 13 32.62 0.20 . 1 . . . . 51 LYS CB . 17675 1 286 . 1 1 51 51 LYS N N 15 120.55 0.20 . 1 . . . . 51 LYS N . 17675 1 287 . 1 1 52 52 GLN H H 1 8.04 0.02 . 1 . . . . 52 GLN H . 17675 1 288 . 1 1 52 52 GLN HA H 1 4.21 0.02 . 1 . . . . 52 GLN HA . 17675 1 289 . 1 1 52 52 GLN C C 13 177.19 0.20 . 1 . . . . 52 GLN C . 17675 1 290 . 1 1 52 52 GLN CA C 13 56.88 0.20 . 1 . . . . 52 GLN CA . 17675 1 291 . 1 1 52 52 GLN CB C 13 29.07 0.20 . 1 . . . . 52 GLN CB . 17675 1 292 . 1 1 52 52 GLN N N 15 118.88 0.20 . 1 . . . . 52 GLN N . 17675 1 293 . 1 1 53 53 LYS H H 1 7.97 0.02 . 1 . . . . 53 LYS H . 17675 1 294 . 1 1 53 53 LYS HA H 1 4.24 0.02 . 1 . . . . 53 LYS HA . 17675 1 295 . 1 1 53 53 LYS C C 13 177.20 0.20 . 1 . . . . 53 LYS C . 17675 1 296 . 1 1 53 53 LYS CA C 13 57.48 0.20 . 1 . . . . 53 LYS CA . 17675 1 297 . 1 1 53 53 LYS CB C 13 32.88 0.20 . 1 . . . . 53 LYS CB . 17675 1 298 . 1 1 53 53 LYS N N 15 120.69 0.20 . 1 . . . . 53 LYS N . 17675 1 299 . 1 1 54 54 GLU H H 1 8.10 0.02 . 1 . . . . 54 GLU H . 17675 1 300 . 1 1 54 54 GLU HA H 1 4.26 0.02 . 1 . . . . 54 GLU HA . 17675 1 301 . 1 1 54 54 GLU C C 13 176.57 0.20 . 1 . . . . 54 GLU C . 17675 1 302 . 1 1 54 54 GLU CA C 13 56.76 0.20 . 1 . . . . 54 GLU CA . 17675 1 303 . 1 1 54 54 GLU CB C 13 30.30 0.20 . 1 . . . . 54 GLU CB . 17675 1 304 . 1 1 54 54 GLU N N 15 120.22 0.20 . 1 . . . . 54 GLU N . 17675 1 305 . 1 1 55 55 GLN H H 1 8.18 0.02 . 1 . . . . 55 GLN H . 17675 1 306 . 1 1 55 55 GLN HA H 1 4.34 0.02 . 1 . . . . 55 GLN HA . 17675 1 307 . 1 1 55 55 GLN C C 13 175.18 0.20 . 1 . . . . 55 GLN C . 17675 1 308 . 1 1 55 55 GLN CA C 13 56.22 0.20 . 1 . . . . 55 GLN CA . 17675 1 309 . 1 1 55 55 GLN CB C 13 29.53 0.20 . 1 . . . . 55 GLN CB . 17675 1 310 . 1 1 55 55 GLN N N 15 121.31 0.20 . 1 . . . . 55 GLN N . 17675 1 311 . 1 1 56 56 ARG H H 1 8.02 0.02 . 1 . . . . 56 ARG H . 17675 1 312 . 1 1 56 56 ARG HA H 1 4.21 0.02 . 1 . . . . 56 ARG HA . 17675 1 313 . 1 1 56 56 ARG N N 15 128.18 0.20 . 1 . . . . 56 ARG N . 17675 1 stop_ save_ save_denatured_state_assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode denatured_state_assignment _Assigned_chem_shift_list.Entry_ID 17675 _Assigned_chem_shift_list.ID 2 _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' . . . 17675 2 3 '3D CBCA(CO)NH' . . . 17675 2 5 '3D HNCACB' . . . 17675 2 7 '3D HNCO' . . . 17675 2 8 '3D 1H-15N TOCSY' . . . 17675 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 1 1 1 MET C C 13 172.33 0.20 . 1 . . . . 1 MET C . 17675 2 2 . 2 1 1 1 MET CA C 13 54.99 0.20 . 1 . . . . 1 MET CA . 17675 2 3 . 2 1 1 1 MET CB C 13 32.98 0.20 . 1 . . . . 1 MET CB . 17675 2 4 . 2 1 2 2 LYS H H 1 8.73 0.02 . 1 . . . . 2 LYS H . 17675 2 5 . 2 1 2 2 LYS HA H 1 4.35 0.02 . 1 . . . . 2 LYS HA . 17675 2 6 . 2 1 2 2 LYS C C 13 175.91 0.20 . 1 . . . . 2 LYS C . 17675 2 7 . 2 1 2 2 LYS CA C 13 56.44 0.20 . 1 . . . . 2 LYS CA . 17675 2 8 . 2 1 2 2 LYS CB C 13 33.36 0.20 . 1 . . . . 2 LYS CB . 17675 2 9 . 2 1 2 2 LYS N N 15 125.03 0.20 . 1 . . . . 2 LYS N . 17675 2 10 . 2 1 3 3 ALA H H 1 8.50 0.02 . 1 . . . . 3 ALA H . 17675 2 11 . 2 1 3 3 ALA HA H 1 4.22 0.02 . 1 . . . . 3 ALA HA . 17675 2 12 . 2 1 3 3 ALA C C 13 177.45 0.20 . 1 . . . . 3 ALA C . 17675 2 13 . 2 1 3 3 ALA CA C 13 52.55 0.20 . 1 . . . . 3 ALA CA . 17675 2 14 . 2 1 3 3 ALA CB C 13 19.42 0.20 . 1 . . . . 3 ALA CB . 17675 2 15 . 2 1 3 3 ALA N N 15 126.78 0.20 . 1 . . . . 3 ALA N . 17675 2 16 . 2 1 4 4 ALA H H 1 8.33 0.02 . 1 . . . . 4 ALA H . 17675 2 17 . 2 1 4 4 ALA HA H 1 4.22 0.02 . 1 . . . . 4 ALA HA . 17675 2 18 . 2 1 4 4 ALA C C 13 177.52 0.20 . 1 . . . . 4 ALA C . 17675 2 19 . 2 1 4 4 ALA CA C 13 52.53 0.20 . 1 . . . . 4 ALA CA . 17675 2 20 . 2 1 4 4 ALA CB C 13 19.47 0.20 . 1 . . . . 4 ALA CB . 17675 2 21 . 2 1 4 4 ALA N N 15 123.67 0.20 . 1 . . . . 4 ALA N . 17675 2 22 . 2 1 5 5 PHE H H 1 8.13 0.02 . 1 . . . . 5 PHE H . 17675 2 23 . 2 1 5 5 PHE HA H 1 4.62 0.02 . 1 . . . . 5 PHE HA . 17675 2 24 . 2 1 5 5 PHE C C 13 175.68 0.20 . 1 . . . . 5 PHE C . 17675 2 25 . 2 1 5 5 PHE CA C 13 57.62 0.20 . 1 . . . . 5 PHE CA . 17675 2 26 . 2 1 5 5 PHE CB C 13 39.54 0.20 . 1 . . . . 5 PHE CB . 17675 2 27 . 2 1 5 5 PHE N N 15 119.11 0.20 . 1 . . . . 5 PHE N . 17675 2 28 . 2 1 6 6 LEU H H 1 8.13 0.02 . 1 . . . . 6 LEU H . 17675 2 29 . 2 1 6 6 LEU HA H 1 4.33 0.02 . 1 . . . . 6 LEU HA . 17675 2 30 . 2 1 6 6 LEU C C 13 176.91 0.20 . 1 . . . . 6 LEU C . 17675 2 31 . 2 1 6 6 LEU CA C 13 55.05 0.20 . 1 . . . . 6 LEU CA . 17675 2 32 . 2 1 6 6 LEU CB C 13 42.58 0.20 . 1 . . . . 6 LEU CB . 17675 2 33 . 2 1 6 6 LEU N N 15 124.38 0.20 . 1 . . . . 6 LEU N . 17675 2 34 . 2 1 7 7 LYS H H 1 8.18 0.02 . 1 . . . . 7 LYS H . 17675 2 35 . 2 1 7 7 LYS HA H 1 4.25 0.02 . 1 . . . . 7 LYS HA . 17675 2 36 . 2 1 7 7 LYS C C 13 176.21 0.20 . 1 . . . . 7 LYS C . 17675 2 37 . 2 1 7 7 LYS CA C 13 56.55 0.20 . 1 . . . . 7 LYS CA . 17675 2 38 . 2 1 7 7 LYS CB C 13 33.25 0.20 . 1 . . . . 7 LYS CB . 17675 2 39 . 2 1 7 7 LYS N N 15 122.17 0.20 . 1 . . . . 7 LYS N . 17675 2 40 . 2 1 8 8 ASP H H 1 8.34 0.02 . 1 . . . . 8 ASP H . 17675 2 41 . 2 1 8 8 ASP HA H 1 4.62 0.02 . 1 . . . . 8 ASP HA . 17675 2 42 . 2 1 8 8 ASP C C 13 176.34 0.20 . 1 . . . . 8 ASP C . 17675 2 43 . 2 1 8 8 ASP CA C 13 54.21 0.20 . 1 . . . . 8 ASP CA . 17675 2 44 . 2 1 8 8 ASP CB C 13 41.20 0.20 . 1 . . . . 8 ASP CB . 17675 2 45 . 2 1 8 8 ASP N N 15 121.73 0.20 . 1 . . . . 8 ASP N . 17675 2 46 . 2 1 9 9 VAL H H 1 8.14 0.02 . 1 . . . . 9 VAL H . 17675 2 47 . 2 1 9 9 VAL HA H 1 4.15 0.02 . 1 . . . . 9 VAL HA . 17675 2 48 . 2 1 9 9 VAL C C 13 176.63 0.20 . 1 . . . . 9 VAL C . 17675 2 49 . 2 1 9 9 VAL CA C 13 62.59 0.20 . 1 . . . . 9 VAL CA . 17675 2 50 . 2 1 9 9 VAL CB C 13 32.51 0.20 . 1 . . . . 9 VAL CB . 17675 2 51 . 2 1 9 9 VAL N N 15 120.95 0.20 . 1 . . . . 9 VAL N . 17675 2 52 . 2 1 10 10 LYS H H 1 8.44 0.02 . 1 . . . . 10 LYS H . 17675 2 53 . 2 1 10 10 LYS HA H 1 4.30 0.02 . 1 . . . . 10 LYS HA . 17675 2 54 . 2 1 10 10 LYS C C 13 177.43 0.20 . 1 . . . . 10 LYS C . 17675 2 55 . 2 1 10 10 LYS CA C 13 56.64 0.20 . 1 . . . . 10 LYS CA . 17675 2 56 . 2 1 10 10 LYS CB C 13 32.85 0.20 . 1 . . . . 10 LYS CB . 17675 2 57 . 2 1 10 10 LYS N N 15 124.71 0.20 . 1 . . . . 10 LYS N . 17675 2 58 . 2 1 11 11 GLY H H 1 8.43 0.02 . 1 . . . . 11 GLY H . 17675 2 59 . 2 1 11 11 GLY HA2 H 1 3.96 0.02 . . . . . . 11 GLY HA2 . 17675 2 60 . 2 1 11 11 GLY C C 13 174.27 0.20 . 1 . . . . 11 GLY C . 17675 2 61 . 2 1 11 11 GLY CA C 13 45.41 0.20 . 1 . . . . 11 GLY CA . 17675 2 62 . 2 1 11 11 GLY N N 15 110.09 0.20 . 1 . . . . 11 GLY N . 17675 2 63 . 2 1 12 12 LYS H H 1 8.28 0.02 . 1 . . . . 12 LYS H . 17675 2 64 . 2 1 12 12 LYS HA H 1 4.36 0.02 . 1 . . . . 12 LYS HA . 17675 2 65 . 2 1 12 12 LYS C C 13 177.43 0.20 . 1 . . . . 12 LYS C . 17675 2 66 . 2 1 12 12 LYS CA C 13 56.34 0.20 . 1 . . . . 12 LYS CA . 17675 2 67 . 2 1 12 12 LYS CB C 13 33.23 0.20 . 1 . . . . 12 LYS CB . 17675 2 68 . 2 1 12 12 LYS N N 15 120.82 0.20 . 1 . . . . 12 LYS N . 17675 2 69 . 2 1 13 13 GLY H H 1 8.52 0.02 . 1 . . . . 13 GLY H . 17675 2 70 . 2 1 13 13 GLY HA2 H 1 3.96 0.02 . . . . . . 13 GLY HA2 . 17675 2 71 . 2 1 13 13 GLY C C 13 174.26 0.20 . 1 . . . . 13 GLY C . 17675 2 72 . 2 1 13 13 GLY CA C 13 45.35 0.20 . 1 . . . . 13 GLY CA . 17675 2 73 . 2 1 13 13 GLY N N 15 110.12 0.20 . 1 . . . . 13 GLY N . 17675 2 74 . 2 1 14 14 LYS H H 1 8.29 0.02 . 1 . . . . 14 LYS H . 17675 2 75 . 2 1 14 14 LYS HA H 1 4.30 0.02 . 1 . . . . 14 LYS HA . 17675 2 76 . 2 1 14 14 LYS C C 13 177.05 0.20 . 1 . . . . 14 LYS C . 17675 2 77 . 2 1 14 14 LYS CA C 13 56.26 0.20 . 1 . . . . 14 LYS CA . 17675 2 78 . 2 1 14 14 LYS CB C 13 33.37 0.20 . 1 . . . . 14 LYS CB . 17675 2 79 . 2 1 14 14 LYS N N 15 121.30 0.20 . 1 . . . . 14 LYS N . 17675 2 80 . 2 1 15 15 LYS H H 1 8.51 0.02 . 1 . . . . 15 LYS H . 17675 2 81 . 2 1 15 15 LYS HA H 1 4.27 0.02 . 1 . . . . 15 LYS HA . 17675 2 82 . 2 1 15 15 LYS C C 13 177.38 0.20 . 1 . . . . 15 LYS C . 17675 2 83 . 2 1 15 15 LYS CA C 13 56.79 0.20 . 1 . . . . 15 LYS CA . 17675 2 84 . 2 1 15 15 LYS CB C 13 32.90 0.20 . 1 . . . . 15 LYS CB . 17675 2 85 . 2 1 15 15 LYS N N 15 123.23 0.20 . 1 . . . . 15 LYS N . 17675 2 86 . 2 1 16 16 GLY H H 1 8.49 0.02 . 1 . . . . 16 GLY H . 17675 2 87 . 2 1 16 16 GLY HA2 H 1 3.92 0.02 . . . . . . 16 GLY HA2 . 17675 2 88 . 2 1 16 16 GLY C C 13 174.03 0.20 . 1 . . . . 16 GLY C . 17675 2 89 . 2 1 16 16 GLY CA C 13 45.31 0.20 . 1 . . . . 16 GLY CA . 17675 2 90 . 2 1 16 16 GLY N N 15 110.66 0.20 . 1 . . . . 16 GLY N . 17675 2 91 . 2 1 17 17 GLU H H 1 8.22 0.02 . 1 . . . . 17 GLU H . 17675 2 92 . 2 1 17 17 GLU HA H 1 4.31 0.02 . 1 . . . . 17 GLU HA . 17675 2 93 . 2 1 17 17 GLU C C 13 176.55 0.20 . 1 . . . . 17 GLU C . 17675 2 94 . 2 1 17 17 GLU CA C 13 56.36 0.20 . 1 . . . . 17 GLU CA . 17675 2 95 . 2 1 17 17 GLU CB C 13 30.61 0.20 . 1 . . . . 17 GLU CB . 17675 2 96 . 2 1 17 17 GLU N N 15 120.81 0.20 . 1 . . . . 17 GLU N . 17675 2 97 . 2 1 18 18 ILE H H 1 8.34 0.02 . 1 . . . . 18 ILE H . 17675 2 98 . 2 1 18 18 ILE HA H 1 4.16 0.02 . 1 . . . . 18 ILE HA . 17675 2 99 . 2 1 18 18 ILE C C 13 176.39 0.20 . 1 . . . . 18 ILE C . 17675 2 100 . 2 1 18 18 ILE CA C 13 61.01 0.20 . 1 . . . . 18 ILE CA . 17675 2 101 . 2 1 18 18 ILE CB C 13 38.47 0.20 . 1 . . . . 18 ILE CB . 17675 2 102 . 2 1 18 18 ILE N N 15 123.36 0.20 . 1 . . . . 18 ILE N . 17675 2 103 . 2 1 19 19 LYS H H 1 8.49 0.02 . 1 . . . . 19 LYS H . 17675 2 104 . 2 1 19 19 LYS HA H 1 4.32 0.02 . 1 . . . . 19 LYS HA . 17675 2 105 . 2 1 19 19 LYS C C 13 176.13 0.20 . 1 . . . . 19 LYS C . 17675 2 106 . 2 1 19 19 LYS CA C 13 56.18 0.20 . 1 . . . . 19 LYS CA . 17675 2 107 . 2 1 19 19 LYS CB C 13 33.40 0.20 . 1 . . . . 19 LYS CB . 17675 2 108 . 2 1 19 19 LYS N N 15 126.41 0.20 . 1 . . . . 19 LYS N . 17675 2 109 . 2 1 20 20 ASN H H 1 8.56 0.02 . 1 . . . . 20 ASN H . 17675 2 110 . 2 1 20 20 ASN HA H 1 4.71 0.02 . 1 . . . . 20 ASN HA . 17675 2 111 . 2 1 20 20 ASN C C 13 175.43 0.20 . 1 . . . . 20 ASN C . 17675 2 112 . 2 1 20 20 ASN CA C 13 53.39 0.20 . 1 . . . . 20 ASN CA . 17675 2 113 . 2 1 20 20 ASN CB C 13 38.97 0.20 . 1 . . . . 20 ASN CB . 17675 2 114 . 2 1 20 20 ASN N N 15 120.95 0.20 . 1 . . . . 20 ASN N . 17675 2 115 . 2 1 21 21 VAL H H 1 8.21 0.02 . 1 . . . . 21 VAL H . 17675 2 116 . 2 1 21 21 VAL HA H 1 4.07 0.02 . 1 . . . . 21 VAL HA . 17675 2 117 . 2 1 21 21 VAL C C 13 176.20 0.20 . 1 . . . . 21 VAL C . 17675 2 118 . 2 1 21 21 VAL CA C 13 62.63 0.20 . 1 . . . . 21 VAL CA . 17675 2 119 . 2 1 21 21 VAL CB C 13 32.75 0.20 . 1 . . . . 21 VAL CB . 17675 2 120 . 2 1 21 21 VAL N N 15 121.06 0.20 . 1 . . . . 21 VAL N . 17675 2 121 . 2 1 22 22 ALA H H 1 8.40 0.02 . 1 . . . . 22 ALA H . 17675 2 122 . 2 1 22 22 ALA HA H 1 4.30 0.02 . 1 . . . . 22 ALA HA . 17675 2 123 . 2 1 22 22 ALA C C 13 177.79 0.20 . 1 . . . . 22 ALA C . 17675 2 124 . 2 1 22 22 ALA CA C 13 52.75 0.20 . 1 . . . . 22 ALA CA . 17675 2 125 . 2 1 22 22 ALA CB C 13 19.19 0.20 . 1 . . . . 22 ALA CB . 17675 2 126 . 2 1 22 22 ALA N N 15 126.89 0.20 . 1 . . . . 22 ALA N . 17675 2 127 . 2 1 23 23 ASP H H 1 8.20 0.02 . 1 . . . . 23 ASP H . 17675 2 128 . 2 1 23 23 ASP HA H 1 4.54 0.02 . 1 . . . . 23 ASP HA . 17675 2 129 . 2 1 23 23 ASP C C 13 177.04 0.20 . 1 . . . . 23 ASP C . 17675 2 130 . 2 1 23 23 ASP CA C 13 54.69 0.20 . 1 . . . . 23 ASP CA . 17675 2 131 . 2 1 23 23 ASP CB C 13 41.07 0.20 . 1 . . . . 23 ASP CB . 17675 2 132 . 2 1 23 23 ASP N N 15 119.72 0.20 . 1 . . . . 23 ASP N . 17675 2 133 . 2 1 24 24 GLY H H 1 8.26 0.02 . 1 . . . . 24 GLY H . 17675 2 134 . 2 1 24 24 GLY HA2 H 1 3.86 0.02 . . . . . . 24 GLY HA2 . 17675 2 135 . 2 1 24 24 GLY C C 13 174.39 0.20 . 1 . . . . 24 GLY C . 17675 2 136 . 2 1 24 24 GLY CA C 13 45.55 0.20 . 1 . . . . 24 GLY CA . 17675 2 137 . 2 1 24 24 GLY N N 15 109.04 0.20 . 1 . . . . 24 GLY N . 17675 2 138 . 2 1 25 25 TYR H H 1 8.03 0.02 . 1 . . . . 25 TYR H . 17675 2 139 . 2 1 25 25 TYR HA H 1 4.50 0.02 . 1 . . . . 25 TYR HA . 17675 2 140 . 2 1 25 25 TYR C C 13 176.19 0.20 . 1 . . . . 25 TYR C . 17675 2 141 . 2 1 25 25 TYR CA C 13 58.40 0.20 . 1 . . . . 25 TYR CA . 17675 2 142 . 2 1 25 25 TYR CB C 13 38.75 0.20 . 1 . . . . 25 TYR CB . 17675 2 143 . 2 1 25 25 TYR N N 15 120.19 0.20 . 1 . . . . 25 TYR N . 17675 2 144 . 2 1 26 26 ALA H H 1 8.20 0.02 . 1 . . . . 26 ALA H . 17675 2 145 . 2 1 26 26 ALA HA H 1 4.21 0.02 . 1 . . . . 26 ALA HA . 17675 2 146 . 2 1 26 26 ALA C C 13 177.69 0.20 . 1 . . . . 26 ALA C . 17675 2 147 . 2 1 26 26 ALA CA C 13 53.00 0.20 . 1 . . . . 26 ALA CA . 17675 2 148 . 2 1 26 26 ALA CB C 13 19.17 0.20 . 1 . . . . 26 ALA CB . 17675 2 149 . 2 1 26 26 ALA N N 15 124.44 0.20 . 1 . . . . 26 ALA N . 17675 2 150 . 2 1 27 27 ASN H H 1 8.22 0.02 . 1 . . . . 27 ASN H . 17675 2 151 . 2 1 27 27 ASN HA H 1 4.62 0.02 . 1 . . . . 27 ASN HA . 17675 2 152 . 2 1 27 27 ASN C C 13 175.26 0.20 . 1 . . . . 27 ASN C . 17675 2 153 . 2 1 27 27 ASN CA C 13 53.58 0.20 . 1 . . . . 27 ASN CA . 17675 2 154 . 2 1 27 27 ASN CB C 13 38.73 0.20 . 1 . . . . 27 ASN CB . 17675 2 155 . 2 1 27 27 ASN N N 15 116.99 0.20 . 1 . . . . 27 ASN N . 17675 2 156 . 2 1 28 28 ASN H H 1 8.21 0.02 . 1 . . . . 28 ASN H . 17675 2 157 . 2 1 28 28 ASN HA H 1 4.63 0.02 . 1 . . . . 28 ASN HA . 17675 2 158 . 2 1 28 28 ASN C C 13 175.37 0.20 . 1 . . . . 28 ASN C . 17675 2 159 . 2 1 28 28 ASN CA C 13 53.71 0.20 . 1 . . . . 28 ASN CA . 17675 2 160 . 2 1 28 28 ASN CB C 13 38.72 0.20 . 1 . . . . 28 ASN CB . 17675 2 161 . 2 1 28 28 ASN N N 15 118.68 0.20 . 1 . . . . 28 ASN N . 17675 2 162 . 2 1 29 29 PHE H H 1 8.13 0.02 . 1 . . . . 29 PHE H . 17675 2 163 . 2 1 29 29 PHE HA H 1 4.51 0.02 . 1 . . . . 29 PHE HA . 17675 2 164 . 2 1 29 29 PHE C C 13 175.99 0.20 . 1 . . . . 29 PHE C . 17675 2 165 . 2 1 29 29 PHE CA C 13 58.57 0.20 . 1 . . . . 29 PHE CA . 17675 2 166 . 2 1 29 29 PHE CB C 13 39.23 0.20 . 1 . . . . 29 PHE CB . 17675 2 167 . 2 1 29 29 PHE N N 15 120.12 0.20 . 1 . . . . 29 PHE N . 17675 2 168 . 2 1 30 30 LEU H H 1 7.97 0.02 . 1 . . . . 30 LEU H . 17675 2 169 . 2 1 30 30 LEU HA H 1 4.18 0.02 . 1 . . . . 30 LEU HA . 17675 2 170 . 2 1 30 30 LEU C C 13 177.29 0.20 . 1 . . . . 30 LEU C . 17675 2 171 . 2 1 30 30 LEU CA C 13 55.65 0.20 . 1 . . . . 30 LEU CA . 17675 2 172 . 2 1 30 30 LEU CB C 13 42.32 0.20 . 1 . . . . 30 LEU CB . 17675 2 173 . 2 1 30 30 LEU N N 15 120.12 0.20 . 1 . . . . 30 LEU N . 17675 2 174 . 2 1 31 31 PHE H H 1 8.03 0.02 . 1 . . . . 31 PHE H . 17675 2 175 . 2 1 31 31 PHE HA H 1 4.54 0.02 . 1 . . . . 31 PHE HA . 17675 2 176 . 2 1 31 31 PHE C C 13 176.21 0.20 . 1 . . . . 31 PHE C . 17675 2 177 . 2 1 31 31 PHE CA C 13 58.15 0.20 . 1 . . . . 31 PHE CA . 17675 2 178 . 2 1 31 31 PHE CB C 13 39.40 0.20 . 1 . . . . 31 PHE CB . 17675 2 179 . 2 1 31 31 PHE N N 15 120.42 0.20 . 1 . . . . 31 PHE N . 17675 2 180 . 2 1 32 32 LYS H H 1 8.14 0.02 . 1 . . . . 32 LYS H . 17675 2 181 . 2 1 32 32 LYS HA H 1 4.20 0.02 . 1 . . . . 32 LYS HA . 17675 2 182 . 2 1 32 32 LYS C C 13 176.54 0.20 . 1 . . . . 32 LYS C . 17675 2 183 . 2 1 32 32 LYS CA C 13 56.66 0.20 . 1 . . . . 32 LYS CA . 17675 2 184 . 2 1 32 32 LYS CB C 13 33.20 0.20 . 1 . . . . 32 LYS CB . 17675 2 185 . 2 1 32 32 LYS N N 15 122.65 0.20 . 1 . . . . 32 LYS N . 17675 2 186 . 2 1 33 33 GLN H H 1 8.34 0.02 . 1 . . . . 33 GLN H . 17675 2 187 . 2 1 33 33 GLN HA H 1 4.23 0.02 . 1 . . . . 33 GLN HA . 17675 2 188 . 2 1 33 33 GLN C C 13 176.60 0.20 . 1 . . . . 33 GLN C . 17675 2 189 . 2 1 33 33 GLN CA C 13 56.29 0.20 . 1 . . . . 33 GLN CA . 17675 2 190 . 2 1 33 33 GLN CB C 13 29.47 0.20 . 1 . . . . 33 GLN CB . 17675 2 191 . 2 1 33 33 GLN N N 15 121.35 0.20 . 1 . . . . 33 GLN N . 17675 2 192 . 2 1 34 34 GLY H H 1 8.37 0.02 . 1 . . . . 34 GLY H . 17675 2 193 . 2 1 34 34 GLY HA2 H 1 3.91 0.02 . . . . . . 34 GLY HA2 . 17675 2 194 . 2 1 34 34 GLY C C 13 174.11 0.20 . 1 . . . . 34 GLY C . 17675 2 195 . 2 1 34 34 GLY CA C 13 45.45 0.20 . 1 . . . . 34 GLY CA . 17675 2 196 . 2 1 34 34 GLY N N 15 109.73 0.20 . 1 . . . . 34 GLY N . 17675 2 197 . 2 1 35 35 LEU H H 1 7.99 0.02 . 1 . . . . 35 LEU H . 17675 2 198 . 2 1 35 35 LEU HA H 1 4.34 0.02 . 1 . . . . 35 LEU HA . 17675 2 199 . 2 1 35 35 LEU C C 13 177.15 0.20 . 1 . . . . 35 LEU C . 17675 2 200 . 2 1 35 35 LEU CA C 13 54.99 0.20 . 1 . . . . 35 LEU CA . 17675 2 201 . 2 1 35 35 LEU CB C 13 42.88 0.20 . 1 . . . . 35 LEU CB . 17675 2 202 . 2 1 35 35 LEU N N 15 121.57 0.20 . 1 . . . . 35 LEU N . 17675 2 203 . 2 1 36 36 ALA H H 1 8.29 0.02 . 1 . . . . 36 ALA H . 17675 2 204 . 2 1 36 36 ALA HA H 1 4.31 0.02 . 1 . . . . 36 ALA HA . 17675 2 205 . 2 1 36 36 ALA C C 13 177.66 0.20 . 1 . . . . 36 ALA C . 17675 2 206 . 2 1 36 36 ALA CA C 13 52.39 0.20 . 1 . . . . 36 ALA CA . 17675 2 207 . 2 1 36 36 ALA CB C 13 19.12 0.20 . 1 . . . . 36 ALA CB . 17675 2 208 . 2 1 36 36 ALA N N 15 125.15 0.20 . 1 . . . . 36 ALA N . 17675 2 209 . 2 1 37 37 ILE H H 1 8.11 0.02 . 1 . . . . 37 ILE H . 17675 2 210 . 2 1 37 37 ILE HA H 1 4.14 0.02 . 1 . . . . 37 ILE HA . 17675 2 211 . 2 1 37 37 ILE C C 13 176.47 0.20 . 1 . . . . 37 ILE C . 17675 2 212 . 2 1 37 37 ILE CA C 13 61.01 0.20 . 1 . . . . 37 ILE CA . 17675 2 213 . 2 1 37 37 ILE CB C 13 38.88 0.20 . 1 . . . . 37 ILE CB . 17675 2 214 . 2 1 37 37 ILE N N 15 120.48 0.20 . 1 . . . . 37 ILE N . 17675 2 215 . 2 1 38 38 GLU H H 1 8.48 0.02 . 1 . . . . 38 GLU H . 17675 2 216 . 2 1 38 38 GLU HA H 1 4.24 0.02 . 1 . . . . 38 GLU HA . 17675 2 217 . 2 1 38 38 GLU C C 13 176.20 0.20 . 1 . . . . 38 GLU C . 17675 2 218 . 2 1 38 38 GLU CA C 13 56.38 0.20 . 1 . . . . 38 GLU CA . 17675 2 219 . 2 1 38 38 GLU CB C 13 30.30 0.20 . 1 . . . . 38 GLU CB . 17675 2 220 . 2 1 38 38 GLU N N 15 125.19 0.20 . 1 . . . . 38 GLU N . 17675 2 221 . 2 1 39 39 ALA H H 1 8.40 0.02 . 1 . . . . 39 ALA H . 17675 2 222 . 2 1 39 39 ALA HA H 1 4.38 0.02 . 1 . . . . 39 ALA HA . 17675 2 223 . 2 1 39 39 ALA C C 13 177.60 0.20 . 1 . . . . 39 ALA C . 17675 2 224 . 2 1 39 39 ALA CA C 13 52.17 0.20 . 1 . . . . 39 ALA CA . 17675 2 225 . 2 1 39 39 ALA CB C 13 19.21 0.20 . 1 . . . . 39 ALA CB . 17675 2 226 . 2 1 39 39 ALA N N 15 126.44 0.20 . 1 . . . . 39 ALA N . 17675 2 227 . 2 1 40 40 THR H H 1 8.23 0.02 . 1 . . . . 40 THR H . 17675 2 228 . 2 1 40 40 THR HA H 1 4.61 0.02 . 1 . . . . 40 THR HA . 17675 2 229 . 2 1 40 40 THR C C 13 173.17 0.20 . 1 . . . . 40 THR C . 17675 2 230 . 2 1 40 40 THR CA C 13 60.29 0.20 . 1 . . . . 40 THR CA . 17675 2 231 . 2 1 40 40 THR CB C 13 69.43 0.20 . 1 . . . . 40 THR CB . 17675 2 232 . 2 1 40 40 THR N N 15 116.13 0.20 . 1 . . . . 40 THR N . 17675 2 233 . 2 1 41 41 PRO C C 13 177.75 0.20 . 1 . . . . 41 PRO C . 17675 2 234 . 2 1 41 41 PRO CA C 13 64.06 0.20 . 1 . . . . 41 PRO CA . 17675 2 235 . 2 1 41 41 PRO CB C 13 32.13 0.20 . 1 . . . . 41 PRO CB . 17675 2 236 . 2 1 42 42 ALA H H 1 8.45 0.02 . 1 . . . . 42 ALA H . 17675 2 237 . 2 1 42 42 ALA HA H 1 4.16 0.02 . 1 . . . . 42 ALA HA . 17675 2 238 . 2 1 42 42 ALA C C 13 178.73 0.20 . 1 . . . . 42 ALA C . 17675 2 239 . 2 1 42 42 ALA CA C 13 53.80 0.20 . 1 . . . . 42 ALA CA . 17675 2 240 . 2 1 42 42 ALA CB C 13 19.02 0.20 . 1 . . . . 42 ALA CB . 17675 2 241 . 2 1 42 42 ALA N N 15 122.82 0.20 . 1 . . . . 42 ALA N . 17675 2 242 . 2 1 43 43 ASN H H 1 8.28 0.02 . 1 . . . . 43 ASN H . 17675 2 243 . 2 1 43 43 ASN HA H 1 4.65 0.02 . 1 . . . . 43 ASN HA . 17675 2 244 . 2 1 43 43 ASN C C 13 176.34 0.20 . 1 . . . . 43 ASN C . 17675 2 245 . 2 1 43 43 ASN CA C 13 53.93 0.20 . 1 . . . . 43 ASN CA . 17675 2 246 . 2 1 43 43 ASN CB C 13 38.37 0.20 . 1 . . . . 43 ASN CB . 17675 2 247 . 2 1 43 43 ASN N N 15 117.44 0.20 . 1 . . . . 43 ASN N . 17675 2 248 . 2 1 44 44 LEU H H 1 8.15 0.02 . 1 . . . . 44 LEU H . 17675 2 249 . 2 1 44 44 LEU HA H 1 4.22 0.02 . 1 . . . . 44 LEU HA . 17675 2 250 . 2 1 44 44 LEU C C 13 178.78 0.20 . 1 . . . . 44 LEU C . 17675 2 251 . 2 1 44 44 LEU CA C 13 56.88 0.20 . 1 . . . . 44 LEU CA . 17675 2 252 . 2 1 44 44 LEU CB C 13 41.93 0.20 . 1 . . . . 44 LEU CB . 17675 2 253 . 2 1 44 44 LEU N N 15 122.16 0.20 . 1 . . . . 44 LEU N . 17675 2 254 . 2 1 45 45 LYS C C 13 178.12 0.20 . 1 . . . . 45 LYS C . 17675 2 255 . 2 1 45 45 LYS CA C 13 58.02 0.20 . 1 . . . . 45 LYS CA . 17675 2 256 . 2 1 45 45 LYS CB C 13 32.43 0.20 . 1 . . . . 45 LYS CB . 17675 2 257 . 2 1 46 46 ALA H H 1 8.13 0.02 . 1 . . . . 46 ALA H . 17675 2 258 . 2 1 46 46 ALA HA H 1 4.23 0.02 . 1 . . . . 46 ALA HA . 17675 2 259 . 2 1 46 46 ALA C C 13 179.39 0.20 . 1 . . . . 46 ALA C . 17675 2 260 . 2 1 46 46 ALA CA C 13 53.92 0.20 . 1 . . . . 46 ALA CA . 17675 2 261 . 2 1 46 46 ALA CB C 13 18.61 0.20 . 1 . . . . 46 ALA CB . 17675 2 262 . 2 1 46 46 ALA N N 15 124.45 0.20 . 1 . . . . 46 ALA N . 17675 2 263 . 2 1 47 47 LEU H H 1 8.03 0.02 . 1 . . . . 47 LEU H . 17675 2 264 . 2 1 47 47 LEU HA H 1 4.21 0.02 . 1 . . . . 47 LEU HA . 17675 2 265 . 2 1 47 47 LEU C C 13 178.94 0.20 . 1 . . . . 47 LEU C . 17675 2 266 . 2 1 47 47 LEU CA C 13 56.66 0.20 . 1 . . . . 47 LEU CA . 17675 2 267 . 2 1 47 47 LEU CB C 13 41.85 0.20 . 1 . . . . 47 LEU CB . 17675 2 268 . 2 1 47 47 LEU N N 15 120.42 0.20 . 1 . . . . 47 LEU N . 17675 2 269 . 2 1 48 48 GLU H H 1 8.15 0.02 . 1 . . . . 48 GLU H . 17675 2 270 . 2 1 48 48 GLU HA H 1 4.15 0.02 . 1 . . . . 48 GLU HA . 17675 2 271 . 2 1 48 48 GLU C C 13 177.74 0.20 . 1 . . . . 48 GLU C . 17675 2 272 . 2 1 48 48 GLU CA C 13 58.04 0.20 . 1 . . . . 48 GLU CA . 17675 2 273 . 2 1 48 48 GLU CB C 13 29.83 0.20 . 1 . . . . 48 GLU CB . 17675 2 274 . 2 1 48 48 GLU N N 15 120.68 0.20 . 1 . . . . 48 GLU N . 17675 2 275 . 2 1 49 49 ALA H H 1 8.08 0.02 . 1 . . . . 49 ALA H . 17675 2 276 . 2 1 49 49 ALA HA H 1 4.23 0.02 . 1 . . . . 49 ALA HA . 17675 2 277 . 2 1 49 49 ALA C C 13 179.07 0.20 . 1 . . . . 49 ALA C . 17675 2 278 . 2 1 49 49 ALA CA C 13 53.78 0.20 . 1 . . . . 49 ALA CA . 17675 2 279 . 2 1 49 49 ALA CB C 13 18.69 0.20 . 1 . . . . 49 ALA CB . 17675 2 280 . 2 1 49 49 ALA N N 15 123.04 0.20 . 1 . . . . 49 ALA N . 17675 2 281 . 2 1 50 50 GLN H H 1 8.05 0.02 . 1 . . . . 50 GLN H . 17675 2 282 . 2 1 50 50 GLN HA H 1 4.21 0.02 . 1 . . . . 50 GLN HA . 17675 2 283 . 2 1 50 50 GLN C C 13 177.09 0.20 . 1 . . . . 50 GLN C . 17675 2 284 . 2 1 50 50 GLN CA C 13 56.81 0.20 . 1 . . . . 50 GLN CA . 17675 2 285 . 2 1 50 50 GLN CB C 13 29.16 0.20 . 1 . . . . 50 GLN CB . 17675 2 286 . 2 1 50 50 GLN N N 15 118.55 0.20 . 1 . . . . 50 GLN N . 17675 2 287 . 2 1 51 51 LYS H H 1 8.08 0.02 . 1 . . . . 51 LYS H . 17675 2 288 . 2 1 51 51 LYS HA H 1 4.23 0.02 . 1 . . . . 51 LYS HA . 17675 2 289 . 2 1 51 51 LYS C C 13 177.56 0.20 . 1 . . . . 51 LYS C . 17675 2 290 . 2 1 51 51 LYS CA C 13 56.66 0.20 . 1 . . . . 51 LYS CA . 17675 2 291 . 2 1 51 51 LYS CB C 13 32.84 0.20 . 1 . . . . 51 LYS CB . 17675 2 292 . 2 1 51 51 LYS N N 15 121.32 0.20 . 1 . . . . 51 LYS N . 17675 2 293 . 2 1 52 52 GLN H H 1 8.26 0.02 . 1 . . . . 52 GLN H . 17675 2 294 . 2 1 52 52 GLN HA H 1 4.23 0.02 . 1 . . . . 52 GLN HA . 17675 2 295 . 2 1 52 52 GLN C C 13 176.63 0.20 . 1 . . . . 52 GLN C . 17675 2 296 . 2 1 52 52 GLN CA C 13 56.56 0.20 . 1 . . . . 52 GLN CA . 17675 2 297 . 2 1 52 52 GLN CB C 13 29.30 0.20 . 1 . . . . 52 GLN CB . 17675 2 298 . 2 1 52 52 GLN N N 15 119.83 0.20 . 1 . . . . 52 GLN N . 17675 2 299 . 2 1 53 53 LYS H H 1 8.19 0.02 . 1 . . . . 53 LYS H . 17675 2 300 . 2 1 53 53 LYS HA H 1 4.26 0.02 . 1 . . . . 53 LYS HA . 17675 2 301 . 2 1 53 53 LYS C C 13 177.02 0.20 . 1 . . . . 53 LYS C . 17675 2 302 . 2 1 53 53 LYS CA C 13 57.02 0.20 . 1 . . . . 53 LYS CA . 17675 2 303 . 2 1 53 53 LYS CB C 13 33.13 0.20 . 1 . . . . 53 LYS CB . 17675 2 304 . 2 1 53 53 LYS N N 15 121.81 0.20 . 1 . . . . 53 LYS N . 17675 2 305 . 2 1 54 54 GLU H H 1 8.29 0.02 . 1 . . . . 54 GLU H . 17675 2 306 . 2 1 54 54 GLU HA H 1 4.28 0.02 . 1 . . . . 54 GLU HA . 17675 2 307 . 2 1 54 54 GLU C C 13 176.42 0.20 . 1 . . . . 54 GLU C . 17675 2 308 . 2 1 54 54 GLU CA C 13 56.68 0.20 . 1 . . . . 54 GLU CA . 17675 2 309 . 2 1 54 54 GLU CB C 13 30.16 0.20 . 1 . . . . 54 GLU CB . 17675 2 310 . 2 1 54 54 GLU N N 15 121.10 0.20 . 1 . . . . 54 GLU N . 17675 2 311 . 2 1 55 55 GLN H H 1 8.31 0.02 . 1 . . . . 55 GLN H . 17675 2 312 . 2 1 55 55 GLN HA H 1 4.37 0.02 . 1 . . . . 55 GLN HA . 17675 2 313 . 2 1 55 55 GLN C C 13 175.11 0.20 . 1 . . . . 55 GLN C . 17675 2 314 . 2 1 55 55 GLN CA C 13 56.10 0.20 . 1 . . . . 55 GLN CA . 17675 2 315 . 2 1 55 55 GLN CB C 13 29.55 0.20 . 1 . . . . 55 GLN CB . 17675 2 316 . 2 1 55 55 GLN N N 15 121.89 0.20 . 1 . . . . 55 GLN N . 17675 2 317 . 2 1 56 56 ARG H H 1 8.06 0.02 . 1 . . . . 56 ARG H . 17675 2 318 . 2 1 56 56 ARG HA H 1 4.21 0.02 . 1 . . . . 56 ARG HA . 17675 2 319 . 2 1 56 56 ARG N N 15 128.37 0.20 . 1 . . . . 56 ARG N . 17675 2 stop_ save_