data_15213 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15213 _Entry.Title ; Assignments of {lambda}-IntCB bound to a DNA half-site ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-16 _Entry.Accession_date 2007-04-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Protein residues 62-176 of lambda-Int, plus DNA duplex: GCTCAAGTTAGTACG' _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 Hari Kamadurai . B. . 15213 2 Mark Foster . P. . 15213 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15213 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 220 15213 '15N chemical shifts' 86 15213 '1H chemical shifts' 86 15213 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 3 . . 2010-07-14 2007-04-16 update BMRB 'update DNA residue label to two-letter code' 15213 2 . . 2009-02-04 2007-04-16 update BMRB 'Renumber residue codes in data table' 15213 1 . . 2008-02-11 2007-04-16 original author 'original release' 15213 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1p7d 'Int c75-DNA complex' 15213 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15213 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18001133 _Citation.Full_citation . _Citation.Title 'DNA recognition via mutual-induced fit by the core-binding domain of bacteriophage lambda integrase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 49 _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 13939 _Citation.Page_last 13947 _Citation.Year 2007 _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 Hari Kamadurai . B. . 15213 1 2 Mark Foster . P. . 15213 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15213 _Assembly.ID 1 _Assembly.Name 'IntCB-DNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 IntCB 1 $Protein A . yes native no no . . . 15213 1 2 DNA 2 $DNA B . no native no no . . . 15213 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Protein _Entity.Sf_category entity _Entity.Sf_framecode Protein _Entity.Entry_ID 15213 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Protein _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 ; TLHSWLDRYEKIASRGIKQK TINYMSKIAIRRGLDATTKE IAANGYIDEGKAASKLIRST LSDAFRAEGHITTHVAATRA AKSEVR ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'IntCB (62-176)' _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 . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 THR . 15213 1 2 3 LEU . 15213 1 3 4 HIS . 15213 1 4 5 SER . 15213 1 5 6 TRP . 15213 1 6 7 LEU . 15213 1 7 8 ASP . 15213 1 8 9 ARG . 15213 1 9 10 TYR . 15213 1 10 11 GLU . 15213 1 11 12 LYS . 15213 1 12 13 ILE . 15213 1 13 15 ALA . 15213 1 14 16 SER . 15213 1 15 17 ARG . 15213 1 16 18 GLY . 15213 1 17 19 ILE . 15213 1 18 20 LYS . 15213 1 19 21 GLN . 15213 1 20 22 LYS . 15213 1 21 23 THR . 15213 1 22 25 ILE . 15213 1 23 26 ASN . 15213 1 24 27 TYR . 15213 1 25 28 MET . 15213 1 26 29 SER . 15213 1 27 30 LYS . 15213 1 28 31 ILE . 15213 1 29 33 ALA . 15213 1 30 34 ILE . 15213 1 31 35 ARG . 15213 1 32 36 ARG . 15213 1 33 37 GLY . 15213 1 34 38 LEU . 15213 1 35 40 ASP . 15213 1 36 41 ALA . 15213 1 37 47 THR . 15213 1 38 48 THR . 15213 1 39 49 LYS . 15213 1 40 50 GLU . 15213 1 41 51 ILE . 15213 1 42 52 ALA . 15213 1 43 53 ALA . 15213 1 44 56 ASN . 15213 1 45 57 GLY . 15213 1 46 58 TYR . 15213 1 47 59 ILE . 15213 1 48 60 ASP . 15213 1 49 61 GLU . 15213 1 50 62 GLY . 15213 1 51 63 LYS . 15213 1 52 64 ALA . 15213 1 53 65 ALA . 15213 1 54 66 SER . 15213 1 55 68 LYS . 15213 1 56 69 LEU . 15213 1 57 70 ILE . 15213 1 58 71 ARG . 15213 1 59 72 SER . 15213 1 60 73 THR . 15213 1 61 74 LEU . 15213 1 62 75 SER . 15213 1 63 76 ASP . 15213 1 64 77 ALA . 15213 1 65 78 PHE . 15213 1 66 79 ARG . 15213 1 67 83 ALA . 15213 1 68 84 GLU . 15213 1 69 85 GLY . 15213 1 70 86 HIS . 15213 1 71 87 ILE . 15213 1 72 88 THR . 15213 1 73 89 THR . 15213 1 74 91 HIS . 15213 1 75 92 VAL . 15213 1 76 93 ALA . 15213 1 77 94 ALA . 15213 1 78 95 THR . 15213 1 79 96 ARG . 15213 1 80 97 ALA . 15213 1 81 98 ALA . 15213 1 82 99 LYS . 15213 1 83 100 SER . 15213 1 84 101 GLU . 15213 1 85 102 VAL . 15213 1 86 103 ARG . 15213 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 . THR 1 1 15213 1 . LEU 2 2 15213 1 . HIS 3 3 15213 1 . SER 4 4 15213 1 . TRP 5 5 15213 1 . LEU 6 6 15213 1 . ASP 7 7 15213 1 . ARG 8 8 15213 1 . TYR 9 9 15213 1 . GLU 10 10 15213 1 . LYS 11 11 15213 1 . ILE 12 12 15213 1 . ALA 13 13 15213 1 . SER 14 14 15213 1 . ARG 15 15 15213 1 . GLY 16 16 15213 1 . ILE 17 17 15213 1 . LYS 18 18 15213 1 . GLN 19 19 15213 1 . LYS 20 20 15213 1 . THR 21 21 15213 1 . ILE 22 22 15213 1 . ASN 23 23 15213 1 . TYR 24 24 15213 1 . MET 25 25 15213 1 . SER 26 26 15213 1 . LYS 27 27 15213 1 . ILE 28 28 15213 1 . ALA 29 29 15213 1 . ILE 30 30 15213 1 . ARG 31 31 15213 1 . ARG 32 32 15213 1 . GLY 33 33 15213 1 . LEU 34 34 15213 1 . ASP 35 35 15213 1 . ALA 36 36 15213 1 . THR 37 37 15213 1 . THR 38 38 15213 1 . LYS 39 39 15213 1 . GLU 40 40 15213 1 . ILE 41 41 15213 1 . ALA 42 42 15213 1 . ALA 43 43 15213 1 . ASN 44 44 15213 1 . GLY 45 45 15213 1 . TYR 46 46 15213 1 . ILE 47 47 15213 1 . ASP 48 48 15213 1 . GLU 49 49 15213 1 . GLY 50 50 15213 1 . LYS 51 51 15213 1 . ALA 52 52 15213 1 . ALA 53 53 15213 1 . SER 54 54 15213 1 . LYS 55 55 15213 1 . LEU 56 56 15213 1 . ILE 57 57 15213 1 . ARG 58 58 15213 1 . SER 59 59 15213 1 . THR 60 60 15213 1 . LEU 61 61 15213 1 . SER 62 62 15213 1 . ASP 63 63 15213 1 . ALA 64 64 15213 1 . PHE 65 65 15213 1 . ARG 66 66 15213 1 . ALA 67 67 15213 1 . GLU 68 68 15213 1 . GLY 69 69 15213 1 . HIS 70 70 15213 1 . ILE 71 71 15213 1 . THR 72 72 15213 1 . THR 73 73 15213 1 . HIS 74 74 15213 1 . VAL 75 75 15213 1 . ALA 76 76 15213 1 . ALA 77 77 15213 1 . THR 78 78 15213 1 . ARG 79 79 15213 1 . ALA 80 80 15213 1 . ALA 81 81 15213 1 . LYS 82 82 15213 1 . SER 83 83 15213 1 . GLU 84 84 15213 1 . VAL 85 85 15213 1 . ARG 86 86 15213 1 stop_ save_ save_DNA _Entity.Sf_category entity _Entity.Sf_framecode DNA _Entity.Entry_ID 15213 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCTCAAGGGAGTACG _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 15 _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 . 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 . DG . 15213 2 2 . DC . 15213 2 3 . DT . 15213 2 4 . DC . 15213 2 5 . DA . 15213 2 6 . DA . 15213 2 7 . DG . 15213 2 8 . DG . 15213 2 9 . DG . 15213 2 10 . DA . 15213 2 11 . DG . 15213 2 12 . DT . 15213 2 13 . DA . 15213 2 14 . DC . 15213 2 15 . DG . 15213 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DG 1 1 15213 2 . DC 2 2 15213 2 . DT 3 3 15213 2 . DC 4 4 15213 2 . DA 5 5 15213 2 . DA 6 6 15213 2 . DG 7 7 15213 2 . DG 8 8 15213 2 . DG 9 9 15213 2 . DA 10 10 15213 2 . DG 11 11 15213 2 . DT 12 12 15213 2 . DA 13 13 15213 2 . DC 14 14 15213 2 . DG 15 15 15213 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15213 _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 $Protein . 562 virus . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15213 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 15213 _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 $Protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pT7 . . . . . . 15213 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15213 _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 Protein '[U-99% 13C; U-99% 15N]' . . 1 $Protein . . 1 . . mM . . . . 15213 1 2 DNA 'natural abundance' . . 2 $DNA . . 1 . . mM . . . . 15213 1 3 TSP 'natural abundance' . . . . . . 0.02 . . % . . . . 15213 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15213 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15213 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15213 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15213 _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' 0.05 . M 15213 1 pH 7.2 . pH 15213 1 pressure 1 . atm 15213 1 temperature 298 . K 15213 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15213 _Software.ID 1 _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' . . 15213 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15213 1 processing 15213 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 15213 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15213 _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 DRX . 600 . . . 15213 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 15213 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15213 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15213 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15213 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15213 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15213 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 15213 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Referenced 1H to internal TSP, N and C indirectly' 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 . . . . . . . . . 15213 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15213 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15213 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15213 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' . . . 15213 1 3 '3D HNCACB' . . . 15213 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 THR H H 1 8.47 0.02 . 1 . . . . 2 THR H . 15213 1 2 . 1 1 1 1 THR C C 13 176.4 0.3 . 1 . . . . 2 THR C . 15213 1 3 . 1 1 1 1 THR CA C 13 60.9 0.3 . 1 . . . . 2 THR CA . 15213 1 4 . 1 1 1 1 THR CB C 13 69.1 0.3 . 1 . . . . 2 THR CB . 15213 1 5 . 1 1 1 1 THR N N 15 118.6 0.3 . 1 . . . . 2 THR N . 15213 1 6 . 1 1 2 2 LEU H H 1 9.06 0.02 . 1 . . . . 3 LEU H . 15213 1 7 . 1 1 2 2 LEU C C 13 179.0 0.3 . 1 . . . . 3 LEU C . 15213 1 8 . 1 1 2 2 LEU CA C 13 59.2 0.3 . 1 . . . . 3 LEU CA . 15213 1 9 . 1 1 2 2 LEU CB C 13 41.1 0.3 . 1 . . . . 3 LEU CB . 15213 1 10 . 1 1 2 2 LEU N N 15 120.3 0.3 . 1 . . . . 3 LEU N . 15213 1 11 . 1 1 3 3 HIS H H 1 9.49 0.02 . 1 . . . . 4 HIS H . 15213 1 12 . 1 1 3 3 HIS C C 13 178.9 0.3 . 1 . . . . 4 HIS C . 15213 1 13 . 1 1 3 3 HIS CA C 13 59.3 0.3 . 1 . . . . 4 HIS CA . 15213 1 14 . 1 1 3 3 HIS CB C 13 29.5 0.3 . 1 . . . . 4 HIS CB . 15213 1 15 . 1 1 3 3 HIS N N 15 117.8 0.3 . 1 . . . . 4 HIS N . 15213 1 16 . 1 1 4 4 SER H H 1 6.80 0.02 . 1 . . . . 5 SER H . 15213 1 17 . 1 1 4 4 SER C C 13 177.4 0.3 . 1 . . . . 5 SER C . 15213 1 18 . 1 1 4 4 SER CA C 13 61.9 0.3 . 1 . . . . 5 SER CA . 15213 1 19 . 1 1 4 4 SER CB C 13 63.0 0.3 . 1 . . . . 5 SER CB . 15213 1 20 . 1 1 4 4 SER N N 15 115.2 0.3 . 1 . . . . 5 SER N . 15213 1 21 . 1 1 5 5 TRP H H 1 8.73 0.02 . 1 . . . . 6 TRP H . 15213 1 22 . 1 1 5 5 TRP C C 13 177.9 0.3 . 1 . . . . 6 TRP C . 15213 1 23 . 1 1 5 5 TRP CA C 13 58.8 0.3 . 1 . . . . 6 TRP CA . 15213 1 24 . 1 1 5 5 TRP CB C 13 29.5 0.3 . 1 . . . . 6 TRP CB . 15213 1 25 . 1 1 5 5 TRP N N 15 124.5 0.3 . 1 . . . . 6 TRP N . 15213 1 26 . 1 1 6 6 LEU H H 1 8.69 0.02 . 1 . . . . 7 LEU H . 15213 1 27 . 1 1 6 6 LEU C C 13 179.3 0.3 . 1 . . . . 7 LEU C . 15213 1 28 . 1 1 6 6 LEU CA C 13 58.0 0.3 . 1 . . . . 7 LEU CA . 15213 1 29 . 1 1 6 6 LEU CB C 13 39.4 0.3 . 1 . . . . 7 LEU CB . 15213 1 30 . 1 1 6 6 LEU N N 15 119.5 0.3 . 1 . . . . 7 LEU N . 15213 1 31 . 1 1 7 7 ASP H H 1 7.42 0.02 . 1 . . . . 8 ASP H . 15213 1 32 . 1 1 7 7 ASP C C 13 180.5 0.3 . 1 . . . . 8 ASP C . 15213 1 33 . 1 1 7 7 ASP CA C 13 57.6 0.3 . 1 . . . . 8 ASP CA . 15213 1 34 . 1 1 7 7 ASP CB C 13 39.6 0.3 . 1 . . . . 8 ASP CB . 15213 1 35 . 1 1 7 7 ASP N N 15 118.7 0.3 . 1 . . . . 8 ASP N . 15213 1 36 . 1 1 8 8 ARG H H 1 6.92 0.02 . 1 . . . . 9 ARG H . 15213 1 37 . 1 1 8 8 ARG C C 13 175.8 0.3 . 1 . . . . 9 ARG C . 15213 1 38 . 1 1 8 8 ARG CA C 13 58.1 0.3 . 1 . . . . 9 ARG CA . 15213 1 39 . 1 1 8 8 ARG CB C 13 28.3 0.3 . 1 . . . . 9 ARG CB . 15213 1 40 . 1 1 8 8 ARG N N 15 121.4 0.3 . 1 . . . . 9 ARG N . 15213 1 41 . 1 1 9 9 TYR H H 1 8.15 0.02 . 1 . . . . 10 TYR H . 15213 1 42 . 1 1 9 9 TYR C C 13 175.9 0.3 . 1 . . . . 10 TYR C . 15213 1 43 . 1 1 9 9 TYR CA C 13 54.2 0.3 . 1 . . . . 10 TYR CA . 15213 1 44 . 1 1 9 9 TYR CB C 13 41.1 0.3 . 1 . . . . 10 TYR CB . 15213 1 45 . 1 1 9 9 TYR N N 15 120.4 0.3 . 1 . . . . 10 TYR N . 15213 1 46 . 1 1 10 10 GLU H H 1 7.29 0.02 . 1 . . . . 11 GLU H . 15213 1 47 . 1 1 10 10 GLU C C 13 175.9 0.3 . 1 . . . . 11 GLU C . 15213 1 48 . 1 1 10 10 GLU CA C 13 60.1 0.3 . 1 . . . . 11 GLU CA . 15213 1 49 . 1 1 10 10 GLU CB C 13 38.2 0.3 . 1 . . . . 11 GLU CB . 15213 1 50 . 1 1 10 10 GLU N N 15 122.9 0.3 . 1 . . . . 11 GLU N . 15213 1 51 . 1 1 11 11 LYS H H 1 8.12 0.02 . 1 . . . . 12 LYS H . 15213 1 52 . 1 1 11 11 LYS C C 13 181.2 0.3 . 1 . . . . 12 LYS C . 15213 1 53 . 1 1 11 11 LYS CA C 13 60.3 0.3 . 1 . . . . 12 LYS CA . 15213 1 54 . 1 1 11 11 LYS CB C 13 29.7 0.3 . 1 . . . . 12 LYS CB . 15213 1 55 . 1 1 11 11 LYS N N 15 117.9 0.3 . 1 . . . . 12 LYS N . 15213 1 56 . 1 1 12 12 ILE H H 1 6.88 0.02 . 1 . . . . 13 ILE H . 15213 1 57 . 1 1 12 12 ILE CA C 13 65.2 0.3 . 1 . . . . 13 ILE CA . 15213 1 58 . 1 1 12 12 ILE N N 15 118.2 0.3 . 1 . . . . 13 ILE N . 15213 1 59 . 1 1 13 13 ALA H H 1 7.28 0.02 . 1 . . . . 15 ALA H . 15213 1 60 . 1 1 13 13 ALA C C 13 181.3 0.3 . 1 . . . . 15 ALA C . 15213 1 61 . 1 1 13 13 ALA CA C 13 54.3 0.3 . 1 . . . . 15 ALA CA . 15213 1 62 . 1 1 13 13 ALA CB C 13 17.8 0.3 . 1 . . . . 15 ALA CB . 15213 1 63 . 1 1 13 13 ALA N N 15 118.2 0.3 . 1 . . . . 15 ALA N . 15213 1 64 . 1 1 14 14 SER H H 1 7.70 0.02 . 1 . . . . 16 SER H . 15213 1 65 . 1 1 14 14 SER C C 13 172.7 0.3 . 1 . . . . 16 SER C . 15213 1 66 . 1 1 14 14 SER CA C 13 59.4 0.3 . 1 . . . . 16 SER CA . 15213 1 67 . 1 1 14 14 SER CB C 13 63.9 0.3 . 1 . . . . 16 SER CB . 15213 1 68 . 1 1 14 14 SER N N 15 113.7 0.3 . 1 . . . . 16 SER N . 15213 1 69 . 1 1 15 15 ARG H H 1 7.54 0.02 . 1 . . . . 17 ARG H . 15213 1 70 . 1 1 15 15 ARG C C 13 177.2 0.3 . 1 . . . . 17 ARG C . 15213 1 71 . 1 1 15 15 ARG CA C 13 57.7 0.3 . 1 . . . . 17 ARG CA . 15213 1 72 . 1 1 15 15 ARG CB C 13 31.7 0.3 . 1 . . . . 17 ARG CB . 15213 1 73 . 1 1 15 15 ARG N N 15 122.3 0.3 . 1 . . . . 17 ARG N . 15213 1 74 . 1 1 16 16 GLY H H 1 8.42 0.02 . 1 . . . . 18 GLY H . 15213 1 75 . 1 1 16 16 GLY C C 13 173.0 0.3 . 1 . . . . 18 GLY C . 15213 1 76 . 1 1 16 16 GLY CA C 13 46.2 0.3 . 1 . . . . 18 GLY CA . 15213 1 77 . 1 1 16 16 GLY N N 15 109.1 0.3 . 1 . . . . 18 GLY N . 15213 1 78 . 1 1 17 17 ILE H H 1 7.22 0.02 . 1 . . . . 19 ILE H . 15213 1 79 . 1 1 17 17 ILE CA C 13 60.5 0.3 . 1 . . . . 19 ILE CA . 15213 1 80 . 1 1 17 17 ILE N N 15 115.1 0.3 . 1 . . . . 19 ILE N . 15213 1 81 . 1 1 18 18 LYS H H 1 9.19 0.02 . 1 . . . . 20 LYS H . 15213 1 82 . 1 1 18 18 LYS C C 13 178.3 0.3 . 1 . . . . 20 LYS C . 15213 1 83 . 1 1 18 18 LYS CA C 13 56.5 0.3 . 1 . . . . 20 LYS CA . 15213 1 84 . 1 1 18 18 LYS CB C 13 32.8 0.3 . 1 . . . . 20 LYS CB . 15213 1 85 . 1 1 18 18 LYS N N 15 123.3 0.3 . 1 . . . . 20 LYS N . 15213 1 86 . 1 1 19 19 GLN H H 1 8.75 0.02 . 1 . . . . 21 GLN H . 15213 1 87 . 1 1 19 19 GLN CA C 13 59.6 0.3 . 1 . . . . 21 GLN CA . 15213 1 88 . 1 1 19 19 GLN CB C 13 28.0 0.3 . 1 . . . . 21 GLN CB . 15213 1 89 . 1 1 19 19 GLN N N 15 122.8 0.3 . 1 . . . . 21 GLN N . 15213 1 90 . 1 1 20 20 LYS H H 1 8.89 0.02 . 1 . . . . 22 LYS H . 15213 1 91 . 1 1 20 20 LYS C C 13 179.7 0.3 . 1 . . . . 22 LYS C . 15213 1 92 . 1 1 20 20 LYS CA C 13 59.4 0.3 . 1 . . . . 22 LYS CA . 15213 1 93 . 1 1 20 20 LYS CB C 13 31.8 0.3 . 1 . . . . 22 LYS CB . 15213 1 94 . 1 1 20 20 LYS N N 15 117.2 0.3 . 1 . . . . 22 LYS N . 15213 1 95 . 1 1 21 21 THR H H 1 6.89 0.02 . 1 . . . . 23 THR H . 15213 1 96 . 1 1 21 21 THR CA C 13 58.3 0.3 . 1 . . . . 23 THR CA . 15213 1 97 . 1 1 21 21 THR N N 15 117.8 0.3 . 1 . . . . 23 THR N . 15213 1 98 . 1 1 22 22 ILE H H 1 8.42 0.02 . 1 . . . . 25 ILE H . 15213 1 99 . 1 1 22 22 ILE C C 13 180.8 0.3 . 1 . . . . 25 ILE C . 15213 1 100 . 1 1 22 22 ILE CA C 13 64.9 0.3 . 1 . . . . 25 ILE CA . 15213 1 101 . 1 1 22 22 ILE CB C 13 37.5 0.3 . 1 . . . . 25 ILE CB . 15213 1 102 . 1 1 22 22 ILE N N 15 119.6 0.3 . 1 . . . . 25 ILE N . 15213 1 103 . 1 1 23 23 ASN H H 1 7.60 0.02 . 1 . . . . 26 ASN H . 15213 1 104 . 1 1 23 23 ASN C C 13 180.9 0.3 . 1 . . . . 26 ASN C . 15213 1 105 . 1 1 23 23 ASN CA C 13 56.2 0.3 . 1 . . . . 26 ASN CA . 15213 1 106 . 1 1 23 23 ASN CB C 13 37.9 0.3 . 1 . . . . 26 ASN CB . 15213 1 107 . 1 1 23 23 ASN N N 15 120.8 0.3 . 1 . . . . 26 ASN N . 15213 1 108 . 1 1 24 24 TYR H H 1 8.50 0.02 . 1 . . . . 27 TYR H . 15213 1 109 . 1 1 24 24 TYR CA C 13 60.8 0.3 . 1 . . . . 27 TYR CA . 15213 1 110 . 1 1 24 24 TYR CB C 13 37.6 0.3 . 1 . . . . 27 TYR CB . 15213 1 111 . 1 1 24 24 TYR N N 15 121.1 0.3 . 1 . . . . 27 TYR N . 15213 1 112 . 1 1 25 25 MET H H 1 9.05 0.02 . 1 . . . . 28 MET H . 15213 1 113 . 1 1 25 25 MET C C 13 181.9 0.3 . 1 . . . . 28 MET C . 15213 1 114 . 1 1 25 25 MET CA C 13 58.2 0.3 . 1 . . . . 28 MET CA . 15213 1 115 . 1 1 25 25 MET CB C 13 30.9 0.3 . 1 . . . . 28 MET CB . 15213 1 116 . 1 1 25 25 MET N N 15 119.1 0.3 . 1 . . . . 28 MET N . 15213 1 117 . 1 1 26 26 SER H H 1 8.01 0.02 . 1 . . . . 29 SER H . 15213 1 118 . 1 1 26 26 SER C C 13 178.5 0.3 . 1 . . . . 29 SER C . 15213 1 119 . 1 1 26 26 SER CA C 13 61.4 0.3 . 1 . . . . 29 SER CA . 15213 1 120 . 1 1 26 26 SER CB C 13 62.8 0.3 . 1 . . . . 29 SER CB . 15213 1 121 . 1 1 26 26 SER N N 15 116.3 0.3 . 1 . . . . 29 SER N . 15213 1 122 . 1 1 27 27 LYS H H 1 7.73 0.02 . 1 . . . . 30 LYS H . 15213 1 123 . 1 1 27 27 LYS C C 13 182.5 0.3 . 1 . . . . 30 LYS C . 15213 1 124 . 1 1 27 27 LYS CA C 13 58.4 0.3 . 1 . . . . 30 LYS CA . 15213 1 125 . 1 1 27 27 LYS CB C 13 31.5 0.3 . 1 . . . . 30 LYS CB . 15213 1 126 . 1 1 27 27 LYS N N 15 122.5 0.3 . 1 . . . . 30 LYS N . 15213 1 127 . 1 1 28 28 ILE H H 1 7.84 0.02 . 1 . . . . 31 ILE H . 15213 1 128 . 1 1 28 28 ILE CA C 13 65.4 0.3 . 1 . . . . 31 ILE CA . 15213 1 129 . 1 1 28 28 ILE N N 15 124.4 0.3 . 1 . . . . 31 ILE N . 15213 1 130 . 1 1 29 29 ALA H H 1 7.37 0.02 . 1 . . . . 33 ALA H . 15213 1 131 . 1 1 29 29 ALA C C 13 185.0 0.3 . 1 . . . . 33 ALA C . 15213 1 132 . 1 1 29 29 ALA CA C 13 55.2 0.3 . 1 . . . . 33 ALA CA . 15213 1 133 . 1 1 29 29 ALA CB C 13 17.5 0.3 . 1 . . . . 33 ALA CB . 15213 1 134 . 1 1 29 29 ALA N N 15 121.5 0.3 . 1 . . . . 33 ALA N . 15213 1 135 . 1 1 30 30 ILE H H 1 8.05 0.02 . 1 . . . . 34 ILE H . 15213 1 136 . 1 1 30 30 ILE C C 13 176.0 0.3 . 1 . . . . 34 ILE C . 15213 1 137 . 1 1 30 30 ILE CA C 13 66.0 0.3 . 1 . . . . 34 ILE CA . 15213 1 138 . 1 1 30 30 ILE CB C 13 37.3 0.3 . 1 . . . . 34 ILE CB . 15213 1 139 . 1 1 30 30 ILE N N 15 122.1 0.3 . 1 . . . . 34 ILE N . 15213 1 140 . 1 1 31 31 ARG H H 1 8.21 0.02 . 1 . . . . 35 ARG H . 15213 1 141 . 1 1 31 31 ARG C C 13 177.8 0.3 . 1 . . . . 35 ARG C . 15213 1 142 . 1 1 31 31 ARG CA C 13 59.2 0.3 . 1 . . . . 35 ARG CA . 15213 1 143 . 1 1 31 31 ARG CB C 13 30.5 0.3 . 1 . . . . 35 ARG CB . 15213 1 144 . 1 1 31 31 ARG N N 15 118.1 0.3 . 1 . . . . 35 ARG N . 15213 1 145 . 1 1 32 32 ARG H H 1 7.48 0.02 . 1 . . . . 36 ARG H . 15213 1 146 . 1 1 32 32 ARG C C 13 179.3 0.3 . 1 . . . . 36 ARG C . 15213 1 147 . 1 1 32 32 ARG CA C 13 57.6 0.3 . 1 . . . . 36 ARG CA . 15213 1 148 . 1 1 32 32 ARG CB C 13 30.7 0.3 . 1 . . . . 36 ARG CB . 15213 1 149 . 1 1 32 32 ARG N N 15 113.3 0.3 . 1 . . . . 36 ARG N . 15213 1 150 . 1 1 33 33 GLY H H 1 7.91 0.02 . 1 . . . . 37 GLY H . 15213 1 151 . 1 1 33 33 GLY C C 13 168.9 0.3 . 1 . . . . 37 GLY C . 15213 1 152 . 1 1 33 33 GLY CA C 13 45.9 0.3 . 1 . . . . 37 GLY CA . 15213 1 153 . 1 1 33 33 GLY N N 15 106.7 0.3 . 1 . . . . 37 GLY N . 15213 1 154 . 1 1 34 34 LEU H H 1 8.19 0.02 . 1 . . . . 38 LEU H . 15213 1 155 . 1 1 34 34 LEU CA C 13 51.2 0.3 . 1 . . . . 38 LEU CA . 15213 1 156 . 1 1 34 34 LEU N N 15 122.2 0.3 . 1 . . . . 38 LEU N . 15213 1 157 . 1 1 35 35 ASP H H 1 8.23 0.02 . 1 . . . . 40 ASP H . 15213 1 158 . 1 1 35 35 ASP C C 13 173.2 0.3 . 1 . . . . 40 ASP C . 15213 1 159 . 1 1 35 35 ASP CA C 13 53.0 0.3 . 1 . . . . 40 ASP CA . 15213 1 160 . 1 1 35 35 ASP CB C 13 37.9 0.3 . 1 . . . . 40 ASP CB . 15213 1 161 . 1 1 35 35 ASP N N 15 119.6 0.3 . 1 . . . . 40 ASP N . 15213 1 162 . 1 1 36 36 ALA H H 1 7.63 0.02 . 1 . . . . 41 ALA H . 15213 1 163 . 1 1 36 36 ALA CA C 13 49.0 0.3 . 1 . . . . 41 ALA CA . 15213 1 164 . 1 1 36 36 ALA N N 15 125.8 0.3 . 1 . . . . 41 ALA N . 15213 1 165 . 1 1 37 37 THR H H 1 8.58 0.02 . 1 . . . . 47 THR H . 15213 1 166 . 1 1 37 37 THR C C 13 173.9 0.3 . 1 . . . . 47 THR C . 15213 1 167 . 1 1 37 37 THR CA C 13 60.2 0.3 . 1 . . . . 47 THR CA . 15213 1 168 . 1 1 37 37 THR CB C 13 72.0 0.3 . 1 . . . . 47 THR CB . 15213 1 169 . 1 1 37 37 THR N N 15 119.3 0.3 . 1 . . . . 47 THR N . 15213 1 170 . 1 1 38 38 THR H H 1 8.58 0.02 . 1 . . . . 48 THR H . 15213 1 171 . 1 1 38 38 THR C C 13 175.8 0.3 . 1 . . . . 48 THR C . 15213 1 172 . 1 1 38 38 THR CA C 13 66.2 0.3 . 1 . . . . 48 THR CA . 15213 1 173 . 1 1 38 38 THR CB C 13 68.4 0.3 . 1 . . . . 48 THR CB . 15213 1 174 . 1 1 38 38 THR N N 15 114.6 0.3 . 1 . . . . 48 THR N . 15213 1 175 . 1 1 39 39 LYS H H 1 7.92 0.02 . 1 . . . . 49 LYS H . 15213 1 176 . 1 1 39 39 LYS C C 13 181.2 0.3 . 1 . . . . 49 LYS C . 15213 1 177 . 1 1 39 39 LYS CA C 13 59.8 0.3 . 1 . . . . 49 LYS CA . 15213 1 178 . 1 1 39 39 LYS CB C 13 32.4 0.3 . 1 . . . . 49 LYS CB . 15213 1 179 . 1 1 39 39 LYS N N 15 121.5 0.3 . 1 . . . . 49 LYS N . 15213 1 180 . 1 1 40 40 GLU H H 1 7.88 0.02 . 1 . . . . 50 GLU H . 15213 1 181 . 1 1 40 40 GLU C C 13 182.2 0.3 . 1 . . . . 50 GLU C . 15213 1 182 . 1 1 40 40 GLU CA C 13 59.8 0.3 . 1 . . . . 50 GLU CA . 15213 1 183 . 1 1 40 40 GLU CB C 13 29.4 0.3 . 1 . . . . 50 GLU CB . 15213 1 184 . 1 1 40 40 GLU N N 15 120.7 0.3 . 1 . . . . 50 GLU N . 15213 1 185 . 1 1 41 41 ILE H H 1 7.88 0.02 . 1 . . . . 51 ILE H . 15213 1 186 . 1 1 41 41 ILE C C 13 177.4 0.3 . 1 . . . . 51 ILE C . 15213 1 187 . 1 1 41 41 ILE CA C 13 66.0 0.3 . 1 . . . . 51 ILE CA . 15213 1 188 . 1 1 41 41 ILE CB C 13 38.3 0.3 . 1 . . . . 51 ILE CB . 15213 1 189 . 1 1 41 41 ILE N N 15 121.5 0.3 . 1 . . . . 51 ILE N . 15213 1 190 . 1 1 42 42 ALA H H 1 8.72 0.02 . 1 . . . . 52 ALA H . 15213 1 191 . 1 1 42 42 ALA C C 13 184.3 0.3 . 1 . . . . 52 ALA C . 15213 1 192 . 1 1 42 42 ALA CA C 13 55.2 0.3 . 1 . . . . 52 ALA CA . 15213 1 193 . 1 1 42 42 ALA CB C 13 17.5 0.3 . 1 . . . . 52 ALA CB . 15213 1 194 . 1 1 42 42 ALA N N 15 121.8 0.3 . 1 . . . . 52 ALA N . 15213 1 195 . 1 1 43 43 ALA H H 1 7.47 0.02 . 1 . . . . 53 ALA H . 15213 1 196 . 1 1 43 43 ALA CA C 13 58.7 0.3 . 1 . . . . 53 ALA CA . 15213 1 197 . 1 1 43 43 ALA N N 15 119.4 0.3 . 1 . . . . 53 ALA N . 15213 1 198 . 1 1 44 44 ASN H H 1 9.22 0.02 . 1 . . . . 56 ASN H . 15213 1 199 . 1 1 44 44 ASN C C 13 177.9 0.3 . 1 . . . . 56 ASN C . 15213 1 200 . 1 1 44 44 ASN CA C 13 55.6 0.3 . 1 . . . . 56 ASN CA . 15213 1 201 . 1 1 44 44 ASN CB C 13 37.4 0.3 . 1 . . . . 56 ASN CB . 15213 1 202 . 1 1 44 44 ASN N N 15 118.7 0.3 . 1 . . . . 56 ASN N . 15213 1 203 . 1 1 45 45 GLY H H 1 7.70 0.02 . 1 . . . . 57 GLY H . 15213 1 204 . 1 1 45 45 GLY C C 13 175.0 0.3 . 1 . . . . 57 GLY C . 15213 1 205 . 1 1 45 45 GLY CA C 13 47.1 0.3 . 1 . . . . 57 GLY CA . 15213 1 206 . 1 1 45 45 GLY N N 15 107.3 0.3 . 1 . . . . 57 GLY N . 15213 1 207 . 1 1 46 46 TYR H H 1 7.20 0.02 . 1 . . . . 58 TYR H . 15213 1 208 . 1 1 46 46 TYR C C 13 180.2 0.3 . 1 . . . . 58 TYR C . 15213 1 209 . 1 1 46 46 TYR CA C 13 62.0 0.3 . 1 . . . . 58 TYR CA . 15213 1 210 . 1 1 46 46 TYR CB C 13 38.5 0.3 . 1 . . . . 58 TYR CB . 15213 1 211 . 1 1 46 46 TYR N N 15 119.1 0.3 . 1 . . . . 58 TYR N . 15213 1 212 . 1 1 47 47 ILE H H 1 8.07 0.02 . 1 . . . . 59 ILE H . 15213 1 213 . 1 1 47 47 ILE C C 13 183.4 0.3 . 1 . . . . 59 ILE C . 15213 1 214 . 1 1 47 47 ILE CA C 13 66.0 0.3 . 1 . . . . 59 ILE CA . 15213 1 215 . 1 1 47 47 ILE N N 15 122.0 0.3 . 1 . . . . 59 ILE N . 15213 1 216 . 1 1 48 48 ASP H H 1 8.94 0.02 . 1 . . . . 60 ASP H . 15213 1 217 . 1 1 48 48 ASP C C 13 178.3 0.3 . 1 . . . . 60 ASP C . 15213 1 218 . 1 1 48 48 ASP CA C 13 57.0 0.3 . 1 . . . . 60 ASP CA . 15213 1 219 . 1 1 48 48 ASP CB C 13 40.0 0.3 . 1 . . . . 60 ASP CB . 15213 1 220 . 1 1 48 48 ASP N N 15 122.5 0.3 . 1 . . . . 60 ASP N . 15213 1 221 . 1 1 49 49 GLU H H 1 7.22 0.02 . 1 . . . . 61 GLU H . 15213 1 222 . 1 1 49 49 GLU C C 13 175.7 0.3 . 1 . . . . 61 GLU C . 15213 1 223 . 1 1 49 49 GLU CA C 13 56.0 0.3 . 1 . . . . 61 GLU CA . 15213 1 224 . 1 1 49 49 GLU CB C 13 30.1 0.3 . 1 . . . . 61 GLU CB . 15213 1 225 . 1 1 49 49 GLU N N 15 117.4 0.3 . 1 . . . . 61 GLU N . 15213 1 226 . 1 1 50 50 GLY H H 1 8.07 0.02 . 1 . . . . 62 GLY H . 15213 1 227 . 1 1 50 50 GLY C C 13 173.6 0.3 . 1 . . . . 62 GLY C . 15213 1 228 . 1 1 50 50 GLY CA C 13 45.7 0.3 . 1 . . . . 62 GLY CA . 15213 1 229 . 1 1 50 50 GLY N N 15 108.5 0.3 . 1 . . . . 62 GLY N . 15213 1 230 . 1 1 51 51 LYS H H 1 8.13 0.02 . 1 . . . . 63 LYS H . 15213 1 231 . 1 1 51 51 LYS C C 13 176.8 0.3 . 1 . . . . 63 LYS C . 15213 1 232 . 1 1 51 51 LYS CA C 13 54.1 0.3 . 1 . . . . 63 LYS CA . 15213 1 233 . 1 1 51 51 LYS N N 15 122.7 0.3 . 1 . . . . 63 LYS N . 15213 1 234 . 1 1 52 52 ALA H H 1 7.92 0.02 . 1 . . . . 64 ALA H . 15213 1 235 . 1 1 52 52 ALA C C 13 183.4 0.3 . 1 . . . . 64 ALA C . 15213 1 236 . 1 1 52 52 ALA CA C 13 55.5 0.3 . 1 . . . . 64 ALA CA . 15213 1 237 . 1 1 52 52 ALA CB C 13 18.5 0.3 . 1 . . . . 64 ALA CB . 15213 1 238 . 1 1 52 52 ALA N N 15 124.4 0.3 . 1 . . . . 64 ALA N . 15213 1 239 . 1 1 53 53 ALA H H 1 8.99 0.02 . 1 . . . . 65 ALA H . 15213 1 240 . 1 1 53 53 ALA C C 13 184.6 0.3 . 1 . . . . 65 ALA C . 15213 1 241 . 1 1 53 53 ALA CA C 13 55.5 0.3 . 1 . . . . 65 ALA CA . 15213 1 242 . 1 1 53 53 ALA CB C 13 17.6 0.3 . 1 . . . . 65 ALA CB . 15213 1 243 . 1 1 53 53 ALA N N 15 122.3 0.3 . 1 . . . . 65 ALA N . 15213 1 244 . 1 1 54 54 SER H H 1 7.99 0.02 . 1 . . . . 66 SER H . 15213 1 245 . 1 1 54 54 SER CA C 13 62.5 0.3 . 1 . . . . 66 SER CA . 15213 1 246 . 1 1 54 54 SER N N 15 115.9 0.3 . 1 . . . . 66 SER N . 15213 1 247 . 1 1 55 55 LYS H H 1 7.77 0.02 . 1 . . . . 68 LYS H . 15213 1 248 . 1 1 55 55 LYS C C 13 180.9 0.3 . 1 . . . . 68 LYS C . 15213 1 249 . 1 1 55 55 LYS CA C 13 60.0 0.3 . 1 . . . . 68 LYS CA . 15213 1 250 . 1 1 55 55 LYS CB C 13 32.4 0.3 . 1 . . . . 68 LYS CB . 15213 1 251 . 1 1 55 55 LYS N N 15 118.0 0.3 . 1 . . . . 68 LYS N . 15213 1 252 . 1 1 56 56 LEU H H 1 7.41 0.02 . 1 . . . . 69 LEU H . 15213 1 253 . 1 1 56 56 LEU C C 13 184.2 0.3 . 1 . . . . 69 LEU C . 15213 1 254 . 1 1 56 56 LEU CA C 13 57.0 0.3 . 1 . . . . 69 LEU CA . 15213 1 255 . 1 1 56 56 LEU CB C 13 41.8 0.3 . 1 . . . . 69 LEU CB . 15213 1 256 . 1 1 56 56 LEU N N 15 119.8 0.3 . 1 . . . . 69 LEU N . 15213 1 257 . 1 1 57 57 ILE H H 1 8.66 0.02 . 1 . . . . 70 ILE H . 15213 1 258 . 1 1 57 57 ILE C C 13 177.1 0.3 . 1 . . . . 70 ILE C . 15213 1 259 . 1 1 57 57 ILE CA C 13 66.1 0.3 . 1 . . . . 70 ILE CA . 15213 1 260 . 1 1 57 57 ILE N N 15 123.8 0.3 . 1 . . . . 70 ILE N . 15213 1 261 . 1 1 58 58 ARG H H 1 8.28 0.02 . 1 . . . . 71 ARG H . 15213 1 262 . 1 1 58 58 ARG C C 13 178.9 0.3 . 1 . . . . 71 ARG C . 15213 1 263 . 1 1 58 58 ARG CA C 13 60.6 0.3 . 1 . . . . 71 ARG CA . 15213 1 264 . 1 1 58 58 ARG CB C 13 29.3 0.3 . 1 . . . . 71 ARG CB . 15213 1 265 . 1 1 58 58 ARG N N 15 120.4 0.3 . 1 . . . . 71 ARG N . 15213 1 266 . 1 1 59 59 SER H H 1 8.14 0.02 . 1 . . . . 72 SER H . 15213 1 267 . 1 1 59 59 SER C C 13 178.1 0.3 . 1 . . . . 72 SER C . 15213 1 268 . 1 1 59 59 SER CA C 13 62.1 0.3 . 1 . . . . 72 SER CA . 15213 1 269 . 1 1 59 59 SER N N 15 114.6 0.3 . 1 . . . . 72 SER N . 15213 1 270 . 1 1 60 60 THR H H 1 8.03 0.02 . 1 . . . . 73 THR H . 15213 1 271 . 1 1 60 60 THR C C 13 173.4 0.3 . 1 . . . . 73 THR C . 15213 1 272 . 1 1 60 60 THR CA C 13 67.4 0.3 . 1 . . . . 73 THR CA . 15213 1 273 . 1 1 60 60 THR N N 15 121.8 0.3 . 1 . . . . 73 THR N . 15213 1 274 . 1 1 61 61 LEU H H 1 8.52 0.02 . 1 . . . . 74 LEU H . 15213 1 275 . 1 1 61 61 LEU C C 13 178.6 0.3 . 1 . . . . 74 LEU C . 15213 1 276 . 1 1 61 61 LEU CA C 13 57.6 0.3 . 1 . . . . 74 LEU CA . 15213 1 277 . 1 1 61 61 LEU CB C 13 41.5 0.3 . 1 . . . . 74 LEU CB . 15213 1 278 . 1 1 61 61 LEU N N 15 122.2 0.3 . 1 . . . . 74 LEU N . 15213 1 279 . 1 1 62 62 SER H H 1 8.54 0.02 . 1 . . . . 75 SER H . 15213 1 280 . 1 1 62 62 SER C C 13 177.4 0.3 . 1 . . . . 75 SER C . 15213 1 281 . 1 1 62 62 SER CA C 13 61.7 0.3 . 1 . . . . 75 SER CA . 15213 1 282 . 1 1 62 62 SER CB C 13 63.0 0.3 . 1 . . . . 75 SER CB . 15213 1 283 . 1 1 62 62 SER N N 15 112.7 0.3 . 1 . . . . 75 SER N . 15213 1 284 . 1 1 63 63 ASP H H 1 8.01 0.02 . 1 . . . . 76 ASP H . 15213 1 285 . 1 1 63 63 ASP C C 13 178.2 0.3 . 1 . . . . 76 ASP C . 15213 1 286 . 1 1 63 63 ASP CA C 13 58.1 0.3 . 1 . . . . 76 ASP CA . 15213 1 287 . 1 1 63 63 ASP N N 15 121.3 0.3 . 1 . . . . 76 ASP N . 15213 1 288 . 1 1 64 64 ALA H H 1 8.49 0.02 . 1 . . . . 77 ALA H . 15213 1 289 . 1 1 64 64 ALA C C 13 187.2 0.3 . 1 . . . . 77 ALA C . 15213 1 290 . 1 1 64 64 ALA CA C 13 55.6 0.3 . 1 . . . . 77 ALA CA . 15213 1 291 . 1 1 64 64 ALA CB C 13 16.1 0.3 . 1 . . . . 77 ALA CB . 15213 1 292 . 1 1 64 64 ALA N N 15 121.3 0.3 . 1 . . . . 77 ALA N . 15213 1 293 . 1 1 65 65 PHE H H 1 8.67 0.02 . 1 . . . . 78 PHE H . 15213 1 294 . 1 1 65 65 PHE C C 13 180.2 0.3 . 1 . . . . 78 PHE C . 15213 1 295 . 1 1 65 65 PHE CA C 13 60.8 0.3 . 1 . . . . 78 PHE CA . 15213 1 296 . 1 1 65 65 PHE N N 15 120.9 0.3 . 1 . . . . 78 PHE N . 15213 1 297 . 1 1 66 66 ARG H H 1 8.79 0.02 . 1 . . . . 79 ARG H . 15213 1 298 . 1 1 66 66 ARG CA C 13 60.0 0.3 . 1 . . . . 79 ARG CA . 15213 1 299 . 1 1 66 66 ARG N N 15 123.3 0.3 . 1 . . . . 79 ARG N . 15213 1 300 . 1 1 67 67 ALA H H 1 7.76 0.02 . 1 . . . . 83 ALA H . 15213 1 301 . 1 1 67 67 ALA C C 13 182.2 0.3 . 1 . . . . 83 ALA C . 15213 1 302 . 1 1 67 67 ALA CA C 13 55.0 0.3 . 1 . . . . 83 ALA CA . 15213 1 303 . 1 1 67 67 ALA CB C 13 17.5 0.3 . 1 . . . . 83 ALA CB . 15213 1 304 . 1 1 67 67 ALA N N 15 124.8 0.3 . 1 . . . . 83 ALA N . 15213 1 305 . 1 1 68 68 GLU H H 1 7.40 0.02 . 1 . . . . 84 GLU H . 15213 1 306 . 1 1 68 68 GLU C C 13 175.1 0.3 . 1 . . . . 84 GLU C . 15213 1 307 . 1 1 68 68 GLU CA C 13 56.8 0.3 . 1 . . . . 84 GLU CA . 15213 1 308 . 1 1 68 68 GLU CB C 13 30.2 0.3 . 1 . . . . 84 GLU CB . 15213 1 309 . 1 1 68 68 GLU N N 15 115.1 0.3 . 1 . . . . 84 GLU N . 15213 1 310 . 1 1 69 69 GLY H H 1 7.62 0.02 . 1 . . . . 85 GLY H . 15213 1 311 . 1 1 69 69 GLY CA C 13 45.4 0.3 . 1 . . . . 85 GLY CA . 15213 1 312 . 1 1 69 69 GLY N N 15 106.7 0.3 . 1 . . . . 85 GLY N . 15213 1 313 . 1 1 70 70 HIS H H 1 7.59 0.02 . 1 . . . . 86 HIS H . 15213 1 314 . 1 1 70 70 HIS C C 13 172.9 0.3 . 1 . . . . 86 HIS C . 15213 1 315 . 1 1 70 70 HIS CA C 13 58.0 0.3 . 1 . . . . 86 HIS CA . 15213 1 316 . 1 1 70 70 HIS CB C 13 32.4 0.3 . 1 . . . . 86 HIS CB . 15213 1 317 . 1 1 70 70 HIS N N 15 117.9 0.3 . 1 . . . . 86 HIS N . 15213 1 318 . 1 1 71 71 ILE H H 1 7.03 0.02 . 1 . . . . 87 ILE H . 15213 1 319 . 1 1 71 71 ILE C C 13 173.3 0.3 . 1 . . . . 87 ILE C . 15213 1 320 . 1 1 71 71 ILE CA C 13 59.2 0.3 . 1 . . . . 87 ILE CA . 15213 1 321 . 1 1 71 71 ILE N N 15 110.6 0.3 . 1 . . . . 87 ILE N . 15213 1 322 . 1 1 72 72 THR H H 1 8.56 0.02 . 1 . . . . 88 THR H . 15213 1 323 . 1 1 72 72 THR C C 13 172.2 0.3 . 1 . . . . 88 THR C . 15213 1 324 . 1 1 72 72 THR CA C 13 62.2 0.3 . 1 . . . . 88 THR CA . 15213 1 325 . 1 1 72 72 THR CB C 13 70.3 0.3 . 1 . . . . 88 THR CB . 15213 1 326 . 1 1 72 72 THR N N 15 110.4 0.3 . 1 . . . . 88 THR N . 15213 1 327 . 1 1 73 73 THR H H 1 7.49 0.02 . 1 . . . . 89 THR H . 15213 1 328 . 1 1 73 73 THR CA C 13 61.6 0.3 . 1 . . . . 89 THR CA . 15213 1 329 . 1 1 73 73 THR N N 15 116.6 0.3 . 1 . . . . 89 THR N . 15213 1 330 . 1 1 74 74 HIS H H 1 8.10 0.02 . 1 . . . . 91 HIS H . 15213 1 331 . 1 1 74 74 HIS C C 13 175.5 0.3 . 1 . . . . 91 HIS C . 15213 1 332 . 1 1 74 74 HIS CA C 13 57.7 0.3 . 1 . . . . 91 HIS CA . 15213 1 333 . 1 1 74 74 HIS CB C 13 30.7 0.3 . 1 . . . . 91 HIS CB . 15213 1 334 . 1 1 74 74 HIS N N 15 123.4 0.3 . 1 . . . . 91 HIS N . 15213 1 335 . 1 1 75 75 VAL H H 1 7.98 0.02 . 1 . . . . 92 VAL H . 15213 1 336 . 1 1 75 75 VAL C C 13 176.7 0.3 . 1 . . . . 92 VAL C . 15213 1 337 . 1 1 75 75 VAL CA C 13 63.8 0.3 . 1 . . . . 92 VAL CA . 15213 1 338 . 1 1 75 75 VAL CB C 13 31.0 0.3 . 1 . . . . 92 VAL CB . 15213 1 339 . 1 1 75 75 VAL N N 15 118.5 0.3 . 1 . . . . 92 VAL N . 15213 1 340 . 1 1 76 76 ALA H H 1 7.39 0.02 . 1 . . . . 93 ALA H . 15213 1 341 . 1 1 76 76 ALA C C 13 178.2 0.3 . 1 . . . . 93 ALA C . 15213 1 342 . 1 1 76 76 ALA CA C 13 53.3 0.3 . 1 . . . . 93 ALA CA . 15213 1 343 . 1 1 76 76 ALA CB C 13 18.4 0.3 . 1 . . . . 93 ALA CB . 15213 1 344 . 1 1 76 76 ALA N N 15 124.4 0.3 . 1 . . . . 93 ALA N . 15213 1 345 . 1 1 77 77 ALA H H 1 7.70 0.02 . 1 . . . . 94 ALA H . 15213 1 346 . 1 1 77 77 ALA C C 13 179.0 0.3 . 1 . . . . 94 ALA C . 15213 1 347 . 1 1 77 77 ALA CA C 13 52.4 0.3 . 1 . . . . 94 ALA CA . 15213 1 348 . 1 1 77 77 ALA CB C 13 19.1 0.3 . 1 . . . . 94 ALA CB . 15213 1 349 . 1 1 77 77 ALA N N 15 120.8 0.3 . 1 . . . . 94 ALA N . 15213 1 350 . 1 1 78 78 THR H H 1 7.88 0.02 . 1 . . . . 95 THR H . 15213 1 351 . 1 1 78 78 THR C C 13 172.2 0.3 . 1 . . . . 95 THR C . 15213 1 352 . 1 1 78 78 THR CA C 13 62.2 0.3 . 1 . . . . 95 THR CA . 15213 1 353 . 1 1 78 78 THR CB C 13 70.0 0.3 . 1 . . . . 95 THR CB . 15213 1 354 . 1 1 78 78 THR N N 15 113.0 0.3 . 1 . . . . 95 THR N . 15213 1 355 . 1 1 79 79 ARG H H 1 8.28 0.02 . 1 . . . . 96 ARG H . 15213 1 356 . 1 1 79 79 ARG C C 13 174.4 0.3 . 1 . . . . 96 ARG C . 15213 1 357 . 1 1 79 79 ARG CA C 13 55.8 0.3 . 1 . . . . 96 ARG CA . 15213 1 358 . 1 1 79 79 ARG CB C 13 31.1 0.3 . 1 . . . . 96 ARG CB . 15213 1 359 . 1 1 79 79 ARG N N 15 123.7 0.3 . 1 . . . . 96 ARG N . 15213 1 360 . 1 1 80 80 ALA H H 1 8.38 0.02 . 1 . . . . 97 ALA H . 15213 1 361 . 1 1 80 80 ALA C C 13 176.7 0.3 . 1 . . . . 97 ALA C . 15213 1 362 . 1 1 80 80 ALA CA C 13 52.1 0.3 . 1 . . . . 97 ALA CA . 15213 1 363 . 1 1 80 80 ALA CB C 13 18.9 0.3 . 1 . . . . 97 ALA CB . 15213 1 364 . 1 1 80 80 ALA N N 15 126.1 0.3 . 1 . . . . 97 ALA N . 15213 1 365 . 1 1 81 81 ALA H H 1 8.16 0.02 . 1 . . . . 98 ALA H . 15213 1 366 . 1 1 81 81 ALA C C 13 178.0 0.3 . 1 . . . . 98 ALA C . 15213 1 367 . 1 1 81 81 ALA CA C 13 52.2 0.3 . 1 . . . . 98 ALA CA . 15213 1 368 . 1 1 81 81 ALA CB C 13 19.5 0.3 . 1 . . . . 98 ALA CB . 15213 1 369 . 1 1 81 81 ALA N N 15 124.0 0.3 . 1 . . . . 98 ALA N . 15213 1 370 . 1 1 82 82 LYS H H 1 8.33 0.02 . 1 . . . . 99 LYS H . 15213 1 371 . 1 1 82 82 LYS C C 13 176.2 0.3 . 1 . . . . 99 LYS C . 15213 1 372 . 1 1 82 82 LYS CA C 13 56.3 0.3 . 1 . . . . 99 LYS CA . 15213 1 373 . 1 1 82 82 LYS CB C 13 33.0 0.3 . 1 . . . . 99 LYS CB . 15213 1 374 . 1 1 82 82 LYS N N 15 121.3 0.3 . 1 . . . . 99 LYS N . 15213 1 375 . 1 1 83 83 SER H H 1 8.33 0.02 . 1 . . . . 100 SER H . 15213 1 376 . 1 1 83 83 SER C C 13 171.8 0.3 . 1 . . . . 100 SER C . 15213 1 377 . 1 1 83 83 SER CA C 13 58.2 0.3 . 1 . . . . 100 SER CA . 15213 1 378 . 1 1 83 83 SER CB C 13 63.7 0.3 . 1 . . . . 100 SER CB . 15213 1 379 . 1 1 83 83 SER N N 15 117.8 0.3 . 1 . . . . 100 SER N . 15213 1 380 . 1 1 84 84 GLU H H 1 8.45 0.02 . 1 . . . . 101 GLU H . 15213 1 381 . 1 1 84 84 GLU C C 13 175.2 0.3 . 1 . . . . 101 GLU C . 15213 1 382 . 1 1 84 84 GLU CA C 13 56.3 0.3 . 1 . . . . 101 GLU CA . 15213 1 383 . 1 1 84 84 GLU CB C 13 30.3 0.3 . 1 . . . . 101 GLU CB . 15213 1 384 . 1 1 84 84 GLU N N 15 123.8 0.3 . 1 . . . . 101 GLU N . 15213 1 385 . 1 1 85 85 VAL H H 1 8.18 0.02 . 1 . . . . 102 VAL H . 15213 1 386 . 1 1 85 85 VAL C C 13 173.4 0.3 . 1 . . . . 102 VAL C . 15213 1 387 . 1 1 85 85 VAL CA C 13 62.5 0.3 . 1 . . . . 102 VAL CA . 15213 1 388 . 1 1 85 85 VAL CB C 13 32.4 0.3 . 1 . . . . 102 VAL CB . 15213 1 389 . 1 1 85 85 VAL N N 15 122.7 0.3 . 1 . . . . 102 VAL N . 15213 1 390 . 1 1 86 86 ARG H H 1 7.96 0.02 . 1 . . . . 103 ARG H . 15213 1 391 . 1 1 86 86 ARG CA C 13 57.3 0.3 . 1 . . . . 103 ARG CA . 15213 1 392 . 1 1 86 86 ARG N N 15 109.2 0.3 . 1 . . . . 103 ARG N . 15213 1 stop_ save_