data_16131 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16131 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Colicin N Tdomain residues 40-76 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-23 _Entry.Accession_date 2009-01-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Geoffrey Moore . . . 16131 2 Hecht Oliver . . . 16131 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16131 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 104 16131 '15N chemical shifts' 35 16131 '1H chemical shifts' 35 16131 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 . . 2009-05-05 2009-01-23 update BMRB 'complete entry citation' 16131 1 . . 2009-03-30 2009-01-23 original author 'original release' 16131 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16130 'Tdom 40-76 TolAIII complex' 16131 BMRB 16133 TolAIII 16131 BMRB 16134 TolAIII+tdom 16131 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16131 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19306883 _Citation.Full_citation . _Citation.Title 'A common interaction for the entry of colicin N and filamentous phage into Escherichia coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 388 _Citation.Journal_issue 4 _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 880 _Citation.Page_last 893 _Citation.Year 2009 _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 Oliver Hecht . . . 16131 1 2 Helen Ridley . . . 16131 1 3 Jeremy Lakey H. . . 16131 1 4 Geoffrey Moore R. . . 16131 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16131 _Assembly.ID 1 _Assembly.Name Tdom40-76 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tdom40-76 1 $Tdom40-47 A . yes native no no . . . 16131 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tdom40-47 _Entity.Sf_category entity _Entity.Sf_framecode Tdom40-47 _Entity.Entry_ID 16131 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tdom40-47 _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 ; MGSNGADNAHNNAFGGGKNP GIGNTSGAGSNGSASSNRGN SNGWSWSNKPHKNDGFHSDG SYHITFHGDNNSKPKPGGNS GNRGNNGDGA ; _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 90 _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 15506 . Colicin_N_T_domain . . . . . 98.89 90 100.00 100.00 4.22e-49 . . . . 16131 1 2 no BMRB 16130 . Tdom40-76 . . . . . 100.00 90 100.00 100.00 2.93e-50 . . . . 16131 1 3 no EMBL CAA68592 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16131 1 4 no EMBL CTB58308 . "colicin E1 protein [Shigella sonnei]" . . . . . 100.00 387 98.89 100.00 1.04e-50 . . . . 16131 1 5 no GB EMX27764 . "colicin-N [Escherichia coli MP021561.2]" . . . . . 100.00 387 100.00 100.00 3.42e-51 . . . . 16131 1 6 no GB EMZ96444 . "colicin-N [Escherichia coli P0299917.1]" . . . . . 100.00 387 100.00 100.00 3.45e-51 . . . . 16131 1 7 no GB KHH25654 . "colicin-N [Escherichia coli]" . . . . . 100.00 387 98.89 100.00 1.01e-50 . . . . 16131 1 8 no GB KHH41883 . "colicin-N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16131 1 9 no GB KHH74941 . "colicin-N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16131 1 10 no REF WP_001749638 . "colicin N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.45e-51 . . . . 16131 1 11 no REF WP_004026235 . "colicin N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.42e-51 . . . . 16131 1 12 no REF WP_024139131 . "colicin N [Salmonella enterica]" . . . . . 100.00 387 98.89 100.00 1.17e-50 . . . . 16131 1 13 no REF WP_032488335 . "colicin N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16131 1 14 no REF WP_040089861 . "MULTISPECIES: colicin N [Enterobacteriaceae]" . . . . . 100.00 387 98.89 100.00 1.04e-50 . . . . 16131 1 15 no SP P08083 . "RecName: Full=Colicin-N" . . . . . 100.00 387 100.00 100.00 3.38e-51 . . . . 16131 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 . 16131 1 2 . GLY . 16131 1 3 . SER . 16131 1 4 . ASN . 16131 1 5 . GLY . 16131 1 6 . ALA . 16131 1 7 . ASP . 16131 1 8 . ASN . 16131 1 9 . ALA . 16131 1 10 . HIS . 16131 1 11 . ASN . 16131 1 12 . ASN . 16131 1 13 . ALA . 16131 1 14 . PHE . 16131 1 15 . GLY . 16131 1 16 . GLY . 16131 1 17 . GLY . 16131 1 18 . LYS . 16131 1 19 . ASN . 16131 1 20 . PRO . 16131 1 21 . GLY . 16131 1 22 . ILE . 16131 1 23 . GLY . 16131 1 24 . ASN . 16131 1 25 . THR . 16131 1 26 . SER . 16131 1 27 . GLY . 16131 1 28 . ALA . 16131 1 29 . GLY . 16131 1 30 . SER . 16131 1 31 . ASN . 16131 1 32 . GLY . 16131 1 33 . SER . 16131 1 34 . ALA . 16131 1 35 . SER . 16131 1 36 . SER . 16131 1 37 . ASN . 16131 1 38 . ARG . 16131 1 39 . GLY . 16131 1 40 . ASN . 16131 1 41 . SER . 16131 1 42 . ASN . 16131 1 43 . GLY . 16131 1 44 . TRP . 16131 1 45 . SER . 16131 1 46 . TRP . 16131 1 47 . SER . 16131 1 48 . ASN . 16131 1 49 . LYS . 16131 1 50 . PRO . 16131 1 51 . HIS . 16131 1 52 . LYS . 16131 1 53 . ASN . 16131 1 54 . ASP . 16131 1 55 . GLY . 16131 1 56 . PHE . 16131 1 57 . HIS . 16131 1 58 . SER . 16131 1 59 . ASP . 16131 1 60 . GLY . 16131 1 61 . SER . 16131 1 62 . TYR . 16131 1 63 . HIS . 16131 1 64 . ILE . 16131 1 65 . THR . 16131 1 66 . PHE . 16131 1 67 . HIS . 16131 1 68 . GLY . 16131 1 69 . ASP . 16131 1 70 . ASN . 16131 1 71 . ASN . 16131 1 72 . SER . 16131 1 73 . LYS . 16131 1 74 . PRO . 16131 1 75 . LYS . 16131 1 76 . PRO . 16131 1 77 . GLY . 16131 1 78 . GLY . 16131 1 79 . ASN . 16131 1 80 . SER . 16131 1 81 . GLY . 16131 1 82 . ASN . 16131 1 83 . ARG . 16131 1 84 . GLY . 16131 1 85 . ASN . 16131 1 86 . ASN . 16131 1 87 . GLY . 16131 1 88 . ASP . 16131 1 89 . GLY . 16131 1 90 . ALA . 16131 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 16131 1 . GLY 2 2 16131 1 . SER 3 3 16131 1 . ASN 4 4 16131 1 . GLY 5 5 16131 1 . ALA 6 6 16131 1 . ASP 7 7 16131 1 . ASN 8 8 16131 1 . ALA 9 9 16131 1 . HIS 10 10 16131 1 . ASN 11 11 16131 1 . ASN 12 12 16131 1 . ALA 13 13 16131 1 . PHE 14 14 16131 1 . GLY 15 15 16131 1 . GLY 16 16 16131 1 . GLY 17 17 16131 1 . LYS 18 18 16131 1 . ASN 19 19 16131 1 . PRO 20 20 16131 1 . GLY 21 21 16131 1 . ILE 22 22 16131 1 . GLY 23 23 16131 1 . ASN 24 24 16131 1 . THR 25 25 16131 1 . SER 26 26 16131 1 . GLY 27 27 16131 1 . ALA 28 28 16131 1 . GLY 29 29 16131 1 . SER 30 30 16131 1 . ASN 31 31 16131 1 . GLY 32 32 16131 1 . SER 33 33 16131 1 . ALA 34 34 16131 1 . SER 35 35 16131 1 . SER 36 36 16131 1 . ASN 37 37 16131 1 . ARG 38 38 16131 1 . GLY 39 39 16131 1 . ASN 40 40 16131 1 . SER 41 41 16131 1 . ASN 42 42 16131 1 . GLY 43 43 16131 1 . TRP 44 44 16131 1 . SER 45 45 16131 1 . TRP 46 46 16131 1 . SER 47 47 16131 1 . ASN 48 48 16131 1 . LYS 49 49 16131 1 . PRO 50 50 16131 1 . HIS 51 51 16131 1 . LYS 52 52 16131 1 . ASN 53 53 16131 1 . ASP 54 54 16131 1 . GLY 55 55 16131 1 . PHE 56 56 16131 1 . HIS 57 57 16131 1 . SER 58 58 16131 1 . ASP 59 59 16131 1 . GLY 60 60 16131 1 . SER 61 61 16131 1 . TYR 62 62 16131 1 . HIS 63 63 16131 1 . ILE 64 64 16131 1 . THR 65 65 16131 1 . PHE 66 66 16131 1 . HIS 67 67 16131 1 . GLY 68 68 16131 1 . ASP 69 69 16131 1 . ASN 70 70 16131 1 . ASN 71 71 16131 1 . SER 72 72 16131 1 . LYS 73 73 16131 1 . PRO 74 74 16131 1 . LYS 75 75 16131 1 . PRO 76 76 16131 1 . GLY 77 77 16131 1 . GLY 78 78 16131 1 . ASN 79 79 16131 1 . SER 80 80 16131 1 . GLY 81 81 16131 1 . ASN 82 82 16131 1 . ARG 83 83 16131 1 . GLY 84 84 16131 1 . ASN 85 85 16131 1 . ASN 86 86 16131 1 . GLY 87 87 16131 1 . ASP 88 88 16131 1 . GLY 89 89 16131 1 . ALA 90 90 16131 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 16131 _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 $Tdom40-47 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16131 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 16131 _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 $Tdom40-47 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . ptoletdom . . . . . . 16131 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16131 _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 Tdom40-47 '[U-100% 13C; U-100% 15N]' . . 1 $Tdom40-47 . . 1.2 . . mM . . . . 16131 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16131 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16131 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 16131 _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' 0.35 . M 16131 1 pH 6.8 . pH 16131 1 pressure 1 . atm 16131 1 temperature 300 . K 16131 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16131 _Software.ID 1 _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' . . 16131 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16131 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 16131 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16131 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16131 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 16131 1 2 spectrometer_2 Varian INOVA . 600 . . . 16131 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 16131 _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 . . . . . . . . . . . . . . . . . . . . . 16131 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16131 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16131 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16131 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 16131 _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 . . . . . . . . . 16131 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16131 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16131 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 16131 _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' . . . 16131 1 2 '3D CBCA(CO)NH' . . . 16131 1 3 '3D HNCACB' . . . 16131 1 4 '3D HNCO' . . . 16131 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 38 38 ARG CA C 13 43.363 . . 1 . . . . 38 ARG CA . 16131 1 2 . 1 1 39 39 GLY H H 1 8.706 . . 1 . . . . 39 GLY HN . 16131 1 3 . 1 1 39 39 GLY CA C 13 58.392 . . 1 . . . . 39 GLY CA . 16131 1 4 . 1 1 39 39 GLY N N 15 115.760 . . 1 . . . . 39 GLY N . 16131 1 5 . 1 1 40 40 ASN H H 1 8.717 . . 1 . . . . 40 ASN HN . 16131 1 6 . 1 1 40 40 ASN C C 13 174.468 . . 1 . . . . 40 ASN C . 16131 1 7 . 1 1 40 40 ASN CA C 13 53.266 . . 1 . . . . 40 ASN CA . 16131 1 8 . 1 1 40 40 ASN CB C 13 38.815 . . 1 . . . . 40 ASN CB . 16131 1 9 . 1 1 40 40 ASN N N 15 120.914 . . 1 . . . . 40 ASN N . 16131 1 10 . 1 1 41 41 SER H H 1 8.413 . . 1 . . . . 41 SER HN . 16131 1 11 . 1 1 41 41 SER C C 13 175.571 . . 1 . . . . 41 SER C . 16131 1 12 . 1 1 41 41 SER CA C 13 58.648 . . 1 . . . . 41 SER CA . 16131 1 13 . 1 1 41 41 SER CB C 13 63.534 . . 1 . . . . 41 SER CB . 16131 1 14 . 1 1 41 41 SER N N 15 116.354 . . 1 . . . . 41 SER N . 16131 1 15 . 1 1 42 42 ASN H H 1 8.499 . . 1 . . . . 42 ASN HN . 16131 1 16 . 1 1 42 42 ASN C C 13 174.594 . . 1 . . . . 42 ASN C . 16131 1 17 . 1 1 42 42 ASN CA C 13 53.419 . . 1 . . . . 42 ASN CA . 16131 1 18 . 1 1 42 42 ASN CB C 13 38.722 . . 1 . . . . 42 ASN CB . 16131 1 19 . 1 1 42 42 ASN N N 15 120.461 . . 1 . . . . 42 ASN N . 16131 1 20 . 1 1 43 43 GLY H H 1 8.336 . . 1 . . . . 43 GLY HN . 16131 1 21 . 1 1 43 43 GLY C C 13 175.770 . . 1 . . . . 43 GLY C . 16131 1 22 . 1 1 43 43 GLY CA C 13 45.418 . . 1 . . . . 43 GLY CA . 16131 1 23 . 1 1 43 43 GLY N N 15 108.929 . . 1 . . . . 43 GLY N . 16131 1 24 . 1 1 44 44 TRP H H 1 8.085 . . 1 . . . . 44 TRP HN . 16131 1 25 . 1 1 44 44 TRP C C 13 174.130 . . 1 . . . . 44 TRP C . 16131 1 26 . 1 1 44 44 TRP CA C 13 57.349 . . 1 . . . . 44 TRP CA . 16131 1 27 . 1 1 44 44 TRP CB C 13 29.589 . . 1 . . . . 44 TRP CB . 16131 1 28 . 1 1 44 44 TRP N N 15 120.877 . . 1 . . . . 44 TRP N . 16131 1 29 . 1 1 45 45 SER H H 1 8.155 . . 1 . . . . 45 SER HN . 16131 1 30 . 1 1 45 45 SER C C 13 176.575 . . 1 . . . . 45 SER C . 16131 1 31 . 1 1 45 45 SER CA C 13 58.288 . . 1 . . . . 45 SER CA . 16131 1 32 . 1 1 45 45 SER CB C 13 63.793 . . 1 . . . . 45 SER CB . 16131 1 33 . 1 1 45 45 SER N N 15 117.479 . . 1 . . . . 45 SER N . 16131 1 34 . 1 1 46 46 TRP H H 1 8.018 . . 1 . . . . 46 TRP HN . 16131 1 35 . 1 1 46 46 TRP C C 13 174.346 . . 1 . . . . 46 TRP C . 16131 1 36 . 1 1 46 46 TRP CA C 13 57.701 . . 1 . . . . 46 TRP CA . 16131 1 37 . 1 1 46 46 TRP CB C 13 29.332 . . 1 . . . . 46 TRP CB . 16131 1 38 . 1 1 46 46 TRP N N 15 122.494 . . 1 . . . . 46 TRP N . 16131 1 39 . 1 1 47 47 SER H H 1 8.050 . . 1 . . . . 47 SER HN . 16131 1 40 . 1 1 47 47 SER C C 13 176.519 . . 1 . . . . 47 SER C . 16131 1 41 . 1 1 47 47 SER CA C 13 58.736 . . 1 . . . . 47 SER CA . 16131 1 42 . 1 1 47 47 SER CB C 13 61.125 . . 1 . . . . 47 SER CB . 16131 1 43 . 1 1 47 47 SER N N 15 116.103 . . 1 . . . . 47 SER N . 16131 1 44 . 1 1 48 48 ASN H H 1 8.280 . . 1 . . . . 48 ASN HN . 16131 1 45 . 1 1 48 48 ASN C C 13 174.238 . . 1 . . . . 48 ASN C . 16131 1 46 . 1 1 48 48 ASN CA C 13 53.059 . . 1 . . . . 48 ASN CA . 16131 1 47 . 1 1 48 48 ASN CB C 13 38.702 . . 1 . . . . 48 ASN CB . 16131 1 48 . 1 1 48 48 ASN N N 15 120.401 . . 1 . . . . 48 ASN N . 16131 1 49 . 1 1 49 49 LYS H H 1 8.074 . . 1 . . . . 49 LYS HN . 16131 1 50 . 1 1 49 49 LYS C C 13 174.730 . . 1 . . . . 49 LYS C . 16131 1 51 . 1 1 49 49 LYS CA C 13 54.473 . . 1 . . . . 49 LYS CA . 16131 1 52 . 1 1 49 49 LYS CB C 13 32.874 . . 1 . . . . 49 LYS CB . 16131 1 53 . 1 1 49 49 LYS N N 15 122.092 . . 1 . . . . 49 LYS N . 16131 1 54 . 1 1 50 50 PRO CA C 13 63.098 . . 1 . . . . 50 PRO CA . 16131 1 55 . 1 1 50 50 PRO CB C 13 32.077 . . 1 . . . . 50 PRO CB . 16131 1 56 . 1 1 51 51 HIS H H 1 8.601 . . 1 . . . . 51 HIS HN . 16131 1 57 . 1 1 51 51 HIS C C 13 176.863 . . 1 . . . . 51 HIS C . 16131 1 58 . 1 1 51 51 HIS CA C 13 55.068 . . 1 . . . . 51 HIS CA . 16131 1 59 . 1 1 51 51 HIS CB C 13 29.101 . . 1 . . . . 51 HIS CB . 16131 1 60 . 1 1 51 51 HIS N N 15 119.053 . . 1 . . . . 51 HIS N . 16131 1 61 . 1 1 52 52 LYS H H 1 8.434 . . 1 . . . . 52 LYS HN . 16131 1 62 . 1 1 52 52 LYS C C 13 174.636 . . 1 . . . . 52 LYS C . 16131 1 63 . 1 1 52 52 LYS CA C 13 56.635 . . 1 . . . . 52 LYS CA . 16131 1 64 . 1 1 52 52 LYS CB C 13 33.108 . . 1 . . . . 52 LYS CB . 16131 1 65 . 1 1 52 52 LYS N N 15 122.875 . . 1 . . . . 52 LYS N . 16131 1 66 . 1 1 53 53 ASN H H 1 8.706 . . 1 . . . . 53 ASN HN . 16131 1 67 . 1 1 53 53 ASN C C 13 176.346 . . 1 . . . . 53 ASN C . 16131 1 68 . 1 1 53 53 ASN CA C 13 53.200 . . 1 . . . . 53 ASN CA . 16131 1 69 . 1 1 53 53 ASN CB C 13 38.706 . . 1 . . . . 53 ASN CB . 16131 1 70 . 1 1 53 53 ASN N N 15 120.233 . . 1 . . . . 53 ASN N . 16131 1 71 . 1 1 54 54 ASP H H 1 8.392 . . 1 . . . . 54 ASP HN . 16131 1 72 . 1 1 54 54 ASP C C 13 175.072 . . 1 . . . . 54 ASP C . 16131 1 73 . 1 1 54 54 ASP CA C 13 54.283 . . 1 . . . . 54 ASP CA . 16131 1 74 . 1 1 54 54 ASP CB C 13 41.093 . . 1 . . . . 54 ASP CB . 16131 1 75 . 1 1 54 54 ASP N N 15 121.032 . . 1 . . . . 54 ASP N . 16131 1 76 . 1 1 55 55 GLY H H 1 8.435 . . 1 . . . . 55 GLY HN . 16131 1 77 . 1 1 55 55 GLY C C 13 176.776 . . 1 . . . . 55 GLY C . 16131 1 78 . 1 1 55 55 GLY CA C 13 45.293 . . 1 . . . . 55 GLY CA . 16131 1 79 . 1 1 55 55 GLY N N 15 108.689 . . 1 . . . . 55 GLY N . 16131 1 80 . 1 1 56 56 PHE H H 1 8.211 . . 1 . . . . 56 PHE HN . 16131 1 81 . 1 1 56 56 PHE C C 13 174.117 . . 1 . . . . 56 PHE C . 16131 1 82 . 1 1 56 56 PHE CA C 13 57.959 . . 1 . . . . 56 PHE CA . 16131 1 83 . 1 1 56 56 PHE CB C 13 39.555 . . 1 . . . . 56 PHE CB . 16131 1 84 . 1 1 56 56 PHE N N 15 120.087 . . 1 . . . . 56 PHE N . 16131 1 85 . 1 1 57 57 HIS H H 1 8.469 . . 1 . . . . 57 HIS HN . 16131 1 86 . 1 1 57 57 HIS C C 13 175.800 . . 1 . . . . 57 HIS C . 16131 1 87 . 1 1 57 57 HIS CA C 13 55.032 . . 1 . . . . 57 HIS CA . 16131 1 88 . 1 1 57 57 HIS CB C 13 29.206 . . 1 . . . . 57 HIS CB . 16131 1 89 . 1 1 57 57 HIS N N 15 120.813 . . 1 . . . . 57 HIS N . 16131 1 90 . 1 1 58 58 SER H H 1 8.439 . . 1 . . . . 58 SER HN . 16131 1 91 . 1 1 58 58 SER C C 13 174.448 . . 1 . . . . 58 SER C . 16131 1 92 . 1 1 58 58 SER CA C 13 58.381 . . 1 . . . . 58 SER CA . 16131 1 93 . 1 1 58 58 SER CB C 13 63.771 . . 1 . . . . 58 SER CB . 16131 1 94 . 1 1 58 58 SER N N 15 117.403 . . 1 . . . . 58 SER N . 16131 1 95 . 1 1 59 59 ASP H H 1 8.566 . . 1 . . . . 59 ASP HN . 16131 1 96 . 1 1 59 59 ASP C C 13 174.478 . . 1 . . . . 59 ASP C . 16131 1 97 . 1 1 59 59 ASP CA C 13 54.216 . . 1 . . . . 59 ASP CA . 16131 1 98 . 1 1 59 59 ASP CB C 13 40.985 . . 1 . . . . 59 ASP CB . 16131 1 99 . 1 1 59 59 ASP N N 15 122.522 . . 1 . . . . 59 ASP N . 16131 1 100 . 1 1 60 60 GLY H H 1 8.499 . . 1 . . . . 60 GLY HN . 16131 1 101 . 1 1 60 60 GLY C C 13 176.996 . . 1 . . . . 60 GLY C . 16131 1 102 . 1 1 60 60 GLY CA C 13 45.602 . . 1 . . . . 60 GLY CA . 16131 1 103 . 1 1 60 60 GLY N N 15 109.373 . . 1 . . . . 60 GLY N . 16131 1 104 . 1 1 61 61 SER H H 1 8.318 . . 1 . . . . 61 SER HN . 16131 1 105 . 1 1 61 61 SER C C 13 174.640 . . 1 . . . . 61 SER C . 16131 1 106 . 1 1 61 61 SER CA C 13 58.607 . . 1 . . . . 61 SER CA . 16131 1 107 . 1 1 61 61 SER CB C 13 63.902 . . 1 . . . . 61 SER CB . 16131 1 108 . 1 1 61 61 SER N N 15 115.890 . . 1 . . . . 61 SER N . 16131 1 109 . 1 1 62 62 TYR H H 1 8.200 . . 1 . . . . 62 TYR HN . 16131 1 110 . 1 1 62 62 TYR C C 13 174.268 . . 1 . . . . 62 TYR C . 16131 1 111 . 1 1 62 62 TYR CA C 13 58.052 . . 1 . . . . 62 TYR CA . 16131 1 112 . 1 1 62 62 TYR CB C 13 38.765 . . 1 . . . . 62 TYR CB . 16131 1 113 . 1 1 62 62 TYR N N 15 121.835 . . 1 . . . . 62 TYR N . 16131 1 114 . 1 1 63 63 HIS H H 1 8.337 . . 1 . . . . 63 HIS HN . 16131 1 115 . 1 1 63 63 HIS C C 13 175.499 . . 1 . . . . 63 HIS C . 16131 1 116 . 1 1 63 63 HIS CA C 13 54.849 . . 1 . . . . 63 HIS CA . 16131 1 117 . 1 1 63 63 HIS CB C 13 29.270 . . 1 . . . . 63 HIS CB . 16131 1 118 . 1 1 63 63 HIS N N 15 121.072 . . 1 . . . . 63 HIS N . 16131 1 119 . 1 1 64 64 ILE H H 1 8.203 . . 1 . . . . 64 ILE HN . 16131 1 120 . 1 1 64 64 ILE C C 13 174.036 . . 1 . . . . 64 ILE C . 16131 1 121 . 1 1 64 64 ILE CA C 13 61.204 . . 1 . . . . 64 ILE CA . 16131 1 122 . 1 1 64 64 ILE CB C 13 38.792 . . 1 . . . . 64 ILE CB . 16131 1 123 . 1 1 64 64 ILE N N 15 122.574 . . 1 . . . . 64 ILE N . 16131 1 124 . 1 1 65 65 THR H H 1 8.256 . . 1 . . . . 65 THR HN . 16131 1 125 . 1 1 65 65 THR C C 13 176.144 . . 1 . . . . 65 THR C . 16131 1 126 . 1 1 65 65 THR CA C 13 61.737 . . 1 . . . . 65 THR CA . 16131 1 127 . 1 1 65 65 THR CB C 13 65.842 . . 1 . . . . 65 THR CB . 16131 1 128 . 1 1 65 65 THR N N 15 118.608 . . 1 . . . . 65 THR N . 16131 1 129 . 1 1 66 66 PHE H H 1 8.403 . . 1 . . . . 66 PHE HN . 16131 1 130 . 1 1 66 66 PHE C C 13 173.936 . . 1 . . . . 66 PHE C . 16131 1 131 . 1 1 66 66 PHE CA C 13 57.781 . . 1 . . . . 66 PHE CA . 16131 1 132 . 1 1 66 66 PHE CB C 13 39.729 . . 1 . . . . 66 PHE CB . 16131 1 133 . 1 1 66 66 PHE N N 15 123.564 . . 1 . . . . 66 PHE N . 16131 1 134 . 1 1 67 67 HIS H H 1 8.537 . . 1 . . . . 67 HIS HN . 16131 1 135 . 1 1 67 67 HIS C C 13 175.422 . . 1 . . . . 67 HIS C . 16131 1 136 . 1 1 67 67 HIS CA C 13 55.050 . . 1 . . . . 67 HIS CA . 16131 1 137 . 1 1 67 67 HIS CB C 13 29.107 . . 1 . . . . 67 HIS CB . 16131 1 138 . 1 1 67 67 HIS N N 15 121.662 . . 1 . . . . 67 HIS N . 16131 1 139 . 1 1 68 68 GLY H H 1 7.927 . . 1 . . . . 68 GLY HN . 16131 1 140 . 1 1 68 68 GLY C C 13 174.679 . . 1 . . . . 68 GLY C . 16131 1 141 . 1 1 68 68 GLY CA C 13 45.225 . . 1 . . . . 68 GLY CA . 16131 1 142 . 1 1 68 68 GLY N N 15 109.816 . . 1 . . . . 68 GLY N . 16131 1 143 . 1 1 69 69 ASP H H 1 8.412 . . 1 . . . . 69 ASP HN . 16131 1 144 . 1 1 69 69 ASP C C 13 173.677 . . 1 . . . . 69 ASP C . 16131 1 145 . 1 1 69 69 ASP CA C 13 54.077 . . 1 . . . . 69 ASP CA . 16131 1 146 . 1 1 69 69 ASP CB C 13 41.236 . . 1 . . . . 69 ASP CB . 16131 1 147 . 1 1 69 69 ASP N N 15 120.429 . . 1 . . . . 69 ASP N . 16131 1 148 . 1 1 70 70 ASN H H 1 8.615 . . 1 . . . . 70 ASN HN . 16131 1 149 . 1 1 70 70 ASN C C 13 176.400 . . 1 . . . . 70 ASN C . 16131 1 150 . 1 1 70 70 ASN CA C 13 53.538 . . 1 . . . . 70 ASN CA . 16131 1 151 . 1 1 70 70 ASN CB C 13 38.650 . . 1 . . . . 70 ASN CB . 16131 1 152 . 1 1 70 70 ASN N N 15 119.423 . . 1 . . . . 70 ASN N . 16131 1 153 . 1 1 71 71 ASN H H 1 8.591 . . 1 . . . . 71 ASN HN . 16131 1 154 . 1 1 71 71 ASN C C 13 175.424 . . 1 . . . . 71 ASN C . 16131 1 155 . 1 1 71 71 ASN CA C 13 53.524 . . 1 . . . . 71 ASN CA . 16131 1 156 . 1 1 71 71 ASN CB C 13 38.864 . . 1 . . . . 71 ASN CB . 16131 1 157 . 1 1 71 71 ASN N N 15 119.053 . . 1 . . . . 71 ASN N . 16131 1 158 . 1 1 72 72 SER H H 1 8.277 . . 1 . . . . 72 SER HN . 16131 1 159 . 1 1 72 72 SER C C 13 175.413 . . 1 . . . . 72 SER C . 16131 1 160 . 1 1 72 72 SER CA C 13 58.470 . . 1 . . . . 72 SER CA . 16131 1 161 . 1 1 72 72 SER CB C 13 63.761 . . 1 . . . . 72 SER CB . 16131 1 162 . 1 1 72 72 SER N N 15 115.892 . . 1 . . . . 72 SER N . 16131 1 163 . 1 1 73 73 LYS H H 1 8.274 . . 1 . . . . 73 LYS HN . 16131 1 164 . 1 1 73 73 LYS C C 13 174.185 . . 1 . . . . 73 LYS C . 16131 1 165 . 1 1 73 73 LYS CA C 13 54.442 . . 1 . . . . 73 LYS CA . 16131 1 166 . 1 1 73 73 LYS CB C 13 32.875 . . 1 . . . . 73 LYS CB . 16131 1 167 . 1 1 73 73 LYS N N 15 124.074 . . 1 . . . . 73 LYS N . 16131 1 168 . 1 1 74 74 PRO CA C 13 62.989 . . 1 . . . . 74 PRO CA . 16131 1 169 . 1 1 74 74 PRO CB C 13 32.123 . . 1 . . . . 74 PRO CB . 16131 1 170 . 1 1 75 75 LYS H H 1 8.391 . . 1 . . . . 75 LYS HN . 16131 1 171 . 1 1 75 75 LYS C C 13 176.638 . . 1 . . . . 75 LYS C . 16131 1 172 . 1 1 75 75 LYS CA C 13 54.208 . . 1 . . . . 75 LYS CA . 16131 1 173 . 1 1 75 75 LYS CB C 13 32.729 . . 1 . . . . 75 LYS CB . 16131 1 174 . 1 1 75 75 LYS N N 15 123.210 . . 1 . . . . 75 LYS N . 16131 1 stop_ save_