data_15259 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15259 _Entry.Title ; LactococcinGa in DPC and TFE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-22 _Entry.Accession_date 2007-05-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.96 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'LactococcinG, alpha-peptide M21L/M24L double mutant in DPC micelles and TFE' _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 Per Rogne . . . 15259 2 Gunnar Fimland . . . 15259 3 Jon Nissen-Meyer . . . 15259 4 Per Kristiansen . E. . 15259 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Anti-microbial . 15259 'Membrane bound' . 15259 Peptide . 15259 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 15259 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 91 15259 '1H chemical shifts' 506 15259 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 . . 2008-07-02 2007-05-22 update BMRB 'complete entry citation' 15259 1 . . 2008-02-21 2007-05-22 original author 'original release' 15259 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JPJ 'BMRB Entry Tracking System' 15259 PDB 2JPL 'BMRB Entry Tracking System' 15259 stop_ save_ ############### # Citations # ############### save_Biochemistry_article _Citation.Sf_category citations _Citation.Sf_framecode Biochemistry_article _Citation.Entry_ID 15259 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18187052 _Citation.Full_citation . _Citation.Title ; Three-dimensional structure of the two peptides that constitutes the two-peptide bacteriocin Lactococcin G ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta.' _Citation.Journal_name_full . _Citation.Journal_volume 1784 _Citation.Journal_issue 3 _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 543 _Citation.Page_last 554 _Citation.Year 2008 _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 Per Rogne . . . 15259 1 2 Gunnar Fimland . . . 15259 1 3 Jon Nissen-Meyer . . . 15259 1 4 Per Kristiansen . E. . 15259 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15259 _Assembly.ID 1 _Assembly.Name lcnGa _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 lcnGa 1 $lcnGa A . yes native no no . . . 15259 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lcnGa _Entity.Sf_category entity _Entity.Sf_framecode lcnGa _Entity.Entry_ID 15259 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lcnGa _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTWDDIGQGIGRVAYWVGKA LGNLSDVNQASRINRKKKH ; _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 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; M21L M24L ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4317.912 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JPJ . "Lactococcin G-A In Dpc" . . . . . 100.00 39 100.00 100.00 5.21e-18 . . . . 15259 1 2 no PDB 2JPL . "Lactococcin G-A In Tfe" . . . . . 100.00 39 100.00 100.00 5.21e-18 . . . . 15259 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 . GLY . 15259 1 2 . THR . 15259 1 3 . TRP . 15259 1 4 . ASP . 15259 1 5 . ASP . 15259 1 6 . ILE . 15259 1 7 . GLY . 15259 1 8 . GLN . 15259 1 9 . GLY . 15259 1 10 . ILE . 15259 1 11 . GLY . 15259 1 12 . ARG . 15259 1 13 . VAL . 15259 1 14 . ALA . 15259 1 15 . TYR . 15259 1 16 . TRP . 15259 1 17 . VAL . 15259 1 18 . GLY . 15259 1 19 . LYS . 15259 1 20 . ALA . 15259 1 21 . LEU . 15259 1 22 . GLY . 15259 1 23 . ASN . 15259 1 24 . LEU . 15259 1 25 . SER . 15259 1 26 . ASP . 15259 1 27 . VAL . 15259 1 28 . ASN . 15259 1 29 . GLN . 15259 1 30 . ALA . 15259 1 31 . SER . 15259 1 32 . ARG . 15259 1 33 . ILE . 15259 1 34 . ASN . 15259 1 35 . ARG . 15259 1 36 . LYS . 15259 1 37 . LYS . 15259 1 38 . LYS . 15259 1 39 . HIS . 15259 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 . GLY 1 1 15259 1 . THR 2 2 15259 1 . TRP 3 3 15259 1 . ASP 4 4 15259 1 . ASP 5 5 15259 1 . ILE 6 6 15259 1 . GLY 7 7 15259 1 . GLN 8 8 15259 1 . GLY 9 9 15259 1 . ILE 10 10 15259 1 . GLY 11 11 15259 1 . ARG 12 12 15259 1 . VAL 13 13 15259 1 . ALA 14 14 15259 1 . TYR 15 15 15259 1 . TRP 16 16 15259 1 . VAL 17 17 15259 1 . GLY 18 18 15259 1 . LYS 19 19 15259 1 . ALA 20 20 15259 1 . LEU 21 21 15259 1 . GLY 22 22 15259 1 . ASN 23 23 15259 1 . LEU 24 24 15259 1 . SER 25 25 15259 1 . ASP 26 26 15259 1 . VAL 27 27 15259 1 . ASN 28 28 15259 1 . GLN 29 29 15259 1 . ALA 30 30 15259 1 . SER 31 31 15259 1 . ARG 32 32 15259 1 . ILE 33 33 15259 1 . ASN 34 34 15259 1 . ARG 35 35 15259 1 . LYS 36 36 15259 1 . LYS 37 37 15259 1 . LYS 38 38 15259 1 . HIS 39 39 15259 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 15259 _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 $lcnGa . 1358 organism . 'Lactococcus lactis' 'Lactococcus lactis' . . Bacteria . Lactococcus lactis 'LMGT 2081' . . . . . . . . . . . . . . . . . . . . 15259 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 15259 _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 $lcnGa . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'RIL (DE3) pLysS' . . . . . . . . . . . . . . pGEV2 . . . . . . 15259 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_lcnGa_DPC _Sample.Sf_category sample _Sample.Sf_framecode lcnGa_DPC _Sample.Entry_ID 15259 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'LcnGa:DPC 1:200 peptide to lipid ratio' _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 lcnGa [U-15N] . . 1 $lcnGa . . 1 . . mM . . . . 15259 1 2 DPC [U-2H] . . . . . . 200 . . mM . . . . 15259 1 3 TFA 'natural abundance' . . . . . . 0.1 . . % . . . . 15259 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15259 1 5 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 15259 1 stop_ save_ save_lcnGaTFE _Sample.Sf_category sample _Sample.Sf_framecode lcnGaTFE _Sample.Entry_ID 15259 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'LactococcinG alpha in TFE' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% TFE/10% H2O' _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 'lcnG a TFE' [U-15N] . . 1 $lcnGa . . 1 . . mM . . . . 15259 2 2 TFE [U-2H] . . . . . . 90 . . % . . . . 15259 2 3 TFA 'natural abundance' . . . . . . 0.1 . . % . . . . 15259 2 4 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 15259 2 stop_ save_ ####################### # Sample conditions # ####################### save_25C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 25C _Sample_condition_list.Entry_ID 15259 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 2.8 . pH 15259 1 pressure 1 . atm 15259 1 temperature 298 . K 15259 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15259 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15259 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15259 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15259 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15259 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15259 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15259 _Software.ID 3 _Software.Name CARA _Software.Version 1.4.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15259 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15259 3 'data analysis' 15259 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15259 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15259 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15259 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15259 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15259 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'torsion angle prediction' 15259 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15259 _Software.ID 6 _Software.Name Molmol _Software.Version 2k.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15259 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'RMSD value calculation' 15259 6 'Structure visualization' 15259 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15259 _Software.ID 7 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15259 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15259 7 processing 15259 7 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 15259 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15259 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15259 _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 'NMR centre Gothenburg' Varian INOVA . 600 Cryoprobe . . 15259 1 2 Oslo Bruker Avance . 600 Cryoprobe . . 15259 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 15259 _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 $lcnGa_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15259 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $lcnGa_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15259 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $lcnGa_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15259 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $lcnGa_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15259 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $lcnGa_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15259 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $lcnGaTFE isotropic . . 1 $25C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15259 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $lcnGaTFE isotropic . . 1 $25C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15259 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $lcnGaTFE isotropic . . 1 $25C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15259 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $lcnGaTFE isotropic . . 1 $25C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15259 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $lcnGaTFE isotropic . . 1 $25C . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15259 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 15259 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15259 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15259 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 15259 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $25C _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' . . . 15259 1 2 '2D 1H-1H NOESY' . . . 15259 1 4 '3D 1H-15N NOESY' . . . 15259 1 5 '3D 1H-15N TOCSY' . . . 15259 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 15259 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 GLY HA2 H 1 4.738 0.010 . 2 . . . . 1 G HA . 15259 1 2 . 1 1 1 1 GLY HA3 H 1 4.738 0.010 . 2 . . . . 1 G HA . 15259 1 3 . 1 1 2 2 THR H H 1 8.794 0.010 . 1 . . . . 2 T H . 15259 1 4 . 1 1 2 2 THR HA H 1 3.968 0.010 . 1 . . . . 2 T HA . 15259 1 5 . 1 1 2 2 THR HB H 1 3.935 0.010 . 1 . . . . 2 T HB . 15259 1 6 . 1 1 2 2 THR HG21 H 1 1.030 0.010 . 1 . . . . 2 T HG1 . 15259 1 7 . 1 1 2 2 THR HG22 H 1 1.030 0.010 . 1 . . . . 2 T HG1 . 15259 1 8 . 1 1 2 2 THR HG23 H 1 1.030 0.010 . 1 . . . . 2 T HG1 . 15259 1 9 . 1 1 2 2 THR N N 15 118.097 0.100 . 1 . . . . 2 T N . 15259 1 10 . 1 1 3 3 TRP H H 1 8.799 0.010 . 1 . . . . 3 W H . 15259 1 11 . 1 1 3 3 TRP HA H 1 4.417 0.010 . 1 . . . . 3 W HA . 15259 1 12 . 1 1 3 3 TRP HB2 H 1 3.259 0.010 . 2 . . . . 3 W HB . 15259 1 13 . 1 1 3 3 TRP HB3 H 1 3.259 0.010 . 2 . . . . 3 W HB . 15259 1 14 . 1 1 3 3 TRP HD1 H 1 7.330 0.010 . 1 . . . . 3 W HD1 . 15259 1 15 . 1 1 3 3 TRP HE1 H 1 10.628 0.010 . 1 . . . . 3 W HE1 . 15259 1 16 . 1 1 3 3 TRP HE3 H 1 7.464 0.010 . 1 . . . . 3 W HE3 . 15259 1 17 . 1 1 3 3 TRP HH2 H 1 7.012 0.010 . 1 . . . . 3 W HH2 . 15259 1 18 . 1 1 3 3 TRP HZ2 H 1 7.432 0.010 . 1 . . . . 3 W HZ2 . 15259 1 19 . 1 1 3 3 TRP HZ3 H 1 6.909 0.010 . 1 . . . . 3 W HZ3 . 15259 1 20 . 1 1 3 3 TRP N N 15 120.810 0.100 . 1 . . . . 3 W N . 15259 1 21 . 1 1 3 3 TRP NE1 N 15 130.290 0.100 . 1 . . . . 3 W NE1 . 15259 1 22 . 1 1 4 4 ASP H H 1 8.200 0.010 . 1 . . . . 4 D H . 15259 1 23 . 1 1 4 4 ASP HA H 1 4.433 0.010 . 1 . . . . 4 D HA . 15259 1 24 . 1 1 4 4 ASP HB2 H 1 2.811 0.010 . 2 . . . . 4 D HB . 15259 1 25 . 1 1 4 4 ASP HB3 H 1 2.811 0.010 . 2 . . . . 4 D HB . 15259 1 26 . 1 1 4 4 ASP N N 15 116.973 0.100 . 1 . . . . 4 D N . 15259 1 27 . 1 1 5 5 ASP H H 1 8.020 0.010 . 1 . . . . 5 D H . 15259 1 28 . 1 1 5 5 ASP HA H 1 4.450 0.010 . 1 . . . . 5 D HA . 15259 1 29 . 1 1 5 5 ASP HB2 H 1 3.088 0.010 . 2 . . . . 5 D HB . 15259 1 30 . 1 1 5 5 ASP HB3 H 1 3.088 0.010 . 2 . . . . 5 D HB . 15259 1 31 . 1 1 5 5 ASP N N 15 118.189 0.100 . 1 . . . . 5 D N . 15259 1 32 . 1 1 6 6 ILE H H 1 8.106 0.010 . 1 . . . . 6 I H . 15259 1 33 . 1 1 6 6 ILE HA H 1 3.793 0.010 . 1 . . . . 6 I HA . 15259 1 34 . 1 1 6 6 ILE HB H 1 1.978 0.010 . 1 . . . . 6 I HB . 15259 1 35 . 1 1 6 6 ILE HD11 H 1 0.690 0.010 . 1 . . . . 6 I HD1 . 15259 1 36 . 1 1 6 6 ILE HD12 H 1 0.690 0.010 . 1 . . . . 6 I HD1 . 15259 1 37 . 1 1 6 6 ILE HD13 H 1 0.690 0.010 . 1 . . . . 6 I HD1 . 15259 1 38 . 1 1 6 6 ILE HG12 H 1 1.689 0.010 . 2 . . . . 6 I HG1 . 15259 1 39 . 1 1 6 6 ILE HG13 H 1 1.689 0.010 . 2 . . . . 6 I HG1 . 15259 1 40 . 1 1 6 6 ILE HG21 H 1 0.875 0.010 . 1 . . . . 6 I HG2 . 15259 1 41 . 1 1 6 6 ILE HG22 H 1 0.875 0.010 . 1 . . . . 6 I HG2 . 15259 1 42 . 1 1 6 6 ILE HG23 H 1 0.875 0.010 . 1 . . . . 6 I HG2 . 15259 1 43 . 1 1 6 6 ILE N N 15 120.020 0.100 . 1 . . . . 6 I N . 15259 1 44 . 1 1 7 7 GLY H H 1 8.467 0.010 . 1 . . . . 7 G H . 15259 1 45 . 1 1 7 7 GLY HA2 H 1 3.855 0.010 . 1 . . . . 7 G HA2 . 15259 1 46 . 1 1 7 7 GLY HA3 H 1 3.611 0.010 . 1 . . . . 7 G HA3 . 15259 1 47 . 1 1 7 7 GLY N N 15 107.561 0.100 . 1 . . . . 7 G N . 15259 1 48 . 1 1 8 8 GLN H H 1 8.206 0.010 . 1 . . . . 8 Q H . 15259 1 49 . 1 1 8 8 GLN HA H 1 4.137 0.010 . 1 . . . . 8 Q HA . 15259 1 50 . 1 1 8 8 GLN HB2 H 1 2.112 0.010 . 2 . . . . 8 Q HB . 15259 1 51 . 1 1 8 8 GLN HB3 H 1 2.112 0.010 . 2 . . . . 8 Q HB . 15259 1 52 . 1 1 8 8 GLN HG2 H 1 2.360 0.010 . 1 . . . . 8 Q HG2 . 15259 1 53 . 1 1 8 8 GLN HG3 H 1 2.496 0.010 . 1 . . . . 8 Q HG3 . 15259 1 54 . 1 1 8 8 GLN N N 15 119.470 0.100 . 1 . . . . 8 Q N . 15259 1 55 . 1 1 9 9 GLY H H 1 8.272 0.010 . 1 . . . . 9 G H . 15259 1 56 . 1 1 9 9 GLY HA2 H 1 3.928 0.010 . 1 . . . . 9 G HA2 . 15259 1 57 . 1 1 9 9 GLY HA3 H 1 3.721 0.010 . 1 . . . . 9 G HA3 . 15259 1 58 . 1 1 9 9 GLY N N 15 108.212 0.100 . 1 . . . . 9 G N . 15259 1 59 . 1 1 10 10 ILE H H 1 8.433 0.010 . 1 . . . . 10 I H . 15259 1 60 . 1 1 10 10 ILE HA H 1 3.769 0.010 . 1 . . . . 10 I HA . 15259 1 61 . 1 1 10 10 ILE HB H 1 1.987 0.010 . 1 . . . . 10 I HB . 15259 1 62 . 1 1 10 10 ILE HD11 H 1 0.834 0.010 . 1 . . . . 10 I HD1 . 15259 1 63 . 1 1 10 10 ILE HD12 H 1 0.834 0.010 . 1 . . . . 10 I HD1 . 15259 1 64 . 1 1 10 10 ILE HD13 H 1 0.834 0.010 . 1 . . . . 10 I HD1 . 15259 1 65 . 1 1 10 10 ILE HG12 H 1 1.166 0.010 . 2 . . . . 10 I HG1 . 15259 1 66 . 1 1 10 10 ILE HG13 H 1 1.166 0.010 . 2 . . . . 10 I HG1 . 15259 1 67 . 1 1 10 10 ILE HG21 H 1 0.922 0.010 . 1 . . . . 10 I HG2 . 15259 1 68 . 1 1 10 10 ILE HG22 H 1 0.922 0.010 . 1 . . . . 10 I HG2 . 15259 1 69 . 1 1 10 10 ILE HG23 H 1 0.922 0.010 . 1 . . . . 10 I HG2 . 15259 1 70 . 1 1 10 10 ILE N N 15 120.895 0.100 . 1 . . . . 10 I N . 15259 1 71 . 1 1 11 11 GLY H H 1 8.288 0.010 . 1 . . . . 11 G H . 15259 1 72 . 1 1 11 11 GLY HA2 H 1 3.947 0.010 . 1 . . . . 11 G HA2 . 15259 1 73 . 1 1 11 11 GLY HA3 H 1 3.763 0.010 . 1 . . . . 11 G HA3 . 15259 1 74 . 1 1 11 11 GLY N N 15 107.425 0.100 . 1 . . . . 11 G N . 15259 1 75 . 1 1 12 12 ARG H H 1 7.902 0.010 . 1 . . . . 12 R H . 15259 1 76 . 1 1 12 12 ARG HA H 1 4.179 0.010 . 1 . . . . 12 R HA . 15259 1 77 . 1 1 12 12 ARG HB2 H 1 2.008 0.010 . 2 . . . . 12 R HB . 15259 1 78 . 1 1 12 12 ARG HB3 H 1 2.008 0.010 . 2 . . . . 12 R HB . 15259 1 79 . 1 1 12 12 ARG HD2 H 1 3.161 0.010 . 2 . . . . 12 R HD . 15259 1 80 . 1 1 12 12 ARG HD3 H 1 3.161 0.010 . 2 . . . . 12 R HD . 15259 1 81 . 1 1 12 12 ARG HE H 1 7.636 0.010 . 1 . . . . 12 R HE . 15259 1 82 . 1 1 12 12 ARG HG2 H 1 1.817 0.010 . 1 . . . . 12 R HG2 . 15259 1 83 . 1 1 12 12 ARG HG3 H 1 1.728 0.010 . 1 . . . . 12 R HG3 . 15259 1 84 . 1 1 12 12 ARG N N 15 121.056 0.100 . 1 . . . . 12 R N . 15259 1 85 . 1 1 12 12 ARG NE N 15 83.769 0.100 . 1 . . . . 12 R NE . 15259 1 86 . 1 1 13 13 VAL H H 1 7.952 0.010 . 1 . . . . 13 V H . 15259 1 87 . 1 1 13 13 VAL HA H 1 3.788 0.010 . 1 . . . . 13 V HA . 15259 1 88 . 1 1 13 13 VAL HB H 1 2.296 0.010 . 1 . . . . 13 V HB . 15259 1 89 . 1 1 13 13 VAL HG11 H 1 1.092 0.010 . 2 . . . . 13 V HG1 . 15259 1 90 . 1 1 13 13 VAL HG12 H 1 1.092 0.010 . 2 . . . . 13 V HG1 . 15259 1 91 . 1 1 13 13 VAL HG13 H 1 1.092 0.010 . 2 . . . . 13 V HG1 . 15259 1 92 . 1 1 13 13 VAL HG21 H 1 0.956 0.010 . 2 . . . . 13 V HG2 . 15259 1 93 . 1 1 13 13 VAL HG22 H 1 0.956 0.010 . 2 . . . . 13 V HG2 . 15259 1 94 . 1 1 13 13 VAL HG23 H 1 0.956 0.010 . 2 . . . . 13 V HG2 . 15259 1 95 . 1 1 13 13 VAL N N 15 118.823 0.100 . 1 . . . . 13 V N . 15259 1 96 . 1 1 14 14 ALA H H 1 8.649 0.010 . 1 . . . . 14 A H . 15259 1 97 . 1 1 14 14 ALA HA H 1 3.897 0.010 . 1 . . . . 14 A HA . 15259 1 98 . 1 1 14 14 ALA HB1 H 1 1.480 0.010 . 1 . . . . 14 A HB . 15259 1 99 . 1 1 14 14 ALA HB2 H 1 1.480 0.010 . 1 . . . . 14 A HB . 15259 1 100 . 1 1 14 14 ALA HB3 H 1 1.480 0.010 . 1 . . . . 14 A HB . 15259 1 101 . 1 1 14 14 ALA N N 15 120.922 0.100 . 1 . . . . 14 A N . 15259 1 102 . 1 1 15 15 TYR H H 1 8.008 0.010 . 1 . . . . 15 Y H . 15259 1 103 . 1 1 15 15 TYR HA H 1 4.072 0.010 . 1 . . . . 15 Y HA . 15259 1 104 . 1 1 15 15 TYR HB2 H 1 3.077 0.010 . 2 . . . . 15 Y HB . 15259 1 105 . 1 1 15 15 TYR HB3 H 1 3.077 0.010 . 2 . . . . 15 Y HB . 15259 1 106 . 1 1 15 15 TYR HD1 H 1 6.557 0.010 . 3 . . . . 15 Y HD . 15259 1 107 . 1 1 15 15 TYR HD2 H 1 6.557 0.010 . 3 . . . . 15 Y HD . 15259 1 108 . 1 1 15 15 TYR HE1 H 1 6.282 0.010 . 3 . . . . 15 Y HE . 15259 1 109 . 1 1 15 15 TYR HE2 H 1 6.282 0.010 . 3 . . . . 15 Y HE . 15259 1 110 . 1 1 15 15 TYR N N 15 117.954 0.100 . 1 . . . . 15 Y N . 15259 1 111 . 1 1 16 16 TRP H H 1 7.900 0.010 . 1 . . . . 16 W H . 15259 1 112 . 1 1 16 16 TRP HA H 1 4.180 0.010 . 1 . . . . 16 W HA . 15259 1 113 . 1 1 16 16 TRP HB2 H 1 3.406 0.010 . 1 . . . . 16 W HB2 . 15259 1 114 . 1 1 16 16 TRP HB3 H 1 3.333 0.010 . 1 . . . . 16 W HB3 . 15259 1 115 . 1 1 16 16 TRP HD1 H 1 7.385 0.010 . 1 . . . . 16 W HD1 . 15259 1 116 . 1 1 16 16 TRP HE1 H 1 10.733 0.010 . 1 . . . . 16 W HE1 . 15259 1 117 . 1 1 16 16 TRP HE3 H 1 7.488 0.010 . 1 . . . . 16 W HE3 . 15259 1 118 . 1 1 16 16 TRP HH2 H 1 7.175 0.010 . 1 . . . . 16 W HH2 . 15259 1 119 . 1 1 16 16 TRP HZ2 H 1 7.531 0.010 . 1 . . . . 16 W HZ2 . 15259 1 120 . 1 1 16 16 TRP HZ3 H 1 6.981 0.010 . 1 . . . . 16 W HZ3 . 15259 1 121 . 1 1 16 16 TRP N N 15 120.393 0.100 . 1 . . . . 16 W N . 15259 1 122 . 1 1 16 16 TRP NE1 N 15 129.666 0.100 . 1 . . . . 16 W NE1 . 15259 1 123 . 1 1 17 17 VAL H H 1 8.809 0.010 . 1 . . . . 17 V H . 15259 1 124 . 1 1 17 17 VAL HA H 1 3.512 0.010 . 1 . . . . 17 V HA . 15259 1 125 . 1 1 17 17 VAL HB H 1 2.159 0.010 . 1 . . . . 17 V HB . 15259 1 126 . 1 1 17 17 VAL HG11 H 1 1.094 0.010 . 2 . . . . 17 V HG1 . 15259 1 127 . 1 1 17 17 VAL HG12 H 1 1.094 0.010 . 2 . . . . 17 V HG1 . 15259 1 128 . 1 1 17 17 VAL HG13 H 1 1.094 0.010 . 2 . . . . 17 V HG1 . 15259 1 129 . 1 1 17 17 VAL HG21 H 1 0.887 0.010 . 2 . . . . 17 V HG2 . 15259 1 130 . 1 1 17 17 VAL HG22 H 1 0.887 0.010 . 2 . . . . 17 V HG2 . 15259 1 131 . 1 1 17 17 VAL HG23 H 1 0.887 0.010 . 2 . . . . 17 V HG2 . 15259 1 132 . 1 1 17 17 VAL N N 15 119.371 0.100 . 1 . . . . 17 V N . 15259 1 133 . 1 1 18 18 GLY H H 1 8.412 0.010 . 1 . . . . 18 G H . 15259 1 134 . 1 1 18 18 GLY HA2 H 1 3.812 0.010 . 1 . . . . 18 G HA2 . 15259 1 135 . 1 1 18 18 GLY HA3 H 1 3.612 0.010 . 1 . . . . 18 G HA3 . 15259 1 136 . 1 1 18 18 GLY N N 15 106.142 0.100 . 1 . . . . 18 G N . 15259 1 137 . 1 1 19 19 LYS H H 1 8.133 0.010 . 1 . . . . 19 K H . 15259 1 138 . 1 1 19 19 LYS HA H 1 4.211 0.010 . 1 . . . . 19 K HA . 15259 1 139 . 1 1 19 19 LYS HB2 H 1 1.670 0.010 . 2 . . . . 19 K HB . 15259 1 140 . 1 1 19 19 LYS HB3 H 1 1.670 0.010 . 2 . . . . 19 K HB . 15259 1 141 . 1 1 19 19 LYS HD2 H 1 1.750 0.010 . 2 . . . . 19 K HD . 15259 1 142 . 1 1 19 19 LYS HD3 H 1 1.750 0.010 . 2 . . . . 19 K HD . 15259 1 143 . 1 1 19 19 LYS HG2 H 1 1.320 0.010 . 2 . . . . 19 K HG . 15259 1 144 . 1 1 19 19 LYS HG3 H 1 1.320 0.010 . 2 . . . . 19 K HG . 15259 1 145 . 1 1 19 19 LYS N N 15 122.321 0.100 . 1 . . . . 19 K N . 15259 1 146 . 1 1 20 20 ALA H H 1 7.749 0.010 . 1 . . . . 20 A H . 15259 1 147 . 1 1 20 20 ALA HA H 1 3.913 0.010 . 1 . . . . 20 A HA . 15259 1 148 . 1 1 20 20 ALA HB1 H 1 1.664 0.010 . 1 . . . . 20 A HB . 15259 1 149 . 1 1 20 20 ALA HB2 H 1 1.664 0.010 . 1 . . . . 20 A HB . 15259 1 150 . 1 1 20 20 ALA HB3 H 1 1.664 0.010 . 1 . . . . 20 A HB . 15259 1 151 . 1 1 20 20 ALA N N 15 121.056 0.100 . 1 . . . . 20 A N . 15259 1 152 . 1 1 21 21 LEU H H 1 8.258 0.010 . 1 . . . . 21 L H . 15259 1 153 . 1 1 21 21 LEU HA H 1 4.029 0.010 . 1 . . . . 21 L HA . 15259 1 154 . 1 1 21 21 LEU HB2 H 1 1.836 0.010 . 2 . . . . 21 L HB . 15259 1 155 . 1 1 21 21 LEU HB3 H 1 1.836 0.010 . 2 . . . . 21 L HB . 15259 1 156 . 1 1 21 21 LEU HD11 H 1 0.826 0.010 . 2 . . . . 21 L HD . 15259 1 157 . 1 1 21 21 LEU HD12 H 1 0.826 0.010 . 2 . . . . 21 L HD . 15259 1 158 . 1 1 21 21 LEU HD13 H 1 0.826 0.010 . 2 . . . . 21 L HD . 15259 1 159 . 1 1 21 21 LEU HD21 H 1 0.826 0.010 . 2 . . . . 21 L HD . 15259 1 160 . 1 1 21 21 LEU HD22 H 1 0.826 0.010 . 2 . . . . 21 L HD . 15259 1 161 . 1 1 21 21 LEU HD23 H 1 0.826 0.010 . 2 . . . . 21 L HD . 15259 1 162 . 1 1 21 21 LEU HG H 1 1.488 0.010 . 1 . . . . 21 L HG . 15259 1 163 . 1 1 21 21 LEU N N 15 115.814 0.100 . 1 . . . . 21 L N . 15259 1 164 . 1 1 22 22 GLY H H 1 7.924 0.010 . 1 . . . . 22 G H . 15259 1 165 . 1 1 22 22 GLY HA2 H 1 3.858 0.010 . 2 . . . . 22 G HA . 15259 1 166 . 1 1 22 22 GLY HA3 H 1 3.858 0.010 . 2 . . . . 22 G HA . 15259 1 167 . 1 1 22 22 GLY N N 15 105.736 0.100 . 1 . . . . 22 G N . 15259 1 168 . 1 1 23 23 ASN H H 1 7.839 0.010 . 1 . . . . 23 N H . 15259 1 169 . 1 1 23 23 ASN HA H 1 4.710 0.010 . 1 . . . . 23 N HA . 15259 1 170 . 1 1 23 23 ASN HB2 H 1 2.820 0.010 . 1 . . . . 23 N HB2 . 15259 1 171 . 1 1 23 23 ASN HB3 H 1 2.715 0.010 . 1 . . . . 23 N HB3 . 15259 1 172 . 1 1 23 23 ASN HD21 H 1 7.584 0.010 . 1 . . . . 23 N HD21 . 15259 1 173 . 1 1 23 23 ASN HD22 H 1 7.003 0.010 . 1 . . . . 23 N HD22 . 15259 1 174 . 1 1 23 23 ASN N N 15 118.092 0.100 . 1 . . . . 23 N N . 15259 1 175 . 1 1 23 23 ASN ND2 N 15 112.878 0.100 . 1 . . . . 23 N ND2 . 15259 1 176 . 1 1 24 24 LEU H H 1 7.927 0.010 . 1 . . . . 24 L H . 15259 1 177 . 1 1 24 24 LEU HA H 1 4.207 0.010 . 1 . . . . 24 L HA . 15259 1 178 . 1 1 24 24 LEU HB2 H 1 1.794 0.010 . 2 . . . . 24 L HB . 15259 1 179 . 1 1 24 24 LEU HB3 H 1 1.794 0.010 . 2 . . . . 24 L HB . 15259 1 180 . 1 1 24 24 LEU HD11 H 1 0.866 0.010 . 2 . . . . 24 L HD . 15259 1 181 . 1 1 24 24 LEU HD12 H 1 0.866 0.010 . 2 . . . . 24 L HD . 15259 1 182 . 1 1 24 24 LEU HD13 H 1 0.866 0.010 . 2 . . . . 24 L HD . 15259 1 183 . 1 1 24 24 LEU HD21 H 1 0.866 0.010 . 2 . . . . 24 L HD . 15259 1 184 . 1 1 24 24 LEU HD22 H 1 0.866 0.010 . 2 . . . . 24 L HD . 15259 1 185 . 1 1 24 24 LEU HD23 H 1 0.866 0.010 . 2 . . . . 24 L HD . 15259 1 186 . 1 1 24 24 LEU HG H 1 1.604 0.010 . 1 . . . . 24 L HG . 15259 1 187 . 1 1 24 24 LEU N N 15 120.503 0.100 . 1 . . . . 24 L N . 15259 1 188 . 1 1 25 25 SER H H 1 8.127 0.010 . 1 . . . . 25 S H . 15259 1 189 . 1 1 25 25 SER HA H 1 4.277 0.010 . 1 . . . . 25 S HA . 15259 1 190 . 1 1 25 25 SER HB2 H 1 3.863 0.010 . 2 . . . . 25 S HB . 15259 1 191 . 1 1 25 25 SER HB3 H 1 3.863 0.010 . 2 . . . . 25 S HB . 15259 1 192 . 1 1 25 25 SER N N 15 113.867 0.100 . 1 . . . . 25 S N . 15259 1 193 . 1 1 26 26 ASP H H 1 8.225 0.010 . 1 . . . . 26 D H . 15259 1 194 . 1 1 26 26 ASP HA H 1 4.656 0.010 . 1 . . . . 26 D HA . 15259 1 195 . 1 1 26 26 ASP HB2 H 1 2.888 0.010 . 2 . . . . 26 D HB . 15259 1 196 . 1 1 26 26 ASP HB3 H 1 2.888 0.010 . 2 . . . . 26 D HB . 15259 1 197 . 1 1 26 26 ASP N N 15 119.493 0.100 . 1 . . . . 26 D N . 15259 1 198 . 1 1 27 27 VAL H H 1 7.838 0.010 . 1 . . . . 27 V H . 15259 1 199 . 1 1 27 27 VAL HA H 1 3.967 0.010 . 1 . . . . 27 V HA . 15259 1 200 . 1 1 27 27 VAL HB H 1 2.147 0.010 . 1 . . . . 27 V HB . 15259 1 201 . 1 1 27 27 VAL HG11 H 1 0.961 0.010 . 2 . . . . 27 V HG1 . 15259 1 202 . 1 1 27 27 VAL HG12 H 1 0.961 0.010 . 2 . . . . 27 V HG1 . 15259 1 203 . 1 1 27 27 VAL HG13 H 1 0.961 0.010 . 2 . . . . 27 V HG1 . 15259 1 204 . 1 1 27 27 VAL HG21 H 1 0.923 0.010 . 2 . . . . 27 V HG2 . 15259 1 205 . 1 1 27 27 VAL HG22 H 1 0.923 0.010 . 2 . . . . 27 V HG2 . 15259 1 206 . 1 1 27 27 VAL HG23 H 1 0.923 0.010 . 2 . . . . 27 V HG2 . 15259 1 207 . 1 1 27 27 VAL N N 15 118.559 0.100 . 1 . . . . 27 V N . 15259 1 208 . 1 1 28 28 ASN H H 1 8.335 0.010 . 1 . . . . 28 N H . 15259 1 209 . 1 1 28 28 ASN HA H 1 4.598 0.010 . 1 . . . . 28 N HA . 15259 1 210 . 1 1 28 28 ASN HB2 H 1 2.856 0.010 . 1 . . . . 28 N HB2 . 15259 1 211 . 1 1 28 28 ASN HB3 H 1 2.785 0.010 . 1 . . . . 28 N HB3 . 15259 1 212 . 1 1 28 28 ASN HD21 H 1 6.877 0.010 . 1 . . . . 28 N HD21 . 15259 1 213 . 1 1 28 28 ASN HD22 H 1 7.644 0.010 . 1 . . . . 28 N HD22 . 15259 1 214 . 1 1 28 28 ASN N N 15 120.376 0.100 . 1 . . . . 28 N N . 15259 1 215 . 1 1 28 28 ASN ND2 N 15 112.432 0.100 . 1 . . . . 28 N ND2 . 15259 1 216 . 1 1 29 29 GLN H H 1 8.269 0.010 . 1 . . . . 29 Q H . 15259 1 217 . 1 1 29 29 GLN HA H 1 4.160 0.010 . 1 . . . . 29 Q HA . 15259 1 218 . 1 1 29 29 GLN HB2 H 1 2.117 0.010 . 1 . . . . 29 Q HB2 . 15259 1 219 . 1 1 29 29 GLN HB3 H 1 1.974 0.010 . 1 . . . . 29 Q HB3 . 15259 1 220 . 1 1 29 29 GLN HE21 H 1 7.488 0.010 . 1 . . . . 29 Q HE21 . 15259 1 221 . 1 1 29 29 GLN HE22 H 1 6.822 0.010 . 1 . . . . 29 Q HE22 . 15259 1 222 . 1 1 29 29 GLN HG2 H 1 2.351 0.010 . 2 . . . . 29 Q HG . 15259 1 223 . 1 1 29 29 GLN HG3 H 1 2.351 0.010 . 2 . . . . 29 Q HG . 15259 1 224 . 1 1 29 29 GLN N N 15 119.888 0.100 . 1 . . . . 29 Q N . 15259 1 225 . 1 1 29 29 GLN NE2 N 15 111.912 0.100 . 1 . . . . 29 Q NE2 . 15259 1 226 . 1 1 30 30 ALA H H 1 8.188 0.010 . 1 . . . . 30 A H . 15259 1 227 . 1 1 30 30 ALA HA H 1 4.176 0.010 . 1 . . . . 30 A HA . 15259 1 228 . 1 1 30 30 ALA HB1 H 1 1.390 0.010 . 1 . . . . 30 A HB . 15259 1 229 . 1 1 30 30 ALA HB2 H 1 1.390 0.010 . 1 . . . . 30 A HB . 15259 1 230 . 1 1 30 30 ALA HB3 H 1 1.390 0.010 . 1 . . . . 30 A HB . 15259 1 231 . 1 1 30 30 ALA N N 15 122.938 0.100 . 1 . . . . 30 A N . 15259 1 232 . 1 1 31 31 SER H H 1 8.071 0.010 . 1 . . . . 31 S H . 15259 1 233 . 1 1 31 31 SER HA H 1 4.309 0.010 . 1 . . . . 31 S HA . 15259 1 234 . 1 1 31 31 SER HB2 H 1 3.840 0.010 . 1 . . . . 31 S HB2 . 15259 1 235 . 1 1 31 31 SER HB3 H 1 3.905 0.010 . 1 . . . . 31 S HB3 . 15259 1 236 . 1 1 31 31 SER N N 15 113.393 0.100 . 1 . . . . 31 S N . 15259 1 237 . 1 1 32 32 ARG H H 1 8.132 0.010 . 1 . . . . 32 R H . 15259 1 238 . 1 1 32 32 ARG HA H 1 4.215 0.010 . 1 . . . . 32 R HA . 15259 1 239 . 1 1 32 32 ARG HB2 H 1 1.863 0.010 . 2 . . . . 32 R HB . 15259 1 240 . 1 1 32 32 ARG HB3 H 1 1.863 0.010 . 2 . . . . 32 R HB . 15259 1 241 . 1 1 32 32 ARG HD2 H 1 3.148 0.010 . 2 . . . . 32 R HD . 15259 1 242 . 1 1 32 32 ARG HD3 H 1 3.148 0.010 . 2 . . . . 32 R HD . 15259 1 243 . 1 1 32 32 ARG HE H 1 7.289 0.010 . 1 . . . . 32 R HE . 15259 1 244 . 1 1 32 32 ARG HG2 H 1 1.628 0.010 . 2 . . . . 32 R HG . 15259 1 245 . 1 1 32 32 ARG HG3 H 1 1.628 0.010 . 2 . . . . 32 R HG . 15259 1 246 . 1 1 32 32 ARG N N 15 121.679 0.100 . 1 . . . . 32 R N . 15259 1 247 . 1 1 32 32 ARG NE N 15 84.418 0.100 . 1 . . . . 32 R NE . 15259 1 248 . 1 1 33 33 ILE H H 1 7.812 0.010 . 1 . . . . 33 I H . 15259 1 249 . 1 1 33 33 ILE HA H 1 4.013 0.010 . 1 . . . . 33 I HA . 15259 1 250 . 1 1 33 33 ILE HB H 1 1.830 0.010 . 1 . . . . 33 I HB . 15259 1 251 . 1 1 33 33 ILE HD11 H 1 0.832 0.010 . 1 . . . . 33 I HD1 . 15259 1 252 . 1 1 33 33 ILE HD12 H 1 0.832 0.010 . 1 . . . . 33 I HD1 . 15259 1 253 . 1 1 33 33 ILE HD13 H 1 0.832 0.010 . 1 . . . . 33 I HD1 . 15259 1 254 . 1 1 33 33 ILE HG12 H 1 1.664 0.010 . 2 . . . . 33 I HG1 . 15259 1 255 . 1 1 33 33 ILE HG13 H 1 1.664 0.010 . 2 . . . . 33 I HG1 . 15259 1 256 . 1 1 33 33 ILE HG21 H 1 1.142 0.010 . 1 . . . . 33 I HG2 . 15259 1 257 . 1 1 33 33 ILE HG22 H 1 1.142 0.010 . 1 . . . . 33 I HG2 . 15259 1 258 . 1 1 33 33 ILE HG23 H 1 1.142 0.010 . 1 . . . . 33 I HG2 . 15259 1 259 . 1 1 33 33 ILE N N 15 118.969 0.100 . 1 . . . . 33 I N . 15259 1 260 . 1 1 34 34 ASN H H 1 8.279 0.010 . 1 . . . . 34 N H . 15259 1 261 . 1 1 34 34 ASN HA H 1 4.651 0.010 . 1 . . . . 34 N HA . 15259 1 262 . 1 1 34 34 ASN HB2 H 1 2.809 0.010 . 1 . . . . 34 N HB2 . 15259 1 263 . 1 1 34 34 ASN HB3 H 1 2.703 0.010 . 1 . . . . 34 N HB3 . 15259 1 264 . 1 1 34 34 ASN HD21 H 1 7.587 0.010 . 1 . . . . 34 N HD21 . 15259 1 265 . 1 1 34 34 ASN HD22 H 1 6.875 0.010 . 1 . . . . 34 N HD22 . 15259 1 266 . 1 1 34 34 ASN N N 15 121.552 0.100 . 1 . . . . 34 N N . 15259 1 267 . 1 1 34 34 ASN ND2 N 15 112.400 0.100 . 1 . . . . 34 N ND2 . 15259 1 268 . 1 1 35 35 ARG H H 1 8.185 0.010 . 1 . . . . 35 R H . 15259 1 269 . 1 1 35 35 ARG HA H 1 4.243 0.010 . 1 . . . . 35 R HA . 15259 1 270 . 1 1 35 35 ARG HB2 H 1 1.736 0.010 . 2 . . . . 35 R HB . 15259 1 271 . 1 1 35 35 ARG HB3 H 1 1.736 0.010 . 2 . . . . 35 R HB . 15259 1 272 . 1 1 35 35 ARG HG2 H 1 1.384 0.010 . 2 . . . . 35 R HG . 15259 1 273 . 1 1 35 35 ARG HG3 H 1 1.384 0.010 . 2 . . . . 35 R HG . 15259 1 274 . 1 1 35 35 ARG N N 15 121.452 0.100 . 1 . . . . 35 R N . 15259 1 275 . 1 1 35 35 ARG NE N 15 84.418 0.100 . 1 . . . . 35 R NE . 15259 1 276 . 1 1 36 36 LYS H H 1 8.239 0.010 . 1 . . . . 36 K H . 15259 1 277 . 1 1 36 36 LYS HA H 1 4.238 0.010 . 1 . . . . 36 K HA . 15259 1 278 . 1 1 36 36 LYS HB2 H 1 1.725 0.010 . 1 . . . . 36 K HB . 15259 1 279 . 1 1 36 36 LYS HB3 H 1 1.725 0.010 . 1 . . . . 36 K HB . 15259 1 280 . 1 1 36 36 LYS HD2 H 1 1.836 0.010 . 1 . . . . 36 K HD . 15259 1 281 . 1 1 36 36 LYS HD3 H 1 1.836 0.010 . 1 . . . . 36 K HD . 15259 1 282 . 1 1 36 36 LYS HE2 H 1 3.140 0.010 . 1 . . . . 36 K HE . 15259 1 283 . 1 1 36 36 LYS HE3 H 1 3.140 0.010 . 1 . . . . 36 K HE . 15259 1 284 . 1 1 36 36 LYS HG2 H 1 1.609 0.010 . 1 . . . . 36 K HG . 15259 1 285 . 1 1 36 36 LYS HG3 H 1 1.609 0.010 . 1 . . . . 36 K HG . 15259 1 286 . 1 1 36 36 LYS N N 15 121.679 0.100 . 1 . . . . 36 K N . 15259 1 287 . 1 1 37 37 LYS H H 1 8.239 0.010 . 1 . . . . 37 K H . 15259 1 288 . 1 1 37 37 LYS HA H 1 4.238 0.010 . 1 . . . . 37 K HA . 15259 1 289 . 1 1 37 37 LYS HB2 H 1 1.725 0.010 . 1 . . . . 37 K HB . 15259 1 290 . 1 1 37 37 LYS HB3 H 1 1.725 0.010 . 1 . . . . 37 K HB . 15259 1 291 . 1 1 37 37 LYS HD2 H 1 1.836 0.010 . 1 . . . . 37 K HD . 15259 1 292 . 1 1 37 37 LYS HD3 H 1 1.836 0.010 . 1 . . . . 37 K HD . 15259 1 293 . 1 1 37 37 LYS HE2 H 1 3.140 0.010 . 1 . . . . 37 K HE . 15259 1 294 . 1 1 37 37 LYS HE3 H 1 3.140 0.010 . 1 . . . . 37 K HE . 15259 1 295 . 1 1 37 37 LYS HG2 H 1 1.609 0.010 . 1 . . . . 37 K HG . 15259 1 296 . 1 1 37 37 LYS HG3 H 1 1.609 0.010 . 1 . . . . 37 K HG . 15259 1 297 . 1 1 37 37 LYS N N 15 121.679 0.100 . 1 . . . . 37 K N . 15259 1 298 . 1 1 38 38 LYS H H 1 8.239 0.010 . 1 . . . . 38 K H . 15259 1 299 . 1 1 38 38 LYS HA H 1 4.238 0.010 . 1 . . . . 38 K HA . 15259 1 300 . 1 1 38 38 LYS HB2 H 1 1.725 0.010 . 1 . . . . 38 K HB . 15259 1 301 . 1 1 38 38 LYS HB3 H 1 1.725 0.010 . 1 . . . . 38 K HB . 15259 1 302 . 1 1 38 38 LYS HD2 H 1 1.836 0.010 . 1 . . . . 38 K HD . 15259 1 303 . 1 1 38 38 LYS HD3 H 1 1.836 0.010 . 1 . . . . 38 K HD . 15259 1 304 . 1 1 38 38 LYS HE2 H 1 3.140 0.010 . 1 . . . . 38 K HE . 15259 1 305 . 1 1 38 38 LYS HE3 H 1 3.140 0.010 . 1 . . . . 38 K HE . 15259 1 306 . 1 1 38 38 LYS HG2 H 1 1.609 0.010 . 1 . . . . 38 K HG . 15259 1 307 . 1 1 38 38 LYS HG3 H 1 1.609 0.010 . 1 . . . . 38 K HG . 15259 1 308 . 1 1 38 38 LYS N N 15 121.679 0.100 . 1 . . . . 38 K N . 15259 1 309 . 1 1 39 39 HIS H H 1 8.254 0.010 . 1 . . . . 39 H H . 15259 1 310 . 1 1 39 39 HIS HA H 1 4.508 0.010 . 1 . . . . 39 H HA . 15259 1 311 . 1 1 39 39 HIS HB2 H 1 3.197 0.010 . 1 . . . . 39 H HB2 . 15259 1 312 . 1 1 39 39 HIS HB3 H 1 3.092 0.010 . 1 . . . . 39 H HB3 . 15259 1 313 . 1 1 39 39 HIS N N 15 122.706 0.100 . 1 . . . . 39 H N . 15259 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15259 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $25C _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 6 '2D 1H-15N HSQC' . . . 15259 2 7 '2D 1H-1H TOCSY' . . . 15259 2 8 '2D 1H-1H NOESY' . . . 15259 2 9 '3D 1H-15N TOCSY' . . . 15259 2 10 '3D 1H-15N NOESY' . . . 15259 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR H H 1 8.04 0.01 . 1 . . . . 2 T H . 15259 2 2 . 1 1 2 2 THR HA H 1 4.267 0.02 . 1 . . . . 2 T HA . 15259 2 3 . 1 1 2 2 THR HB H 1 4.208 0.02 . 1 . . . . 2 T HB . 15259 2 4 . 1 1 2 2 THR HG21 H 1 1.244 0.02 . 1 . . . . 2 T HG1 . 15259 2 5 . 1 1 2 2 THR HG22 H 1 1.244 0.02 . 1 . . . . 2 T HG1 . 15259 2 6 . 1 1 2 2 THR HG23 H 1 1.244 0.02 . 1 . . . . 2 T HG1 . 15259 2 7 . 1 1 2 2 THR N N 15 111.883 0.2 . 1 . . . . 2 T N . 15259 2 8 . 1 1 3 3 TRP H H 1 7.613 0.01 . 1 . . . . 3 W H . 15259 2 9 . 1 1 3 3 TRP HA H 1 4.612 0.02 . 1 . . . . 3 W HA . 15259 2 10 . 1 1 3 3 TRP HB2 H 1 3.367 0.02 . 2 . . . . 3 W HB . 15259 2 11 . 1 1 3 3 TRP HB3 H 1 3.367 0.02 . 2 . . . . 3 W HB . 15259 2 12 . 1 1 3 3 TRP HD1 H 1 7.174 0.02 . 1 . . . . 3 W HD1 . 15259 2 13 . 1 1 3 3 TRP HE1 H 1 9.462 0.02 . 1 . . . . 3 W HE1 . 15259 2 14 . 1 1 3 3 TRP HE3 H 1 7.631 0.02 . 1 . . . . 3 W HE3 . 15259 2 15 . 1 1 3 3 TRP HH2 H 1 7.272 0.02 . 1 . . . . 3 W HH2 . 15259 2 16 . 1 1 3 3 TRP HZ2 H 1 7.48 0.02 . 1 . . . . 3 W HZ2 . 15259 2 17 . 1 1 3 3 TRP HZ3 H 1 7.202 0.02 . 1 . . . . 3 W HZ3 . 15259 2 18 . 1 1 3 3 TRP N N 15 118.963 0.2 . 1 . . . . 3 W N . 15259 2 19 . 1 1 3 3 TRP NE1 N 15 126.499 0.2 . 1 . . . . 3 W NE1 . 15259 2 20 . 1 1 4 4 ASP H H 1 7.533 0.01 . 1 . . . . 4 D H . 15259 2 21 . 1 1 4 4 ASP HA H 1 4.595 0.02 . 1 . . . . 4 D HA . 15259 2 22 . 1 1 4 4 ASP HB2 H 1 2.757 0.02 . 1 . . . . 4 D HB2 . 15259 2 23 . 1 1 4 4 ASP HB3 H 1 2.643 0.02 . 1 . . . . 4 D HB3 . 15259 2 24 . 1 1 4 4 ASP N N 15 116.083 0.2 . 1 . . . . 4 D N . 15259 2 25 . 1 1 5 5 ASP H H 1 7.8 0.01 . 1 . . . . 5 D H . 15259 2 26 . 1 1 5 5 ASP HA H 1 4.647 0.02 . 1 . . . . 5 D HA . 15259 2 27 . 1 1 5 5 ASP HB2 H 1 2.981 0.02 . 2 . . . . 5 D HB . 15259 2 28 . 1 1 5 5 ASP HB3 H 1 2.981 0.02 . 2 . . . . 5 D HB . 15259 2 29 . 1 1 5 5 ASP N N 15 117.813 0.2 . 1 . . . . 5 D N . 15259 2 30 . 1 1 6 6 ILE H H 1 7.753 0.01 . 1 . . . . 6 I H . 15259 2 31 . 1 1 6 6 ILE HA H 1 4.041 0.02 . 1 . . . . 6 I HA . 15259 2 32 . 1 1 6 6 ILE HB H 1 1.989 0.02 . 1 . . . . 6 I HB . 15259 2 33 . 1 1 6 6 ILE HD11 H 1 1.002 0.02 . 1 . . . . 6 I HD1 . 15259 2 34 . 1 1 6 6 ILE HD12 H 1 1.002 0.02 . 1 . . . . 6 I HD1 . 15259 2 35 . 1 1 6 6 ILE HD13 H 1 1.002 0.02 . 1 . . . . 6 I HD1 . 15259 2 36 . 1 1 6 6 ILE HG12 H 1 1.293 0.02 . 2 . . . . 6 I HG1 . 15259 2 37 . 1 1 6 6 ILE HG13 H 1 1.293 0.02 . 2 . . . . 6 I HG1 . 15259 2 38 . 1 1 6 6 ILE N N 15 119.511 0.2 . 1 . . . . 6 I N . 15259 2 39 . 1 1 7 7 GLY H H 1 8.128 0.01 . 1 . . . . 7 G H . 15259 2 40 . 1 1 7 7 GLY HA2 H 1 3.88 0.02 . 2 . . . . 7 G HA . 15259 2 41 . 1 1 7 7 GLY HA3 H 1 3.88 0.02 . 2 . . . . 7 G HA . 15259 2 42 . 1 1 7 7 GLY N N 15 107.173 0.2 . 1 . . . . 7 G N . 15259 2 43 . 1 1 8 8 GLN H H 1 7.91 0.01 . 1 . . . . 8 Q H . 15259 2 44 . 1 1 8 8 GLN HA H 1 4.287 0.02 . 1 . . . . 8 Q HA . 15259 2 45 . 1 1 8 8 GLN HB2 H 1 2.227 0.02 . 1 . . . . 8 Q HB2 . 15259 2 46 . 1 1 8 8 GLN HB3 H 1 2.172 0.02 . 1 . . . . 8 Q HB3 . 15259 2 47 . 1 1 8 8 GLN HG2 H 1 2.521 0.02 . 1 . . . . 8 Q HG2 . 15259 2 48 . 1 1 8 8 GLN HG3 H 1 2.452 0.02 . 1 . . . . 8 Q HG3 . 15259 2 49 . 1 1 8 8 GLN N N 15 117.838 0.2 . 1 . . . . 8 Q N . 15259 2 50 . 1 1 9 9 GLY H H 1 8.029 0.01 . 1 . . . . 9 G H . 15259 2 51 . 1 1 9 9 GLY HA2 H 1 4.003 0.02 . 2 . . . . 9 G HA . 15259 2 52 . 1 1 9 9 GLY HA3 H 1 4.003 0.02 . 2 . . . . 9 G HA . 15259 2 53 . 1 1 9 9 GLY N N 15 107.161 0.2 . 1 . . . . 9 G N . 15259 2 54 . 1 1 10 10 ILE H H 1 7.714 0.01 . 1 . . . . 10 I H . 15259 2 55 . 1 1 10 10 ILE HA H 1 4.27 0.02 . 1 . . . . 10 I HA . 15259 2 56 . 1 1 10 10 ILE HB H 1 2.028 0.02 . 1 . . . . 10 I HB . 15259 2 57 . 1 1 10 10 ILE HG12 H 1 1.742 0.02 . 2 . . . . 10 I HG1 . 15259 2 58 . 1 1 10 10 ILE HG13 H 1 1.742 0.02 . 2 . . . . 10 I HG1 . 15259 2 59 . 1 1 10 10 ILE N N 15 119.009 0.2 . 1 . . . . 10 I N . 15259 2 60 . 1 1 11 11 GLY H H 1 8.188 0.01 . 1 . . . . 11 G H . 15259 2 61 . 1 1 11 11 GLY HA2 H 1 3.91 0.02 . 2 . . . . 11 G HA . 15259 2 62 . 1 1 11 11 GLY HA3 H 1 3.91 0.02 . 2 . . . . 11 G HA . 15259 2 63 . 1 1 11 11 GLY N N 15 106.247 0.2 . 1 . . . . 11 G N . 15259 2 64 . 1 1 12 12 ARG H H 1 8.062 0.01 . 1 . . . . 12 R H . 15259 2 65 . 1 1 12 12 ARG HA H 1 4.026 0.02 . 1 . . . . 12 R HA . 15259 2 66 . 1 1 12 12 ARG HB2 H 1 1.986 0.02 . 2 . . . . 12 R HB . 15259 2 67 . 1 1 12 12 ARG HB3 H 1 1.986 0.02 . 2 . . . . 12 R HB . 15259 2 68 . 1 1 12 12 ARG N N 15 121.229 0.2 . 1 . . . . 12 R N . 15259 2 69 . 1 1 13 13 VAL H H 1 7.707 0.01 . 1 . . . . 13 V H . 15259 2 70 . 1 1 13 13 VAL HA H 1 3.962 0.02 . 1 . . . . 13 V HA . 15259 2 71 . 1 1 13 13 VAL HB H 1 2.359 0.02 . 1 . . . . 13 V HB . 15259 2 72 . 1 1 13 13 VAL HG11 H 1 1.109 0.02 . 2 . . . . 13 V HG . 15259 2 73 . 1 1 13 13 VAL HG12 H 1 1.109 0.02 . 2 . . . . 13 V HG . 15259 2 74 . 1 1 13 13 VAL HG13 H 1 1.109 0.02 . 2 . . . . 13 V HG . 15259 2 75 . 1 1 13 13 VAL HG21 H 1 1.109 0.02 . 2 . . . . 13 V HG . 15259 2 76 . 1 1 13 13 VAL HG22 H 1 1.109 0.02 . 2 . . . . 13 V HG . 15259 2 77 . 1 1 13 13 VAL HG23 H 1 1.109 0.02 . 2 . . . . 13 V HG . 15259 2 78 . 1 1 13 13 VAL N N 15 119.009 0.2 . 1 . . . . 13 V N . 15259 2 79 . 1 1 14 14 ALA H H 1 8.451 0.01 . 1 . . . . 14 A H . 15259 2 80 . 1 1 14 14 ALA HA H 1 4.12 0.02 . 1 . . . . 14 A HA . 15259 2 81 . 1 1 14 14 ALA HB1 H 1 1.556 0.02 . 1 . . . . 14 A HB . 15259 2 82 . 1 1 14 14 ALA HB2 H 1 1.556 0.02 . 1 . . . . 14 A HB . 15259 2 83 . 1 1 14 14 ALA HB3 H 1 1.556 0.02 . 1 . . . . 14 A HB . 15259 2 84 . 1 1 14 14 ALA N N 15 120.108 0.2 . 1 . . . . 14 A N . 15259 2 85 . 1 1 15 15 TYR H H 1 8.029 0.01 . 1 . . . . 15 Y H . 15259 2 86 . 1 1 15 15 TYR HA H 1 4.139 0.02 . 1 . . . . 15 Y HA . 15259 2 87 . 1 1 15 15 TYR HB2 H 1 3.168 0.02 . 2 . . . . 15 Y HB . 15259 2 88 . 1 1 15 15 TYR HB3 H 1 3.168 0.02 . 2 . . . . 15 Y HB . 15259 2 89 . 1 1 15 15 TYR HD1 H 1 6.648 0.02 . 3 . . . . 15 Y HD . 15259 2 90 . 1 1 15 15 TYR HD2 H 1 6.648 0.02 . 3 . . . . 15 Y HD . 15259 2 91 . 1 1 15 15 TYR HE1 H 1 6.449 0.02 . 3 . . . . 15 Y HE . 15259 2 92 . 1 1 15 15 TYR HE2 H 1 6.449 0.02 . 3 . . . . 15 Y HE . 15259 2 93 . 1 1 15 15 TYR N N 15 117.85 0.2 . 1 . . . . 15 Y N . 15259 2 94 . 1 1 16 16 TRP H H 1 8.031 0.01 . 1 . . . . 16 W H . 15259 2 95 . 1 1 16 16 TRP HA H 1 4.369 0.02 . 1 . . . . 16 W HA . 15259 2 96 . 1 1 16 16 TRP HB2 H 1 3.575 0.02 . 1 . . . . 16 W HB2 . 15259 2 97 . 1 1 16 16 TRP HB3 H 1 3.507 0.02 . 1 . . . . 16 W HB3 . 15259 2 98 . 1 1 16 16 TRP HD1 H 1 7.447 0.02 . 1 . . . . 16 W HD1 . 15259 2 99 . 1 1 16 16 TRP HE1 H 1 9.396 0.02 . 1 . . . . 16 W HE1 . 15259 2 100 . 1 1 16 16 TRP HE3 H 1 7.73 0.02 . 1 . . . . 16 W HE3 . 15259 2 101 . 1 1 16 16 TRP HH2 H 1 7.3 0.02 . 1 . . . . 16 W HH2 . 15259 2 102 . 1 1 16 16 TRP HZ2 H 1 7.51 0.02 . 1 . . . . 16 W HZ2 . 15259 2 103 . 1 1 16 16 TRP HZ3 H 1 7.181 0.02 . 1 . . . . 16 W HZ3 . 15259 2 104 . 1 1 16 16 TRP N N 15 120.111 0.2 . 1 . . . . 16 W N . 15259 2 105 . 1 1 16 16 TRP NE1 N 15 124.582 0.2 . 1 . . . . 16 W NE1 . 15259 2 106 . 1 1 17 17 VAL H H 1 8.966 0.01 . 1 . . . . 17 V H . 15259 2 107 . 1 1 17 17 VAL HA H 1 3.716 0.02 . 1 . . . . 17 V HA . 15259 2 108 . 1 1 17 17 VAL HB H 1 2.183 0.02 . 1 . . . . 17 V HB . 15259 2 109 . 1 1 17 17 VAL HG11 H 1 1.021 0.02 . 2 . . . . 17 V HG1 . 15259 2 110 . 1 1 17 17 VAL HG12 H 1 1.021 0.02 . 2 . . . . 17 V HG1 . 15259 2 111 . 1 1 17 17 VAL HG13 H 1 1.021 0.02 . 2 . . . . 17 V HG1 . 15259 2 112 . 1 1 17 17 VAL HG21 H 1 1.203 0.02 . 2 . . . . 17 V HG2 . 15259 2 113 . 1 1 17 17 VAL HG22 H 1 1.203 0.02 . 2 . . . . 17 V HG2 . 15259 2 114 . 1 1 17 17 VAL HG23 H 1 1.203 0.02 . 2 . . . . 17 V HG2 . 15259 2 115 . 1 1 17 17 VAL N N 15 120.639 0.2 . 1 . . . . 17 V N . 15259 2 116 . 1 1 18 18 GLY H H 1 8.202 0.01 . 1 . . . . 18 G H . 15259 2 117 . 1 1 18 18 GLY HA2 H 1 3.83 0.02 . 2 . . . . 18 G HA . 15259 2 118 . 1 1 18 18 GLY HA3 H 1 3.83 0.02 . 2 . . . . 18 G HA . 15259 2 119 . 1 1 18 18 GLY N N 15 104.907 0.2 . 1 . . . . 18 G N . 15259 2 120 . 1 1 19 19 LYS H H 1 7.833 0.01 . 1 . . . . 19 K H . 15259 2 121 . 1 1 19 19 LYS HA H 1 4.042 0.02 . 1 . . . . 19 K HA . 15259 2 122 . 1 1 19 19 LYS HB2 H 1 1.837 0.02 . 2 . . . . 19 K HB . 15259 2 123 . 1 1 19 19 LYS HB3 H 1 1.837 0.02 . 2 . . . . 19 K HB . 15259 2 124 . 1 1 19 19 LYS HG2 H 1 1.291 0.02 . 2 . . . . 19 K HG . 15259 2 125 . 1 1 19 19 LYS HG3 H 1 1.291 0.02 . 2 . . . . 19 K HG . 15259 2 126 . 1 1 19 19 LYS N N 15 121.241 0.2 . 1 . . . . 19 K N . 15259 2 127 . 1 1 20 20 ALA H H 1 8.25 0.01 . 1 . . . . 20 A H . 15259 2 128 . 1 1 20 20 ALA HA H 1 4.135 0.02 . 1 . . . . 20 A HA . 15259 2 129 . 1 1 20 20 ALA HB1 H 1 1.535 0.02 . 1 . . . . 20 A HB . 15259 2 130 . 1 1 20 20 ALA HB2 H 1 1.535 0.02 . 1 . . . . 20 A HB . 15259 2 131 . 1 1 20 20 ALA HB3 H 1 1.535 0.02 . 1 . . . . 20 A HB . 15259 2 132 . 1 1 20 20 ALA N N 15 123.47 0.2 . 1 . . . . 20 A N . 15259 2 133 . 1 1 21 21 LEU H H 1 8.747 0.01 . 1 . . . . 21 L H . 15259 2 134 . 1 1 21 21 LEU HA H 1 4.23 0.02 . 1 . . . . 21 L HA . 15259 2 135 . 1 1 21 21 LEU HB2 H 1 1.932 0.02 . 2 . . . . 21 L HB . 15259 2 136 . 1 1 21 21 LEU HB3 H 1 1.932 0.02 . 2 . . . . 21 L HB . 15259 2 137 . 1 1 21 21 LEU HD11 H 1 0.926 0.02 . 2 . . . . 21 L HD . 15259 2 138 . 1 1 21 21 LEU HD12 H 1 0.926 0.02 . 2 . . . . 21 L HD . 15259 2 139 . 1 1 21 21 LEU HD13 H 1 0.926 0.02 . 2 . . . . 21 L HD . 15259 2 140 . 1 1 21 21 LEU HD21 H 1 0.926 0.02 . 2 . . . . 21 L HD . 15259 2 141 . 1 1 21 21 LEU HD22 H 1 0.926 0.02 . 2 . . . . 21 L HD . 15259 2 142 . 1 1 21 21 LEU HD23 H 1 0.926 0.02 . 2 . . . . 21 L HD . 15259 2 143 . 1 1 21 21 LEU HG H 1 1.57 0.02 . 1 . . . . 21 L HG . 15259 2 144 . 1 1 21 21 LEU N N 15 117.62 0.2 . 1 . . . . 21 L N . 15259 2 145 . 1 1 22 22 GLY H H 1 8.348 0.01 . 1 . . . . 22 G H . 15259 2 146 . 1 1 22 22 GLY HA2 H 1 3.87 0.02 . 2 . . . . 22 G HA . 15259 2 147 . 1 1 22 22 GLY HA3 H 1 3.87 0.02 . 2 . . . . 22 G HA . 15259 2 148 . 1 1 22 22 GLY N N 15 108.306 0.2 . 1 . . . . 22 G N . 15259 2 149 . 1 1 23 23 ASN H H 1 8.21 0.01 . 1 . . . . 23 N H . 15259 2 150 . 1 1 23 23 ASN HA H 1 4.616 0.02 . 1 . . . . 23 N HA . 15259 2 151 . 1 1 23 23 ASN HB2 H 1 3.05 0.02 . 1 . . . . 23 N HB2 . 15259 2 152 . 1 1 23 23 ASN HB3 H 1 2.847 0.02 . 1 . . . . 23 N HB3 . 15259 2 153 . 1 1 23 23 ASN HD21 H 1 7.049 0.02 . 1 . . . . 23 N HD21 . 15259 2 154 . 1 1 23 23 ASN HD22 H 1 6.296 0.02 . 1 . . . . 23 N HD22 . 15259 2 155 . 1 1 23 23 ASN N N 15 120.106 0.2 . 1 . . . . 23 N N . 15259 2 156 . 1 1 23 23 ASN ND2 N 15 107.446 0.2 . 1 . . . . 23 N ND2 . 15259 2 157 . 1 1 24 24 LEU H H 1 8.433 0.01 . 1 . . . . 24 L H . 15259 2 158 . 1 1 24 24 LEU HA H 1 4.192 0.02 . 1 . . . . 24 L HA . 15259 2 159 . 1 1 24 24 LEU HB2 H 1 1.906 0.02 . 2 . . . . 24 L HB . 15259 2 160 . 1 1 24 24 LEU HB3 H 1 1.906 0.02 . 2 . . . . 24 L HB . 15259 2 161 . 1 1 24 24 LEU HD11 H 1 0.978 0.02 . 2 . . . . 24 L HD . 15259 2 162 . 1 1 24 24 LEU HD12 H 1 0.978 0.02 . 2 . . . . 24 L HD . 15259 2 163 . 1 1 24 24 LEU HD13 H 1 0.978 0.02 . 2 . . . . 24 L HD . 15259 2 164 . 1 1 24 24 LEU HD21 H 1 0.978 0.02 . 2 . . . . 24 L HD . 15259 2 165 . 1 1 24 24 LEU HD22 H 1 0.978 0.02 . 2 . . . . 24 L HD . 15259 2 166 . 1 1 24 24 LEU HD23 H 1 0.978 0.02 . 2 . . . . 24 L HD . 15259 2 167 . 1 1 24 24 LEU HG H 1 1.561 0.02 . 1 . . . . 24 L HG . 15259 2 168 . 1 1 24 24 LEU N N 15 119.979 0.2 . 1 . . . . 24 L N . 15259 2 169 . 1 1 25 25 SER H H 1 8.439 0.01 . 1 . . . . 25 S H . 15259 2 170 . 1 1 25 25 SER HA H 1 4.268 0.02 . 1 . . . . 25 S HA . 15259 2 171 . 1 1 25 25 SER HB2 H 1 4.081 0.02 . 2 . . . . 25 S HB . 15259 2 172 . 1 1 25 25 SER HB3 H 1 4.081 0.02 . 2 . . . . 25 S HB . 15259 2 173 . 1 1 25 25 SER N N 15 114.516 0.2 . 1 . . . . 25 S N . 15259 2 174 . 1 1 26 26 ASP H H 1 8.159 0.01 . 1 . . . . 26 D H . 15259 2 175 . 1 1 26 26 ASP HA H 1 4.618 0.02 . 1 . . . . 26 D HA . 15259 2 176 . 1 1 26 26 ASP HB2 H 1 3.325 0.02 . 1 . . . . 26 D HB2 . 15259 2 177 . 1 1 26 26 ASP HB3 H 1 2.997 0.02 . 1 . . . . 26 D HB3 . 15259 2 178 . 1 1 26 26 ASP N N 15 121.164 0.2 . 1 . . . . 26 D N . 15259 2 179 . 1 1 27 27 VAL H H 1 8.362 0.01 . 1 . . . . 27 V H . 15259 2 180 . 1 1 27 27 VAL HA H 1 3.802 0.02 . 1 . . . . 27 V HA . 15259 2 181 . 1 1 27 27 VAL HB H 1 2.29 0.02 . 1 . . . . 27 V HB . 15259 2 182 . 1 1 27 27 VAL HG11 H 1 1.041 0.02 . 2 . . . . 27 V HG1 . 15259 2 183 . 1 1 27 27 VAL HG12 H 1 1.041 0.02 . 2 . . . . 27 V HG1 . 15259 2 184 . 1 1 27 27 VAL HG13 H 1 1.041 0.02 . 2 . . . . 27 V HG1 . 15259 2 185 . 1 1 27 27 VAL HG21 H 1 1.167 0.02 . 2 . . . . 27 V HG2 . 15259 2 186 . 1 1 27 27 VAL HG22 H 1 1.167 0.02 . 2 . . . . 27 V HG2 . 15259 2 187 . 1 1 27 27 VAL HG23 H 1 1.167 0.02 . 2 . . . . 27 V HG2 . 15259 2 188 . 1 1 27 27 VAL N N 15 120.084 0.2 . 1 . . . . 27 V N . 15259 2 189 . 1 1 28 28 ASN H H 1 8.475 0.01 . 1 . . . . 28 N H . 15259 2 190 . 1 1 28 28 ASN HA H 1 4.455 0.02 . 1 . . . . 28 N HA . 15259 2 191 . 1 1 28 28 ASN HB2 H 1 3.056 0.02 . 1 . . . . 28 N HB2 . 15259 2 192 . 1 1 28 28 ASN HB3 H 1 2.856 0.02 . 1 . . . . 28 N HB3 . 15259 2 193 . 1 1 28 28 ASN HD21 H 1 7.453 0.02 . 1 . . . . 28 N HD21 . 15259 2 194 . 1 1 28 28 ASN HD22 H 1 6.299 0.02 . 1 . . . . 28 N HD22 . 15259 2 195 . 1 1 28 28 ASN N N 15 119.6 0.2 . 1 . . . . 28 N N . 15259 2 196 . 1 1 28 28 ASN ND2 N 15 108.229 0.2 . 1 . . . . 28 N ND2 . 15259 2 197 . 1 1 29 29 GLN H H 1 8.39 0.01 . 1 . . . . 29 Q H . 15259 2 198 . 1 1 29 29 GLN HA H 1 4.202 0.02 . 1 . . . . 29 Q HA . 15259 2 199 . 1 1 29 29 GLN HB2 H 1 2.528 0.02 . 1 . . . . 29 Q HB2 . 15259 2 200 . 1 1 29 29 GLN HB3 H 1 2.309 0.02 . 1 . . . . 29 Q HB3 . 15259 2 201 . 1 1 29 29 GLN HE21 H 1 6.852 0.02 . 1 . . . . 29 Q HE21 . 15259 2 202 . 1 1 29 29 GLN HE22 H 1 6.287 0.02 . 1 . . . . 29 Q HE22 . 15259 2 203 . 1 1 29 29 GLN N N 15 118.975 0.2 . 1 . . . . 29 Q N . 15259 2 204 . 1 1 29 29 GLN NE2 N 15 106.577 0.2 . 1 . . . . 29 Q NE2 . 15259 2 205 . 1 1 30 30 ALA H H 1 8.699 0.01 . 1 . . . . 30 A H . 15259 2 206 . 1 1 30 30 ALA HA H 1 4.115 0.02 . 1 . . . . 30 A HA . 15259 2 207 . 1 1 30 30 ALA HB1 H 1 1.572 0.02 . 1 . . . . 30 A HB . 15259 2 208 . 1 1 30 30 ALA HB2 H 1 1.572 0.02 . 1 . . . . 30 A HB . 15259 2 209 . 1 1 30 30 ALA HB3 H 1 1.572 0.02 . 1 . . . . 30 A HB . 15259 2 210 . 1 1 30 30 ALA N N 15 121.352 0.2 . 1 . . . . 30 A N . 15259 2 211 . 1 1 31 31 SER H H 1 8.439 0.01 . 1 . . . . 31 S H . 15259 2 212 . 1 1 31 31 SER HA H 1 4.269 0.02 . 1 . . . . 31 S HA . 15259 2 213 . 1 1 31 31 SER HB2 H 1 4.051 0.02 . 2 . . . . 31 S HB . 15259 2 214 . 1 1 31 31 SER HB3 H 1 4.051 0.02 . 2 . . . . 31 S HB . 15259 2 215 . 1 1 31 31 SER N N 15 112.789 0.2 . 1 . . . . 31 S N . 15259 2 216 . 1 1 32 32 ARG H H 1 7.786 0.01 . 1 . . . . 32 R H . 15259 2 217 . 1 1 32 32 ARG HA H 1 4.122 0.02 . 1 . . . . 32 R HA . 15259 2 218 . 1 1 32 32 ARG HB2 H 1 2.077 0.02 . 1 . . . . 32 R HB2 . 15259 2 219 . 1 1 32 32 ARG HB3 H 1 1.989 0.02 . 1 . . . . 32 R HB3 . 15259 2 220 . 1 1 32 32 ARG HD2 H 1 3.25 0.02 . 2 . . . . 32 R HD . 15259 2 221 . 1 1 32 32 ARG HD3 H 1 3.25 0.02 . 2 . . . . 32 R HD . 15259 2 222 . 1 1 32 32 ARG N N 15 121.801 0.2 . 1 . . . . 32 R N . 15259 2 223 . 1 1 33 33 ILE H H 1 8.217 0.01 . 1 . . . . 33 I H . 15259 2 224 . 1 1 33 33 ILE HA H 1 3.786 0.02 . 1 . . . . 33 I HA . 15259 2 225 . 1 1 33 33 ILE HB H 1 2.002 0.02 . 1 . . . . 33 I HB . 15259 2 226 . 1 1 33 33 ILE HG12 H 1 1.221 0.02 . 2 . . . . 33 I HG1 . 15259 2 227 . 1 1 33 33 ILE HG13 H 1 1.221 0.02 . 2 . . . . 33 I HG1 . 15259 2 228 . 1 1 33 33 ILE HG21 H 1 0.962 0.02 . 1 . . . . 33 I HG2 . 15259 2 229 . 1 1 33 33 ILE HG22 H 1 0.962 0.02 . 1 . . . . 33 I HG2 . 15259 2 230 . 1 1 33 33 ILE HG23 H 1 0.962 0.02 . 1 . . . . 33 I HG2 . 15259 2 231 . 1 1 33 33 ILE N N 15 119.411 0.2 . 1 . . . . 33 I N . 15259 2 232 . 1 1 34 34 ASN H H 1 8.334 0.01 . 1 . . . . 34 N H . 15259 2 233 . 1 1 34 34 ASN HA H 1 4.49 0.02 . 1 . . . . 34 N HA . 15259 2 234 . 1 1 34 34 ASN HB2 H 1 2.975 0.02 . 1 . . . . 34 N HB2 . 15259 2 235 . 1 1 34 34 ASN HB3 H 1 2.78 0.02 . 1 . . . . 34 N HB3 . 15259 2 236 . 1 1 34 34 ASN HD21 H 1 7.336 0.02 . 1 . . . . 34 N HD21 . 15259 2 237 . 1 1 34 34 ASN HD22 H 1 6.403 0.02 . 1 . . . . 34 N HD22 . 15259 2 238 . 1 1 34 34 ASN N N 15 116.76 0.2 . 1 . . . . 34 N N . 15259 2 239 . 1 1 34 34 ASN ND2 N 15 108.402 0.2 . 1 . . . . 34 N ND2 . 15259 2 240 . 1 1 35 35 ARG H H 1 7.95 0.01 . 1 . . . . 35 R H . 15259 2 241 . 1 1 35 35 ARG HA H 1 4.188 0.02 . 1 . . . . 35 R HA . 15259 2 242 . 1 1 35 35 ARG HB2 H 1 2.036 0.02 . 2 . . . . 35 R HB . 15259 2 243 . 1 1 35 35 ARG HB3 H 1 2.036 0.02 . 2 . . . . 35 R HB . 15259 2 244 . 1 1 35 35 ARG N N 15 117.85 0.2 . 1 . . . . 35 R N . 15259 2 245 . 1 1 36 36 LYS H H 1 7.808 0.01 . 1 . . . . 36 K H . 15259 2 246 . 1 1 36 36 LYS HA H 1 4.262 0.02 . 1 . . . . 36 K HA . 15259 2 247 . 1 1 36 36 LYS HB2 H 1 1.932 0.02 . 2 . . . . 36 K HB . 15259 2 248 . 1 1 36 36 LYS HB3 H 1 1.932 0.02 . 2 . . . . 36 K HB . 15259 2 249 . 1 1 36 36 LYS HD2 H 1 1.752 0.02 . 2 . . . . 36 K HD . 15259 2 250 . 1 1 36 36 LYS HD3 H 1 1.752 0.02 . 2 . . . . 36 K HD . 15259 2 251 . 1 1 36 36 LYS HE2 H 1 2.998 0.02 . 2 . . . . 36 K HE . 15259 2 252 . 1 1 36 36 LYS HE3 H 1 2.998 0.02 . 2 . . . . 36 K HE . 15259 2 253 . 1 1 36 36 LYS HG2 H 1 1.5 0.02 . 2 . . . . 36 K HG . 15259 2 254 . 1 1 36 36 LYS HG3 H 1 1.5 0.02 . 2 . . . . 36 K HG . 15259 2 255 . 1 1 36 36 LYS N N 15 117.958 0.2 . 1 . . . . 36 K N . 15259 2 256 . 1 1 37 37 LYS H H 1 8.095 0.01 . 1 . . . . 37 K H . 15259 2 257 . 1 1 37 37 LYS HA H 1 4.215 0.02 . 1 . . . . 37 K HA . 15259 2 258 . 1 1 37 37 LYS HB2 H 1 1.685 0.02 . 1 . . . . 37 K HB . 15259 2 259 . 1 1 37 37 LYS HB3 H 1 1.685 0.02 . 1 . . . . 37 K HB . 15259 2 260 . 1 1 37 37 LYS HD2 H 1 1.95 0.02 . 1 . . . . 37 K HD . 15259 2 261 . 1 1 37 37 LYS HD3 H 1 1.95 0.02 . 1 . . . . 37 K HD . 15259 2 262 . 1 1 37 37 LYS HE2 H 1 3.011 0.02 . 1 . . . . 37 K HE . 15259 2 263 . 1 1 37 37 LYS HE3 H 1 3.011 0.02 . 1 . . . . 37 K HE . 15259 2 264 . 1 1 37 37 LYS HG2 H 1 1.508 0.02 . 1 . . . . 37 K HG . 15259 2 265 . 1 1 37 37 LYS HG3 H 1 1.508 0.02 . 1 . . . . 37 K HG . 15259 2 266 . 1 1 37 37 LYS N N 15 117.826 0.2 . 1 . . . . 37 K N . 15259 2 267 . 1 1 38 38 LYS H H 1 8.095 0.01 . 1 . . . . 38 K H . 15259 2 268 . 1 1 38 38 LYS HA H 1 4.215 0.02 . 1 . . . . 38 K HA . 15259 2 269 . 1 1 38 38 LYS HB2 H 1 1.685 0.02 . 1 . . . . 38 K HB . 15259 2 270 . 1 1 38 38 LYS HB3 H 1 1.685 0.02 . 1 . . . . 38 K HB . 15259 2 271 . 1 1 38 38 LYS HD2 H 1 1.95 0.02 . 1 . . . . 38 K HD . 15259 2 272 . 1 1 38 38 LYS HD3 H 1 1.95 0.02 . 1 . . . . 38 K HD . 15259 2 273 . 1 1 38 38 LYS HE2 H 1 3.011 0.02 . 1 . . . . 38 K HE . 15259 2 274 . 1 1 38 38 LYS HE3 H 1 3.011 0.02 . 1 . . . . 38 K HE . 15259 2 275 . 1 1 38 38 LYS HG2 H 1 1.508 0.02 . 1 . . . . 38 K HG . 15259 2 276 . 1 1 38 38 LYS HG3 H 1 1.508 0.02 . 1 . . . . 38 K HG . 15259 2 277 . 1 1 38 38 LYS N N 15 117.826 0.2 . 1 . . . . 38 K N . 15259 2 278 . 1 1 39 39 HIS H H 1 7.952 0.01 . 1 . . . . 39 H H . 15259 2 279 . 1 1 39 39 HIS HA H 1 4.7 0.02 . 1 . . . . 39 H HA . 15259 2 280 . 1 1 39 39 HIS HB2 H 1 3.455 0.02 . 1 . . . . 39 H HB2 . 15259 2 281 . 1 1 39 39 HIS HB3 H 1 3.283 0.02 . 1 . . . . 39 H HB3 . 15259 2 282 . 1 1 39 39 HIS HD2 H 1 7.295 0.02 . 1 . . . . 39 H HD2 . 15259 2 283 . 1 1 39 39 HIS HE1 H 1 8.453 0.02 . 1 . . . . 39 H HE1 . 15259 2 284 . 1 1 39 39 HIS N N 15 116.169 0.2 . 1 . . . . 39 H N . 15259 2 stop_ save_