data_25363 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25363 _Entry.Title ; 1H and 13C chemical shift assignments and structure calculation for crotalicidin in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-24 _Entry.Accession_date 2014-11-24 _Entry.Last_release_date 2015-11-02 _Entry.Original_release_date 2015-11-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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.ORCID _Entry_author.Entry_ID 1 'M. Angeles' Jimenez . . . . 25363 2 Hector Zamora-Carreras . . . . 25363 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25363 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'antimicrobial peptide' . 25363 'antitumor peptide' . 25363 cathelicidin . 25363 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25363 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 25363 '1H chemical shifts' 585 25363 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 . . 2016-02-19 2014-11-24 update BMRB 'update entry citation' 25363 1 . . 2015-11-02 2014-11-24 original author 'original release' 25363 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25366 'crotalicidin Nt' 25363 BMRB 25370 'Crotalicidin Ct' 25363 PDB 2MWT 'BMRB Entry Tracking System' 25363 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25363 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26465972 _Citation.Full_citation . _Citation.Title ; Structural Dissection of Crotalicidin, a Rattlesnake Venom Cathelicidin, Retrieves a Fragment with Antimicrobial and Antitumor Activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 58 _Citation.Journal_issue 21 _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 8553 _Citation.Page_last 8563 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Claudio Borges-Falcao . . . . 25363 1 2 Beatriz 'de la Torre' . G . . 25363 1 3 Clara Perez-Peinado . . . . 25363 1 4 Xavier Mayol . . . . 25363 1 5 Hector Zamora-Carreras . . . . 25363 1 6 'M. Angeles' Jimenez . . . . 25363 1 7 Gandhi Radis-Baptista . . . . 25363 1 8 David Andreu . . . . 25363 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25363 _Assembly.ID 1 _Assembly.Name 'crotalicidin in DPC micelles' _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 crotalicidin 1 $crotalicidin A . yes native no no . . . 25363 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_crotalicidin _Entity.Sf_category entity _Entity.Sf_framecode crotalicidin _Entity.Entry_ID 25363 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name crotalicidin _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 ; KRFKKFFKKVKKSVKKRLKK IFKKPMVIGVTIPF ; _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 34 _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4167.471 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . 25363 1 2 . ARG . 25363 1 3 . PHE . 25363 1 4 . LYS . 25363 1 5 . LYS . 25363 1 6 . PHE . 25363 1 7 . PHE . 25363 1 8 . LYS . 25363 1 9 . LYS . 25363 1 10 . VAL . 25363 1 11 . LYS . 25363 1 12 . LYS . 25363 1 13 . SER . 25363 1 14 . VAL . 25363 1 15 . LYS . 25363 1 16 . LYS . 25363 1 17 . ARG . 25363 1 18 . LEU . 25363 1 19 . LYS . 25363 1 20 . LYS . 25363 1 21 . ILE . 25363 1 22 . PHE . 25363 1 23 . LYS . 25363 1 24 . LYS . 25363 1 25 . PRO . 25363 1 26 . MET . 25363 1 27 . VAL . 25363 1 28 . ILE . 25363 1 29 . GLY . 25363 1 30 . VAL . 25363 1 31 . THR . 25363 1 32 . ILE . 25363 1 33 . PRO . 25363 1 34 . PHE . 25363 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 . LYS 1 1 25363 1 . ARG 2 2 25363 1 . PHE 3 3 25363 1 . LYS 4 4 25363 1 . LYS 5 5 25363 1 . PHE 6 6 25363 1 . PHE 7 7 25363 1 . LYS 8 8 25363 1 . LYS 9 9 25363 1 . VAL 10 10 25363 1 . LYS 11 11 25363 1 . LYS 12 12 25363 1 . SER 13 13 25363 1 . VAL 14 14 25363 1 . LYS 15 15 25363 1 . LYS 16 16 25363 1 . ARG 17 17 25363 1 . LEU 18 18 25363 1 . LYS 19 19 25363 1 . LYS 20 20 25363 1 . ILE 21 21 25363 1 . PHE 22 22 25363 1 . LYS 23 23 25363 1 . LYS 24 24 25363 1 . PRO 25 25 25363 1 . MET 26 26 25363 1 . VAL 27 27 25363 1 . ILE 28 28 25363 1 . GLY 29 29 25363 1 . VAL 30 30 25363 1 . THR 31 31 25363 1 . ILE 32 32 25363 1 . PRO 33 33 25363 1 . PHE 34 34 25363 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 25363 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $crotalicidin . 8731 organism . 'Crotalus durissus' 'tropical rattlesnake' . . Eukaryota Metazoa Crotalus durissus . . . . . . . . . . . . 'South American rattle snake' 25363 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 25363 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $crotalicidin . 'chemical synthesis' . . . . . . . . . . . . . . . . 25363 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25363 _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 crotalicidin 'natural abundance' . . 1 $crotalicidin . . 1 . . mM . . . . 25363 1 2 DPC '[U-98% 2H]' . . . . . . 30 . . mM . . . . 25363 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 25363 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25363 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 crotalicidin 'natural abundance' . . 1 $crotalicidin . . 1 . . mM . . . . 25363 2 2 DPC '[U-98% 2H]' . . . . . . 30 . . mM . . . . 25363 2 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 25363 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25363 _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 . M 25363 1 pH 3.0 . pH 25363 1 pressure 1 . atm 25363 1 temperature 298 . K 25363 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25363 _Sample_condition_list.ID 2 _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 . M 25363 2 pH 3.0 . pH 25363 2 pressure 1 . atm 25363 2 temperature 308 . K 25363 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25363 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25363 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25363 1 'data analysis' 25363 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25363 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25363 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25363 2 processing 25363 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25363 _Software.ID 3 _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' . . 25363 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25363 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25363 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25363 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25363 4 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 25363 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a 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 25363 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'equipped with a cryoprobe' . . 25363 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 25363 _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-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 7 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 12 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 15 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 1 16 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25363 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 25363 _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 na indirect 0.251449530 . . . . . . . . . 25363 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25363 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 25363 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 'Chemical shifts at 298K' _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-1H COSY' . . . 25363 1 2 '2D 1H-1H TOCSY' . . . 25363 1 3 '2D 1H-1H NOESY' . . . 25363 1 7 '2D 1H-1H COSY' . . . 25363 1 8 '2D 1H-1H TOCSY' . . . 25363 1 9 '2D 1H-1H NOESY' . . . 25363 1 10 '2D 1H-13C HSQC aliphatic' . . . 25363 1 11 '2D 1H-13C HSQC aromatic' . . . 25363 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 1 $SPARKY . . 25363 1 2 $TOPSPIN . . 25363 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 LYS HA H 1 4.03 0.01 . 1 . . . A 1 LYS HA . 25363 1 2 . 1 1 1 1 LYS HB2 H 1 1.86 0.01 . 2 . . . A 1 LYS HB2 . 25363 1 3 . 1 1 1 1 LYS HB3 H 1 1.86 0.01 . 2 . . . A 1 LYS HB3 . 25363 1 4 . 1 1 1 1 LYS HE2 H 1 3.02 0.01 . 2 . . . A 1 LYS HE2 . 25363 1 5 . 1 1 1 1 LYS HE3 H 1 3.02 0.01 . 2 . . . A 1 LYS HE3 . 25363 1 6 . 1 1 1 1 LYS CA C 13 55.4 0.1 . 1 . . . A 1 LYS CA . 25363 1 7 . 1 1 2 2 ARG H H 1 8.96 0.01 . 1 . . . A 2 ARG H . 25363 1 8 . 1 1 2 2 ARG HA H 1 4.32 0.01 . 1 . . . A 2 ARG HA . 25363 1 9 . 1 1 2 2 ARG HB2 H 1 1.71 0.01 . 2 . . . A 2 ARG HB2 . 25363 1 10 . 1 1 2 2 ARG HB3 H 1 1.71 0.01 . 2 . . . A 2 ARG HB3 . 25363 1 11 . 1 1 2 2 ARG HG2 H 1 1.45 0.01 . 2 . . . A 2 ARG HG2 . 25363 1 12 . 1 1 2 2 ARG HG3 H 1 1.53 0.01 . 2 . . . A 2 ARG HG3 . 25363 1 13 . 1 1 2 2 ARG HD2 H 1 3.10 0.01 . 2 . . . A 2 ARG HD2 . 25363 1 14 . 1 1 2 2 ARG HD3 H 1 3.10 0.01 . 2 . . . A 2 ARG HD3 . 25363 1 15 . 1 1 2 2 ARG HE H 1 7.42 0.01 . 1 . . . A 2 ARG HE . 25363 1 16 . 1 1 2 2 ARG CA C 13 56.6 0.1 . 1 . . . A 2 ARG CA . 25363 1 17 . 1 1 2 2 ARG CB C 13 30.3 0.1 . 1 . . . A 2 ARG CB . 25363 1 18 . 1 1 2 2 ARG CG C 13 26.4 0.1 . 1 . . . A 2 ARG CG . 25363 1 19 . 1 1 2 2 ARG CD C 13 42.9 0.1 . 1 . . . A 2 ARG CD . 25363 1 20 . 1 1 3 3 PHE H H 1 8.64 0.01 . 1 . . . A 3 PHE H . 25363 1 21 . 1 1 3 3 PHE HA H 1 4.50 0.01 . 1 . . . A 3 PHE HA . 25363 1 22 . 1 1 3 3 PHE HB2 H 1 3.20 0.01 . 2 . . . A 3 PHE HB2 . 25363 1 23 . 1 1 3 3 PHE HB3 H 1 3.20 0.01 . 2 . . . A 3 PHE HB3 . 25363 1 24 . 1 1 3 3 PHE HD1 H 1 7.24 0.01 . 3 . . . A 3 PHE HD1 . 25363 1 25 . 1 1 3 3 PHE HD2 H 1 7.24 0.01 . 3 . . . A 3 PHE HD2 . 25363 1 26 . 1 1 3 3 PHE HE1 H 1 7.33 0.01 . 3 . . . A 3 PHE HE1 . 25363 1 27 . 1 1 3 3 PHE HE2 H 1 7.33 0.01 . 3 . . . A 3 PHE HE2 . 25363 1 28 . 1 1 3 3 PHE CA C 13 59.5 0.1 . 1 . . . A 3 PHE CA . 25363 1 29 . 1 1 3 3 PHE CD1 C 13 132.0 0.1 . 1 . . . A 3 PHE CD1 . 25363 1 30 . 1 1 3 3 PHE CE1 C 13 131.3 0.1 . 1 . . . A 3 PHE CE1 . 25363 1 31 . 1 1 4 4 LYS H H 1 8.27 0.01 . 1 . . . A 4 LYS H . 25363 1 32 . 1 1 4 4 LYS HA H 1 3.98 0.01 . 1 . . . A 4 LYS HA . 25363 1 33 . 1 1 4 4 LYS HB2 H 1 1.78 0.01 . 2 . . . A 4 LYS HB2 . 25363 1 34 . 1 1 4 4 LYS HB3 H 1 1.91 0.01 . 2 . . . A 4 LYS HB3 . 25363 1 35 . 1 1 4 4 LYS HG2 H 1 1.44 0.01 . 2 . . . A 4 LYS HG2 . 25363 1 36 . 1 1 4 4 LYS HG3 H 1 1.57 0.01 . 2 . . . A 4 LYS HG3 . 25363 1 37 . 1 1 4 4 LYS CA C 13 59.6 0.1 . 1 . . . A 4 LYS CA . 25363 1 38 . 1 1 5 5 LYS H H 1 8.23 0.01 . 1 . . . A 5 LYS H . 25363 1 39 . 1 1 5 5 LYS HA H 1 4.05 0.01 . 1 . . . A 5 LYS HA . 25363 1 40 . 1 1 5 5 LYS HB2 H 1 1.85 0.01 . 2 . . . A 5 LYS HB2 . 25363 1 41 . 1 1 5 5 LYS HB3 H 1 1.85 0.01 . 2 . . . A 5 LYS HB3 . 25363 1 42 . 1 1 5 5 LYS HG2 H 1 1.35 0.01 . 2 . . . A 5 LYS HG2 . 25363 1 43 . 1 1 5 5 LYS HG3 H 1 1.45 0.01 . 2 . . . A 5 LYS HG3 . 25363 1 44 . 1 1 5 5 LYS HD2 H 1 1.69 0.01 . 2 . . . A 5 LYS HD2 . 25363 1 45 . 1 1 5 5 LYS HD3 H 1 1.69 0.01 . 2 . . . A 5 LYS HD3 . 25363 1 46 . 1 1 5 5 LYS HE2 H 1 2.96 0.01 . 2 . . . A 5 LYS HE2 . 25363 1 47 . 1 1 5 5 LYS HE3 H 1 2.96 0.01 . 2 . . . A 5 LYS HE3 . 25363 1 48 . 1 1 5 5 LYS CA C 13 58.8 0.1 . 1 . . . A 5 LYS CA . 25363 1 49 . 1 1 6 6 PHE H H 1 8.04 0.01 . 1 . . . A 6 PHE H . 25363 1 50 . 1 1 6 6 PHE HA H 1 4.35 0.01 . 1 . . . A 6 PHE HA . 25363 1 51 . 1 1 6 6 PHE HB2 H 1 3.08 0.01 . 2 . . . A 6 PHE HB2 . 25363 1 52 . 1 1 6 6 PHE HB3 H 1 3.29 0.01 . 2 . . . A 6 PHE HB3 . 25363 1 53 . 1 1 6 6 PHE HD1 H 1 7.11 0.01 . 3 . . . A 6 PHE HD1 . 25363 1 54 . 1 1 6 6 PHE HD2 H 1 7.11 0.01 . 3 . . . A 6 PHE HD2 . 25363 1 55 . 1 1 6 6 PHE HE1 H 1 7.23 0.01 . 3 . . . A 6 PHE HE1 . 25363 1 56 . 1 1 6 6 PHE HE2 H 1 7.23 0.01 . 3 . . . A 6 PHE HE2 . 25363 1 57 . 1 1 6 6 PHE HZ H 1 7.18 0.01 . 1 . . . A 6 PHE HZ . 25363 1 58 . 1 1 6 6 PHE CD2 C 13 132.0 0.1 . 1 . . . A 6 PHE CD2 . 25363 1 59 . 1 1 6 6 PHE CE2 C 13 131.2 0.1 . 1 . . . A 6 PHE CE2 . 25363 1 60 . 1 1 6 6 PHE CZ C 13 129.6 0.1 . 1 . . . A 6 PHE CZ . 25363 1 61 . 1 1 7 7 PHE H H 1 8.59 0.01 . 1 . . . A 7 PHE H . 25363 1 62 . 1 1 7 7 PHE HA H 1 4.13 0.01 . 1 . . . A 7 PHE HA . 25363 1 63 . 1 1 7 7 PHE HB2 H 1 3.14 0.01 . 2 . . . A 7 PHE HB2 . 25363 1 64 . 1 1 7 7 PHE HB3 H 1 3.19 0.01 . 2 . . . A 7 PHE HB3 . 25363 1 65 . 1 1 7 7 PHE HD1 H 1 7.25 0.01 . 3 . . . A 7 PHE HD1 . 25363 1 66 . 1 1 7 7 PHE HD2 H 1 7.25 0.01 . 3 . . . A 7 PHE HD2 . 25363 1 67 . 1 1 7 7 PHE HE1 H 1 7.33 0.01 . 3 . . . A 7 PHE HE1 . 25363 1 68 . 1 1 7 7 PHE HE2 H 1 7.33 0.01 . 3 . . . A 7 PHE HE2 . 25363 1 69 . 1 1 7 7 PHE HZ H 1 7.22 0.01 . 1 . . . A 7 PHE HZ . 25363 1 70 . 1 1 7 7 PHE CA C 13 60.3 0.1 . 1 . . . A 7 PHE CA . 25363 1 71 . 1 1 7 7 PHE CD2 C 13 132.2 0.1 . 1 . . . A 7 PHE CD2 . 25363 1 72 . 1 1 7 7 PHE CE2 C 13 131.3 0.1 . 1 . . . A 7 PHE CE2 . 25363 1 73 . 1 1 7 7 PHE CZ C 13 129.6 0.1 . 1 . . . A 7 PHE CZ . 25363 1 74 . 1 1 8 8 LYS H H 1 8.12 0.01 . 1 . . . A 8 LYS H . 25363 1 75 . 1 1 8 8 LYS HA H 1 3.85 0.01 . 1 . . . A 8 LYS HA . 25363 1 76 . 1 1 8 8 LYS HB2 H 1 1.94 0.01 . 2 . . . A 8 LYS HB2 . 25363 1 77 . 1 1 8 8 LYS HB3 H 1 1.94 0.01 . 2 . . . A 8 LYS HB3 . 25363 1 78 . 1 1 8 8 LYS HG2 H 1 1.49 0.01 . 2 . . . A 8 LYS HG2 . 25363 1 79 . 1 1 8 8 LYS HG3 H 1 1.49 0.01 . 2 . . . A 8 LYS HG3 . 25363 1 80 . 1 1 8 8 LYS HD2 H 1 1.67 0.01 . 2 . . . A 8 LYS HD2 . 25363 1 81 . 1 1 8 8 LYS HD3 H 1 1.73 0.01 . 2 . . . A 8 LYS HD3 . 25363 1 82 . 1 1 8 8 LYS HE2 H 1 3.01 0.01 . 2 . . . A 8 LYS HE2 . 25363 1 83 . 1 1 8 8 LYS HE3 H 1 3.01 0.01 . 2 . . . A 8 LYS HE3 . 25363 1 84 . 1 1 8 8 LYS CA C 13 59.4 0.1 . 1 . . . A 8 LYS CA . 25363 1 85 . 1 1 9 9 LYS H H 1 7.62 0.01 . 1 . . . A 9 LYS H . 25363 1 86 . 1 1 9 9 LYS HA H 1 4.09 0.01 . 1 . . . A 9 LYS HA . 25363 1 87 . 1 1 9 9 LYS HB2 H 1 1.95 0.01 . 2 . . . A 9 LYS HB2 . 25363 1 88 . 1 1 9 9 LYS HB3 H 1 1.95 0.01 . 2 . . . A 9 LYS HB3 . 25363 1 89 . 1 1 9 9 LYS HG2 H 1 1.42 0.01 . 2 . . . A 9 LYS HG2 . 25363 1 90 . 1 1 9 9 LYS HG3 H 1 1.56 0.01 . 2 . . . A 9 LYS HG3 . 25363 1 91 . 1 1 9 9 LYS HD2 H 1 1.72 0.01 . 2 . . . A 9 LYS HD2 . 25363 1 92 . 1 1 9 9 LYS HD3 H 1 1.72 0.01 . 2 . . . A 9 LYS HD3 . 25363 1 93 . 1 1 9 9 LYS HE2 H 1 2.95 0.01 . 2 . . . A 9 LYS HE2 . 25363 1 94 . 1 1 9 9 LYS HE3 H 1 2.95 0.01 . 2 . . . A 9 LYS HE3 . 25363 1 95 . 1 1 9 9 LYS CA C 13 58.4 0.1 . 1 . . . A 9 LYS CA . 25363 1 96 . 1 1 10 10 VAL H H 1 7.96 0.01 . 1 . . . A 10 VAL H . 25363 1 97 . 1 1 10 10 VAL HA H 1 3.74 0.01 . 1 . . . A 10 VAL HA . 25363 1 98 . 1 1 10 10 VAL HB H 1 2.06 0.01 . 1 . . . A 10 VAL HB . 25363 1 99 . 1 1 10 10 VAL HG11 H 1 0.80 0.01 . 2 . . . A 10 VAL HG11 . 25363 1 100 . 1 1 10 10 VAL HG12 H 1 0.80 0.01 . 2 . . . A 10 VAL HG11 . 25363 1 101 . 1 1 10 10 VAL HG13 H 1 0.80 0.01 . 2 . . . A 10 VAL HG11 . 25363 1 102 . 1 1 10 10 VAL HG21 H 1 0.69 0.01 . 2 . . . A 10 VAL HG22 . 25363 1 103 . 1 1 10 10 VAL HG22 H 1 0.69 0.01 . 2 . . . A 10 VAL HG22 . 25363 1 104 . 1 1 10 10 VAL HG23 H 1 0.69 0.01 . 2 . . . A 10 VAL HG22 . 25363 1 105 . 1 1 10 10 VAL CA C 13 64.5 0.1 . 1 . . . A 10 VAL CA . 25363 1 106 . 1 1 10 10 VAL CB C 13 31.3 0.1 . 1 . . . A 10 VAL CB . 25363 1 107 . 1 1 10 10 VAL CG1 C 13 21.0 0.1 . 1 . . . A 10 VAL CG1 . 25363 1 108 . 1 1 10 10 VAL CG2 C 13 21.5 0.1 . 1 . . . A 10 VAL CG2 . 25363 1 109 . 1 1 11 11 LYS H H 1 8.24 0.01 . 1 . . . A 11 LYS H . 25363 1 110 . 1 1 11 11 LYS HA H 1 3.67 0.01 . 1 . . . A 11 LYS HA . 25363 1 111 . 1 1 11 11 LYS HB2 H 1 1.74 0.01 . 2 . . . A 11 LYS HB2 . 25363 1 112 . 1 1 11 11 LYS HB3 H 1 1.66 0.01 . 2 . . . A 11 LYS HB3 . 25363 1 113 . 1 1 11 11 LYS HG2 H 1 1.29 0.01 . 2 . . . A 11 LYS HG2 . 25363 1 114 . 1 1 11 11 LYS HG3 H 1 1.33 0.01 . 2 . . . A 11 LYS HG3 . 25363 1 115 . 1 1 11 11 LYS HD2 H 1 1.66 0.01 . 2 . . . A 11 LYS HD2 . 25363 1 116 . 1 1 11 11 LYS HD3 H 1 1.66 0.01 . 2 . . . A 11 LYS HD3 . 25363 1 117 . 1 1 11 11 LYS HE2 H 1 2.81 0.01 . 2 . . . A 11 LYS HE2 . 25363 1 118 . 1 1 11 11 LYS HE3 H 1 2.81 0.01 . 2 . . . A 11 LYS HE3 . 25363 1 119 . 1 1 11 11 LYS CE C 13 41.0 0.1 . 1 . . . A 11 LYS CE . 25363 1 120 . 1 1 12 12 LYS H H 1 7.87 0.01 . 1 . . . A 12 LYS H . 25363 1 121 . 1 1 12 12 LYS HA H 1 3.98 0.01 . 1 . . . A 12 LYS HA . 25363 1 122 . 1 1 12 12 LYS HB2 H 1 1.91 0.01 . 2 . . . A 12 LYS HB2 . 25363 1 123 . 1 1 12 12 LYS HB3 H 1 1.91 0.01 . 2 . . . A 12 LYS HB3 . 25363 1 124 . 1 1 12 12 LYS HG2 H 1 1.45 0.01 . 2 . . . A 12 LYS HG2 . 25363 1 125 . 1 1 12 12 LYS HG3 H 1 1.59 0.01 . 2 . . . A 12 LYS HG3 . 25363 1 126 . 1 1 12 12 LYS HE2 H 1 2.99 0.01 . 2 . . . A 12 LYS HE2 . 25363 1 127 . 1 1 12 12 LYS HE3 H 1 2.99 0.01 . 2 . . . A 12 LYS HE3 . 25363 1 128 . 1 1 12 12 LYS CA C 13 59.2 0.1 . 1 . . . A 12 LYS CA . 25363 1 129 . 1 1 13 13 SER H H 1 7.98 0.01 . 1 . . . A 13 SER H . 25363 1 130 . 1 1 13 13 SER HA H 1 4.25 0.01 . 1 . . . A 13 SER HA . 25363 1 131 . 1 1 13 13 SER HB2 H 1 3.94 0.01 . 2 . . . A 13 SER HB2 . 25363 1 132 . 1 1 13 13 SER HB3 H 1 4.00 0.01 . 2 . . . A 13 SER HB3 . 25363 1 133 . 1 1 13 13 SER CA C 13 61.2 0.1 . 1 . . . A 13 SER CA . 25363 1 134 . 1 1 13 13 SER CB C 13 62.5 0.1 . 1 . . . A 13 SER CB . 25363 1 135 . 1 1 14 14 VAL H H 1 8.46 0.01 . 1 . . . A 14 VAL H . 25363 1 136 . 1 1 14 14 VAL HA H 1 3.64 0.01 . 1 . . . A 14 VAL HA . 25363 1 137 . 1 1 14 14 VAL HB H 1 2.18 0.01 . 1 . . . A 14 VAL HB . 25363 1 138 . 1 1 14 14 VAL HG11 H 1 0.94 0.01 . 2 . . . A 14 VAL HG11 . 25363 1 139 . 1 1 14 14 VAL HG12 H 1 0.94 0.01 . 2 . . . A 14 VAL HG11 . 25363 1 140 . 1 1 14 14 VAL HG13 H 1 0.94 0.01 . 2 . . . A 14 VAL HG11 . 25363 1 141 . 1 1 14 14 VAL HG21 H 1 1.04 0.01 . 2 . . . A 14 VAL HG22 . 25363 1 142 . 1 1 14 14 VAL HG22 H 1 1.04 0.01 . 2 . . . A 14 VAL HG22 . 25363 1 143 . 1 1 14 14 VAL HG23 H 1 1.04 0.01 . 2 . . . A 14 VAL HG22 . 25363 1 144 . 1 1 14 14 VAL CA C 13 66.1 0.1 . 1 . . . A 14 VAL CA . 25363 1 145 . 1 1 14 14 VAL CB C 13 31.0 0.1 . 1 . . . A 14 VAL CB . 25363 1 146 . 1 1 14 14 VAL CG1 C 13 21.1 0.1 . 1 . . . A 14 VAL CG1 . 25363 1 147 . 1 1 14 14 VAL CG2 C 13 22.9 0.1 . 1 . . . A 14 VAL CG2 . 25363 1 148 . 1 1 15 15 LYS H H 1 8.33 0.01 . 1 . . . A 15 LYS H . 25363 1 149 . 1 1 15 15 LYS HA H 1 3.83 0.01 . 1 . . . A 15 LYS HA . 25363 1 150 . 1 1 15 15 LYS HB2 H 1 1.92 0.01 . 2 . . . A 15 LYS HB2 . 25363 1 151 . 1 1 15 15 LYS HB3 H 1 1.92 0.01 . 2 . . . A 15 LYS HB3 . 25363 1 152 . 1 1 15 15 LYS HG2 H 1 1.37 0.01 . 2 . . . A 15 LYS HG2 . 25363 1 153 . 1 1 15 15 LYS HG3 H 1 1.62 0.01 . 2 . . . A 15 LYS HG3 . 25363 1 154 . 1 1 15 15 LYS HD2 H 1 1.74 0.01 . 2 . . . A 15 LYS HD2 . 25363 1 155 . 1 1 15 15 LYS HD3 H 1 1.74 0.01 . 2 . . . A 15 LYS HD3 . 25363 1 156 . 1 1 15 15 LYS HE2 H 1 2.88 0.01 . 2 . . . A 15 LYS HE2 . 25363 1 157 . 1 1 15 15 LYS HE3 H 1 2.92 0.01 . 2 . . . A 15 LYS HE3 . 25363 1 158 . 1 1 15 15 LYS CA C 13 60.3 0.1 . 1 . . . A 15 LYS CA . 25363 1 159 . 1 1 15 15 LYS CG C 13 25.5 0.1 . 1 . . . A 15 LYS CG . 25363 1 160 . 1 1 15 15 LYS CE C 13 41.0 0.1 . 1 . . . A 15 LYS CE . 25363 1 161 . 1 1 16 16 LYS H H 1 7.76 0.01 . 1 . . . A 16 LYS H . 25363 1 162 . 1 1 16 16 LYS HA H 1 4.02 0.01 . 1 . . . A 16 LYS HA . 25363 1 163 . 1 1 16 16 LYS HB2 H 1 1.95 0.01 . 2 . . . A 16 LYS HB2 . 25363 1 164 . 1 1 16 16 LYS HB3 H 1 1.95 0.01 . 2 . . . A 16 LYS HB3 . 25363 1 165 . 1 1 16 16 LYS HG2 H 1 1.45 0.01 . 2 . . . A 16 LYS HG2 . 25363 1 166 . 1 1 16 16 LYS HG3 H 1 1.60 0.01 . 2 . . . A 16 LYS HG3 . 25363 1 167 . 1 1 16 16 LYS HD2 H 1 1.74 0.01 . 2 . . . A 16 LYS HD2 . 25363 1 168 . 1 1 16 16 LYS HD3 H 1 1.74 0.01 . 2 . . . A 16 LYS HD3 . 25363 1 169 . 1 1 16 16 LYS HE2 H 1 2.99 0.01 . 2 . . . A 16 LYS HE2 . 25363 1 170 . 1 1 16 16 LYS HE3 H 1 2.99 0.01 . 2 . . . A 16 LYS HE3 . 25363 1 171 . 1 1 16 16 LYS CA C 13 58.9 0.1 . 1 . . . A 16 LYS CA . 25363 1 172 . 1 1 17 17 ARG H H 1 7.73 0.01 . 1 . . . A 17 ARG H . 25363 1 173 . 1 1 17 17 ARG HA H 1 4.21 0.01 . 1 . . . A 17 ARG HA . 25363 1 174 . 1 1 17 17 ARG HB2 H 1 1.96 0.01 . 2 . . . A 17 ARG HB2 . 25363 1 175 . 1 1 17 17 ARG HB3 H 1 1.96 0.01 . 2 . . . A 17 ARG HB3 . 25363 1 176 . 1 1 17 17 ARG HG2 H 1 1.78 0.01 . 2 . . . A 17 ARG HG2 . 25363 1 177 . 1 1 17 17 ARG HG3 H 1 1.78 0.01 . 2 . . . A 17 ARG HG3 . 25363 1 178 . 1 1 17 17 ARG HD2 H 1 3.18 0.01 . 2 . . . A 17 ARG HD2 . 25363 1 179 . 1 1 17 17 ARG HD3 H 1 3.24 0.01 . 2 . . . A 17 ARG HD3 . 25363 1 180 . 1 1 17 17 ARG HE H 1 7.69 0.01 . 1 . . . A 17 ARG HE . 25363 1 181 . 1 1 17 17 ARG CA C 13 57.3 0.1 . 1 . . . A 17 ARG CA . 25363 1 182 . 1 1 17 17 ARG CB C 13 29.6 0.1 . 1 . . . A 17 ARG CB . 25363 1 183 . 1 1 17 17 ARG CG C 13 27.1 0.1 . 1 . . . A 17 ARG CG . 25363 1 184 . 1 1 17 17 ARG CD C 13 42.2 0.1 . 1 . . . A 17 ARG CD . 25363 1 185 . 1 1 18 18 LEU H H 1 8.39 0.01 . 1 . . . A 18 LEU H . 25363 1 186 . 1 1 18 18 LEU HA H 1 4.16 0.01 . 1 . . . A 18 LEU HA . 25363 1 187 . 1 1 18 18 LEU HB2 H 1 1.94 0.01 . 2 . . . A 18 LEU HB2 . 25363 1 188 . 1 1 18 18 LEU HB3 H 1 1.56 0.01 . 2 . . . A 18 LEU HB3 . 25363 1 189 . 1 1 18 18 LEU HG H 1 1.95 0.01 . 1 . . . A 18 LEU HG . 25363 1 190 . 1 1 18 18 LEU HD11 H 1 0.91 0.01 . 2 . . . A 18 LEU HD11 . 25363 1 191 . 1 1 18 18 LEU HD12 H 1 0.91 0.01 . 2 . . . A 18 LEU HD11 . 25363 1 192 . 1 1 18 18 LEU HD13 H 1 0.91 0.01 . 2 . . . A 18 LEU HD11 . 25363 1 193 . 1 1 18 18 LEU HD21 H 1 0.91 0.01 . 2 . . . A 18 LEU HD22 . 25363 1 194 . 1 1 18 18 LEU HD22 H 1 0.91 0.01 . 2 . . . A 18 LEU HD22 . 25363 1 195 . 1 1 18 18 LEU HD23 H 1 0.91 0.01 . 2 . . . A 18 LEU HD22 . 25363 1 196 . 1 1 18 18 LEU CA C 13 56.8 0.1 . 1 . . . A 18 LEU CA . 25363 1 197 . 1 1 18 18 LEU CD1 C 13 22.8 0.1 . 1 . . . A 18 LEU CD1 . 25363 1 198 . 1 1 18 18 LEU CD2 C 13 25.6 0.1 . 1 . . . A 18 LEU CD2 . 25363 1 199 . 1 1 19 19 LYS H H 1 7.93 0.01 . 1 . . . A 19 LYS H . 25363 1 200 . 1 1 19 19 LYS HA H 1 4.07 0.01 . 1 . . . A 19 LYS HA . 25363 1 201 . 1 1 19 19 LYS CA C 13 58.5 0.1 . 1 . . . A 19 LYS CA . 25363 1 202 . 1 1 20 20 LYS H H 1 7.45 0.01 . 1 . . . A 20 LYS H . 25363 1 203 . 1 1 20 20 LYS HA H 1 4.16 0.01 . 1 . . . A 20 LYS HA . 25363 1 204 . 1 1 20 20 LYS HB2 H 1 1.93 0.01 . 2 . . . A 20 LYS HB2 . 25363 1 205 . 1 1 20 20 LYS HB3 H 1 1.93 0.01 . 2 . . . A 20 LYS HB3 . 25363 1 206 . 1 1 20 20 LYS HG2 H 1 1.46 0.01 . 2 . . . A 20 LYS HG2 . 25363 1 207 . 1 1 20 20 LYS HG3 H 1 1.57 0.01 . 2 . . . A 20 LYS HG3 . 25363 1 208 . 1 1 20 20 LYS HD2 H 1 1.73 0.01 . 2 . . . A 20 LYS HD2 . 25363 1 209 . 1 1 20 20 LYS HD3 H 1 1.73 0.01 . 2 . . . A 20 LYS HD3 . 25363 1 210 . 1 1 20 20 LYS HE2 H 1 2.99 0.01 . 2 . . . A 20 LYS HE2 . 25363 1 211 . 1 1 20 20 LYS HE3 H 1 2.99 0.01 . 2 . . . A 20 LYS HE3 . 25363 1 212 . 1 1 20 20 LYS CA C 13 57.4 0.1 . 1 . . . A 20 LYS CA . 25363 1 213 . 1 1 21 21 ILE H H 1 7.60 0.01 . 1 . . . A 21 ILE H . 25363 1 214 . 1 1 21 21 ILE HA H 1 3.89 0.01 . 1 . . . A 21 ILE HA . 25363 1 215 . 1 1 21 21 ILE HB H 1 1.75 0.01 . 1 . . . A 21 ILE HB . 25363 1 216 . 1 1 21 21 ILE HG12 H 1 1.16 0.01 . 2 . . . A 21 ILE HG12 . 25363 1 217 . 1 1 21 21 ILE HG13 H 1 1.56 0.01 . 2 . . . A 21 ILE HG13 . 25363 1 218 . 1 1 21 21 ILE HG21 H 1 0.55 0.01 . 1 . . . A 21 ILE HG21 . 25363 1 219 . 1 1 21 21 ILE HG22 H 1 0.55 0.01 . 1 . . . A 21 ILE HG22 . 25363 1 220 . 1 1 21 21 ILE HG23 H 1 0.55 0.01 . 1 . . . A 21 ILE HG23 . 25363 1 221 . 1 1 21 21 ILE HD11 H 1 0.81 0.01 . 1 . . . A 21 ILE HD11 . 25363 1 222 . 1 1 21 21 ILE HD12 H 1 0.81 0.01 . 1 . . . A 21 ILE HD12 . 25363 1 223 . 1 1 21 21 ILE HD13 H 1 0.81 0.01 . 1 . . . A 21 ILE HD13 . 25363 1 224 . 1 1 21 21 ILE CA C 13 62.6 0.1 . 1 . . . A 21 ILE CA . 25363 1 225 . 1 1 21 21 ILE CB C 13 38.3 0.1 . 1 . . . A 21 ILE CB . 25363 1 226 . 1 1 21 21 ILE CG1 C 13 27.5 0.1 . 1 . . . A 21 ILE CG1 . 25363 1 227 . 1 1 21 21 ILE CG2 C 13 16.7 0.1 . 1 . . . A 21 ILE CG2 . 25363 1 228 . 1 1 21 21 ILE CD1 C 13 13.3 0.1 . 1 . . . A 21 ILE CD1 . 25363 1 229 . 1 1 22 22 PHE H H 1 7.94 0.01 . 1 . . . A 22 PHE H . 25363 1 230 . 1 1 22 22 PHE HA H 1 4.63 0.01 . 1 . . . A 22 PHE HA . 25363 1 231 . 1 1 22 22 PHE HB2 H 1 2.95 0.01 . 2 . . . A 22 PHE HB2 . 25363 1 232 . 1 1 22 22 PHE HB3 H 1 3.29 0.01 . 2 . . . A 22 PHE HB3 . 25363 1 233 . 1 1 22 22 PHE HD1 H 1 7.39 0.01 . 3 . . . A 22 PHE HD1 . 25363 1 234 . 1 1 22 22 PHE HD2 H 1 7.39 0.01 . 3 . . . A 22 PHE HD2 . 25363 1 235 . 1 1 22 22 PHE HE1 H 1 7.24 0.01 . 3 . . . A 22 PHE HE1 . 25363 1 236 . 1 1 22 22 PHE HE2 H 1 7.24 0.01 . 3 . . . A 22 PHE HE2 . 25363 1 237 . 1 1 22 22 PHE HZ H 1 7.13 0.01 . 1 . . . A 22 PHE HZ . 25363 1 238 . 1 1 22 22 PHE CA C 13 57.4 0.1 . 1 . . . A 22 PHE CA . 25363 1 239 . 1 1 22 22 PHE CD2 C 13 132.3 0.1 . 1 . . . A 22 PHE CD2 . 25363 1 240 . 1 1 22 22 PHE CZ C 13 129.2 0.1 . 1 . . . A 22 PHE CZ . 25363 1 241 . 1 1 23 23 LYS H H 1 7.82 0.01 . 1 . . . A 23 LYS H . 25363 1 242 . 1 1 23 23 LYS HA H 1 4.28 0.01 . 1 . . . A 23 LYS HA . 25363 1 243 . 1 1 23 23 LYS HB2 H 1 1.85 0.01 . 2 . . . A 23 LYS HB2 . 25363 1 244 . 1 1 23 23 LYS HB3 H 1 1.92 0.01 . 2 . . . A 23 LYS HB3 . 25363 1 245 . 1 1 23 23 LYS HG2 H 1 1.47 0.01 . 2 . . . A 23 LYS HG2 . 25363 1 246 . 1 1 23 23 LYS HG3 H 1 1.47 0.01 . 2 . . . A 23 LYS HG3 . 25363 1 247 . 1 1 23 23 LYS HD2 H 1 1.72 0.01 . 2 . . . A 23 LYS HD2 . 25363 1 248 . 1 1 23 23 LYS HD3 H 1 1.72 0.01 . 2 . . . A 23 LYS HD3 . 25363 1 249 . 1 1 23 23 LYS CA C 13 56.4 0.1 . 1 . . . A 23 LYS CA . 25363 1 250 . 1 1 24 24 LYS H H 1 8.03 0.01 . 1 . . . A 24 LYS H . 25363 1 251 . 1 1 24 24 LYS HA H 1 4.62 0.01 . 1 . . . A 24 LYS HA . 25363 1 252 . 1 1 24 24 LYS HB2 H 1 1.78 0.01 . 2 . . . A 24 LYS HB2 . 25363 1 253 . 1 1 24 24 LYS HB3 H 1 1.90 0.01 . 2 . . . A 24 LYS HB3 . 25363 1 254 . 1 1 24 24 LYS HG2 H 1 1.48 0.01 . 2 . . . A 24 LYS HG2 . 25363 1 255 . 1 1 24 24 LYS HG3 H 1 1.48 0.01 . 2 . . . A 24 LYS HG3 . 25363 1 256 . 1 1 24 24 LYS HD2 H 1 1.74 0.01 . 2 . . . A 24 LYS HD2 . 25363 1 257 . 1 1 24 24 LYS HD3 H 1 1.74 0.01 . 2 . . . A 24 LYS HD3 . 25363 1 258 . 1 1 24 24 LYS HE2 H 1 3.01 0.01 . 2 . . . A 24 LYS HE2 . 25363 1 259 . 1 1 24 24 LYS HE3 H 1 3.01 0.01 . 2 . . . A 24 LYS HE3 . 25363 1 260 . 1 1 24 24 LYS CA C 13 53.7 0.1 . 1 . . . A 24 LYS CA . 25363 1 261 . 1 1 25 25 PRO HA H 1 4.41 0.01 . 1 . . . A 25 PRO HA . 25363 1 262 . 1 1 25 25 PRO HB2 H 1 1.90 0.01 . 2 . . . A 25 PRO HB2 . 25363 1 263 . 1 1 25 25 PRO HB3 H 1 2.28 0.01 . 2 . . . A 25 PRO HB3 . 25363 1 264 . 1 1 25 25 PRO HG2 H 1 2.00 0.01 . 2 . . . A 25 PRO HG2 . 25363 1 265 . 1 1 25 25 PRO HG3 H 1 2.09 0.01 . 2 . . . A 25 PRO HG3 . 25363 1 266 . 1 1 25 25 PRO HD2 H 1 3.66 0.01 . 2 . . . A 25 PRO HD2 . 25363 1 267 . 1 1 25 25 PRO HD3 H 1 3.85 0.01 . 2 . . . A 25 PRO HD3 . 25363 1 268 . 1 1 25 25 PRO CA C 13 63.0 0.1 . 1 . . . A 25 PRO CA . 25363 1 269 . 1 1 25 25 PRO CB C 13 31.2 0.1 . 1 . . . A 25 PRO CB . 25363 1 270 . 1 1 25 25 PRO CG C 13 27.1 0.1 . 1 . . . A 25 PRO CG . 25363 1 271 . 1 1 26 26 MET H H 1 8.42 0.01 . 1 . . . A 26 MET H . 25363 1 272 . 1 1 26 26 MET HA H 1 4.50 0.01 . 1 . . . A 26 MET HA . 25363 1 273 . 1 1 26 26 MET HB2 H 1 2.01 0.01 . 2 . . . A 26 MET HB2 . 25363 1 274 . 1 1 26 26 MET HB3 H 1 2.01 0.01 . 2 . . . A 26 MET HB3 . 25363 1 275 . 1 1 26 26 MET HG2 H 1 2.51 0.01 . 2 . . . A 26 MET HG2 . 25363 1 276 . 1 1 26 26 MET HG3 H 1 2.51 0.01 . 2 . . . A 26 MET HG3 . 25363 1 277 . 1 1 26 26 MET HE1 H 1 2.00 0.01 . 1 . . . A 26 MET HE1 . 25363 1 278 . 1 1 26 26 MET HE2 H 1 2.00 0.01 . 1 . . . A 26 MET HE2 . 25363 1 279 . 1 1 26 26 MET HE3 H 1 2.00 0.01 . 1 . . . A 26 MET HE3 . 25363 1 280 . 1 1 26 26 MET CA C 13 55.1 0.1 . 1 . . . A 26 MET CA . 25363 1 281 . 1 1 26 26 MET CB C 13 33.1 0.1 . 1 . . . A 26 MET CB . 25363 1 282 . 1 1 26 26 MET CG C 13 31.5 0.1 . 1 . . . A 26 MET CG . 25363 1 283 . 1 1 26 26 MET CE C 13 16.6 0.1 . 1 . . . A 26 MET CE . 25363 1 284 . 1 1 27 27 VAL H H 1 8.21 0.01 . 1 . . . A 27 VAL H . 25363 1 285 . 1 1 27 27 VAL HA H 1 4.16 0.01 . 1 . . . A 27 VAL HA . 25363 1 286 . 1 1 27 27 VAL HB H 1 2.09 0.01 . 1 . . . A 27 VAL HB . 25363 1 287 . 1 1 27 27 VAL HG11 H 1 0.90 0.01 . 2 . . . A 27 VAL HG11 . 25363 1 288 . 1 1 27 27 VAL HG12 H 1 0.90 0.01 . 2 . . . A 27 VAL HG11 . 25363 1 289 . 1 1 27 27 VAL HG13 H 1 0.90 0.01 . 2 . . . A 27 VAL HG11 . 25363 1 290 . 1 1 27 27 VAL HG21 H 1 0.93 0.01 . 2 . . . A 27 VAL HG22 . 25363 1 291 . 1 1 27 27 VAL HG22 H 1 0.93 0.01 . 2 . . . A 27 VAL HG22 . 25363 1 292 . 1 1 27 27 VAL HG23 H 1 0.93 0.01 . 2 . . . A 27 VAL HG22 . 25363 1 293 . 1 1 27 27 VAL CA C 13 61.6 0.1 . 1 . . . A 27 VAL CA . 25363 1 294 . 1 1 27 27 VAL CB C 13 32.3 0.1 . 1 . . . A 27 VAL CB . 25363 1 295 . 1 1 27 27 VAL CG1 C 13 20.8 0.1 . 1 . . . A 27 VAL CG1 . 25363 1 296 . 1 1 27 27 VAL CG2 C 13 20.2 0.1 . 1 . . . A 27 VAL CG2 . 25363 1 297 . 1 1 28 28 ILE H H 1 8.29 0.01 . 1 . . . A 28 ILE H . 25363 1 298 . 1 1 28 28 ILE HA H 1 4.15 0.01 . 1 . . . A 28 ILE HA . 25363 1 299 . 1 1 28 28 ILE HB H 1 1.94 0.01 . 1 . . . A 28 ILE HB . 25363 1 300 . 1 1 28 28 ILE HG12 H 1 1.20 0.01 . 2 . . . A 28 ILE HG12 . 25363 1 301 . 1 1 28 28 ILE HG13 H 1 1.56 0.01 . 2 . . . A 28 ILE HG13 . 25363 1 302 . 1 1 28 28 ILE HG21 H 1 0.95 0.01 . 1 . . . A 28 ILE HG21 . 25363 1 303 . 1 1 28 28 ILE HG22 H 1 0.95 0.01 . 1 . . . A 28 ILE HG22 . 25363 1 304 . 1 1 28 28 ILE HG23 H 1 0.95 0.01 . 1 . . . A 28 ILE HG23 . 25363 1 305 . 1 1 28 28 ILE HD11 H 1 0.88 0.01 . 1 . . . A 28 ILE HD11 . 25363 1 306 . 1 1 28 28 ILE HD12 H 1 0.88 0.01 . 1 . . . A 28 ILE HD12 . 25363 1 307 . 1 1 28 28 ILE HD13 H 1 0.88 0.01 . 1 . . . A 28 ILE HD13 . 25363 1 308 . 1 1 28 28 ILE CA C 13 60.8 0.1 . 1 . . . A 28 ILE CA . 25363 1 309 . 1 1 28 28 ILE CB C 13 38.2 0.1 . 1 . . . A 28 ILE CB . 25363 1 310 . 1 1 28 28 ILE CG1 C 13 27.1 0.1 . 1 . . . A 28 ILE CG1 . 25363 1 311 . 1 1 28 28 ILE CG2 C 13 17.3 0.1 . 1 . . . A 28 ILE CG2 . 25363 1 312 . 1 1 28 28 ILE CD1 C 13 12.7 0.1 . 1 . . . A 28 ILE CD1 . 25363 1 313 . 1 1 29 29 GLY H H 1 8.56 0.01 . 1 . . . A 29 GLY H . 25363 1 314 . 1 1 29 29 GLY HA2 H 1 3.94 0.01 . 2 . . . A 29 GLY HA2 . 25363 1 315 . 1 1 29 29 GLY HA3 H 1 3.94 0.01 . 2 . . . A 29 GLY HA3 . 25363 1 316 . 1 1 29 29 GLY CA C 13 45.1 0.1 . 1 . . . A 29 GLY CA . 25363 1 317 . 1 1 30 30 VAL H H 1 7.66 0.01 . 1 . . . A 30 VAL H . 25363 1 318 . 1 1 30 30 VAL HA H 1 4.27 0.01 . 1 . . . A 30 VAL HA . 25363 1 319 . 1 1 30 30 VAL HB H 1 2.12 0.01 . 1 . . . A 30 VAL HB . 25363 1 320 . 1 1 30 30 VAL HG11 H 1 0.92 0.01 . 2 . . . A 30 VAL HG11 . 25363 1 321 . 1 1 30 30 VAL HG12 H 1 0.92 0.01 . 2 . . . A 30 VAL HG11 . 25363 1 322 . 1 1 30 30 VAL HG13 H 1 0.92 0.01 . 2 . . . A 30 VAL HG11 . 25363 1 323 . 1 1 30 30 VAL HG21 H 1 0.94 0.01 . 2 . . . A 30 VAL HG22 . 25363 1 324 . 1 1 30 30 VAL HG22 H 1 0.94 0.01 . 2 . . . A 30 VAL HG22 . 25363 1 325 . 1 1 30 30 VAL HG23 H 1 0.94 0.01 . 2 . . . A 30 VAL HG22 . 25363 1 326 . 1 1 30 30 VAL CA C 13 60.9 0.1 . 1 . . . A 30 VAL CA . 25363 1 327 . 1 1 30 30 VAL CB C 13 32.9 0.1 . 1 . . . A 30 VAL CB . 25363 1 328 . 1 1 30 30 VAL CG1 C 13 20.0 0.1 . 1 . . . A 30 VAL CG1 . 25363 1 329 . 1 1 30 30 VAL CG2 C 13 20.9 0.1 . 1 . . . A 30 VAL CG2 . 25363 1 330 . 1 1 31 31 THR H H 1 8.26 0.01 . 1 . . . A 31 THR H . 25363 1 331 . 1 1 31 31 THR HA H 1 4.35 0.01 . 1 . . . A 31 THR HA . 25363 1 332 . 1 1 31 31 THR HB H 1 4.08 0.01 . 1 . . . A 31 THR HB . 25363 1 333 . 1 1 31 31 THR HG21 H 1 1.14 0.01 . 1 . . . A 31 THR HG22 . 25363 1 334 . 1 1 31 31 THR HG22 H 1 1.14 0.01 . 1 . . . A 31 THR HG22 . 25363 1 335 . 1 1 31 31 THR HG23 H 1 1.14 0.01 . 1 . . . A 31 THR HG22 . 25363 1 336 . 1 1 31 31 THR CA C 13 61.3 0.1 . 1 . . . A 31 THR CA . 25363 1 337 . 1 1 31 31 THR CB C 13 69.0 0.1 . 1 . . . A 31 THR CB . 25363 1 338 . 1 1 31 31 THR CG2 C 13 21.0 0.1 . 1 . . . A 31 THR CG2 . 25363 1 339 . 1 1 32 32 ILE H H 1 8.31 0.01 . 1 . . . A 32 ILE H . 25363 1 340 . 1 1 32 32 ILE HA H 1 4.32 0.01 . 1 . . . A 32 ILE HA . 25363 1 341 . 1 1 32 32 ILE HB H 1 1.88 0.01 . 1 . . . A 32 ILE HB . 25363 1 342 . 1 1 32 32 ILE HG12 H 1 1.19 0.01 . 2 . . . A 32 ILE HG12 . 25363 1 343 . 1 1 32 32 ILE HG13 H 1 1.57 0.01 . 2 . . . A 32 ILE HG13 . 25363 1 344 . 1 1 32 32 ILE HG21 H 1 0.81 0.01 . 1 . . . A 32 ILE HG21 . 25363 1 345 . 1 1 32 32 ILE HG22 H 1 0.81 0.01 . 1 . . . A 32 ILE HG22 . 25363 1 346 . 1 1 32 32 ILE HG23 H 1 0.81 0.01 . 1 . . . A 32 ILE HG23 . 25363 1 347 . 1 1 32 32 ILE HD11 H 1 0.85 0.01 . 1 . . . A 32 ILE HD11 . 25363 1 348 . 1 1 32 32 ILE HD12 H 1 0.85 0.01 . 1 . . . A 32 ILE HD12 . 25363 1 349 . 1 1 32 32 ILE HD13 H 1 0.85 0.01 . 1 . . . A 32 ILE HD13 . 25363 1 350 . 1 1 32 32 ILE CA C 13 57.8 0.1 . 1 . . . A 32 ILE CA . 25363 1 351 . 1 1 32 32 ILE CB C 13 37.7 0.1 . 1 . . . A 32 ILE CB . 25363 1 352 . 1 1 32 32 ILE CG1 C 13 26.9 0.1 . 1 . . . A 32 ILE CG1 . 25363 1 353 . 1 1 32 32 ILE CG2 C 13 17.0 0.1 . 1 . . . A 32 ILE CG2 . 25363 1 354 . 1 1 32 32 ILE CD1 C 13 12.2 0.1 . 1 . . . A 32 ILE CD1 . 25363 1 355 . 1 1 33 33 PRO HA H 1 4.47 0.01 . 1 . . . A 33 PRO HA . 25363 1 356 . 1 1 33 33 PRO HB2 H 1 1.86 0.01 . 2 . . . A 33 PRO HB2 . 25363 1 357 . 1 1 33 33 PRO HB3 H 1 2.07 0.01 . 2 . . . A 33 PRO HB3 . 25363 1 358 . 1 1 33 33 PRO HG2 H 1 1.74 0.01 . 2 . . . A 33 PRO HG2 . 25363 1 359 . 1 1 33 33 PRO HG3 H 1 1.94 0.01 . 2 . . . A 33 PRO HG3 . 25363 1 360 . 1 1 33 33 PRO HD2 H 1 3.41 0.01 . 2 . . . A 33 PRO HD2 . 25363 1 361 . 1 1 33 33 PRO HD3 H 1 3.89 0.01 . 2 . . . A 33 PRO HD3 . 25363 1 362 . 1 1 33 33 PRO CA C 13 62.9 0.1 . 1 . . . A 33 PRO CA . 25363 1 363 . 1 1 33 33 PRO CB C 13 30.4 0.1 . 1 . . . A 33 PRO CB . 25363 1 364 . 1 1 33 33 PRO CG C 13 26.6 0.1 . 1 . . . A 33 PRO CG . 25363 1 365 . 1 1 33 33 PRO CD C 13 50.1 0.1 . 1 . . . A 33 PRO CD . 25363 1 366 . 1 1 34 34 PHE H H 1 7.46 0.01 . 1 . . . A 34 PHE H . 25363 1 367 . 1 1 34 34 PHE HA H 1 4.60 0.01 . 1 . . . A 34 PHE HA . 25363 1 368 . 1 1 34 34 PHE HB2 H 1 3.02 0.01 . 2 . . . A 34 PHE HB2 . 25363 1 369 . 1 1 34 34 PHE HB3 H 1 3.21 0.01 . 2 . . . A 34 PHE HB3 . 25363 1 370 . 1 1 34 34 PHE HD1 H 1 7.25 0.01 . 3 . . . A 34 PHE HD1 . 25363 1 371 . 1 1 34 34 PHE HD2 H 1 7.25 0.01 . 3 . . . A 34 PHE HD2 . 25363 1 372 . 1 1 34 34 PHE HE1 H 1 7.27 0.01 . 3 . . . A 34 PHE HE1 . 25363 1 373 . 1 1 34 34 PHE HE2 H 1 7.27 0.01 . 3 . . . A 34 PHE HE2 . 25363 1 374 . 1 1 34 34 PHE CA C 13 56.3 0.1 . 1 . . . A 34 PHE CA . 25363 1 375 . 1 1 34 34 PHE CB C 13 39.5 0.1 . 1 . . . A 34 PHE CB . 25363 1 376 . 1 1 34 34 PHE CD2 C 13 132.3 0.1 . 1 . . . A 34 PHE CD2 . 25363 1 377 . 1 1 34 34 PHE CE2 C 13 131.3 0.1 . 1 . . . A 34 PHE CE2 . 25363 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 25363 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 'Chemical shifts at 308K' _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 4 '2D 1H-1H COSY' . . . 25363 2 5 '2D 1H-1H TOCSY' . . . 25363 2 6 '2D 1H-1H NOESY' . . . 25363 2 12 '2D 1H-1H COSY' . . . 25363 2 13 '2D 1H-1H TOCSY' . . . 25363 2 14 '2D 1H-1H NOESY' . . . 25363 2 15 '2D 1H-13C HSQC aliphatic' . . . 25363 2 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 1 $SPARKY . . 25363 2 2 $TOPSPIN . . 25363 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 1 1 LYS HA H 1 4.03 0.01 . 1 . . . A 1 LYS HA . 25363 2 2 . 1 1 1 1 LYS HB2 H 1 1.87 0.01 . 2 . . . A 1 LYS HB2 . 25363 2 3 . 1 1 1 1 LYS HB3 H 1 1.87 0.01 . 2 . . . A 1 LYS HB3 . 25363 2 4 . 1 1 1 1 LYS HG2 H 1 1.45 0.01 . 2 . . . A 1 LYS HG2 . 25363 2 5 . 1 1 1 1 LYS HG3 H 1 1.45 0.01 . 2 . . . A 1 LYS HG3 . 25363 2 6 . 1 1 1 1 LYS HD2 H 1 1.74 0.01 . 2 . . . A 1 LYS HD2 . 25363 2 7 . 1 1 1 1 LYS HD3 H 1 1.74 0.01 . 2 . . . A 1 LYS HD3 . 25363 2 8 . 1 1 1 1 LYS HE2 H 1 3.02 0.01 . 2 . . . A 1 LYS HE2 . 25363 2 9 . 1 1 1 1 LYS HE3 H 1 3.02 0.01 . 2 . . . A 1 LYS HE3 . 25363 2 10 . 1 1 1 1 LYS CA C 13 55.4 0.1 . 1 . . . A 1 LYS CA . 25363 2 11 . 1 1 1 1 LYS CE C 13 41.4 0.1 . 1 . . . A 1 LYS CE . 25363 2 12 . 1 1 2 2 ARG HA H 1 4.34 0.01 . 1 . . . A 2 ARG HA . 25363 2 13 . 1 1 2 2 ARG HB2 H 1 1.72 0.01 . 2 . . . A 2 ARG HB2 . 25363 2 14 . 1 1 2 2 ARG HB3 H 1 1.72 0.01 . 2 . . . A 2 ARG HB3 . 25363 2 15 . 1 1 2 2 ARG HG2 H 1 1.48 0.01 . 2 . . . A 2 ARG HG2 . 25363 2 16 . 1 1 2 2 ARG HG3 H 1 1.55 0.01 . 2 . . . A 2 ARG HG3 . 25363 2 17 . 1 1 2 2 ARG HD2 H 1 3.12 0.01 . 2 . . . A 2 ARG HD2 . 25363 2 18 . 1 1 2 2 ARG HD3 H 1 3.12 0.01 . 2 . . . A 2 ARG HD3 . 25363 2 19 . 1 1 2 2 ARG HE H 1 7.39 0.01 . 1 . . . A 2 ARG HE . 25363 2 20 . 1 1 2 2 ARG CA C 13 56.5 0.1 . 1 . . . A 2 ARG CA . 25363 2 21 . 1 1 2 2 ARG CB C 13 30.2 0.1 . 1 . . . A 2 ARG CB . 25363 2 22 . 1 1 2 2 ARG CG C 13 26.5 0.1 . 1 . . . A 2 ARG CG . 25363 2 23 . 1 1 2 2 ARG CD C 13 42.9 0.1 . 1 . . . A 2 ARG CD . 25363 2 24 . 1 1 3 3 PHE H H 1 8.59 0.01 . 1 . . . A 3 PHE H . 25363 2 25 . 1 1 3 3 PHE HA H 1 4.50 0.01 . 1 . . . A 3 PHE HA . 25363 2 26 . 1 1 3 3 PHE HB2 H 1 3.19 0.01 . 2 . . . A 3 PHE HB2 . 25363 2 27 . 1 1 3 3 PHE HB3 H 1 3.19 0.01 . 2 . . . A 3 PHE HB3 . 25363 2 28 . 1 1 3 3 PHE HD1 H 1 7.24 0.01 . 3 . . . A 3 PHE HD1 . 25363 2 29 . 1 1 3 3 PHE HD2 H 1 7.24 0.01 . 3 . . . A 3 PHE HD2 . 25363 2 30 . 1 1 3 3 PHE HE1 H 1 7.32 0.01 . 3 . . . A 3 PHE HE1 . 25363 2 31 . 1 1 3 3 PHE HE2 H 1 7.32 0.01 . 3 . . . A 3 PHE HE2 . 25363 2 32 . 1 1 3 3 PHE CA C 13 59.4 0.1 . 1 . . . A 3 PHE CA . 25363 2 33 . 1 1 3 3 PHE CB C 13 38.2 0.1 . 1 . . . A 3 PHE CB . 25363 2 34 . 1 1 3 3 PHE CD1 C 13 132.1 0.1 . 1 . . . A 3 PHE CD1 . 25363 2 35 . 1 1 3 3 PHE CE1 C 13 131.3 0.1 . 1 . . . A 3 PHE CE1 . 25363 2 36 . 1 1 4 4 LYS H H 1 8.23 0.01 . 1 . . . A 4 LYS H . 25363 2 37 . 1 1 4 4 LYS HA H 1 4.00 0.01 . 1 . . . A 4 LYS HA . 25363 2 38 . 1 1 4 4 LYS HB2 H 1 1.78 0.01 . 2 . . . A 4 LYS HB2 . 25363 2 39 . 1 1 4 4 LYS HB3 H 1 1.91 0.01 . 2 . . . A 4 LYS HB3 . 25363 2 40 . 1 1 4 4 LYS HG2 H 1 1.44 0.01 . 2 . . . A 4 LYS HG2 . 25363 2 41 . 1 1 4 4 LYS HG3 H 1 1.58 0.01 . 2 . . . A 4 LYS HG3 . 25363 2 42 . 1 1 4 4 LYS HE2 H 1 3.02 0.01 . 2 . . . A 4 LYS HE2 . 25363 2 43 . 1 1 4 4 LYS HE3 H 1 3.02 0.01 . 2 . . . A 4 LYS HE3 . 25363 2 44 . 1 1 4 4 LYS CA C 13 59.5 0.1 . 1 . . . A 4 LYS CA . 25363 2 45 . 1 1 5 5 LYS H H 1 8.16 0.01 . 1 . . . A 5 LYS H . 25363 2 46 . 1 1 5 5 LYS HA H 1 4.06 0.01 . 1 . . . A 5 LYS HA . 25363 2 47 . 1 1 5 5 LYS HB2 H 1 1.86 0.01 . 2 . . . A 5 LYS HB2 . 25363 2 48 . 1 1 5 5 LYS HB3 H 1 1.86 0.01 . 2 . . . A 5 LYS HB3 . 25363 2 49 . 1 1 5 5 LYS HG2 H 1 1.35 0.01 . 2 . . . A 5 LYS HG2 . 25363 2 50 . 1 1 5 5 LYS HG3 H 1 1.43 0.01 . 2 . . . A 5 LYS HG3 . 25363 2 51 . 1 1 5 5 LYS HD2 H 1 1.69 0.01 . 2 . . . A 5 LYS HD2 . 25363 2 52 . 1 1 5 5 LYS HD3 H 1 1.69 0.01 . 2 . . . A 5 LYS HD3 . 25363 2 53 . 1 1 5 5 LYS HE2 H 1 2.96 0.01 . 2 . . . A 5 LYS HE2 . 25363 2 54 . 1 1 5 5 LYS HE3 H 1 2.96 0.01 . 2 . . . A 5 LYS HE3 . 25363 2 55 . 1 1 5 5 LYS CA C 13 58.6 0.1 . 1 . . . A 5 LYS CA . 25363 2 56 . 1 1 6 6 PHE H H 1 7.98 0.01 . 1 . . . A 6 PHE H . 25363 2 57 . 1 1 6 6 PHE HA H 1 4.35 0.01 . 1 . . . A 6 PHE HA . 25363 2 58 . 1 1 6 6 PHE HB2 H 1 3.08 0.01 . 2 . . . A 6 PHE HB2 . 25363 2 59 . 1 1 6 6 PHE HB3 H 1 3.26 0.01 . 2 . . . A 6 PHE HB3 . 25363 2 60 . 1 1 6 6 PHE HD1 H 1 7.11 0.01 . 3 . . . A 6 PHE HD1 . 25363 2 61 . 1 1 6 6 PHE HD2 H 1 7.11 0.01 . 3 . . . A 6 PHE HD2 . 25363 2 62 . 1 1 6 6 PHE HE1 H 1 7.23 0.01 . 3 . . . A 6 PHE HE1 . 25363 2 63 . 1 1 6 6 PHE HE2 H 1 7.23 0.01 . 3 . . . A 6 PHE HE2 . 25363 2 64 . 1 1 6 6 PHE HZ H 1 7.18 0.01 . 1 . . . A 6 PHE HZ . 25363 2 65 . 1 1 6 6 PHE CA C 13 60.1 0.1 . 1 . . . A 6 PHE CA . 25363 2 66 . 1 1 6 6 PHE CB C 13 38.8 0.1 . 1 . . . A 6 PHE CB . 25363 2 67 . 1 1 6 6 PHE CD2 C 13 132.1 0.1 . 1 . . . A 6 PHE CD2 . 25363 2 68 . 1 1 6 6 PHE CE2 C 13 131.3 0.1 . 1 . . . A 6 PHE CE2 . 25363 2 69 . 1 1 6 6 PHE CZ C 13 129.7 0.1 . 1 . . . A 6 PHE CZ . 25363 2 70 . 1 1 7 7 PHE H H 1 8.49 0.01 . 1 . . . A 7 PHE H . 25363 2 71 . 1 1 7 7 PHE HA H 1 4.14 0.01 . 1 . . . A 7 PHE HA . 25363 2 72 . 1 1 7 7 PHE HB2 H 1 3.13 0.01 . 2 . . . A 7 PHE HB2 . 25363 2 73 . 1 1 7 7 PHE HB3 H 1 3.18 0.01 . 2 . . . A 7 PHE HB3 . 25363 2 74 . 1 1 7 7 PHE HD1 H 1 7.25 0.01 . 3 . . . A 7 PHE HD1 . 25363 2 75 . 1 1 7 7 PHE HD2 H 1 7.25 0.01 . 3 . . . A 7 PHE HD2 . 25363 2 76 . 1 1 7 7 PHE HE1 H 1 7.32 0.01 . 3 . . . A 7 PHE HE1 . 25363 2 77 . 1 1 7 7 PHE HE2 H 1 7.32 0.01 . 3 . . . A 7 PHE HE2 . 25363 2 78 . 1 1 7 7 PHE HZ H 1 7.22 0.01 . 1 . . . A 7 PHE HZ . 25363 2 79 . 1 1 7 7 PHE CA C 13 60.2 0.1 . 1 . . . A 7 PHE CA . 25363 2 80 . 1 1 7 7 PHE CB C 13 38.1 0.1 . 1 . . . A 7 PHE CB . 25363 2 81 . 1 1 7 7 PHE CD2 C 13 132.2 0.1 . 1 . . . A 7 PHE CD2 . 25363 2 82 . 1 1 7 7 PHE CE2 C 13 131.4 0.1 . 1 . . . A 7 PHE CE2 . 25363 2 83 . 1 1 7 7 PHE CZ C 13 129.7 0.1 . 1 . . . A 7 PHE CZ . 25363 2 84 . 1 1 8 8 LYS H H 1 8.08 0.01 . 1 . . . A 8 LYS H . 25363 2 85 . 1 1 8 8 LYS HA H 1 3.87 0.01 . 1 . . . A 8 LYS HA . 25363 2 86 . 1 1 8 8 LYS HB2 H 1 1.94 0.01 . 2 . . . A 8 LYS HB2 . 25363 2 87 . 1 1 8 8 LYS HB3 H 1 1.94 0.01 . 2 . . . A 8 LYS HB3 . 25363 2 88 . 1 1 8 8 LYS HG2 H 1 1.49 0.01 . 2 . . . A 8 LYS HG2 . 25363 2 89 . 1 1 8 8 LYS HG3 H 1 1.49 0.01 . 2 . . . A 8 LYS HG3 . 25363 2 90 . 1 1 8 8 LYS HD2 H 1 1.68 0.01 . 2 . . . A 8 LYS HD2 . 25363 2 91 . 1 1 8 8 LYS HD3 H 1 1.74 0.01 . 2 . . . A 8 LYS HD3 . 25363 2 92 . 1 1 8 8 LYS HE2 H 1 3.02 0.01 . 2 . . . A 8 LYS HE2 . 25363 2 93 . 1 1 8 8 LYS HE3 H 1 3.02 0.01 . 2 . . . A 8 LYS HE3 . 25363 2 94 . 1 1 8 8 LYS CA C 13 59.3 0.1 . 1 . . . A 8 LYS CA . 25363 2 95 . 1 1 8 8 LYS CG C 13 24.0 0.1 . 1 . . . A 8 LYS CG . 25363 2 96 . 1 1 9 9 LYS H H 1 7.62 0.01 . 1 . . . A 9 LYS H . 25363 2 97 . 1 1 9 9 LYS HA H 1 4.10 0.01 . 1 . . . A 9 LYS HA . 25363 2 98 . 1 1 9 9 LYS HB2 H 1 1.95 0.01 . 2 . . . A 9 LYS HB2 . 25363 2 99 . 1 1 9 9 LYS HB3 H 1 1.95 0.01 . 2 . . . A 9 LYS HB3 . 25363 2 100 . 1 1 9 9 LYS HG2 H 1 1.43 0.01 . 2 . . . A 9 LYS HG2 . 25363 2 101 . 1 1 9 9 LYS HG3 H 1 1.57 0.01 . 2 . . . A 9 LYS HG3 . 25363 2 102 . 1 1 9 9 LYS HD2 H 1 1.72 0.01 . 2 . . . A 9 LYS HD2 . 25363 2 103 . 1 1 9 9 LYS HD3 H 1 1.72 0.01 . 2 . . . A 9 LYS HD3 . 25363 2 104 . 1 1 9 9 LYS HE2 H 1 2.96 0.01 . 2 . . . A 9 LYS HE2 . 25363 2 105 . 1 1 9 9 LYS HE3 H 1 2.96 0.01 . 2 . . . A 9 LYS HE3 . 25363 2 106 . 1 1 9 9 LYS CA C 13 58.3 0.1 . 1 . . . A 9 LYS CA . 25363 2 107 . 1 1 9 9 LYS CE C 13 41.2 0.1 . 1 . . . A 9 LYS CE . 25363 2 108 . 1 1 10 10 VAL H H 1 7.92 0.01 . 1 . . . A 10 VAL H . 25363 2 109 . 1 1 10 10 VAL HA H 1 3.76 0.01 . 1 . . . A 10 VAL HA . 25363 2 110 . 1 1 10 10 VAL HB H 1 2.06 0.01 . 1 . . . A 10 VAL HB . 25363 2 111 . 1 1 10 10 VAL HG11 H 1 0.81 0.01 . 2 . . . A 10 VAL HG11 . 25363 2 112 . 1 1 10 10 VAL HG12 H 1 0.81 0.01 . 2 . . . A 10 VAL HG11 . 25363 2 113 . 1 1 10 10 VAL HG13 H 1 0.81 0.01 . 2 . . . A 10 VAL HG11 . 25363 2 114 . 1 1 10 10 VAL HG21 H 1 0.72 0.01 . 2 . . . A 10 VAL HG22 . 25363 2 115 . 1 1 10 10 VAL HG22 H 1 0.72 0.01 . 2 . . . A 10 VAL HG22 . 25363 2 116 . 1 1 10 10 VAL HG23 H 1 0.72 0.01 . 2 . . . A 10 VAL HG22 . 25363 2 117 . 1 1 10 10 VAL CA C 13 64.5 0.1 . 1 . . . A 10 VAL CA . 25363 2 118 . 1 1 10 10 VAL CB C 13 31.2 0.1 . 1 . . . A 10 VAL CB . 25363 2 119 . 1 1 10 10 VAL CG1 C 13 20.9 0.1 . 1 . . . A 10 VAL CG1 . 25363 2 120 . 1 1 10 10 VAL CG2 C 13 21.4 0.1 . 1 . . . A 10 VAL CG2 . 25363 2 121 . 1 1 11 11 LYS H H 1 8.19 0.01 . 1 . . . A 11 LYS H . 25363 2 122 . 1 1 11 11 LYS HA H 1 3.70 0.01 . 1 . . . A 11 LYS HA . 25363 2 123 . 1 1 11 11 LYS HB2 H 1 1.75 0.01 . 2 . . . A 11 LYS HB2 . 25363 2 124 . 1 1 11 11 LYS HB3 H 1 1.68 0.01 . 2 . . . A 11 LYS HB3 . 25363 2 125 . 1 1 11 11 LYS HG2 H 1 1.30 0.01 . 2 . . . A 11 LYS HG2 . 25363 2 126 . 1 1 11 11 LYS HG3 H 1 1.34 0.01 . 2 . . . A 11 LYS HG3 . 25363 2 127 . 1 1 11 11 LYS HD2 H 1 1.67 0.01 . 2 . . . A 11 LYS HD2 . 25363 2 128 . 1 1 11 11 LYS HD3 H 1 1.67 0.01 . 2 . . . A 11 LYS HD3 . 25363 2 129 . 1 1 11 11 LYS HE2 H 1 2.83 0.01 . 2 . . . A 11 LYS HE2 . 25363 2 130 . 1 1 11 11 LYS HE3 H 1 2.83 0.01 . 2 . . . A 11 LYS HE3 . 25363 2 131 . 1 1 11 11 LYS CA C 13 59.8 0.1 . 1 . . . A 11 LYS CA . 25363 2 132 . 1 1 11 11 LYS CB C 13 31.7 0.1 . 1 . . . A 11 LYS CB . 25363 2 133 . 1 1 11 11 LYS CE C 13 41.1 0.1 . 1 . . . A 11 LYS CE . 25363 2 134 . 1 1 12 12 LYS H H 1 7.88 0.01 . 1 . . . A 12 LYS H . 25363 2 135 . 1 1 12 12 LYS HA H 1 3.98 0.01 . 1 . . . A 12 LYS HA . 25363 2 136 . 1 1 12 12 LYS HB2 H 1 1.94 0.01 . 2 . . . A 12 LYS HB2 . 25363 2 137 . 1 1 12 12 LYS HB3 H 1 1.94 0.01 . 2 . . . A 12 LYS HB3 . 25363 2 138 . 1 1 12 12 LYS HG2 H 1 1.46 0.01 . 2 . . . A 12 LYS HG2 . 25363 2 139 . 1 1 12 12 LYS HG3 H 1 1.60 0.01 . 2 . . . A 12 LYS HG3 . 25363 2 140 . 1 1 12 12 LYS HE2 H 1 2.99 0.01 . 2 . . . A 12 LYS HE2 . 25363 2 141 . 1 1 12 12 LYS HE3 H 1 2.99 0.01 . 2 . . . A 12 LYS HE3 . 25363 2 142 . 1 1 12 12 LYS CA C 13 59.1 0.1 . 1 . . . A 12 LYS CA . 25363 2 143 . 1 1 13 13 SER H H 1 7.95 0.01 . 1 . . . A 13 SER H . 25363 2 144 . 1 1 13 13 SER HA H 1 4.26 0.01 . 1 . . . A 13 SER HA . 25363 2 145 . 1 1 13 13 SER HB2 H 1 3.93 0.01 . 2 . . . A 13 SER HB2 . 25363 2 146 . 1 1 13 13 SER HB3 H 1 4.00 0.01 . 2 . . . A 13 SER HB3 . 25363 2 147 . 1 1 13 13 SER CA C 13 61.1 0.1 . 1 . . . A 13 SER CA . 25363 2 148 . 1 1 13 13 SER CB C 13 62.5 0.1 . 1 . . . A 13 SER CB . 25363 2 149 . 1 1 14 14 VAL H H 1 8.38 0.01 . 1 . . . A 14 VAL H . 25363 2 150 . 1 1 14 14 VAL HA H 1 3.66 0.01 . 1 . . . A 14 VAL HA . 25363 2 151 . 1 1 14 14 VAL HB H 1 2.18 0.01 . 1 . . . A 14 VAL HB . 25363 2 152 . 1 1 14 14 VAL HG11 H 1 0.94 0.01 . 2 . . . A 14 VAL HG11 . 25363 2 153 . 1 1 14 14 VAL HG12 H 1 0.94 0.01 . 2 . . . A 14 VAL HG11 . 25363 2 154 . 1 1 14 14 VAL HG13 H 1 0.94 0.01 . 2 . . . A 14 VAL HG11 . 25363 2 155 . 1 1 14 14 VAL HG21 H 1 1.04 0.01 . 2 . . . A 14 VAL HG22 . 25363 2 156 . 1 1 14 14 VAL HG22 H 1 1.04 0.01 . 2 . . . A 14 VAL HG22 . 25363 2 157 . 1 1 14 14 VAL HG23 H 1 1.04 0.01 . 2 . . . A 14 VAL HG22 . 25363 2 158 . 1 1 14 14 VAL CA C 13 65.9 0.1 . 1 . . . A 14 VAL CA . 25363 2 159 . 1 1 14 14 VAL CB C 13 31.1 0.1 . 1 . . . A 14 VAL CB . 25363 2 160 . 1 1 14 14 VAL CG1 C 13 21.0 0.1 . 1 . . . A 14 VAL CG1 . 25363 2 161 . 1 1 14 14 VAL CG2 C 13 22.7 0.1 . 1 . . . A 14 VAL CG2 . 25363 2 162 . 1 1 15 15 LYS H H 1 8.27 0.01 . 1 . . . A 15 LYS H . 25363 2 163 . 1 1 15 15 LYS HA H 1 3.84 0.01 . 1 . . . A 15 LYS HA . 25363 2 164 . 1 1 15 15 LYS HB2 H 1 1.92 0.01 . 2 . . . A 15 LYS HB2 . 25363 2 165 . 1 1 15 15 LYS HB3 H 1 1.92 0.01 . 2 . . . A 15 LYS HB3 . 25363 2 166 . 1 1 15 15 LYS HG2 H 1 1.38 0.01 . 2 . . . A 15 LYS HG2 . 25363 2 167 . 1 1 15 15 LYS HG3 H 1 1.61 0.01 . 2 . . . A 15 LYS HG3 . 25363 2 168 . 1 1 15 15 LYS HD2 H 1 1.74 0.01 . 2 . . . A 15 LYS HD2 . 25363 2 169 . 1 1 15 15 LYS HD3 H 1 1.74 0.01 . 2 . . . A 15 LYS HD3 . 25363 2 170 . 1 1 15 15 LYS HE2 H 1 2.89 0.01 . 2 . . . A 15 LYS HE2 . 25363 2 171 . 1 1 15 15 LYS HE3 H 1 2.92 0.01 . 2 . . . A 15 LYS HE3 . 25363 2 172 . 1 1 15 15 LYS CA C 13 60.2 0.1 . 1 . . . A 15 LYS CA . 25363 2 173 . 1 1 15 15 LYS CG C 13 25.3 0.1 . 1 . . . A 15 LYS CG . 25363 2 174 . 1 1 15 15 LYS CE C 13 41.1 0.1 . 1 . . . A 15 LYS CE . 25363 2 175 . 1 1 16 16 LYS H H 1 7.77 0.01 . 1 . . . A 16 LYS H . 25363 2 176 . 1 1 16 16 LYS HA H 1 4.03 0.01 . 1 . . . A 16 LYS HA . 25363 2 177 . 1 1 16 16 LYS HB2 H 1 1.96 0.01 . 2 . . . A 16 LYS HB2 . 25363 2 178 . 1 1 16 16 LYS HB3 H 1 1.96 0.01 . 2 . . . A 16 LYS HB3 . 25363 2 179 . 1 1 16 16 LYS HG2 H 1 1.47 0.01 . 2 . . . A 16 LYS HG2 . 25363 2 180 . 1 1 16 16 LYS HG3 H 1 1.60 0.01 . 2 . . . A 16 LYS HG3 . 25363 2 181 . 1 1 16 16 LYS HD2 H 1 1.73 0.01 . 2 . . . A 16 LYS HD2 . 25363 2 182 . 1 1 16 16 LYS HD3 H 1 1.73 0.01 . 2 . . . A 16 LYS HD3 . 25363 2 183 . 1 1 16 16 LYS HE2 H 1 2.99 0.01 . 2 . . . A 16 LYS HE2 . 25363 2 184 . 1 1 16 16 LYS HE3 H 1 2.99 0.01 . 2 . . . A 16 LYS HE3 . 25363 2 185 . 1 1 16 16 LYS CA C 13 58.8 0.1 . 1 . . . A 16 LYS CA . 25363 2 186 . 1 1 17 17 ARG H H 1 7.71 0.01 . 1 . . . A 17 ARG H . 25363 2 187 . 1 1 17 17 ARG HA H 1 4.21 0.01 . 1 . . . A 17 ARG HA . 25363 2 188 . 1 1 17 17 ARG HB2 H 1 1.95 0.01 . 2 . . . A 17 ARG HB2 . 25363 2 189 . 1 1 17 17 ARG HB3 H 1 1.95 0.01 . 2 . . . A 17 ARG HB3 . 25363 2 190 . 1 1 17 17 ARG HG2 H 1 1.78 0.01 . 2 . . . A 17 ARG HG2 . 25363 2 191 . 1 1 17 17 ARG HG3 H 1 1.78 0.01 . 2 . . . A 17 ARG HG3 . 25363 2 192 . 1 1 17 17 ARG HD2 H 1 3.19 0.01 . 2 . . . A 17 ARG HD2 . 25363 2 193 . 1 1 17 17 ARG HD3 H 1 3.23 0.01 . 2 . . . A 17 ARG HD3 . 25363 2 194 . 1 1 17 17 ARG HE H 1 7.67 0.01 . 1 . . . A 17 ARG HE . 25363 2 195 . 1 1 17 17 ARG CA C 13 57.2 0.1 . 1 . . . A 17 ARG CA . 25363 2 196 . 1 1 17 17 ARG CB C 13 29.6 0.1 . 1 . . . A 17 ARG CB . 25363 2 197 . 1 1 17 17 ARG CG C 13 27.1 0.1 . 1 . . . A 17 ARG CG . 25363 2 198 . 1 1 17 17 ARG CD C 13 42.2 0.1 . 1 . . . A 17 ARG CD . 25363 2 199 . 1 1 18 18 LEU H H 1 8.31 0.01 . 1 . . . A 18 LEU H . 25363 2 200 . 1 1 18 18 LEU HA H 1 4.16 0.01 . 1 . . . A 18 LEU HA . 25363 2 201 . 1 1 18 18 LEU HB2 H 1 1.94 0.01 . 2 . . . A 18 LEU HB2 . 25363 2 202 . 1 1 18 18 LEU HB3 H 1 1.58 0.01 . 2 . . . A 18 LEU HB3 . 25363 2 203 . 1 1 18 18 LEU HG H 1 1.94 0.01 . 1 . . . A 18 LEU HG . 25363 2 204 . 1 1 18 18 LEU HD11 H 1 0.91 0.01 . 2 . . . A 18 LEU HD11 . 25363 2 205 . 1 1 18 18 LEU HD12 H 1 0.91 0.01 . 2 . . . A 18 LEU HD11 . 25363 2 206 . 1 1 18 18 LEU HD13 H 1 0.91 0.01 . 2 . . . A 18 LEU HD11 . 25363 2 207 . 1 1 18 18 LEU HD21 H 1 0.91 0.01 . 2 . . . A 18 LEU HD22 . 25363 2 208 . 1 1 18 18 LEU HD22 H 1 0.91 0.01 . 2 . . . A 18 LEU HD22 . 25363 2 209 . 1 1 18 18 LEU HD23 H 1 0.91 0.01 . 2 . . . A 18 LEU HD22 . 25363 2 210 . 1 1 18 18 LEU CA C 13 56.7 0.1 . 1 . . . A 18 LEU CA . 25363 2 211 . 1 1 18 18 LEU CB C 13 41.3 0.1 . 1 . . . A 18 LEU CB . 25363 2 212 . 1 1 18 18 LEU CG C 13 26.4 0.1 . 1 . . . A 18 LEU CG . 25363 2 213 . 1 1 18 18 LEU CD1 C 13 22.8 0.1 . 1 . . . A 18 LEU CD1 . 25363 2 214 . 1 1 18 18 LEU CD2 C 13 25.4 0.1 . 1 . . . A 18 LEU CD2 . 25363 2 215 . 1 1 19 19 LYS H H 1 7.90 0.01 . 1 . . . A 19 LYS H . 25363 2 216 . 1 1 19 19 LYS HA H 1 4.08 0.01 . 1 . . . A 19 LYS HA . 25363 2 217 . 1 1 19 19 LYS HB2 H 1 1.93 0.01 . 2 . . . A 19 LYS HB2 . 25363 2 218 . 1 1 19 19 LYS HB3 H 1 1.87 0.01 . 2 . . . A 19 LYS HB3 . 25363 2 219 . 1 1 19 19 LYS HG2 H 1 1.52 0.01 . 2 . . . A 19 LYS HG2 . 25363 2 220 . 1 1 19 19 LYS HG3 H 1 1.63 0.01 . 2 . . . A 19 LYS HG3 . 25363 2 221 . 1 1 19 19 LYS HD2 H 1 1.75 0.01 . 2 . . . A 19 LYS HD2 . 25363 2 222 . 1 1 19 19 LYS HD3 H 1 1.75 0.01 . 2 . . . A 19 LYS HD3 . 25363 2 223 . 1 1 19 19 LYS HE2 H 1 3.00 0.01 . 2 . . . A 19 LYS HE2 . 25363 2 224 . 1 1 19 19 LYS HE3 H 1 3.00 0.01 . 2 . . . A 19 LYS HE3 . 25363 2 225 . 1 1 19 19 LYS CA C 13 58.4 0.1 . 1 . . . A 19 LYS CA . 25363 2 226 . 1 1 20 20 LYS H H 1 7.47 0.01 . 1 . . . A 20 LYS H . 25363 2 227 . 1 1 20 20 LYS HA H 1 4.17 0.01 . 1 . . . A 20 LYS HA . 25363 2 228 . 1 1 20 20 LYS HB2 H 1 1.94 0.01 . 2 . . . A 20 LYS HB2 . 25363 2 229 . 1 1 20 20 LYS HB3 H 1 1.94 0.01 . 2 . . . A 20 LYS HB3 . 25363 2 230 . 1 1 20 20 LYS HG2 H 1 1.47 0.01 . 2 . . . A 20 LYS HG2 . 25363 2 231 . 1 1 20 20 LYS HG3 H 1 1.58 0.01 . 2 . . . A 20 LYS HG3 . 25363 2 232 . 1 1 20 20 LYS HD2 H 1 1.72 0.01 . 2 . . . A 20 LYS HD2 . 25363 2 233 . 1 1 20 20 LYS HD3 H 1 1.72 0.01 . 2 . . . A 20 LYS HD3 . 25363 2 234 . 1 1 20 20 LYS HE2 H 1 3.00 0.01 . 2 . . . A 20 LYS HE2 . 25363 2 235 . 1 1 20 20 LYS HE3 H 1 3.00 0.01 . 2 . . . A 20 LYS HE3 . 25363 2 236 . 1 1 20 20 LYS CA C 13 57.3 0.1 . 1 . . . A 20 LYS CA . 25363 2 237 . 1 1 21 21 ILE H H 1 7.57 0.01 . 1 . . . A 21 ILE H . 25363 2 238 . 1 1 21 21 ILE HA H 1 3.92 0.01 . 1 . . . A 21 ILE HA . 25363 2 239 . 1 1 21 21 ILE HB H 1 1.76 0.01 . 1 . . . A 21 ILE HB . 25363 2 240 . 1 1 21 21 ILE HG12 H 1 1.17 0.01 . 2 . . . A 21 ILE HG12 . 25363 2 241 . 1 1 21 21 ILE HG13 H 1 1.53 0.01 . 2 . . . A 21 ILE HG13 . 25363 2 242 . 1 1 21 21 ILE HG21 H 1 0.57 0.01 . 1 . . . A 21 ILE HG21 . 25363 2 243 . 1 1 21 21 ILE HG22 H 1 0.57 0.01 . 1 . . . A 21 ILE HG22 . 25363 2 244 . 1 1 21 21 ILE HG23 H 1 0.57 0.01 . 1 . . . A 21 ILE HG23 . 25363 2 245 . 1 1 21 21 ILE HD11 H 1 0.81 0.01 . 1 . . . A 21 ILE HD11 . 25363 2 246 . 1 1 21 21 ILE HD12 H 1 0.81 0.01 . 1 . . . A 21 ILE HD12 . 25363 2 247 . 1 1 21 21 ILE HD13 H 1 0.81 0.01 . 1 . . . A 21 ILE HD13 . 25363 2 248 . 1 1 21 21 ILE CA C 13 62.4 0.1 . 1 . . . A 21 ILE CA . 25363 2 249 . 1 1 21 21 ILE CB C 13 38.2 0.1 . 1 . . . A 21 ILE CB . 25363 2 250 . 1 1 21 21 ILE CG1 C 13 27.3 0.1 . 1 . . . A 21 ILE CG1 . 25363 2 251 . 1 1 21 21 ILE CG2 C 13 16.7 0.1 . 1 . . . A 21 ILE CG2 . 25363 2 252 . 1 1 21 21 ILE CD1 C 13 13.1 0.1 . 1 . . . A 21 ILE CD1 . 25363 2 253 . 1 1 22 22 PHE H H 1 7.89 0.01 . 1 . . . A 22 PHE H . 25363 2 254 . 1 1 22 22 PHE HA H 1 4.63 0.01 . 1 . . . A 22 PHE HA . 25363 2 255 . 1 1 22 22 PHE HB2 H 1 2.95 0.01 . 2 . . . A 22 PHE HB2 . 25363 2 256 . 1 1 22 22 PHE HB3 H 1 3.29 0.01 . 2 . . . A 22 PHE HB3 . 25363 2 257 . 1 1 22 22 PHE HD1 H 1 7.38 0.01 . 3 . . . A 22 PHE HD1 . 25363 2 258 . 1 1 22 22 PHE HD2 H 1 7.38 0.01 . 3 . . . A 22 PHE HD2 . 25363 2 259 . 1 1 22 22 PHE HE1 H 1 7.24 0.01 . 3 . . . A 22 PHE HE1 . 25363 2 260 . 1 1 22 22 PHE HE2 H 1 7.24 0.01 . 3 . . . A 22 PHE HE2 . 25363 2 261 . 1 1 22 22 PHE HZ H 1 7.13 0.01 . 1 . . . A 22 PHE HZ . 25363 2 262 . 1 1 22 22 PHE CB C 13 38.2 0.1 . 1 . . . A 22 PHE CB . 25363 2 263 . 1 1 22 22 PHE CD2 C 13 132.4 0.1 . 1 . . . A 22 PHE CD2 . 25363 2 264 . 1 1 22 22 PHE CZ C 13 129.3 0.1 . 1 . . . A 22 PHE CZ . 25363 2 265 . 1 1 23 23 LYS H H 1 7.81 0.01 . 1 . . . A 23 LYS H . 25363 2 266 . 1 1 23 23 LYS HA H 1 4.29 0.01 . 1 . . . A 23 LYS HA . 25363 2 267 . 1 1 23 23 LYS HB2 H 1 1.85 0.01 . 2 . . . A 23 LYS HB2 . 25363 2 268 . 1 1 23 23 LYS HB3 H 1 1.92 0.01 . 2 . . . A 23 LYS HB3 . 25363 2 269 . 1 1 23 23 LYS HG2 H 1 1.47 0.01 . 2 . . . A 23 LYS HG2 . 25363 2 270 . 1 1 23 23 LYS HG3 H 1 1.47 0.01 . 2 . . . A 23 LYS HG3 . 25363 2 271 . 1 1 23 23 LYS HD2 H 1 1.71 0.01 . 2 . . . A 23 LYS HD2 . 25363 2 272 . 1 1 23 23 LYS HD3 H 1 1.71 0.01 . 2 . . . A 23 LYS HD3 . 25363 2 273 . 1 1 23 23 LYS HE2 H 1 3.00 0.01 . 2 . . . A 23 LYS HE2 . 25363 2 274 . 1 1 23 23 LYS HE3 H 1 3.03 0.01 . 2 . . . A 23 LYS HE3 . 25363 2 275 . 1 1 23 23 LYS CA C 13 56.3 0.1 . 1 . . . A 23 LYS CA . 25363 2 276 . 1 1 23 23 LYS CB C 13 32.4 0.1 . 1 . . . A 23 LYS CB . 25363 2 277 . 1 1 23 23 LYS CG C 13 24.1 0.1 . 1 . . . A 23 LYS CG . 25363 2 278 . 1 1 24 24 LYS H H 1 7.98 0.01 . 1 . . . A 24 LYS H . 25363 2 279 . 1 1 24 24 LYS HA H 1 4.61 0.01 . 1 . . . A 24 LYS HA . 25363 2 280 . 1 1 24 24 LYS HB2 H 1 1.78 0.01 . 2 . . . A 24 LYS HB2 . 25363 2 281 . 1 1 24 24 LYS HB3 H 1 1.89 0.01 . 2 . . . A 24 LYS HB3 . 25363 2 282 . 1 1 24 24 LYS HG2 H 1 1.48 0.01 . 2 . . . A 24 LYS HG2 . 25363 2 283 . 1 1 24 24 LYS HG3 H 1 1.48 0.01 . 2 . . . A 24 LYS HG3 . 25363 2 284 . 1 1 24 24 LYS HD2 H 1 1.75 0.01 . 2 . . . A 24 LYS HD2 . 25363 2 285 . 1 1 24 24 LYS HD3 H 1 1.75 0.01 . 2 . . . A 24 LYS HD3 . 25363 2 286 . 1 1 24 24 LYS CA C 13 53.6 0.1 . 1 . . . A 24 LYS CA . 25363 2 287 . 1 1 25 25 PRO HA H 1 4.42 0.01 . 1 . . . A 25 PRO HA . 25363 2 288 . 1 1 25 25 PRO HB2 H 1 1.91 0.01 . 2 . . . A 25 PRO HB2 . 25363 2 289 . 1 1 25 25 PRO HB3 H 1 2.27 0.01 . 2 . . . A 25 PRO HB3 . 25363 2 290 . 1 1 25 25 PRO HG2 H 1 2.00 0.01 . 2 . . . A 25 PRO HG2 . 25363 2 291 . 1 1 25 25 PRO HG3 H 1 2.09 0.01 . 2 . . . A 25 PRO HG3 . 25363 2 292 . 1 1 25 25 PRO HD2 H 1 3.66 0.01 . 2 . . . A 25 PRO HD2 . 25363 2 293 . 1 1 25 25 PRO HD3 H 1 3.84 0.01 . 2 . . . A 25 PRO HD3 . 25363 2 294 . 1 1 25 25 PRO CA C 13 63.0 0.1 . 1 . . . A 25 PRO CA . 25363 2 295 . 1 1 25 25 PRO CB C 13 31.2 0.1 . 1 . . . A 25 PRO CB . 25363 2 296 . 1 1 25 25 PRO CG C 13 27.0 0.1 . 1 . . . A 25 PRO CG . 25363 2 297 . 1 1 25 25 PRO CD C 13 49.9 0.1 . 1 . . . A 25 PRO CD . 25363 2 298 . 1 1 26 26 MET H H 1 8.34 0.01 . 1 . . . A 26 MET H . 25363 2 299 . 1 1 26 26 MET HA H 1 4.50 0.01 . 1 . . . A 26 MET HA . 25363 2 300 . 1 1 26 26 MET HB2 H 1 2.01 0.01 . 2 . . . A 26 MET HB2 . 25363 2 301 . 1 1 26 26 MET HB3 H 1 2.01 0.01 . 2 . . . A 26 MET HB3 . 25363 2 302 . 1 1 26 26 MET HG2 H 1 2.51 0.01 . 2 . . . A 26 MET HG2 . 25363 2 303 . 1 1 26 26 MET HG3 H 1 2.51 0.01 . 2 . . . A 26 MET HG3 . 25363 2 304 . 1 1 26 26 MET HE1 H 1 2.01 0.01 . 1 . . . A 26 MET HE1 . 25363 2 305 . 1 1 26 26 MET HE2 H 1 2.01 0.01 . 1 . . . A 26 MET HE2 . 25363 2 306 . 1 1 26 26 MET HE3 H 1 2.01 0.01 . 1 . . . A 26 MET HE3 . 25363 2 307 . 1 1 26 26 MET CA C 13 55.1 0.1 . 1 . . . A 26 MET CA . 25363 2 308 . 1 1 26 26 MET CB C 13 33.1 0.1 . 1 . . . A 26 MET CB . 25363 2 309 . 1 1 26 26 MET CG C 13 31.5 0.1 . 1 . . . A 26 MET CG . 25363 2 310 . 1 1 26 26 MET CE C 13 16.6 0.1 . 1 . . . A 26 MET CE . 25363 2 311 . 1 1 27 27 VAL H H 1 8.15 0.01 . 1 . . . A 27 VAL H . 25363 2 312 . 1 1 27 27 VAL HA H 1 4.16 0.01 . 1 . . . A 27 VAL HA . 25363 2 313 . 1 1 27 27 VAL HB H 1 2.10 0.01 . 1 . . . A 27 VAL HB . 25363 2 314 . 1 1 27 27 VAL HG11 H 1 0.90 0.01 . 2 . . . A 27 VAL HG11 . 25363 2 315 . 1 1 27 27 VAL HG12 H 1 0.90 0.01 . 2 . . . A 27 VAL HG11 . 25363 2 316 . 1 1 27 27 VAL HG13 H 1 0.90 0.01 . 2 . . . A 27 VAL HG11 . 25363 2 317 . 1 1 27 27 VAL HG21 H 1 0.93 0.01 . 2 . . . A 27 VAL HG22 . 25363 2 318 . 1 1 27 27 VAL HG22 H 1 0.93 0.01 . 2 . . . A 27 VAL HG22 . 25363 2 319 . 1 1 27 27 VAL HG23 H 1 0.93 0.01 . 2 . . . A 27 VAL HG22 . 25363 2 320 . 1 1 27 27 VAL CA C 13 61.6 0.1 . 1 . . . A 27 VAL CA . 25363 2 321 . 1 1 27 27 VAL CB C 13 32.3 0.1 . 1 . . . A 27 VAL CB . 25363 2 322 . 1 1 27 27 VAL CG1 C 13 20.7 0.1 . 1 . . . A 27 VAL CG1 . 25363 2 323 . 1 1 27 27 VAL CG2 C 13 20.2 0.1 . 1 . . . A 27 VAL CG2 . 25363 2 324 . 1 1 28 28 ILE H H 1 8.21 0.01 . 1 . . . A 28 ILE H . 25363 2 325 . 1 1 28 28 ILE HA H 1 4.16 0.01 . 1 . . . A 28 ILE HA . 25363 2 326 . 1 1 28 28 ILE HB H 1 1.94 0.01 . 1 . . . A 28 ILE HB . 25363 2 327 . 1 1 28 28 ILE HG12 H 1 1.20 0.01 . 2 . . . A 28 ILE HG12 . 25363 2 328 . 1 1 28 28 ILE HG13 H 1 1.56 0.01 . 2 . . . A 28 ILE HG13 . 25363 2 329 . 1 1 28 28 ILE HG21 H 1 0.95 0.01 . 1 . . . A 28 ILE HG21 . 25363 2 330 . 1 1 28 28 ILE HG22 H 1 0.95 0.01 . 1 . . . A 28 ILE HG22 . 25363 2 331 . 1 1 28 28 ILE HG23 H 1 0.95 0.01 . 1 . . . A 28 ILE HG23 . 25363 2 332 . 1 1 28 28 ILE HD11 H 1 0.88 0.01 . 1 . . . A 28 ILE HD11 . 25363 2 333 . 1 1 28 28 ILE HD12 H 1 0.88 0.01 . 1 . . . A 28 ILE HD12 . 25363 2 334 . 1 1 28 28 ILE HD13 H 1 0.88 0.01 . 1 . . . A 28 ILE HD13 . 25363 2 335 . 1 1 28 28 ILE CA C 13 60.7 0.1 . 1 . . . A 28 ILE CA . 25363 2 336 . 1 1 28 28 ILE CB C 13 38.1 0.1 . 1 . . . A 28 ILE CB . 25363 2 337 . 1 1 28 28 ILE CG1 C 13 27.0 0.1 . 1 . . . A 28 ILE CG1 . 25363 2 338 . 1 1 28 28 ILE CG2 C 13 17.3 0.1 . 1 . . . A 28 ILE CG2 . 25363 2 339 . 1 1 28 28 ILE CD1 C 13 12.6 0.1 . 1 . . . A 28 ILE CD1 . 25363 2 340 . 1 1 29 29 GLY H H 1 8.50 0.01 . 1 . . . A 29 GLY H . 25363 2 341 . 1 1 29 29 GLY HA2 H 1 3.95 0.01 . 2 . . . A 29 GLY HA2 . 25363 2 342 . 1 1 29 29 GLY HA3 H 1 3.95 0.01 . 2 . . . A 29 GLY HA3 . 25363 2 343 . 1 1 29 29 GLY CA C 13 45.1 0.1 . 1 . . . A 29 GLY CA . 25363 2 344 . 1 1 30 30 VAL H H 1 7.63 0.01 . 1 . . . A 30 VAL H . 25363 2 345 . 1 1 30 30 VAL HA H 1 4.27 0.01 . 1 . . . A 30 VAL HA . 25363 2 346 . 1 1 30 30 VAL HB H 1 2.11 0.01 . 1 . . . A 30 VAL HB . 25363 2 347 . 1 1 30 30 VAL HG11 H 1 0.92 0.01 . 2 . . . A 30 VAL HG11 . 25363 2 348 . 1 1 30 30 VAL HG12 H 1 0.92 0.01 . 2 . . . A 30 VAL HG11 . 25363 2 349 . 1 1 30 30 VAL HG13 H 1 0.92 0.01 . 2 . . . A 30 VAL HG11 . 25363 2 350 . 1 1 30 30 VAL HG21 H 1 0.94 0.01 . 2 . . . A 30 VAL HG22 . 25363 2 351 . 1 1 30 30 VAL HG22 H 1 0.94 0.01 . 2 . . . A 30 VAL HG22 . 25363 2 352 . 1 1 30 30 VAL HG23 H 1 0.94 0.01 . 2 . . . A 30 VAL HG22 . 25363 2 353 . 1 1 30 30 VAL CA C 13 61.0 0.1 . 1 . . . A 30 VAL CA . 25363 2 354 . 1 1 30 30 VAL CB C 13 32.8 0.1 . 1 . . . A 30 VAL CB . 25363 2 355 . 1 1 30 30 VAL CG1 C 13 19.9 0.1 . 1 . . . A 30 VAL CG1 . 25363 2 356 . 1 1 30 30 VAL CG2 C 13 20.8 0.1 . 1 . . . A 30 VAL CG2 . 25363 2 357 . 1 1 31 31 THR H H 1 8.19 0.01 . 1 . . . A 31 THR H . 25363 2 358 . 1 1 31 31 THR HA H 1 4.35 0.01 . 1 . . . A 31 THR HA . 25363 2 359 . 1 1 31 31 THR HB H 1 4.09 0.01 . 1 . . . A 31 THR HB . 25363 2 360 . 1 1 31 31 THR HG21 H 1 1.14 0.01 . 1 . . . A 31 THR HG21 . 25363 2 361 . 1 1 31 31 THR HG22 H 1 1.14 0.01 . 1 . . . A 31 THR HG22 . 25363 2 362 . 1 1 31 31 THR HG23 H 1 1.14 0.01 . 1 . . . A 31 THR HG23 . 25363 2 363 . 1 1 31 31 THR CA C 13 61.3 0.1 . 1 . . . A 31 THR CA . 25363 2 364 . 1 1 31 31 THR CB C 13 69.1 0.1 . 1 . . . A 31 THR CB . 25363 2 365 . 1 1 31 31 THR CG2 C 13 21.0 0.1 . 1 . . . A 31 THR CG2 . 25363 2 366 . 1 1 32 32 ILE H H 1 8.22 0.01 . 1 . . . A 32 ILE H . 25363 2 367 . 1 1 32 32 ILE HA H 1 4.33 0.01 . 1 . . . A 32 ILE HA . 25363 2 368 . 1 1 32 32 ILE HB H 1 1.87 0.01 . 1 . . . A 32 ILE HB . 25363 2 369 . 1 1 32 32 ILE HG12 H 1 1.19 0.01 . 2 . . . A 32 ILE HG12 . 25363 2 370 . 1 1 32 32 ILE HG13 H 1 1.56 0.01 . 2 . . . A 32 ILE HG13 . 25363 2 371 . 1 1 32 32 ILE HG21 H 1 0.81 0.01 . 1 . . . A 32 ILE HG21 . 25363 2 372 . 1 1 32 32 ILE HG22 H 1 0.81 0.01 . 1 . . . A 32 ILE HG22 . 25363 2 373 . 1 1 32 32 ILE HG23 H 1 0.81 0.01 . 1 . . . A 32 ILE HG23 . 25363 2 374 . 1 1 32 32 ILE HD11 H 1 0.85 0.01 . 1 . . . A 32 ILE HD11 . 25363 2 375 . 1 1 32 32 ILE HD12 H 1 0.85 0.01 . 1 . . . A 32 ILE HD12 . 25363 2 376 . 1 1 32 32 ILE HD13 H 1 0.85 0.01 . 1 . . . A 32 ILE HD13 . 25363 2 377 . 1 1 32 32 ILE CA C 13 57.8 0.1 . 1 . . . A 32 ILE CA . 25363 2 378 . 1 1 32 32 ILE CB C 13 37.8 0.1 . 1 . . . A 32 ILE CB . 25363 2 379 . 1 1 32 32 ILE CG1 C 13 26.8 0.1 . 1 . . . A 32 ILE CG1 . 25363 2 380 . 1 1 32 32 ILE CG2 C 13 17.0 0.1 . 1 . . . A 32 ILE CG2 . 25363 2 381 . 1 1 32 32 ILE CD1 C 13 12.1 0.1 . 1 . . . A 32 ILE CD1 . 25363 2 382 . 1 1 33 33 PRO HA H 1 4.47 0.01 . 1 . . . A 33 PRO HA . 25363 2 383 . 1 1 33 33 PRO HB2 H 1 1.87 0.01 . 2 . . . A 33 PRO HB2 . 25363 2 384 . 1 1 33 33 PRO HB3 H 1 2.07 0.01 . 2 . . . A 33 PRO HB3 . 25363 2 385 . 1 1 33 33 PRO HG2 H 1 1.74 0.01 . 2 . . . A 33 PRO HG2 . 25363 2 386 . 1 1 33 33 PRO HG3 H 1 1.94 0.01 . 2 . . . A 33 PRO HG3 . 25363 2 387 . 1 1 33 33 PRO HD2 H 1 3.41 0.01 . 2 . . . A 33 PRO HD2 . 25363 2 388 . 1 1 33 33 PRO HD3 H 1 3.88 0.01 . 2 . . . A 33 PRO HD3 . 25363 2 389 . 1 1 33 33 PRO CA C 13 62.8 0.1 . 1 . . . A 33 PRO CA . 25363 2 390 . 1 1 33 33 PRO CB C 13 30.4 0.1 . 1 . . . A 33 PRO CB . 25363 2 391 . 1 1 33 33 PRO CG C 13 26.5 0.1 . 1 . . . A 33 PRO CG . 25363 2 392 . 1 1 33 33 PRO CD C 13 50.1 0.1 . 1 . . . A 33 PRO CD . 25363 2 393 . 1 1 34 34 PHE H H 1 7.42 0.01 . 1 . . . A 34 PHE H . 25363 2 394 . 1 1 34 34 PHE HA H 1 4.61 0.01 . 1 . . . A 34 PHE HA . 25363 2 395 . 1 1 34 34 PHE HB2 H 1 3.02 0.01 . 2 . . . A 34 PHE HB2 . 25363 2 396 . 1 1 34 34 PHE HB3 H 1 3.21 0.01 . 2 . . . A 34 PHE HB3 . 25363 2 397 . 1 1 34 34 PHE HD1 H 1 7.24 0.01 . 3 . . . A 34 PHE HD1 . 25363 2 398 . 1 1 34 34 PHE HD2 H 1 7.24 0.01 . 3 . . . A 34 PHE HD2 . 25363 2 399 . 1 1 34 34 PHE HE1 H 1 7.26 0.01 . 3 . . . A 34 PHE HE1 . 25363 2 400 . 1 1 34 34 PHE HE2 H 1 7.26 0.01 . 3 . . . A 34 PHE HE2 . 25363 2 401 . 1 1 34 34 PHE CA C 13 56.2 0.1 . 1 . . . A 34 PHE CA . 25363 2 402 . 1 1 34 34 PHE CB C 13 39.5 0.1 . 1 . . . A 34 PHE CB . 25363 2 403 . 1 1 34 34 PHE CD2 C 13 132.4 0.1 . 1 . . . A 34 PHE CD2 . 25363 2 404 . 1 1 34 34 PHE CE2 C 13 131.4 0.1 . 1 . . . A 34 PHE CE2 . 25363 2 stop_ save_