data_25151 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25151 _Entry.Title ; Solution structure of spider-venom peptide Hs1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-14 _Entry.Accession_date 2014-08-14 _Entry.Last_release_date 2015-08-17 _Entry.Original_release_date 2015-08-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of spider-venom peptide Hs1a' _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 Julie Klint . K. . 25151 2 Glenn King . F. . 25151 3 Mehdi Mobli . . . 25151 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' . 25151 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Nav channel inhibitor' . 25151 Nav1.7 . 25151 'inhibitor cystine knot' . 25151 'solution structure' . 25151 'spider-venom peptide' . 25151 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25151 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 111 25151 '15N chemical shifts' 39 25151 '1H chemical shifts' 228 25151 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 1 . . 2015-08-17 . original BMRB . 25151 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MT7 'BMRB Entry Tracking System' 25151 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25151 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Nav1.7 inhibitors normalise mechanical responses in chronic visceral hypersensitivity ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julie Klint . K. . 25151 1 2 Joel Castro . . . 25151 1 3 Irina Vetter . . . 25151 1 4 Sing Er . Y. . 25151 1 5 Fernanda Cardoso . . . 25151 1 6 Yi Liu . . . 25151 1 7 Rebecca Hagan . . . 25151 1 8 Robert Neff . . . 25151 1 9 Natali Minassian . . . 25151 1 10 Johnny Huang . X. . 25151 1 11 Matt Cooper . A. . 25151 1 12 Alan Wickenden . . . 25151 1 13 Mehdi Mobli . . . 25151 1 14 Lian Jin . . . 25151 1 15 Joseph Nicolazzo . A. . 25151 1 16 Richard Lewis . J. . 25151 1 17 Frank Bosmans . . . 25151 1 18 Stuart Brierley . M. . 25151 1 19 Glenn King . F. . 25151 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25151 _Assembly.ID 1 _Assembly.Name Hs1a _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 Hs1a 1 $Hs1a A . yes native no no . . . 25151 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hs1a _Entity.Sf_category entity _Entity.Sf_framecode Hs1a _Entity.Entry_ID 25151 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hs1a _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 ; GNDCLGFWSACNPKNDKCCA NLVCSSKHKWCKGKL ; _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 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3866.550 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MT7 . "Solution Structure Of Spider-venom Peptide Hs1a" . . . . . 100.00 35 100.00 100.00 8.17e-15 . . . . 25151 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 1 GLY . 25151 1 2 2 ASN . 25151 1 3 3 ASP . 25151 1 4 4 CYS . 25151 1 5 5 LEU . 25151 1 6 6 GLY . 25151 1 7 7 PHE . 25151 1 8 8 TRP . 25151 1 9 9 SER . 25151 1 10 10 ALA . 25151 1 11 11 CYS . 25151 1 12 12 ASN . 25151 1 13 13 PRO . 25151 1 14 14 LYS . 25151 1 15 15 ASN . 25151 1 16 16 ASP . 25151 1 17 17 LYS . 25151 1 18 18 CYS . 25151 1 19 19 CYS . 25151 1 20 20 ALA . 25151 1 21 21 ASN . 25151 1 22 22 LEU . 25151 1 23 23 VAL . 25151 1 24 24 CYS . 25151 1 25 25 SER . 25151 1 26 26 SER . 25151 1 27 27 LYS . 25151 1 28 28 HIS . 25151 1 29 29 LYS . 25151 1 30 30 TRP . 25151 1 31 31 CYS . 25151 1 32 32 LYS . 25151 1 33 33 GLY . 25151 1 34 34 LYS . 25151 1 35 35 LEU . 25151 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 25151 1 . ASN 2 2 25151 1 . ASP 3 3 25151 1 . CYS 4 4 25151 1 . LEU 5 5 25151 1 . GLY 6 6 25151 1 . PHE 7 7 25151 1 . TRP 8 8 25151 1 . SER 9 9 25151 1 . ALA 10 10 25151 1 . CYS 11 11 25151 1 . ASN 12 12 25151 1 . PRO 13 13 25151 1 . LYS 14 14 25151 1 . ASN 15 15 25151 1 . ASP 16 16 25151 1 . LYS 17 17 25151 1 . CYS 18 18 25151 1 . CYS 19 19 25151 1 . ALA 20 20 25151 1 . ASN 21 21 25151 1 . LEU 22 22 25151 1 . VAL 23 23 25151 1 . CYS 24 24 25151 1 . SER 25 25 25151 1 . SER 26 26 25151 1 . LYS 27 27 25151 1 . HIS 28 28 25151 1 . LYS 29 29 25151 1 . TRP 30 30 25151 1 . CYS 31 31 25151 1 . LYS 32 32 25151 1 . GLY 33 33 25151 1 . LYS 34 34 25151 1 . LEU 35 35 25151 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 25151 _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 $Hs1a . 118971 organism . 'Hysterocrates spec' Tarantula . . Eukaryota Metazoa Hysterocrates spec . . . . . . . . . . . . . 25151 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 25151 _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 $Hs1a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pLic-MBP . . . 25151 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25151 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 4.9' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Hs1a '[U-98% 13C; U-98% 15N]' . . 1 $Hs1a . . 0.5 . . mM . . . . 25151 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 25151 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25151 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25151 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25151 _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' 20 . mM 25151 1 pH 4.9 . pH 25151 1 pressure 1 . atm 25151 1 temperature 298 . K 25151 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25151 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25151 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25151 1 stop_ save_ save_Rowland_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_Toolkit _Software.Entry_ID 25151 _Software.ID 2 _Software.Name Rowland_NMR_Toolkit _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jeffrey C. Hoch & Alan Stern' 'University of Connecticut' hoch@uchc.edu 25151 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25151 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25151 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25151 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25151 3 'peak picking' 25151 3 stop_ save_ save_Talos+ _Software.Sf_category software _Software.Sf_framecode Talos+ _Software.Entry_ID 25151 _Software.ID 4 _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' . . 25151 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25151 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25151 _Software.ID 5 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25151 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25151 5 refinement 25151 5 'structure solution' 25151 5 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 25151 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25151 _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 . 900 'Equipped with cryoprobe' . . 25151 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 25151 _Experiment_list.ID 1 _Experiment_list.Details 'All 3D/4D data other than NOESY data acquired with NUS and processed using maximum entropy reconstruction.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25151 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25151 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25151 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25151 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25151 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25151 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25151 1 8 '4D HCC(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25151 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 25151 _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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 25151 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 25151 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 25151 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 25151 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 25151 1 5 '3D 1H-15N NOESY' . . . 25151 1 6 '3D 1H-13C NOESY aliphatic' . . . 25151 1 7 '3D 1H-13C NOESY aromatic' . . . 25151 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 3.865 0.010 . 1 . . . A 1 GLY HA2 . 25151 1 2 . 1 1 1 1 GLY CA C 13 43.516 0.200 . 1 . . . A 1 GLY CA . 25151 1 3 . 1 1 2 2 ASN H H 1 8.792 0.010 . 1 . . . A 2 ASN H . 25151 1 4 . 1 1 2 2 ASN HA H 1 4.819 0.010 . 1 . . . A 2 ASN HA . 25151 1 5 . 1 1 2 2 ASN HB2 H 1 2.899 0.010 . 2 . . . A 2 ASN HB2 . 25151 1 6 . 1 1 2 2 ASN HB3 H 1 2.739 0.010 . 2 . . . A 2 ASN HB3 . 25151 1 7 . 1 1 2 2 ASN HD21 H 1 7.618 0.010 . 2 . . . A 2 ASN HD21 . 25151 1 8 . 1 1 2 2 ASN HD22 H 1 6.918 0.010 . 2 . . . A 2 ASN HD22 . 25151 1 9 . 1 1 2 2 ASN CA C 13 53.210 0.200 . 1 . . . A 2 ASN CA . 25151 1 10 . 1 1 2 2 ASN CB C 13 39.095 0.200 . 1 . . . A 2 ASN CB . 25151 1 11 . 1 1 2 2 ASN N N 15 118.762 0.100 . 1 . . . A 2 ASN N . 25151 1 12 . 1 1 2 2 ASN ND2 N 15 112.719 0.100 . 1 . . . A 2 ASN ND2 . 25151 1 13 . 1 1 3 3 ASP H H 1 8.549 0.010 . 1 . . . A 3 ASP H . 25151 1 14 . 1 1 3 3 ASP HA H 1 4.650 0.010 . 1 . . . A 3 ASP HA . 25151 1 15 . 1 1 3 3 ASP HB2 H 1 2.716 0.010 . 2 . . . A 3 ASP HB2 . 25151 1 16 . 1 1 3 3 ASP HB3 H 1 2.623 0.010 . 2 . . . A 3 ASP HB3 . 25151 1 17 . 1 1 3 3 ASP CA C 13 54.095 0.200 . 1 . . . A 3 ASP CA . 25151 1 18 . 1 1 3 3 ASP CB C 13 40.891 0.200 . 1 . . . A 3 ASP CB . 25151 1 19 . 1 1 3 3 ASP N N 15 120.996 0.100 . 1 . . . A 3 ASP N . 25151 1 20 . 1 1 4 4 CYS H H 1 8.054 0.010 . 1 . . . A 4 CYS H . 25151 1 21 . 1 1 4 4 CYS HA H 1 4.881 0.010 . 1 . . . A 4 CYS HA . 25151 1 22 . 1 1 4 4 CYS HB2 H 1 3.064 0.010 . 1 . . . A 4 CYS HB2 . 25151 1 23 . 1 1 4 4 CYS HB3 H 1 3.234 0.010 . 1 . . . A 4 CYS HB3 . 25151 1 24 . 1 1 4 4 CYS CA C 13 54.434 0.200 . 1 . . . A 4 CYS CA . 25151 1 25 . 1 1 4 4 CYS CB C 13 43.435 0.200 . 1 . . . A 4 CYS CB . 25151 1 26 . 1 1 4 4 CYS N N 15 115.969 0.100 . 1 . . . A 4 CYS N . 25151 1 27 . 1 1 5 5 LEU H H 1 8.540 0.010 . 1 . . . A 5 LEU H . 25151 1 28 . 1 1 5 5 LEU HA H 1 4.431 0.010 . 1 . . . A 5 LEU HA . 25151 1 29 . 1 1 5 5 LEU HB2 H 1 1.793 0.010 . 1 . . . A 5 LEU HB2 . 25151 1 30 . 1 1 5 5 LEU HB3 H 1 1.478 0.010 . 1 . . . A 5 LEU HB3 . 25151 1 31 . 1 1 5 5 LEU HG H 1 1.584 0.010 . 1 . . . A 5 LEU HG . 25151 1 32 . 1 1 5 5 LEU HD11 H 1 0.983 0.010 . 1 . . . A 5 LEU HD11 . 25151 1 33 . 1 1 5 5 LEU HD12 H 1 0.983 0.010 . 1 . . . A 5 LEU HD12 . 25151 1 34 . 1 1 5 5 LEU HD13 H 1 0.983 0.010 . 1 . . . A 5 LEU HD13 . 25151 1 35 . 1 1 5 5 LEU HD21 H 1 0.876 0.010 . 1 . . . A 5 LEU HD21 . 25151 1 36 . 1 1 5 5 LEU HD22 H 1 0.876 0.010 . 1 . . . A 5 LEU HD22 . 25151 1 37 . 1 1 5 5 LEU HD23 H 1 0.876 0.010 . 1 . . . A 5 LEU HD23 . 25151 1 38 . 1 1 5 5 LEU CA C 13 54.531 0.200 . 1 . . . A 5 LEU CA . 25151 1 39 . 1 1 5 5 LEU CB C 13 43.281 0.200 . 1 . . . A 5 LEU CB . 25151 1 40 . 1 1 5 5 LEU CG C 13 25.938 0.200 . 1 . . . A 5 LEU CG . 25151 1 41 . 1 1 5 5 LEU CD1 C 13 26.172 0.200 . 1 . . . A 5 LEU CD1 . 25151 1 42 . 1 1 5 5 LEU CD2 C 13 22.188 0.200 . 1 . . . A 5 LEU CD2 . 25151 1 43 . 1 1 5 5 LEU N N 15 121.566 0.100 . 1 . . . A 5 LEU N . 25151 1 44 . 1 1 6 6 GLY H H 1 8.235 0.010 . 1 . . . A 6 GLY H . 25151 1 45 . 1 1 6 6 GLY HA2 H 1 4.060 0.010 . 1 . . . A 6 GLY HA2 . 25151 1 46 . 1 1 6 6 GLY HA3 H 1 3.689 0.010 . 1 . . . A 6 GLY HA3 . 25151 1 47 . 1 1 6 6 GLY CA C 13 43.281 0.200 . 1 . . . A 6 GLY CA . 25151 1 48 . 1 1 6 6 GLY N N 15 108.453 0.100 . 1 . . . A 6 GLY N . 25151 1 49 . 1 1 7 7 PHE H H 1 8.202 0.010 . 1 . . . A 7 PHE H . 25151 1 50 . 1 1 7 7 PHE HA H 1 3.408 0.010 . 1 . . . A 7 PHE HA . 25151 1 51 . 1 1 7 7 PHE HB2 H 1 2.651 0.010 . 1 . . . A 7 PHE HB2 . 25151 1 52 . 1 1 7 7 PHE HB3 H 1 2.423 0.010 . 1 . . . A 7 PHE HB3 . 25151 1 53 . 1 1 7 7 PHE HD1 H 1 6.569 0.010 . 1 . . . A 7 PHE HD1 . 25151 1 54 . 1 1 7 7 PHE HD2 H 1 6.569 0.010 . 1 . . . A 7 PHE HD2 . 25151 1 55 . 1 1 7 7 PHE HE1 H 1 6.891 0.010 . 1 . . . A 7 PHE HE1 . 25151 1 56 . 1 1 7 7 PHE HE2 H 1 6.891 0.010 . 1 . . . A 7 PHE HE2 . 25151 1 57 . 1 1 7 7 PHE HZ H 1 7.083 0.010 . 1 . . . A 7 PHE HZ . 25151 1 58 . 1 1 7 7 PHE CA C 13 60.606 0.200 . 1 . . . A 7 PHE CA . 25151 1 59 . 1 1 7 7 PHE CB C 13 39.531 0.200 . 1 . . . A 7 PHE CB . 25151 1 60 . 1 1 7 7 PHE CD1 C 13 131.366 0.200 . 1 . . . A 7 PHE CD1 . 25151 1 61 . 1 1 7 7 PHE CE1 C 13 131.185 0.200 . 1 . . . A 7 PHE CE1 . 25151 1 62 . 1 1 7 7 PHE CZ C 13 129.811 0.200 . 1 . . . A 7 PHE CZ . 25151 1 63 . 1 1 7 7 PHE N N 15 118.965 0.100 . 1 . . . A 7 PHE N . 25151 1 64 . 1 1 8 8 TRP H H 1 9.067 0.010 . 1 . . . A 8 TRP H . 25151 1 65 . 1 1 8 8 TRP HA H 1 3.839 0.010 . 1 . . . A 8 TRP HA . 25151 1 66 . 1 1 8 8 TRP HB2 H 1 3.285 0.010 . 1 . . . A 8 TRP HB2 . 25151 1 67 . 1 1 8 8 TRP HB3 H 1 3.121 0.010 . 1 . . . A 8 TRP HB3 . 25151 1 68 . 1 1 8 8 TRP HD1 H 1 6.513 0.010 . 1 . . . A 8 TRP HD1 . 25151 1 69 . 1 1 8 8 TRP HE1 H 1 9.414 0.010 . 1 . . . A 8 TRP HE1 . 25151 1 70 . 1 1 8 8 TRP HE3 H 1 6.229 0.010 . 1 . . . A 8 TRP HE3 . 25151 1 71 . 1 1 8 8 TRP HZ2 H 1 7.211 0.010 . 1 . . . A 8 TRP HZ2 . 25151 1 72 . 1 1 8 8 TRP HZ3 H 1 6.764 0.010 . 1 . . . A 8 TRP HZ3 . 25151 1 73 . 1 1 8 8 TRP HH2 H 1 7.117 0.010 . 1 . . . A 8 TRP HH2 . 25151 1 74 . 1 1 8 8 TRP CA C 13 58.047 0.200 . 1 . . . A 8 TRP CA . 25151 1 75 . 1 1 8 8 TRP CB C 13 27.800 0.200 . 1 . . . A 8 TRP CB . 25151 1 76 . 1 1 8 8 TRP CD1 C 13 126.775 0.200 . 1 . . . A 8 TRP CD1 . 25151 1 77 . 1 1 8 8 TRP CE3 C 13 120.593 0.200 . 1 . . . A 8 TRP CE3 . 25151 1 78 . 1 1 8 8 TRP CZ2 C 13 114.520 0.200 . 1 . . . A 8 TRP CZ2 . 25151 1 79 . 1 1 8 8 TRP CZ3 C 13 121.136 0.200 . 1 . . . A 8 TRP CZ3 . 25151 1 80 . 1 1 8 8 TRP CH2 C 13 123.991 0.200 . 1 . . . A 8 TRP CH2 . 25151 1 81 . 1 1 8 8 TRP N N 15 120.031 0.100 . 1 . . . A 8 TRP N . 25151 1 82 . 1 1 8 8 TRP NE1 N 15 127.547 0.100 . 1 . . . A 8 TRP NE1 . 25151 1 83 . 1 1 9 9 SER H H 1 8.165 0.010 . 1 . . . A 9 SER H . 25151 1 84 . 1 1 9 9 SER HA H 1 4.445 0.010 . 1 . . . A 9 SER HA . 25151 1 85 . 1 1 9 9 SER HB2 H 1 3.889 0.010 . 1 . . . A 9 SER HB2 . 25151 1 86 . 1 1 9 9 SER HB3 H 1 3.918 0.010 . 1 . . . A 9 SER HB3 . 25151 1 87 . 1 1 9 9 SER CA C 13 59.703 0.200 . 1 . . . A 9 SER CA . 25151 1 88 . 1 1 9 9 SER CB C 13 64.804 0.200 . 1 . . . A 9 SER CB . 25151 1 89 . 1 1 9 9 SER N N 15 117.187 0.100 . 1 . . . A 9 SER N . 25151 1 90 . 1 1 10 10 ALA H H 1 8.713 0.010 . 1 . . . A 10 ALA H . 25151 1 91 . 1 1 10 10 ALA HA H 1 4.914 0.010 . 1 . . . A 10 ALA HA . 25151 1 92 . 1 1 10 10 ALA HB1 H 1 1.546 0.010 . 1 . . . A 10 ALA HB1 . 25151 1 93 . 1 1 10 10 ALA HB2 H 1 1.546 0.010 . 1 . . . A 10 ALA HB2 . 25151 1 94 . 1 1 10 10 ALA HB3 H 1 1.546 0.010 . 1 . . . A 10 ALA HB3 . 25151 1 95 . 1 1 10 10 ALA CA C 13 53.122 0.200 . 1 . . . A 10 ALA CA . 25151 1 96 . 1 1 10 10 ALA CB C 13 18.895 0.200 . 1 . . . A 10 ALA CB . 25151 1 97 . 1 1 10 10 ALA N N 15 127.547 0.100 . 1 . . . A 10 ALA N . 25151 1 98 . 1 1 11 11 CYS H H 1 8.200 0.010 . 1 . . . A 11 CYS H . 25151 1 99 . 1 1 11 11 CYS HA H 1 4.799 0.010 . 1 . . . A 11 CYS HA . 25151 1 100 . 1 1 11 11 CYS HB2 H 1 3.054 0.010 . 1 . . . A 11 CYS HB2 . 25151 1 101 . 1 1 11 11 CYS HB3 H 1 2.977 0.010 . 1 . . . A 11 CYS HB3 . 25151 1 102 . 1 1 11 11 CYS CA C 13 54.064 0.200 . 1 . . . A 11 CYS CA . 25151 1 103 . 1 1 11 11 CYS CB C 13 45.772 0.200 . 1 . . . A 11 CYS CB . 25151 1 104 . 1 1 11 11 CYS N N 15 116.934 0.100 . 1 . . . A 11 CYS N . 25151 1 105 . 1 1 12 12 ASN H H 1 9.125 0.010 . 1 . . . A 12 ASN H . 25151 1 106 . 1 1 12 12 ASN HA H 1 5.125 0.010 . 1 . . . A 12 ASN HA . 25151 1 107 . 1 1 12 12 ASN HB2 H 1 2.768 0.010 . 1 . . . A 12 ASN HB2 . 25151 1 108 . 1 1 12 12 ASN HB3 H 1 3.040 0.010 . 1 . . . A 12 ASN HB3 . 25151 1 109 . 1 1 12 12 ASN HD21 H 1 7.823 0.010 . 1 . . . A 12 ASN HD21 . 25151 1 110 . 1 1 12 12 ASN HD22 H 1 7.151 0.010 . 1 . . . A 12 ASN HD22 . 25151 1 111 . 1 1 12 12 ASN CA C 13 48.437 0.200 . 1 . . . A 12 ASN CA . 25151 1 112 . 1 1 12 12 ASN CB C 13 40.234 0.200 . 1 . . . A 12 ASN CB . 25151 1 113 . 1 1 12 12 ASN N N 15 119.371 0.100 . 1 . . . A 12 ASN N . 25151 1 114 . 1 1 12 12 ASN ND2 N 15 112.313 0.100 . 1 . . . A 12 ASN ND2 . 25151 1 115 . 1 1 13 13 PRO HA H 1 3.977 0.010 . 1 . . . A 13 PRO HA . 25151 1 116 . 1 1 13 13 PRO HB2 H 1 1.916 0.010 . 1 . . . A 13 PRO HB2 . 25151 1 117 . 1 1 13 13 PRO HB3 H 1 2.175 0.010 . 1 . . . A 13 PRO HB3 . 25151 1 118 . 1 1 13 13 PRO HG2 H 1 2.043 0.010 . 1 . . . A 13 PRO HG2 . 25151 1 119 . 1 1 13 13 PRO HG3 H 1 1.804 0.010 . 1 . . . A 13 PRO HG3 . 25151 1 120 . 1 1 13 13 PRO HD2 H 1 3.884 0.010 . 1 . . . A 13 PRO HD2 . 25151 1 121 . 1 1 13 13 PRO HD3 H 1 3.884 0.010 . 1 . . . A 13 PRO HD3 . 25151 1 122 . 1 1 13 13 PRO CA C 13 61.328 0.200 . 1 . . . A 13 PRO CA . 25151 1 123 . 1 1 13 13 PRO CB C 13 32.031 0.200 . 1 . . . A 13 PRO CB . 25151 1 124 . 1 1 13 13 PRO CG C 13 27.578 0.200 . 1 . . . A 13 PRO CG . 25151 1 125 . 1 1 13 13 PRO CD C 13 50.781 0.200 . 1 . . . A 13 PRO CD . 25151 1 126 . 1 1 14 14 LYS H H 1 7.648 0.010 . 1 . . . A 14 LYS H . 25151 1 127 . 1 1 14 14 LYS HA H 1 4.228 0.010 . 1 . . . A 14 LYS HA . 25151 1 128 . 1 1 14 14 LYS HB2 H 1 1.655 0.010 . 1 . . . A 14 LYS HB2 . 25151 1 129 . 1 1 14 14 LYS HB3 H 1 1.901 0.010 . 1 . . . A 14 LYS HB3 . 25151 1 130 . 1 1 14 14 LYS HG2 H 1 1.470 0.010 . 2 . . . A 14 LYS HG2 . 25151 1 131 . 1 1 14 14 LYS HG3 H 1 1.375 0.010 . 2 . . . A 14 LYS HG3 . 25151 1 132 . 1 1 14 14 LYS HD2 H 1 1.660 0.010 . 1 . . . A 14 LYS HD2 . 25151 1 133 . 1 1 14 14 LYS HD3 H 1 1.660 0.010 . 1 . . . A 14 LYS HD3 . 25151 1 134 . 1 1 14 14 LYS HE2 H 1 2.969 0.010 . 1 . . . A 14 LYS HE2 . 25151 1 135 . 1 1 14 14 LYS HE3 H 1 2.969 0.010 . 1 . . . A 14 LYS HE3 . 25151 1 136 . 1 1 14 14 LYS CA C 13 56.365 0.200 . 1 . . . A 14 LYS CA . 25151 1 137 . 1 1 14 14 LYS CB C 13 32.266 0.200 . 1 . . . A 14 LYS CB . 25151 1 138 . 1 1 14 14 LYS CG C 13 25.235 0.200 . 1 . . . A 14 LYS CG . 25151 1 139 . 1 1 14 14 LYS CD C 13 28.772 0.200 . 1 . . . A 14 LYS CD . 25151 1 140 . 1 1 14 14 LYS CE C 13 42.087 0.200 . 1 . . . A 14 LYS CE . 25151 1 141 . 1 1 14 14 LYS N N 15 113.430 0.100 . 1 . . . A 14 LYS N . 25151 1 142 . 1 1 15 15 ASN H H 1 7.562 0.010 . 1 . . . A 15 ASN H . 25151 1 143 . 1 1 15 15 ASN HA H 1 4.642 0.010 . 1 . . . A 15 ASN HA . 25151 1 144 . 1 1 15 15 ASN HB2 H 1 2.662 0.010 . 2 . . . A 15 ASN HB2 . 25151 1 145 . 1 1 15 15 ASN HB3 H 1 2.537 0.010 . 2 . . . A 15 ASN HB3 . 25151 1 146 . 1 1 15 15 ASN HD21 H 1 7.452 0.010 . 2 . . . A 15 ASN HD21 . 25151 1 147 . 1 1 15 15 ASN HD22 H 1 6.797 0.010 . 2 . . . A 15 ASN HD22 . 25151 1 148 . 1 1 15 15 ASN CA C 13 52.629 0.200 . 1 . . . A 15 ASN CA . 25151 1 149 . 1 1 15 15 ASN CB C 13 37.891 0.200 . 1 . . . A 15 ASN CB . 25151 1 150 . 1 1 15 15 ASN N N 15 119.066 0.100 . 1 . . . A 15 ASN N . 25151 1 151 . 1 1 15 15 ASN ND2 N 15 110.078 0.100 . 1 . . . A 15 ASN ND2 . 25151 1 152 . 1 1 16 16 ASP H H 1 8.618 0.010 . 1 . . . A 16 ASP H . 25151 1 153 . 1 1 16 16 ASP HA H 1 4.135 0.010 . 1 . . . A 16 ASP HA . 25151 1 154 . 1 1 16 16 ASP HB2 H 1 3.000 0.010 . 2 . . . A 16 ASP HB2 . 25151 1 155 . 1 1 16 16 ASP HB3 H 1 2.442 0.010 . 2 . . . A 16 ASP HB3 . 25151 1 156 . 1 1 16 16 ASP CA C 13 55.902 0.200 . 1 . . . A 16 ASP CA . 25151 1 157 . 1 1 16 16 ASP CB C 13 41.930 0.200 . 1 . . . A 16 ASP CB . 25151 1 158 . 1 1 16 16 ASP N N 15 124.551 0.100 . 1 . . . A 16 ASP N . 25151 1 159 . 1 1 17 17 LYS H H 1 7.913 0.010 . 1 . . . A 17 LYS H . 25151 1 160 . 1 1 17 17 LYS HA H 1 4.669 0.010 . 1 . . . A 17 LYS HA . 25151 1 161 . 1 1 17 17 LYS HB2 H 1 1.602 0.010 . 1 . . . A 17 LYS HB2 . 25151 1 162 . 1 1 17 17 LYS HB3 H 1 2.353 0.010 . 1 . . . A 17 LYS HB3 . 25151 1 163 . 1 1 17 17 LYS HG2 H 1 1.486 0.010 . 2 . . . A 17 LYS HG2 . 25151 1 164 . 1 1 17 17 LYS HG3 H 1 1.387 0.010 . 2 . . . A 17 LYS HG3 . 25151 1 165 . 1 1 17 17 LYS HD2 H 1 1.620 0.010 . 1 . . . A 17 LYS HD2 . 25151 1 166 . 1 1 17 17 LYS HD3 H 1 1.620 0.010 . 1 . . . A 17 LYS HD3 . 25151 1 167 . 1 1 17 17 LYS HE2 H 1 2.916 0.010 . 1 . . . A 17 LYS HE2 . 25151 1 168 . 1 1 17 17 LYS CB C 13 31.094 0.200 . 1 . . . A 17 LYS CB . 25151 1 169 . 1 1 17 17 LYS CG C 13 24.272 0.200 . 1 . . . A 17 LYS CG . 25151 1 170 . 1 1 17 17 LYS CD C 13 28.269 0.200 . 1 . . . A 17 LYS CD . 25151 1 171 . 1 1 17 17 LYS N N 15 127.750 0.100 . 1 . . . A 17 LYS N . 25151 1 172 . 1 1 18 18 CYS H H 1 9.343 0.010 . 1 . . . A 18 CYS H . 25151 1 173 . 1 1 18 18 CYS HA H 1 4.979 0.010 . 1 . . . A 18 CYS HA . 25151 1 174 . 1 1 18 18 CYS HB2 H 1 2.849 0.010 . 1 . . . A 18 CYS HB2 . 25151 1 175 . 1 1 18 18 CYS HB3 H 1 2.849 0.010 . 1 . . . A 18 CYS HB3 . 25151 1 176 . 1 1 18 18 CYS CA C 13 56.883 0.200 . 1 . . . A 18 CYS CA . 25151 1 177 . 1 1 18 18 CYS CB C 13 39.062 0.200 . 1 . . . A 18 CYS CB . 25151 1 178 . 1 1 18 18 CYS N N 15 122.012 0.100 . 1 . . . A 18 CYS N . 25151 1 179 . 1 1 19 19 CYS H H 1 9.347 0.010 . 1 . . . A 19 CYS H . 25151 1 180 . 1 1 19 19 CYS HA H 1 4.441 0.010 . 1 . . . A 19 CYS HA . 25151 1 181 . 1 1 19 19 CYS HB2 H 1 2.533 0.010 . 1 . . . A 19 CYS HB2 . 25151 1 182 . 1 1 19 19 CYS HB3 H 1 3.417 0.010 . 1 . . . A 19 CYS HB3 . 25151 1 183 . 1 1 19 19 CYS CA C 13 54.765 0.200 . 1 . . . A 19 CYS CA . 25151 1 184 . 1 1 19 19 CYS CB C 13 41.641 0.200 . 1 . . . A 19 CYS CB . 25151 1 185 . 1 1 19 19 CYS N N 15 120.742 0.100 . 1 . . . A 19 CYS N . 25151 1 186 . 1 1 20 20 ALA H H 1 8.087 0.010 . 1 . . . A 20 ALA H . 25151 1 187 . 1 1 20 20 ALA HA H 1 4.116 0.010 . 1 . . . A 20 ALA HA . 25151 1 188 . 1 1 20 20 ALA HB1 H 1 1.362 0.010 . 1 . . . A 20 ALA HB1 . 25151 1 189 . 1 1 20 20 ALA HB2 H 1 1.362 0.010 . 1 . . . A 20 ALA HB2 . 25151 1 190 . 1 1 20 20 ALA HB3 H 1 1.362 0.010 . 1 . . . A 20 ALA HB3 . 25151 1 191 . 1 1 20 20 ALA CA C 13 54.527 0.200 . 1 . . . A 20 ALA CA . 25151 1 192 . 1 1 20 20 ALA CB C 13 18.907 0.200 . 1 . . . A 20 ALA CB . 25151 1 193 . 1 1 20 20 ALA N N 15 119.473 0.100 . 1 . . . A 20 ALA N . 25151 1 194 . 1 1 21 21 ASN H H 1 8.660 0.010 . 1 . . . A 21 ASN H . 25151 1 195 . 1 1 21 21 ASN HA H 1 4.332 0.010 . 1 . . . A 21 ASN HA . 25151 1 196 . 1 1 21 21 ASN HB2 H 1 3.150 0.010 . 2 . . . A 21 ASN HB2 . 25151 1 197 . 1 1 21 21 ASN HB3 H 1 2.875 0.010 . 2 . . . A 21 ASN HB3 . 25151 1 198 . 1 1 21 21 ASN HD21 H 1 7.538 0.010 . 2 . . . A 21 ASN HD21 . 25151 1 199 . 1 1 21 21 ASN HD22 H 1 6.900 0.010 . 2 . . . A 21 ASN HD22 . 25151 1 200 . 1 1 21 21 ASN CA C 13 55.234 0.200 . 1 . . . A 21 ASN CA . 25151 1 201 . 1 1 21 21 ASN CB C 13 37.188 0.200 . 1 . . . A 21 ASN CB . 25151 1 202 . 1 1 21 21 ASN N N 15 112.414 0.100 . 1 . . . A 21 ASN N . 25151 1 203 . 1 1 21 21 ASN ND2 N 15 113.734 0.100 . 1 . . . A 21 ASN ND2 . 25151 1 204 . 1 1 22 22 LEU H H 1 8.407 0.010 . 1 . . . A 22 LEU H . 25151 1 205 . 1 1 22 22 LEU HA H 1 5.038 0.010 . 1 . . . A 22 LEU HA . 25151 1 206 . 1 1 22 22 LEU HB2 H 1 2.022 0.010 . 1 . . . A 22 LEU HB2 . 25151 1 207 . 1 1 22 22 LEU HB3 H 1 1.061 0.010 . 1 . . . A 22 LEU HB3 . 25151 1 208 . 1 1 22 22 LEU HG H 1 1.195 0.010 . 1 . . . A 22 LEU HG . 25151 1 209 . 1 1 22 22 LEU HD11 H 1 0.600 0.010 . 1 . . . A 22 LEU HD11 . 25151 1 210 . 1 1 22 22 LEU HD12 H 1 0.600 0.010 . 1 . . . A 22 LEU HD12 . 25151 1 211 . 1 1 22 22 LEU HD13 H 1 0.600 0.010 . 1 . . . A 22 LEU HD13 . 25151 1 212 . 1 1 22 22 LEU HD21 H 1 0.175 0.010 . 1 . . . A 22 LEU HD21 . 25151 1 213 . 1 1 22 22 LEU HD22 H 1 0.175 0.010 . 1 . . . A 22 LEU HD22 . 25151 1 214 . 1 1 22 22 LEU HD23 H 1 0.175 0.010 . 1 . . . A 22 LEU HD23 . 25151 1 215 . 1 1 22 22 LEU CA C 13 53.078 0.200 . 1 . . . A 22 LEU CA . 25151 1 216 . 1 1 22 22 LEU CB C 13 45.118 0.200 . 1 . . . A 22 LEU CB . 25151 1 217 . 1 1 22 22 LEU CG C 13 26.446 0.200 . 1 . . . A 22 LEU CG . 25151 1 218 . 1 1 22 22 LEU CD1 C 13 26.406 0.200 . 1 . . . A 22 LEU CD1 . 25151 1 219 . 1 1 22 22 LEU CD2 C 13 23.136 0.200 . 1 . . . A 22 LEU CD2 . 25151 1 220 . 1 1 22 22 LEU N N 15 121.250 0.100 . 1 . . . A 22 LEU N . 25151 1 221 . 1 1 23 23 VAL H H 1 9.184 0.010 . 1 . . . A 23 VAL H . 25151 1 222 . 1 1 23 23 VAL HA H 1 4.446 0.010 . 1 . . . A 23 VAL HA . 25151 1 223 . 1 1 23 23 VAL HB H 1 1.856 0.010 . 1 . . . A 23 VAL HB . 25151 1 224 . 1 1 23 23 VAL HG11 H 1 0.759 0.010 . 1 . . . A 23 VAL HG11 . 25151 1 225 . 1 1 23 23 VAL HG12 H 1 0.759 0.010 . 1 . . . A 23 VAL HG12 . 25151 1 226 . 1 1 23 23 VAL HG13 H 1 0.759 0.010 . 1 . . . A 23 VAL HG13 . 25151 1 227 . 1 1 23 23 VAL HG21 H 1 0.930 0.010 . 1 . . . A 23 VAL HG21 . 25151 1 228 . 1 1 23 23 VAL HG22 H 1 0.930 0.010 . 1 . . . A 23 VAL HG22 . 25151 1 229 . 1 1 23 23 VAL HG23 H 1 0.930 0.010 . 1 . . . A 23 VAL HG23 . 25151 1 230 . 1 1 23 23 VAL CA C 13 59.815 0.200 . 1 . . . A 23 VAL CA . 25151 1 231 . 1 1 23 23 VAL CB C 13 35.547 0.200 . 1 . . . A 23 VAL CB . 25151 1 232 . 1 1 23 23 VAL CG1 C 13 19.864 0.200 . 1 . . . A 23 VAL CG1 . 25151 1 233 . 1 1 23 23 VAL CG2 C 13 21.249 0.200 . 1 . . . A 23 VAL CG2 . 25151 1 234 . 1 1 23 23 VAL N N 15 116.883 0.100 . 1 . . . A 23 VAL N . 25151 1 235 . 1 1 24 24 CYS H H 1 9.743 0.010 . 1 . . . A 24 CYS H . 25151 1 236 . 1 1 24 24 CYS HA H 1 4.569 0.010 . 1 . . . A 24 CYS HA . 25151 1 237 . 1 1 24 24 CYS HB2 H 1 2.599 0.010 . 1 . . . A 24 CYS HB2 . 25151 1 238 . 1 1 24 24 CYS HB3 H 1 3.129 0.010 . 1 . . . A 24 CYS HB3 . 25151 1 239 . 1 1 24 24 CYS CA C 13 55.881 0.200 . 1 . . . A 24 CYS CA . 25151 1 240 . 1 1 24 24 CYS CB C 13 38.345 0.200 . 1 . . . A 24 CYS CB . 25151 1 241 . 1 1 24 24 CYS N N 15 126.988 0.100 . 1 . . . A 24 CYS N . 25151 1 242 . 1 1 25 25 SER H H 1 8.338 0.010 . 1 . . . A 25 SER H . 25151 1 243 . 1 1 25 25 SER HA H 1 4.452 0.010 . 1 . . . A 25 SER HA . 25151 1 244 . 1 1 25 25 SER HB2 H 1 4.135 0.010 . 1 . . . A 25 SER HB2 . 25151 1 245 . 1 1 25 25 SER HB3 H 1 3.869 0.010 . 1 . . . A 25 SER HB3 . 25151 1 246 . 1 1 25 25 SER CA C 13 57.812 0.200 . 1 . . . A 25 SER CA . 25151 1 247 . 1 1 25 25 SER CB C 13 63.906 0.200 . 1 . . . A 25 SER CB . 25151 1 248 . 1 1 25 25 SER N N 15 123.484 0.100 . 1 . . . A 25 SER N . 25151 1 249 . 1 1 26 26 SER H H 1 8.983 0.010 . 1 . . . A 26 SER H . 25151 1 250 . 1 1 26 26 SER HA H 1 3.868 0.010 . 1 . . . A 26 SER HA . 25151 1 251 . 1 1 26 26 SER HB2 H 1 3.935 0.010 . 2 . . . A 26 SER HB2 . 25151 1 252 . 1 1 26 26 SER HB3 H 1 3.885 0.010 . 2 . . . A 26 SER HB3 . 25151 1 253 . 1 1 26 26 SER CA C 13 64.609 0.200 . 1 . . . A 26 SER CA . 25151 1 254 . 1 1 26 26 SER CB C 13 62.477 0.200 . 1 . . . A 26 SER CB . 25151 1 255 . 1 1 26 26 SER N N 15 125.516 0.100 . 1 . . . A 26 SER N . 25151 1 256 . 1 1 27 27 LYS H H 1 7.650 0.010 . 1 . . . A 27 LYS H . 25151 1 257 . 1 1 27 27 LYS HA H 1 4.040 0.010 . 1 . . . A 27 LYS HA . 25151 1 258 . 1 1 27 27 LYS HB2 H 1 1.476 0.010 . 2 . . . A 27 LYS HB2 . 25151 1 259 . 1 1 27 27 LYS HB3 H 1 1.175 0.010 . 2 . . . A 27 LYS HB3 . 25151 1 260 . 1 1 27 27 LYS HG2 H 1 1.016 0.010 . 2 . . . A 27 LYS HG2 . 25151 1 261 . 1 1 27 27 LYS HG3 H 1 0.794 0.010 . 2 . . . A 27 LYS HG3 . 25151 1 262 . 1 1 27 27 LYS HD2 H 1 1.479 0.010 . 2 . . . A 27 LYS HD2 . 25151 1 263 . 1 1 27 27 LYS HD3 H 1 1.434 0.010 . 2 . . . A 27 LYS HD3 . 25151 1 264 . 1 1 27 27 LYS HE2 H 1 2.836 0.010 . 1 . . . A 27 LYS HE2 . 25151 1 265 . 1 1 27 27 LYS HE3 H 1 2.836 0.010 . 1 . . . A 27 LYS HE3 . 25151 1 266 . 1 1 27 27 LYS CA C 13 57.839 0.200 . 1 . . . A 27 LYS CA . 25151 1 267 . 1 1 27 27 LYS CB C 13 33.203 0.200 . 1 . . . A 27 LYS CB . 25151 1 268 . 1 1 27 27 LYS CG C 13 24.551 0.200 . 1 . . . A 27 LYS CG . 25151 1 269 . 1 1 27 27 LYS CD C 13 28.704 0.200 . 1 . . . A 27 LYS CD . 25151 1 270 . 1 1 27 27 LYS CE C 13 41.871 0.200 . 1 . . . A 27 LYS CE . 25151 1 271 . 1 1 27 27 LYS N N 15 119.269 0.100 . 1 . . . A 27 LYS N . 25151 1 272 . 1 1 28 28 HIS H H 1 6.929 0.010 . 1 . . . A 28 HIS H . 25151 1 273 . 1 1 28 28 HIS HA H 1 4.122 0.010 . 1 . . . A 28 HIS HA . 25151 1 274 . 1 1 28 28 HIS HB2 H 1 1.378 0.010 . 2 . . . A 28 HIS HB2 . 25151 1 275 . 1 1 28 28 HIS HB3 H 1 1.124 0.010 . 2 . . . A 28 HIS HB3 . 25151 1 276 . 1 1 28 28 HIS HD2 H 1 6.940 0.010 . 1 . . . A 28 HIS HD2 . 25151 1 277 . 1 1 28 28 HIS HE1 H 1 8.535 0.010 . 1 . . . A 28 HIS HE1 . 25151 1 278 . 1 1 28 28 HIS CA C 13 55.436 0.200 . 1 . . . A 28 HIS CA . 25151 1 279 . 1 1 28 28 HIS CB C 13 28.273 0.200 . 1 . . . A 28 HIS CB . 25151 1 280 . 1 1 28 28 HIS CD2 C 13 120.625 0.200 . 1 . . . A 28 HIS CD2 . 25151 1 281 . 1 1 28 28 HIS CE1 C 13 136.644 0.200 . 1 . . . A 28 HIS CE1 . 25151 1 282 . 1 1 28 28 HIS N N 15 112.008 0.100 . 1 . . . A 28 HIS N . 25151 1 283 . 1 1 29 29 LYS H H 1 8.153 0.010 . 1 . . . A 29 LYS H . 25151 1 284 . 1 1 29 29 LYS HA H 1 3.838 0.010 . 1 . . . A 29 LYS HA . 25151 1 285 . 1 1 29 29 LYS HB2 H 1 2.270 0.010 . 1 . . . A 29 LYS HB2 . 25151 1 286 . 1 1 29 29 LYS HB3 H 1 2.044 0.010 . 1 . . . A 29 LYS HB3 . 25151 1 287 . 1 1 29 29 LYS HG2 H 1 1.153 0.010 . 1 . . . A 29 LYS HG2 . 25151 1 288 . 1 1 29 29 LYS HG3 H 1 1.198 0.010 . 1 . . . A 29 LYS HG3 . 25151 1 289 . 1 1 29 29 LYS HD2 H 1 1.695 0.010 . 2 . . . A 29 LYS HD2 . 25151 1 290 . 1 1 29 29 LYS HD3 H 1 1.627 0.010 . 2 . . . A 29 LYS HD3 . 25151 1 291 . 1 1 29 29 LYS HE2 H 1 2.955 0.010 . 1 . . . A 29 LYS HE2 . 25151 1 292 . 1 1 29 29 LYS HE3 H 1 2.955 0.010 . 1 . . . A 29 LYS HE3 . 25151 1 293 . 1 1 29 29 LYS CA C 13 57.812 0.200 . 1 . . . A 29 LYS CA . 25151 1 294 . 1 1 29 29 LYS CB C 13 27.813 0.200 . 1 . . . A 29 LYS CB . 25151 1 295 . 1 1 29 29 LYS CG C 13 25.448 0.200 . 1 . . . A 29 LYS CG . 25151 1 296 . 1 1 29 29 LYS CD C 13 29.704 0.200 . 1 . . . A 29 LYS CD . 25151 1 297 . 1 1 29 29 LYS CE C 13 42.344 0.200 . 1 . . . A 29 LYS CE . 25151 1 298 . 1 1 29 29 LYS N N 15 115.258 0.100 . 1 . . . A 29 LYS N . 25151 1 299 . 1 1 30 30 TRP H H 1 6.910 0.010 . 1 . . . A 30 TRP H . 25151 1 300 . 1 1 30 30 TRP HA H 1 5.802 0.010 . 1 . . . A 30 TRP HA . 25151 1 301 . 1 1 30 30 TRP HB2 H 1 2.677 0.010 . 1 . . . A 30 TRP HB2 . 25151 1 302 . 1 1 30 30 TRP HB3 H 1 3.188 0.010 . 1 . . . A 30 TRP HB3 . 25151 1 303 . 1 1 30 30 TRP HD1 H 1 6.898 0.010 . 1 . . . A 30 TRP HD1 . 25151 1 304 . 1 1 30 30 TRP HE1 H 1 10.112 0.010 . 1 . . . A 30 TRP HE1 . 25151 1 305 . 1 1 30 30 TRP HE3 H 1 7.520 0.010 . 1 . . . A 30 TRP HE3 . 25151 1 306 . 1 1 30 30 TRP HZ2 H 1 6.934 0.010 . 1 . . . A 30 TRP HZ2 . 25151 1 307 . 1 1 30 30 TRP HZ3 H 1 7.083 0.010 . 1 . . . A 30 TRP HZ3 . 25151 1 308 . 1 1 30 30 TRP HH2 H 1 6.922 0.010 . 1 . . . A 30 TRP HH2 . 25151 1 309 . 1 1 30 30 TRP CA C 13 54.328 0.200 . 1 . . . A 30 TRP CA . 25151 1 310 . 1 1 30 30 TRP CB C 13 31.118 0.200 . 1 . . . A 30 TRP CB . 25151 1 311 . 1 1 30 30 TRP CD1 C 13 124.389 0.200 . 1 . . . A 30 TRP CD1 . 25151 1 312 . 1 1 30 30 TRP CE3 C 13 121.281 0.200 . 1 . . . A 30 TRP CE3 . 25151 1 313 . 1 1 30 30 TRP CZ2 C 13 113.906 0.200 . 1 . . . A 30 TRP CZ2 . 25151 1 314 . 1 1 30 30 TRP CZ3 C 13 121.719 0.200 . 1 . . . A 30 TRP CZ3 . 25151 1 315 . 1 1 30 30 TRP CH2 C 13 124.344 0.200 . 1 . . . A 30 TRP CH2 . 25151 1 316 . 1 1 30 30 TRP N N 15 112.008 0.100 . 1 . . . A 30 TRP N . 25151 1 317 . 1 1 30 30 TRP NE1 N 15 128.359 0.100 . 1 . . . A 30 TRP NE1 . 25151 1 318 . 1 1 31 31 CYS H H 1 8.581 0.010 . 1 . . . A 31 CYS H . 25151 1 319 . 1 1 31 31 CYS HA H 1 4.983 0.010 . 1 . . . A 31 CYS HA . 25151 1 320 . 1 1 31 31 CYS HB2 H 1 3.112 0.010 . 1 . . . A 31 CYS HB2 . 25151 1 321 . 1 1 31 31 CYS HB3 H 1 2.546 0.010 . 1 . . . A 31 CYS HB3 . 25151 1 322 . 1 1 31 31 CYS CA C 13 54.779 0.200 . 1 . . . A 31 CYS CA . 25151 1 323 . 1 1 31 31 CYS CB C 13 39.558 0.200 . 1 . . . A 31 CYS CB . 25151 1 324 . 1 1 31 31 CYS N N 15 120.387 0.100 . 1 . . . A 31 CYS N . 25151 1 325 . 1 1 32 32 LYS H H 1 9.326 0.010 . 1 . . . A 32 LYS H . 25151 1 326 . 1 1 32 32 LYS HA H 1 4.480 0.010 . 1 . . . A 32 LYS HA . 25151 1 327 . 1 1 32 32 LYS HB2 H 1 2.089 0.010 . 1 . . . A 32 LYS HB2 . 25151 1 328 . 1 1 32 32 LYS HB3 H 1 1.892 0.010 . 1 . . . A 32 LYS HB3 . 25151 1 329 . 1 1 32 32 LYS HG2 H 1 1.624 0.010 . 1 . . . A 32 LYS HG2 . 25151 1 330 . 1 1 32 32 LYS HG3 H 1 1.681 0.010 . 1 . . . A 32 LYS HG3 . 25151 1 331 . 1 1 32 32 LYS HD2 H 1 1.839 0.010 . 1 . . . A 32 LYS HD2 . 25151 1 332 . 1 1 32 32 LYS HD3 H 1 1.740 0.010 . 1 . . . A 32 LYS HD3 . 25151 1 333 . 1 1 32 32 LYS HE2 H 1 3.136 0.010 . 2 . . . A 32 LYS HE2 . 25151 1 334 . 1 1 32 32 LYS HE3 H 1 3.034 0.010 . 2 . . . A 32 LYS HE3 . 25151 1 335 . 1 1 32 32 LYS CA C 13 53.776 0.200 . 1 . . . A 32 LYS CA . 25151 1 336 . 1 1 32 32 LYS CB C 13 34.141 0.200 . 1 . . . A 32 LYS CB . 25151 1 337 . 1 1 32 32 LYS CG C 13 22.821 0.200 . 1 . . . A 32 LYS CG . 25151 1 338 . 1 1 32 32 LYS CD C 13 28.751 0.200 . 1 . . . A 32 LYS CD . 25151 1 339 . 1 1 32 32 LYS CE C 13 41.823 0.200 . 1 . . . A 32 LYS CE . 25151 1 340 . 1 1 32 32 LYS N N 15 122.824 0.100 . 1 . . . A 32 LYS N . 25151 1 341 . 1 1 33 33 GLY H H 1 8.424 0.010 . 1 . . . A 33 GLY H . 25151 1 342 . 1 1 33 33 GLY HA2 H 1 4.115 0.010 . 1 . . . A 33 GLY HA2 . 25151 1 343 . 1 1 33 33 GLY HA3 H 1 3.869 0.010 . 1 . . . A 33 GLY HA3 . 25151 1 344 . 1 1 33 33 GLY CA C 13 45.854 0.200 . 1 . . . A 33 GLY CA . 25151 1 345 . 1 1 33 33 GLY N N 15 106.828 0.100 . 1 . . . A 33 GLY N . 25151 1 346 . 1 1 34 34 LYS H H 1 8.123 0.010 . 1 . . . A 34 LYS H . 25151 1 347 . 1 1 34 34 LYS HA H 1 4.085 0.010 . 1 . . . A 34 LYS HA . 25151 1 348 . 1 1 34 34 LYS HB2 H 1 1.706 0.010 . 2 . . . A 34 LYS HB2 . 25151 1 349 . 1 1 34 34 LYS HB3 H 1 1.533 0.010 . 2 . . . A 34 LYS HB3 . 25151 1 350 . 1 1 34 34 LYS HG2 H 1 1.291 0.010 . 1 . . . A 34 LYS HG2 . 25151 1 351 . 1 1 34 34 LYS HG3 H 1 1.291 0.010 . 1 . . . A 34 LYS HG3 . 25151 1 352 . 1 1 34 34 LYS HD2 H 1 1.597 0.010 . 1 . . . A 34 LYS HD2 . 25151 1 353 . 1 1 34 34 LYS HD3 H 1 1.597 0.010 . 1 . . . A 34 LYS HD3 . 25151 1 354 . 1 1 34 34 LYS HE2 H 1 2.918 0.010 . 1 . . . A 34 LYS HE2 . 25151 1 355 . 1 1 34 34 LYS HE3 H 1 2.918 0.010 . 1 . . . A 34 LYS HE3 . 25151 1 356 . 1 1 34 34 LYS CA C 13 57.811 0.200 . 1 . . . A 34 LYS CA . 25151 1 357 . 1 1 34 34 LYS CB C 13 33.471 0.200 . 1 . . . A 34 LYS CB . 25151 1 358 . 1 1 34 34 LYS CG C 13 25.487 0.200 . 1 . . . A 34 LYS CG . 25151 1 359 . 1 1 34 34 LYS CD C 13 29.642 0.200 . 1 . . . A 34 LYS CD . 25151 1 360 . 1 1 34 34 LYS CE C 13 42.121 0.200 . 1 . . . A 34 LYS CE . 25151 1 361 . 1 1 34 34 LYS N N 15 122.367 0.100 . 1 . . . A 34 LYS N . 25151 1 362 . 1 1 35 35 LEU H H 1 7.779 0.010 . 1 . . . A 35 LEU H . 25151 1 363 . 1 1 35 35 LEU HA H 1 4.230 0.010 . 1 . . . A 35 LEU HA . 25151 1 364 . 1 1 35 35 LEU HB2 H 1 1.581 0.010 . 1 . . . A 35 LEU HB2 . 25151 1 365 . 1 1 35 35 LEU HB3 H 1 1.581 0.010 . 1 . . . A 35 LEU HB3 . 25151 1 366 . 1 1 35 35 LEU HG H 1 1.569 0.010 . 1 . . . A 35 LEU HG . 25151 1 367 . 1 1 35 35 LEU HD11 H 1 0.886 0.010 . 2 . . . A 35 LEU HD11 . 25151 1 368 . 1 1 35 35 LEU HD12 H 1 0.886 0.010 . 2 . . . A 35 LEU HD12 . 25151 1 369 . 1 1 35 35 LEU HD13 H 1 0.886 0.010 . 2 . . . A 35 LEU HD13 . 25151 1 370 . 1 1 35 35 LEU HD21 H 1 0.920 0.010 . 2 . . . A 35 LEU HD21 . 25151 1 371 . 1 1 35 35 LEU HD22 H 1 0.920 0.010 . 2 . . . A 35 LEU HD22 . 25151 1 372 . 1 1 35 35 LEU HD23 H 1 0.920 0.010 . 2 . . . A 35 LEU HD23 . 25151 1 373 . 1 1 35 35 LEU CA C 13 56.875 0.200 . 1 . . . A 35 LEU CA . 25151 1 374 . 1 1 35 35 LEU CB C 13 43.516 0.200 . 1 . . . A 35 LEU CB . 25151 1 375 . 1 1 35 35 LEU CG C 13 27.344 0.200 . 1 . . . A 35 LEU CG . 25151 1 376 . 1 1 35 35 LEU CD1 C 13 23.828 0.200 . 1 . . . A 35 LEU CD1 . 25151 1 377 . 1 1 35 35 LEU CD2 C 13 25.000 0.200 . 1 . . . A 35 LEU CD2 . 25151 1 378 . 1 1 35 35 LEU N N 15 127.191 0.100 . 1 . . . A 35 LEU N . 25151 1 stop_ save_