data_17661 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17661 _Entry.Title ; Solution structure of the long sarafotoxin srtx-i3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-24 _Entry.Accession_date 2011-05-24 _Entry.Last_release_date 2012-05-09 _Entry.Original_release_date 2012-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Florence Cordier . . . 17661 2 Adelajda Zorba . . . 17661 3 Marianna Hajj . . . 17661 4 Frederic Ducancel . . . 17661 5 Denis Servent . . . 17661 6 Muriel Delepierre . . . 17661 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' . 17661 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'endothelin-like peptide' . 17661 'long sarafotoxin' . 17661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 170 17661 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 . . 2012-05-09 2011-05-24 original author . 17661 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17662 'sarafotoxin srtx-m' 17661 PDB 2LDE 'BMRB Entry Tracking System' 17661 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17661 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21889567 _Citation.Full_citation . _Citation.Title 'Pharmacological and structural characterization of long-sarafotoxins, a new family of endothelin-like peptides: Role of the C-terminus extension.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochimie _Citation.Journal_name_full Biochimie _Citation.Journal_volume 94 _Citation.Journal_issue 2 _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 461 _Citation.Page_last 470 _Citation.Year 2012 _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 Gilles Mourier . . . 17661 1 2 Mariana Hajj . . . 17661 1 3 Florence Cordier . . . 17661 1 4 Adelajda Zorba . . . 17661 1 5 XingHuang Gao . . . 17661 1 6 Tolga Coskun . . . 17661 1 7 Amaury Herbet . . . 17661 1 8 Elodie Marcon . . . 17661 1 9 Fabrice Beau . . . 17661 1 10 Muriel Delepierre . . . 17661 1 11 Frederic Ducancel . . . 17661 1 12 Denis Servent . . . 17661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17661 _Assembly.ID 1 _Assembly.Name srtx-i3 _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 srtx-i3 1 $srtx-i3 A . yes native no no . . . 17661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_srtx-i3 _Entity.Sf_category entity _Entity.Sf_framecode srtx-i3 _Entity.Entry_ID 17661 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name srtx-i3 _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 ; CSCTDMSDLECMNFCHKDVI WVNRN ; _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 25 _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 2967.403 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2LDE . "Solution Structure Of The Long Sarafotoxin Srtx-I3" . . . . . 100.00 25 100.00 100.00 1.07e-08 . . . . 17661 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 . CYS . 17661 1 2 . SER . 17661 1 3 . CYS . 17661 1 4 . THR . 17661 1 5 . ASP . 17661 1 6 . MET . 17661 1 7 . SER . 17661 1 8 . ASP . 17661 1 9 . LEU . 17661 1 10 . GLU . 17661 1 11 . CYS . 17661 1 12 . MET . 17661 1 13 . ASN . 17661 1 14 . PHE . 17661 1 15 . CYS . 17661 1 16 . HIS . 17661 1 17 . LYS . 17661 1 18 . ASP . 17661 1 19 . VAL . 17661 1 20 . ILE . 17661 1 21 . TRP . 17661 1 22 . VAL . 17661 1 23 . ASN . 17661 1 24 . ARG . 17661 1 25 . ASN . 17661 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 . CYS 1 1 17661 1 . SER 2 2 17661 1 . CYS 3 3 17661 1 . THR 4 4 17661 1 . ASP 5 5 17661 1 . MET 6 6 17661 1 . SER 7 7 17661 1 . ASP 8 8 17661 1 . LEU 9 9 17661 1 . GLU 10 10 17661 1 . CYS 11 11 17661 1 . MET 12 12 17661 1 . ASN 13 13 17661 1 . PHE 14 14 17661 1 . CYS 15 15 17661 1 . HIS 16 16 17661 1 . LYS 17 17 17661 1 . ASP 18 18 17661 1 . VAL 19 19 17661 1 . ILE 20 20 17661 1 . TRP 21 21 17661 1 . VAL 22 22 17661 1 . ASN 23 23 17661 1 . ARG 24 24 17661 1 . ASN 25 25 17661 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 17661 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $srtx-i3 . 512568 organism . 'Atractaspis irregularis' snake . . Eukaryota Metazoa Atractaspis irregularis . . . . . . . . . . . . . . . . . . . . . 17661 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 17661 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $srtx-i3 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17661 _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 srtx-i3 'natural abundance' . . 1 $srtx-i3 . . 3 . . mM . . . . 17661 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17661 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17661 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_25C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_25C _Sample_condition_list.Entry_ID 17661 _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 17661 1 pH 4.5 . pH 17661 1 pressure 1 . atm 17661 1 temperature 298 . K 17661 1 stop_ save_ save_sample_35C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_35C _Sample_condition_list.Entry_ID 17661 _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 17661 2 pH 4.5 . pH 17661 2 pressure 1 . atm 17661 2 temperature 308 . K 17661 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17661 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17661 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17661 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17661 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17661 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17661 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17661 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17661 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17661 3 'data analysis' 17661 3 'peak picking' 17661 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17661 _Software.ID 4 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17661 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17661 4 'structure solution' 17661 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 17661 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Spectrometer equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17661 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17661 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'Spectrometer equipped with a cryoprobe' . . 17661 1 2 spectrometer_2 Varian INOVA . 500 . . . 17661 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 17661 _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_25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17661 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17661 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17661 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_35C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17661 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_35C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17661 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 17661 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17661 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 17661 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_25C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H COSY' . . . 17661 1 2 '2D 1H-1H TOCSY' . . . 17661 1 3 '2D 1H-1H NOESY' . . . 17661 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 CYS HA H 1 4.183 . . 1 . . . A 1 CYS HA . 17661 1 2 . 1 1 1 1 CYS HB2 H 1 3.321 . . 2 . . . A 1 CYS HB2 . 17661 1 3 . 1 1 1 1 CYS HB3 H 1 3.073 . . 2 . . . A 1 CYS HB3 . 17661 1 4 . 1 1 2 2 SER H H 1 8.942 . . 1 . . . A 2 SER H . 17661 1 5 . 1 1 2 2 SER HA H 1 4.734 . . 1 . . . A 2 SER HA . 17661 1 6 . 1 1 2 2 SER HB2 H 1 3.821 . . 2 . . . A 2 SER HB2 . 17661 1 7 . 1 1 2 2 SER HB3 H 1 3.821 . . 2 . . . A 2 SER HB3 . 17661 1 8 . 1 1 3 3 CYS H H 1 8.728 . . 1 . . . A 3 CYS H . 17661 1 9 . 1 1 3 3 CYS HA H 1 4.897 . . 1 . . . A 3 CYS HA . 17661 1 10 . 1 1 3 3 CYS HB2 H 1 3.370 . . 2 . . . A 3 CYS HB2 . 17661 1 11 . 1 1 3 3 CYS HB3 H 1 2.940 . . 2 . . . A 3 CYS HB3 . 17661 1 12 . 1 1 4 4 THR H H 1 8.058 . . 1 . . . A 4 THR H . 17661 1 13 . 1 1 4 4 THR HA H 1 4.104 . . 1 . . . A 4 THR HA . 17661 1 14 . 1 1 4 4 THR HB H 1 3.958 . . 1 . . . A 4 THR HB . 17661 1 15 . 1 1 4 4 THR HG21 H 1 1.135 . . 1 . . . A 4 THR HG21 . 17661 1 16 . 1 1 4 4 THR HG22 H 1 1.135 . . 1 . . . A 4 THR HG22 . 17661 1 17 . 1 1 4 4 THR HG23 H 1 1.135 . . 1 . . . A 4 THR HG23 . 17661 1 18 . 1 1 5 5 ASP H H 1 8.871 . . 1 . . . A 5 ASP H . 17661 1 19 . 1 1 5 5 ASP HA H 1 4.494 . . 1 . . . A 5 ASP HA . 17661 1 20 . 1 1 5 5 ASP HB2 H 1 3.073 . . 2 . . . A 5 ASP HB2 . 17661 1 21 . 1 1 5 5 ASP HB3 H 1 2.805 . . 2 . . . A 5 ASP HB3 . 17661 1 22 . 1 1 6 6 MET H H 1 7.903 . . 1 . . . A 6 MET H . 17661 1 23 . 1 1 6 6 MET HA H 1 4.630 . . 1 . . . A 6 MET HA . 17661 1 24 . 1 1 6 6 MET HB2 H 1 2.066 . . 2 . . . A 6 MET HB2 . 17661 1 25 . 1 1 6 6 MET HB3 H 1 1.765 . . 2 . . . A 6 MET HB3 . 17661 1 26 . 1 1 6 6 MET HG2 H 1 2.438 . . 2 . . . A 6 MET HG2 . 17661 1 27 . 1 1 6 6 MET HG3 H 1 2.322 . . 2 . . . A 6 MET HG3 . 17661 1 28 . 1 1 6 6 MET HE1 H 1 1.690 . . 1 . . . A 6 MET HE1 . 17661 1 29 . 1 1 6 6 MET HE2 H 1 1.690 . . 1 . . . A 6 MET HE1 . 17661 1 30 . 1 1 6 6 MET HE3 H 1 1.690 . . 1 . . . A 6 MET HE1 . 17661 1 31 . 1 1 7 7 SER H H 1 8.179 . . 1 . . . A 7 SER H . 17661 1 32 . 1 1 7 7 SER HA H 1 4.471 . . 1 . . . A 7 SER HA . 17661 1 33 . 1 1 7 7 SER HB2 H 1 4.235 . . 2 . . . A 7 SER HB2 . 17661 1 34 . 1 1 7 7 SER HB3 H 1 3.973 . . 2 . . . A 7 SER HB3 . 17661 1 35 . 1 1 8 8 ASP H H 1 8.809 . . 1 . . . A 8 ASP H . 17661 1 36 . 1 1 8 8 ASP HA H 1 4.385 . . 1 . . . A 8 ASP HA . 17661 1 37 . 1 1 8 8 ASP HB2 H 1 2.884 . . 2 . . . A 8 ASP HB2 . 17661 1 38 . 1 1 8 8 ASP HB3 H 1 2.837 . . 2 . . . A 8 ASP HB3 . 17661 1 39 . 1 1 9 9 LEU H H 1 8.331 . . 1 . . . A 9 LEU H . 17661 1 40 . 1 1 9 9 LEU HA H 1 4.048 . . 1 . . . A 9 LEU HA . 17661 1 41 . 1 1 9 9 LEU HB2 H 1 1.625 . . 2 . . . A 9 LEU HB2 . 17661 1 42 . 1 1 9 9 LEU HB3 H 1 1.625 . . 2 . . . A 9 LEU HB3 . 17661 1 43 . 1 1 9 9 LEU HG H 1 1.537 . . 1 . . . A 9 LEU HG . 17661 1 44 . 1 1 9 9 LEU HD11 H 1 0.853 . . 4 . . . A 9 LEU HD11 . 17661 1 45 . 1 1 9 9 LEU HD12 H 1 0.853 . . 4 . . . A 9 LEU HD12 . 17661 1 46 . 1 1 9 9 LEU HD13 H 1 0.853 . . 4 . . . A 9 LEU HD13 . 17661 1 47 . 1 1 9 9 LEU HD21 H 1 0.904 . . 4 . . . A 9 LEU HD21 . 17661 1 48 . 1 1 9 9 LEU HD22 H 1 0.904 . . 4 . . . A 9 LEU HD22 . 17661 1 49 . 1 1 9 9 LEU HD23 H 1 0.904 . . 4 . . . A 9 LEU HD23 . 17661 1 50 . 1 1 10 10 GLU H H 1 7.757 . . 1 . . . A 10 GLU H . 17661 1 51 . 1 1 10 10 GLU HA H 1 4.069 . . 1 . . . A 10 GLU HA . 17661 1 52 . 1 1 10 10 GLU HB2 H 1 2.149 . . 2 . . . A 10 GLU HB2 . 17661 1 53 . 1 1 10 10 GLU HB3 H 1 2.071 . . 2 . . . A 10 GLU HB3 . 17661 1 54 . 1 1 10 10 GLU HG2 H 1 2.537 . . 2 . . . A 10 GLU HG2 . 17661 1 55 . 1 1 10 10 GLU HG3 H 1 2.537 . . 2 . . . A 10 GLU HG3 . 17661 1 56 . 1 1 11 11 CYS H H 1 8.510 . . 1 . . . A 11 CYS H . 17661 1 57 . 1 1 11 11 CYS HA H 1 4.585 . . 1 . . . A 11 CYS HA . 17661 1 58 . 1 1 11 11 CYS HB2 H 1 3.108 . . 2 . . . A 11 CYS HB2 . 17661 1 59 . 1 1 11 11 CYS HB3 H 1 3.108 . . 2 . . . A 11 CYS HB3 . 17661 1 60 . 1 1 12 12 MET H H 1 8.203 . . 1 . . . A 12 MET H . 17661 1 61 . 1 1 12 12 MET HA H 1 4.097 . . 1 . . . A 12 MET HA . 17661 1 62 . 1 1 12 12 MET HB2 H 1 2.150 . . 2 . . . A 12 MET HB2 . 17661 1 63 . 1 1 12 12 MET HB3 H 1 2.081 . . 2 . . . A 12 MET HB3 . 17661 1 64 . 1 1 12 12 MET HG2 H 1 2.615 . . 2 . . . A 12 MET HG2 . 17661 1 65 . 1 1 12 12 MET HG3 H 1 2.534 . . 2 . . . A 12 MET HG3 . 17661 1 66 . 1 1 12 12 MET HE1 H 1 2.002 . . 1 . . . A 12 MET HE1 . 17661 1 67 . 1 1 12 12 MET HE2 H 1 2.002 . . 1 . . . A 12 MET HE1 . 17661 1 68 . 1 1 12 12 MET HE3 H 1 2.002 . . 1 . . . A 12 MET HE1 . 17661 1 69 . 1 1 13 13 ASN H H 1 7.819 . . 1 . . . A 13 ASN H . 17661 1 70 . 1 1 13 13 ASN HA H 1 4.469 . . 1 . . . A 13 ASN HA . 17661 1 71 . 1 1 13 13 ASN HB2 H 1 2.752 . . 2 . . . A 13 ASN HB2 . 17661 1 72 . 1 1 13 13 ASN HB3 H 1 2.752 . . 2 . . . A 13 ASN HB3 . 17661 1 73 . 1 1 13 13 ASN HD21 H 1 6.857 . . 2 . . . A 13 ASN HD21 . 17661 1 74 . 1 1 13 13 ASN HD22 H 1 7.428 . . 2 . . . A 13 ASN HD22 . 17661 1 75 . 1 1 14 14 PHE H H 1 8.408 . . 1 . . . A 14 PHE H . 17661 1 76 . 1 1 14 14 PHE HA H 1 4.375 . . 1 . . . A 14 PHE HA . 17661 1 77 . 1 1 14 14 PHE HB2 H 1 3.210 . . 2 . . . A 14 PHE HB2 . 17661 1 78 . 1 1 14 14 PHE HB3 H 1 3.158 . . 2 . . . A 14 PHE HB3 . 17661 1 79 . 1 1 14 14 PHE HD1 H 1 7.277 . . 2 . . . A 14 PHE HD1 . 17661 1 80 . 1 1 14 14 PHE HD2 H 1 7.277 . . 2 . . . A 14 PHE HD2 . 17661 1 81 . 1 1 14 14 PHE HE1 H 1 7.308 . . 2 . . . A 14 PHE HE1 . 17661 1 82 . 1 1 14 14 PHE HE2 H 1 7.308 . . 2 . . . A 14 PHE HE2 . 17661 1 83 . 1 1 14 14 PHE HZ H 1 7.384 . . 1 . . . A 14 PHE HZ . 17661 1 84 . 1 1 15 15 CYS H H 1 8.416 . . 1 . . . A 15 CYS H . 17661 1 85 . 1 1 15 15 CYS HA H 1 4.631 . . 1 . . . A 15 CYS HA . 17661 1 86 . 1 1 15 15 CYS HB2 H 1 3.125 . . 2 . . . A 15 CYS HB2 . 17661 1 87 . 1 1 15 15 CYS HB3 H 1 2.807 . . 2 . . . A 15 CYS HB3 . 17661 1 88 . 1 1 16 16 HIS H H 1 7.847 . . 1 . . . A 16 HIS H . 17661 1 89 . 1 1 16 16 HIS HA H 1 4.628 . . 1 . . . A 16 HIS HA . 17661 1 90 . 1 1 16 16 HIS HB2 H 1 3.305 . . 2 . . . A 16 HIS HB2 . 17661 1 91 . 1 1 16 16 HIS HB3 H 1 3.305 . . 2 . . . A 16 HIS HB3 . 17661 1 92 . 1 1 16 16 HIS HD2 H 1 7.198 . . 2 . . . A 16 HIS HD2 . 17661 1 93 . 1 1 16 16 HIS HE1 H 1 8.536 . . 2 . . . A 16 HIS HE1 . 17661 1 94 . 1 1 17 17 LYS H H 1 7.969 . . 1 . . . A 17 LYS H . 17661 1 95 . 1 1 17 17 LYS HA H 1 4.268 . . 1 . . . A 17 LYS HA . 17661 1 96 . 1 1 17 17 LYS HB2 H 1 1.788 . . 2 . . . A 17 LYS HB2 . 17661 1 97 . 1 1 17 17 LYS HB3 H 1 1.726 . . 2 . . . A 17 LYS HB3 . 17661 1 98 . 1 1 17 17 LYS HG2 H 1 1.341 . . 2 . . . A 17 LYS HG2 . 17661 1 99 . 1 1 17 17 LYS HG3 H 1 1.341 . . 2 . . . A 17 LYS HG3 . 17661 1 100 . 1 1 17 17 LYS HD2 H 1 1.618 . . 2 . . . A 17 LYS HD2 . 17661 1 101 . 1 1 17 17 LYS HD3 H 1 1.618 . . 2 . . . A 17 LYS HD3 . 17661 1 102 . 1 1 17 17 LYS HE2 H 1 2.922 . . 2 . . . A 17 LYS HE2 . 17661 1 103 . 1 1 17 17 LYS HE3 H 1 2.922 . . 2 . . . A 17 LYS HE3 . 17661 1 104 . 1 1 17 17 LYS HZ1 H 1 7.489 . . 1 . . . A 17 LYS HZ1 . 17661 1 105 . 1 1 17 17 LYS HZ2 H 1 7.489 . . 1 . . . A 17 LYS HZ2 . 17661 1 106 . 1 1 17 17 LYS HZ3 H 1 7.489 . . 1 . . . A 17 LYS HZ3 . 17661 1 107 . 1 1 18 18 ASP H H 1 8.353 . . 1 . . . A 18 ASP H . 17661 1 108 . 1 1 18 18 ASP HA H 1 4.650 . . 1 . . . A 18 ASP HA . 17661 1 109 . 1 1 18 18 ASP HB2 H 1 2.874 . . 2 . . . A 18 ASP HB2 . 17661 1 110 . 1 1 18 18 ASP HB3 H 1 2.743 . . 2 . . . A 18 ASP HB3 . 17661 1 111 . 1 1 19 19 VAL H H 1 7.901 . . 1 . . . A 19 VAL H . 17661 1 112 . 1 1 19 19 VAL HA H 1 4.029 . . 1 . . . A 19 VAL HA . 17661 1 113 . 1 1 19 19 VAL HB H 1 1.920 . . 1 . . . A 19 VAL HB . 17661 1 114 . 1 1 19 19 VAL HG11 H 1 0.710 . . 4 . . . A 19 VAL HG11 . 17661 1 115 . 1 1 19 19 VAL HG12 H 1 0.710 . . 4 . . . A 19 VAL HG12 . 17661 1 116 . 1 1 19 19 VAL HG13 H 1 0.710 . . 4 . . . A 19 VAL HG13 . 17661 1 117 . 1 1 19 19 VAL HG21 H 1 0.805 . . 4 . . . A 19 VAL HG21 . 17661 1 118 . 1 1 19 19 VAL HG22 H 1 0.805 . . 4 . . . A 19 VAL HG22 . 17661 1 119 . 1 1 19 19 VAL HG23 H 1 0.805 . . 4 . . . A 19 VAL HG23 . 17661 1 120 . 1 1 20 20 ILE H H 1 8.032 . . 1 . . . A 20 ILE H . 17661 1 121 . 1 1 20 20 ILE HA H 1 4.108 . . 1 . . . A 20 ILE HA . 17661 1 122 . 1 1 20 20 ILE HB H 1 1.754 . . 1 . . . A 20 ILE HB . 17661 1 123 . 1 1 20 20 ILE HG12 H 1 1.361 . . 9 . . . A 20 ILE HG12 . 17661 1 124 . 1 1 20 20 ILE HG13 H 1 1.089 . . 9 . . . A 20 ILE HG13 . 17661 1 125 . 1 1 20 20 ILE HG21 H 1 0.770 . . 4 . . . A 20 ILE HG21 . 17661 1 126 . 1 1 20 20 ILE HG22 H 1 0.770 . . 4 . . . A 20 ILE HG22 . 17661 1 127 . 1 1 20 20 ILE HG23 H 1 0.770 . . 4 . . . A 20 ILE HG23 . 17661 1 128 . 1 1 20 20 ILE HD11 H 1 0.770 . . 1 . . . A 20 ILE HD11 . 17661 1 129 . 1 1 20 20 ILE HD12 H 1 0.770 . . 1 . . . A 20 ILE HD12 . 17661 1 130 . 1 1 20 20 ILE HD13 H 1 0.770 . . 1 . . . A 20 ILE HD13 . 17661 1 131 . 1 1 21 21 TRP H H 1 8.230 . . 1 . . . A 21 TRP H . 17661 1 132 . 1 1 21 21 TRP HA H 1 4.657 . . 1 . . . A 21 TRP HA . 17661 1 133 . 1 1 21 21 TRP HB2 H 1 3.213 . . 2 . . . A 21 TRP HB2 . 17661 1 134 . 1 1 21 21 TRP HB3 H 1 3.136 . . 2 . . . A 21 TRP HB3 . 17661 1 135 . 1 1 21 21 TRP HD1 H 1 7.162 . . 1 . . . A 21 TRP HD1 . 17661 1 136 . 1 1 21 21 TRP HE1 H 1 10.033 . . 2 . . . A 21 TRP HE1 . 17661 1 137 . 1 1 21 21 TRP HE3 H 1 7.564 . . 2 . . . A 21 TRP HE3 . 17661 1 138 . 1 1 21 21 TRP HZ2 H 1 7.429 . . 2 . . . A 21 TRP HZ2 . 17661 1 139 . 1 1 21 21 TRP HZ3 H 1 7.090 . . 2 . . . A 21 TRP HZ3 . 17661 1 140 . 1 1 21 21 TRP HH2 H 1 7.174 . . 1 . . . A 21 TRP HH2 . 17661 1 141 . 1 1 22 22 VAL H H 1 7.795 . . 1 . . . A 22 VAL H . 17661 1 142 . 1 1 22 22 VAL HA H 1 3.958 . . 1 . . . A 22 VAL HA . 17661 1 143 . 1 1 22 22 VAL HB H 1 1.885 . . 1 . . . A 22 VAL HB . 17661 1 144 . 1 1 22 22 VAL HG11 H 1 0.801 . . 4 . . . A 22 VAL HG11 . 17661 1 145 . 1 1 22 22 VAL HG12 H 1 0.801 . . 4 . . . A 22 VAL HG12 . 17661 1 146 . 1 1 22 22 VAL HG13 H 1 0.801 . . 4 . . . A 22 VAL HG13 . 17661 1 147 . 1 1 22 22 VAL HG21 H 1 0.801 . . 2 . . . A 22 VAL HG21 . 17661 1 148 . 1 1 22 22 VAL HG22 H 1 0.801 . . 2 . . . A 22 VAL HG22 . 17661 1 149 . 1 1 22 22 VAL HG23 H 1 0.801 . . 2 . . . A 22 VAL HG23 . 17661 1 150 . 1 1 23 23 ASN H H 1 8.308 . . 1 . . . A 23 ASN H . 17661 1 151 . 1 1 23 23 ASN HA H 1 4.510 . . 1 . . . A 23 ASN HA . 17661 1 152 . 1 1 23 23 ASN HB2 H 1 2.768 . . 2 . . . A 23 ASN HB2 . 17661 1 153 . 1 1 23 23 ASN HB3 H 1 2.620 . . 2 . . . A 23 ASN HB3 . 17661 1 154 . 1 1 23 23 ASN HD21 H 1 6.891 . . 2 . . . A 23 ASN HD21 . 17661 1 155 . 1 1 23 23 ASN HD22 H 1 7.549 . . 2 . . . A 23 ASN HD22 . 17661 1 156 . 1 1 24 24 ARG H H 1 8.214 . . 1 . . . A 24 ARG H . 17661 1 157 . 1 1 24 24 ARG HA H 1 4.282 . . 1 . . . A 24 ARG HA . 17661 1 158 . 1 1 24 24 ARG HB2 H 1 1.821 . . 2 . . . A 24 ARG HB2 . 17661 1 159 . 1 1 24 24 ARG HB3 H 1 1.667 . . 2 . . . A 24 ARG HB3 . 17661 1 160 . 1 1 24 24 ARG HG2 H 1 1.533 . . 2 . . . A 24 ARG HG2 . 17661 1 161 . 1 1 24 24 ARG HG3 H 1 1.533 . . 2 . . . A 24 ARG HG3 . 17661 1 162 . 1 1 24 24 ARG HD2 H 1 3.068 . . 2 . . . A 24 ARG HD2 . 17661 1 163 . 1 1 24 24 ARG HD3 H 1 3.068 . . 2 . . . A 24 ARG HD3 . 17661 1 164 . 1 1 24 24 ARG HE H 1 7.069 . . 1 . . . A 24 ARG HE . 17661 1 165 . 1 1 25 25 ASN H H 1 8.279 . . 1 . . . A 25 ASN H . 17661 1 166 . 1 1 25 25 ASN HA H 1 4.649 . . 1 . . . A 25 ASN HA . 17661 1 167 . 1 1 25 25 ASN HB2 H 1 2.816 . . 2 . . . A 25 ASN HB2 . 17661 1 168 . 1 1 25 25 ASN HB3 H 1 2.750 . . 2 . . . A 25 ASN HB3 . 17661 1 169 . 1 1 25 25 ASN HD21 H 1 6.846 . . 2 . . . A 25 ASN HD21 . 17661 1 170 . 1 1 25 25 ASN HD22 H 1 7.537 . . 2 . . . A 25 ASN HD22 . 17661 1 stop_ save_