data_18009 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18009 _Entry.Title ; NMR structure of the lambda 5 22-45 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-19 _Entry.Accession_date 2011-10-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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.Entry_ID 1 Latifa Elantak . . . 18009 2 Marion Espeli . . . 18009 3 Annie Boned . . . 18009 4 Olivier Bornet . . . 18009 5 Caroline Breton . . . 18009 6 Mikael Feracci . . . 18009 7 Philippe Roche . . . 18009 8 Francoise Guerlesquin . . . 18009 9 Claudine Schiff . . . 18009 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' . 18009 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'b cell development' . 18009 'lambda 5' . 18009 pre-BCR . 18009 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18009 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 159 18009 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 . . 2013-03-12 2011-10-19 update BMRB 'update entry citation' 18009 1 . . 2012-10-22 2011-10-19 original author 'original release' 18009 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LKQ 'BMRB Entry Tracking System' 18009 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18009 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23124203 _Citation.Full_citation . _Citation.Title 'Structural basis for galectin-1-dependent pre-B cell receptor (pre-BCR) activation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 53 _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 44703 _Citation.Page_last 44713 _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 Latifa Elantak . . . 18009 1 2 Marion Espeli . . . 18009 1 3 Annie Boned . . . 18009 1 4 Olivier Bornet . . . 18009 1 5 Jeremy Bonzi . . . 18009 1 6 Laurent Gauthier . . . 18009 1 7 Mikael Feracci . . . 18009 1 8 Philippe Roche . . . 18009 1 9 Francoise Guerlesquin . . . 18009 1 10 Claudine Schiff . . . 18009 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18009 _Assembly.ID 1 _Assembly.Name lambda_5_22-45_peptide _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 lambda_5_22-45_peptide 1 $lambda_5_22-45_peptide A . yes native no no . . . 18009 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lambda_5_22-45_peptide _Entity.Sf_category entity _Entity.Sf_framecode lambda_5_22-45_peptide _Entity.Entry_ID 18009 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; SRSSLRSRWGRFLLQRGSWT GPRC ; _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2856.299 _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 2LKQ . "Nmr Structure Of The Lambda 5 22-45 Peptide" . . . . . 100.00 24 100.00 100.00 4.31e-06 . . . . 18009 1 2 no DBJ BAI46548 . "immunoglobulin lambda-like polypeptide 1 [synthetic construct]" . . . . . 100.00 213 100.00 100.00 2.29e-06 . . . . 18009 1 3 no GB AAA36096 . "omega protein [Homo sapiens]" . . . . . 100.00 213 100.00 100.00 2.29e-06 . . . . 18009 1 4 no GB AAA36100 . "immunoglobulin-related protein 14.1 [Homo sapiens]" . . . . . 100.00 213 100.00 100.00 2.29e-06 . . . . 18009 1 5 no GB AAH12293 . "Immunoglobulin lambda-like polypeptide 1 [Homo sapiens]" . . . . . 100.00 213 100.00 100.00 2.29e-06 . . . . 18009 1 6 no GB ABM84504 . "immunoglobulin lambda-like polypeptide 1 [synthetic construct]" . . . . . 100.00 213 100.00 100.00 2.29e-06 . . . . 18009 1 7 no GB ABM85566 . "immunoglobulin lambda-like polypeptide 1 [synthetic construct]" . . . . . 100.00 213 100.00 100.00 2.29e-06 . . . . 18009 1 8 no REF NP_064455 . "immunoglobulin lambda-like polypeptide 1 isoform a precursor [Homo sapiens]" . . . . . 100.00 213 100.00 100.00 2.29e-06 . . . . 18009 1 9 no REF XP_003282108 . "PREDICTED: immunoglobulin lambda-like polypeptide 1 isoform X2 [Nomascus leucogenys]" . . . . . 100.00 213 100.00 100.00 2.62e-06 . . . . 18009 1 10 no REF XP_003814324 . "PREDICTED: immunoglobulin lambda-like polypeptide 1 [Pan paniscus]" . . . . . 58.33 235 100.00 100.00 3.71e+00 . . . . 18009 1 11 no REF XP_004063189 . "PREDICTED: immunoglobulin lambda-like polypeptide 1-like isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 213 100.00 100.00 2.17e-06 . . . . 18009 1 12 no REF XP_004063194 . "PREDICTED: immunoglobulin lambda-like polypeptide 1-like [Gorilla gorilla gorilla]" . . . . . 58.33 246 100.00 100.00 3.74e+00 . . . . 18009 1 13 no SP P15814 . "RecName: Full=Immunoglobulin lambda-like polypeptide 1; AltName: Full=CD179 antigen-like family member B; AltName: Full=Ig lamb" . . . . . 100.00 213 100.00 100.00 2.29e-06 . . . . 18009 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 SER . 18009 1 2 2 ARG . 18009 1 3 3 SER . 18009 1 4 4 SER . 18009 1 5 5 LEU . 18009 1 6 6 ARG . 18009 1 7 7 SER . 18009 1 8 8 ARG . 18009 1 9 9 TRP . 18009 1 10 10 GLY . 18009 1 11 11 ARG . 18009 1 12 12 PHE . 18009 1 13 13 LEU . 18009 1 14 14 LEU . 18009 1 15 15 GLN . 18009 1 16 16 ARG . 18009 1 17 17 GLY . 18009 1 18 18 SER . 18009 1 19 19 TRP . 18009 1 20 20 THR . 18009 1 21 21 GLY . 18009 1 22 22 PRO . 18009 1 23 23 ARG . 18009 1 24 24 CYS . 18009 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 . SER 1 1 18009 1 . ARG 2 2 18009 1 . SER 3 3 18009 1 . SER 4 4 18009 1 . LEU 5 5 18009 1 . ARG 6 6 18009 1 . SER 7 7 18009 1 . ARG 8 8 18009 1 . TRP 9 9 18009 1 . GLY 10 10 18009 1 . ARG 11 11 18009 1 . PHE 12 12 18009 1 . LEU 13 13 18009 1 . LEU 14 14 18009 1 . GLN 15 15 18009 1 . ARG 16 16 18009 1 . GLY 17 17 18009 1 . SER 18 18 18009 1 . TRP 19 19 18009 1 . THR 20 20 18009 1 . GLY 21 21 18009 1 . PRO 22 22 18009 1 . ARG 23 23 18009 1 . CYS 24 24 18009 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 18009 _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 $lambda_5_22-45_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18009 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 18009 _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 $lambda_5_22-45_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18009 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18009 _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 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18009 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18009 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18009 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 18009 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.2 . pH 18009 1 pressure 1 . atm 18009 1 temperature 303 . K 18009 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18009 _Software.ID 1 _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' . . 18009 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18009 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18009 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 18009 _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 . . . 18009 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 18009 _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 TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18009 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18009 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 18009 _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 water protons . . . . ppm 4.689 internal direct 1 . . . . . . . . . 18009 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 18009 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 18009 1 2 '2D 1H-1H NOESY' . . . 18009 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 SER HA H 1 4.044 0.000 . 1 . . . A 1 SER HA . 18009 1 2 . 1 1 2 2 ARG H H 1 8.714 0.005 . 1 . . . A 2 ARG H . 18009 1 3 . 1 1 2 2 ARG HA H 1 4.263 0.005 . 1 . . . A 2 ARG HA . 18009 1 4 . 1 1 2 2 ARG HB2 H 1 1.721 0.002 . 2 . . . A 2 ARG HB2 . 18009 1 5 . 1 1 2 2 ARG HB3 H 1 1.650 0.002 . 2 . . . A 2 ARG HB3 . 18009 1 6 . 1 1 2 2 ARG HG2 H 1 1.510 0.000 . 2 . . . A 2 ARG HG2 . 18009 1 7 . 1 1 2 2 ARG HG3 H 1 1.510 0.000 . 2 . . . A 2 ARG HG3 . 18009 1 8 . 1 1 2 2 ARG HD2 H 1 3.035 0.009 . 2 . . . A 2 ARG HD2 . 18009 1 9 . 1 1 2 2 ARG HD3 H 1 3.035 0.009 . 2 . . . A 2 ARG HD3 . 18009 1 10 . 1 1 3 3 SER H H 1 8.369 0.003 . 1 . . . A 3 SER H . 18009 1 11 . 1 1 3 3 SER HA H 1 4.320 0.002 . 1 . . . A 3 SER HA . 18009 1 12 . 1 1 3 3 SER HB2 H 1 3.739 0.000 . 2 . . . A 3 SER HB2 . 18009 1 13 . 1 1 3 3 SER HB3 H 1 3.695 0.001 . 2 . . . A 3 SER HB3 . 18009 1 14 . 1 1 4 4 SER H H 1 8.318 0.001 . 1 . . . A 4 SER H . 18009 1 15 . 1 1 4 4 SER HA H 1 4.317 0.002 . 1 . . . A 4 SER HA . 18009 1 16 . 1 1 4 4 SER HB2 H 1 3.767 0.006 . 2 . . . A 4 SER HB2 . 18009 1 17 . 1 1 4 4 SER HB3 H 1 3.714 0.003 . 2 . . . A 4 SER HB3 . 18009 1 18 . 1 1 5 5 LEU H H 1 8.125 0.001 . 1 . . . A 5 LEU H . 18009 1 19 . 1 1 5 5 LEU HA H 1 4.160 0.006 . 1 . . . A 5 LEU HA . 18009 1 20 . 1 1 5 5 LEU HB2 H 1 1.491 0.002 . 2 . . . A 5 LEU HB2 . 18009 1 21 . 1 1 5 5 LEU HB3 H 1 1.491 0.002 . 2 . . . A 5 LEU HB3 . 18009 1 22 . 1 1 5 5 LEU HG H 1 1.466 0.009 . 1 . . . A 5 LEU HG . 18009 1 23 . 1 1 5 5 LEU HD11 H 1 0.729 0.023 . . . . . A 5 LEU HD11 . 18009 1 24 . 1 1 5 5 LEU HD12 H 1 0.729 0.023 . . . . . A 5 LEU HD12 . 18009 1 25 . 1 1 5 5 LEU HD13 H 1 0.729 0.023 . . . . . A 5 LEU HD13 . 18009 1 26 . 1 1 5 5 LEU HD21 H 1 0.749 0.030 . . . . . A 5 LEU HD21 . 18009 1 27 . 1 1 5 5 LEU HD22 H 1 0.749 0.030 . . . . . A 5 LEU HD22 . 18009 1 28 . 1 1 5 5 LEU HD23 H 1 0.749 0.030 . . . . . A 5 LEU HD23 . 18009 1 29 . 1 1 6 6 ARG H H 1 8.154 0.003 . 1 . . . A 6 ARG H . 18009 1 30 . 1 1 6 6 ARG HA H 1 4.107 0.002 . 1 . . . A 6 ARG HA . 18009 1 31 . 1 1 6 6 ARG HB2 H 1 1.653 0.002 . 2 . . . A 6 ARG HB2 . 18009 1 32 . 1 1 6 6 ARG HB3 H 1 1.567 0.004 . 2 . . . A 6 ARG HB3 . 18009 1 33 . 1 1 6 6 ARG HG2 H 1 1.378 0.004 . 2 . . . A 6 ARG HG2 . 18009 1 34 . 1 1 6 6 ARG HG3 H 1 1.378 0.004 . 2 . . . A 6 ARG HG3 . 18009 1 35 . 1 1 6 6 ARG HD2 H 1 2.962 0.007 . 2 . . . A 6 ARG HD2 . 18009 1 36 . 1 1 6 6 ARG HD3 H 1 2.962 0.007 . 2 . . . A 6 ARG HD3 . 18009 1 37 . 1 1 7 7 SER H H 1 8.091 0.002 . 1 . . . A 7 SER H . 18009 1 38 . 1 1 7 7 SER HA H 1 4.235 0.002 . 1 . . . A 7 SER HA . 18009 1 39 . 1 1 7 7 SER HB2 H 1 3.712 0.000 . 2 . . . A 7 SER HB2 . 18009 1 40 . 1 1 7 7 SER HB3 H 1 3.636 0.002 . 2 . . . A 7 SER HB3 . 18009 1 41 . 1 1 8 8 ARG H H 1 8.166 0.005 . 1 . . . A 8 ARG H . 18009 1 42 . 1 1 8 8 ARG HA H 1 4.060 0.002 . 1 . . . A 8 ARG HA . 18009 1 43 . 1 1 8 8 ARG HB2 H 1 1.447 0.005 . 2 . . . A 8 ARG HB2 . 18009 1 44 . 1 1 8 8 ARG HB3 H 1 1.447 0.005 . 2 . . . A 8 ARG HB3 . 18009 1 45 . 1 1 8 8 ARG HG2 H 1 1.172 0.001 . 2 . . . A 8 ARG HG2 . 18009 1 46 . 1 1 8 8 ARG HG3 H 1 1.172 0.001 . 2 . . . A 8 ARG HG3 . 18009 1 47 . 1 1 8 8 ARG HD2 H 1 2.834 0.004 . 2 . . . A 8 ARG HD2 . 18009 1 48 . 1 1 8 8 ARG HD3 H 1 2.834 0.004 . 2 . . . A 8 ARG HD3 . 18009 1 49 . 1 1 8 8 ARG HE H 1 6.873 0.001 . 1 . . . A 8 ARG HE . 18009 1 50 . 1 1 9 9 TRP H H 1 7.934 0.002 . 1 . . . A 9 TRP H . 18009 1 51 . 1 1 9 9 TRP HA H 1 4.570 0.003 . 1 . . . A 9 TRP HA . 18009 1 52 . 1 1 9 9 TRP HB2 H 1 3.193 0.001 . 2 . . . A 9 TRP HB2 . 18009 1 53 . 1 1 9 9 TRP HB3 H 1 3.048 0.002 . 2 . . . A 9 TRP HB3 . 18009 1 54 . 1 1 9 9 TRP HD1 H 1 7.073 0.003 . 1 . . . A 9 TRP HD1 . 18009 1 55 . 1 1 9 9 TRP HE1 H 1 9.986 0.001 . 1 . . . A 9 TRP HE1 . 18009 1 56 . 1 1 9 9 TRP HE3 H 1 7.432 0.005 . 1 . . . A 9 TRP HE3 . 18009 1 57 . 1 1 9 9 TRP HZ2 H 1 7.321 0.004 . 1 . . . A 9 TRP HZ2 . 18009 1 58 . 1 1 10 10 GLY H H 1 7.995 0.002 . 1 . . . A 10 GLY H . 18009 1 59 . 1 1 10 10 GLY HA2 H 1 3.645 0.002 . 2 . . . A 10 GLY HA2 . 18009 1 60 . 1 1 10 10 GLY HA3 H 1 3.700 0.005 . 2 . . . A 10 GLY HA3 . 18009 1 61 . 1 1 11 11 ARG H H 1 7.931 0.002 . 1 . . . A 11 ARG H . 18009 1 62 . 1 1 11 11 ARG HA H 1 4.024 0.002 . 1 . . . A 11 ARG HA . 18009 1 63 . 1 1 11 11 ARG HB2 H 1 1.477 0.005 . 2 . . . A 11 ARG HB2 . 18009 1 64 . 1 1 11 11 ARG HB3 H 1 1.430 0.006 . 2 . . . A 11 ARG HB3 . 18009 1 65 . 1 1 11 11 ARG HG2 H 1 1.245 0.003 . 2 . . . A 11 ARG HG2 . 18009 1 66 . 1 1 11 11 ARG HG3 H 1 1.245 0.003 . 2 . . . A 11 ARG HG3 . 18009 1 67 . 1 1 11 11 ARG HD2 H 1 2.920 0.004 . 2 . . . A 11 ARG HD2 . 18009 1 68 . 1 1 11 11 ARG HD3 H 1 2.920 0.004 . 2 . . . A 11 ARG HD3 . 18009 1 69 . 1 1 11 11 ARG HE H 1 6.968 0.002 . 1 . . . A 11 ARG HE . 18009 1 70 . 1 1 12 12 PHE H H 1 8.027 0.001 . 1 . . . A 12 PHE H . 18009 1 71 . 1 1 12 12 PHE HA H 1 4.447 0.002 . 1 . . . A 12 PHE HA . 18009 1 72 . 1 1 12 12 PHE HB2 H 1 2.984 0.004 . 2 . . . A 12 PHE HB2 . 18009 1 73 . 1 1 12 12 PHE HB3 H 1 2.822 0.006 . 2 . . . A 12 PHE HB3 . 18009 1 74 . 1 1 12 12 PHE HD1 H 1 7.041 0.001 . 3 . . . A 12 PHE HD1 . 18009 1 75 . 1 1 12 12 PHE HD2 H 1 7.041 0.001 . 3 . . . A 12 PHE HD2 . 18009 1 76 . 1 1 12 12 PHE HE1 H 1 7.140 0.005 . 3 . . . A 12 PHE HE1 . 18009 1 77 . 1 1 12 12 PHE HE2 H 1 7.140 0.005 . 3 . . . A 12 PHE HE2 . 18009 1 78 . 1 1 13 13 LEU H H 1 7.893 0.001 . 1 . . . A 13 LEU H . 18009 1 79 . 1 1 13 13 LEU HA H 1 4.106 0.003 . 1 . . . A 13 LEU HA . 18009 1 80 . 1 1 13 13 LEU HB2 H 1 1.676 0.000 . 2 . . . A 13 LEU HB2 . 18009 1 81 . 1 1 13 13 LEU HB3 H 1 1.580 0.000 . 2 . . . A 13 LEU HB3 . 18009 1 82 . 1 1 13 13 LEU HG H 1 1.348 0.003 . 1 . . . A 13 LEU HG . 18009 1 83 . 1 1 13 13 LEU HD11 H 1 0.665 0.001 . . . . . A 13 LEU HD11 . 18009 1 84 . 1 1 13 13 LEU HD12 H 1 0.665 0.001 . . . . . A 13 LEU HD12 . 18009 1 85 . 1 1 13 13 LEU HD13 H 1 0.665 0.001 . . . . . A 13 LEU HD13 . 18009 1 86 . 1 1 13 13 LEU HD21 H 1 0.709 0.001 . . . . . A 13 LEU HD21 . 18009 1 87 . 1 1 13 13 LEU HD22 H 1 0.709 0.001 . . . . . A 13 LEU HD22 . 18009 1 88 . 1 1 13 13 LEU HD23 H 1 0.709 0.001 . . . . . A 13 LEU HD23 . 18009 1 89 . 1 1 14 14 LEU H H 1 7.920 0.001 . 1 . . . A 14 LEU H . 18009 1 90 . 1 1 14 14 LEU HA H 1 4.132 0.010 . 1 . . . A 14 LEU HA . 18009 1 91 . 1 1 14 14 LEU HB2 H 1 1.424 0.002 . 2 . . . A 14 LEU HB2 . 18009 1 92 . 1 1 14 14 LEU HB3 H 1 1.424 0.002 . 2 . . . A 14 LEU HB3 . 18009 1 93 . 1 1 14 14 LEU HG H 1 1.352 0.000 . 1 . . . A 14 LEU HG . 18009 1 94 . 1 1 14 14 LEU HD11 H 1 0.737 0.001 . . . . . A 14 LEU HD11 . 18009 1 95 . 1 1 14 14 LEU HD12 H 1 0.737 0.001 . . . . . A 14 LEU HD12 . 18009 1 96 . 1 1 14 14 LEU HD13 H 1 0.737 0.001 . . . . . A 14 LEU HD13 . 18009 1 97 . 1 1 14 14 LEU HD21 H 1 0.700 0.003 . . . . . A 14 LEU HD21 . 18009 1 98 . 1 1 14 14 LEU HD22 H 1 0.700 0.003 . . . . . A 14 LEU HD22 . 18009 1 99 . 1 1 14 14 LEU HD23 H 1 0.700 0.003 . . . . . A 14 LEU HD23 . 18009 1 100 . 1 1 15 15 GLN H H 1 8.117 0.002 . 1 . . . A 15 GLN H . 18009 1 101 . 1 1 15 15 GLN HA H 1 4.145 0.006 . 1 . . . A 15 GLN HA . 18009 1 102 . 1 1 15 15 GLN HB2 H 1 1.811 0.007 . 2 . . . A 15 GLN HB2 . 18009 1 103 . 1 1 15 15 GLN HB3 H 1 1.910 0.001 . 2 . . . A 15 GLN HB3 . 18009 1 104 . 1 1 15 15 GLN HG2 H 1 2.146 0.005 . 2 . . . A 15 GLN HG2 . 18009 1 105 . 1 1 15 15 GLN HG3 H 1 2.146 0.005 . 2 . . . A 15 GLN HG3 . 18009 1 106 . 1 1 15 15 GLN HE21 H 1 7.336 0.000 . 2 . . . A 15 GLN HE21 . 18009 1 107 . 1 1 15 15 GLN HE22 H 1 6.690 0.000 . 2 . . . A 15 GLN HE22 . 18009 1 108 . 1 1 16 16 ARG H H 1 8.123 0.002 . 1 . . . A 16 ARG H . 18009 1 109 . 1 1 16 16 ARG HA H 1 4.167 0.007 . 1 . . . A 16 ARG HA . 18009 1 110 . 1 1 16 16 ARG HB2 H 1 1.681 0.005 . 2 . . . A 16 ARG HB2 . 18009 1 111 . 1 1 16 16 ARG HB3 H 1 1.585 0.007 . 2 . . . A 16 ARG HB3 . 18009 1 112 . 1 1 16 16 ARG HG2 H 1 1.481 0.004 . 2 . . . A 16 ARG HG2 . 18009 1 113 . 1 1 16 16 ARG HG3 H 1 1.432 0.001 . 2 . . . A 16 ARG HG3 . 18009 1 114 . 1 1 16 16 ARG HD2 H 1 2.956 0.005 . 2 . . . A 16 ARG HD2 . 18009 1 115 . 1 1 16 16 ARG HD3 H 1 2.956 0.005 . 2 . . . A 16 ARG HD3 . 18009 1 116 . 1 1 16 16 ARG HE H 1 6.980 0.002 . 1 . . . A 16 ARG HE . 18009 1 117 . 1 1 17 17 GLY H H 1 8.252 0.002 . 1 . . . A 17 GLY H . 18009 1 118 . 1 1 17 17 GLY HA2 H 1 3.769 0.001 . 2 . . . A 17 GLY HA2 . 18009 1 119 . 1 1 17 17 GLY HA3 H 1 4.100 0.005 . 2 . . . A 17 GLY HA3 . 18009 1 120 . 1 1 18 18 SER H H 1 8.029 0.002 . 1 . . . A 18 SER H . 18009 1 121 . 1 1 18 18 SER HA H 1 4.315 0.002 . 1 . . . A 18 SER HA . 18009 1 122 . 1 1 18 18 SER HB2 H 1 3.675 0.002 . 2 . . . A 18 SER HB2 . 18009 1 123 . 1 1 18 18 SER HB3 H 1 3.675 0.002 . 2 . . . A 18 SER HB3 . 18009 1 124 . 1 1 19 19 TRP H H 1 8.159 0.001 . 1 . . . A 19 TRP H . 18009 1 125 . 1 1 19 19 TRP HA H 1 4.594 0.011 . 1 . . . A 19 TRP HA . 18009 1 126 . 1 1 19 19 TRP HB2 H 1 3.115 0.004 . 2 . . . A 19 TRP HB2 . 18009 1 127 . 1 1 19 19 TRP HB3 H 1 3.115 0.004 . 2 . . . A 19 TRP HB3 . 18009 1 128 . 1 1 19 19 TRP HD1 H 1 7.050 0.002 . 1 . . . A 19 TRP HD1 . 18009 1 129 . 1 1 19 19 TRP HE1 H 1 9.890 0.001 . 1 . . . A 19 TRP HE1 . 18009 1 130 . 1 1 19 19 TRP HE3 H 1 7.440 0.003 . 1 . . . A 19 TRP HE3 . 18009 1 131 . 1 1 19 19 TRP HZ2 H 1 7.312 0.000 . 1 . . . A 19 TRP HZ2 . 18009 1 132 . 1 1 20 20 THR H H 1 7.844 0.001 . 1 . . . A 20 THR H . 18009 1 133 . 1 1 20 20 THR HA H 1 4.162 0.002 . 1 . . . A 20 THR HA . 18009 1 134 . 1 1 20 20 THR HB H 1 3.986 0.001 . 1 . . . A 20 THR HB . 18009 1 135 . 1 1 20 20 THR HG21 H 1 0.934 0.001 . . . . . A 20 THR HG21 . 18009 1 136 . 1 1 20 20 THR HG22 H 1 0.934 0.001 . . . . . A 20 THR HG22 . 18009 1 137 . 1 1 20 20 THR HG23 H 1 0.934 0.001 . . . . . A 20 THR HG23 . 18009 1 138 . 1 1 21 21 GLY H H 1 7.268 0.002 . 1 . . . A 21 GLY H . 18009 1 139 . 1 1 21 21 GLY HA2 H 1 3.717 0.000 . 2 . . . A 21 GLY HA2 . 18009 1 140 . 1 1 21 21 GLY HA3 H 1 3.665 0.000 . 2 . . . A 21 GLY HA3 . 18009 1 141 . 1 1 22 22 PRO HA H 1 4.287 0.001 . 1 . . . A 22 PRO HA . 18009 1 142 . 1 1 22 22 PRO HB2 H 1 2.140 0.011 . 2 . . . A 22 PRO HB2 . 18009 1 143 . 1 1 22 22 PRO HB3 H 1 2.140 0.011 . 2 . . . A 22 PRO HB3 . 18009 1 144 . 1 1 22 22 PRO HG2 H 1 1.876 0.001 . 2 . . . A 22 PRO HG2 . 18009 1 145 . 1 1 22 22 PRO HG3 H 1 1.847 0.001 . 2 . . . A 22 PRO HG3 . 18009 1 146 . 1 1 22 22 PRO HD2 H 1 3.447 0.000 . 2 . . . A 22 PRO HD2 . 18009 1 147 . 1 1 22 22 PRO HD3 H 1 3.412 0.012 . 2 . . . A 22 PRO HD3 . 18009 1 148 . 1 1 23 23 ARG H H 1 8.392 0.004 . 1 . . . A 23 ARG H . 18009 1 149 . 1 1 23 23 ARG HA H 1 4.167 0.000 . 1 . . . A 23 ARG HA . 18009 1 150 . 1 1 23 23 ARG HB2 H 1 1.694 0.002 . 2 . . . A 23 ARG HB2 . 18009 1 151 . 1 1 23 23 ARG HB3 H 1 1.575 0.004 . 2 . . . A 23 ARG HB3 . 18009 1 152 . 1 1 23 23 ARG HG2 H 1 1.426 0.004 . 2 . . . A 23 ARG HG2 . 18009 1 153 . 1 1 23 23 ARG HG3 H 1 1.426 0.004 . 2 . . . A 23 ARG HG3 . 18009 1 154 . 1 1 23 23 ARG HD2 H 1 2.940 0.003 . 2 . . . A 23 ARG HD2 . 18009 1 155 . 1 1 23 23 ARG HD3 H 1 2.940 0.003 . 2 . . . A 23 ARG HD3 . 18009 1 156 . 1 1 23 23 ARG HE H 1 6.946 0.007 . 1 . . . A 23 ARG HE . 18009 1 157 . 1 1 24 24 CYS HA H 1 4.431 0.003 . 1 . . . A 24 CYS HA . 18009 1 158 . 1 1 24 24 CYS HB2 H 1 2.995 0.000 . 2 . . . A 24 CYS HB2 . 18009 1 159 . 1 1 24 24 CYS HB3 H 1 2.823 0.000 . 2 . . . A 24 CYS HB3 . 18009 1 stop_ save_