data_6107 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6107 _Entry.Title ; NMR structure of cross-reactive peptides from L. braziliensis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-19 _Entry.Accession_date 2004-02-19 _Entry.Last_release_date 2004-04-06 _Entry.Original_release_date 2004-04-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 M. Soares . R. . 6107 2 P. Bisch . M. . 6107 3 A. 'Campos de Carvalho' . C. . 6107 4 A. Valente . P. . 6107 5 F. Almeida . C.L. . 6107 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6107 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 58 6107 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 . . 2004-04-06 2004-02-19 original author . 6107 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6107 'peptide from human.' 6107 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6107 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14988012 _Citation.Full_citation . _Citation.Title 'Correlation between conformation and antibody binding: NMR structure of cross-reactive peptides from T.cruzi, Human and L. braziliensis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 560 _Citation.Journal_issue 1-3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 134 _Citation.Page_last 140 _Citation.Year 2004 _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 M. Soares . R. . 6107 1 2 P. Bisch . M. . 6107 1 3 A. 'Campos de Carvalho' . C. . 6107 1 4 A. Valente . P. . 6107 1 5 F. Almeida . C. . 6107 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Leishmania brazilienses' 6107 1 'antigenic peptide' 6107 1 'ribosomal p2 protein' 6107 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_60S-ARP-P2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_60S-ARP-P2 _Assembly.Entry_ID 6107 _Assembly.ID 1 _Assembly.Name '60S acidic ribosomal protein P2' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6107 1 stop_ 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 '60S acidic ribosomal protein P2' 1 $60S-ARP-P2 . . . native . . . . . 6107 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1S4H . . . . . . 6107 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '60S acidic ribosomal protein P2' system 6107 1 '60S acidic ribosomal protein P2' abbreviation 6107 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_60S-ARP-P2 _Entity.Sf_category entity _Entity.Sf_framecode 60S-ARP-P2 _Entity.Entry_ID 6107 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '60S acidic ribosomal protein P2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code EEADDDMGFGLFD _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2005-11-24 _Entity.DB_query_revised_last_date 2005-11-22 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 . . SWISS-PROT Q06382 . 'RLA3_LEIIN 60S acidic ribosomal protein P2-2' . . . . . 11.71 111 100 100 6.0 . . . . 6107 1 . . SWISS-PROT Q06383 . 'RLA2_LEIIN 60S acidic ribosomal protein P2-1' . . . . . 12.26 106 100 100 6.0 . . . . 6107 1 . . SWISS-PROT O44010 . 'RLA2_LEIBR 60S acidic ribosomal protein P2(Acidic ribosomal P2 beta protein) (P2B-protein)' . . . . . 12.38 105 100 100 6.0 . . . . 6107 1 . . SWISS-PROT O43940 . 'RLA2_LEIDO 60S acidic ribosomal protein P2(Acidic ribosomal protein 1)' . . . . . 12.38 105 100 100 6.0 . . . . 6107 1 . . REF XP_854050.1 . 'PREDICTED: similar to ribosomalprotein P1 isoform 2 [Canis familiaris]' . . . . . 14.94 87 100 100 6.0 . . . . 6107 1 . . PIR B48596 . "acidic ribosomal protein LiP' - Leishmaniadonovani infantum" . . . . . 11.71 111 100 100 6.0 . . . . 6107 1 . . PIR A48596 . 'acidic ribosomal protein LiP - Leishmaniadonovani infantum' . . . . . 12.26 106 100 100 6.0 . . . . 6107 1 . . GenBank AAU10518.1 . 'acidic ribosomal protein [Leishmaniadonovani]' . . . . . 12.38 105 100 100 6.0 . . . . 6107 1 . . GenBank AAC02540.1 . 'acidic ribosomal P2 beta protein[Leishmania braziliensis]' . . . . . 12.38 105 100 100 6.0 . . . . 6107 1 . . GenBank AAB88451.1 . 'acidic ribosomal protein-1; ARP-1[Leishmania donovani]' . . . . . 12.38 105 100 100 6.0 . . . . 6107 1 . . EMBL CAJ06912.1 . '60S acidic ribosomal protein P2,putative [Leishmania major]' . . . . . 10.40 125 100 100 6.0 . . . . 6107 1 . . EMBL CAJ03348.1 . '60S acidic ribosomal protein P2[Leishmania major]' . . . . . 11.71 111 100 100 6.0 . . . . 6107 1 . . EMBL CAJ03347.1 . '60S acidic ribosomal protein P2[Leishmania major]' . . . . . 11.71 111 100 100 6.0 . . . . 6107 1 . . EMBL CAA48154.1 . "acidic ribosomal protein LiP' [Leishmaniainfantum]" . . . . . 11.71 111 100 100 6.0 . . . . 6107 1 . . EMBL CAJ06911.1 . '60S acidic ribosomal protein P2,putative [Leishmania major]' . . . . . 12.26 106 100 100 6.0 . . . . 6107 1 . . PDB 1S4H . 'A Chain A, Nmr Structure Of Cross-ReactivePeptides From L. Braziliensis' . . . . . 100.00 13 100 100 6.0 . . . . 6107 1 . . BMRB 6107 . '60S acidic ribosomal protein P2' . . . . . 100.00 13 100 100 6.0 . . . . 6107 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '60S acidic ribosomal protein P2' common 6107 1 '60S acidic ribosomal protein P2' abbreviation 6107 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 . GLU . 6107 1 2 . GLU . 6107 1 3 . ALA . 6107 1 4 . ASP . 6107 1 5 . ASP . 6107 1 6 . ASP . 6107 1 7 . MET . 6107 1 8 . GLY . 6107 1 9 . PHE . 6107 1 10 . GLY . 6107 1 11 . LEU . 6107 1 12 . PHE . 6107 1 13 . ASP . 6107 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 . GLU 1 1 6107 1 . GLU 2 2 6107 1 . ALA 3 3 6107 1 . ASP 4 4 6107 1 . ASP 5 5 6107 1 . ASP 6 6 6107 1 . MET 7 7 6107 1 . GLY 8 8 6107 1 . PHE 9 9 6107 1 . GLY 10 10 6107 1 . LEU 11 11 6107 1 . PHE 12 12 6107 1 . ASP 13 13 6107 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 6107 _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 $60S-ARP-P2 . 5660 . . 'Leishmania braziliensis' 'Leishmania braziliensis' . . Eukaryota . Leishmania braziliensis . . . . . . . . . . . . . . . . . . . . . 6107 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 6107 _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 $60S-ARP-P2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6107 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6107 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 '60S acidic ribosomal protein P2' . . . 1 $60S-ARP-P2 . . 2 . . mM . . . . 6107 1 2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 6107 1 3 H2O . . . . . . . 90 . . % . . . . 6107 1 4 D2O . . . . . . . 10 . . % . . . . 6107 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6107 _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 5.5 . n/a 6107 1 temperature 278 . K 6107 1 'ionic strength' 10 . mM 6107 1 pressure 1 . atm 6107 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6107 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6107 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6107 _Software.ID 2 _Software.Name NMRView _Software.Version 5.03 _Software.Details 'Bruce A. Johnson' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6107 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6107 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6107 3 refinement 6107 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6107 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6107 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 400 . . . 6107 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 6107 _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 NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6107 1 2 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6107 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6107 _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 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6107 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6107 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6107 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 GLU H H 1 8.361 0.01 . 1 . . . . . . . . 6107 1 2 . 1 1 1 1 GLU HA H 1 4.053 0.01 . 1 . . . . . . . . 6107 1 3 . 1 1 1 1 GLU HB2 H 1 1.676 0.01 . 2 . . . . . . . . 6107 1 4 . 1 1 2 2 GLU H H 1 8.677 0.01 . 1 . . . . . . . . 6107 1 5 . 1 1 2 2 GLU HA H 1 4.047 0.01 . 1 . . . . . . . . 6107 1 6 . 1 1 2 2 GLU HB3 H 1 1.779 0.01 . 2 . . . . . . . . 6107 1 7 . 1 1 2 2 GLU HB2 H 1 1.655 0.01 . 2 . . . . . . . . 6107 1 8 . 1 1 2 2 GLU HG3 H 1 2.093 0.01 . 2 . . . . . . . . 6107 1 9 . 1 1 3 3 ALA H H 1 8.421 0.01 . 1 . . . . . . . . 6107 1 10 . 1 1 3 3 ALA HA H 1 3.971 0.01 . 1 . . . . . . . . 6107 1 11 . 1 1 3 3 ALA HB1 H 1 1.076 0.01 . 1 . . . . . . . . 6107 1 12 . 1 1 3 3 ALA HB2 H 1 1.076 0.01 . 1 . . . . . . . . 6107 1 13 . 1 1 3 3 ALA HB3 H 1 1.076 0.01 . 1 . . . . . . . . 6107 1 14 . 1 1 4 4 ASP H H 1 8.203 0.01 . 1 . . . . . . . . 6107 1 15 . 1 1 4 4 ASP HA H 1 4.288 0.01 . 1 . . . . . . . . 6107 1 16 . 1 1 4 4 ASP HB3 H 1 2.436 0.01 . 2 . . . . . . . . 6107 1 17 . 1 1 5 5 ASP H H 1 8.156 0.01 . 1 . . . . . . . . 6107 1 18 . 1 1 5 5 ASP HA H 1 4.288 0.01 . 1 . . . . . . . . 6107 1 19 . 1 1 5 5 ASP HB3 H 1 2.436 0.01 . 2 . . . . . . . . 6107 1 20 . 1 1 6 6 ASP H H 1 8.097 0.01 . 1 . . . . . . . . 6107 1 21 . 1 1 6 6 ASP HA H 1 4.297 0.01 . 1 . . . . . . . . 6107 1 22 . 1 1 6 6 ASP HB3 H 1 2.495 0.01 . 2 . . . . . . . . 6107 1 23 . 1 1 6 6 ASP HB2 H 1 2.445 0.01 . 2 . . . . . . . . 6107 1 24 . 1 1 7 7 MET H H 1 8.124 0.01 . 1 . . . . . . . . 6107 1 25 . 1 1 7 7 MET HA H 1 4.109 0.01 . 1 . . . . . . . . 6107 1 26 . 1 1 7 7 MET HB3 H 1 1.766 0.01 . 2 . . . . . . . . 6107 1 27 . 1 1 7 7 MET HB2 H 1 1.690 0.01 . 2 . . . . . . . . 6107 1 28 . 1 1 7 7 MET HG3 H 1 2.309 0.01 . 2 . . . . . . . . 6107 1 29 . 1 1 7 7 MET HG2 H 1 2.192 0.01 . 2 . . . . . . . . 6107 1 30 . 1 1 8 8 GLY H H 1 8.134 0.01 . 1 . . . . . . . . 6107 1 31 . 1 1 8 8 GLY HA3 H 1 3.557 0.01 . 2 . . . . . . . . 6107 1 32 . 1 1 8 8 GLY HA2 H 1 3.528 0.01 . 2 . . . . . . . . 6107 1 33 . 1 1 9 9 PHE H H 1 7.896 0.01 . 1 . . . . . . . . 6107 1 34 . 1 1 9 9 PHE HA H 1 4.267 0.01 . 1 . . . . . . . . 6107 1 35 . 1 1 9 9 PHE HB3 H 1 2.872 0.01 . 2 . . . . . . . . 6107 1 36 . 1 1 9 9 PHE HB2 H 1 2.729 0.01 . 2 . . . . . . . . 6107 1 37 . 1 1 9 9 PHE HD1 H 1 7.046 0.01 . 3 . . . . . . . . 6107 1 38 . 1 1 9 9 PHE HD2 H 1 6.944 0.01 . 3 . . . . . . . . 6107 1 39 . 1 1 10 10 GLY H H 1 8.203 0.01 . 1 . . . . . . . . 6107 1 40 . 1 1 10 10 GLY HA3 H 1 3.496 0.01 . 2 . . . . . . . . 6107 1 41 . 1 1 10 10 GLY HA2 H 1 3.460 0.01 . 2 . . . . . . . . 6107 1 42 . 1 1 11 11 LEU H H 1 7.682 0.01 . 1 . . . . . . . . 6107 1 43 . 1 1 11 11 LEU HA H 1 3.947 0.01 . 1 . . . . . . . . 6107 1 44 . 1 1 11 11 LEU HB3 H 1 1.147 0.01 . 2 . . . . . . . . 6107 1 45 . 1 1 11 11 LEU HB2 H 1 1.021 0.01 . 2 . . . . . . . . 6107 1 46 . 1 1 11 11 LEU HD11 H 1 0.521 0.01 . 1 . . . . . . . . 6107 1 47 . 1 1 11 11 LEU HD12 H 1 0.521 0.01 . 1 . . . . . . . . 6107 1 48 . 1 1 11 11 LEU HD13 H 1 0.521 0.01 . 1 . . . . . . . . 6107 1 49 . 1 1 12 12 PHE H H 1 8.058 0.01 . 1 . . . . . . . . 6107 1 50 . 1 1 12 12 PHE HA H 1 4.389 0.01 . 1 . . . . . . . . 6107 1 51 . 1 1 12 12 PHE HB3 H 1 2.957 0.01 . 2 . . . . . . . . 6107 1 52 . 1 1 12 12 PHE HB2 H 1 2.627 0.01 . 2 . . . . . . . . 6107 1 53 . 1 1 12 12 PHE HD1 H 1 7.010 0.01 . 3 . . . . . . . . 6107 1 54 . 1 1 12 12 PHE HD2 H 1 6.945 0.01 . 3 . . . . . . . . 6107 1 55 . 1 1 13 13 ASP H H 1 7.741 0.01 . 1 . . . . . . . . 6107 1 56 . 1 1 13 13 ASP HA H 1 4.142 0.01 . 1 . . . . . . . . 6107 1 57 . 1 1 13 13 ASP HB3 H 1 2.444 0.01 . 2 . . . . . . . . 6107 1 58 . 1 1 13 13 ASP HB2 H 1 2.419 0.01 . 2 . . . . . . . . 6107 1 stop_ save_