data_4715 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4715 _Entry.Title ; Structural analysis of WW domains and design of a WW prototype ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-11 _Entry.Accession_date 2000-04-17 _Entry.Last_release_date 2000-06-15 _Entry.Original_release_date 2000-06-15 _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 Maria Macias . J . 4715 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4715 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 223 4715 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 . . 2000-06-15 2000-04-11 original author . 4715 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4715 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20264516 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural analysis of WW domains and design of a WW prototype' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 7 _Citation.Journal_issue 5 _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 375 _Citation.Page_last 379 _Citation.Year 2000 _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 Maria Macias . J. . 4715 1 2 V. Gervais . . . 4715 1 3 C. Civera . . . 4715 1 4 H. Oschkinat . . . 4715 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'WW domain' 4715 1 'signal transduction' 4715 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_WW-YQJ8 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_WW-YQJ8 _Assembly.Entry_ID 4715 _Assembly.ID 1 _Assembly.Name 'YQJ8 WW domain' _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 4715 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 'YQJ8 WW domain' 1 $YQJ8WW . . . native . . . . . 4715 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 1E0N . 'A Chain A, Yjq8ww Domain From Saccharomyces Cerevisae' . . . . 4715 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'YQJ8 WW domain' system 4715 1 YQJ8WW abbreviation 4715 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YQJ8WW _Entity.Sf_category entity _Entity.Sf_framecode YQJ8WW _Entity.Entry_ID 4715 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'WW domain' _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 ; MGGRLPPGWEIIHENGRPLY YNAEQKTKLHYPPSGSS ; _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 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . _Entity.DB_query_revised_last_date 2015-11-24 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 1E0N . "Yjq8ww Domain From Saccharomyces Cerevisae" . . . . . 72.97 27 100.00 100.00 2.55e-10 . . . . 4715 1 2 no DBJ GAA24198 . "K7_Set2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 91.89 733 100.00 100.00 5.71e-17 . . . . 4715 1 3 no EMBL CAA89464 . "EZL1 [Saccharomyces cerevisiae]" . . . . . 91.89 733 100.00 100.00 6.11e-17 . . . . 4715 1 4 no EMBL CAY80562 . "Set2p [Saccharomyces cerevisiae EC1118]" . . . . . 91.89 733 100.00 100.00 5.82e-17 . . . . 4715 1 5 no GB AHY78843 . "Set2p [Saccharomyces cerevisiae YJM993]" . . . . . 91.89 733 100.00 100.00 5.76e-17 . . . . 4715 1 6 no GB AJR53815 . "Set2p [Saccharomyces cerevisiae YJM681]" . . . . . 91.89 733 100.00 100.00 5.71e-17 . . . . 4715 1 7 no GB AJR54140 . "Set2p [Saccharomyces cerevisiae YJM682]" . . . . . 91.89 733 100.00 100.00 5.76e-17 . . . . 4715 1 8 no GB AJR54474 . "Set2p [Saccharomyces cerevisiae YJM683]" . . . . . 91.89 733 100.00 100.00 5.76e-17 . . . . 4715 1 9 no GB AJR54804 . "Set2p [Saccharomyces cerevisiae YJM689]" . . . . . 91.89 733 100.00 100.00 5.76e-17 . . . . 4715 1 10 no REF NP_012367 . "histone methyltransferase SET2 [Saccharomyces cerevisiae S288c]" . . . . . 91.89 733 100.00 100.00 6.11e-17 . . . . 4715 1 11 no SP P46995 . "RecName: Full=Histone-lysine N-methyltransferase, H3 lysine-36 specific; AltName: Full=Lysine N-methyltransferase 3; AltName: F" . . . . . 91.89 733 100.00 100.00 6.11e-17 . . . . 4715 1 12 no TPG DAA08635 . "TPA: histone methyltransferase SET2 [Saccharomyces cerevisiae S288c]" . . . . . 91.89 733 100.00 100.00 6.11e-17 . . . . 4715 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'WW domain' common 4715 1 YQJ8WW abbreviation 4715 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 . MET . 4715 1 2 . GLY . 4715 1 3 . GLY . 4715 1 4 . ARG . 4715 1 5 . LEU . 4715 1 6 . PRO . 4715 1 7 . PRO . 4715 1 8 . GLY . 4715 1 9 . TRP . 4715 1 10 . GLU . 4715 1 11 . ILE . 4715 1 12 . ILE . 4715 1 13 . HIS . 4715 1 14 . GLU . 4715 1 15 . ASN . 4715 1 16 . GLY . 4715 1 17 . ARG . 4715 1 18 . PRO . 4715 1 19 . LEU . 4715 1 20 . TYR . 4715 1 21 . TYR . 4715 1 22 . ASN . 4715 1 23 . ALA . 4715 1 24 . GLU . 4715 1 25 . GLN . 4715 1 26 . LYS . 4715 1 27 . THR . 4715 1 28 . LYS . 4715 1 29 . LEU . 4715 1 30 . HIS . 4715 1 31 . TYR . 4715 1 32 . PRO . 4715 1 33 . PRO . 4715 1 34 . SER . 4715 1 35 . GLY . 4715 1 36 . SER . 4715 1 37 . SER . 4715 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 . MET 1 1 4715 1 . GLY 2 2 4715 1 . GLY 3 3 4715 1 . ARG 4 4 4715 1 . LEU 5 5 4715 1 . PRO 6 6 4715 1 . PRO 7 7 4715 1 . GLY 8 8 4715 1 . TRP 9 9 4715 1 . GLU 10 10 4715 1 . ILE 11 11 4715 1 . ILE 12 12 4715 1 . HIS 13 13 4715 1 . GLU 14 14 4715 1 . ASN 15 15 4715 1 . GLY 16 16 4715 1 . ARG 17 17 4715 1 . PRO 18 18 4715 1 . LEU 19 19 4715 1 . TYR 20 20 4715 1 . TYR 21 21 4715 1 . ASN 22 22 4715 1 . ALA 23 23 4715 1 . GLU 24 24 4715 1 . GLN 25 25 4715 1 . LYS 26 26 4715 1 . THR 27 27 4715 1 . LYS 28 28 4715 1 . LEU 29 29 4715 1 . HIS 30 30 4715 1 . TYR 31 31 4715 1 . PRO 32 32 4715 1 . PRO 33 33 4715 1 . SER 34 34 4715 1 . GLY 35 35 4715 1 . SER 36 36 4715 1 . SER 37 37 4715 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 4715 _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 $YQJ8WW . 4932 . . 'Sacharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Sacharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4715 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 4715 _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 $YQJ8WW . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4715 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4715 _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 'WW domain' . . . 1 $YQJ8WW . . . 1 3 mM . . . . 4715 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 4715 _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 6.5 0.1 n/a 4715 1 temperature 285 0.1 K 4715 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 4715 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . save_ save_xeasy _Software.Sf_category software _Software.Sf_framecode xeasy _Software.Entry_ID 4715 _Software.ID 2 _Software.Name xeasy _Software.Version 1.3.13 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4715 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4715 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4715 _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_spectrometer1 Bruker DRX . 500 . . . 4715 1 2 NMR_spectrometer2 Bruker DRX . 600 . . . 4715 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 4715 _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 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4715 1 2 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4715 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4715 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4715 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4715 _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 . internal spherical parallel_to_Bo . . . . . . 4715 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_YQJ8_ww _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode YQJ8_ww _Assigned_chem_shift_list.Entry_ID 4715 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_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 . 4715 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 3 3 GLY H H 1 8.356 0.02 . 1 . . . . . . . . 4715 1 2 . 1 1 3 3 GLY HA2 H 1 3.716 0.02 . 1 . . . . . . . . 4715 1 3 . 1 1 3 3 GLY HA3 H 1 3.827 0.02 . 1 . . . . . . . . 4715 1 4 . 1 1 4 4 ARG H H 1 8.123 0.02 . 1 . . . . . . . . 4715 1 5 . 1 1 4 4 ARG HA H 1 4.207 0.02 . 1 . . . . . . . . 4715 1 6 . 1 1 4 4 ARG HB2 H 1 1.668 0.02 . 2 . . . . . . . . 4715 1 7 . 1 1 4 4 ARG HB3 H 1 1.575 0.02 . 2 . . . . . . . . 4715 1 8 . 1 1 4 4 ARG HG2 H 1 1.437 0.02 . 1 . . . . . . . . 4715 1 9 . 1 1 4 4 ARG HD2 H 1 3.018 0.02 . 1 . . . . . . . . 4715 1 10 . 1 1 5 5 LEU H H 1 8.407 0.02 . 1 . . . . . . . . 4715 1 11 . 1 1 5 5 LEU HA H 1 4.467 0.02 . 1 . . . . . . . . 4715 1 12 . 1 1 5 5 LEU HB2 H 1 1.589 0.02 . 2 . . . . . . . . 4715 1 13 . 1 1 5 5 LEU HB3 H 1 1.657 0.02 . 2 . . . . . . . . 4715 1 14 . 1 1 5 5 LEU HG H 1 1.285 0.02 . 1 . . . . . . . . 4715 1 15 . 1 1 5 5 LEU HD11 H 1 0.852 0.02 . 2 . . . . . . . . 4715 1 16 . 1 1 5 5 LEU HD12 H 1 0.852 0.02 . 2 . . . . . . . . 4715 1 17 . 1 1 5 5 LEU HD13 H 1 0.852 0.02 . 2 . . . . . . . . 4715 1 18 . 1 1 5 5 LEU HD21 H 1 0.723 0.02 . 2 . . . . . . . . 4715 1 19 . 1 1 5 5 LEU HD22 H 1 0.723 0.02 . 2 . . . . . . . . 4715 1 20 . 1 1 5 5 LEU HD23 H 1 0.723 0.02 . 2 . . . . . . . . 4715 1 21 . 1 1 6 6 PRO HA H 1 4.633 0.02 . 1 . . . . . . . . 4715 1 22 . 1 1 6 6 PRO HB2 H 1 1.799 0.02 . 1 . . . . . . . . 4715 1 23 . 1 1 6 6 PRO HB3 H 1 2.340 0.02 . 1 . . . . . . . . 4715 1 24 . 1 1 6 6 PRO HG2 H 1 1.573 0.02 . 1 . . . . . . . . 4715 1 25 . 1 1 6 6 PRO HG3 H 1 1.485 0.02 . 1 . . . . . . . . 4715 1 26 . 1 1 6 6 PRO HD2 H 1 3.572 0.02 . 1 . . . . . . . . 4715 1 27 . 1 1 6 6 PRO HD3 H 1 2.846 0.02 . 1 . . . . . . . . 4715 1 28 . 1 1 7 7 PRO HA H 1 4.244 0.02 . 1 . . . . . . . . 4715 1 29 . 1 1 7 7 PRO HB2 H 1 2.197 0.02 . 1 . . . . . . . . 4715 1 30 . 1 1 7 7 PRO HB3 H 1 1.743 0.02 . 1 . . . . . . . . 4715 1 31 . 1 1 7 7 PRO HG2 H 1 1.975 0.02 . 1 . . . . . . . . 4715 1 32 . 1 1 7 7 PRO HG3 H 1 1.882 0.02 . 1 . . . . . . . . 4715 1 33 . 1 1 7 7 PRO HD2 H 1 3.487 0.02 . 1 . . . . . . . . 4715 1 34 . 1 1 7 7 PRO HD3 H 1 3.724 0.02 . 1 . . . . . . . . 4715 1 35 . 1 1 8 8 GLY H H 1 8.649 0.02 . 1 . . . . . . . . 4715 1 36 . 1 1 8 8 GLY HA2 H 1 3.392 0.02 . 1 . . . . . . . . 4715 1 37 . 1 1 8 8 GLY HA3 H 1 3.952 0.02 . 1 . . . . . . . . 4715 1 38 . 1 1 9 9 TRP H H 1 7.343 0.02 . 1 . . . . . . . . 4715 1 39 . 1 1 9 9 TRP HA H 1 4.936 0.02 . 1 . . . . . . . . 4715 1 40 . 1 1 9 9 TRP HB2 H 1 3.043 0.02 . 1 . . . . . . . . 4715 1 41 . 1 1 9 9 TRP HB3 H 1 2.835 0.02 . 1 . . . . . . . . 4715 1 42 . 1 1 9 9 TRP HD1 H 1 6.893 0.02 . 1 . . . . . . . . 4715 1 43 . 1 1 9 9 TRP HE3 H 1 6.878 0.02 . 1 . . . . . . . . 4715 1 44 . 1 1 9 9 TRP HE1 H 1 10.518 0.02 . 1 . . . . . . . . 4715 1 45 . 1 1 9 9 TRP HZ3 H 1 7.171 0.02 . 1 . . . . . . . . 4715 1 46 . 1 1 9 9 TRP HZ2 H 1 7.347 0.02 . 1 . . . . . . . . 4715 1 47 . 1 1 9 9 TRP HH2 H 1 6.806 0.02 . 1 . . . . . . . . 4715 1 48 . 1 1 10 10 GLU H H 1 9.167 0.02 . 1 . . . . . . . . 4715 1 49 . 1 1 10 10 GLU HA H 1 4.712 0.02 . 1 . . . . . . . . 4715 1 50 . 1 1 10 10 GLU HB2 H 1 1.969 0.02 . 2 . . . . . . . . 4715 1 51 . 1 1 10 10 GLU HB3 H 1 1.874 0.02 . 2 . . . . . . . . 4715 1 52 . 1 1 10 10 GLU HG2 H 1 2.195 0.02 . 1 . . . . . . . . 4715 1 53 . 1 1 11 11 ILE H H 1 8.574 0.02 . 1 . . . . . . . . 4715 1 54 . 1 1 11 11 ILE HA H 1 4.535 0.02 . 1 . . . . . . . . 4715 1 55 . 1 1 11 11 ILE HB H 1 1.457 0.02 . 1 . . . . . . . . 4715 1 56 . 1 1 11 11 ILE HG21 H 1 0.353 0.02 . 1 . . . . . . . . 4715 1 57 . 1 1 11 11 ILE HG22 H 1 0.353 0.02 . 1 . . . . . . . . 4715 1 58 . 1 1 11 11 ILE HG23 H 1 0.353 0.02 . 1 . . . . . . . . 4715 1 59 . 1 1 11 11 ILE HG12 H 1 0.619 0.02 . 2 . . . . . . . . 4715 1 60 . 1 1 11 11 ILE HG13 H 1 0.516 0.02 . 2 . . . . . . . . 4715 1 61 . 1 1 11 11 ILE HD11 H 1 1.326 0.02 . 1 . . . . . . . . 4715 1 62 . 1 1 11 11 ILE HD12 H 1 1.326 0.02 . 1 . . . . . . . . 4715 1 63 . 1 1 11 11 ILE HD13 H 1 1.326 0.02 . 1 . . . . . . . . 4715 1 64 . 1 1 12 12 ILE H H 1 8.567 0.02 . 1 . . . . . . . . 4715 1 65 . 1 1 12 12 ILE HA H 1 4.428 0.02 . 1 . . . . . . . . 4715 1 66 . 1 1 12 12 ILE HB H 1 1.631 0.02 . 1 . . . . . . . . 4715 1 67 . 1 1 12 12 ILE HG21 H 1 0.620 0.02 . 1 . . . . . . . . 4715 1 68 . 1 1 12 12 ILE HG22 H 1 0.620 0.02 . 1 . . . . . . . . 4715 1 69 . 1 1 12 12 ILE HG23 H 1 0.620 0.02 . 1 . . . . . . . . 4715 1 70 . 1 1 12 12 ILE HG12 H 1 0.873 0.02 . 2 . . . . . . . . 4715 1 71 . 1 1 12 12 ILE HG13 H 1 0.620 0.02 . 2 . . . . . . . . 4715 1 72 . 1 1 12 12 ILE HD11 H 1 0.274 0.02 . 1 . . . . . . . . 4715 1 73 . 1 1 12 12 ILE HD12 H 1 0.274 0.02 . 1 . . . . . . . . 4715 1 74 . 1 1 12 12 ILE HD13 H 1 0.274 0.02 . 1 . . . . . . . . 4715 1 75 . 1 1 13 13 HIS H H 1 8.332 0.02 . 1 . . . . . . . . 4715 1 76 . 1 1 13 13 HIS HA H 1 4.962 0.02 . 1 . . . . . . . . 4715 1 77 . 1 1 13 13 HIS HB2 H 1 2.586 0.02 . 2 . . . . . . . . 4715 1 78 . 1 1 13 13 HIS HB3 H 1 2.492 0.02 . 2 . . . . . . . . 4715 1 79 . 1 1 13 13 HIS HD1 H 1 7.628 0.02 . 1 . . . . . . . . 4715 1 80 . 1 1 13 13 HIS HE1 H 1 6.407 0.02 . 1 . . . . . . . . 4715 1 81 . 1 1 14 14 GLU H H 1 8.473 0.02 . 1 . . . . . . . . 4715 1 82 . 1 1 14 14 GLU HA H 1 4.318 0.02 . 1 . . . . . . . . 4715 1 83 . 1 1 14 14 GLU HB2 H 1 1.656 0.02 . 1 . . . . . . . . 4715 1 84 . 1 1 14 14 GLU HB3 H 1 1.520 0.02 . 1 . . . . . . . . 4715 1 85 . 1 1 14 14 GLU HG3 H 1 1.862 0.02 . 1 . . . . . . . . 4715 1 86 . 1 1 15 15 ASN H H 1 9.494 0.02 . 1 . . . . . . . . 4715 1 87 . 1 1 15 15 ASN HA H 1 4.202 0.02 . 1 . . . . . . . . 4715 1 88 . 1 1 15 15 ASN HB2 H 1 2.869 0.02 . 2 . . . . . . . . 4715 1 89 . 1 1 15 15 ASN HB3 H 1 2.580 0.02 . 2 . . . . . . . . 4715 1 90 . 1 1 15 15 ASN HD21 H 1 7.515 0.02 . 2 . . . . . . . . 4715 1 91 . 1 1 15 15 ASN HD22 H 1 6.829 0.02 . 2 . . . . . . . . 4715 1 92 . 1 1 16 16 GLY H H 1 8.629 0.02 . 1 . . . . . . . . 4715 1 93 . 1 1 16 16 GLY HA2 H 1 3.971 0.02 . 1 . . . . . . . . 4715 1 94 . 1 1 16 16 GLY HA3 H 1 3.455 0.02 . 1 . . . . . . . . 4715 1 95 . 1 1 17 17 ARG H H 1 7.628 0.02 . 1 . . . . . . . . 4715 1 96 . 1 1 17 17 ARG HA H 1 4.788 0.02 . 1 . . . . . . . . 4715 1 97 . 1 1 17 17 ARG HB2 H 1 1.722 0.02 . 2 . . . . . . . . 4715 1 98 . 1 1 17 17 ARG HB3 H 1 1.613 0.02 . 2 . . . . . . . . 4715 1 99 . 1 1 17 17 ARG HG2 H 1 1.459 0.02 . 1 . . . . . . . . 4715 1 100 . 1 1 17 17 ARG HD2 H 1 3.029 0.02 . 1 . . . . . . . . 4715 1 101 . 1 1 18 18 PRO HA H 1 4.366 0.02 . 1 . . . . . . . . 4715 1 102 . 1 1 18 18 PRO HB2 H 1 1.560 0.02 . 2 . . . . . . . . 4715 1 103 . 1 1 18 18 PRO HB3 H 1 1.321 0.02 . 2 . . . . . . . . 4715 1 104 . 1 1 18 18 PRO HG2 H 1 1.964 0.02 . 2 . . . . . . . . 4715 1 105 . 1 1 18 18 PRO HG3 H 1 1.841 0.02 . 2 . . . . . . . . 4715 1 106 . 1 1 18 18 PRO HD2 H 1 3.680 0.02 . 2 . . . . . . . . 4715 1 107 . 1 1 18 18 PRO HD3 H 1 3.552 0.02 . 2 . . . . . . . . 4715 1 108 . 1 1 19 19 LEU H H 1 8.599 0.02 . 1 . . . . . . . . 4715 1 109 . 1 1 19 19 LEU HA H 1 4.242 0.02 . 1 . . . . . . . . 4715 1 110 . 1 1 19 19 LEU HB2 H 1 1.231 0.02 . 2 . . . . . . . . 4715 1 111 . 1 1 19 19 LEU HB3 H 1 1.131 0.02 . 2 . . . . . . . . 4715 1 112 . 1 1 19 19 LEU HG H 1 1.558 0.02 . 1 . . . . . . . . 4715 1 113 . 1 1 19 19 LEU HD11 H 1 0.478 0.02 . 2 . . . . . . . . 4715 1 114 . 1 1 19 19 LEU HD12 H 1 0.478 0.02 . 2 . . . . . . . . 4715 1 115 . 1 1 19 19 LEU HD13 H 1 0.478 0.02 . 2 . . . . . . . . 4715 1 116 . 1 1 19 19 LEU HD21 H 1 0.433 0.02 . 2 . . . . . . . . 4715 1 117 . 1 1 19 19 LEU HD22 H 1 0.433 0.02 . 2 . . . . . . . . 4715 1 118 . 1 1 19 19 LEU HD23 H 1 0.433 0.02 . 2 . . . . . . . . 4715 1 119 . 1 1 20 20 TYR H H 1 8.571 0.02 . 1 . . . . . . . . 4715 1 120 . 1 1 20 20 TYR HA H 1 4.790 0.02 . 1 . . . . . . . . 4715 1 121 . 1 1 20 20 TYR HB2 H 1 2.641 0.02 . 2 . . . . . . . . 4715 1 122 . 1 1 20 20 TYR HB3 H 1 2.591 0.02 . 2 . . . . . . . . 4715 1 123 . 1 1 20 20 TYR HD1 H 1 6.518 0.02 . 3 . . . . . . . . 4715 1 124 . 1 1 20 20 TYR HE1 H 1 6.425 0.02 . 3 . . . . . . . . 4715 1 125 . 1 1 21 21 TYR H H 1 9.583 0.02 . 1 . . . . . . . . 4715 1 126 . 1 1 21 21 TYR HA H 1 5.631 0.02 . 1 . . . . . . . . 4715 1 127 . 1 1 21 21 TYR HB2 H 1 2.538 0.02 . 1 . . . . . . . . 4715 1 128 . 1 1 21 21 TYR HD1 H 1 6.770 0.02 . 3 . . . . . . . . 4715 1 129 . 1 1 21 21 TYR HE1 H 1 6.374 0.02 . 3 . . . . . . . . 4715 1 130 . 1 1 22 22 ASN H H 1 7.846 0.02 . 1 . . . . . . . . 4715 1 131 . 1 1 22 22 ASN HA H 1 4.309 0.02 . 1 . . . . . . . . 4715 1 132 . 1 1 22 22 ASN HB3 H 1 1.425 0.02 . 1 . . . . . . . . 4715 1 133 . 1 1 22 22 ASN HD21 H 1 7.170 0.02 . 2 . . . . . . . . 4715 1 134 . 1 1 22 22 ASN HD22 H 1 6.478 0.02 . 2 . . . . . . . . 4715 1 135 . 1 1 23 23 ALA H H 1 8.047 0.02 . 1 . . . . . . . . 4715 1 136 . 1 1 23 23 ALA HA H 1 3.305 0.02 . 1 . . . . . . . . 4715 1 137 . 1 1 23 23 ALA HB1 H 1 1.081 0.02 . 1 . . . . . . . . 4715 1 138 . 1 1 23 23 ALA HB2 H 1 1.081 0.02 . 1 . . . . . . . . 4715 1 139 . 1 1 23 23 ALA HB3 H 1 1.081 0.02 . 1 . . . . . . . . 4715 1 140 . 1 1 24 24 GLU H H 1 8.266 0.02 . 1 . . . . . . . . 4715 1 141 . 1 1 24 24 GLU HA H 1 3.722 0.02 . 1 . . . . . . . . 4715 1 142 . 1 1 24 24 GLU HB2 H 1 1.918 0.02 . 2 . . . . . . . . 4715 1 143 . 1 1 24 24 GLU HB3 H 1 1.790 0.02 . 2 . . . . . . . . 4715 1 144 . 1 1 24 24 GLU HG2 H 1 2.037 0.02 . 2 . . . . . . . . 4715 1 145 . 1 1 25 25 GLN H H 1 7.688 0.02 . 1 . . . . . . . . 4715 1 146 . 1 1 25 25 GLN HA H 1 3.921 0.02 . 1 . . . . . . . . 4715 1 147 . 1 1 25 25 GLN HB2 H 1 1.064 0.02 . 1 . . . . . . . . 4715 1 148 . 1 1 25 25 GLN HG2 H 1 1.998 0.02 . 2 . . . . . . . . 4715 1 149 . 1 1 25 25 GLN HG3 H 1 1.941 0.02 . 2 . . . . . . . . 4715 1 150 . 1 1 25 25 GLN HE21 H 1 7.297 0.02 . 2 . . . . . . . . 4715 1 151 . 1 1 25 25 GLN HE22 H 1 6.694 0.02 . 2 . . . . . . . . 4715 1 152 . 1 1 26 26 LYS H H 1 7.841 0.02 . 1 . . . . . . . . 4715 1 153 . 1 1 26 26 LYS HA H 1 3.560 0.02 . 1 . . . . . . . . 4715 1 154 . 1 1 26 26 LYS HB2 H 1 1.907 0.02 . 2 . . . . . . . . 4715 1 155 . 1 1 26 26 LYS HB3 H 1 1.751 0.02 . 2 . . . . . . . . 4715 1 156 . 1 1 26 26 LYS HG2 H 1 1.796 0.02 . 2 . . . . . . . . 4715 1 157 . 1 1 26 26 LYS HD2 H 1 1.472 0.02 . 2 . . . . . . . . 4715 1 158 . 1 1 26 26 LYS HD3 H 1 1.169 0.02 . 2 . . . . . . . . 4715 1 159 . 1 1 26 26 LYS HE2 H 1 2.841 0.02 . 1 . . . . . . . . 4715 1 160 . 1 1 27 27 THR H H 1 7.177 0.02 . 1 . . . . . . . . 4715 1 161 . 1 1 27 27 THR HA H 1 4.414 0.02 . 1 . . . . . . . . 4715 1 162 . 1 1 27 27 THR HB H 1 4.245 0.02 . 1 . . . . . . . . 4715 1 163 . 1 1 27 27 THR HG21 H 1 1.135 0.02 . 1 . . . . . . . . 4715 1 164 . 1 1 27 27 THR HG22 H 1 1.135 0.02 . 1 . . . . . . . . 4715 1 165 . 1 1 27 27 THR HG23 H 1 1.135 0.02 . 1 . . . . . . . . 4715 1 166 . 1 1 28 28 LYS H H 1 8.570 0.02 . 1 . . . . . . . . 4715 1 167 . 1 1 28 28 LYS HA H 1 5.299 0.02 . 1 . . . . . . . . 4715 1 168 . 1 1 28 28 LYS HB2 H 1 1.552 0.02 . 2 . . . . . . . . 4715 1 169 . 1 1 28 28 LYS HB3 H 1 0.732 0.02 . 2 . . . . . . . . 4715 1 170 . 1 1 28 28 LYS HG2 H 1 1.267 0.02 . 2 . . . . . . . . 4715 1 171 . 1 1 28 28 LYS HG3 H 1 1.024 0.02 . 2 . . . . . . . . 4715 1 172 . 1 1 28 28 LYS HD2 H 1 1.379 0.02 . 2 . . . . . . . . 4715 1 173 . 1 1 28 28 LYS HD3 H 1 1.345 0.02 . 2 . . . . . . . . 4715 1 174 . 1 1 28 28 LYS HE2 H 1 2.532 0.02 . 2 . . . . . . . . 4715 1 175 . 1 1 28 28 LYS HE3 H 1 2.239 0.02 . 2 . . . . . . . . 4715 1 176 . 1 1 29 29 LEU H H 1 9.478 0.02 . 1 . . . . . . . . 4715 1 177 . 1 1 29 29 LEU HA H 1 4.724 0.02 . 1 . . . . . . . . 4715 1 178 . 1 1 29 29 LEU HB2 H 1 1.622 0.02 . 2 . . . . . . . . 4715 1 179 . 1 1 29 29 LEU HB3 H 1 1.531 0.02 . 2 . . . . . . . . 4715 1 180 . 1 1 29 29 LEU HG H 1 1.280 0.02 . 1 . . . . . . . . 4715 1 181 . 1 1 29 29 LEU HD11 H 1 0.478 0.02 . 2 . . . . . . . . 4715 1 182 . 1 1 29 29 LEU HD12 H 1 0.478 0.02 . 2 . . . . . . . . 4715 1 183 . 1 1 29 29 LEU HD13 H 1 0.478 0.02 . 2 . . . . . . . . 4715 1 184 . 1 1 29 29 LEU HD21 H 1 0.274 0.02 . 2 . . . . . . . . 4715 1 185 . 1 1 29 29 LEU HD22 H 1 0.274 0.02 . 2 . . . . . . . . 4715 1 186 . 1 1 29 29 LEU HD23 H 1 0.274 0.02 . 2 . . . . . . . . 4715 1 187 . 1 1 30 30 HIS H H 1 8.705 0.02 . 1 . . . . . . . . 4715 1 188 . 1 1 30 30 HIS HA H 1 4.526 0.02 . 1 . . . . . . . . 4715 1 189 . 1 1 30 30 HIS HB2 H 1 2.983 0.02 . 2 . . . . . . . . 4715 1 190 . 1 1 30 30 HIS HB3 H 1 2.854 0.02 . 2 . . . . . . . . 4715 1 191 . 1 1 30 30 HIS HD1 H 1 6.830 0.02 . 3 . . . . . . . . 4715 1 192 . 1 1 30 30 HIS HE1 H 1 6.744 0.02 . 3 . . . . . . . . 4715 1 193 . 1 1 31 31 TYR H H 1 7.033 0.02 . 1 . . . . . . . . 4715 1 194 . 1 1 31 31 TYR HA H 1 4.674 0.02 . 1 . . . . . . . . 4715 1 195 . 1 1 31 31 TYR HB2 H 1 2.560 0.02 . 2 . . . . . . . . 4715 1 196 . 1 1 31 31 TYR HB3 H 1 2.751 0.02 . 2 . . . . . . . . 4715 1 197 . 1 1 31 31 TYR HD1 H 1 6.751 0.02 . 3 . . . . . . . . 4715 1 198 . 1 1 31 31 TYR HE1 H 1 6.611 0.02 . 3 . . . . . . . . 4715 1 199 . 1 1 32 32 PRO HA H 1 3.309 0.02 . 1 . . . . . . . . 4715 1 200 . 1 1 32 32 PRO HB2 H 1 1.699 0.02 . 2 . . . . . . . . 4715 1 201 . 1 1 32 32 PRO HB3 H 1 1.478 0.02 . 2 . . . . . . . . 4715 1 202 . 1 1 32 32 PRO HG2 H 1 1.243 0.02 . 2 . . . . . . . . 4715 1 203 . 1 1 32 32 PRO HG3 H 1 1.368 0.02 . 2 . . . . . . . . 4715 1 204 . 1 1 32 32 PRO HD2 H 1 3.327 0.02 . 2 . . . . . . . . 4715 1 205 . 1 1 32 32 PRO HD3 H 1 3.290 0.02 . 2 . . . . . . . . 4715 1 206 . 1 1 33 33 PRO HA H 1 3.751 0.02 . 1 . . . . . . . . 4715 1 207 . 1 1 33 33 PRO HB2 H 1 0.714 0.02 . 1 . . . . . . . . 4715 1 208 . 1 1 33 33 PRO HG2 H 1 0.484 0.02 . 1 . . . . . . . . 4715 1 209 . 1 1 33 33 PRO HD2 H 1 1.013 0.02 . 2 . . . . . . . . 4715 1 210 . 1 1 33 33 PRO HD3 H 1 2.533 0.02 . 2 . . . . . . . . 4715 1 211 . 1 1 34 34 SER H H 1 8.115 0.02 . 1 . . . . . . . . 4715 1 212 . 1 1 34 34 SER HA H 1 4.075 0.02 . 1 . . . . . . . . 4715 1 213 . 1 1 34 34 SER HB2 H 1 3.580 0.02 . 2 . . . . . . . . 4715 1 214 . 1 1 34 34 SER HB3 H 1 3.630 0.02 . 2 . . . . . . . . 4715 1 215 . 1 1 35 35 GLY H H 1 8.390 0.02 . 1 . . . . . . . . 4715 1 216 . 1 1 35 35 GLY HA2 H 1 3.728 0.02 . 1 . . . . . . . . 4715 1 217 . 1 1 35 35 GLY HA3 H 1 3.878 0.02 . 1 . . . . . . . . 4715 1 218 . 1 1 36 36 SER H H 1 8.017 0.02 . 1 . . . . . . . . 4715 1 219 . 1 1 36 36 SER HA H 1 4.365 0.02 . 1 . . . . . . . . 4715 1 220 . 1 1 36 36 SER HB2 H 1 3.640 0.02 . 1 . . . . . . . . 4715 1 221 . 1 1 37 37 SER H H 1 8.020 0.02 . 1 . . . . . . . . 4715 1 222 . 1 1 37 37 SER HA H 1 4.113 0.02 . 1 . . . . . . . . 4715 1 223 . 1 1 37 37 SER HB2 H 1 3.662 0.02 . 1 . . . . . . . . 4715 1 stop_ save_