data_5699 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5699 _Entry.Title ; Structure of the N-terminal Extension of Human Aspartyl-tRNA Synthetase: Implications for its biological function ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-17 _Entry.Accession_date 2003-02-18 _Entry.Last_release_date 2003-08-07 _Entry.Original_release_date 2003-08-07 _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 Hae-Kap Cheong . . . 5699 2 Jin-Young Park . . . 5699 3 Eun-Hee Kim . . . 5699 4 Chulhyun Lee . . . 5699 5 Sunghoon Kim . . . 5699 6 Youngsoo Kim . . . 5699 7 Byong-Seok Choi . . . 5699 8 Chaejoon Cheong . . . 5699 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5699 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 146 5699 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 . . 2003-08-07 2003-02-17 original author . 5699 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5699 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22708093 _Citation.DOI . _Citation.PubMed_ID 12824064 _Citation.Full_citation . _Citation.Title ; Structure of the N-terminal Extension of Human Aspartyl-tRNA Synthetase: Implications for its Biological Function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Biochem. Cell Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 35 _Citation.Journal_issue 11 _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 1548 _Citation.Page_last 1557 _Citation.Year 2003 _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 Hae-Kap Cheong . . . 5699 1 2 Jin-Young Park . . . 5699 1 3 Eun-Hee Kim . . . 5699 1 4 Chulhyun Lee . . . 5699 1 5 Sunghoon Kim . . . 5699 1 6 Youngsoo Kim . . . 5699 1 7 Byong-Seok Choi . . . 5699 1 8 Chaejoon Cheong . . . 5699 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DRS 5699 1 'multi-synthetase complex' 5699 1 'NMR structure' 5699 1 'N-terminal extension' 5699 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DRS _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DRS _Assembly.Entry_ID 5699 _Assembly.ID 1 _Assembly.Name 'N-terminal extension of hDRS' _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 5699 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 'DRS monomer' 1 $DRS . . . native . . . . . 5699 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID DRS abbreviation 5699 1 'N-terminal extension of hDRS' system 5699 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DRS _Entity.Sf_category entity _Entity.Sf_framecode DRS _Entity.Entry_ID 5699 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Aspartyl-tRNA synthetase' _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 ; TQRKSQEKPREIMDAAEDYA K ; _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 21 _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 2015-01-28 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 4J15 . "Crystal Structure Of Human Cytosolic Aspartyl-trna Synthetase, A Component Of Multi-trna Synthetase Complex" . . . . . 90.48 521 100.00 100.00 1.36e-02 . . . . 5699 1 2 no DBJ BAD96196 . "aspartyl-tRNA synthetase variant [Homo sapiens]" . . . . . 90.48 501 100.00 100.00 1.39e-02 . . . . 5699 1 3 no DBJ BAE88534 . "unnamed protein product [Macaca fascicularis]" . . . . . 90.48 501 100.00 100.00 1.39e-02 . . . . 5699 1 4 no DBJ BAF83296 . "unnamed protein product [Homo sapiens]" . . . . . 90.48 501 100.00 100.00 1.39e-02 . . . . 5699 1 5 no EMBL CAH91575 . "hypothetical protein [Pongo abelii]" . . . . . 90.48 501 100.00 100.00 1.36e-02 . . . . 5699 1 6 no GB AAA35567 . "aspartyl-tRNA synthetase [Homo sapiens]" . . . . . 100.00 500 100.00 100.00 7.01e-04 . . . . 5699 1 7 no GB AAH00629 . "Aspartyl-tRNA synthetase [Homo sapiens]" . . . . . 90.48 501 100.00 100.00 1.39e-02 . . . . 5699 1 8 no GB AAI07750 . "Aspartyl-tRNA synthetase [Homo sapiens]" . . . . . 90.48 501 100.00 100.00 1.38e-02 . . . . 5699 1 9 no GB AAP35356 . "aspartyl-tRNA synthetase [Homo sapiens]" . . . . . 90.48 501 100.00 100.00 1.39e-02 . . . . 5699 1 10 no GB AAP36306 . "Homo sapiens aspartyl-tRNA synthetase [synthetic construct]" . . . . . 90.48 502 100.00 100.00 1.35e-02 . . . . 5699 1 11 no REF NP_001125925 . "aspartate--tRNA ligase, cytoplasmic [Pongo abelii]" . . . . . 90.48 501 100.00 100.00 1.36e-02 . . . . 5699 1 12 no REF NP_001340 . "aspartate--tRNA ligase, cytoplasmic isoform 1 [Homo sapiens]" . . . . . 90.48 501 100.00 100.00 1.39e-02 . . . . 5699 1 13 no REF XP_001095858 . "PREDICTED: aspartyl-tRNA synthetase, cytoplasmic [Macaca mulatta]" . . . . . 90.48 501 100.00 100.00 1.42e-02 . . . . 5699 1 14 no REF XP_001155169 . "PREDICTED: aspartate--tRNA ligase, cytoplasmic [Pan troglodytes]" . . . . . 90.48 501 100.00 100.00 1.42e-02 . . . . 5699 1 15 no REF XP_002712168 . "PREDICTED: aspartate--tRNA ligase, cytoplasmic [Oryctolagus cuniculus]" . . . . . 90.48 501 100.00 100.00 1.53e-02 . . . . 5699 1 16 no SP P14868 . "RecName: Full=Aspartate--tRNA ligase, cytoplasmic; AltName: Full=Aspartyl-tRNA synthetase; Short=AspRS; AltName: Full=Cell prol" . . . . . 90.48 501 100.00 100.00 1.39e-02 . . . . 5699 1 17 no SP Q5R9I5 . "RecName: Full=Aspartate--tRNA ligase, cytoplasmic; AltName: Full=Aspartyl-tRNA synthetase; Short=AspRS [Pongo abelii]" . . . . . 90.48 501 100.00 100.00 1.36e-02 . . . . 5699 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Aspartyl-tRNA synthetase' common 5699 1 DRS abbreviation 5699 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 . THR . 5699 1 2 . GLN . 5699 1 3 . ARG . 5699 1 4 . LYS . 5699 1 5 . SER . 5699 1 6 . GLN . 5699 1 7 . GLU . 5699 1 8 . LYS . 5699 1 9 . PRO . 5699 1 10 . ARG . 5699 1 11 . GLU . 5699 1 12 . ILE . 5699 1 13 . MET . 5699 1 14 . ASP . 5699 1 15 . ALA . 5699 1 16 . ALA . 5699 1 17 . GLU . 5699 1 18 . ASP . 5699 1 19 . TYR . 5699 1 20 . ALA . 5699 1 21 . LYS . 5699 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 . THR 1 1 5699 1 . GLN 2 2 5699 1 . ARG 3 3 5699 1 . LYS 4 4 5699 1 . SER 5 5 5699 1 . GLN 6 6 5699 1 . GLU 7 7 5699 1 . LYS 8 8 5699 1 . PRO 9 9 5699 1 . ARG 10 10 5699 1 . GLU 11 11 5699 1 . ILE 12 12 5699 1 . MET 13 13 5699 1 . ASP 14 14 5699 1 . ALA 15 15 5699 1 . ALA 16 16 5699 1 . GLU 17 17 5699 1 . ASP 18 18 5699 1 . TYR 19 19 5699 1 . ALA 20 20 5699 1 . LYS 21 21 5699 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 5699 _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 $DRS . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5699 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 5699 _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 $DRS . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5699 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5699 _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 'Aspartyl-tRNA synthetase' . . . 1 $DRS . . 2 . . mM . . . . 5699 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5699 _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 7.0 0.2 na 5699 1 temperature 298 1 K 5699 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 5699 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.1 _Software.Details . 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 5699 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 5699 _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 DMX . 600 . . . 5699 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 5699 _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 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5699 1 2 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5699 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5699 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 5699 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name DQF-COSY _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 5699 _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_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5699 _NMR_spec_expt.ID 3 _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_ #################### # 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 5699 _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 0.0 internal direct 1.0 . . . . . . . . . 5699 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5699 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 DQF-COSY 1 $sample_1 . 5699 1 2 NOESY 1 $sample_1 . 5699 1 3 TOCSY 1 $sample_1 . 5699 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 THR HA H 1 4.10 0.05 . 1 . . . . . . . . 5699 1 2 . 1 1 1 1 THR HB H 1 3.75 0.05 . 1 . . . . . . . . 5699 1 3 . 1 1 1 1 THR HG21 H 1 1.26 0.05 . 1 . . . . . . . . 5699 1 4 . 1 1 1 1 THR HG22 H 1 1.26 0.05 . 1 . . . . . . . . 5699 1 5 . 1 1 1 1 THR HG23 H 1 1.26 0.05 . 1 . . . . . . . . 5699 1 6 . 1 1 2 2 GLN HA H 1 4.38 0.05 . 1 . . . . . . . . 5699 1 7 . 1 1 2 2 GLN HB2 H 1 1.98 0.05 . 2 . . . . . . . . 5699 1 8 . 1 1 2 2 GLN HB3 H 1 2.10 0.05 . 2 . . . . . . . . 5699 1 9 . 1 1 2 2 GLN HG2 H 1 2.36 0.05 . 1 . . . . . . . . 5699 1 10 . 1 1 2 2 GLN HG3 H 1 2.36 0.05 . 1 . . . . . . . . 5699 1 11 . 1 1 3 3 ARG H H 1 8.43 0.05 . 1 . . . . . . . . 5699 1 12 . 1 1 3 3 ARG HA H 1 4.29 0.05 . 1 . . . . . . . . 5699 1 13 . 1 1 3 3 ARG HB2 H 1 1.72 0.05 . 2 . . . . . . . . 5699 1 14 . 1 1 3 3 ARG HB3 H 1 1.81 0.05 . 2 . . . . . . . . 5699 1 15 . 1 1 3 3 ARG HG2 H 1 1.60 0.05 . 1 . . . . . . . . 5699 1 16 . 1 1 3 3 ARG HG3 H 1 1.60 0.05 . 1 . . . . . . . . 5699 1 17 . 1 1 3 3 ARG HD2 H 1 3.15 0.05 . 1 . . . . . . . . 5699 1 18 . 1 1 3 3 ARG HD3 H 1 3.15 0.05 . 1 . . . . . . . . 5699 1 19 . 1 1 3 3 ARG HH11 H 1 7.29 0.05 . 2 . . . . . . . . 5699 1 20 . 1 1 3 3 ARG HH21 H 1 6.63 0.05 . 2 . . . . . . . . 5699 1 21 . 1 1 4 4 LYS H H 1 8.34 0.05 . 1 . . . . . . . . 5699 1 22 . 1 1 4 4 LYS HA H 1 4.30 0.05 . 1 . . . . . . . . 5699 1 23 . 1 1 4 4 LYS HB2 H 1 1.73 0.05 . 2 . . . . . . . . 5699 1 24 . 1 1 4 4 LYS HB3 H 1 1.81 0.05 . 2 . . . . . . . . 5699 1 25 . 1 1 4 4 LYS HG2 H 1 1.41 0.05 . 1 . . . . . . . . 5699 1 26 . 1 1 4 4 LYS HG3 H 1 1.41 0.05 . 1 . . . . . . . . 5699 1 27 . 1 1 4 4 LYS HD2 H 1 1.65 0.05 . 1 . . . . . . . . 5699 1 28 . 1 1 4 4 LYS HD3 H 1 1.65 0.05 . 1 . . . . . . . . 5699 1 29 . 1 1 4 4 LYS HE2 H 1 2.95 0.05 . 1 . . . . . . . . 5699 1 30 . 1 1 4 4 LYS HE3 H 1 2.95 0.05 . 1 . . . . . . . . 5699 1 31 . 1 1 5 5 SER H H 1 8.24 0.05 . 1 . . . . . . . . 5699 1 32 . 1 1 5 5 SER HA H 1 4.37 0.05 . 1 . . . . . . . . 5699 1 33 . 1 1 5 5 SER HB2 H 1 3.89 0.05 . 2 . . . . . . . . 5699 1 34 . 1 1 5 5 SER HB3 H 1 3.82 0.05 . 2 . . . . . . . . 5699 1 35 . 1 1 6 6 GLN H H 1 8.31 0.05 . 1 . . . . . . . . 5699 1 36 . 1 1 6 6 GLN HA H 1 4.32 0.05 . 1 . . . . . . . . 5699 1 37 . 1 1 6 6 GLN HB2 H 1 1.95 0.05 . 2 . . . . . . . . 5699 1 38 . 1 1 6 6 GLN HB3 H 1 2.11 0.05 . 2 . . . . . . . . 5699 1 39 . 1 1 6 6 GLN HG2 H 1 2.32 0.05 . 1 . . . . . . . . 5699 1 40 . 1 1 6 6 GLN HG3 H 1 2.32 0.05 . 1 . . . . . . . . 5699 1 41 . 1 1 7 7 GLU H H 1 8.27 0.05 . 1 . . . . . . . . 5699 1 42 . 1 1 7 7 GLU HA H 1 4.26 0.05 . 1 . . . . . . . . 5699 1 43 . 1 1 7 7 GLU HB2 H 1 1.90 0.05 . 2 . . . . . . . . 5699 1 44 . 1 1 7 7 GLU HB3 H 1 2.00 0.05 . 2 . . . . . . . . 5699 1 45 . 1 1 7 7 GLU HG2 H 1 2.23 0.05 . 1 . . . . . . . . 5699 1 46 . 1 1 7 7 GLU HG3 H 1 2.23 0.05 . 1 . . . . . . . . 5699 1 47 . 1 1 8 8 LYS H H 1 8.13 0.05 . 1 . . . . . . . . 5699 1 48 . 1 1 8 8 LYS HA H 1 4.56 0.05 . 1 . . . . . . . . 5699 1 49 . 1 1 8 8 LYS HB2 H 1 1.76 0.05 . 1 . . . . . . . . 5699 1 50 . 1 1 8 8 LYS HB3 H 1 1.76 0.05 . 1 . . . . . . . . 5699 1 51 . 1 1 8 8 LYS HG2 H 1 1.43 0.05 . 1 . . . . . . . . 5699 1 52 . 1 1 8 8 LYS HG3 H 1 1.43 0.05 . 1 . . . . . . . . 5699 1 53 . 1 1 8 8 LYS HD2 H 1 1.70 0.05 . 1 . . . . . . . . 5699 1 54 . 1 1 8 8 LYS HD3 H 1 1.70 0.05 . 1 . . . . . . . . 5699 1 55 . 1 1 8 8 LYS HE2 H 1 2.94 0.05 . 1 . . . . . . . . 5699 1 56 . 1 1 8 8 LYS HE3 H 1 2.94 0.05 . 1 . . . . . . . . 5699 1 57 . 1 1 9 9 PRO HA H 1 4.36 0.05 . 1 . . . . . . . . 5699 1 58 . 1 1 9 9 PRO HB2 H 1 1.89 0.05 . 2 . . . . . . . . 5699 1 59 . 1 1 9 9 PRO HB3 H 1 2.33 0.05 . 2 . . . . . . . . 5699 1 60 . 1 1 9 9 PRO HG2 H 1 1.98 0.05 . 2 . . . . . . . . 5699 1 61 . 1 1 9 9 PRO HG3 H 1 2.03 0.05 . 2 . . . . . . . . 5699 1 62 . 1 1 9 9 PRO HD2 H 1 3.54 0.05 . 2 . . . . . . . . 5699 1 63 . 1 1 9 9 PRO HD3 H 1 3.76 0.05 . 2 . . . . . . . . 5699 1 64 . 1 1 10 10 ARG H H 1 8.21 0.05 . 1 . . . . . . . . 5699 1 65 . 1 1 10 10 ARG HA H 1 4.13 0.05 . 1 . . . . . . . . 5699 1 66 . 1 1 10 10 ARG HB2 H 1 1.80 0.05 . 1 . . . . . . . . 5699 1 67 . 1 1 10 10 ARG HB3 H 1 1.80 0.05 . 1 . . . . . . . . 5699 1 68 . 1 1 10 10 ARG HG2 H 1 1.66 0.05 . 1 . . . . . . . . 5699 1 69 . 1 1 10 10 ARG HG3 H 1 1.66 0.05 . 1 . . . . . . . . 5699 1 70 . 1 1 10 10 ARG HD2 H 1 3.16 0.05 . 1 . . . . . . . . 5699 1 71 . 1 1 10 10 ARG HD3 H 1 3.16 0.05 . 1 . . . . . . . . 5699 1 72 . 1 1 10 10 ARG HH11 H 1 6.63 0.05 . 2 . . . . . . . . 5699 1 73 . 1 1 10 10 ARG HH21 H 1 7.32 0.05 . 2 . . . . . . . . 5699 1 74 . 1 1 11 11 GLU H H 1 8.74 0.05 . 1 . . . . . . . . 5699 1 75 . 1 1 11 11 GLU HA H 1 4.18 0.05 . 1 . . . . . . . . 5699 1 76 . 1 1 11 11 GLU HB2 H 1 1.95 0.05 . 1 . . . . . . . . 5699 1 77 . 1 1 11 11 GLU HB3 H 1 1.95 0.05 . 1 . . . . . . . . 5699 1 78 . 1 1 11 11 GLU HG2 H 1 2.27 0.05 . 1 . . . . . . . . 5699 1 79 . 1 1 11 11 GLU HG3 H 1 2.27 0.05 . 1 . . . . . . . . 5699 1 80 . 1 1 12 12 ILE H H 1 7.89 0.05 . 1 . . . . . . . . 5699 1 81 . 1 1 12 12 ILE HA H 1 4.02 0.05 . 1 . . . . . . . . 5699 1 82 . 1 1 12 12 ILE HB H 1 1.87 0.05 . 1 . . . . . . . . 5699 1 83 . 1 1 12 12 ILE HG12 H 1 1.16 0.05 . 2 . . . . . . . . 5699 1 84 . 1 1 12 12 ILE HG13 H 1 1.43 0.05 . 2 . . . . . . . . 5699 1 85 . 1 1 12 12 ILE HG21 H 1 0.86 0.05 . 1 . . . . . . . . 5699 1 86 . 1 1 12 12 ILE HG22 H 1 0.86 0.05 . 1 . . . . . . . . 5699 1 87 . 1 1 12 12 ILE HG23 H 1 0.86 0.05 . 1 . . . . . . . . 5699 1 88 . 1 1 12 12 ILE HD11 H 1 0.80 0.05 . 1 . . . . . . . . 5699 1 89 . 1 1 12 12 ILE HD12 H 1 0.80 0.05 . 1 . . . . . . . . 5699 1 90 . 1 1 12 12 ILE HD13 H 1 0.80 0.05 . 1 . . . . . . . . 5699 1 91 . 1 1 13 13 MET H H 1 7.94 0.05 . 1 . . . . . . . . 5699 1 92 . 1 1 13 13 MET HA H 1 4.31 0.05 . 1 . . . . . . . . 5699 1 93 . 1 1 13 13 MET HB2 H 1 2.07 0.05 . 1 . . . . . . . . 5699 1 94 . 1 1 13 13 MET HB3 H 1 2.07 0.05 . 1 . . . . . . . . 5699 1 95 . 1 1 13 13 MET HG2 H 1 2.46 0.05 . 2 . . . . . . . . 5699 1 96 . 1 1 13 13 MET HG3 H 1 2.56 0.05 . 2 . . . . . . . . 5699 1 97 . 1 1 13 13 MET HE1 H 1 2.00 0.05 . 1 . . . . . . . . 5699 1 98 . 1 1 13 13 MET HE2 H 1 2.00 0.05 . 1 . . . . . . . . 5699 1 99 . 1 1 13 13 MET HE3 H 1 2.00 0.05 . 1 . . . . . . . . 5699 1 100 . 1 1 14 14 ASP H H 1 8.16 0.05 . 1 . . . . . . . . 5699 1 101 . 1 1 14 14 ASP HA H 1 4.52 0.05 . 1 . . . . . . . . 5699 1 102 . 1 1 14 14 ASP HB2 H 1 2.66 0.05 . 1 . . . . . . . . 5699 1 103 . 1 1 14 14 ASP HB3 H 1 2.66 0.05 . 1 . . . . . . . . 5699 1 104 . 1 1 15 15 ALA H H 1 7.89 0.05 . 1 . . . . . . . . 5699 1 105 . 1 1 15 15 ALA HA H 1 4.23 0.05 . 1 . . . . . . . . 5699 1 106 . 1 1 15 15 ALA HB1 H 1 1.40 0.05 . 1 . . . . . . . . 5699 1 107 . 1 1 15 15 ALA HB2 H 1 1.40 0.05 . 1 . . . . . . . . 5699 1 108 . 1 1 15 15 ALA HB3 H 1 1.40 0.05 . 1 . . . . . . . . 5699 1 109 . 1 1 16 16 ALA H H 1 8.06 0.05 . 1 . . . . . . . . 5699 1 110 . 1 1 16 16 ALA HA H 1 4.16 0.05 . 1 . . . . . . . . 5699 1 111 . 1 1 16 16 ALA HB1 H 1 1.39 0.05 . 1 . . . . . . . . 5699 1 112 . 1 1 16 16 ALA HB2 H 1 1.39 0.05 . 1 . . . . . . . . 5699 1 113 . 1 1 16 16 ALA HB3 H 1 1.39 0.05 . 1 . . . . . . . . 5699 1 114 . 1 1 17 17 GLU H H 1 8.05 0.05 . 1 . . . . . . . . 5699 1 115 . 1 1 17 17 GLU HA H 1 4.12 0.05 . 1 . . . . . . . . 5699 1 116 . 1 1 17 17 GLU HB2 H 1 1.91 0.05 . 2 . . . . . . . . 5699 1 117 . 1 1 17 17 GLU HB3 H 1 1.97 0.05 . 2 . . . . . . . . 5699 1 118 . 1 1 17 17 GLU HG2 H 1 2.23 0.05 . 1 . . . . . . . . 5699 1 119 . 1 1 17 17 GLU HG3 H 1 2.23 0.05 . 1 . . . . . . . . 5699 1 120 . 1 1 18 18 ASP H H 1 8.01 0.05 . 1 . . . . . . . . 5699 1 121 . 1 1 18 18 ASP HA H 1 4.50 0.05 . 1 . . . . . . . . 5699 1 122 . 1 1 18 18 ASP HB2 H 1 2.55 0.05 . 1 . . . . . . . . 5699 1 123 . 1 1 18 18 ASP HB3 H 1 2.55 0.05 . 1 . . . . . . . . 5699 1 124 . 1 1 19 19 TYR H H 1 7.76 0.05 . 1 . . . . . . . . 5699 1 125 . 1 1 19 19 TYR HA H 1 4.45 0.05 . 1 . . . . . . . . 5699 1 126 . 1 1 19 19 TYR HB2 H 1 2.94 0.05 . 2 . . . . . . . . 5699 1 127 . 1 1 19 19 TYR HB3 H 1 3.07 0.05 . 2 . . . . . . . . 5699 1 128 . 1 1 19 19 TYR HD1 H 1 7.08 0.05 . 1 . . . . . . . . 5699 1 129 . 1 1 19 19 TYR HD2 H 1 7.08 0.05 . 1 . . . . . . . . 5699 1 130 . 1 1 19 19 TYR HE1 H 1 6.77 0.05 . 1 . . . . . . . . 5699 1 131 . 1 1 19 19 TYR HE2 H 1 6.77 0.05 . 1 . . . . . . . . 5699 1 132 . 1 1 20 20 ALA H H 1 7.83 0.05 . 1 . . . . . . . . 5699 1 133 . 1 1 20 20 ALA HA H 1 4.28 0.05 . 1 . . . . . . . . 5699 1 134 . 1 1 20 20 ALA HB1 H 1 1.32 0.05 . 1 . . . . . . . . 5699 1 135 . 1 1 20 20 ALA HB2 H 1 1.32 0.05 . 1 . . . . . . . . 5699 1 136 . 1 1 20 20 ALA HB3 H 1 1.32 0.05 . 1 . . . . . . . . 5699 1 137 . 1 1 21 21 LYS H H 1 7.48 0.05 . 1 . . . . . . . . 5699 1 138 . 1 1 21 21 LYS HA H 1 4.11 0.05 . 1 . . . . . . . . 5699 1 139 . 1 1 21 21 LYS HB2 H 1 1.79 0.05 . 1 . . . . . . . . 5699 1 140 . 1 1 21 21 LYS HB3 H 1 1.79 0.05 . 1 . . . . . . . . 5699 1 141 . 1 1 21 21 LYS HG2 H 1 1.37 0.05 . 1 . . . . . . . . 5699 1 142 . 1 1 21 21 LYS HG3 H 1 1.37 0.05 . 1 . . . . . . . . 5699 1 143 . 1 1 21 21 LYS HD2 H 1 1.65 0.05 . 1 . . . . . . . . 5699 1 144 . 1 1 21 21 LYS HD3 H 1 1.65 0.05 . 1 . . . . . . . . 5699 1 145 . 1 1 21 21 LYS HE2 H 1 2.95 0.05 . 1 . . . . . . . . 5699 1 146 . 1 1 21 21 LYS HE3 H 1 2.95 0.05 . 1 . . . . . . . . 5699 1 stop_ save_