data_6296 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6296 _Entry.Title ; 1H Assigned Chemical Shifts for FMBP-1 tandem repeat 3 in 30% (v/v) TFE solution ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-08-26 _Entry.Accession_date 2004-08-26 _Entry.Last_release_date 2005-05-26 _Entry.Original_release_date 2005-05-26 _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 Takeshi Yamaki . . . 6296 2 Kyosuke Kawaguchi . . . 6296 3 Tomoyasu Aizawa . . . 6296 4 Shigeharu Takiya . . . 6296 5 Makoto Demura . . . 6296 6 Katsutoshi Nitta . . . 6296 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6296 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 166 6296 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 . . 2005-05-26 2004-08-26 original author . 6296 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6154 'tandem repeat 3 of FMBP-1 (residues 145-167)' 6296 BMRB 6155 'tandem repeat 4 of FMBP-1 (residues 168-190)' 6296 BMRB 6156 'tandem repeat 1 of FMBP-1 (residues 99-121)' 6296 BMRB 6157 'tandem repeat 2 of FMBP-1 (residues 122-144)' 6296 BMRB 6293 'tandem repeat 2 of FMBP-1 (residues 122-144) in 30% (v/v) TFE' 6296 BMRB 6294 'tandem repeat 4 of FMBP-1 (residues 168-190) in 30% (v/v) TFE' 6296 PDB 1WNK 'BMRB Entry Tracking System' 6296 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6296 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H Assigned Chemical Shifts for FMBP-1 tandem repeat 3 in 30% (v/v) TFE solution' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2005 _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 Takeshi Yamaki . . . 6296 1 2 Kyosuke Kawaguchi . . . 6296 1 3 Tomoyasu Aizawa . . . 6296 1 4 Shigeharu Takiya . . . 6296 1 5 Makoto Demura . . . 6296 1 6 Katsutoshi Nitta . . . 6296 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bombyx mori' 6296 1 'DNA binding' 6296 1 FMBP-1 6296 1 N-cap 6296 1 NMR 6296 1 'silk gland' 6296 1 'tandem repeat' 6296 1 transcription 6296 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FMBP-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FMBP-1 _Assembly.Entry_ID 6296 _Assembly.ID 1 _Assembly.Name 'tandem repeat 3 of fibroin-modulator-binding-protein-1(residues 145-167)' _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 6296 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 FMBP-1 1 $FMBP-1 . . . native . . . . . 6296 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 1WNK . . . . . . 6296 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID FMBP-1 abbreviation 6296 1 'tandem repeat 3 of fibroin-modulator-binding-protein-1(residues 145-167)' system 6296 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FMBP-1 _Entity.Sf_category entity _Entity.Sf_framecode FMBP-1 _Entity.Entry_ID 6296 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name fibroin-modulator-binding-protein-1 _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 ; ETREQRAIRLARMSAYAARR LAN ; _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 23 _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 2704 _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 BMRB 6154 . FMBP-1 . . . . . 100.00 23 100.00 100.00 1.36e-04 . . . . 6296 1 2 no PDB 1VD9 . "Solution Structure Of Fmbp-1 Tandem Repeat 3" . . . . . 100.00 23 100.00 100.00 1.36e-04 . . . . 6296 1 3 no PDB 1WNK . "Nmr Structure Of Fmbp-1 Tandem Repeat 3 In 30%(VV) TFE Solution" . . . . . 100.00 23 100.00 100.00 1.36e-04 . . . . 6296 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID fibroin-modulator-binding-protein-1 common 6296 1 FMBP-1 abbreviation 6296 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 . 6296 1 2 . THR . 6296 1 3 . ARG . 6296 1 4 . GLU . 6296 1 5 . GLN . 6296 1 6 . ARG . 6296 1 7 . ALA . 6296 1 8 . ILE . 6296 1 9 . ARG . 6296 1 10 . LEU . 6296 1 11 . ALA . 6296 1 12 . ARG . 6296 1 13 . MET . 6296 1 14 . SER . 6296 1 15 . ALA . 6296 1 16 . TYR . 6296 1 17 . ALA . 6296 1 18 . ALA . 6296 1 19 . ARG . 6296 1 20 . ARG . 6296 1 21 . LEU . 6296 1 22 . ALA . 6296 1 23 . ASN . 6296 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 6296 1 . THR 2 2 6296 1 . ARG 3 3 6296 1 . GLU 4 4 6296 1 . GLN 5 5 6296 1 . ARG 6 6 6296 1 . ALA 7 7 6296 1 . ILE 8 8 6296 1 . ARG 9 9 6296 1 . LEU 10 10 6296 1 . ALA 11 11 6296 1 . ARG 12 12 6296 1 . MET 13 13 6296 1 . SER 14 14 6296 1 . ALA 15 15 6296 1 . TYR 16 16 6296 1 . ALA 17 17 6296 1 . ALA 18 18 6296 1 . ARG 19 19 6296 1 . ARG 20 20 6296 1 . LEU 21 21 6296 1 . ALA 22 22 6296 1 . ASN 23 23 6296 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 6296 _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 $FMBP-1 . 7091 . . 'Bombyx mori' Silkworm . . Eukaryota Metazoa Bombyx mori . . . . . . . . . . . . . . . . . . . . . 6296 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 6296 _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 $FMBP-1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6296 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6296 _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 fibroin-modulator-binding-protein-1 . . . 1 $FMBP-1 . . 1.5 . . mM . . . . 6296 1 2 TFE . . . . . . . 30 . . '% (v/v)' . . . . 6296 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 6296 _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 3.2 0.2 pH 6296 1 temperature 293 0.1 K 6296 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6296 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw spectral data processing' 6296 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6296 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 6296 2 'peak picking' 6296 2 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 6296 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Jeol _NMR_spectrometer.Model ALPHA _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 6296 _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 Jeol ALPHA . 600 . . . 6296 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 6296 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6296 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6296 1 3 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6296 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 6296 _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 6296 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6296 _NMR_spec_expt.ID 3 _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 6296 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6296 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 6296 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . 6296 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 HA H 1 4.336 0.02 . 1 . . . . . . . . 6296 1 2 . 1 1 1 1 GLU HG2 H 1 2.4 0.02 . 2 . . . . . . . . 6296 1 3 . 1 1 1 1 GLU HB2 H 1 2.202 0.02 . 1 . . . . . . . . 6296 1 4 . 1 1 1 1 GLU HB3 H 1 2.202 0.02 . 1 . . . . . . . . 6296 1 5 . 1 1 1 1 GLU HG3 H 1 2.524 0.02 . 2 . . . . . . . . 6296 1 6 . 1 1 2 2 THR H H 1 8.91 0.02 . 1 . . . . . . . . 6296 1 7 . 1 1 2 2 THR HA H 1 4.647 0.02 . 1 . . . . . . . . 6296 1 8 . 1 1 2 2 THR HB H 1 4.799 0.02 . 1 . . . . . . . . 6296 1 9 . 1 1 2 2 THR HG21 H 1 1.372 0.02 . 1 . . . . . . . . 6296 1 10 . 1 1 2 2 THR HG22 H 1 1.372 0.02 . 1 . . . . . . . . 6296 1 11 . 1 1 2 2 THR HG23 H 1 1.372 0.02 . 1 . . . . . . . . 6296 1 12 . 1 1 3 3 ARG H H 1 9.052 0.02 . 1 . . . . . . . . 6296 1 13 . 1 1 3 3 ARG HA H 1 4.036 0.02 . 1 . . . . . . . . 6296 1 14 . 1 1 3 3 ARG HB2 H 1 1.943 0.02 . 2 . . . . . . . . 6296 1 15 . 1 1 3 3 ARG HG2 H 1 1.821 0.02 . 2 . . . . . . . . 6296 1 16 . 1 1 3 3 ARG HB3 H 1 1.893 0.02 . 2 . . . . . . . . 6296 1 17 . 1 1 3 3 ARG HD2 H 1 3.267 0.02 . 1 . . . . . . . . 6296 1 18 . 1 1 3 3 ARG HD3 H 1 3.267 0.02 . 1 . . . . . . . . 6296 1 19 . 1 1 3 3 ARG HG3 H 1 1.714 0.02 . 2 . . . . . . . . 6296 1 20 . 1 1 3 3 ARG HE H 1 7.25 0.02 . 1 . . . . . . . . 6296 1 21 . 1 1 4 4 GLU H H 1 8.457 0.02 . 1 . . . . . . . . 6296 1 22 . 1 1 4 4 GLU HA H 1 4.096 0.02 . 1 . . . . . . . . 6296 1 23 . 1 1 4 4 GLU HG2 H 1 2.548 0.02 . 2 . . . . . . . . 6296 1 24 . 1 1 4 4 GLU HB2 H 1 2.162 0.02 . 2 . . . . . . . . 6296 1 25 . 1 1 4 4 GLU HB3 H 1 1.992 0.02 . 2 . . . . . . . . 6296 1 26 . 1 1 4 4 GLU HG3 H 1 2.463 0.02 . 2 . . . . . . . . 6296 1 27 . 1 1 5 5 GLN H H 1 7.682 0.02 . 1 . . . . . . . . 6296 1 28 . 1 1 5 5 GLN HA H 1 3.936 0.02 . 1 . . . . . . . . 6296 1 29 . 1 1 5 5 GLN HB2 H 1 2.355 0.02 . 2 . . . . . . . . 6296 1 30 . 1 1 5 5 GLN HB3 H 1 2.078 0.02 . 2 . . . . . . . . 6296 1 31 . 1 1 5 5 GLN HG2 H 1 2.547 0.02 . 2 . . . . . . . . 6296 1 32 . 1 1 5 5 GLN HG3 H 1 2.453 0.02 . 2 . . . . . . . . 6296 1 33 . 1 1 5 5 GLN HE21 H 1 7.403 0.02 . 2 . . . . . . . . 6296 1 34 . 1 1 5 5 GLN HE22 H 1 6.862 0.02 . 2 . . . . . . . . 6296 1 35 . 1 1 6 6 ARG H H 1 8.296 0.02 . 1 . . . . . . . . 6296 1 36 . 1 1 6 6 ARG HA H 1 4.013 0.02 . 1 . . . . . . . . 6296 1 37 . 1 1 6 6 ARG HB2 H 1 1.966 0.02 . 2 . . . . . . . . 6296 1 38 . 1 1 6 6 ARG HG2 H 1 1.705 0.02 . 2 . . . . . . . . 6296 1 39 . 1 1 6 6 ARG HD2 H 1 3.211 0.02 . 1 . . . . . . . . 6296 1 40 . 1 1 6 6 ARG HB3 H 1 1.879 0.02 . 2 . . . . . . . . 6296 1 41 . 1 1 6 6 ARG HD3 H 1 3.211 0.02 . 1 . . . . . . . . 6296 1 42 . 1 1 6 6 ARG HG3 H 1 1.625 0.02 . 2 . . . . . . . . 6296 1 43 . 1 1 6 6 ARG HE H 1 7.36 0.02 . 1 . . . . . . . . 6296 1 44 . 1 1 7 7 ALA H H 1 8.114 0.02 . 1 . . . . . . . . 6296 1 45 . 1 1 7 7 ALA HA H 1 4.078 0.02 . 1 . . . . . . . . 6296 1 46 . 1 1 7 7 ALA HB1 H 1 1.562 0.02 . 1 . . . . . . . . 6296 1 47 . 1 1 7 7 ALA HB2 H 1 1.562 0.02 . 1 . . . . . . . . 6296 1 48 . 1 1 7 7 ALA HB3 H 1 1.562 0.02 . 1 . . . . . . . . 6296 1 49 . 1 1 8 8 ILE H H 1 8.063 0.02 . 1 . . . . . . . . 6296 1 50 . 1 1 8 8 ILE HA H 1 3.779 0.02 . 1 . . . . . . . . 6296 1 51 . 1 1 8 8 ILE HB H 1 1.924 0.02 . 1 . . . . . . . . 6296 1 52 . 1 1 8 8 ILE HG12 H 1 1.83 0.02 . 2 . . . . . . . . 6296 1 53 . 1 1 8 8 ILE HG13 H 1 1.188 0.02 . 2 . . . . . . . . 6296 1 54 . 1 1 8 8 ILE HG21 H 1 0.952 0.02 . 1 . . . . . . . . 6296 1 55 . 1 1 8 8 ILE HG22 H 1 0.952 0.02 . 1 . . . . . . . . 6296 1 56 . 1 1 8 8 ILE HG23 H 1 0.952 0.02 . 1 . . . . . . . . 6296 1 57 . 1 1 8 8 ILE HD11 H 1 0.877 0.02 . 1 . . . . . . . . 6296 1 58 . 1 1 8 8 ILE HD12 H 1 0.877 0.02 . 1 . . . . . . . . 6296 1 59 . 1 1 8 8 ILE HD13 H 1 0.877 0.02 . 1 . . . . . . . . 6296 1 60 . 1 1 9 9 ARG H H 1 8.049 0.02 . 1 . . . . . . . . 6296 1 61 . 1 1 9 9 ARG HA H 1 4.005 0.02 . 1 . . . . . . . . 6296 1 62 . 1 1 9 9 ARG HB2 H 1 2.09 0.02 . 2 . . . . . . . . 6296 1 63 . 1 1 9 9 ARG HG2 H 1 1.761 0.02 . 2 . . . . . . . . 6296 1 64 . 1 1 9 9 ARG HD2 H 1 3.297 0.02 . 2 . . . . . . . . 6296 1 65 . 1 1 9 9 ARG HB3 H 1 1.974 0.02 . 2 . . . . . . . . 6296 1 66 . 1 1 9 9 ARG HD3 H 1 3.21 0.02 . 2 . . . . . . . . 6296 1 67 . 1 1 9 9 ARG HG3 H 1 1.624 0.02 . 2 . . . . . . . . 6296 1 68 . 1 1 9 9 ARG HE H 1 8.233 0.02 . 1 . . . . . . . . 6296 1 69 . 1 1 10 10 LEU H H 1 8.517 0.02 . 1 . . . . . . . . 6296 1 70 . 1 1 10 10 LEU HA H 1 4.186 0.02 . 1 . . . . . . . . 6296 1 71 . 1 1 10 10 LEU HB2 H 1 1.892 0.02 . 1 . . . . . . . . 6296 1 72 . 1 1 10 10 LEU HB3 H 1 1.892 0.02 . 1 . . . . . . . . 6296 1 73 . 1 1 10 10 LEU HD11 H 1 0.919 0.02 . 1 . . . . . . . . 6296 1 74 . 1 1 10 10 LEU HD12 H 1 0.919 0.02 . 1 . . . . . . . . 6296 1 75 . 1 1 10 10 LEU HD13 H 1 0.919 0.02 . 1 . . . . . . . . 6296 1 76 . 1 1 10 10 LEU HD21 H 1 0.919 0.02 . 1 . . . . . . . . 6296 1 77 . 1 1 10 10 LEU HD22 H 1 0.919 0.02 . 1 . . . . . . . . 6296 1 78 . 1 1 10 10 LEU HD23 H 1 0.919 0.02 . 1 . . . . . . . . 6296 1 79 . 1 1 10 10 LEU HG H 1 1.621 0.02 . 1 . . . . . . . . 6296 1 80 . 1 1 11 11 ALA H H 1 8.4 0.02 . 1 . . . . . . . . 6296 1 81 . 1 1 11 11 ALA HA H 1 4.151 0.02 . 1 . . . . . . . . 6296 1 82 . 1 1 11 11 ALA HB1 H 1 1.598 0.02 . 1 . . . . . . . . 6296 1 83 . 1 1 11 11 ALA HB2 H 1 1.598 0.02 . 1 . . . . . . . . 6296 1 84 . 1 1 11 11 ALA HB3 H 1 1.598 0.02 . 1 . . . . . . . . 6296 1 85 . 1 1 12 12 ARG H H 1 8.473 0.02 . 1 . . . . . . . . 6296 1 86 . 1 1 12 12 ARG HA H 1 4.096 0.02 . 1 . . . . . . . . 6296 1 87 . 1 1 12 12 ARG HB2 H 1 2.042 0.02 . 2 . . . . . . . . 6296 1 88 . 1 1 12 12 ARG HB3 H 1 1.966 0.02 . 2 . . . . . . . . 6296 1 89 . 1 1 12 12 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 6296 1 90 . 1 1 12 12 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 6296 1 91 . 1 1 12 12 ARG HG2 H 1 1.696 0.02 . 1 . . . . . . . . 6296 1 92 . 1 1 12 12 ARG HG3 H 1 1.696 0.02 . 1 . . . . . . . . 6296 1 93 . 1 1 12 12 ARG HE H 1 7.076 0.02 . 1 . . . . . . . . 6296 1 94 . 1 1 13 13 MET H H 1 8.567 0.02 . 1 . . . . . . . . 6296 1 95 . 1 1 13 13 MET HA H 1 4.282 0.02 . 1 . . . . . . . . 6296 1 96 . 1 1 13 13 MET HG2 H 1 2.84 0.02 . 2 . . . . . . . . 6296 1 97 . 1 1 13 13 MET HB2 H 1 2.277 0.02 . 1 . . . . . . . . 6296 1 98 . 1 1 13 13 MET HB3 H 1 2.277 0.02 . 1 . . . . . . . . 6296 1 99 . 1 1 13 13 MET HG3 H 1 2.615 0.02 . 2 . . . . . . . . 6296 1 100 . 1 1 14 14 SER H H 1 8.383 0.02 . 1 . . . . . . . . 6296 1 101 . 1 1 14 14 SER HA H 1 4.282 0.02 . 1 . . . . . . . . 6296 1 102 . 1 1 14 14 SER HB2 H 1 4.115 0.02 . 2 . . . . . . . . 6296 1 103 . 1 1 14 14 SER HB3 H 1 4.009 0.02 . 2 . . . . . . . . 6296 1 104 . 1 1 15 15 ALA H H 1 7.97 0.02 . 1 . . . . . . . . 6296 1 105 . 1 1 15 15 ALA HA H 1 4.209 0.02 . 1 . . . . . . . . 6296 1 106 . 1 1 15 15 ALA HB1 H 1 1.536 0.02 . 1 . . . . . . . . 6296 1 107 . 1 1 15 15 ALA HB2 H 1 1.536 0.02 . 1 . . . . . . . . 6296 1 108 . 1 1 15 15 ALA HB3 H 1 1.536 0.02 . 1 . . . . . . . . 6296 1 109 . 1 1 16 16 TYR H H 1 8.115 0.02 . 1 . . . . . . . . 6296 1 110 . 1 1 16 16 TYR HA H 1 4.271 0.02 . 1 . . . . . . . . 6296 1 111 . 1 1 16 16 TYR HB2 H 1 3.207 0.02 . 1 . . . . . . . . 6296 1 112 . 1 1 16 16 TYR HB3 H 1 3.207 0.02 . 1 . . . . . . . . 6296 1 113 . 1 1 16 16 TYR HD2 H 1 7.164 0.02 . 1 . . . . . . . . 6296 1 114 . 1 1 16 16 TYR HD1 H 1 7.164 0.02 . 1 . . . . . . . . 6296 1 115 . 1 1 16 16 TYR HE1 H 1 6.83 0.02 . 1 . . . . . . . . 6296 1 116 . 1 1 16 16 TYR HE2 H 1 6.83 0.02 . 1 . . . . . . . . 6296 1 117 . 1 1 17 17 ALA H H 1 8.366 0.02 . 1 . . . . . . . . 6296 1 118 . 1 1 17 17 ALA HA H 1 4.036 0.02 . 1 . . . . . . . . 6296 1 119 . 1 1 17 17 ALA HB1 H 1 1.562 0.02 . 1 . . . . . . . . 6296 1 120 . 1 1 17 17 ALA HB2 H 1 1.562 0.02 . 1 . . . . . . . . 6296 1 121 . 1 1 17 17 ALA HB3 H 1 1.562 0.02 . 1 . . . . . . . . 6296 1 122 . 1 1 18 18 ALA H H 1 8.013 0.02 . 1 . . . . . . . . 6296 1 123 . 1 1 18 18 ALA HA H 1 4.157 0.02 . 1 . . . . . . . . 6296 1 124 . 1 1 18 18 ALA HB1 H 1 1.529 0.02 . 1 . . . . . . . . 6296 1 125 . 1 1 18 18 ALA HB2 H 1 1.529 0.02 . 1 . . . . . . . . 6296 1 126 . 1 1 18 18 ALA HB3 H 1 1.529 0.02 . 1 . . . . . . . . 6296 1 127 . 1 1 19 19 ARG H H 1 7.718 0.02 . 1 . . . . . . . . 6296 1 128 . 1 1 19 19 ARG HA H 1 4.185 0.02 . 1 . . . . . . . . 6296 1 129 . 1 1 19 19 ARG HB2 H 1 1.919 0.02 . 1 . . . . . . . . 6296 1 130 . 1 1 19 19 ARG HB3 H 1 1.919 0.02 . 1 . . . . . . . . 6296 1 131 . 1 1 19 19 ARG HD2 H 1 3.198 0.02 . 1 . . . . . . . . 6296 1 132 . 1 1 19 19 ARG HD3 H 1 3.198 0.02 . 1 . . . . . . . . 6296 1 133 . 1 1 19 19 ARG HG2 H 1 1.778 0.02 . 2 . . . . . . . . 6296 1 134 . 1 1 19 19 ARG HG3 H 1 1.722 0.02 . 2 . . . . . . . . 6296 1 135 . 1 1 19 19 ARG HE H 1 7.24 0.02 . 1 . . . . . . . . 6296 1 136 . 1 1 20 20 ARG H H 1 7.97 0.02 . 1 . . . . . . . . 6296 1 137 . 1 1 20 20 ARG HA H 1 4.209 0.02 . 1 . . . . . . . . 6296 1 138 . 1 1 20 20 ARG HB2 H 1 1.882 0.02 . 2 . . . . . . . . 6296 1 139 . 1 1 20 20 ARG HB3 H 1 1.783 0.02 . 2 . . . . . . . . 6296 1 140 . 1 1 20 20 ARG HD2 H 1 3.141 0.02 . 1 . . . . . . . . 6296 1 141 . 1 1 20 20 ARG HD3 H 1 3.141 0.02 . 1 . . . . . . . . 6296 1 142 . 1 1 20 20 ARG HG2 H 1 1.609 0.02 . 1 . . . . . . . . 6296 1 143 . 1 1 20 20 ARG HG3 H 1 1.609 0.02 . 1 . . . . . . . . 6296 1 144 . 1 1 20 20 ARG HE H 1 7.222 0.02 . 1 . . . . . . . . 6296 1 145 . 1 1 21 21 LEU H H 1 7.967 0.02 . 1 . . . . . . . . 6296 1 146 . 1 1 21 21 LEU HA H 1 4.336 0.02 . 1 . . . . . . . . 6296 1 147 . 1 1 21 21 LEU HB2 H 1 1.754 0.02 . 1 . . . . . . . . 6296 1 148 . 1 1 21 21 LEU HB3 H 1 1.754 0.02 . 1 . . . . . . . . 6296 1 149 . 1 1 21 21 LEU HD11 H 1 0.905 0.02 . 2 . . . . . . . . 6296 1 150 . 1 1 21 21 LEU HD12 H 1 0.905 0.02 . 2 . . . . . . . . 6296 1 151 . 1 1 21 21 LEU HD13 H 1 0.905 0.02 . 2 . . . . . . . . 6296 1 152 . 1 1 21 21 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 6296 1 153 . 1 1 21 21 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 6296 1 154 . 1 1 21 21 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 6296 1 155 . 1 1 21 21 LEU HG H 1 1.622 0.02 . 1 . . . . . . . . 6296 1 156 . 1 1 22 22 ALA H H 1 7.777 0.02 . 1 . . . . . . . . 6296 1 157 . 1 1 22 22 ALA HA H 1 4.336 0.02 . 1 . . . . . . . . 6296 1 158 . 1 1 22 22 ALA HB1 H 1 1.465 0.02 . 1 . . . . . . . . 6296 1 159 . 1 1 22 22 ALA HB2 H 1 1.465 0.02 . 1 . . . . . . . . 6296 1 160 . 1 1 22 22 ALA HB3 H 1 1.465 0.02 . 1 . . . . . . . . 6296 1 161 . 1 1 23 23 ASN H H 1 7.969 0.02 . 1 . . . . . . . . 6296 1 162 . 1 1 23 23 ASN HA H 1 4.692 0.02 . 1 . . . . . . . . 6296 1 163 . 1 1 23 23 ASN HB2 H 1 2.870 0.02 . 2 . . . . . . . . 6296 1 164 . 1 1 23 23 ASN HB3 H 1 2.813 0.02 . 2 . . . . . . . . 6296 1 165 . 1 1 23 23 ASN HD21 H 1 7.58 0.02 . 2 . . . . . . . . 6296 1 166 . 1 1 23 23 ASN HD22 H 1 6.794 0.02 . 2 . . . . . . . . 6296 1 stop_ save_