data_5098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5098 _Entry.Title ; A Plant 4-kDa Peptide with Insulin-like Function ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-08-03 _Entry.Accession_date 2001-08-03 _Entry.Last_release_date 2003-05-14 _Entry.Original_release_date 2003-05-14 _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 Toshimasa Yamazaki . . . 5098 2 Motoko Takaoka . . . 5098 3 Etsuko Katoh . . . 5098 4 Kazuki Hanada . . . 5098 5 Masasshi Sakita . . . 5098 6 Kyoko Sakata . . . 5098 7 Yuji Nishiuchi . . . 5098 8 Hisashi Hirano . . . 5098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 235 5098 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 . . 2003-05-14 2001-08-03 original author . 5098 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5098 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22518519 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A Possible Physiological Function and the Tertiary Structure of a 4-kDa Peptide in Legumes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 270 _Citation.Journal_issue 6 _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 1269 _Citation.Page_last 1276 _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 Toshimasa Yamazaki . . . 5098 1 2 Motoko Takaoka . . . 5098 1 3 Etsuko Katoh . . . 5098 1 4 Kazuki Hanada . . . 5098 1 5 Masasshi Sakita . . . 5098 1 6 Kyoko Sakata . . . 5098 1 7 Yuji Nishiuchi . . . 5098 1 8 Hisashi Hirano . . . 5098 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Leginsulin 5098 1 NMR 5098 1 'plant hormone' 5098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_leginsulin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_leginsulin _Assembly.Entry_ID 5098 _Assembly.ID 1 _Assembly.Name leginsulin _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 'all disulfide bound' _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 5098 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 leginsulin 1 $leginsulin . . . native . . . . . 5098 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID leginsulin abbreviation 5098 1 leginsulin system 5098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_leginsulin _Entity.Sf_category entity _Entity.Sf_framecode leginsulin _Entity.Entry_ID 5098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name leginsulin _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 ; ADCNGACSPFEVPPCRSRDC RCVPIGLFVGFCIHPTG ; _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 'all disulfide bound' _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . EMBL CAA11040 . 'leginsulin [Glycine max]' . . . . . 100.00 119 100.00 100.00 5.64e-14 . . . . 5098 1 . . SWISS-PROT Q39837 . 'Albumin-1 precursor (A1) [Contains: Albumin-1 chain b (A1b) (Leginsulin); Albumin-1 chain a (A1a)]' . . . . . 100.00 119 100.00 100.00 5.83e-14 . . . . 5098 1 . . PDB 1JU8 . 'Solution Structure Of Leginsulin, A Plant Hormon' . . . . . 100.00 37 100.00 100.00 8.42e-13 . . . . 5098 1 . . DBJ BAA04219 . 'leginsulin precursor [Glycine max]' . . . . . 100.00 119 100.00 100.00 5.83e-14 . . . . 5098 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID leginsulin common 5098 1 'plant hormone' abbreviation 5098 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 . ALA . 5098 1 2 . ASP . 5098 1 3 . CYS . 5098 1 4 . ASN . 5098 1 5 . GLY . 5098 1 6 . ALA . 5098 1 7 . CYS . 5098 1 8 . SER . 5098 1 9 . PRO . 5098 1 10 . PHE . 5098 1 11 . GLU . 5098 1 12 . VAL . 5098 1 13 . PRO . 5098 1 14 . PRO . 5098 1 15 . CYS . 5098 1 16 . ARG . 5098 1 17 . SER . 5098 1 18 . ARG . 5098 1 19 . ASP . 5098 1 20 . CYS . 5098 1 21 . ARG . 5098 1 22 . CYS . 5098 1 23 . VAL . 5098 1 24 . PRO . 5098 1 25 . ILE . 5098 1 26 . GLY . 5098 1 27 . LEU . 5098 1 28 . PHE . 5098 1 29 . VAL . 5098 1 30 . GLY . 5098 1 31 . PHE . 5098 1 32 . CYS . 5098 1 33 . ILE . 5098 1 34 . HIS . 5098 1 35 . PRO . 5098 1 36 . THR . 5098 1 37 . GLY . 5098 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 . ALA 1 1 5098 1 . ASP 2 2 5098 1 . CYS 3 3 5098 1 . ASN 4 4 5098 1 . GLY 5 5 5098 1 . ALA 6 6 5098 1 . CYS 7 7 5098 1 . SER 8 8 5098 1 . PRO 9 9 5098 1 . PHE 10 10 5098 1 . GLU 11 11 5098 1 . VAL 12 12 5098 1 . PRO 13 13 5098 1 . PRO 14 14 5098 1 . CYS 15 15 5098 1 . ARG 16 16 5098 1 . SER 17 17 5098 1 . ARG 18 18 5098 1 . ASP 19 19 5098 1 . CYS 20 20 5098 1 . ARG 21 21 5098 1 . CYS 22 22 5098 1 . VAL 23 23 5098 1 . PRO 24 24 5098 1 . ILE 25 25 5098 1 . GLY 26 26 5098 1 . LEU 27 27 5098 1 . PHE 28 28 5098 1 . VAL 29 29 5098 1 . GLY 30 30 5098 1 . PHE 31 31 5098 1 . CYS 32 32 5098 1 . ILE 33 33 5098 1 . HIS 34 34 5098 1 . PRO 35 35 5098 1 . THR 36 36 5098 1 . GLY 37 37 5098 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 5098 _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 $leginsulin . 3847 . . 'Glycine max' Soybean . . Eukaryota Viridiplantae Glycine max . . . . . . . . . . . . . . . . . . . . . 5098 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 5098 _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 $leginsulin . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5098 _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 leginsulin . . . 1 $leginsulin . . 4 . . mM . . . . 5098 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 5098 _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 1.8 0.2 n/a 5098 1 temperature 298 1 K 5098 1 stop_ save_ ############################ # Computer software used # ############################ save_pipp _Software.Sf_category software _Software.Sf_framecode pipp _Software.Entry_ID 5098 _Software.ID 1 _Software.Name PIPP _Software.Version . _Software.Details . save_ save_pipe _Software.Sf_category software _Software.Sf_framecode pipe _Software.Entry_ID 5098 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _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 5098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5098 _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 . 750 . . . 5098 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 5098 _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 1H-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5098 1 2 1H-HOHAHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5098 1 3 1H-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5098 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 5098 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5098 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H-HOHAHA _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 5098 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H-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_ #################### # 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 5098 _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 external indirect 1.0 external spherical parallel . . . . . . 5098 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 5098 _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 $sample_1 . 5098 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 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 5098 1 2 . 1 1 1 1 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5098 1 3 . 1 1 1 1 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5098 1 4 . 1 1 1 1 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5098 1 5 . 1 1 2 2 ASP H H 1 8.69 0.02 . 1 . . . . . . . . 5098 1 6 . 1 1 2 2 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 5098 1 7 . 1 1 2 2 ASP HB2 H 1 2.85 0.02 . 1 . . . . . . . . 5098 1 8 . 1 1 2 2 ASP HB3 H 1 2.94 0.02 . 1 . . . . . . . . 5098 1 9 . 1 1 3 3 CYS H H 1 8.52 0.02 . 1 . . . . . . . . 5098 1 10 . 1 1 3 3 CYS HA H 1 4.72 0.02 . 1 . . . . . . . . 5098 1 11 . 1 1 3 3 CYS HB2 H 1 3.39 0.02 . 2 . . . . . . . . 5098 1 12 . 1 1 3 3 CYS HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5098 1 13 . 1 1 4 4 ASN H H 1 8.02 0.02 . 1 . . . . . . . . 5098 1 14 . 1 1 4 4 ASN HA H 1 4.95 0.02 . 1 . . . . . . . . 5098 1 15 . 1 1 4 4 ASN HB2 H 1 2.78 0.02 . 1 . . . . . . . . 5098 1 16 . 1 1 4 4 ASN HB3 H 1 2.78 0.02 . 1 . . . . . . . . 5098 1 17 . 1 1 4 4 ASN HD21 H 1 6.91 0.02 . 1 . . . . . . . . 5098 1 18 . 1 1 4 4 ASN HD22 H 1 7.52 0.02 . 1 . . . . . . . . 5098 1 19 . 1 1 5 5 GLY H H 1 8.47 0.02 . 1 . . . . . . . . 5098 1 20 . 1 1 5 5 GLY HA2 H 1 4.41 0.02 . 2 . . . . . . . . 5098 1 21 . 1 1 5 5 GLY HA3 H 1 3.88 0.02 . 2 . . . . . . . . 5098 1 22 . 1 1 6 6 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 5098 1 23 . 1 1 6 6 ALA HA H 1 4.93 0.02 . 1 . . . . . . . . 5098 1 24 . 1 1 6 6 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 5098 1 25 . 1 1 6 6 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5098 1 26 . 1 1 6 6 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5098 1 27 . 1 1 7 7 CYS H H 1 8.19 0.02 . 1 . . . . . . . . 5098 1 28 . 1 1 7 7 CYS HA H 1 4.98 0.02 . 1 . . . . . . . . 5098 1 29 . 1 1 7 7 CYS HB2 H 1 3.52 0.02 . 1 . . . . . . . . 5098 1 30 . 1 1 7 7 CYS HB3 H 1 2.93 0.02 . 1 . . . . . . . . 5098 1 31 . 1 1 8 8 SER H H 1 8.44 0.02 . 1 . . . . . . . . 5098 1 32 . 1 1 8 8 SER HA H 1 5.08 0.02 . 1 . . . . . . . . 5098 1 33 . 1 1 8 8 SER HB2 H 1 3.71 0.02 . 1 . . . . . . . . 5098 1 34 . 1 1 8 8 SER HB3 H 1 4.07 0.02 . 1 . . . . . . . . 5098 1 35 . 1 1 9 9 PRO HA H 1 4.15 0.02 . 1 . . . . . . . . 5098 1 36 . 1 1 9 9 PRO HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5098 1 37 . 1 1 9 9 PRO HB3 H 1 1.39 0.02 . 1 . . . . . . . . 5098 1 38 . 1 1 9 9 PRO HG2 H 1 1.62 0.02 . 1 . . . . . . . . 5098 1 39 . 1 1 9 9 PRO HG3 H 1 1.59 0.02 . 1 . . . . . . . . 5098 1 40 . 1 1 9 9 PRO HD2 H 1 3.58 0.02 . 1 . . . . . . . . 5098 1 41 . 1 1 9 9 PRO HD3 H 1 3.58 0.02 . 1 . . . . . . . . 5098 1 42 . 1 1 10 10 PHE H H 1 7.49 0.02 . 1 . . . . . . . . 5098 1 43 . 1 1 10 10 PHE HA H 1 4.59 0.02 . 1 . . . . . . . . 5098 1 44 . 1 1 10 10 PHE HB2 H 1 2.77 0.02 . 1 . . . . . . . . 5098 1 45 . 1 1 10 10 PHE HB3 H 1 3.41 0.02 . 1 . . . . . . . . 5098 1 46 . 1 1 10 10 PHE HD1 H 1 7.24 0.02 . 1 . . . . . . . . 5098 1 47 . 1 1 10 10 PHE HD2 H 1 7.24 0.02 . 1 . . . . . . . . 5098 1 48 . 1 1 10 10 PHE HE1 H 1 7.35 0.02 . 1 . . . . . . . . 5098 1 49 . 1 1 10 10 PHE HE2 H 1 7.35 0.02 . 1 . . . . . . . . 5098 1 50 . 1 1 11 11 GLU H H 1 7.36 0.02 . 1 . . . . . . . . 5098 1 51 . 1 1 11 11 GLU HA H 1 4.44 0.02 . 1 . . . . . . . . 5098 1 52 . 1 1 11 11 GLU HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5098 1 53 . 1 1 11 11 GLU HB3 H 1 2.14 0.02 . 1 . . . . . . . . 5098 1 54 . 1 1 11 11 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 5098 1 55 . 1 1 11 11 GLU HG3 H 1 2.49 0.02 . 1 . . . . . . . . 5098 1 56 . 1 1 12 12 VAL H H 1 8.17 0.02 . 1 . . . . . . . . 5098 1 57 . 1 1 12 12 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 5098 1 58 . 1 1 12 12 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5098 1 59 . 1 1 12 12 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . 5098 1 60 . 1 1 12 12 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . 5098 1 61 . 1 1 12 12 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . 5098 1 62 . 1 1 12 12 VAL HG21 H 1 0.90 0.02 . 1 . . . . . . . . 5098 1 63 . 1 1 12 12 VAL HG22 H 1 0.90 0.02 . 1 . . . . . . . . 5098 1 64 . 1 1 12 12 VAL HG23 H 1 0.90 0.02 . 1 . . . . . . . . 5098 1 65 . 1 1 13 13 PRO HA H 1 5.06 0.02 . 1 . . . . . . . . 5098 1 66 . 1 1 13 13 PRO HB2 H 1 2.37 0.02 . 1 . . . . . . . . 5098 1 67 . 1 1 13 13 PRO HB3 H 1 2.12 0.02 . 1 . . . . . . . . 5098 1 68 . 1 1 13 13 PRO HG2 H 1 1.77 0.02 . 1 . . . . . . . . 5098 1 69 . 1 1 13 13 PRO HG3 H 1 1.91 0.02 . 1 . . . . . . . . 5098 1 70 . 1 1 13 13 PRO HD2 H 1 3.59 0.02 . 1 . . . . . . . . 5098 1 71 . 1 1 13 13 PRO HD3 H 1 3.53 0.02 . 1 . . . . . . . . 5098 1 72 . 1 1 14 14 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 5098 1 73 . 1 1 14 14 PRO HB2 H 1 2.42 0.02 . 1 . . . . . . . . 5098 1 74 . 1 1 14 14 PRO HB3 H 1 1.83 0.02 . 1 . . . . . . . . 5098 1 75 . 1 1 14 14 PRO HG2 H 1 2.19 0.02 . 1 . . . . . . . . 5098 1 76 . 1 1 14 14 PRO HG3 H 1 2.05 0.02 . 1 . . . . . . . . 5098 1 77 . 1 1 14 14 PRO HD2 H 1 3.89 0.02 . 1 . . . . . . . . 5098 1 78 . 1 1 14 14 PRO HD3 H 1 3.78 0.02 . 1 . . . . . . . . 5098 1 79 . 1 1 15 15 CYS H H 1 8.03 0.02 . 1 . . . . . . . . 5098 1 80 . 1 1 15 15 CYS HA H 1 4.52 0.02 . 1 . . . . . . . . 5098 1 81 . 1 1 15 15 CYS HB2 H 1 3.40 0.02 . 1 . . . . . . . . 5098 1 82 . 1 1 15 15 CYS HB3 H 1 3.13 0.02 . 1 . . . . . . . . 5098 1 83 . 1 1 16 16 ARG H H 1 8.35 0.02 . 1 . . . . . . . . 5098 1 84 . 1 1 16 16 ARG HA H 1 3.84 0.02 . 1 . . . . . . . . 5098 1 85 . 1 1 16 16 ARG HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5098 1 86 . 1 1 16 16 ARG HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5098 1 87 . 1 1 16 16 ARG HG2 H 1 1.67 0.02 . 1 . . . . . . . . 5098 1 88 . 1 1 16 16 ARG HG3 H 1 1.67 0.02 . 1 . . . . . . . . 5098 1 89 . 1 1 16 16 ARG HD2 H 1 3.24 0.02 . 2 . . . . . . . . 5098 1 90 . 1 1 16 16 ARG HD3 H 1 2.0 0.02 . 2 . . . . . . . . 5098 1 91 . 1 1 16 16 ARG HH11 H 1 7.21 0.02 . 1 . . . . . . . . 5098 1 92 . 1 1 16 16 ARG HH12 H 1 7.21 0.02 . 1 . . . . . . . . 5098 1 93 . 1 1 17 17 SER H H 1 7.43 0.02 . 1 . . . . . . . . 5098 1 94 . 1 1 17 17 SER HA H 1 4.71 0.02 . 1 . . . . . . . . 5098 1 95 . 1 1 17 17 SER HB2 H 1 3.70 0.02 . 1 . . . . . . . . 5098 1 96 . 1 1 17 17 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 5098 1 97 . 1 1 18 18 ARG H H 1 8.66 0.02 . 1 . . . . . . . . 5098 1 98 . 1 1 18 18 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 5098 1 99 . 1 1 18 18 ARG HB2 H 1 1.86 0.02 . 1 . . . . . . . . 5098 1 100 . 1 1 18 18 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5098 1 101 . 1 1 18 18 ARG HG2 H 1 1.86 0.02 . 1 . . . . . . . . 5098 1 102 . 1 1 18 18 ARG HG3 H 1 1.73 0.02 . 1 . . . . . . . . 5098 1 103 . 1 1 18 18 ARG HD2 H 1 3.25 0.02 . 1 . . . . . . . . 5098 1 104 . 1 1 18 18 ARG HD3 H 1 3.25 0.02 . 1 . . . . . . . . 5098 1 105 . 1 1 18 18 ARG HH11 H 1 7.23 0.02 . 1 . . . . . . . . 5098 1 106 . 1 1 18 18 ARG HH12 H 1 7.23 0.02 . 1 . . . . . . . . 5098 1 107 . 1 1 19 19 ASP H H 1 8.50 0.02 . 1 . . . . . . . . 5098 1 108 . 1 1 19 19 ASP HA H 1 4.72 0.02 . 1 . . . . . . . . 5098 1 109 . 1 1 19 19 ASP HB2 H 1 2.75 0.02 . 1 . . . . . . . . 5098 1 110 . 1 1 19 19 ASP HB3 H 1 2.96 0.02 . 1 . . . . . . . . 5098 1 111 . 1 1 20 20 CYS H H 1 7.52 0.02 . 1 . . . . . . . . 5098 1 112 . 1 1 20 20 CYS HA H 1 5.23 0.02 . 1 . . . . . . . . 5098 1 113 . 1 1 20 20 CYS HB2 H 1 2.93 0.02 . 1 . . . . . . . . 5098 1 114 . 1 1 20 20 CYS HB3 H 1 2.78 0.02 . 1 . . . . . . . . 5098 1 115 . 1 1 21 21 ARG H H 1 9.04 0.02 . 1 . . . . . . . . 5098 1 116 . 1 1 21 21 ARG HA H 1 4.62 0.02 . 1 . . . . . . . . 5098 1 117 . 1 1 21 21 ARG HB2 H 1 1.62 0.02 . 1 . . . . . . . . 5098 1 118 . 1 1 21 21 ARG HB3 H 1 1.70 0.02 . 1 . . . . . . . . 5098 1 119 . 1 1 21 21 ARG HG2 H 1 1.62 0.02 . 2 . . . . . . . . 5098 1 120 . 1 1 21 21 ARG HG3 H 1 1.45 0.02 . 2 . . . . . . . . 5098 1 121 . 1 1 21 21 ARG HD2 H 1 3.14 0.02 . 2 . . . . . . . . 5098 1 122 . 1 1 21 21 ARG HD3 H 1 3.20 0.02 . 2 . . . . . . . . 5098 1 123 . 1 1 21 21 ARG HH11 H 1 7.24 0.02 . 1 . . . . . . . . 5098 1 124 . 1 1 21 21 ARG HH12 H 1 7.24 0.02 . 1 . . . . . . . . 5098 1 125 . 1 1 22 22 CYS H H 1 8.82 0.02 . 1 . . . . . . . . 5098 1 126 . 1 1 22 22 CYS HA H 1 4.86 0.02 . 1 . . . . . . . . 5098 1 127 . 1 1 22 22 CYS HB2 H 1 2.90 0.02 . 1 . . . . . . . . 5098 1 128 . 1 1 22 22 CYS HB3 H 1 2.70 0.02 . 1 . . . . . . . . 5098 1 129 . 1 1 23 23 VAL H H 1 9.13 0.02 . 1 . . . . . . . . 5098 1 130 . 1 1 23 23 VAL HA H 1 4.26 0.02 . 1 . . . . . . . . 5098 1 131 . 1 1 23 23 VAL HB H 1 1.45 0.02 . 1 . . . . . . . . 5098 1 132 . 1 1 23 23 VAL HG11 H 1 0.76 0.02 . 1 . . . . . . . . 5098 1 133 . 1 1 23 23 VAL HG12 H 1 0.76 0.02 . 1 . . . . . . . . 5098 1 134 . 1 1 23 23 VAL HG13 H 1 0.76 0.02 . 1 . . . . . . . . 5098 1 135 . 1 1 23 23 VAL HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5098 1 136 . 1 1 23 23 VAL HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5098 1 137 . 1 1 23 23 VAL HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5098 1 138 . 1 1 24 24 PRO HA H 1 4.52 0.02 . 1 . . . . . . . . 5098 1 139 . 1 1 24 24 PRO HB2 H 1 2.23 0.02 . 1 . . . . . . . . 5098 1 140 . 1 1 24 24 PRO HB3 H 1 1.99 0.02 . 1 . . . . . . . . 5098 1 141 . 1 1 24 24 PRO HG2 H 1 1.80 0.02 . 1 . . . . . . . . 5098 1 142 . 1 1 24 24 PRO HG3 H 1 2.12 0.02 . 1 . . . . . . . . 5098 1 143 . 1 1 24 24 PRO HD2 H 1 4.01 0.02 . 1 . . . . . . . . 5098 1 144 . 1 1 24 24 PRO HD3 H 1 3.67 0.02 . 1 . . . . . . . . 5098 1 145 . 1 1 25 25 ILE H H 1 8.89 0.02 . 1 . . . . . . . . 5098 1 146 . 1 1 25 25 ILE HA H 1 4.53 0.02 . 1 . . . . . . . . 5098 1 147 . 1 1 25 25 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 5098 1 148 . 1 1 25 25 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 5098 1 149 . 1 1 25 25 ILE HG13 H 1 1.07 0.02 . 2 . . . . . . . . 5098 1 150 . 1 1 25 25 ILE HG21 H 1 1.00 0.02 . 1 . . . . . . . . 5098 1 151 . 1 1 25 25 ILE HG22 H 1 1.00 0.02 . 1 . . . . . . . . 5098 1 152 . 1 1 25 25 ILE HG23 H 1 1.00 0.02 . 1 . . . . . . . . 5098 1 153 . 1 1 25 25 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 5098 1 154 . 1 1 25 25 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 5098 1 155 . 1 1 25 25 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 5098 1 156 . 1 1 26 26 GLY H H 1 7.99 0.02 . 1 . . . . . . . . 5098 1 157 . 1 1 26 26 GLY HA2 H 1 4.12 0.02 . 2 . . . . . . . . 5098 1 158 . 1 1 26 26 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 5098 1 159 . 1 1 27 27 LEU H H 1 8.21 0.02 . 1 . . . . . . . . 5098 1 160 . 1 1 27 27 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 5098 1 161 . 1 1 27 27 LEU HB2 H 1 1.23 0.02 . 1 . . . . . . . . 5098 1 162 . 1 1 27 27 LEU HB3 H 1 1.03 0.02 . 1 . . . . . . . . 5098 1 163 . 1 1 27 27 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 5098 1 164 . 1 1 27 27 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 5098 1 165 . 1 1 27 27 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 5098 1 166 . 1 1 27 27 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 5098 1 167 . 1 1 27 27 LEU HD21 H 1 0.72 0.02 . 2 . . . . . . . . 5098 1 168 . 1 1 27 27 LEU HD22 H 1 0.72 0.02 . 2 . . . . . . . . 5098 1 169 . 1 1 27 27 LEU HD23 H 1 0.72 0.02 . 2 . . . . . . . . 5098 1 170 . 1 1 28 28 PHE H H 1 8.30 0.02 . 1 . . . . . . . . 5098 1 171 . 1 1 28 28 PHE HA H 1 4.80 0.02 . 1 . . . . . . . . 5098 1 172 . 1 1 28 28 PHE HB2 H 1 3.53 0.02 . 1 . . . . . . . . 5098 1 173 . 1 1 28 28 PHE HB3 H 1 3.04 0.02 . 1 . . . . . . . . 5098 1 174 . 1 1 28 28 PHE HD1 H 1 7.30 0.02 . 1 . . . . . . . . 5098 1 175 . 1 1 28 28 PHE HD2 H 1 7.30 0.02 . 1 . . . . . . . . 5098 1 176 . 1 1 28 28 PHE HE1 H 1 7.32 0.02 . 1 . . . . . . . . 5098 1 177 . 1 1 28 28 PHE HE2 H 1 7.32 0.02 . 1 . . . . . . . . 5098 1 178 . 1 1 29 29 VAL H H 1 7.29 0.02 . 1 . . . . . . . . 5098 1 179 . 1 1 29 29 VAL HA H 1 4.85 0.02 . 1 . . . . . . . . 5098 1 180 . 1 1 29 29 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5098 1 181 . 1 1 29 29 VAL HG11 H 1 0.16 0.02 . 1 . . . . . . . . 5098 1 182 . 1 1 29 29 VAL HG12 H 1 0.16 0.02 . 1 . . . . . . . . 5098 1 183 . 1 1 29 29 VAL HG13 H 1 0.16 0.02 . 1 . . . . . . . . 5098 1 184 . 1 1 29 29 VAL HG21 H 1 1.05 0.02 . 1 . . . . . . . . 5098 1 185 . 1 1 29 29 VAL HG22 H 1 1.05 0.02 . 1 . . . . . . . . 5098 1 186 . 1 1 29 29 VAL HG23 H 1 1.05 0.02 . 1 . . . . . . . . 5098 1 187 . 1 1 30 30 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 5098 1 188 . 1 1 30 30 GLY HA2 H 1 3.82 0.02 . 1 . . . . . . . . 5098 1 189 . 1 1 30 30 GLY HA3 H 1 4.75 0.02 . 1 . . . . . . . . 5098 1 190 . 1 1 31 31 PHE H H 1 8.51 0.02 . 1 . . . . . . . . 5098 1 191 . 1 1 31 31 PHE HA H 1 5.40 0.02 . 1 . . . . . . . . 5098 1 192 . 1 1 31 31 PHE HB2 H 1 2.98 0.02 . 1 . . . . . . . . 5098 1 193 . 1 1 31 31 PHE HB3 H 1 2.98 0.02 . 1 . . . . . . . . 5098 1 194 . 1 1 31 31 PHE HD1 H 1 7.08 0.02 . 1 . . . . . . . . 5098 1 195 . 1 1 31 31 PHE HD2 H 1 7.08 0.02 . 1 . . . . . . . . 5098 1 196 . 1 1 31 31 PHE HE1 H 1 7.20 0.02 . 1 . . . . . . . . 5098 1 197 . 1 1 31 31 PHE HE2 H 1 7.20 0.02 . 1 . . . . . . . . 5098 1 198 . 1 1 31 31 PHE HZ H 1 7.34 0.02 . 1 . . . . . . . . 5098 1 199 . 1 1 32 32 CYS H H 1 8.54 0.02 . 1 . . . . . . . . 5098 1 200 . 1 1 32 32 CYS HA H 1 5.11 0.02 . 1 . . . . . . . . 5098 1 201 . 1 1 32 32 CYS HB2 H 1 2.79 0.02 . 1 . . . . . . . . 5098 1 202 . 1 1 32 32 CYS HB3 H 1 2.79 0.02 . 1 . . . . . . . . 5098 1 203 . 1 1 33 33 ILE H H 1 9.06 0.02 . 1 . . . . . . . . 5098 1 204 . 1 1 33 33 ILE HA H 1 4.75 0.02 . 1 . . . . . . . . 5098 1 205 . 1 1 33 33 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 5098 1 206 . 1 1 33 33 ILE HG12 H 1 1.36 0.02 . 1 . . . . . . . . 5098 1 207 . 1 1 33 33 ILE HG13 H 1 1.12 0.02 . 1 . . . . . . . . 5098 1 208 . 1 1 33 33 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 5098 1 209 . 1 1 33 33 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 5098 1 210 . 1 1 33 33 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 5098 1 211 . 1 1 33 33 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5098 1 212 . 1 1 33 33 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5098 1 213 . 1 1 33 33 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5098 1 214 . 1 1 34 34 HIS H H 1 8.71 0.02 . 1 . . . . . . . . 5098 1 215 . 1 1 34 34 HIS HA H 1 5.38 0.02 . 1 . . . . . . . . 5098 1 216 . 1 1 34 34 HIS HB2 H 1 3.39 0.02 . 1 . . . . . . . . 5098 1 217 . 1 1 34 34 HIS HB3 H 1 3.21 0.02 . 1 . . . . . . . . 5098 1 218 . 1 1 34 34 HIS HD2 H 1 7.52 0.02 . 1 . . . . . . . . 5098 1 219 . 1 1 34 34 HIS HE1 H 1 8.76 0.02 . 1 . . . . . . . . 5098 1 220 . 1 1 35 35 PRO HA H 1 4.49 0.02 . 1 . . . . . . . . 5098 1 221 . 1 1 35 35 PRO HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5098 1 222 . 1 1 35 35 PRO HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5098 1 223 . 1 1 35 35 PRO HG2 H 1 2.00 0.02 . 1 . . . . . . . . 5098 1 224 . 1 1 35 35 PRO HG3 H 1 1.78 0.02 . 1 . . . . . . . . 5098 1 225 . 1 1 35 35 PRO HD2 H 1 3.95 0.02 . 1 . . . . . . . . 5098 1 226 . 1 1 35 35 PRO HD3 H 1 3.63 0.02 . 1 . . . . . . . . 5098 1 227 . 1 1 36 36 THR H H 1 8.12 0.02 . 1 . . . . . . . . 5098 1 228 . 1 1 36 36 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 5098 1 229 . 1 1 36 36 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5098 1 230 . 1 1 36 36 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 5098 1 231 . 1 1 36 36 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 5098 1 232 . 1 1 36 36 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 5098 1 233 . 1 1 37 37 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 5098 1 234 . 1 1 37 37 GLY HA2 H 1 4.03 0.02 . 1 . . . . . . . . 5098 1 235 . 1 1 37 37 GLY HA3 H 1 4.03 0.02 . 1 . . . . . . . . 5098 1 stop_ save_