data_5857 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5857 _Entry.Title ; NMR assignment of human Sip(7-50) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-03 _Entry.Accession_date 2003-07-07 _Entry.Last_release_date 2006-06-26 _Entry.Original_release_date 2006-06-26 _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 E. Santelli . . . 5857 2 R. Liddington . . . 5857 3 N. Preece . E. . 5857 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5857 coupling_constants 1 5857 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 175 5857 '15N chemical shifts' 43 5857 '1H chemical shifts' 226 5857 'coupling constants' 6 5857 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 . . 2006-06-26 2003-07-03 original author . 5857 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5857 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16085652 _Citation.Full_citation . _Citation.Title ; Structural analysis of Siah1-Siah-interacting protein interactions and insights into the assembly of an E3 ligase multiprotein complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 40 _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 34278 _Citation.Page_last 34287 _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 E. Santelli . . . 5857 1 2 M. Leone . . . 5857 1 3 C. Li . . . 5857 1 4 T. Fukushima . . . 5857 1 5 N. Preece . E. . 5857 1 6 A. Olson . J. . 5857 1 7 K. Ely . R. . 5857 1 8 J. Reed . C. . 5857 1 9 M. Pellecchia . . . 5857 1 10 R. Liddington . C. . 5857 1 11 S. Matsuzawa . . . 5857 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 5857 1 sip 5857 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GSH-SIP7-50 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GSH-SIP7-50 _Assembly.Entry_ID 5857 _Assembly.ID 1 _Assembly.Name GSH-SIP7-50 _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 dimer 5857 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 'GSH-SIP7-50 subunit1' 1 $GSH-SIP7-50 . . . native . . 1 . . 5857 1 2 'GSH-SIP7-50 subunit2' 1 $GSH-SIP7-50 . . . native . . 1 . . 5857 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID GSH-shortSIP abbreviation 5857 1 GSH-SIP7-50 system 5857 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GSH-SIP7-50 _Entity.Sf_category entity _Entity.Sf_framecode GSH-SIP7-50 _Entity.Entry_ID 5857 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GSH-SIP(short) _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 ; GSHMAASEELQKDLEEVKVL LEKATRKRVRDALTAEKSKI ETEIKNKMQQK ; _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 51 _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GSH-SIP(short) common 5857 1 shSIP abbreviation 5857 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 -3 GLY . 5857 1 2 -2 SER . 5857 1 3 -1 HIS . 5857 1 4 1 MET . 5857 1 5 2 ALA . 5857 1 6 3 ALA . 5857 1 7 4 SER . 5857 1 8 5 GLU . 5857 1 9 6 GLU . 5857 1 10 7 LEU . 5857 1 11 8 GLN . 5857 1 12 9 LYS . 5857 1 13 10 ASP . 5857 1 14 11 LEU . 5857 1 15 12 GLU . 5857 1 16 13 GLU . 5857 1 17 14 VAL . 5857 1 18 15 LYS . 5857 1 19 16 VAL . 5857 1 20 17 LEU . 5857 1 21 18 LEU . 5857 1 22 19 GLU . 5857 1 23 20 LYS . 5857 1 24 21 ALA . 5857 1 25 22 THR . 5857 1 26 23 ARG . 5857 1 27 24 LYS . 5857 1 28 25 ARG . 5857 1 29 26 VAL . 5857 1 30 27 ARG . 5857 1 31 28 ASP . 5857 1 32 29 ALA . 5857 1 33 30 LEU . 5857 1 34 31 THR . 5857 1 35 32 ALA . 5857 1 36 33 GLU . 5857 1 37 34 LYS . 5857 1 38 35 SER . 5857 1 39 36 LYS . 5857 1 40 37 ILE . 5857 1 41 38 GLU . 5857 1 42 39 THR . 5857 1 43 40 GLU . 5857 1 44 41 ILE . 5857 1 45 42 LYS . 5857 1 46 43 ASN . 5857 1 47 44 LYS . 5857 1 48 45 MET . 5857 1 49 46 GLN . 5857 1 50 47 GLN . 5857 1 51 48 LYS . 5857 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 . GLY 1 1 5857 1 . SER 2 2 5857 1 . HIS 3 3 5857 1 . MET 4 4 5857 1 . ALA 5 5 5857 1 . ALA 6 6 5857 1 . SER 7 7 5857 1 . GLU 8 8 5857 1 . GLU 9 9 5857 1 . LEU 10 10 5857 1 . GLN 11 11 5857 1 . LYS 12 12 5857 1 . ASP 13 13 5857 1 . LEU 14 14 5857 1 . GLU 15 15 5857 1 . GLU 16 16 5857 1 . VAL 17 17 5857 1 . LYS 18 18 5857 1 . VAL 19 19 5857 1 . LEU 20 20 5857 1 . LEU 21 21 5857 1 . GLU 22 22 5857 1 . LYS 23 23 5857 1 . ALA 24 24 5857 1 . THR 25 25 5857 1 . ARG 26 26 5857 1 . LYS 27 27 5857 1 . ARG 28 28 5857 1 . VAL 29 29 5857 1 . ARG 30 30 5857 1 . ASP 31 31 5857 1 . ALA 32 32 5857 1 . LEU 33 33 5857 1 . THR 34 34 5857 1 . ALA 35 35 5857 1 . GLU 36 36 5857 1 . LYS 37 37 5857 1 . SER 38 38 5857 1 . LYS 39 39 5857 1 . ILE 40 40 5857 1 . GLU 41 41 5857 1 . THR 42 42 5857 1 . GLU 43 43 5857 1 . ILE 44 44 5857 1 . LYS 45 45 5857 1 . ASN 46 46 5857 1 . LYS 47 47 5857 1 . MET 48 48 5857 1 . GLN 49 49 5857 1 . GLN 50 50 5857 1 . LYS 51 51 5857 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 5857 _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 $GSH-SIP7-50 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5857 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 5857 _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 $GSH-SIP7-50 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5857 _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 GSH-SIP(short) '[U-15N; U-13C]' . . 1 $GSH-SIP7-50 . . 1.0 1.0 2.0 mM . . . . 5857 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5857 _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 'ionic strength' 1.0 0.05 M 5857 1 pH 5.1 0.2 pH 5857 1 temperature 303 0.3 K 5857 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5857 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details 'Varian Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5857 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5857 _Software.ID 2 _Software.Name FELIX _Software.Version 2000 _Software.Details ; Assign module by accelerys.com. '9685 Scranton Road' 'San Diego' CA 92121-2777 USA ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5857 2 'spectral display' 5857 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 5857 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYplus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5857 _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 Varian UNITYplus . 500 . . . 5857 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 5857 _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 'watergate/presat H1-H1 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 2 N15-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 3 N15-TOCSYHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 4 N15-NOESYHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 5 C13-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 6 C(CO)NH/C(CC-TOCSY-CO)N-NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 7 H(CCO)NH/H(CC-TOCSY-CO)N-NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 8 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 10 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 11 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 12 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 1 13 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5857 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 5857 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'watergate/presat H1-H1 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 5857 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name N15-HSQC _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 5857 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name N15-TOCSYHSQC _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name N15-NOESYHSQC _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name C13-HSQC _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C(CO)NH/C(CC-TOCSY-CO)N-NH _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CCO)NH/H(CC-TOCSY-CO)N-NH _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNHB _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNCA _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5857 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNCACB _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 5857 _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 C 13 DSS 'methyl of DSS' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 5857 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5857 1 N 15 DSS 'methyl of DSS' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 5857 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_cs_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_set_1 _Assigned_chem_shift_list.Entry_ID 5857 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5857 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 8 8 GLU CA C 13 59.319 0.01 . 1 . . . . . . . . 5857 1 2 . 1 1 8 8 GLU CB C 13 29.745 0.01 . 1 . . . . . . . . 5857 1 3 . 1 1 8 8 GLU CG C 13 36.761 0.01 . 1 . . . . . . . . 5857 1 4 . 1 1 8 8 GLU HA H 1 4.130 0.01 . 1 . . . . . . . . 5857 1 5 . 1 1 8 8 GLU HB3 H 1 2.114 0.01 . 2 . . . . . . . . 5857 1 6 . 1 1 8 8 GLU HG3 H 1 2.327 0.01 . 2 . . . . . . . . 5857 1 7 . 1 1 9 9 GLU CA C 13 58.888 0.01 . 1 . . . . . . . . 5857 1 8 . 1 1 9 9 GLU CB C 13 29.313 0.01 . 1 . . . . . . . . 5857 1 9 . 1 1 9 9 GLU CG C 13 36.329 0.01 . 1 . . . . . . . . 5857 1 10 . 1 1 9 9 GLU H H 1 8.015 0.01 . 1 . . . . . . . . 5857 1 11 . 1 1 9 9 GLU HA H 1 3.997 0.01 . 1 . . . . . . . . 5857 1 12 . 1 1 9 9 GLU HB3 H 1 2.110 0.01 . 2 . . . . . . . . 5857 1 13 . 1 1 9 9 GLU HG3 H 1 2.352 0.01 . 2 . . . . . . . . 5857 1 14 . 1 1 9 9 GLU N N 15 118.334 0.01 . 1 . . . . . . . . 5857 1 15 . 1 1 10 10 LEU CA C 13 57.620 0.01 . 1 . . . . . . . . 5857 1 16 . 1 1 10 10 LEU CB C 13 42.915 0.01 . 1 . . . . . . . . 5857 1 17 . 1 1 10 10 LEU CD1 C 13 23.814 0.01 . 1 . . . . . . . . 5857 1 18 . 1 1 10 10 LEU CG C 13 26.211 0.01 . 1 . . . . . . . . 5857 1 19 . 1 1 10 10 LEU H H 1 7.762 0.01 . 1 . . . . . . . . 5857 1 20 . 1 1 10 10 LEU HA H 1 4.376 0.01 . 1 . . . . . . . . 5857 1 21 . 1 1 10 10 LEU HB2 H 1 1.367 0.01 . 2 . . . . . . . . 5857 1 22 . 1 1 10 10 LEU HB3 H 1 1.823 0.01 . 2 . . . . . . . . 5857 1 23 . 1 1 10 10 LEU HD11 H 1 1.023 0.01 . 2 . . . . . . . . 5857 1 24 . 1 1 10 10 LEU HD12 H 1 1.023 0.01 . 2 . . . . . . . . 5857 1 25 . 1 1 10 10 LEU HD13 H 1 1.023 0.01 . 2 . . . . . . . . 5857 1 26 . 1 1 10 10 LEU HD21 H 1 0.901 0.01 . 2 . . . . . . . . 5857 1 27 . 1 1 10 10 LEU HD22 H 1 0.901 0.01 . 2 . . . . . . . . 5857 1 28 . 1 1 10 10 LEU HD23 H 1 0.901 0.01 . 2 . . . . . . . . 5857 1 29 . 1 1 10 10 LEU N N 15 118.334 0.01 . 1 . . . . . . . . 5857 1 30 . 1 1 10 10 LEU C C 13 172.582 0.01 . 1 . . . . . . . . 5857 1 31 . 1 1 11 11 GLN CA C 13 59.103 0.01 . 1 . . . . . . . . 5857 1 32 . 1 1 11 11 GLN CB C 13 27.856 0.01 . 1 . . . . . . . . 5857 1 33 . 1 1 11 11 GLN CG C 13 33.631 0.01 . 1 . . . . . . . . 5857 1 34 . 1 1 11 11 GLN H H 1 8.016 0.01 . 1 . . . . . . . . 5857 1 35 . 1 1 11 11 GLN HA H 1 3.949 0.01 . 1 . . . . . . . . 5857 1 36 . 1 1 11 11 GLN HB3 H 1 2.208 0.01 . 2 . . . . . . . . 5857 1 37 . 1 1 11 11 GLN HG2 H 1 2.473 0.01 . 2 . . . . . . . . 5857 1 38 . 1 1 11 11 GLN N N 15 116.484 0.01 . 1 . . . . . . . . 5857 1 39 . 1 1 12 12 LYS CA C 13 59.897 0.01 . 1 . . . . . . . . 5857 1 40 . 1 1 12 12 LYS CB C 13 31.988 0.01 . 1 . . . . . . . . 5857 1 41 . 1 1 12 12 LYS CD C 13 29.845 0.01 . 1 . . . . . . . . 5857 1 42 . 1 1 12 12 LYS CE C 13 42.650 0.01 . 1 . . . . . . . . 5857 1 43 . 1 1 12 12 LYS CG C 13 25.873 0.01 . 1 . . . . . . . . 5857 1 44 . 1 1 12 12 LYS H H 1 7.660 0.01 . 1 . . . . . . . . 5857 1 45 . 1 1 12 12 LYS HA H 1 4.114 0.01 . 1 . . . . . . . . 5857 1 46 . 1 1 12 12 LYS HB3 H 1 2.033 0.01 . 2 . . . . . . . . 5857 1 47 . 1 1 12 12 LYS HD2 H 1 1.672 0.01 . 2 . . . . . . . . 5857 1 48 . 1 1 12 12 LYS HE2 H 1 2.925 0.01 . 2 . . . . . . . . 5857 1 49 . 1 1 12 12 LYS HG3 H 1 1.447 0.01 . 2 . . . . . . . . 5857 1 50 . 1 1 12 12 LYS N N 15 118.705 0.01 . 1 . . . . . . . . 5857 1 51 . 1 1 12 12 LYS C C 13 173.198 0.01 . 1 . . . . . . . . 5857 1 52 . 1 1 13 13 ASP CA C 13 58.662 0.01 . 1 . . . . . . . . 5857 1 53 . 1 1 13 13 ASP CB C 13 41.034 0.01 . 1 . . . . . . . . 5857 1 54 . 1 1 13 13 ASP H H 1 8.026 0.01 . 1 . . . . . . . . 5857 1 55 . 1 1 13 13 ASP HA H 1 4.241 0.01 . 1 . . . . . . . . 5857 1 56 . 1 1 13 13 ASP HB2 H 1 2.311 0.01 . 2 . . . . . . . . 5857 1 57 . 1 1 13 13 ASP HB3 H 1 3.200 0.01 . 2 . . . . . . . . 5857 1 58 . 1 1 13 13 ASP N N 15 121.296 0.01 . 1 . . . . . . . . 5857 1 59 . 1 1 13 13 ASP C C 13 173.399 0.01 . 1 . . . . . . . . 5857 1 60 . 1 1 14 14 LEU CA C 13 57.700 0.01 . 1 . . . . . . . . 5857 1 61 . 1 1 14 14 LEU CB C 13 41.956 0.01 . 1 . . . . . . . . 5857 1 62 . 1 1 14 14 LEU CD1 C 13 24.213 0.01 . 1 . . . . . . . . 5857 1 63 . 1 1 14 14 LEU CG C 13 26.291 0.01 . 1 . . . . . . . . 5857 1 64 . 1 1 14 14 LEU H H 1 8.442 0.01 . 1 . . . . . . . . 5857 1 65 . 1 1 14 14 LEU HA H 1 3.910 0.01 . 1 . . . . . . . . 5857 1 66 . 1 1 14 14 LEU HB2 H 1 1.601 0.01 . 2 . . . . . . . . 5857 1 67 . 1 1 14 14 LEU HB3 H 1 2.145 0.01 . 2 . . . . . . . . 5857 1 68 . 1 1 14 14 LEU HD21 H 1 0.990 0.01 . 2 . . . . . . . . 5857 1 69 . 1 1 14 14 LEU HD22 H 1 0.990 0.01 . 2 . . . . . . . . 5857 1 70 . 1 1 14 14 LEU HD23 H 1 0.990 0.01 . 2 . . . . . . . . 5857 1 71 . 1 1 14 14 LEU N N 15 119.445 0.01 . 1 . . . . . . . . 5857 1 72 . 1 1 14 14 LEU C C 13 173.581 0.01 . 1 . . . . . . . . 5857 1 73 . 1 1 15 15 GLU CA C 13 59.413 0.01 . 1 . . . . . . . . 5857 1 74 . 1 1 15 15 GLU CB C 13 29.418 0.01 . 1 . . . . . . . . 5857 1 75 . 1 1 15 15 GLU CG C 13 36.190 0.01 . 1 . . . . . . . . 5857 1 76 . 1 1 15 15 GLU H H 1 8.334 0.01 . 1 . . . . . . . . 5857 1 77 . 1 1 15 15 GLU HA H 1 4.005 0.01 . 1 . . . . . . . . 5857 1 78 . 1 1 15 15 GLU HB3 H 1 2.121 0.01 . 2 . . . . . . . . 5857 1 79 . 1 1 15 15 GLU HG3 H 1 2.456 0.01 . 2 . . . . . . . . 5857 1 80 . 1 1 15 15 GLU N N 15 116.114 0.01 . 1 . . . . . . . . 5857 1 81 . 1 1 15 15 GLU C C 13 172.486 0.01 . 1 . . . . . . . . 5857 1 82 . 1 1 16 16 GLU CB C 13 29.961 0.01 . 1 . . . . . . . . 5857 1 83 . 1 1 16 16 GLU CG C 13 39.028 0.01 . 1 . . . . . . . . 5857 1 84 . 1 1 16 16 GLU H H 1 7.533 0.01 . 1 . . . . . . . . 5857 1 85 . 1 1 16 16 GLU HA H 1 4.299 0.01 . 1 . . . . . . . . 5857 1 86 . 1 1 16 16 GLU HB3 H 1 2.146 0.01 . 2 . . . . . . . . 5857 1 87 . 1 1 16 16 GLU HG2 H 1 2.303 0.01 . 2 . . . . . . . . 5857 1 88 . 1 1 16 16 GLU N N 15 117.594 0.01 . 1 . . . . . . . . 5857 1 89 . 1 1 16 16 GLU C C 13 173.184 0.01 . 1 . . . . . . . . 5857 1 90 . 1 1 17 17 VAL CA C 13 67.924 0.01 . 1 . . . . . . . . 5857 1 91 . 1 1 17 17 VAL CB C 13 31.112 0.01 . 1 . . . . . . . . 5857 1 92 . 1 1 17 17 VAL CG1 C 13 23.095 0.01 . 1 . . . . . . . . 5857 1 93 . 1 1 17 17 VAL H H 1 8.336 0.01 . 1 . . . . . . . . 5857 1 94 . 1 1 17 17 VAL HA H 1 3.543 0.01 . 1 . . . . . . . . 5857 1 95 . 1 1 17 17 VAL HB H 1 2.250 0.01 . 1 . . . . . . . . 5857 1 96 . 1 1 17 17 VAL HG21 H 1 1.034 0.01 . 2 . . . . . . . . 5857 1 97 . 1 1 17 17 VAL HG22 H 1 1.034 0.01 . 2 . . . . . . . . 5857 1 98 . 1 1 17 17 VAL HG23 H 1 1.034 0.01 . 2 . . . . . . . . 5857 1 99 . 1 1 17 17 VAL N N 15 118.334 0.01 . 1 . . . . . . . . 5857 1 100 . 1 1 17 17 VAL C C 13 170.010 0.01 . 1 . . . . . . . . 5857 1 101 . 1 1 18 18 LYS CA C 13 61.032 0.01 . 1 . . . . . . . . 5857 1 102 . 1 1 18 18 LYS CB C 13 32.524 0.01 . 1 . . . . . . . . 5857 1 103 . 1 1 18 18 LYS CD C 13 29.728 0.01 . 1 . . . . . . . . 5857 1 104 . 1 1 18 18 LYS CE C 13 41.946 0.01 . 1 . . . . . . . . 5857 1 105 . 1 1 18 18 LYS CG C 13 26.385 0.01 . 1 . . . . . . . . 5857 1 106 . 1 1 18 18 LYS H H 1 8.148 0.01 . 1 . . . . . . . . 5857 1 107 . 1 1 18 18 LYS HA H 1 3.873 0.01 . 1 . . . . . . . . 5857 1 108 . 1 1 18 18 LYS HB2 H 1 1.702 0.01 . 2 . . . . . . . . 5857 1 109 . 1 1 18 18 LYS HB3 H 1 1.943 0.01 . 2 . . . . . . . . 5857 1 110 . 1 1 18 18 LYS HE2 H 1 2.921 0.01 . 2 . . . . . . . . 5857 1 111 . 1 1 18 18 LYS HG2 H 1 1.346 0.01 . 2 . . . . . . . . 5857 1 112 . 1 1 18 18 LYS N N 15 116.854 0.01 . 1 . . . . . . . . 5857 1 113 . 1 1 19 19 VAL CA C 13 66.389 0.01 . 1 . . . . . . . . 5857 1 114 . 1 1 19 19 VAL CB C 13 32.012 0.01 . 1 . . . . . . . . 5857 1 115 . 1 1 19 19 VAL CG1 C 13 21.218 0.01 . 1 . . . . . . . . 5857 1 116 . 1 1 19 19 VAL H H 1 7.811 0.01 . 1 . . . . . . . . 5857 1 117 . 1 1 19 19 VAL HA H 1 3.816 0.01 . 1 . . . . . . . . 5857 1 118 . 1 1 19 19 VAL HG21 H 1 0.997 0.01 . 2 . . . . . . . . 5857 1 119 . 1 1 19 19 VAL HG22 H 1 0.997 0.01 . 2 . . . . . . . . 5857 1 120 . 1 1 19 19 VAL HG23 H 1 0.997 0.01 . 2 . . . . . . . . 5857 1 121 . 1 1 19 19 VAL N N 15 119.445 0.01 . 1 . . . . . . . . 5857 1 122 . 1 1 19 19 VAL C C 13 173.804 0.01 . 1 . . . . . . . . 5857 1 123 . 1 1 20 20 LEU CA C 13 57.932 0.01 . 1 . . . . . . . . 5857 1 124 . 1 1 20 20 LEU CB C 13 41.277 0.01 . 1 . . . . . . . . 5857 1 125 . 1 1 20 20 LEU CD1 C 13 22.312 0.01 . 1 . . . . . . . . 5857 1 126 . 1 1 20 20 LEU CG C 13 27.418 0.01 . 1 . . . . . . . . 5857 1 127 . 1 1 20 20 LEU H H 1 8.370 0.01 . 1 . . . . . . . . 5857 1 128 . 1 1 20 20 LEU HA H 1 4.063 0.01 . 1 . . . . . . . . 5857 1 129 . 1 1 20 20 LEU HB2 H 1 1.323 0.01 . 2 . . . . . . . . 5857 1 130 . 1 1 20 20 LEU HB3 H 1 1.941 0.01 . 2 . . . . . . . . 5857 1 131 . 1 1 20 20 LEU HD21 H 1 0.817 0.01 . 2 . . . . . . . . 5857 1 132 . 1 1 20 20 LEU HD22 H 1 0.817 0.01 . 2 . . . . . . . . 5857 1 133 . 1 1 20 20 LEU HD23 H 1 0.817 0.01 . 2 . . . . . . . . 5857 1 134 . 1 1 20 20 LEU N N 15 118.705 0.01 . 1 . . . . . . . . 5857 1 135 . 1 1 20 20 LEU C C 13 173.568 0.01 . 1 . . . . . . . . 5857 1 136 . 1 1 21 21 LEU CA C 13 58.040 0.01 . 1 . . . . . . . . 5857 1 137 . 1 1 21 21 LEU CB C 13 42.475 0.01 . 1 . . . . . . . . 5857 1 138 . 1 1 21 21 LEU CD1 C 13 25.229 0.01 . 1 . . . . . . . . 5857 1 139 . 1 1 21 21 LEU CG C 13 28.075 0.01 . 1 . . . . . . . . 5857 1 140 . 1 1 21 21 LEU H H 1 8.622 0.01 . 1 . . . . . . . . 5857 1 141 . 1 1 21 21 LEU HA H 1 3.946 0.01 . 1 . . . . . . . . 5857 1 142 . 1 1 21 21 LEU HB3 H 1 1.675 0.01 . 2 . . . . . . . . 5857 1 143 . 1 1 21 21 LEU HD21 H 1 0.887 0.01 . 2 . . . . . . . . 5857 1 144 . 1 1 21 21 LEU HD22 H 1 0.887 0.01 . 2 . . . . . . . . 5857 1 145 . 1 1 21 21 LEU HD23 H 1 0.887 0.01 . 2 . . . . . . . . 5857 1 146 . 1 1 21 21 LEU N N 15 119.445 0.01 . 1 . . . . . . . . 5857 1 147 . 1 1 21 21 LEU C C 13 172.068 0.01 . 1 . . . . . . . . 5857 1 148 . 1 1 22 22 GLU CA C 13 58.393 0.01 . 1 . . . . . . . . 5857 1 149 . 1 1 22 22 GLU CB C 13 29.843 0.01 . 1 . . . . . . . . 5857 1 150 . 1 1 22 22 GLU CG C 13 36.428 0.01 . 1 . . . . . . . . 5857 1 151 . 1 1 22 22 GLU H H 1 7.356 0.01 . 1 . . . . . . . . 5857 1 152 . 1 1 22 22 GLU HA H 1 4.136 0.01 . 1 . . . . . . . . 5857 1 153 . 1 1 22 22 GLU HG2 H 1 2.171 0.01 . 2 . . . . . . . . 5857 1 154 . 1 1 22 22 GLU HG3 H 1 2.328 0.01 . 2 . . . . . . . . 5857 1 155 . 1 1 22 22 GLU N N 15 115.003 0.01 . 1 . . . . . . . . 5857 1 156 . 1 1 22 22 GLU C C 13 172.856 0.01 . 1 . . . . . . . . 5857 1 157 . 1 1 23 23 LYS CA C 13 55.966 0.01 . 1 . . . . . . . . 5857 1 158 . 1 1 23 23 LYS CB C 13 33.821 0.01 . 1 . . . . . . . . 5857 1 159 . 1 1 23 23 LYS CD C 13 28.867 0.01 . 1 . . . . . . . . 5857 1 160 . 1 1 23 23 LYS CE C 13 42.214 0.01 . 1 . . . . . . . . 5857 1 161 . 1 1 23 23 LYS CG C 13 25.024 0.01 . 1 . . . . . . . . 5857 1 162 . 1 1 23 23 LYS H H 1 7.263 0.01 . 1 . . . . . . . . 5857 1 163 . 1 1 23 23 LYS HA H 1 4.301 0.01 . 1 . . . . . . . . 5857 1 164 . 1 1 23 23 LYS HB3 H 1 1.828 0.01 . 2 . . . . . . . . 5857 1 165 . 1 1 23 23 LYS HE2 H 1 2.966 0.01 . 2 . . . . . . . . 5857 1 166 . 1 1 23 23 LYS HG3 H 1 1.562 0.01 . 2 . . . . . . . . 5857 1 167 . 1 1 23 23 LYS N N 15 115.373 0.01 . 1 . . . . . . . . 5857 1 168 . 1 1 23 23 LYS C C 13 172.199 0.01 . 1 . . . . . . . . 5857 1 169 . 1 1 24 24 ALA CA C 13 52.925 0.01 . 1 . . . . . . . . 5857 1 170 . 1 1 24 24 ALA CB C 13 19.248 0.01 . 1 . . . . . . . . 5857 1 171 . 1 1 24 24 ALA H H 1 7.567 0.01 . 1 . . . . . . . . 5857 1 172 . 1 1 24 24 ALA HA H 1 4.177 0.01 . 1 . . . . . . . . 5857 1 173 . 1 1 24 24 ALA HB1 H 1 1.320 0.01 . 1 . . . . . . . . 5857 1 174 . 1 1 24 24 ALA HB2 H 1 1.320 0.01 . 1 . . . . . . . . 5857 1 175 . 1 1 24 24 ALA HB3 H 1 1.320 0.01 . 1 . . . . . . . . 5857 1 176 . 1 1 24 24 ALA N N 15 122.406 0.01 . 1 . . . . . . . . 5857 1 177 . 1 1 24 24 ALA C C 13 175.515 0.01 . 1 . . . . . . . . 5857 1 178 . 1 1 25 25 THR CA C 13 62.521 0.01 . 1 . . . . . . . . 5857 1 179 . 1 1 25 25 THR CB C 13 71.174 0.01 . 1 . . . . . . . . 5857 1 180 . 1 1 25 25 THR CG2 C 13 21.673 0.01 . 1 . . . . . . . . 5857 1 181 . 1 1 25 25 THR H H 1 10.639 0.01 . 1 . . . . . . . . 5857 1 182 . 1 1 25 25 THR HA H 1 4.605 0.01 . 1 . . . . . . . . 5857 1 183 . 1 1 25 25 THR HB H 1 4.224 0.01 . 1 . . . . . . . . 5857 1 184 . 1 1 25 25 THR HG21 H 1 1.243 0.01 . 1 . . . . . . . . 5857 1 185 . 1 1 25 25 THR HG22 H 1 1.243 0.01 . 1 . . . . . . . . 5857 1 186 . 1 1 25 25 THR HG23 H 1 1.243 0.01 . 1 . . . . . . . . 5857 1 187 . 1 1 25 25 THR N N 15 116.854 0.01 . 1 . . . . . . . . 5857 1 188 . 1 1 25 25 THR C C 13 171.427 0.01 . 1 . . . . . . . . 5857 1 189 . 1 1 26 26 ARG CD C 13 40.883 0.01 . 1 . . . . . . . . 5857 1 190 . 1 1 26 26 ARG CG C 13 25.640 0.01 . 1 . . . . . . . . 5857 1 191 . 1 1 26 26 ARG H H 1 9.815 0.01 . 1 . . . . . . . . 5857 1 192 . 1 1 26 26 ARG HA H 1 4.505 0.01 . 1 . . . . . . . . 5857 1 193 . 1 1 26 26 ARG HB3 H 1 1.800 0.01 . 2 . . . . . . . . 5857 1 194 . 1 1 26 26 ARG HD2 H 1 2.990 0.01 . 2 . . . . . . . . 5857 1 195 . 1 1 26 26 ARG N N 15 126.478 0.01 . 1 . . . . . . . . 5857 1 196 . 1 1 26 26 ARG C C 13 170.188 0.01 . 1 . . . . . . . . 5857 1 197 . 1 1 27 27 LYS CA C 13 60.664 0.01 . 1 . . . . . . . . 5857 1 198 . 1 1 27 27 LYS CB C 13 32.892 0.01 . 1 . . . . . . . . 5857 1 199 . 1 1 27 27 LYS CD C 13 28.796 0.01 . 1 . . . . . . . . 5857 1 200 . 1 1 27 27 LYS CE C 13 42.582 0.01 . 1 . . . . . . . . 5857 1 201 . 1 1 27 27 LYS CG C 13 24.800 0.01 . 1 . . . . . . . . 5857 1 202 . 1 1 27 27 LYS H H 1 8.987 0.01 . 1 . . . . . . . . 5857 1 203 . 1 1 27 27 LYS HA H 1 3.803 0.01 . 1 . . . . . . . . 5857 1 204 . 1 1 27 27 LYS HB2 H 1 1.750 0.01 . 2 . . . . . . . . 5857 1 205 . 1 1 27 27 LYS HB3 H 1 1.977 0.01 . 2 . . . . . . . . 5857 1 206 . 1 1 27 27 LYS HD2 H 1 1.615 0.01 . 2 . . . . . . . . 5857 1 207 . 1 1 27 27 LYS HE2 H 1 3.048 0.01 . 2 . . . . . . . . 5857 1 208 . 1 1 27 27 LYS HG2 H 1 1.403 0.01 . 2 . . . . . . . . 5857 1 209 . 1 1 27 27 LYS N N 15 127.959 0.01 . 1 . . . . . . . . 5857 1 210 . 1 1 27 27 LYS C C 13 171.627 0.01 . 1 . . . . . . . . 5857 1 211 . 1 1 28 28 ARG CA C 13 59.322 0.01 . 1 . . . . . . . . 5857 1 212 . 1 1 28 28 ARG CB C 13 30.782 0.01 . 1 . . . . . . . . 5857 1 213 . 1 1 28 28 ARG CD C 13 43.598 0.01 . 1 . . . . . . . . 5857 1 214 . 1 1 28 28 ARG CG C 13 27.146 0.01 . 1 . . . . . . . . 5857 1 215 . 1 1 28 28 ARG H H 1 9.408 0.01 . 1 . . . . . . . . 5857 1 216 . 1 1 28 28 ARG HA H 1 4.153 0.01 . 1 . . . . . . . . 5857 1 217 . 1 1 28 28 ARG HB3 H 1 2.038 0.01 . 2 . . . . . . . . 5857 1 218 . 1 1 28 28 ARG HD2 H 1 3.062 0.01 . 2 . . . . . . . . 5857 1 219 . 1 1 28 28 ARG HD3 H 1 3.210 0.01 . 2 . . . . . . . . 5857 1 220 . 1 1 28 28 ARG HG2 H 1 1.567 0.01 . 2 . . . . . . . . 5857 1 221 . 1 1 28 28 ARG N N 15 115.744 0.01 . 1 . . . . . . . . 5857 1 222 . 1 1 28 28 ARG C C 13 171.802 0.01 . 1 . . . . . . . . 5857 1 223 . 1 1 29 29 VAL CA C 13 66.199 0.01 . 1 . . . . . . . . 5857 1 224 . 1 1 29 29 VAL CB C 13 31.673 0.01 . 1 . . . . . . . . 5857 1 225 . 1 1 29 29 VAL CG1 C 13 23.771 0.01 . 1 . . . . . . . . 5857 1 226 . 1 1 29 29 VAL H H 1 6.784 0.01 . 1 . . . . . . . . 5857 1 227 . 1 1 29 29 VAL HA H 1 3.407 0.01 . 1 . . . . . . . . 5857 1 228 . 1 1 29 29 VAL HB H 1 2.249 0.01 . 1 . . . . . . . . 5857 1 229 . 1 1 29 29 VAL HG21 H 1 0.908 0.01 . 2 . . . . . . . . 5857 1 230 . 1 1 29 29 VAL HG22 H 1 0.908 0.01 . 2 . . . . . . . . 5857 1 231 . 1 1 29 29 VAL HG23 H 1 0.908 0.01 . 2 . . . . . . . . 5857 1 232 . 1 1 29 29 VAL N N 15 117.594 0.01 . 1 . . . . . . . . 5857 1 233 . 1 1 29 29 VAL C C 13 172.897 0.01 . 1 . . . . . . . . 5857 1 234 . 1 1 30 30 ARG CB C 13 29.917 0.01 . 1 . . . . . . . . 5857 1 235 . 1 1 30 30 ARG CD C 13 43.126 0.01 . 1 . . . . . . . . 5857 1 236 . 1 1 30 30 ARG CG C 13 28.810 0.01 . 1 . . . . . . . . 5857 1 237 . 1 1 30 30 ARG H H 1 8.649 0.01 . 1 . . . . . . . . 5857 1 238 . 1 1 30 30 ARG HB3 H 1 1.812 0.01 . 2 . . . . . . . . 5857 1 239 . 1 1 30 30 ARG HD2 H 1 2.944 0.01 . 2 . . . . . . . . 5857 1 240 . 1 1 30 30 ARG HG2 H 1 1.390 0.01 . 2 . . . . . . . . 5857 1 241 . 1 1 30 30 ARG N N 15 119.275 0.01 . 1 . . . . . . . . 5857 1 242 . 1 1 30 30 ARG C C 13 171.952 0.01 . 1 . . . . . . . . 5857 1 243 . 1 1 31 31 ASP CA C 13 57.641 0.01 . 1 . . . . . . . . 5857 1 244 . 1 1 31 31 ASP CB C 13 39.414 0.01 . 1 . . . . . . . . 5857 1 245 . 1 1 31 31 ASP H H 1 9.170 0.01 . 1 . . . . . . . . 5857 1 246 . 1 1 31 31 ASP HA H 1 4.364 0.01 . 1 . . . . . . . . 5857 1 247 . 1 1 31 31 ASP HB2 H 1 2.612 0.01 . 2 . . . . . . . . 5857 1 248 . 1 1 31 31 ASP N N 15 120.555 0.01 . 1 . . . . . . . . 5857 1 249 . 1 1 31 31 ASP C C 13 174.197 0.01 . 1 . . . . . . . . 5857 1 250 . 1 1 32 32 ALA CA C 13 55.327 0.01 . 1 . . . . . . . . 5857 1 251 . 1 1 32 32 ALA CB C 13 17.077 0.01 . 1 . . . . . . . . 5857 1 252 . 1 1 32 32 ALA H H 1 7.588 0.01 . 1 . . . . . . . . 5857 1 253 . 1 1 32 32 ALA HA H 1 4.298 0.01 . 1 . . . . . . . . 5857 1 254 . 1 1 32 32 ALA HB1 H 1 1.482 0.01 . 1 . . . . . . . . 5857 1 255 . 1 1 32 32 ALA HB2 H 1 1.482 0.01 . 1 . . . . . . . . 5857 1 256 . 1 1 32 32 ALA HB3 H 1 1.482 0.01 . 1 . . . . . . . . 5857 1 257 . 1 1 32 32 ALA N N 15 123.147 0.01 . 1 . . . . . . . . 5857 1 258 . 1 1 32 32 ALA C C 13 173.143 0.01 . 1 . . . . . . . . 5857 1 259 . 1 1 33 33 LEU CA C 13 57.823 0.01 . 1 . . . . . . . . 5857 1 260 . 1 1 33 33 LEU CB C 13 41.553 0.01 . 1 . . . . . . . . 5857 1 261 . 1 1 33 33 LEU CD1 C 13 22.147 0.01 . 1 . . . . . . . . 5857 1 262 . 1 1 33 33 LEU CD2 C 13 26.237 0.01 . 1 . . . . . . . . 5857 1 263 . 1 1 33 33 LEU CG C 13 27.646 0.01 . 1 . . . . . . . . 5857 1 264 . 1 1 33 33 LEU H H 1 8.263 0.01 . 1 . . . . . . . . 5857 1 265 . 1 1 33 33 LEU HA H 1 4.072 0.01 . 1 . . . . . . . . 5857 1 266 . 1 1 33 33 LEU HB2 H 1 1.324 0.01 . 2 . . . . . . . . 5857 1 267 . 1 1 33 33 LEU HB3 H 1 1.742 0.01 . 2 . . . . . . . . 5857 1 268 . 1 1 33 33 LEU HD11 H 1 0.745 0.01 . 2 . . . . . . . . 5857 1 269 . 1 1 33 33 LEU HD12 H 1 0.745 0.01 . 2 . . . . . . . . 5857 1 270 . 1 1 33 33 LEU HD13 H 1 0.745 0.01 . 2 . . . . . . . . 5857 1 271 . 1 1 33 33 LEU HD21 H 1 0.866 0.01 . 2 . . . . . . . . 5857 1 272 . 1 1 33 33 LEU HD22 H 1 0.866 0.01 . 2 . . . . . . . . 5857 1 273 . 1 1 33 33 LEU HD23 H 1 0.866 0.01 . 2 . . . . . . . . 5857 1 274 . 1 1 33 33 LEU N N 15 117.964 0.01 . 1 . . . . . . . . 5857 1 275 . 1 1 33 33 LEU C C 13 175.753 0.01 . 1 . . . . . . . . 5857 1 276 . 1 1 34 34 THR CB C 13 67.607 0.01 . 1 . . . . . . . . 5857 1 277 . 1 1 34 34 THR CG2 C 13 21.648 0.01 . 1 . . . . . . . . 5857 1 278 . 1 1 34 34 THR H H 1 8.995 0.01 . 1 . . . . . . . . 5857 1 279 . 1 1 34 34 THR HG1 H 1 3.782 0.01 . 1 . . . . . . . . 5857 1 280 . 1 1 34 34 THR HG21 H 1 1.265 0.01 . 1 . . . . . . . . 5857 1 281 . 1 1 34 34 THR HG22 H 1 1.265 0.01 . 1 . . . . . . . . 5857 1 282 . 1 1 34 34 THR HG23 H 1 1.265 0.01 . 1 . . . . . . . . 5857 1 283 . 1 1 34 34 THR N N 15 117.594 0.01 . 1 . . . . . . . . 5857 1 284 . 1 1 34 34 THR C C 13 172.845 0.01 . 1 . . . . . . . . 5857 1 285 . 1 1 35 35 ALA CA C 13 55.188 0.01 . 1 . . . . . . . . 5857 1 286 . 1 1 35 35 ALA CB C 13 17.561 0.01 . 1 . . . . . . . . 5857 1 287 . 1 1 35 35 ALA H H 1 8.043 0.01 . 1 . . . . . . . . 5857 1 288 . 1 1 35 35 ALA HA H 1 4.229 0.01 . 1 . . . . . . . . 5857 1 289 . 1 1 35 35 ALA HB1 H 1 1.517 0.01 . 1 . . . . . . . . 5857 1 290 . 1 1 35 35 ALA HB2 H 1 1.517 0.01 . 1 . . . . . . . . 5857 1 291 . 1 1 35 35 ALA HB3 H 1 1.517 0.01 . 1 . . . . . . . . 5857 1 292 . 1 1 35 35 ALA N N 15 123.897 0.01 . 1 . . . . . . . . 5857 1 293 . 1 1 35 35 ALA C C 13 175.679 0.01 . 1 . . . . . . . . 5857 1 294 . 1 1 36 36 GLU CA C 13 58.850 0.01 . 1 . . . . . . . . 5857 1 295 . 1 1 36 36 GLU CG C 13 29.159 0.01 . 1 . . . . . . . . 5857 1 296 . 1 1 36 36 GLU H H 1 7.468 0.01 . 1 . . . . . . . . 5857 1 297 . 1 1 36 36 GLU HA H 1 4.174 0.01 . 1 . . . . . . . . 5857 1 298 . 1 1 36 36 GLU HB2 H 1 1.955 0.01 . 2 . . . . . . . . 5857 1 299 . 1 1 36 36 GLU HB3 H 1 2.067 0.01 . 2 . . . . . . . . 5857 1 300 . 1 1 36 36 GLU HG2 H 1 2.219 0.01 . 2 . . . . . . . . 5857 1 301 . 1 1 36 36 GLU N N 15 119.075 0.01 . 1 . . . . . . . . 5857 1 302 . 1 1 36 36 GLU C C 13 174.854 0.01 . 1 . . . . . . . . 5857 1 303 . 1 1 37 37 LYS CA C 13 60.639 0.01 . 1 . . . . . . . . 5857 1 304 . 1 1 37 37 LYS CB C 13 32.796 0.01 . 1 . . . . . . . . 5857 1 305 . 1 1 37 37 LYS CD C 13 30.483 0.01 . 1 . . . . . . . . 5857 1 306 . 1 1 37 37 LYS CE C 13 41.568 0.01 . 1 . . . . . . . . 5857 1 307 . 1 1 37 37 LYS CG C 13 24.461 0.01 . 1 . . . . . . . . 5857 1 308 . 1 1 37 37 LYS H H 1 8.688 0.01 . 1 . . . . . . . . 5857 1 309 . 1 1 37 37 LYS HA H 1 3.735 0.01 . 1 . . . . . . . . 5857 1 310 . 1 1 37 37 LYS HB3 H 1 1.774 0.01 . 2 . . . . . . . . 5857 1 311 . 1 1 37 37 LYS HE2 H 1 2.791 0.01 . 2 . . . . . . . . 5857 1 312 . 1 1 37 37 LYS HG2 H 1 1.201 0.01 . 2 . . . . . . . . 5857 1 313 . 1 1 37 37 LYS HG3 H 1 1.540 0.01 . 2 . . . . . . . . 5857 1 314 . 1 1 37 37 LYS N N 15 119.715 0.01 . 1 . . . . . . . . 5857 1 315 . 1 1 37 37 LYS C C 13 172.322 0.01 . 1 . . . . . . . . 5857 1 316 . 1 1 38 38 SER CA C 13 52.832 0.01 . 1 . . . . . . . . 5857 1 317 . 1 1 38 38 SER CB C 13 61.730 0.01 . 1 . . . . . . . . 5857 1 318 . 1 1 38 38 SER H H 1 8.165 0.01 . 1 . . . . . . . . 5857 1 319 . 1 1 38 38 SER HA H 1 4.224 0.01 . 1 . . . . . . . . 5857 1 320 . 1 1 38 38 SER HB3 H 1 4.006 0.01 . 2 . . . . . . . . 5857 1 321 . 1 1 38 38 SER N N 15 112.042 0.01 . 1 . . . . . . . . 5857 1 322 . 1 1 38 38 SER C C 13 171.651 0.01 . 1 . . . . . . . . 5857 1 323 . 1 1 39 39 LYS CA C 13 60.435 0.01 . 1 . . . . . . . . 5857 1 324 . 1 1 39 39 LYS CB C 13 32.857 0.01 . 1 . . . . . . . . 5857 1 325 . 1 1 39 39 LYS CD C 13 29.793 0.01 . 1 . . . . . . . . 5857 1 326 . 1 1 39 39 LYS CE C 13 42.261 0.01 . 1 . . . . . . . . 5857 1 327 . 1 1 39 39 LYS CG C 13 25.460 0.01 . 1 . . . . . . . . 5857 1 328 . 1 1 39 39 LYS H H 1 7.764 0.01 . 1 . . . . . . . . 5857 1 329 . 1 1 39 39 LYS HA H 1 4.055 0.01 . 1 . . . . . . . . 5857 1 330 . 1 1 39 39 LYS HB2 H 1 1.701 0.01 . 2 . . . . . . . . 5857 1 331 . 1 1 39 39 LYS HB3 H 1 1.929 0.01 . 2 . . . . . . . . 5857 1 332 . 1 1 39 39 LYS HE2 H 1 2.919 0.01 . 2 . . . . . . . . 5857 1 333 . 1 1 39 39 LYS HG3 H 1 1.427 0.01 . 2 . . . . . . . . 5857 1 334 . 1 1 39 39 LYS N N 15 122.406 0.01 . 1 . . . . . . . . 5857 1 335 . 1 1 39 39 LYS C C 13 171.555 0.01 . 1 . . . . . . . . 5857 1 336 . 1 1 40 40 ILE CA C 13 66.278 0.01 . 1 . . . . . . . . 5857 1 337 . 1 1 40 40 ILE CB C 13 38.376 0.01 . 1 . . . . . . . . 5857 1 338 . 1 1 40 40 ILE CG1 C 13 28.986 0.01 . 1 . . . . . . . . 5857 1 339 . 1 1 40 40 ILE CG2 C 13 15.386 0.01 . 1 . . . . . . . . 5857 1 340 . 1 1 40 40 ILE H H 1 8.519 0.01 . 1 . . . . . . . . 5857 1 341 . 1 1 40 40 ILE HA H 1 3.521 0.01 . 1 . . . . . . . . 5857 1 342 . 1 1 40 40 ILE HB H 1 1.856 0.01 . 1 . . . . . . . . 5857 1 343 . 1 1 40 40 ILE HD11 H 1 0.751 0.01 . 1 . . . . . . . . 5857 1 344 . 1 1 40 40 ILE HD12 H 1 0.751 0.01 . 1 . . . . . . . . 5857 1 345 . 1 1 40 40 ILE HD13 H 1 0.751 0.01 . 1 . . . . . . . . 5857 1 346 . 1 1 40 40 ILE HG12 H 1 1.012 0.01 . 2 . . . . . . . . 5857 1 347 . 1 1 40 40 ILE N N 15 119.915 0.01 . 1 . . . . . . . . 5857 1 348 . 1 1 40 40 ILE C C 13 173.431 0.01 . 1 . . . . . . . . 5857 1 349 . 1 1 41 41 GLU CB C 13 29.640 0.01 . 1 . . . . . . . . 5857 1 350 . 1 1 41 41 GLU CG C 13 38.311 0.01 . 1 . . . . . . . . 5857 1 351 . 1 1 41 41 GLU H H 1 8.724 0.01 . 1 . . . . . . . . 5857 1 352 . 1 1 41 41 GLU HA H 1 3.854 0.01 . 1 . . . . . . . . 5857 1 353 . 1 1 41 41 GLU HG2 H 1 2.189 0.01 . 2 . . . . . . . . 5857 1 354 . 1 1 41 41 GLU HG3 H 1 2.644 0.01 . 2 . . . . . . . . 5857 1 355 . 1 1 41 41 GLU N N 15 117.224 0.01 . 1 . . . . . . . . 5857 1 356 . 1 1 41 41 GLU C C 13 172.294 0.01 . 1 . . . . . . . . 5857 1 357 . 1 1 42 42 THR CA C 13 55.517 0.01 . 1 . . . . . . . . 5857 1 358 . 1 1 42 42 THR CB C 13 67.161 0.01 . 1 . . . . . . . . 5857 1 359 . 1 1 42 42 THR CG2 C 13 21.732 0.01 . 1 . . . . . . . . 5857 1 360 . 1 1 42 42 THR H H 1 8.180 0.01 . 1 . . . . . . . . 5857 1 361 . 1 1 42 42 THR HA H 1 4.385 0.01 . 1 . . . . . . . . 5857 1 362 . 1 1 42 42 THR HG1 H 1 3.918 0.01 . 1 . . . . . . . . 5857 1 363 . 1 1 42 42 THR HG21 H 1 1.256 0.01 . 1 . . . . . . . . 5857 1 364 . 1 1 42 42 THR HG22 H 1 1.256 0.01 . 1 . . . . . . . . 5857 1 365 . 1 1 42 42 THR HG23 H 1 1.256 0.01 . 1 . . . . . . . . 5857 1 366 . 1 1 42 42 THR N N 15 116.854 0.01 . 1 . . . . . . . . 5857 1 367 . 1 1 42 42 THR C C 13 174.457 0.01 . 1 . . . . . . . . 5857 1 368 . 1 1 43 43 GLU CG C 13 30.092 0.01 . 1 . . . . . . . . 5857 1 369 . 1 1 43 43 GLU H H 1 8.106 0.01 . 1 . . . . . . . . 5857 1 370 . 1 1 43 43 GLU HA H 1 4.048 0.01 . 1 . . . . . . . . 5857 1 371 . 1 1 43 43 GLU HB3 H 1 2.110 0.01 . 2 . . . . . . . . 5857 1 372 . 1 1 43 43 GLU HG2 H 1 2.293 0.01 . 2 . . . . . . . . 5857 1 373 . 1 1 43 43 GLU HG3 H 1 2.521 0.01 . 2 . . . . . . . . 5857 1 374 . 1 1 43 43 GLU N N 15 122.776 0.01 . 1 . . . . . . . . 5857 1 375 . 1 1 43 43 GLU C C 13 164.748 0.01 . 1 . . . . . . . . 5857 1 376 . 1 1 44 44 ILE CA C 13 66.262 0.01 . 1 . . . . . . . . 5857 1 377 . 1 1 44 44 ILE CB C 13 38.803 0.01 . 1 . . . . . . . . 5857 1 378 . 1 1 44 44 ILE CG1 C 13 31.550 0.01 . 1 . . . . . . . . 5857 1 379 . 1 1 44 44 ILE CG2 C 13 14.582 0.01 . 1 . . . . . . . . 5857 1 380 . 1 1 44 44 ILE H H 1 8.579 0.01 . 1 . . . . . . . . 5857 1 381 . 1 1 44 44 ILE HA H 1 3.528 0.01 . 1 . . . . . . . . 5857 1 382 . 1 1 44 44 ILE HB H 1 1.914 0.01 . 1 . . . . . . . . 5857 1 383 . 1 1 44 44 ILE HG21 H 1 0.799 0.01 . 1 . . . . . . . . 5857 1 384 . 1 1 44 44 ILE HG22 H 1 0.799 0.01 . 1 . . . . . . . . 5857 1 385 . 1 1 44 44 ILE HG23 H 1 0.799 0.01 . 1 . . . . . . . . 5857 1 386 . 1 1 44 44 ILE N N 15 119.325 0.01 . 1 . . . . . . . . 5857 1 387 . 1 1 44 44 ILE C C 13 174.163 0.01 . 1 . . . . . . . . 5857 1 388 . 1 1 45 45 LYS CA C 13 59.618 0.01 . 1 . . . . . . . . 5857 1 389 . 1 1 45 45 LYS CB C 13 32.245 0.01 . 1 . . . . . . . . 5857 1 390 . 1 1 45 45 LYS CD C 13 29.488 0.01 . 1 . . . . . . . . 5857 1 391 . 1 1 45 45 LYS CE C 13 42.195 0.01 . 1 . . . . . . . . 5857 1 392 . 1 1 45 45 LYS CG C 13 25.172 0.01 . 1 . . . . . . . . 5857 1 393 . 1 1 45 45 LYS H H 1 7.803 0.01 . 1 . . . . . . . . 5857 1 394 . 1 1 45 45 LYS HA H 1 4.021 0.01 . 1 . . . . . . . . 5857 1 395 . 1 1 45 45 LYS HB2 H 1 1.701 0.01 . 2 . . . . . . . . 5857 1 396 . 1 1 45 45 LYS HB3 H 1 1.945 0.01 . 2 . . . . . . . . 5857 1 397 . 1 1 45 45 LYS HD2 H 1 1.578 0.01 . 2 . . . . . . . . 5857 1 398 . 1 1 45 45 LYS HE2 H 1 2.955 0.01 . 2 . . . . . . . . 5857 1 399 . 1 1 45 45 LYS HG3 H 1 1.456 0.01 . 2 . . . . . . . . 5857 1 400 . 1 1 45 45 LYS N N 15 119.075 0.01 . 1 . . . . . . . . 5857 1 401 . 1 1 46 46 ASN CA C 13 55.110 0.01 . 1 . . . . . . . . 5857 1 402 . 1 1 46 46 ASN CB C 13 38.596 0.01 . 1 . . . . . . . . 5857 1 403 . 1 1 46 46 ASN H H 1 8.219 0.01 . 1 . . . . . . . . 5857 1 404 . 1 1 46 46 ASN HA H 1 4.554 0.01 . 1 . . . . . . . . 5857 1 405 . 1 1 46 46 ASN HB3 H 1 2.884 0.01 . 2 . . . . . . . . 5857 1 406 . 1 1 46 46 ASN N N 15 116.114 0.01 . 1 . . . . . . . . 5857 1 407 . 1 1 46 46 ASN C C 13 173.294 0.01 . 1 . . . . . . . . 5857 1 408 . 1 1 47 47 LYS CA C 13 57.697 0.01 . 1 . . . . . . . . 5857 1 409 . 1 1 47 47 LYS CB C 13 32.440 0.01 . 1 . . . . . . . . 5857 1 410 . 1 1 47 47 LYS CD C 13 28.878 0.01 . 1 . . . . . . . . 5857 1 411 . 1 1 47 47 LYS CE C 13 42.370 0.01 . 1 . . . . . . . . 5857 1 412 . 1 1 47 47 LYS CG C 13 25.208 0.01 . 1 . . . . . . . . 5857 1 413 . 1 1 47 47 LYS H H 1 7.928 0.01 . 1 . . . . . . . . 5857 1 414 . 1 1 47 47 LYS HA H 1 4.231 0.01 . 1 . . . . . . . . 5857 1 415 . 1 1 47 47 LYS HB3 H 1 1.934 0.01 . 2 . . . . . . . . 5857 1 416 . 1 1 47 47 LYS HD3 H 1 1.678 0.01 . 2 . . . . . . . . 5857 1 417 . 1 1 47 47 LYS HE3 H 1 3.010 0.01 . 2 . . . . . . . . 5857 1 418 . 1 1 47 47 LYS HG3 H 1 1.556 0.01 . 2 . . . . . . . . 5857 1 419 . 1 1 47 47 LYS N N 15 118.705 0.01 . 1 . . . . . . . . 5857 1 420 . 1 1 48 48 MET CA C 13 56.700 0.01 . 1 . . . . . . . . 5857 1 421 . 1 1 48 48 MET CG C 13 32.503 0.01 . 1 . . . . . . . . 5857 1 422 . 1 1 48 48 MET H H 1 7.917 0.01 . 1 . . . . . . . . 5857 1 423 . 1 1 48 48 MET HA H 1 4.396 0.01 . 1 . . . . . . . . 5857 1 424 . 1 1 48 48 MET HG2 H 1 2.624 0.01 . 2 . . . . . . . . 5857 1 425 . 1 1 48 48 MET HG3 H 1 2.739 0.01 . 2 . . . . . . . . 5857 1 426 . 1 1 48 48 MET N N 15 117.224 0.01 . 1 . . . . . . . . 5857 1 427 . 1 1 48 48 MET C C 13 172.158 0.01 . 1 . . . . . . . . 5857 1 428 . 1 1 49 49 GLN CA C 13 56.078 0.01 . 1 . . . . . . . . 5857 1 429 . 1 1 49 49 GLN CG C 13 29.321 0.01 . 1 . . . . . . . . 5857 1 430 . 1 1 49 49 GLN H H 1 7.910 0.01 . 1 . . . . . . . . 5857 1 431 . 1 1 49 49 GLN HA H 1 4.322 0.01 . 1 . . . . . . . . 5857 1 432 . 1 1 49 49 GLN HG3 H 1 2.435 0.01 . 2 . . . . . . . . 5857 1 433 . 1 1 49 49 GLN N N 15 117.964 0.01 . 1 . . . . . . . . 5857 1 434 . 1 1 49 49 GLN C C 13 171.800 0.01 . 1 . . . . . . . . 5857 1 435 . 1 1 50 50 GLN CA C 13 56.066 0.01 . 1 . . . . . . . . 5857 1 436 . 1 1 50 50 GLN CG C 13 2.431 0.01 . 1 . . . . . . . . 5857 1 437 . 1 1 50 50 GLN H H 1 8.090 0.01 . 1 . . . . . . . . 5857 1 438 . 1 1 50 50 GLN HA H 1 4.359 0.01 . 1 . . . . . . . . 5857 1 439 . 1 1 50 50 GLN HG3 H 1 2.431 0.01 . 2 . . . . . . . . 5857 1 440 . 1 1 50 50 GLN N N 15 120.555 0.01 . 1 . . . . . . . . 5857 1 441 . 1 1 50 50 GLN C C 13 175.000 0.01 . 1 . . . . . . . . 5857 1 442 . 1 1 51 51 LYS H H 1 7.997 0.01 . 1 . . . . . . . . 5857 1 443 . 1 1 51 51 LYS N N 15 127.588 0.01 . 1 . . . . . . . . 5857 1 444 . 1 1 51 51 LYS C C 13 169.319 0.01 . 1 . . . . . . . . 5857 1 stop_ save_ ######################## # Coupling constants # ######################## save_cc_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode cc_set_1 _Coupling_constant_list.Entry_ID 5857 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5857 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 25 25 THR H . . . . 1 1 25 25 THR HA . . . 9.9 . . 1.0 . . . . . . . . . . . 5857 1 2 3JHNHA . 1 1 26 26 ARG H . . . . 1 1 26 26 ARG HA . . . 7.3 . . 1.0 . . . . . . . . . . . 5857 1 3 3JHNHA . 1 1 27 27 LYS H . . . . 1 1 27 27 LYS HA . . . 5.4 . . 1.0 . . . . . . . . . . . 5857 1 4 3JHNHA . 1 1 28 28 ARG H . . . . 1 1 28 28 ARG HA . . . 5.4 . . 1.0 . . . . . . . . . . . 5857 1 5 3JHNHA . 1 1 29 29 VAL H . . . . 1 1 29 29 VAL HA . . . 6.4 . . 1.0 . . . . . . . . . . . 5857 1 6 3JHNHA . 1 1 31 31 ASP H . . . . 1 1 31 31 ASP HA . . . 3.9 . . 1.0 . . . . . . . . . . . 5857 1 stop_ save_