data_15870 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15870 _Entry.Title ; The domain features of the peripheral stalk subunit H of the methanogenic A1AO ATP synthase and the NMR solution structure of H1-47 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-09 _Entry.Accession_date 2008-07-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Goran Biukovic N. . . 15870 2 Shovanlal Gayen . . . 15870 3 Konstantin Pervushin . . . 15870 4 Gerhard Gruber . . . 15870 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Gerhard gruber, SBS, NTU' . 15870 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15870 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 160 15870 '15N chemical shifts' 49 15870 '1H chemical shifts' 340 15870 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 2 . . 2010-06-02 2008-07-09 update BMRB 'edit assembly name' 15870 1 . . 2009-07-10 2008-07-09 original author 'original release' 15870 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K6I 'BMRB Entry Tracking System' 15870 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15870 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19580766 _Citation.Full_citation . _Citation.Title 'Domain features of the peripheral stalk subunit H of the methanogenic A1AO ATP synthase and the NMR solution structure of H(1-47).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 97 _Citation.Journal_issue 1 _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 286 _Citation.Page_last 294 _Citation.Year 2009 _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 Goran Biukovic . . . 15870 1 2 Shovanlal Gayen . . . 15870 1 3 Konstantin Pervushin . . . 15870 1 4 Gerhard Gruber . . . 15870 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'archaeal ATPase' 15870 1 'F1FO ATP synthase' 15870 1 'Methanocaldococcus jannaschii' 15870 1 'nuclear magnetic resonance' 15870 1 'V1VO ATPase' 15870 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15870 _Assembly.ID 1 _Assembly.Name H1-47_subunit_A_ATP_synthase _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 H1-47_subunit_A_ATP_synthase 1 $H1-47_subunit_A_ATP_synthase A . yes native no no . . . 15870 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H1-47_subunit_A_ATP_synthase _Entity.Sf_category entity _Entity.Sf_framecode H1-47_subunit_A_ATP_synthase _Entity.Entry_ID 15870 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H1-47_subunit_A_ATP_synthase _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGVSVMEAIKEVKLAEEQAV KEIEEAKNRAEQIKAEAIEE AKKLIAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5208.114 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K6I . "The Domain Features Of The Peripheral Stalk Subunit H Of The Methanogenic A1ao Atp Synthase And The Nmr Solution Structure Of H" . . . . . 100.00 56 100.00 100.00 9.49e-20 . . . . 15870 1 2 no GB AAB98215 . "hypothetical protein MJ_0223 [Methanocaldococcus jannaschii DSM 2661]" . . . . . 97.87 104 97.83 97.83 1.15e-16 . . . . 15870 1 3 no SP Q57676 . "RecName: Full=Uncharacterized protein MJ0223" . . . . . 97.87 104 97.83 97.83 1.15e-16 . . . . 15870 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15870 1 2 . GLY . 15870 1 3 . VAL . 15870 1 4 . SER . 15870 1 5 . VAL . 15870 1 6 . MET . 15870 1 7 . GLU . 15870 1 8 . ALA . 15870 1 9 . ILE . 15870 1 10 . LYS . 15870 1 11 . GLU . 15870 1 12 . VAL . 15870 1 13 . LYS . 15870 1 14 . LEU . 15870 1 15 . ALA . 15870 1 16 . GLU . 15870 1 17 . GLU . 15870 1 18 . GLN . 15870 1 19 . ALA . 15870 1 20 . VAL . 15870 1 21 . LYS . 15870 1 22 . GLU . 15870 1 23 . ILE . 15870 1 24 . GLU . 15870 1 25 . GLU . 15870 1 26 . ALA . 15870 1 27 . LYS . 15870 1 28 . ASN . 15870 1 29 . ARG . 15870 1 30 . ALA . 15870 1 31 . GLU . 15870 1 32 . GLN . 15870 1 33 . ILE . 15870 1 34 . LYS . 15870 1 35 . ALA . 15870 1 36 . GLU . 15870 1 37 . ALA . 15870 1 38 . ILE . 15870 1 39 . GLU . 15870 1 40 . GLU . 15870 1 41 . ALA . 15870 1 42 . LYS . 15870 1 43 . LYS . 15870 1 44 . LEU . 15870 1 45 . ILE . 15870 1 46 . ALA . 15870 1 47 . CYS . 15870 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15870 1 . GLY 2 2 15870 1 . VAL 3 3 15870 1 . SER 4 4 15870 1 . VAL 5 5 15870 1 . MET 6 6 15870 1 . GLU 7 7 15870 1 . ALA 8 8 15870 1 . ILE 9 9 15870 1 . LYS 10 10 15870 1 . GLU 11 11 15870 1 . VAL 12 12 15870 1 . LYS 13 13 15870 1 . LEU 14 14 15870 1 . ALA 15 15 15870 1 . GLU 16 16 15870 1 . GLU 17 17 15870 1 . GLN 18 18 15870 1 . ALA 19 19 15870 1 . VAL 20 20 15870 1 . LYS 21 21 15870 1 . GLU 22 22 15870 1 . ILE 23 23 15870 1 . GLU 24 24 15870 1 . GLU 25 25 15870 1 . ALA 26 26 15870 1 . LYS 27 27 15870 1 . ASN 28 28 15870 1 . ARG 29 29 15870 1 . ALA 30 30 15870 1 . GLU 31 31 15870 1 . GLN 32 32 15870 1 . ILE 33 33 15870 1 . LYS 34 34 15870 1 . ALA 35 35 15870 1 . GLU 36 36 15870 1 . ALA 37 37 15870 1 . ILE 38 38 15870 1 . GLU 39 39 15870 1 . GLU 40 40 15870 1 . ALA 41 41 15870 1 . LYS 42 42 15870 1 . LYS 43 43 15870 1 . LEU 44 44 15870 1 . ILE 45 45 15870 1 . ALA 46 46 15870 1 . CYS 47 47 15870 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 15870 _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 $H1-47_subunit_A_ATP_synthase . 2190 plasmid . 'Methanococcus jannaschii' 'Methanococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 15870 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 15870 _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 $H1-47_subunit_A_ATP_synthase . 'recombinant technology' 'E. coli' . . . E. coli Bl21 . . . . . . . . . . . . . . . 'pET9d1-His3 vector' . . . . . . 15870 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15870 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'H1-47 subunit A ATP synthase' '[U-99% 13C; U-99% 15N]' . . 1 $H1-47_subunit_A_ATP_synthase . . '0.5 - 1' . . mM . . . . 15870 1 2 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 15870 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15870 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15870 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15870 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'sample was prepared in 90% H20, 10% D20 containing 25 mM Sodium phosphate buffer, pH 6.5, 0.1% NaN3' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 15870 1 pressure 1 . atm 15870 1 temperature 288 . K 15870 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15870 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details 'Sparky is a graphical NMR assignment and integration program for proteins, nucleic acids, and other polymers' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard 'University of California, San Francisco, CA' . 15870 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15870 1 'peak picking' 15870 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15870 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15870 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15870 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15870 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15870 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15870 3 processing 15870 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15870 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15870 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'torsional angle calculation' 15870 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15870 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Avance 600 MHz equipped with 5 mm triple resonance single axis gradient probe and a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15870 _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 spectrometer_1 Bruker Avance . 600 'Bruker Avance 600 MHz equipped with 5 mm triple resonance single axis gradient probe and a cryoprobe' . . 15870 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 15870 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15870 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15870 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15870 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15870 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15870 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15870 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15870 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15870 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15870 _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 protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15870 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15870 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15870 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15870 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.020 _Assigned_chem_shift_list.Chem_shift_13C_err 0.400 _Assigned_chem_shift_list.Chem_shift_15N_err 0.400 _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 '3D 1H-15N NOESY' . . . 15870 1 2 '3D 1H-13C NOESY' . . . 15870 1 3 '3D CBCA(CO)NH' . . . 15870 1 4 '3D HNCACB' . . . 15870 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15870 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 MET H H 1 8.769 0.020 . 1 . . . . 1 MET H . 15870 1 2 . 1 1 1 1 MET HA H 1 4.510 0.400 . 1 . . . . 1 MET HA . 15870 1 3 . 1 1 1 1 MET HB2 H 1 2.075 0.020 . 2 . . . . 1 MET HB2 . 15870 1 4 . 1 1 1 1 MET HB3 H 1 2.075 0.020 . 2 . . . . 1 MET HB3 . 15870 1 5 . 1 1 1 1 MET HG2 H 1 2.612 0.020 . 2 . . . . 1 MET HG2 . 15870 1 6 . 1 1 1 1 MET HG3 H 1 2.612 0.020 . 2 . . . . 1 MET HG3 . 15870 1 7 . 1 1 1 1 MET CA C 13 55.680 0.400 . 1 . . . . 1 MET CA . 15870 1 8 . 1 1 1 1 MET CB C 13 33.310 0.400 . 1 . . . . 1 MET CB . 15870 1 9 . 1 1 1 1 MET CG C 13 32.450 0.400 . 1 . . . . 1 MET CG . 15870 1 10 . 1 1 1 1 MET N N 15 120.926 0.400 . 1 . . . . 1 MET N . 15870 1 11 . 1 1 2 2 GLY H H 1 8.502 0.020 . 1 . . . . 2 GLY H . 15870 1 12 . 1 1 2 2 GLY HA2 H 1 3.979 0.020 . 2 . . . . 2 GLY HA2 . 15870 1 13 . 1 1 2 2 GLY HA3 H 1 3.979 0.020 . 2 . . . . 2 GLY HA3 . 15870 1 14 . 1 1 2 2 GLY CA C 13 45.600 0.020 . 1 . . . . 2 GLY CA . 15870 1 15 . 1 1 2 2 GLY N N 15 110.343 0.400 . 1 . . . . 2 GLY N . 15870 1 16 . 1 1 3 3 VAL H H 1 8.040 0.020 . 1 . . . . 3 VAL H . 15870 1 17 . 1 1 3 3 VAL HA H 1 4.168 0.020 . 1 . . . . 3 VAL HA . 15870 1 18 . 1 1 3 3 VAL HB H 1 2.076 0.020 . 1 . . . . 3 VAL HB . 15870 1 19 . 1 1 3 3 VAL HG11 H 1 0.918 0.020 . 2 . . . . 3 VAL MG1 . 15870 1 20 . 1 1 3 3 VAL HG12 H 1 0.918 0.020 . 2 . . . . 3 VAL MG1 . 15870 1 21 . 1 1 3 3 VAL HG13 H 1 0.918 0.020 . 2 . . . . 3 VAL MG1 . 15870 1 22 . 1 1 3 3 VAL HG21 H 1 0.918 0.020 . 2 . . . . 3 VAL MG2 . 15870 1 23 . 1 1 3 3 VAL HG22 H 1 0.918 0.020 . 2 . . . . 3 VAL MG2 . 15870 1 24 . 1 1 3 3 VAL HG23 H 1 0.918 0.020 . 2 . . . . 3 VAL MG2 . 15870 1 25 . 1 1 3 3 VAL CA C 13 62.380 0.400 . 1 . . . . 3 VAL CA . 15870 1 26 . 1 1 3 3 VAL CB C 13 33.210 0.400 . 1 . . . . 3 VAL CB . 15870 1 27 . 1 1 3 3 VAL CG1 C 13 21.390 0.400 . 2 . . . . 3 VAL CG1 . 15870 1 28 . 1 1 3 3 VAL CG2 C 13 21.390 0.400 . 2 . . . . 3 VAL CG2 . 15870 1 29 . 1 1 3 3 VAL N N 15 119.136 0.400 . 1 . . . . 3 VAL N . 15870 1 30 . 1 1 4 4 SER H H 1 8.549 0.020 . 1 . . . . 4 SER H . 15870 1 31 . 1 1 4 4 SER HA H 1 4.482 0.020 . 1 . . . . 4 SER HA . 15870 1 32 . 1 1 4 4 SER HB2 H 1 3.878 0.020 . 2 . . . . 4 SER HB2 . 15870 1 33 . 1 1 4 4 SER HB3 H 1 3.878 0.020 . 2 . . . . 4 SER HB3 . 15870 1 34 . 1 1 4 4 SER CA C 13 58.470 0.400 . 1 . . . . 4 SER CA . 15870 1 35 . 1 1 4 4 SER CB C 13 64.880 0.400 . 1 . . . . 4 SER CB . 15870 1 36 . 1 1 4 4 SER N N 15 120.034 0.400 . 1 . . . . 4 SER N . 15870 1 37 . 1 1 5 5 VAL H H 1 8.304 0.020 . 1 . . . . 5 VAL H . 15870 1 38 . 1 1 5 5 VAL HA H 1 4.070 0.020 . 1 . . . . 5 VAL HA . 15870 1 39 . 1 1 5 5 VAL HB H 1 2.090 0.020 . 1 . . . . 5 VAL HB . 15870 1 40 . 1 1 5 5 VAL HG11 H 1 0.943 0.020 . 2 . . . . 5 VAL MG1 . 15870 1 41 . 1 1 5 5 VAL HG12 H 1 0.943 0.020 . 2 . . . . 5 VAL MG1 . 15870 1 42 . 1 1 5 5 VAL HG13 H 1 0.943 0.020 . 2 . . . . 5 VAL MG1 . 15870 1 43 . 1 1 5 5 VAL HG21 H 1 0.943 0.020 . 2 . . . . 5 VAL MG2 . 15870 1 44 . 1 1 5 5 VAL HG22 H 1 0.943 0.020 . 2 . . . . 5 VAL MG2 . 15870 1 45 . 1 1 5 5 VAL HG23 H 1 0.943 0.020 . 2 . . . . 5 VAL MG2 . 15870 1 46 . 1 1 5 5 VAL CA C 13 63.230 0.400 . 1 . . . . 5 VAL CA . 15870 1 47 . 1 1 5 5 VAL CB C 13 32.770 0.400 . 1 . . . . 5 VAL CB . 15870 1 48 . 1 1 5 5 VAL CG1 C 13 21.370 0.400 . 2 . . . . 5 VAL CG1 . 15870 1 49 . 1 1 5 5 VAL CG2 C 13 21.370 0.400 . 2 . . . . 5 VAL CG2 . 15870 1 50 . 1 1 5 5 VAL N N 15 122.497 0.400 . 1 . . . . 5 VAL N . 15870 1 51 . 1 1 6 6 MET H H 1 8.407 0.020 . 1 . . . . 6 MET H . 15870 1 52 . 1 1 6 6 MET HA H 1 4.428 0.020 . 1 . . . . 6 MET HA . 15870 1 53 . 1 1 6 6 MET HB2 H 1 2.052 0.020 . 2 . . . . 6 MET HB2 . 15870 1 54 . 1 1 6 6 MET HB3 H 1 2.052 0.020 . 2 . . . . 6 MET HB3 . 15870 1 55 . 1 1 6 6 MET HG2 H 1 2.555 0.020 . 2 . . . . 6 MET HG2 . 15870 1 56 . 1 1 6 6 MET HG3 H 1 2.555 0.020 . 2 . . . . 6 MET HG3 . 15870 1 57 . 1 1 6 6 MET CA C 13 56.170 0.400 . 1 . . . . 6 MET CA . 15870 1 58 . 1 1 6 6 MET CB C 13 33.270 0.400 . 1 . . . . 6 MET CB . 15870 1 59 . 1 1 6 6 MET CG C 13 32.750 0.400 . 1 . . . . 6 MET CG . 15870 1 60 . 1 1 6 6 MET N N 15 122.782 0.400 . 1 . . . . 6 MET N . 15870 1 61 . 1 1 7 7 GLU H H 1 8.350 0.020 . 1 . . . . 7 GLU H . 15870 1 62 . 1 1 7 7 GLU HA H 1 4.204 0.020 . 1 . . . . 7 GLU HA . 15870 1 63 . 1 1 7 7 GLU HB2 H 1 2.001 0.020 . 2 . . . . 7 GLU HB2 . 15870 1 64 . 1 1 7 7 GLU HB3 H 1 2.001 0.020 . 2 . . . . 7 GLU HB3 . 15870 1 65 . 1 1 7 7 GLU HG2 H 1 2.288 0.020 . 2 . . . . 7 GLU HG2 . 15870 1 66 . 1 1 7 7 GLU HG3 H 1 2.288 0.020 . 2 . . . . 7 GLU HG3 . 15870 1 67 . 1 1 7 7 GLU CA C 13 57.280 0.400 . 1 . . . . 7 GLU CA . 15870 1 68 . 1 1 7 7 GLU CB C 13 30.730 0.400 . 1 . . . . 7 GLU CB . 15870 1 69 . 1 1 7 7 GLU CG C 13 36.570 0.400 . 1 . . . . 7 GLU CG . 15870 1 70 . 1 1 7 7 GLU N N 15 122.264 0.400 . 1 . . . . 7 GLU N . 15870 1 71 . 1 1 8 8 ALA H H 1 8.334 0.020 . 1 . . . . 8 ALA H . 15870 1 72 . 1 1 8 8 ALA HA H 1 4.267 0.020 . 1 . . . . 8 ALA HA . 15870 1 73 . 1 1 8 8 ALA HB1 H 1 1.397 0.020 . 1 . . . . 8 ALA MB . 15870 1 74 . 1 1 8 8 ALA HB2 H 1 1.397 0.020 . 1 . . . . 8 ALA MB . 15870 1 75 . 1 1 8 8 ALA HB3 H 1 1.397 0.020 . 1 . . . . 8 ALA MB . 15870 1 76 . 1 1 8 8 ALA CA C 13 53.180 0.400 . 1 . . . . 8 ALA CA . 15870 1 77 . 1 1 8 8 ALA CB C 13 19.19 0.400 . 1 . . . . 8 ALA CB . 15870 1 78 . 1 1 8 8 ALA N N 15 125.161 0.400 . 1 . . . . 8 ALA N . 15870 1 79 . 1 1 9 9 ILE H H 1 8.149 0.020 . 1 . . . . 9 ILE H . 15870 1 80 . 1 1 9 9 ILE HA H 1 4.048 0.020 . 1 . . . . 9 ILE HA . 15870 1 81 . 1 1 9 9 ILE HB H 1 1.873 0.020 . 1 . . . . 9 ILE HB . 15870 1 82 . 1 1 9 9 ILE HD11 H 1 0.902 0.020 . 1 . . . . 9 ILE MD . 15870 1 83 . 1 1 9 9 ILE HD12 H 1 0.902 0.020 . 1 . . . . 9 ILE MD . 15870 1 84 . 1 1 9 9 ILE HD13 H 1 0.902 0.020 . 1 . . . . 9 ILE MD . 15870 1 85 . 1 1 9 9 ILE HG12 H 1 1.539 0.020 . 2 . . . . 9 ILE HG12 . 15870 1 86 . 1 1 9 9 ILE HG13 H 1 1.539 0.020 . 2 . . . . 9 ILE HG13 . 15870 1 87 . 1 1 9 9 ILE HG21 H 1 1.222 0.020 . 1 . . . . 9 ILE MG . 15870 1 88 . 1 1 9 9 ILE HG22 H 1 1.222 0.020 . 1 . . . . 9 ILE MG . 15870 1 89 . 1 1 9 9 ILE HG23 H 1 1.222 0.020 . 1 . . . . 9 ILE MG . 15870 1 90 . 1 1 9 9 ILE CA C 13 62.030 0.400 . 1 . . . . 9 ILE CA . 15870 1 91 . 1 1 9 9 ILE CB C 13 38.690 0.400 . 1 . . . . 9 ILE CB . 15870 1 92 . 1 1 9 9 ILE CD1 C 13 13.200 0.400 . 1 . . . . 9 ILE CD1 . 15870 1 93 . 1 1 9 9 ILE CG1 C 13 28.240 0.400 . 1 . . . . 9 ILE CG1 . 15870 1 94 . 1 1 9 9 ILE CG2 C 13 17.830 0.400 . 1 . . . . 9 ILE CG2 . 15870 1 95 . 1 1 9 9 ILE N N 15 120.286 0.400 . 1 . . . . 9 ILE N . 15870 1 96 . 1 1 10 10 LYS H H 1 8.282 0.020 . 1 . . . . 10 LYS H . 15870 1 97 . 1 1 10 10 LYS HA H 1 4.233 0.020 . 1 . . . . 10 LYS HA . 15870 1 98 . 1 1 10 10 LYS HB2 H 1 1.829 0.020 . 2 . . . . 10 LYS HB2 . 15870 1 99 . 1 1 10 10 LYS HB3 H 1 1.829 0.020 . 2 . . . . 10 LYS HB3 . 15870 1 100 . 1 1 10 10 LYS HD2 H 1 1.506 0.020 . 2 . . . . 10 LYS HD2 . 15870 1 101 . 1 1 10 10 LYS HD3 H 1 1.506 0.020 . 2 . . . . 10 LYS HD3 . 15870 1 102 . 1 1 10 10 LYS HE2 H 1 2.992 0.020 . 2 . . . . 10 LYS HE2 . 15870 1 103 . 1 1 10 10 LYS HE3 H 1 2.992 0.020 . 2 . . . . 10 LYS HE3 . 15870 1 104 . 1 1 10 10 LYS HG2 H 1 1.416 0.020 . 2 . . . . 10 LYS HG2 . 15870 1 105 . 1 1 10 10 LYS HG3 H 1 1.416 0.020 . 2 . . . . 10 LYS HG3 . 15870 1 106 . 1 1 10 10 LYS CA C 13 57.250 0.400 . 1 . . . . 10 LYS CA . 15870 1 107 . 1 1 10 10 LYS CB C 13 33.240 0.400 . 1 . . . . 10 LYS CB . 15870 1 108 . 1 1 10 10 LYS CD C 13 29.470 0.400 . 1 . . . . 10 LYS CD . 15870 1 109 . 1 1 10 10 LYS CE C 13 42.330 0.400 . 1 . . . . 10 LYS CE . 15870 1 110 . 1 1 10 10 LYS CG C 13 25.070 0.400 . 1 . . . . 10 LYS CG . 15870 1 111 . 1 1 10 10 LYS N N 15 125.057 0.400 . 1 . . . . 10 LYS N . 15870 1 112 . 1 1 11 11 GLU H H 1 8.394 0.020 . 1 . . . . 11 GLU H . 15870 1 113 . 1 1 11 11 GLU HA H 1 4.217 0.020 . 1 . . . . 11 GLU HA . 15870 1 114 . 1 1 11 11 GLU HB2 H 1 2.002 0.020 . 2 . . . . 11 GLU HB2 . 15870 1 115 . 1 1 11 11 GLU HB3 H 1 2.002 0.020 . 2 . . . . 11 GLU HB3 . 15870 1 116 . 1 1 11 11 GLU HG2 H 1 2.282 0.020 . 2 . . . . 11 GLU HG2 . 15870 1 117 . 1 1 11 11 GLU HG3 H 1 2.282 0.020 . 2 . . . . 11 GLU HG3 . 15870 1 118 . 1 1 11 11 GLU CA C 13 57.540 0.400 . 1 . . . . 11 GLU CA . 15870 1 119 . 1 1 11 11 GLU CB C 13 30.700 0.400 . 1 . . . . 11 GLU CB . 15870 1 120 . 1 1 11 11 GLU CG C 13 36.590 0.400 . 1 . . . . 11 GLU CG . 15870 1 121 . 1 1 11 11 GLU N N 15 122.003 0.400 . 1 . . . . 11 GLU N . 15870 1 122 . 1 1 12 12 VAL H H 1 8.220 0.020 . 1 . . . . 12 VAL H . 15870 1 123 . 1 1 12 12 VAL HA H 1 3.988 0.020 . 1 . . . . 12 VAL HA . 15870 1 124 . 1 1 12 12 VAL HB H 1 2.081 0.020 . 1 . . . . 12 VAL HB . 15870 1 125 . 1 1 12 12 VAL HG11 H 1 0.956 0.020 . 2 . . . . 12 VAL MG1 . 15870 1 126 . 1 1 12 12 VAL HG12 H 1 0.956 0.020 . 2 . . . . 12 VAL MG1 . 15870 1 127 . 1 1 12 12 VAL HG13 H 1 0.956 0.020 . 2 . . . . 12 VAL MG1 . 15870 1 128 . 1 1 12 12 VAL HG21 H 1 0.956 0.020 . 2 . . . . 12 VAL MG2 . 15870 1 129 . 1 1 12 12 VAL HG22 H 1 0.956 0.020 . 2 . . . . 12 VAL MG2 . 15870 1 130 . 1 1 12 12 VAL HG23 H 1 0.956 0.020 . 2 . . . . 12 VAL MG2 . 15870 1 131 . 1 1 12 12 VAL CA C 13 63.720 0.400 . 1 . . . . 12 VAL CA . 15870 1 132 . 1 1 12 12 VAL CB C 13 32.680 0.400 . 1 . . . . 12 VAL CB . 15870 1 133 . 1 1 12 12 VAL CG1 C 13 21.660 0.400 . 2 . . . . 12 VAL CG1 . 15870 1 134 . 1 1 12 12 VAL CG2 C 13 21.660 0.400 . 2 . . . . 12 VAL CG2 . 15870 1 135 . 1 1 12 12 VAL N N 15 122.828 0.400 . 1 . . . . 12 VAL N . 15870 1 136 . 1 1 13 13 LYS H H 1 8.385 0.020 . 1 . . . . 13 LYS H . 15870 1 137 . 1 1 13 13 LYS HA H 1 4.316 0.020 . 1 . . . . 13 LYS HA . 15870 1 138 . 1 1 13 13 LYS HB2 H 1 1.815 0.020 . 2 . . . . 13 LYS HB2 . 15870 1 139 . 1 1 13 13 LYS HB3 H 1 1.815 0.020 . 2 . . . . 13 LYS HB3 . 15870 1 140 . 1 1 13 13 LYS HD2 H 1 1.670 0.020 . 2 . . . . 13 LYS HD2 . 15870 1 141 . 1 1 13 13 LYS HD3 H 1 1.670 0.020 . 2 . . . . 13 LYS HD3 . 15870 1 142 . 1 1 13 13 LYS HG2 H 1 1.455 0.020 . 2 . . . . 13 LYS HG2 . 15870 1 143 . 1 1 13 13 LYS HG3 H 1 1.455 0.020 . 2 . . . . 13 LYS HG3 . 15870 1 144 . 1 1 13 13 LYS CA C 13 56.990 0.400 . 1 . . . . 13 LYS CA . 15870 1 145 . 1 1 13 13 LYS CB C 13 33.030 0.400 . 1 . . . . 13 LYS CB . 15870 1 146 . 1 1 13 13 LYS CD C 13 29.300 0.400 . 1 . . . . 13 LYS CD . 15870 1 147 . 1 1 13 13 LYS CE C 13 42.280 0.400 . 1 . . . . 13 LYS CE . 15870 1 148 . 1 1 13 13 LYS CG C 13 25.060 0.400 . 1 . . . . 13 LYS CG . 15870 1 149 . 1 1 13 13 LYS N N 15 124.784 0.400 . 1 . . . . 13 LYS N . 15870 1 150 . 1 1 14 14 LEU H H 1 8.360 0.020 . 1 . . . . 14 LEU H . 15870 1 151 . 1 1 14 14 LEU HA H 1 4.272 0.020 . 1 . . . . 14 LEU HA . 15870 1 152 . 1 1 14 14 LEU HB2 H 1 1.672 0.020 . 2 . . . . 14 LEU HB2 . 15870 1 153 . 1 1 14 14 LEU HB3 H 1 1.672 0.020 . 2 . . . . 14 LEU HB3 . 15870 1 154 . 1 1 14 14 LEU HD11 H 1 0.906 0.020 . 2 . . . . 14 LEU MD1 . 15870 1 155 . 1 1 14 14 LEU HD12 H 1 0.906 0.020 . 2 . . . . 14 LEU MD1 . 15870 1 156 . 1 1 14 14 LEU HD13 H 1 0.906 0.020 . 2 . . . . 14 LEU MD1 . 15870 1 157 . 1 1 14 14 LEU HD21 H 1 0.906 0.020 . 2 . . . . 14 LEU MD2 . 15870 1 158 . 1 1 14 14 LEU HD22 H 1 0.906 0.020 . 2 . . . . 14 LEU MD2 . 15870 1 159 . 1 1 14 14 LEU HD23 H 1 0.906 0.020 . 2 . . . . 14 LEU MD2 . 15870 1 160 . 1 1 14 14 LEU CA C 13 56.450 0.400 . 1 . . . . 14 LEU CA . 15870 1 161 . 1 1 14 14 LEU CB C 13 42.510 0.400 . 1 . . . . 14 LEU CB . 15870 1 162 . 1 1 14 14 LEU CD1 C 13 25.200 0.400 . 2 . . . . 14 LEU CD1 . 15870 1 163 . 1 1 14 14 LEU CD2 C 13 23.680 0.400 . 2 . . . . 14 LEU CD2 . 15870 1 164 . 1 1 14 14 LEU CG C 13 27.470 0.400 . 1 . . . . 14 LEU CG . 15870 1 165 . 1 1 14 14 LEU N N 15 123.256 0.400 . 1 . . . . 14 LEU N . 15870 1 166 . 1 1 15 15 ALA H H 1 8.301 0.020 . 1 . . . . 15 ALA H . 15870 1 167 . 1 1 15 15 ALA HA H 1 4.261 0.020 . 1 . . . . 15 ALA HA . 15870 1 168 . 1 1 15 15 ALA HB1 H 1 1.450 0.020 . 1 . . . . 15 ALA MB . 15870 1 169 . 1 1 15 15 ALA HB2 H 1 1.450 0.020 . 1 . . . . 15 ALA MB . 15870 1 170 . 1 1 15 15 ALA HB3 H 1 1.450 0.020 . 1 . . . . 15 ALA MB . 15870 1 171 . 1 1 15 15 ALA CA C 13 53.810 0.400 . 1 . . . . 15 ALA CA . 15870 1 172 . 1 1 15 15 ALA CB C 13 18.960 0.400 . 1 . . . . 15 ALA CB . 15870 1 173 . 1 1 15 15 ALA N N 15 124.067 0.400 . 1 . . . . 15 ALA N . 15870 1 174 . 1 1 16 16 GLU H H 1 8.441 0.020 . 1 . . . . 16 GLU H . 15870 1 175 . 1 1 16 16 GLU HA H 1 4.195 0.020 . 1 . . . . 16 GLU HA . 15870 1 176 . 1 1 16 16 GLU HB2 H 1 2.077 0.020 . 2 . . . . 16 GLU HB2 . 15870 1 177 . 1 1 16 16 GLU HB3 H 1 2.077 0.020 . 2 . . . . 16 GLU HB3 . 15870 1 178 . 1 1 16 16 GLU HG2 H 1 2.261 0.020 . 2 . . . . 16 GLU HG2 . 15870 1 179 . 1 1 16 16 GLU HG3 H 1 2.390 0.020 . 2 . . . . 16 GLU HG3 . 15870 1 180 . 1 1 16 16 GLU CA C 13 58.190 0.400 . 1 . . . . 16 GLU CA . 15870 1 181 . 1 1 16 16 GLU CB C 13 30.360 0.400 . 1 . . . . 16 GLU CB . 15870 1 182 . 1 1 16 16 GLU CG C 13 36.730 0.400 . 1 . . . . 16 GLU CG . 15870 1 183 . 1 1 16 16 GLU N N 15 120.401 0.400 . 1 . . . . 16 GLU N . 15870 1 184 . 1 1 17 17 GLU H H 1 8.393 0.020 . 1 . . . . 17 GLU H . 15870 1 185 . 1 1 17 17 GLU HA H 1 4.168 0.020 . 1 . . . . 17 GLU HA . 15870 1 186 . 1 1 17 17 GLU HB2 H 1 2.080 0.020 . 2 . . . . 17 GLU HB2 . 15870 1 187 . 1 1 17 17 GLU HB3 H 1 2.080 0.020 . 2 . . . . 17 GLU HB3 . 15870 1 188 . 1 1 17 17 GLU HG2 H 1 2.275 0.020 . 2 . . . . 17 GLU HG2 . 15870 1 189 . 1 1 17 17 GLU HG3 H 1 2.406 0.020 . 2 . . . . 17 GLU HG3 . 15870 1 190 . 1 1 17 17 GLU CA C 13 58.270 0.400 . 1 . . . . 17 GLU CA . 15870 1 191 . 1 1 17 17 GLU CB C 13 30.340 0.400 . 1 . . . . 17 GLU CB . 15870 1 192 . 1 1 17 17 GLU CG C 13 36.820 0.400 . 1 . . . . 17 GLU CG . 15870 1 193 . 1 1 17 17 GLU N N 15 120.884 0.400 . 1 . . . . 17 GLU N . 15870 1 194 . 1 1 18 18 GLN H H 1 8.353 0.020 . 1 . . . . 18 GLN H . 15870 1 195 . 1 1 18 18 GLN HA H 1 4.170 0.020 . 1 . . . . 18 GLN HA . 15870 1 196 . 1 1 18 18 GLN HB2 H 1 2.100 0.020 . 2 . . . . 18 GLN HB2 . 15870 1 197 . 1 1 18 18 GLN HB3 H 1 2.100 0.020 . 2 . . . . 18 GLN HB3 . 15870 1 198 . 1 1 18 18 GLN HE21 H 1 7.747 0.020 . 2 . . . . 18 GLN HE21 . 15870 1 199 . 1 1 18 18 GLN HE22 H 1 6.944 0.020 . 2 . . . . 18 GLN HE22 . 15870 1 200 . 1 1 18 18 GLN HG2 H 1 2.414 0.020 . 2 . . . . 18 GLN HG2 . 15870 1 201 . 1 1 18 18 GLN HG3 H 1 2.414 0.020 . 2 . . . . 18 GLN HG3 . 15870 1 202 . 1 1 18 18 GLN CA C 13 57.410 0.400 . 1 . . . . 18 GLN CA . 15870 1 203 . 1 1 18 18 GLN CB C 13 29.080 0.400 . 1 . . . . 18 GLN CB . 15870 1 204 . 1 1 18 18 GLN CG C 13 33.900 0.400 . 1 . . . . 18 GLN CG . 15870 1 205 . 1 1 18 18 GLN N N 15 120.718 0.400 . 1 . . . . 18 GLN N . 15870 1 206 . 1 1 18 18 GLN NE2 N 15 112.900 0.400 . 1 . . . . 18 GLN NE2 . 15870 1 207 . 1 1 19 19 ALA H H 1 8.191 0.020 . 1 . . . . 19 ALA H . 15870 1 208 . 1 1 19 19 ALA HA H 1 4.272 0.020 . 1 . . . . 19 ALA HA . 15870 1 209 . 1 1 19 19 ALA HB1 H 1 1.481 0.020 . 1 . . . . 19 ALA MB . 15870 1 210 . 1 1 19 19 ALA HB2 H 1 1.481 0.020 . 1 . . . . 19 ALA MB . 15870 1 211 . 1 1 19 19 ALA HB3 H 1 1.481 0.020 . 1 . . . . 19 ALA MB . 15870 1 212 . 1 1 19 19 ALA CA C 13 54.310 0.400 . 1 . . . . 19 ALA CA . 15870 1 213 . 1 1 19 19 ALA CB C 13 18.820 0.400 . 1 . . . . 19 ALA CB . 15870 1 214 . 1 1 19 19 ALA N N 15 123.787 0.400 . 1 . . . . 19 ALA N . 15870 1 215 . 1 1 20 20 VAL H H 1 8.000 0.020 . 1 . . . . 20 VAL H . 15870 1 216 . 1 1 20 20 VAL HA H 1 3.857 0.020 . 1 . . . . 20 VAL HA . 15870 1 217 . 1 1 20 20 VAL HB H 1 2.128 0.020 . 1 . . . . 20 VAL HB . 15870 1 218 . 1 1 20 20 VAL HG11 H 1 1.027 0.020 . 2 . . . . 20 VAL MG1 . 15870 1 219 . 1 1 20 20 VAL HG12 H 1 1.027 0.020 . 2 . . . . 20 VAL MG1 . 15870 1 220 . 1 1 20 20 VAL HG13 H 1 1.027 0.020 . 2 . . . . 20 VAL MG1 . 15870 1 221 . 1 1 20 20 VAL HG21 H 1 1.027 0.020 . 2 . . . . 20 VAL MG2 . 15870 1 222 . 1 1 20 20 VAL HG22 H 1 1.027 0.020 . 2 . . . . 20 VAL MG2 . 15870 1 223 . 1 1 20 20 VAL HG23 H 1 1.027 0.020 . 2 . . . . 20 VAL MG2 . 15870 1 224 . 1 1 20 20 VAL CA C 13 64.950 0.400 . 1 . . . . 20 VAL CA . 15870 1 225 . 1 1 20 20 VAL CB C 13 32.620 0.400 . 1 . . . . 20 VAL CB . 15870 1 226 . 1 1 20 20 VAL CG1 C 13 22.180 0.400 . 2 . . . . 20 VAL CG1 . 15870 1 227 . 1 1 20 20 VAL CG2 C 13 22.180 0.400 . 2 . . . . 20 VAL CG2 . 15870 1 228 . 1 1 20 20 VAL N N 15 118.988 0.400 . 1 . . . . 20 VAL N . 15870 1 229 . 1 1 21 21 LYS H H 1 8.117 0.020 . 1 . . . . 21 LYS H . 15870 1 230 . 1 1 21 21 LYS HA H 1 4.197 0.020 . 1 . . . . 21 LYS HA . 15870 1 231 . 1 1 21 21 LYS HB2 H 1 1.895 0.020 . 2 . . . . 21 LYS HB2 . 15870 1 232 . 1 1 21 21 LYS HB3 H 1 1.895 0.020 . 2 . . . . 21 LYS HB3 . 15870 1 233 . 1 1 21 21 LYS HD2 H 1 1.711 0.020 . 2 . . . . 21 LYS HD2 . 15870 1 234 . 1 1 21 21 LYS HD3 H 1 1.711 0.020 . 2 . . . . 21 LYS HD3 . 15870 1 235 . 1 1 21 21 LYS HE2 H 1 2.997 0.020 . 2 . . . . 21 LYS HE2 . 15870 1 236 . 1 1 21 21 LYS HE3 H 1 2.997 0.020 . 2 . . . . 21 LYS HE3 . 15870 1 237 . 1 1 21 21 LYS HG2 H 1 1.476 0.020 . 2 . . . . 21 LYS HG2 . 15870 1 238 . 1 1 21 21 LYS HG3 H 1 1.476 0.020 . 2 . . . . 21 LYS HG3 . 15870 1 239 . 1 1 21 21 LYS CA C 13 58.390 0.400 . 1 . . . . 21 LYS CA . 15870 1 240 . 1 1 21 21 LYS CB C 13 32.910 0.400 . 1 . . . . 21 LYS CB . 15870 1 241 . 1 1 21 21 LYS CD C 13 29.530 0.400 . 1 . . . . 21 LYS CD . 15870 1 242 . 1 1 21 21 LYS CE C 13 42.420 0.400 . 1 . . . . 21 LYS CE . 15870 1 243 . 1 1 21 21 LYS CG C 13 25.070 0.400 . 1 . . . . 21 LYS CG . 15870 1 244 . 1 1 21 21 LYS N N 15 123.022 0.400 . 1 . . . . 21 LYS N . 15870 1 245 . 1 1 22 22 GLU H H 1 8.308 0.020 . 1 . . . . 22 GLU H . 15870 1 246 . 1 1 22 22 GLU HA H 1 4.173 0.020 . 1 . . . . 22 GLU HA . 15870 1 247 . 1 1 22 22 GLU HB2 H 1 2.088 0.020 . 2 . . . . 22 GLU HB2 . 15870 1 248 . 1 1 22 22 GLU HB3 H 1 2.088 0.020 . 2 . . . . 22 GLU HB3 . 15870 1 249 . 1 1 22 22 GLU HG2 H 1 2.290 0.020 . 2 . . . . 22 GLU HG2 . 15870 1 250 . 1 1 22 22 GLU HG3 H 1 2.417 0.020 . 2 . . . . 22 GLU HG3 . 15870 1 251 . 1 1 22 22 GLU CA C 13 58.720 0.400 . 1 . . . . 22 GLU CA . 15870 1 252 . 1 1 22 22 GLU CB C 13 29.900 0.400 . 1 . . . . 22 GLU CB . 15870 1 253 . 1 1 22 22 GLU CG C 13 36.730 0.400 . 1 . . . . 22 GLU CG . 15870 1 254 . 1 1 22 22 GLU N N 15 120.162 0.400 . 1 . . . . 22 GLU N . 15870 1 255 . 1 1 23 23 ILE H H 1 7.994 0.020 . 1 . . . . 23 ILE H . 15870 1 256 . 1 1 23 23 ILE HA H 1 3.931 0.020 . 1 . . . . 23 ILE HA . 15870 1 257 . 1 1 23 23 ILE HB H 1 2.001 0.020 . 1 . . . . 23 ILE HB . 15870 1 258 . 1 1 23 23 ILE HD11 H 1 0.930 0.020 . 1 . . . . 23 ILE MD . 15870 1 259 . 1 1 23 23 ILE HD12 H 1 0.930 0.020 . 1 . . . . 23 ILE MD . 15870 1 260 . 1 1 23 23 ILE HD13 H 1 0.930 0.020 . 1 . . . . 23 ILE MD . 15870 1 261 . 1 1 23 23 ILE HG12 H 1 1.678 0.020 . 2 . . . . 23 ILE HG12 . 15870 1 262 . 1 1 23 23 ILE HG13 H 1 1.678 0.020 . 2 . . . . 23 ILE HG13 . 15870 1 263 . 1 1 23 23 ILE HG21 H 1 1.209 0.020 . 1 . . . . 23 ILE MG . 15870 1 264 . 1 1 23 23 ILE HG22 H 1 1.209 0.020 . 1 . . . . 23 ILE MG . 15870 1 265 . 1 1 23 23 ILE HG23 H 1 1.209 0.020 . 1 . . . . 23 ILE MG . 15870 1 266 . 1 1 23 23 ILE CA C 13 63.670 0.400 . 1 . . . . 23 ILE CA . 15870 1 267 . 1 1 23 23 ILE CB C 13 38.420 0.400 . 1 . . . . 23 ILE CB . 15870 1 268 . 1 1 23 23 ILE CD1 C 13 13.132 0.400 . 1 . . . . 23 ILE CD1 . 15870 1 269 . 1 1 23 23 ILE CG1 C 13 28.590 0.400 . 1 . . . . 23 ILE CG1 . 15870 1 270 . 1 1 23 23 ILE CG2 C 13 17.660 0.400 . 1 . . . . 23 ILE CG2 . 15870 1 271 . 1 1 23 23 ILE N N 15 121.937 0.400 . 1 . . . . 23 ILE N . 15870 1 272 . 1 1 24 24 GLU H H 1 8.261 0.020 . 1 . . . . 24 GLU H . 15870 1 273 . 1 1 24 24 GLU HA H 1 4.131 0.020 . 1 . . . . 24 GLU HA . 15870 1 274 . 1 1 24 24 GLU HB2 H 1 2.094 0.020 . 2 . . . . 24 GLU HB2 . 15870 1 275 . 1 1 24 24 GLU HB3 H 1 2.094 0.020 . 2 . . . . 24 GLU HB3 . 15870 1 276 . 1 1 24 24 GLU HG2 H 1 2.320 0.020 . 2 . . . . 24 GLU HG2 . 15870 1 277 . 1 1 24 24 GLU HG3 H 1 2.320 0.020 . 2 . . . . 24 GLU HG3 . 15870 1 278 . 1 1 24 24 GLU CA C 13 58.680 0.400 . 1 . . . . 24 GLU CA . 15870 1 279 . 1 1 24 24 GLU CB C 13 29.970 0.400 . 1 . . . . 24 GLU CB . 15870 1 280 . 1 1 24 24 GLU CG C 13 36.360 0.400 . 1 . . . . 24 GLU CG . 15870 1 281 . 1 1 24 24 GLU N N 15 122.682 0.400 . 1 . . . . 24 GLU N . 15870 1 282 . 1 1 25 25 GLU H H 1 8.537 0.020 . 1 . . . . 25 GLU H . 15870 1 283 . 1 1 25 25 GLU HA H 1 4.140 0.020 . 1 . . . . 25 GLU HA . 15870 1 284 . 1 1 25 25 GLU HB2 H 1 2.094 0.020 . 2 . . . . 25 GLU HB2 . 15870 1 285 . 1 1 25 25 GLU HB3 H 1 2.094 0.020 . 2 . . . . 25 GLU HB3 . 15870 1 286 . 1 1 25 25 GLU HG2 H 1 2.320 0.020 . 2 . . . . 25 GLU HG2 . 15870 1 287 . 1 1 25 25 GLU HG3 H 1 2.320 0.020 . 2 . . . . 25 GLU HG3 . 15870 1 288 . 1 1 25 25 GLU CA C 13 58.780 0.400 . 1 . . . . 25 GLU CA . 15870 1 289 . 1 1 25 25 GLU CB C 13 29.970 0.400 . 1 . . . . 25 GLU CB . 15870 1 290 . 1 1 25 25 GLU CG C 13 36.620 0.400 . 1 . . . . 25 GLU CG . 15870 1 291 . 1 1 25 25 GLU N N 15 120.605 0.400 . 1 . . . . 25 GLU N . 15870 1 292 . 1 1 26 26 ALA H H 1 8.129 0.020 . 1 . . . . 26 ALA H . 15870 1 293 . 1 1 26 26 ALA HA H 1 4.166 0.020 . 1 . . . . 26 ALA HA . 15870 1 294 . 1 1 26 26 ALA HB1 H 1 1.516 0.020 . 1 . . . . 26 ALA MB . 15870 1 295 . 1 1 26 26 ALA HB2 H 1 1.516 0.020 . 1 . . . . 26 ALA MB . 15870 1 296 . 1 1 26 26 ALA HB3 H 1 1.516 0.020 . 1 . . . . 26 ALA MB . 15870 1 297 . 1 1 26 26 ALA CA C 13 55.230 0.400 . 1 . . . . 26 ALA CA . 15870 1 298 . 1 1 26 26 ALA CB C 13 18.470 0.400 . 1 . . . . 26 ALA CB . 15870 1 299 . 1 1 26 26 ALA N N 15 122.943 0.400 . 1 . . . . 26 ALA N . 15870 1 300 . 1 1 27 27 LYS H H 1 8.120 0.020 . 1 . . . . 27 LYS H . 15870 1 301 . 1 1 27 27 LYS HA H 1 4.175 0.020 . 1 . . . . 27 LYS HA . 15870 1 302 . 1 1 27 27 LYS HB2 H 1 1.926 0.020 . 2 . . . . 27 LYS HB2 . 15870 1 303 . 1 1 27 27 LYS HB3 H 1 1.926 0.020 . 2 . . . . 27 LYS HB3 . 15870 1 304 . 1 1 27 27 LYS HD2 H 1 1.540 0.020 . 2 . . . . 27 LYS HD2 . 15870 1 305 . 1 1 27 27 LYS HD3 H 1 1.540 0.020 . 2 . . . . 27 LYS HD3 . 15870 1 306 . 1 1 27 27 LYS HE2 H 1 2.962 0.020 . 2 . . . . 27 LYS HE2 . 15870 1 307 . 1 1 27 27 LYS HE3 H 1 2.962 0.020 . 2 . . . . 27 LYS HE3 . 15870 1 308 . 1 1 27 27 LYS HG2 H 1 1.417 0.020 . 2 . . . . 27 LYS HG2 . 15870 1 309 . 1 1 27 27 LYS HG3 H 1 1.417 0.020 . 2 . . . . 27 LYS HG3 . 15870 1 310 . 1 1 27 27 LYS CA C 13 58.830 0.400 . 1 . . . . 27 LYS CA . 15870 1 311 . 1 1 27 27 LYS CB C 13 32.610 0.400 . 1 . . . . 27 LYS CB . 15870 1 312 . 1 1 27 27 LYS CD C 13 29.650 0.400 . 1 . . . . 27 LYS CD . 15870 1 313 . 1 1 27 27 LYS CE C 13 42.310 0.400 . 1 . . . . 27 LYS CE . 15870 1 314 . 1 1 27 27 LYS CG C 13 25.200 0.400 . 1 . . . . 27 LYS CG . 15870 1 315 . 1 1 27 27 LYS N N 15 120.716 0.400 . 1 . . . . 27 LYS N . 15870 1 316 . 1 1 28 28 ASN H H 1 8.310 0.020 . 1 . . . . 28 ASN H . 15870 1 317 . 1 1 28 28 ASN HA H 1 4.575 0.020 . 1 . . . . 28 ASN HA . 15870 1 318 . 1 1 28 28 ASN HB2 H 1 2.887 0.020 . 2 . . . . 28 ASN HB2 . 15870 1 319 . 1 1 28 28 ASN HB3 H 1 2.887 0.020 . 2 . . . . 28 ASN HB3 . 15870 1 320 . 1 1 28 28 ASN HD21 H 1 7.736 0.020 . 2 . . . . 28 ASN HD21 . 15870 1 321 . 1 1 28 28 ASN HD22 H 1 6.953 0.020 . 2 . . . . 28 ASN HD22 . 15870 1 322 . 1 1 28 28 ASN CA C 13 55.350 0.400 . 1 . . . . 28 ASN CA . 15870 1 323 . 1 1 28 28 ASN CB C 13 38.420 0.400 . 1 . . . . 28 ASN CB . 15870 1 324 . 1 1 28 28 ASN N N 15 118.724 0.400 . 1 . . . . 28 ASN N . 15870 1 325 . 1 1 28 28 ASN ND2 N 15 112.900 0.400 . 1 . . . . 28 ASN ND2 . 15870 1 326 . 1 1 29 29 ARG H H 1 8.301 0.020 . 1 . . . . 29 ARG H . 15870 1 327 . 1 1 29 29 ARG HA H 1 4.191 0.020 . 1 . . . . 29 ARG HA . 15870 1 328 . 1 1 29 29 ARG HB2 H 1 1.927 0.020 . 2 . . . . 29 ARG HB2 . 15870 1 329 . 1 1 29 29 ARG HB3 H 1 1.927 0.020 . 2 . . . . 29 ARG HB3 . 15870 1 330 . 1 1 29 29 ARG HD2 H 1 3.243 0.020 . 2 . . . . 29 ARG HD2 . 15870 1 331 . 1 1 29 29 ARG HD3 H 1 3.243 0.020 . 2 . . . . 29 ARG HD3 . 15870 1 332 . 1 1 29 29 ARG HG2 H 1 1.754 0.020 . 2 . . . . 29 ARG HG2 . 15870 1 333 . 1 1 29 29 ARG HG3 H 1 1.703 0.020 . 2 . . . . 29 ARG HG3 . 15870 1 334 . 1 1 29 29 ARG CA C 13 58.390 0.400 . 1 . . . . 29 ARG CA . 15870 1 335 . 1 1 29 29 ARG CB C 13 30.510 0.400 . 1 . . . . 29 ARG CB . 15870 1 336 . 1 1 29 29 ARG CD C 13 43.420 0.400 . 1 . . . . 29 ARG CD . 15870 1 337 . 1 1 29 29 ARG CG C 13 27.530 0.400 . 1 . . . . 29 ARG CG . 15870 1 338 . 1 1 30 30 ALA H H 1 8.110 0.020 . 1 . . . . 30 ALA H . 15870 1 339 . 1 1 30 30 ALA HA H 1 4.175 0.020 . 1 . . . . 30 ALA HA . 15870 1 340 . 1 1 30 30 ALA HB1 H 1 1.522 0.020 . 1 . . . . 30 ALA MB . 15870 1 341 . 1 1 30 30 ALA HB2 H 1 1.522 0.020 . 1 . . . . 30 ALA MB . 15870 1 342 . 1 1 30 30 ALA HB3 H 1 1.522 0.020 . 1 . . . . 30 ALA MB . 15870 1 343 . 1 1 30 30 ALA CA C 13 55.230 0.400 . 1 . . . . 30 ALA CA . 15870 1 344 . 1 1 30 30 ALA CB C 13 18.560 0.400 . 1 . . . . 30 ALA CB . 15870 1 345 . 1 1 30 30 ALA N N 15 122.173 0.400 . 1 . . . . 30 ALA N . 15870 1 346 . 1 1 31 31 GLU H H 1 8.230 0.020 . 1 . . . . 31 GLU H . 15870 1 347 . 1 1 31 31 GLU HA H 1 4.160 0.020 . 1 . . . . 31 GLU HA . 15870 1 348 . 1 1 31 31 GLU HB2 H 1 2.113 0.020 . 2 . . . . 31 GLU HB2 . 15870 1 349 . 1 1 31 31 GLU HB3 H 1 2.113 0.020 . 2 . . . . 31 GLU HB3 . 15870 1 350 . 1 1 31 31 GLU HG2 H 1 2.375 0.020 . 2 . . . . 31 GLU HG2 . 15870 1 351 . 1 1 31 31 GLU HG3 H 1 2.375 0.020 . 2 . . . . 31 GLU HG3 . 15870 1 352 . 1 1 31 31 GLU CA C 13 58.380 0.400 . 1 . . . . 31 GLU CA . 15870 1 353 . 1 1 31 31 GLU CB C 13 29.830 0.400 . 1 . . . . 31 GLU CB . 15870 1 354 . 1 1 31 31 GLU CG C 13 36.610 0.400 . 1 . . . . 31 GLU CG . 15870 1 355 . 1 1 31 31 GLU N N 15 118.620 0.400 . 1 . . . . 31 GLU N . 15870 1 356 . 1 1 32 32 GLN H H 1 8.160 0.020 . 1 . . . . 32 GLN H . 15870 1 357 . 1 1 32 32 GLN HA H 1 4.214 0.020 . 1 . . . . 32 GLN HA . 15870 1 358 . 1 1 32 32 GLN HB2 H 1 2.163 0.020 . 2 . . . . 32 GLN HB2 . 15870 1 359 . 1 1 32 32 GLN HB3 H 1 2.163 0.020 . 2 . . . . 32 GLN HB3 . 15870 1 360 . 1 1 32 32 GLN HE21 H 1 7.694 0.020 . 2 . . . . 32 GLN HE21 . 15870 1 361 . 1 1 32 32 GLN HE22 H 1 6.895 0.020 . 2 . . . . 32 GLN HE22 . 15870 1 362 . 1 1 32 32 GLN HG2 H 1 2.386 0.020 . 2 . . . . 32 GLN HG2 . 15870 1 363 . 1 1 32 32 GLN HG3 H 1 2.467 0.020 . 2 . . . . 32 GLN HG3 . 15870 1 364 . 1 1 32 32 GLN CA C 13 58.100 0.400 . 1 . . . . 32 GLN CA . 15870 1 365 . 1 1 32 32 GLN CB C 13 28.880 0.400 . 1 . . . . 32 GLN CB . 15870 1 366 . 1 1 32 32 GLN CG C 13 33.820 0.400 . 1 . . . . 32 GLN CG . 15870 1 367 . 1 1 32 32 GLN N N 15 121.642 0.400 . 1 . . . . 32 GLN N . 15870 1 368 . 1 1 32 32 GLN NE2 N 15 112.600 0.400 . 1 . . . . 32 GLN NE2 . 15870 1 369 . 1 1 33 33 ILE H H 1 8.180 0.020 . 1 . . . . 33 ILE H . 15870 1 370 . 1 1 33 33 ILE HA H 1 3.927 0.020 . 1 . . . . 33 ILE HA . 15870 1 371 . 1 1 33 33 ILE HB H 1 1.891 0.020 . 1 . . . . 33 ILE HB . 15870 1 372 . 1 1 33 33 ILE HD11 H 1 0.921 0.020 . 1 . . . . 33 ILE MD . 15870 1 373 . 1 1 33 33 ILE HD12 H 1 0.921 0.020 . 1 . . . . 33 ILE MD . 15870 1 374 . 1 1 33 33 ILE HD13 H 1 0.921 0.020 . 1 . . . . 33 ILE MD . 15870 1 375 . 1 1 33 33 ILE HG12 H 1 1.638 0.020 . 2 . . . . 33 ILE HG12 . 15870 1 376 . 1 1 33 33 ILE HG13 H 1 1.638 0.020 . 2 . . . . 33 ILE HG13 . 15870 1 377 . 1 1 33 33 ILE HG21 H 1 1.206 0.020 . 1 . . . . 33 ILE MG . 15870 1 378 . 1 1 33 33 ILE HG22 H 1 1.206 0.020 . 1 . . . . 33 ILE MG . 15870 1 379 . 1 1 33 33 ILE HG23 H 1 1.206 0.020 . 1 . . . . 33 ILE MG . 15870 1 380 . 1 1 33 33 ILE CA C 13 63.620 0.400 . 1 . . . . 33 ILE CA . 15870 1 381 . 1 1 33 33 ILE CB C 13 38.530 0.400 . 1 . . . . 33 ILE CB . 15870 1 382 . 1 1 33 33 ILE CD1 C 13 13.310 0.400 . 1 . . . . 33 ILE CD1 . 15870 1 383 . 1 1 33 33 ILE CG1 C 13 28.370 0.400 . 1 . . . . 33 ILE CG1 . 15870 1 384 . 1 1 33 33 ILE CG2 C 13 17.640 0.400 . 1 . . . . 33 ILE CG2 . 15870 1 385 . 1 1 33 33 ILE N N 15 121.132 0.400 . 1 . . . . 33 ILE N . 15870 1 386 . 1 1 34 34 LYS H H 1 7.964 0.020 . 1 . . . . 34 LYS H . 15870 1 387 . 1 1 34 34 LYS HA H 1 4.186 0.020 . 1 . . . . 34 LYS HA . 15870 1 388 . 1 1 34 34 LYS HB2 H 1 1.892 0.020 . 2 . . . . 34 LYS HB2 . 15870 1 389 . 1 1 34 34 LYS HB3 H 1 1.892 0.020 . 2 . . . . 34 LYS HB3 . 15870 1 390 . 1 1 34 34 LYS HD2 H 1 1.537 0.020 . 2 . . . . 34 LYS HD2 . 15870 1 391 . 1 1 34 34 LYS HD3 H 1 1.537 0.020 . 2 . . . . 34 LYS HD3 . 15870 1 392 . 1 1 34 34 LYS HE2 H 1 2.978 0.020 . 2 . . . . 34 LYS HE2 . 15870 1 393 . 1 1 34 34 LYS HE3 H 1 2.978 0.020 . 2 . . . . 34 LYS HE3 . 15870 1 394 . 1 1 34 34 LYS HG2 H 1 1.450 0.020 . 2 . . . . 34 LYS HG2 . 15870 1 395 . 1 1 34 34 LYS HG3 H 1 1.450 0.020 . 2 . . . . 34 LYS HG3 . 15870 1 396 . 1 1 34 34 LYS CA C 13 58.380 0.400 . 1 . . . . 34 LYS CA . 15870 1 397 . 1 1 34 34 LYS CB C 13 33.120 0.400 . 1 . . . . 34 LYS CB . 15870 1 398 . 1 1 34 34 LYS CD C 13 29.650 0.400 . 1 . . . . 34 LYS CD . 15870 1 399 . 1 1 34 34 LYS CE C 13 42.280 0.400 . 1 . . . . 34 LYS CE . 15870 1 400 . 1 1 34 34 LYS CG C 13 25.250 0.400 . 1 . . . . 34 LYS CG . 15870 1 401 . 1 1 34 34 LYS N N 15 122.920 0.400 . 1 . . . . 34 LYS N . 15870 1 402 . 1 1 35 35 ALA H H 1 8.215 0.020 . 1 . . . . 35 ALA H . 15870 1 403 . 1 1 35 35 ALA HA H 1 4.178 0.020 . 1 . . . . 35 ALA HA . 15870 1 404 . 1 1 35 35 ALA HB1 H 1 1.509 0.020 . 1 . . . . 35 ALA MB . 15870 1 405 . 1 1 35 35 ALA HB2 H 1 1.509 0.020 . 1 . . . . 35 ALA MB . 15870 1 406 . 1 1 35 35 ALA HB3 H 1 1.509 0.020 . 1 . . . . 35 ALA MB . 15870 1 407 . 1 1 35 35 ALA CA C 13 54.890 0.400 . 1 . . . . 35 ALA CA . 15870 1 408 . 1 1 35 35 ALA CB C 13 18.710 0.400 . 1 . . . . 35 ALA CB . 15870 1 409 . 1 1 35 35 ALA N N 15 123.352 0.400 . 1 . . . . 35 ALA N . 15870 1 410 . 1 1 36 36 GLU H H 1 8.434 0.020 . 1 . . . . 36 GLU H . 15870 1 411 . 1 1 36 36 GLU HA H 1 4.145 0.020 . 1 . . . . 36 GLU HA . 15870 1 412 . 1 1 36 36 GLU HB2 H 1 2.075 0.020 . 2 . . . . 36 GLU HB2 . 15870 1 413 . 1 1 36 36 GLU HB3 H 1 2.075 0.020 . 2 . . . . 36 GLU HB3 . 15870 1 414 . 1 1 36 36 GLU HG2 H 1 2.303 0.020 . 2 . . . . 36 GLU HG2 . 15870 1 415 . 1 1 36 36 GLU HG3 H 1 2.466 0.020 . 2 . . . . 36 GLU HG3 . 15870 1 416 . 1 1 36 36 GLU CA C 13 58.360 0.400 . 1 . . . . 36 GLU CA . 15870 1 417 . 1 1 36 36 GLU CB C 13 30.010 0.400 . 1 . . . . 36 GLU CB . 15870 1 418 . 1 1 36 36 GLU CG C 13 36.800 0.400 . 1 . . . . 36 GLU CG . 15870 1 419 . 1 1 36 36 GLU N N 15 119.725 0.400 . 1 . . . . 36 GLU N . 15870 1 420 . 1 1 37 37 ALA H H 1 8.084 0.020 . 1 . . . . 37 ALA H . 15870 1 421 . 1 1 37 37 ALA HA H 1 4.285 0.020 . 1 . . . . 37 ALA HA . 15870 1 422 . 1 1 37 37 ALA HB1 H 1 1.507 0.020 . 1 . . . . 37 ALA MB . 15870 1 423 . 1 1 37 37 ALA HB2 H 1 1.507 0.020 . 1 . . . . 37 ALA MB . 15870 1 424 . 1 1 37 37 ALA HB3 H 1 1.507 0.020 . 1 . . . . 37 ALA MB . 15870 1 425 . 1 1 37 37 ALA CA C 13 54.440 0.400 . 1 . . . . 37 ALA CA . 15870 1 426 . 1 1 37 37 ALA CB C 13 18.640 0.400 . 1 . . . . 37 ALA CB . 15870 1 427 . 1 1 37 37 ALA N N 15 123.710 0.400 . 1 . . . . 37 ALA N . 15870 1 428 . 1 1 38 38 ILE H H 1 7.997 0.020 . 1 . . . . 38 ILE H . 15870 1 429 . 1 1 38 38 ILE HA H 1 3.953 0.020 . 1 . . . . 38 ILE HA . 15870 1 430 . 1 1 38 38 ILE HB H 1 1.969 0.020 . 1 . . . . 38 ILE HB . 15870 1 431 . 1 1 38 38 ILE HD11 H 1 0.914 0.020 . 1 . . . . 38 ILE MD . 15870 1 432 . 1 1 38 38 ILE HD12 H 1 0.914 0.020 . 1 . . . . 38 ILE MD . 15870 1 433 . 1 1 38 38 ILE HD13 H 1 0.914 0.020 . 1 . . . . 38 ILE MD . 15870 1 434 . 1 1 38 38 ILE HG12 H 1 1.658 0.020 . 2 . . . . 38 ILE HG12 . 15870 1 435 . 1 1 38 38 ILE HG13 H 1 1.658 0.020 . 2 . . . . 38 ILE HG13 . 15870 1 436 . 1 1 38 38 ILE HG21 H 1 1.203 0.020 . 1 . . . . 38 ILE MG . 15870 1 437 . 1 1 38 38 ILE HG22 H 1 1.203 0.020 . 1 . . . . 38 ILE MG . 15870 1 438 . 1 1 38 38 ILE HG23 H 1 1.203 0.020 . 1 . . . . 38 ILE MG . 15870 1 439 . 1 1 38 38 ILE CA C 13 63.450 0.400 . 1 . . . . 38 ILE CA . 15870 1 440 . 1 1 38 38 ILE CB C 13 38.540 0.400 . 1 . . . . 38 ILE CB . 15870 1 441 . 1 1 38 38 ILE CD1 C 13 13.370 0.400 . 1 . . . . 38 ILE CD1 . 15870 1 442 . 1 1 38 38 ILE CG1 C 13 28.030 0.400 . 1 . . . . 38 ILE CG1 . 15870 1 443 . 1 1 38 38 ILE CG2 C 13 17.780 0.400 . 1 . . . . 38 ILE CG2 . 15870 1 444 . 1 1 38 38 ILE N N 15 120.850 0.400 . 1 . . . . 38 ILE N . 15870 1 445 . 1 1 39 39 GLU H H 1 8.100 0.020 . 1 . . . . 39 GLU H . 15870 1 446 . 1 1 39 39 GLU HA H 1 4.156 0.020 . 1 . . . . 39 GLU HA . 15870 1 447 . 1 1 39 39 GLU HB2 H 1 2.071 0.020 . 2 . . . . 39 GLU HB2 . 15870 1 448 . 1 1 39 39 GLU HB3 H 1 2.071 0.020 . 2 . . . . 39 GLU HB3 . 15870 1 449 . 1 1 39 39 GLU HG2 H 1 2.317 0.020 . 2 . . . . 39 GLU HG2 . 15870 1 450 . 1 1 39 39 GLU HG3 H 1 2.317 0.020 . 2 . . . . 39 GLU HG3 . 15870 1 451 . 1 1 39 39 GLU CA C 13 58.230 0.400 . 1 . . . . 39 GLU CA . 15870 1 452 . 1 1 39 39 GLU CB C 13 29.990 0.400 . 1 . . . . 39 GLU CB . 15870 1 453 . 1 1 39 39 GLU CG C 13 36.270 0.400 . 1 . . . . 39 GLU CG . 15870 1 454 . 1 1 39 39 GLU N N 15 122.251 0.400 . 1 . . . . 39 GLU N . 15870 1 455 . 1 1 40 40 GLU H H 1 8.435 0.020 . 1 . . . . 40 GLU H . 15870 1 456 . 1 1 40 40 GLU HA H 1 4.108 0.020 . 1 . . . . 40 GLU HA . 15870 1 457 . 1 1 40 40 GLU HB2 H 1 2.065 0.020 . 2 . . . . 40 GLU HB2 . 15870 1 458 . 1 1 40 40 GLU HB3 H 1 2.065 0.020 . 2 . . . . 40 GLU HB3 . 15870 1 459 . 1 1 40 40 GLU HG2 H 1 2.329 0.020 . 2 . . . . 40 GLU HG2 . 15870 1 460 . 1 1 40 40 GLU HG3 H 1 2.329 0.020 . 2 . . . . 40 GLU HG3 . 15870 1 461 . 1 1 40 40 GLU CA C 13 58.360 0.400 . 1 . . . . 40 GLU CA . 15870 1 462 . 1 1 40 40 GLU CB C 13 30.090 0.400 . 1 . . . . 40 GLU CB . 15870 1 463 . 1 1 40 40 GLU CG C 13 36.330 0.400 . 1 . . . . 40 GLU CG . 15870 1 464 . 1 1 40 40 GLU N N 15 121.271 0.400 . 1 . . . . 40 GLU N . 15870 1 465 . 1 1 41 41 ALA H H 1 8.054 0.020 . 1 . . . . 41 ALA H . 15870 1 466 . 1 1 41 41 ALA HA H 1 4.221 0.020 . 1 . . . . 41 ALA HA . 15870 1 467 . 1 1 41 41 ALA HB1 H 1 1.483 0.020 . 1 . . . . 41 ALA MB . 15870 1 468 . 1 1 41 41 ALA HB2 H 1 1.483 0.020 . 1 . . . . 41 ALA MB . 15870 1 469 . 1 1 41 41 ALA HB3 H 1 1.483 0.020 . 1 . . . . 41 ALA MB . 15870 1 470 . 1 1 41 41 ALA CA C 13 54.180 0.400 . 1 . . . . 41 ALA CA . 15870 1 471 . 1 1 41 41 ALA CB C 13 18.680 0.400 . 1 . . . . 41 ALA CB . 15870 1 472 . 1 1 41 41 ALA N N 15 122.548 0.400 . 1 . . . . 41 ALA N . 15870 1 473 . 1 1 42 42 LYS H H 1 7.924 0.020 . 1 . . . . 42 LYS H . 15870 1 474 . 1 1 42 42 LYS HA H 1 4.168 0.020 . 1 . . . . 42 LYS HA . 15870 1 475 . 1 1 42 42 LYS HB2 H 1 1.878 0.020 . 2 . . . . 42 LYS HB2 . 15870 1 476 . 1 1 42 42 LYS HB3 H 1 1.878 0.020 . 2 . . . . 42 LYS HB3 . 15870 1 477 . 1 1 42 42 LYS HD2 H 1 1.615 0.020 . 2 . . . . 42 LYS HD2 . 15870 1 478 . 1 1 42 42 LYS HD3 H 1 1.615 0.020 . 2 . . . . 42 LYS HD3 . 15870 1 479 . 1 1 42 42 LYS HE2 H 1 2.950 0.020 . 2 . . . . 42 LYS HE2 . 15870 1 480 . 1 1 42 42 LYS HE3 H 1 2.950 0.020 . 2 . . . . 42 LYS HE3 . 15870 1 481 . 1 1 42 42 LYS HG2 H 1 1.467 0.020 . 2 . . . . 42 LYS HG2 . 15870 1 482 . 1 1 42 42 LYS HG3 H 1 1.467 0.020 . 2 . . . . 42 LYS HG3 . 15870 1 483 . 1 1 42 42 LYS CA C 13 57.910 0.400 . 1 . . . . 42 LYS CA . 15870 1 484 . 1 1 42 42 LYS CB C 13 33.100 0.400 . 1 . . . . 42 LYS CB . 15870 1 485 . 1 1 42 42 LYS CD C 13 29.950 0.400 . 1 . . . . 42 LYS CD . 15870 1 486 . 1 1 42 42 LYS CE C 13 42.370 0.400 . 1 . . . . 42 LYS CE . 15870 1 487 . 1 1 42 42 LYS CG C 13 25.710 0.400 . 1 . . . . 42 LYS CG . 15870 1 488 . 1 1 42 42 LYS N N 15 118.809 0.400 . 1 . . . . 42 LYS N . 15870 1 489 . 1 1 43 43 LYS H H 1 7.860 0.020 . 1 . . . . 43 LYS H . 15870 1 490 . 1 1 43 43 LYS HA H 1 4.203 0.020 . 1 . . . . 43 LYS HA . 15870 1 491 . 1 1 43 43 LYS HB2 H 1 1.877 0.020 . 2 . . . . 43 LYS HB2 . 15870 1 492 . 1 1 43 43 LYS HB3 H 1 1.877 0.020 . 2 . . . . 43 LYS HB3 . 15870 1 493 . 1 1 43 43 LYS HD2 H 1 1.731 0.020 . 2 . . . . 43 LYS HD2 . 15870 1 494 . 1 1 43 43 LYS HD3 H 1 1.731 0.020 . 2 . . . . 43 LYS HD3 . 15870 1 495 . 1 1 43 43 LYS HE2 H 1 2.982 0.020 . 2 . . . . 43 LYS HE2 . 15870 1 496 . 1 1 43 43 LYS HE3 H 1 2.982 0.020 . 2 . . . . 43 LYS HE3 . 15870 1 497 . 1 1 43 43 LYS HG2 H 1 1.446 0.020 . 2 . . . . 43 LYS HG2 . 15870 1 498 . 1 1 43 43 LYS HG3 H 1 1.574 0.020 . 2 . . . . 43 LYS HG3 . 15870 1 499 . 1 1 43 43 LYS CA C 13 57.380 0.400 . 1 . . . . 43 LYS CA . 15870 1 500 . 1 1 43 43 LYS CB C 13 33.140 0.400 . 1 . . . . 43 LYS CB . 15870 1 501 . 1 1 43 43 LYS CD C 13 29.740 0.400 . 1 . . . . 43 LYS CD . 15870 1 502 . 1 1 43 43 LYS CE C 13 42.350 0.400 . 1 . . . . 43 LYS CE . 15870 1 503 . 1 1 43 43 LYS CG C 13 25.410 0.400 . 1 . . . . 43 LYS CG . 15870 1 504 . 1 1 43 43 LYS N N 15 120.047 0.400 . 1 . . . . 43 LYS N . 15870 1 505 . 1 1 44 44 LEU H H 1 7.919 0.020 . 1 . . . . 44 LEU H . 15870 1 506 . 1 1 44 44 LEU HA H 1 4.336 0.020 . 1 . . . . 44 LEU HA . 15870 1 507 . 1 1 44 44 LEU HB2 H 1 1.685 0.020 . 2 . . . . 44 LEU HB2 . 15870 1 508 . 1 1 44 44 LEU HB3 H 1 1.685 0.020 . 2 . . . . 44 LEU HB3 . 15870 1 509 . 1 1 44 44 LEU HD11 H 1 0.915 0.020 . 2 . . . . 44 LEU MD1 . 15870 1 510 . 1 1 44 44 LEU HD12 H 1 0.915 0.020 . 2 . . . . 44 LEU MD1 . 15870 1 511 . 1 1 44 44 LEU HD13 H 1 0.915 0.020 . 2 . . . . 44 LEU MD1 . 15870 1 512 . 1 1 44 44 LEU HD21 H 1 0.915 0.020 . 2 . . . . 44 LEU MD2 . 15870 1 513 . 1 1 44 44 LEU HD22 H 1 0.915 0.020 . 2 . . . . 44 LEU MD2 . 15870 1 514 . 1 1 44 44 LEU HD23 H 1 0.915 0.020 . 2 . . . . 44 LEU MD2 . 15870 1 515 . 1 1 44 44 LEU CA C 13 55.680 0.400 . 1 . . . . 44 LEU CA . 15870 1 516 . 1 1 44 44 LEU CB C 13 42.510 0.400 . 1 . . . . 44 LEU CB . 15870 1 517 . 1 1 44 44 LEU CD1 C 13 25.200 0.400 . 2 . . . . 44 LEU CD1 . 15870 1 518 . 1 1 44 44 LEU CD2 C 13 23.560 0.400 . 2 . . . . 44 LEU CD2 . 15870 1 519 . 1 1 44 44 LEU CG C 13 27.340 0.400 . 1 . . . . 44 LEU CG . 15870 1 520 . 1 1 44 44 LEU N N 15 121.328 0.400 . 1 . . . . 44 LEU N . 15870 1 521 . 1 1 45 45 ILE H H 1 7.880 0.020 . 1 . . . . 45 ILE H . 15870 1 522 . 1 1 45 45 ILE HA H 1 4.171 0.020 . 1 . . . . 45 ILE HA . 15870 1 523 . 1 1 45 45 ILE HB H 1 1.910 0.020 . 1 . . . . 45 ILE HB . 15870 1 524 . 1 1 45 45 ILE HD11 H 1 0.914 0.020 . 1 . . . . 45 ILE MD . 15870 1 525 . 1 1 45 45 ILE HD12 H 1 0.914 0.020 . 1 . . . . 45 ILE MD . 15870 1 526 . 1 1 45 45 ILE HD13 H 1 0.914 0.020 . 1 . . . . 45 ILE MD . 15870 1 527 . 1 1 45 45 ILE HG12 H 1 1.514 0.020 . 2 . . . . 45 ILE HG12 . 15870 1 528 . 1 1 45 45 ILE HG13 H 1 1.514 0.020 . 2 . . . . 45 ILE HG13 . 15870 1 529 . 1 1 45 45 ILE HG21 H 1 1.205 0.020 . 1 . . . . 45 ILE MG . 15870 1 530 . 1 1 45 45 ILE HG22 H 1 1.205 0.020 . 1 . . . . 45 ILE MG . 15870 1 531 . 1 1 45 45 ILE HG23 H 1 1.205 0.020 . 1 . . . . 45 ILE MG . 15870 1 532 . 1 1 45 45 ILE CA C 13 61.230 0.400 . 1 . . . . 45 ILE CA . 15870 1 533 . 1 1 45 45 ILE CB C 13 38.880 0.400 . 1 . . . . 45 ILE CB . 15870 1 534 . 1 1 45 45 ILE CD1 C 13 13.114 0.400 . 1 . . . . 45 ILE CD1 . 15870 1 535 . 1 1 45 45 ILE CG1 C 13 28.100 0.400 . 1 . . . . 45 ILE CG1 . 15870 1 536 . 1 1 45 45 ILE CG2 C 13 17.850 0.400 . 1 . . . . 45 ILE CG2 . 15870 1 537 . 1 1 45 45 ILE N N 15 121.011 0.400 . 1 . . . . 45 ILE N . 15870 1 538 . 1 1 46 46 ALA H H 1 8.349 0.020 . 1 . . . . 46 ALA H . 15870 1 539 . 1 1 46 46 ALA HA H 1 4.392 0.020 . 1 . . . . 46 ALA HA . 15870 1 540 . 1 1 46 46 ALA HB1 H 1 1.423 0.020 . 1 . . . . 46 ALA MB . 15870 1 541 . 1 1 46 46 ALA HB2 H 1 1.423 0.020 . 1 . . . . 46 ALA MB . 15870 1 542 . 1 1 46 46 ALA HB3 H 1 1.423 0.020 . 1 . . . . 46 ALA MB . 15870 1 543 . 1 1 46 46 ALA CA C 13 52.380 0.400 . 1 . . . . 46 ALA CA . 15870 1 544 . 1 1 46 46 ALA CB C 13 19.550 0.400 . 1 . . . . 46 ALA CB . 15870 1 545 . 1 1 46 46 ALA N N 15 129.057 0.400 . 1 . . . . 46 ALA N . 15870 1 546 . 1 1 47 47 CYS H H 1 8.043 0.020 . 1 . . . . 47 CYS H . 15870 1 547 . 1 1 47 47 CYS CA C 13 59.035 0.400 . 1 . . . . 47 CYS CA . 15870 1 548 . 1 1 47 47 CYS CB C 13 28.638 0.400 . 1 . . . . 47 CYS CB . 15870 1 549 . 1 1 47 47 CYS N N 15 123.478 0.400 . 1 . . . . 47 CYS N . 15870 1 stop_ save_