data_15987 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15987 _Entry.Title ; NMR structure of plasmid copy control protein ORF56 from sulfolobus islandicus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-15 _Entry.Accession_date 2008-10-15 _Entry.Last_release_date 2008-10-15 _Entry.Original_release_date 2008-10-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Ulrich Weininger . . . . 15987 2 Jochen Balbach . . . . 15987 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15987 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'plasmid copy control protein' . 15987 'ribbon helix helix protein' . 15987 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15987 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 427 15987 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 3 . . 2010-05-27 2008-10-15 update BMRB 'update entity/assembly name' 15987 2 . . 2009-11-12 2008-10-15 update BMRB 'complete entry citation' 15987 1 . . 2009-10-16 2008-10-15 original author 'original release' 15987 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K9I 'BMRB Entry Tracking System' 15987 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15987 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19788170 _Citation.Full_citation . _Citation.Title ; Structure-based stability analysis of an extremely stable dimeric DNA binding protein from Sulfolobus islandicus. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 48 _Citation.Journal_issue 42 _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 10030 _Citation.Page_last 10037 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ulrich Weininger . . . . 15987 1 2 Markus Zeeb . . . . 15987 1 3 Piotr Neumann . . . . 15987 1 4 Christian Low . . . . 15987 1 5 Milton Stubbs . T. . . 15987 1 6 Georg Lipps . . . . 15987 1 7 Jochen Balbach . . . . 15987 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15987 _Assembly.ID 1 _Assembly.Name ORF56 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'METHIONINE, chain 1' 1 $entity_2 A . yes native no no . . . 15987 1 2 'METHIONINE, chain 2' 1 $entity_2 B . yes native no no . . . 15987 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 15987 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ORF56 _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 ; GRPYKLLNGIKLGVYIPQEW HDRLMEIAKEKNLTLSDVCR LAIKEYLDNHDKQKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 149.207 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 15987 1 2 . ARG . 15987 1 3 . PRO . 15987 1 4 . TYR . 15987 1 5 . LYS . 15987 1 6 . LEU . 15987 1 7 . LEU . 15987 1 8 . ASN . 15987 1 9 . GLY . 15987 1 10 . ILE . 15987 1 11 . LYS . 15987 1 12 . LEU . 15987 1 13 . GLY . 15987 1 14 . VAL . 15987 1 15 . TYR . 15987 1 16 . ILE . 15987 1 17 . PRO . 15987 1 18 . GLN . 15987 1 19 . GLU . 15987 1 20 . TRP . 15987 1 21 . HIS . 15987 1 22 . ASP . 15987 1 23 . ARG . 15987 1 24 . LEU . 15987 1 25 . MET . 15987 1 26 . GLU . 15987 1 27 . ILE . 15987 1 28 . ALA . 15987 1 29 . LYS . 15987 1 30 . GLU . 15987 1 31 . LYS . 15987 1 32 . ASN . 15987 1 33 . LEU . 15987 1 34 . THR . 15987 1 35 . LEU . 15987 1 36 . SER . 15987 1 37 . ASP . 15987 1 38 . VAL . 15987 1 39 . CYS . 15987 1 40 . ARG . 15987 1 41 . LEU . 15987 1 42 . ALA . 15987 1 43 . ILE . 15987 1 44 . LYS . 15987 1 45 . GLU . 15987 1 46 . TYR . 15987 1 47 . LEU . 15987 1 48 . ASP . 15987 1 49 . ASN . 15987 1 50 . HIS . 15987 1 51 . ASP . 15987 1 52 . LYS . 15987 1 53 . GLN . 15987 1 54 . LYS . 15987 1 55 . LYS . 15987 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 15987 1 . ARG 2 2 15987 1 . PRO 3 3 15987 1 . TYR 4 4 15987 1 . LYS 5 5 15987 1 . LEU 6 6 15987 1 . LEU 7 7 15987 1 . ASN 8 8 15987 1 . GLY 9 9 15987 1 . ILE 10 10 15987 1 . LYS 11 11 15987 1 . LEU 12 12 15987 1 . GLY 13 13 15987 1 . VAL 14 14 15987 1 . TYR 15 15 15987 1 . ILE 16 16 15987 1 . PRO 17 17 15987 1 . GLN 18 18 15987 1 . GLU 19 19 15987 1 . TRP 20 20 15987 1 . HIS 21 21 15987 1 . ASP 22 22 15987 1 . ARG 23 23 15987 1 . LEU 24 24 15987 1 . MET 25 25 15987 1 . GLU 26 26 15987 1 . ILE 27 27 15987 1 . ALA 28 28 15987 1 . LYS 29 29 15987 1 . GLU 30 30 15987 1 . LYS 31 31 15987 1 . ASN 32 32 15987 1 . LEU 33 33 15987 1 . THR 34 34 15987 1 . LEU 35 35 15987 1 . SER 36 36 15987 1 . ASP 37 37 15987 1 . VAL 38 38 15987 1 . CYS 39 39 15987 1 . ARG 40 40 15987 1 . LEU 41 41 15987 1 . ALA 42 42 15987 1 . ILE 43 43 15987 1 . LYS 44 44 15987 1 . GLU 45 45 15987 1 . TYR 46 46 15987 1 . LEU 47 47 15987 1 . ASP 48 48 15987 1 . ASN 49 49 15987 1 . HIS 50 50 15987 1 . ASP 51 51 15987 1 . LYS 52 52 15987 1 . GLN 53 53 15987 1 . LYS 54 54 15987 1 . LYS 55 55 15987 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 15987 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_2 . 43080 plasmid . 'Sulfolobus islandicus' 'Sulfolobus islandicus' . . Archaea . Sulfolobus islandicus . . . . . . . . . . . . 'plasmid pRN1' 15987 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 15987 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21 . . . . . pET28c . . . 15987 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15987 _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 entity_2 '[U-13C; U-15N]' . . 1 $entity_2 . . 1 . . mM . . . . 15987 1 2 entity_2 'natural abundance' . . 1 $entity_2 . . 2 . . mM . . . . 15987 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 15987 _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' 0.05 . M 15987 1 pH 5.0 . pH 15987 1 pressure 1 . atm 15987 1 temperature 298 . K 15987 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15987 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 15987 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15987 1 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 15987 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15987 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 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 15987 _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 . 700 . . . 15987 1 2 spectrometer_2 Bruker DRX . 400 . . . 15987 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 15987 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15987 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15987 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15987 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15987 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15987 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15987 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15987 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15987 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 15987 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 15987 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 15987 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.02 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _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 3 '3D HNCO' . . . 15987 1 4 '3D HNCA' . . . 15987 1 5 '3D HNCACB' . . . 15987 1 6 '3D HCCH-TOCSY' . . . 15987 1 7 '2D 1H-1H NOESY' . . . 15987 1 8 '2D 1H-1H TOCSY' . . . 15987 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.Ambiguity_set_ID _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 GLY HA2 H 1 3.880 0.010 . . . . . . . 2 GLY HA* . 15987 1 2 . 1 1 1 1 GLY HA3 H 1 3.880 0.010 . . . . . . . 2 GLY HA* . 15987 1 3 . 1 1 2 2 ARG H H 1 8.676 0.010 . 1 . . . . . 3 ARG H . 15987 1 4 . 1 1 2 2 ARG HA H 1 4.608 0.010 . 1 . . . . . 3 ARG HA . 15987 1 5 . 1 1 2 2 ARG HB2 H 1 1.763 0.010 . . . . . . . 3 ARG HB* . 15987 1 6 . 1 1 2 2 ARG HB3 H 1 1.763 0.010 . . . . . . . 3 ARG HB* . 15987 1 7 . 1 1 2 2 ARG HD2 H 1 3.165 0.010 . . . . . . . 3 ARG HD* . 15987 1 8 . 1 1 2 2 ARG HD3 H 1 3.165 0.010 . . . . . . . 3 ARG HD* . 15987 1 9 . 1 1 2 2 ARG HE H 1 7.282 0.010 . 1 . . . . . 3 ARG HE . 15987 1 10 . 1 1 2 2 ARG HG2 H 1 1.656 0.010 . . . . . . . 3 ARG HG* . 15987 1 11 . 1 1 2 2 ARG HG3 H 1 1.656 0.010 . . . . . . . 3 ARG HG* . 15987 1 12 . 1 1 3 3 PRO HA H 1 4.419 0.010 . 1 . . . . . 4 PRO HA . 15987 1 13 . 1 1 3 3 PRO HB2 H 1 1.815 0.010 . 2 . . . . . 4 PRO HB2 . 15987 1 14 . 1 1 3 3 PRO HB3 H 1 2.243 0.010 . 2 . . . . . 4 PRO HB3 . 15987 1 15 . 1 1 3 3 PRO HD2 H 1 3.598 0.010 . 2 . . . . . 4 PRO HD2 . 15987 1 16 . 1 1 3 3 PRO HD3 H 1 3.809 0.010 . 2 . . . . . 4 PRO HD3 . 15987 1 17 . 1 1 3 3 PRO HG2 H 1 2.003 0.010 . . . . . . . 4 PRO HG* . 15987 1 18 . 1 1 3 3 PRO HG3 H 1 2.003 0.010 . . . . . . . 4 PRO HG* . 15987 1 19 . 1 1 4 4 TYR H H 1 8.180 0.010 . 1 . . . . . 5 TYR H . 15987 1 20 . 1 1 4 4 TYR HA H 1 4.449 0.010 . 1 . . . . . 5 TYR HA . 15987 1 21 . 1 1 4 4 TYR HB2 H 1 2.949 0.010 . . . . . . . 5 TYR HB* . 15987 1 22 . 1 1 4 4 TYR HB3 H 1 2.949 0.010 . . . . . . . 5 TYR HB* . 15987 1 23 . 1 1 4 4 TYR HD1 H 1 7.064 0.010 . . . . . . . 5 TYR HD* . 15987 1 24 . 1 1 4 4 TYR HD2 H 1 7.064 0.010 . . . . . . . 5 TYR HD* . 15987 1 25 . 1 1 4 4 TYR HE1 H 1 6.773 0.010 . . . . . . . 5 TYR HE* . 15987 1 26 . 1 1 4 4 TYR HE2 H 1 6.773 0.010 . . . . . . . 5 TYR HE* . 15987 1 27 . 1 1 5 5 LYS H H 1 8.129 0.010 . 1 . . . . . 6 LYS H . 15987 1 28 . 1 1 5 5 LYS HA H 1 4.135 0.010 . 1 . . . . . 6 LYS HA . 15987 1 29 . 1 1 5 5 LYS HB2 H 1 1.620 0.010 . . . . . . . 6 LYS HB* . 15987 1 30 . 1 1 5 5 LYS HB3 H 1 1.620 0.010 . . . . . . . 6 LYS HB* . 15987 1 31 . 1 1 5 5 LYS HD2 H 1 1.600 0.010 . . . . . . . 6 LYS HD* . 15987 1 32 . 1 1 5 5 LYS HD3 H 1 1.600 0.010 . . . . . . . 6 LYS HD* . 15987 1 33 . 1 1 5 5 LYS HE2 H 1 2.936 0.010 . . . . . . . 6 LYS HE* . 15987 1 34 . 1 1 5 5 LYS HE3 H 1 2.936 0.010 . . . . . . . 6 LYS HE* . 15987 1 35 . 1 1 5 5 LYS HG2 H 1 1.258 0.010 . . . . . . . 6 LYS HG* . 15987 1 36 . 1 1 5 5 LYS HG3 H 1 1.258 0.010 . . . . . . . 6 LYS HG* . 15987 1 37 . 1 1 6 6 LEU H H 1 7.959 0.010 . 1 . . . . . 7 LEU H . 15987 1 38 . 1 1 6 6 LEU HA H 1 4.200 0.010 . 1 . . . . . 7 LEU HA . 15987 1 39 . 1 1 6 6 LEU HB2 H 1 1.428 0.010 . . . . . . . 7 LEU HB* . 15987 1 40 . 1 1 6 6 LEU HB3 H 1 1.428 0.010 . . . . . . . 7 LEU HB* . 15987 1 41 . 1 1 6 6 LEU HD11 H 1 0.755 0.010 . . . . . . . 7 LEU HD1* . 15987 1 42 . 1 1 6 6 LEU HD12 H 1 0.755 0.010 . . . . . . . 7 LEU HD1* . 15987 1 43 . 1 1 6 6 LEU HD13 H 1 0.755 0.010 . . . . . . . 7 LEU HD1* . 15987 1 44 . 1 1 6 6 LEU HD21 H 1 0.695 0.010 . . . . . . . 7 LEU HD2* . 15987 1 45 . 1 1 6 6 LEU HD22 H 1 0.695 0.010 . . . . . . . 7 LEU HD2* . 15987 1 46 . 1 1 6 6 LEU HD23 H 1 0.695 0.010 . . . . . . . 7 LEU HD2* . 15987 1 47 . 1 1 6 6 LEU HG H 1 1.377 0.010 . 1 . . . . . 7 LEU HG . 15987 1 48 . 1 1 7 7 LEU H H 1 8.116 0.010 . 1 . . . . . 8 LEU H . 15987 1 49 . 1 1 7 7 LEU HA H 1 4.177 0.010 . 1 . . . . . 8 LEU HA . 15987 1 50 . 1 1 7 7 LEU HB2 H 1 1.530 0.010 . . . . . . . 8 LEU HB* . 15987 1 51 . 1 1 7 7 LEU HB3 H 1 1.530 0.010 . . . . . . . 8 LEU HB* . 15987 1 52 . 1 1 7 7 LEU HD11 H 1 0.816 0.010 . . . . . . . 8 LEU HD1* . 15987 1 53 . 1 1 7 7 LEU HD12 H 1 0.816 0.010 . . . . . . . 8 LEU HD1* . 15987 1 54 . 1 1 7 7 LEU HD13 H 1 0.816 0.010 . . . . . . . 8 LEU HD1* . 15987 1 55 . 1 1 7 7 LEU HD21 H 1 0.755 0.010 . . . . . . . 8 LEU HD2* . 15987 1 56 . 1 1 7 7 LEU HD22 H 1 0.755 0.010 . . . . . . . 8 LEU HD2* . 15987 1 57 . 1 1 7 7 LEU HD23 H 1 0.755 0.010 . . . . . . . 8 LEU HD2* . 15987 1 58 . 1 1 7 7 LEU HG H 1 1.530 0.010 . 1 . . . . . 8 LEU HG . 15987 1 59 . 1 1 8 8 ASN H H 1 8.390 0.010 . 1 . . . . . 9 ASN H . 15987 1 60 . 1 1 8 8 ASN HA H 1 4.562 0.010 . 1 . . . . . 9 ASN HA . 15987 1 61 . 1 1 8 8 ASN HB2 H 1 2.689 0.010 . 2 . . . . . 9 ASN HB2 . 15987 1 62 . 1 1 8 8 ASN HB3 H 1 2.689 0.010 . 2 . . . . . 9 ASN HB3 . 15987 1 63 . 1 1 8 8 ASN HD21 H 1 7.525 0.010 . 2 . . . . . 9 ASN HD21 . 15987 1 64 . 1 1 8 8 ASN HD22 H 1 6.817 0.010 . 2 . . . . . 9 ASN HD22 . 15987 1 65 . 1 1 9 9 GLY H H 1 7.889 0.010 . 1 . . . . . 10 GLY H . 15987 1 66 . 1 1 9 9 GLY HA2 H 1 3.608 0.010 . 2 . . . . . 10 GLY HA2 . 15987 1 67 . 1 1 9 9 GLY HA3 H 1 4.077 0.010 . 2 . . . . . 10 GLY HA3 . 15987 1 68 . 1 1 10 10 ILE H H 1 8.883 0.010 . 1 . . . . . 11 ILE H . 15987 1 69 . 1 1 10 10 ILE HA H 1 4.404 0.010 . 1 . . . . . 11 ILE HA . 15987 1 70 . 1 1 10 10 ILE HB H 1 1.597 0.010 . 1 . . . . . 11 ILE HB . 15987 1 71 . 1 1 10 10 ILE HD11 H 1 0.533 0.010 . . . . . . . 11 ILE HD1* . 15987 1 72 . 1 1 10 10 ILE HD12 H 1 0.533 0.010 . . . . . . . 11 ILE HD1* . 15987 1 73 . 1 1 10 10 ILE HD13 H 1 0.533 0.010 . . . . . . . 11 ILE HD1* . 15987 1 74 . 1 1 10 10 ILE HG12 H 1 0.954 0.010 . 2 . . . . . 11 ILE HG12 . 15987 1 75 . 1 1 10 10 ILE HG13 H 1 1.258 0.010 . 2 . . . . . 11 ILE HG13 . 15987 1 76 . 1 1 10 10 ILE HG21 H 1 0.557 0.010 . . . . . . . 11 ILE HG2* . 15987 1 77 . 1 1 10 10 ILE HG22 H 1 0.557 0.010 . . . . . . . 11 ILE HG2* . 15987 1 78 . 1 1 10 10 ILE HG23 H 1 0.557 0.010 . . . . . . . 11 ILE HG2* . 15987 1 79 . 1 1 11 11 LYS H H 1 8.432 0.010 . 1 . . . . . 12 LYS H . 15987 1 80 . 1 1 11 11 LYS HA H 1 3.920 0.010 . 1 . . . . . 12 LYS HA . 15987 1 81 . 1 1 11 11 LYS HB2 H 1 1.197 0.010 . 2 . . . . . 12 LYS HB2 . 15987 1 82 . 1 1 11 11 LYS HB3 H 1 1.521 0.010 . 2 . . . . . 12 LYS HB3 . 15987 1 83 . 1 1 11 11 LYS HD2 H 1 1.428 0.010 . . . . . . . 12 LYS HD* . 15987 1 84 . 1 1 11 11 LYS HD3 H 1 1.428 0.010 . . . . . . . 12 LYS HD* . 15987 1 85 . 1 1 11 11 LYS HG2 H 1 1.375 0.010 . . . . . . . 12 LYS HG* . 15987 1 86 . 1 1 11 11 LYS HG3 H 1 1.375 0.010 . . . . . . . 12 LYS HG* . 15987 1 87 . 1 1 12 12 LEU H H 1 8.896 0.010 . 1 . . . . . 13 LEU H . 15987 1 88 . 1 1 12 12 LEU HA H 1 4.500 0.010 . 1 . . . . . 13 LEU HA . 15987 1 89 . 1 1 12 12 LEU HB2 H 1 1.652 0.010 . 2 . . . . . 13 LEU HB2 . 15987 1 90 . 1 1 12 12 LEU HB3 H 1 1.515 0.010 . 2 . . . . . 13 LEU HB3 . 15987 1 91 . 1 1 12 12 LEU HD11 H 1 0.850 0.010 . . . . . . . 13 LEU HD1* . 15987 1 92 . 1 1 12 12 LEU HD12 H 1 0.850 0.010 . . . . . . . 13 LEU HD1* . 15987 1 93 . 1 1 12 12 LEU HD13 H 1 0.850 0.010 . . . . . . . 13 LEU HD1* . 15987 1 94 . 1 1 12 12 LEU HD21 H 1 0.816 0.010 . . . . . . . 13 LEU HD2* . 15987 1 95 . 1 1 12 12 LEU HD22 H 1 0.816 0.010 . . . . . . . 13 LEU HD2* . 15987 1 96 . 1 1 12 12 LEU HD23 H 1 0.816 0.010 . . . . . . . 13 LEU HD2* . 15987 1 97 . 1 1 12 12 LEU HG H 1 1.592 0.010 . 1 . . . . . 13 LEU HG . 15987 1 98 . 1 1 13 13 GLY H H 1 8.545 0.010 . 1 . . . . . 14 GLY H . 15987 1 99 . 1 1 13 13 GLY HA2 H 1 3.323 0.010 . 2 . . . . . 14 GLY HA2 . 15987 1 100 . 1 1 13 13 GLY HA3 H 1 4.918 0.010 . 2 . . . . . 14 GLY HA3 . 15987 1 101 . 1 1 14 14 VAL H H 1 8.419 0.010 . 1 . . . . . 15 VAL H . 15987 1 102 . 1 1 14 14 VAL HA H 1 4.369 0.010 . 1 . . . . . 15 VAL HA . 15987 1 103 . 1 1 14 14 VAL HB H 1 1.944 0.010 . 1 . . . . . 15 VAL HB . 15987 1 104 . 1 1 14 14 VAL HG11 H 1 0.889 0.010 . . . . . . . 15 VAL HG1* . 15987 1 105 . 1 1 14 14 VAL HG12 H 1 0.889 0.010 . . . . . . . 15 VAL HG1* . 15987 1 106 . 1 1 14 14 VAL HG13 H 1 0.889 0.010 . . . . . . . 15 VAL HG1* . 15987 1 107 . 1 1 14 14 VAL HG21 H 1 0.842 0.010 . . . . . . . 15 VAL HG2* . 15987 1 108 . 1 1 14 14 VAL HG22 H 1 0.842 0.010 . . . . . . . 15 VAL HG2* . 15987 1 109 . 1 1 14 14 VAL HG23 H 1 0.842 0.010 . . . . . . . 15 VAL HG2* . 15987 1 110 . 1 1 15 15 TYR H H 1 8.680 0.010 . 1 . . . . . 16 TYR H . 15987 1 111 . 1 1 15 15 TYR HA H 1 4.963 0.010 . 1 . . . . . 16 TYR HA . 15987 1 112 . 1 1 15 15 TYR HB2 H 1 2.572 0.010 . 2 . . . . . 16 TYR HB2 . 15987 1 113 . 1 1 15 15 TYR HB3 H 1 2.770 0.010 . 2 . . . . . 16 TYR HB3 . 15987 1 114 . 1 1 15 15 TYR HD1 H 1 6.876 0.010 . . . . . . . 16 TYR HD* . 15987 1 115 . 1 1 15 15 TYR HD2 H 1 6.876 0.010 . . . . . . . 16 TYR HD* . 15987 1 116 . 1 1 15 15 TYR HE1 H 1 6.678 0.010 . . . . . . . 16 TYR HE* . 15987 1 117 . 1 1 15 15 TYR HE2 H 1 6.678 0.010 . . . . . . . 16 TYR HE* . 15987 1 118 . 1 1 16 16 ILE H H 1 8.794 0.010 . 1 . . . . . 17 ILE H . 15987 1 119 . 1 1 16 16 ILE HA H 1 4.670 0.010 . 1 . . . . . 17 ILE HA . 15987 1 120 . 1 1 16 16 ILE HB H 1 1.944 0.010 . 1 . . . . . 17 ILE HB . 15987 1 121 . 1 1 16 16 ILE HD11 H 1 0.863 0.010 . . . . . . . 17 ILE HD1* . 15987 1 122 . 1 1 16 16 ILE HD12 H 1 0.863 0.010 . . . . . . . 17 ILE HD1* . 15987 1 123 . 1 1 16 16 ILE HD13 H 1 0.863 0.010 . . . . . . . 17 ILE HD1* . 15987 1 124 . 1 1 16 16 ILE HG12 H 1 1.148 0.010 . 2 . . . . . 17 ILE HG12 . 15987 1 125 . 1 1 16 16 ILE HG13 H 1 1.575 0.010 . 2 . . . . . 17 ILE HG13 . 15987 1 126 . 1 1 16 16 ILE HG21 H 1 1.015 0.010 . . . . . . . 17 ILE HG2* . 15987 1 127 . 1 1 16 16 ILE HG22 H 1 1.015 0.010 . . . . . . . 17 ILE HG2* . 15987 1 128 . 1 1 16 16 ILE HG23 H 1 1.015 0.010 . . . . . . . 17 ILE HG2* . 15987 1 129 . 1 1 17 17 PRO HA H 1 4.356 0.010 . 1 . . . . . 18 PRO HA . 15987 1 130 . 1 1 17 17 PRO HB2 H 1 1.227 0.010 . 2 . . . . . 18 PRO HB2 . 15987 1 131 . 1 1 17 17 PRO HB3 H 1 1.950 0.010 . 2 . . . . . 18 PRO HB3 . 15987 1 132 . 1 1 17 17 PRO HD2 H 1 2.225 0.010 . 2 . . . . . 18 PRO HD2 . 15987 1 133 . 1 1 17 17 PRO HD3 H 1 2.820 0.010 . 2 . . . . . 18 PRO HD3 . 15987 1 134 . 1 1 17 17 PRO HG2 H 1 0.504 0.010 . 2 . . . . . 18 PRO HG2 . 15987 1 135 . 1 1 17 17 PRO HG3 H 1 1.227 0.010 . 2 . . . . . 18 PRO HG3 . 15987 1 136 . 1 1 18 18 GLN H H 1 9.107 0.010 . 1 . . . . . 19 GLN H . 15987 1 137 . 1 1 18 18 GLN HA H 1 3.772 0.010 . 1 . . . . . 19 GLN HA . 15987 1 138 . 1 1 18 18 GLN HB2 H 1 2.027 0.010 . 2 . . . . . 19 GLN HB2 . 15987 1 139 . 1 1 18 18 GLN HB3 H 1 2.199 0.010 . 2 . . . . . 19 GLN HB3 . 15987 1 140 . 1 1 18 18 GLN HE21 H 1 7.759 0.010 . 2 . . . . . 19 GLN HE21 . 15987 1 141 . 1 1 18 18 GLN HE22 H 1 6.715 0.010 . 2 . . . . . 19 GLN HE22 . 15987 1 142 . 1 1 18 18 GLN HG2 H 1 2.365 0.010 . 2 . . . . . 19 GLN HG2 . 15987 1 143 . 1 1 18 18 GLN HG3 H 1 2.404 0.010 . 2 . . . . . 19 GLN HG3 . 15987 1 144 . 1 1 19 19 GLU H H 1 9.483 0.010 . 1 . . . . . 20 GLU H . 15987 1 145 . 1 1 19 19 GLU HA H 1 4.244 0.010 . 1 . . . . . 20 GLU HA . 15987 1 146 . 1 1 19 19 GLU HB2 H 1 2.122 0.010 . . . . . . . 20 GLU HB* . 15987 1 147 . 1 1 19 19 GLU HB3 H 1 2.122 0.010 . . . . . . . 20 GLU HB* . 15987 1 148 . 1 1 19 19 GLU HG2 H 1 2.205 0.010 . . . . . . . 20 GLU HG* . 15987 1 149 . 1 1 19 19 GLU HG3 H 1 2.205 0.010 . . . . . . . 20 GLU HG* . 15987 1 150 . 1 1 20 20 TRP H H 1 7.250 0.010 . 1 . . . . . 21 TRP H . 15987 1 151 . 1 1 20 20 TRP HA H 1 4.608 0.010 . 1 . . . . . 21 TRP HA . 15987 1 152 . 1 1 20 20 TRP HB2 H 1 3.098 0.010 . 2 . . . . . 21 TRP HB2 . 15987 1 153 . 1 1 20 20 TRP HB3 H 1 3.455 0.010 . 2 . . . . . 21 TRP HB3 . 15987 1 154 . 1 1 20 20 TRP HD1 H 1 7.146 0.010 . 1 . . . . . 21 TRP HD1 . 15987 1 155 . 1 1 20 20 TRP HE1 H 1 10.401 0.010 . 1 . . . . . 21 TRP HE1 . 15987 1 156 . 1 1 20 20 TRP HE3 H 1 7.530 0.010 . 1 . . . . . 21 TRP HE3 . 15987 1 157 . 1 1 20 20 TRP HH2 H 1 7.250 0.010 . 1 . . . . . 21 TRP HH2 . 15987 1 158 . 1 1 20 20 TRP HZ2 H 1 7.530 0.010 . 1 . . . . . 21 TRP HZ2 . 15987 1 159 . 1 1 20 20 TRP HZ3 H 1 7.083 0.010 . 1 . . . . . 21 TRP HZ3 . 15987 1 160 . 1 1 21 21 HIS H H 1 8.005 0.010 . 1 . . . . . 22 HIS H . 15987 1 161 . 1 1 21 21 HIS HA H 1 3.887 0.010 . 1 . . . . . 22 HIS HA . 15987 1 162 . 1 1 21 21 HIS HB2 H 1 2.946 0.010 . 2 . . . . . 22 HIS HB2 . 15987 1 163 . 1 1 21 21 HIS HB3 H 1 3.785 0.010 . 2 . . . . . 22 HIS HB3 . 15987 1 164 . 1 1 21 21 HIS HD2 H 1 6.900 0.010 . 1 . . . . . 22 HIS HD2 . 15987 1 165 . 1 1 21 21 HIS HE1 H 1 7.937 0.010 . 1 . . . . . 22 HIS HE1 . 15987 1 166 . 1 1 22 22 ASP H H 1 8.843 0.010 . 1 . . . . . 23 ASP H . 15987 1 167 . 1 1 22 22 ASP HA H 1 4.364 0.010 . 1 . . . . . 23 ASP HA . 15987 1 168 . 1 1 22 22 ASP HB2 H 1 2.861 0.010 . 2 . . . . . 23 ASP HB2 . 15987 1 169 . 1 1 22 22 ASP HB3 H 1 2.881 0.010 . 2 . . . . . 23 ASP HB3 . 15987 1 170 . 1 1 23 23 ARG H H 1 7.746 0.010 . 1 . . . . . 24 ARG H . 15987 1 171 . 1 1 23 23 ARG HA H 1 4.203 0.010 . 1 . . . . . 24 ARG HA . 15987 1 172 . 1 1 23 23 ARG HB2 H 1 2.002 0.010 . . . . . . . 24 ARG HB* . 15987 1 173 . 1 1 23 23 ARG HB3 H 1 2.002 0.010 . . . . . . . 24 ARG HB* . 15987 1 174 . 1 1 23 23 ARG HD2 H 1 3.138 0.010 . 2 . . . . . 24 ARG HD2 . 15987 1 175 . 1 1 23 23 ARG HD3 H 1 3.406 0.010 . 2 . . . . . 24 ARG HD3 . 15987 1 176 . 1 1 23 23 ARG HE H 1 7.753 0.010 . 1 . . . . . 24 ARG HE . 15987 1 177 . 1 1 23 23 ARG HG2 H 1 1.931 0.010 . . . . . . . 24 ARG HG* . 15987 1 178 . 1 1 23 23 ARG HG3 H 1 1.931 0.010 . . . . . . . 24 ARG HG* . 15987 1 179 . 1 1 24 24 LEU H H 1 8.474 0.010 . 1 . . . . . 25 LEU H . 15987 1 180 . 1 1 24 24 LEU HA H 1 3.940 0.010 . 1 . . . . . 25 LEU HA . 15987 1 181 . 1 1 24 24 LEU HB2 H 1 1.197 0.010 . 2 . . . . . 25 LEU HB2 . 15987 1 182 . 1 1 24 24 LEU HB3 H 1 1.905 0.010 . 2 . . . . . 25 LEU HB3 . 15987 1 183 . 1 1 24 24 LEU HD11 H 1 0.887 0.010 . . . . . . . 25 LEU HD1* . 15987 1 184 . 1 1 24 24 LEU HD12 H 1 0.887 0.010 . . . . . . . 25 LEU HD1* . 15987 1 185 . 1 1 24 24 LEU HD13 H 1 0.887 0.010 . . . . . . . 25 LEU HD1* . 15987 1 186 . 1 1 24 24 LEU HD21 H 1 0.695 0.010 . . . . . . . 25 LEU HD2* . 15987 1 187 . 1 1 24 24 LEU HD22 H 1 0.695 0.010 . . . . . . . 25 LEU HD2* . 15987 1 188 . 1 1 24 24 LEU HD23 H 1 0.695 0.010 . . . . . . . 25 LEU HD2* . 15987 1 189 . 1 1 24 24 LEU HG H 1 0.882 0.010 . 1 . . . . . 25 LEU HG . 15987 1 190 . 1 1 25 25 MET H H 1 8.044 0.010 . 1 . . . . . 26 MET H . 15987 1 191 . 1 1 25 25 MET HA H 1 4.205 0.010 . 1 . . . . . 26 MET HA . 15987 1 192 . 1 1 25 25 MET HB2 H 1 2.122 0.010 . 2 . . . . . 26 MET HB2 . 15987 1 193 . 1 1 25 25 MET HB3 H 1 2.204 0.010 . 2 . . . . . 26 MET HB3 . 15987 1 194 . 1 1 25 25 MET HE1 H 1 2.092 0.010 . . . . . . . 26 MET HE* . 15987 1 195 . 1 1 25 25 MET HE2 H 1 2.092 0.010 . . . . . . . 26 MET HE* . 15987 1 196 . 1 1 25 25 MET HE3 H 1 2.092 0.010 . . . . . . . 26 MET HE* . 15987 1 197 . 1 1 25 25 MET HG2 H 1 2.318 0.010 . 2 . . . . . 26 MET HG2 . 15987 1 198 . 1 1 25 25 MET HG3 H 1 2.531 0.010 . 2 . . . . . 26 MET HG3 . 15987 1 199 . 1 1 26 26 GLU H H 1 7.709 0.010 . 1 . . . . . 27 GLU H . 15987 1 200 . 1 1 26 26 GLU HA H 1 4.139 0.010 . 1 . . . . . 27 GLU HA . 15987 1 201 . 1 1 26 26 GLU HB2 H 1 2.200 0.010 . 2 . . . . . 27 GLU HB2 . 15987 1 202 . 1 1 26 26 GLU HB3 H 1 2.308 0.010 . 2 . . . . . 27 GLU HB3 . 15987 1 203 . 1 1 26 26 GLU HG2 H 1 2.500 0.010 . . . . . . . 27 GLU HG* . 15987 1 204 . 1 1 26 26 GLU HG3 H 1 2.500 0.010 . . . . . . . 27 GLU HG* . 15987 1 205 . 1 1 27 27 ILE H H 1 7.828 0.010 . 1 . . . . . 28 ILE H . 15987 1 206 . 1 1 27 27 ILE HA H 1 3.666 0.010 . 1 . . . . . 28 ILE HA . 15987 1 207 . 1 1 27 27 ILE HB H 1 1.855 0.010 . 1 . . . . . 28 ILE HB . 15987 1 208 . 1 1 27 27 ILE HD11 H 1 0.708 0.010 . . . . . . . 28 ILE HD1* . 15987 1 209 . 1 1 27 27 ILE HD12 H 1 0.708 0.010 . . . . . . . 28 ILE HD1* . 15987 1 210 . 1 1 27 27 ILE HD13 H 1 0.708 0.010 . . . . . . . 28 ILE HD1* . 15987 1 211 . 1 1 27 27 ILE HG12 H 1 0.882 0.010 . 2 . . . . . 28 ILE HG12 . 15987 1 212 . 1 1 27 27 ILE HG13 H 1 1.530 0.010 . 2 . . . . . 28 ILE HG13 . 15987 1 213 . 1 1 27 27 ILE HG21 H 1 0.794 0.010 . . . . . . . 28 ILE HG2* . 15987 1 214 . 1 1 27 27 ILE HG22 H 1 0.794 0.010 . . . . . . . 28 ILE HG2* . 15987 1 215 . 1 1 27 27 ILE HG23 H 1 0.794 0.010 . . . . . . . 28 ILE HG2* . 15987 1 216 . 1 1 28 28 ALA H H 1 8.459 0.010 . 1 . . . . . 29 ALA H . 15987 1 217 . 1 1 28 28 ALA HA H 1 3.610 0.010 . 1 . . . . . 29 ALA HA . 15987 1 218 . 1 1 28 28 ALA HB1 H 1 1.379 0.010 . . . . . . . 29 ALA HB* . 15987 1 219 . 1 1 28 28 ALA HB2 H 1 1.379 0.010 . . . . . . . 29 ALA HB* . 15987 1 220 . 1 1 28 28 ALA HB3 H 1 1.379 0.010 . . . . . . . 29 ALA HB* . 15987 1 221 . 1 1 29 29 LYS H H 1 8.015 0.010 . 1 . . . . . 30 LYS H . 15987 1 222 . 1 1 29 29 LYS HA H 1 4.144 0.010 . 1 . . . . . 30 LYS HA . 15987 1 223 . 1 1 29 29 LYS HB2 H 1 1.456 0.010 . 2 . . . . . 30 LYS HB2 . 15987 1 224 . 1 1 29 29 LYS HB3 H 1 1.995 0.010 . 2 . . . . . 30 LYS HB3 . 15987 1 225 . 1 1 29 29 LYS HD2 H 1 1.737 0.010 . . . . . . . 30 LYS HD* . 15987 1 226 . 1 1 29 29 LYS HD3 H 1 1.737 0.010 . . . . . . . 30 LYS HD* . 15987 1 227 . 1 1 29 29 LYS HE2 H 1 3.004 0.010 . . . . . . . 30 LYS HE* . 15987 1 228 . 1 1 29 29 LYS HE3 H 1 3.004 0.010 . . . . . . . 30 LYS HE* . 15987 1 229 . 1 1 29 29 LYS HG2 H 1 1.600 0.010 . . . . . . . 30 LYS HG* . 15987 1 230 . 1 1 29 29 LYS HG3 H 1 1.600 0.010 . . . . . . . 30 LYS HG* . 15987 1 231 . 1 1 29 29 LYS HZ1 H 1 8.006 0.010 . . . . . . . 30 LYS HZ* . 15987 1 232 . 1 1 29 29 LYS HZ2 H 1 8.006 0.010 . . . . . . . 30 LYS HZ* . 15987 1 233 . 1 1 29 29 LYS HZ3 H 1 8.006 0.010 . . . . . . . 30 LYS HZ* . 15987 1 234 . 1 1 30 30 GLU H H 1 8.096 0.010 . 1 . . . . . 31 GLU H . 15987 1 235 . 1 1 30 30 GLU HA H 1 4.064 0.010 . 1 . . . . . 31 GLU HA . 15987 1 236 . 1 1 30 30 GLU HB2 H 1 2.210 0.010 . 2 . . . . . 31 GLU HB2 . 15987 1 237 . 1 1 30 30 GLU HB3 H 1 2.308 0.010 . 2 . . . . . 31 GLU HB3 . 15987 1 238 . 1 1 30 30 GLU HG2 H 1 2.531 0.010 . . . . . . . 31 GLU HG* . 15987 1 239 . 1 1 30 30 GLU HG3 H 1 2.531 0.010 . . . . . . . 31 GLU HG* . 15987 1 240 . 1 1 31 31 LYS H H 1 8.033 0.010 . 1 . . . . . 32 LYS H . 15987 1 241 . 1 1 31 31 LYS HA H 1 4.313 0.010 . 1 . . . . . 32 LYS HA . 15987 1 242 . 1 1 31 31 LYS HB2 H 1 1.502 0.010 . 2 . . . . . 32 LYS HB2 . 15987 1 243 . 1 1 31 31 LYS HB3 H 1 1.999 0.010 . 2 . . . . . 32 LYS HB3 . 15987 1 244 . 1 1 31 31 LYS HD2 H 1 1.609 0.010 . . . . . . . 32 LYS HD* . 15987 1 245 . 1 1 31 31 LYS HD3 H 1 1.609 0.010 . . . . . . . 32 LYS HD* . 15987 1 246 . 1 1 31 31 LYS HG2 H 1 1.502 0.010 . . . . . . . 32 LYS HG* . 15987 1 247 . 1 1 31 31 LYS HG3 H 1 1.502 0.010 . . . . . . . 32 LYS HG* . 15987 1 248 . 1 1 32 32 ASN H H 1 7.959 0.010 . 1 . . . . . 33 ASN H . 15987 1 249 . 1 1 32 32 ASN HA H 1 4.419 0.010 . 1 . . . . . 33 ASN HA . 15987 1 250 . 1 1 32 32 ASN HB2 H 1 2.786 0.010 . 2 . . . . . 33 ASN HB2 . 15987 1 251 . 1 1 32 32 ASN HB3 H 1 3.195 0.010 . 2 . . . . . 33 ASN HB3 . 15987 1 252 . 1 1 32 32 ASN HD21 H 1 7.533 0.010 . 2 . . . . . 33 ASN HD21 . 15987 1 253 . 1 1 32 32 ASN HD22 H 1 6.842 0.010 . 2 . . . . . 33 ASN HD22 . 15987 1 254 . 1 1 33 33 LEU H H 1 8.538 0.010 . 1 . . . . . 34 LEU H . 15987 1 255 . 1 1 33 33 LEU HA H 1 4.925 0.010 . 1 . . . . . 34 LEU HA . 15987 1 256 . 1 1 33 33 LEU HB2 H 1 1.340 0.010 . 2 . . . . . 34 LEU HB2 . 15987 1 257 . 1 1 33 33 LEU HB3 H 1 1.944 0.010 . 2 . . . . . 34 LEU HB3 . 15987 1 258 . 1 1 33 33 LEU HD11 H 1 0.963 0.010 . . . . . . . 34 LEU HD1* . 15987 1 259 . 1 1 33 33 LEU HD12 H 1 0.963 0.010 . . . . . . . 34 LEU HD1* . 15987 1 260 . 1 1 33 33 LEU HD13 H 1 0.963 0.010 . . . . . . . 34 LEU HD1* . 15987 1 261 . 1 1 33 33 LEU HD21 H 1 0.783 0.010 . . . . . . . 34 LEU HD2* . 15987 1 262 . 1 1 33 33 LEU HD22 H 1 0.783 0.010 . . . . . . . 34 LEU HD2* . 15987 1 263 . 1 1 33 33 LEU HD23 H 1 0.783 0.010 . . . . . . . 34 LEU HD2* . 15987 1 264 . 1 1 33 33 LEU HG H 1 1.630 0.010 . 1 . . . . . 34 LEU HG . 15987 1 265 . 1 1 34 34 THR H H 1 8.656 0.010 . 1 . . . . . 35 THR H . 15987 1 266 . 1 1 34 34 THR HA H 1 4.608 0.010 . 1 . . . . . 35 THR HA . 15987 1 267 . 1 1 34 34 THR HB H 1 4.760 0.010 . 1 . . . . . 35 THR HB . 15987 1 268 . 1 1 34 34 THR HG21 H 1 1.319 0.010 . . . . . . . 35 THR HG2* . 15987 1 269 . 1 1 34 34 THR HG22 H 1 1.319 0.010 . . . . . . . 35 THR HG2* . 15987 1 270 . 1 1 34 34 THR HG23 H 1 1.319 0.010 . . . . . . . 35 THR HG2* . 15987 1 271 . 1 1 35 35 LEU H H 1 9.000 0.010 . 1 . . . . . 36 LEU H . 15987 1 272 . 1 1 35 35 LEU HA H 1 3.908 0.010 . 1 . . . . . 36 LEU HA . 15987 1 273 . 1 1 35 35 LEU HB2 H 1 1.772 0.010 . 2 . . . . . 36 LEU HB2 . 15987 1 274 . 1 1 35 35 LEU HB3 H 1 1.860 0.010 . 2 . . . . . 36 LEU HB3 . 15987 1 275 . 1 1 35 35 LEU HD11 H 1 0.876 0.010 . . . . . . . 36 LEU HD1* . 15987 1 276 . 1 1 35 35 LEU HD12 H 1 0.876 0.010 . . . . . . . 36 LEU HD1* . 15987 1 277 . 1 1 35 35 LEU HD13 H 1 0.876 0.010 . . . . . . . 36 LEU HD1* . 15987 1 278 . 1 1 35 35 LEU HD21 H 1 0.708 0.010 . . . . . . . 36 LEU HD2* . 15987 1 279 . 1 1 35 35 LEU HD22 H 1 0.708 0.010 . . . . . . . 36 LEU HD2* . 15987 1 280 . 1 1 35 35 LEU HD23 H 1 0.708 0.010 . . . . . . . 36 LEU HD2* . 15987 1 281 . 1 1 35 35 LEU HG H 1 1.530 0.010 . 1 . . . . . 36 LEU HG . 15987 1 282 . 1 1 36 36 SER H H 1 8.656 0.010 . 1 . . . . . 37 SER H . 15987 1 283 . 1 1 36 36 SER HA H 1 4.059 0.010 . 1 . . . . . 37 SER HA . 15987 1 284 . 1 1 36 36 SER HB2 H 1 3.870 0.010 . . . . . . . 37 SER HB* . 15987 1 285 . 1 1 36 36 SER HB3 H 1 3.870 0.010 . . . . . . . 37 SER HB* . 15987 1 286 . 1 1 37 37 ASP H H 1 7.984 0.010 . 1 . . . . . 38 ASP H . 15987 1 287 . 1 1 37 37 ASP HA H 1 4.355 0.010 . 1 . . . . . 38 ASP HA . 15987 1 288 . 1 1 37 37 ASP HB2 H 1 2.688 0.010 . 2 . . . . . 38 ASP HB2 . 15987 1 289 . 1 1 37 37 ASP HB3 H 1 3.298 0.010 . 2 . . . . . 38 ASP HB3 . 15987 1 290 . 1 1 38 38 VAL H H 1 8.015 0.010 . 1 . . . . . 39 VAL H . 15987 1 291 . 1 1 38 38 VAL HA H 1 3.576 0.010 . 1 . . . . . 39 VAL HA . 15987 1 292 . 1 1 38 38 VAL HB H 1 2.158 0.010 . 1 . . . . . 39 VAL HB . 15987 1 293 . 1 1 38 38 VAL HG11 H 1 0.990 0.010 . . . . . . . 39 VAL HG1* . 15987 1 294 . 1 1 38 38 VAL HG12 H 1 0.990 0.010 . . . . . . . 39 VAL HG1* . 15987 1 295 . 1 1 38 38 VAL HG13 H 1 0.990 0.010 . . . . . . . 39 VAL HG1* . 15987 1 296 . 1 1 38 38 VAL HG21 H 1 0.908 0.010 . . . . . . . 39 VAL HG2* . 15987 1 297 . 1 1 38 38 VAL HG22 H 1 0.908 0.010 . . . . . . . 39 VAL HG2* . 15987 1 298 . 1 1 38 38 VAL HG23 H 1 0.908 0.010 . . . . . . . 39 VAL HG2* . 15987 1 299 . 1 1 39 39 CYS H H 1 8.260 0.010 . . . . . . . 40 CYS H . 15987 1 300 . 1 1 39 39 CYS HA H 1 3.777 0.010 . . . . . . . 40 CYS HA . 15987 1 301 . 1 1 39 39 CYS HB2 H 1 2.460 0.010 . . . . . . . 40 CYS HB2 . 15987 1 302 . 1 1 39 39 CYS HB3 H 1 3.117 0.010 . . . . . . . 40 CYS HB3 . 15987 1 303 . 1 1 40 40 ARG H H 1 8.206 0.010 . 1 . . . . . 41 ARG H . 15987 1 304 . 1 1 40 40 ARG HA H 1 4.008 0.010 . 1 . . . . . 41 ARG HA . 15987 1 305 . 1 1 40 40 ARG HB2 H 1 1.777 0.010 . 2 . . . . . 41 ARG HB2 . 15987 1 306 . 1 1 40 40 ARG HB3 H 1 1.995 0.010 . 2 . . . . . 41 ARG HB3 . 15987 1 307 . 1 1 40 40 ARG HD2 H 1 3.295 0.010 . 2 . . . . . 41 ARG HD2 . 15987 1 308 . 1 1 40 40 ARG HD3 H 1 3.566 0.010 . 2 . . . . . 41 ARG HD3 . 15987 1 309 . 1 1 40 40 ARG HE H 1 7.700 0.010 . 1 . . . . . 41 ARG HE . 15987 1 310 . 1 1 40 40 ARG HG2 H 1 2.165 0.010 . . . . . . . 41 ARG HG* . 15987 1 311 . 1 1 40 40 ARG HG3 H 1 2.165 0.010 . . . . . . . 41 ARG HG* . 15987 1 312 . 1 1 41 41 LEU H H 1 7.822 0.010 . 1 . . . . . 42 LEU H . 15987 1 313 . 1 1 41 41 LEU HA H 1 4.036 0.010 . 1 . . . . . 42 LEU HA . 15987 1 314 . 1 1 41 41 LEU HB2 H 1 1.403 0.010 . 2 . . . . . 42 LEU HB2 . 15987 1 315 . 1 1 41 41 LEU HB3 H 1 1.851 0.010 . 2 . . . . . 42 LEU HB3 . 15987 1 316 . 1 1 41 41 LEU HD11 H 1 0.933 0.010 . . . . . . . 42 LEU HD1* . 15987 1 317 . 1 1 41 41 LEU HD12 H 1 0.933 0.010 . . . . . . . 42 LEU HD1* . 15987 1 318 . 1 1 41 41 LEU HD13 H 1 0.933 0.010 . . . . . . . 42 LEU HD1* . 15987 1 319 . 1 1 41 41 LEU HD21 H 1 0.887 0.010 . . . . . . . 42 LEU HD2* . 15987 1 320 . 1 1 41 41 LEU HD22 H 1 0.887 0.010 . . . . . . . 42 LEU HD2* . 15987 1 321 . 1 1 41 41 LEU HD23 H 1 0.887 0.010 . . . . . . . 42 LEU HD2* . 15987 1 322 . 1 1 41 41 LEU HG H 1 1.790 0.010 . 1 . . . . . 42 LEU HG . 15987 1 323 . 1 1 42 42 ALA H H 1 7.741 0.010 . 1 . . . . . 43 ALA H . 15987 1 324 . 1 1 42 42 ALA HA H 1 3.699 0.010 . 1 . . . . . 43 ALA HA . 15987 1 325 . 1 1 42 42 ALA HB1 H 1 1.011 0.010 . . . . . . . 43 ALA HB* . 15987 1 326 . 1 1 42 42 ALA HB2 H 1 1.011 0.010 . . . . . . . 43 ALA HB* . 15987 1 327 . 1 1 42 42 ALA HB3 H 1 1.011 0.010 . . . . . . . 43 ALA HB* . 15987 1 328 . 1 1 43 43 ILE H H 1 8.043 0.010 . 1 . . . . . 44 ILE H . 15987 1 329 . 1 1 43 43 ILE HA H 1 3.423 0.010 . 1 . . . . . 44 ILE HA . 15987 1 330 . 1 1 43 43 ILE HB H 1 2.018 0.010 . 1 . . . . . 44 ILE HB . 15987 1 331 . 1 1 43 43 ILE HD11 H 1 0.765 0.010 . . . . . . . 44 ILE HD1* . 15987 1 332 . 1 1 43 43 ILE HD12 H 1 0.765 0.010 . . . . . . . 44 ILE HD1* . 15987 1 333 . 1 1 43 43 ILE HD13 H 1 0.765 0.010 . . . . . . . 44 ILE HD1* . 15987 1 334 . 1 1 43 43 ILE HG12 H 1 1.092 0.010 . 2 . . . . . 44 ILE HG12 . 15987 1 335 . 1 1 43 43 ILE HG13 H 1 1.688 0.010 . 2 . . . . . 44 ILE HG13 . 15987 1 336 . 1 1 43 43 ILE HG21 H 1 0.886 0.010 . . . . . . . 44 ILE HG2* . 15987 1 337 . 1 1 43 43 ILE HG22 H 1 0.886 0.010 . . . . . . . 44 ILE HG2* . 15987 1 338 . 1 1 43 43 ILE HG23 H 1 0.886 0.010 . . . . . . . 44 ILE HG2* . 15987 1 339 . 1 1 44 44 LYS H H 1 8.432 0.010 . 1 . . . . . 45 LYS H . 15987 1 340 . 1 1 44 44 LYS HA H 1 3.014 0.010 . 1 . . . . . 45 LYS HA . 15987 1 341 . 1 1 44 44 LYS HB2 H 1 1.542 0.010 . 2 . . . . . 45 LYS HB2 . 15987 1 342 . 1 1 44 44 LYS HB3 H 1 1.768 0.010 . 2 . . . . . 45 LYS HB3 . 15987 1 343 . 1 1 44 44 LYS HD2 H 1 1.602 0.010 . . . . . . . 45 LYS HD* . 15987 1 344 . 1 1 44 44 LYS HD3 H 1 1.602 0.010 . . . . . . . 45 LYS HD* . 15987 1 345 . 1 1 44 44 LYS HE2 H 1 2.923 0.010 . . . . . . . 45 LYS HE* . 15987 1 346 . 1 1 44 44 LYS HE3 H 1 2.923 0.010 . . . . . . . 45 LYS HE* . 15987 1 347 . 1 1 44 44 LYS HG2 H 1 1.240 0.010 . . . . . . . 45 LYS HG* . 15987 1 348 . 1 1 44 44 LYS HG3 H 1 1.240 0.010 . . . . . . . 45 LYS HG* . 15987 1 349 . 1 1 45 45 GLU H H 1 8.370 0.010 . 1 . . . . . 46 GLU H . 15987 1 350 . 1 1 45 45 GLU HA H 1 4.002 0.010 . 1 . . . . . 46 GLU HA . 15987 1 351 . 1 1 45 45 GLU HB2 H 1 2.165 0.010 . . . . . . . 46 GLU HB* . 15987 1 352 . 1 1 45 45 GLU HB3 H 1 2.165 0.010 . . . . . . . 46 GLU HB* . 15987 1 353 . 1 1 45 45 GLU HG2 H 1 2.455 0.010 . 2 . . . . . 46 GLU HG2 . 15987 1 354 . 1 1 45 45 GLU HG3 H 1 2.720 0.010 . 2 . . . . . 46 GLU HG3 . 15987 1 355 . 1 1 46 46 TYR H H 1 7.703 0.010 . 1 . . . . . 47 TYR H . 15987 1 356 . 1 1 46 46 TYR HA H 1 4.308 0.010 . 1 . . . . . 47 TYR HA . 15987 1 357 . 1 1 46 46 TYR HB2 H 1 3.068 0.010 . 2 . . . . . 47 TYR HB2 . 15987 1 358 . 1 1 46 46 TYR HB3 H 1 3.298 0.010 . 2 . . . . . 47 TYR HB3 . 15987 1 359 . 1 1 46 46 TYR HD1 H 1 6.788 0.010 . . . . . . . 47 TYR HD* . 15987 1 360 . 1 1 46 46 TYR HD2 H 1 6.788 0.010 . . . . . . . 47 TYR HD* . 15987 1 361 . 1 1 46 46 TYR HE1 H 1 6.437 0.010 . . . . . . . 47 TYR HE* . 15987 1 362 . 1 1 46 46 TYR HE2 H 1 6.437 0.010 . . . . . . . 47 TYR HE* . 15987 1 363 . 1 1 47 47 LEU H H 1 8.432 0.010 . 1 . . . . . 48 LEU H . 15987 1 364 . 1 1 47 47 LEU HA H 1 3.709 0.010 . 1 . . . . . 48 LEU HA . 15987 1 365 . 1 1 47 47 LEU HB2 H 1 1.247 0.010 . 2 . . . . . 48 LEU HB2 . 15987 1 366 . 1 1 47 47 LEU HB3 H 1 1.698 0.010 . 2 . . . . . 48 LEU HB3 . 15987 1 367 . 1 1 47 47 LEU HD11 H 1 0.701 0.010 . . . . . . . 48 LEU HD1* . 15987 1 368 . 1 1 47 47 LEU HD12 H 1 0.701 0.010 . . . . . . . 48 LEU HD1* . 15987 1 369 . 1 1 47 47 LEU HD13 H 1 0.701 0.010 . . . . . . . 48 LEU HD1* . 15987 1 370 . 1 1 47 47 LEU HD21 H 1 0.346 0.010 . . . . . . . 48 LEU HD2* . 15987 1 371 . 1 1 47 47 LEU HD22 H 1 0.346 0.010 . . . . . . . 48 LEU HD2* . 15987 1 372 . 1 1 47 47 LEU HD23 H 1 0.346 0.010 . . . . . . . 48 LEU HD2* . 15987 1 373 . 1 1 47 47 LEU HG H 1 1.745 0.010 . 1 . . . . . 48 LEU HG . 15987 1 374 . 1 1 48 48 ASP H H 1 8.530 0.010 . 1 . . . . . 49 ASP H . 15987 1 375 . 1 1 48 48 ASP HA H 1 4.255 0.010 . 1 . . . . . 49 ASP HA . 15987 1 376 . 1 1 48 48 ASP HB2 H 1 2.588 0.010 . 2 . . . . . 49 ASP HB2 . 15987 1 377 . 1 1 48 48 ASP HB3 H 1 2.720 0.010 . 2 . . . . . 49 ASP HB3 . 15987 1 378 . 1 1 49 49 ASN H H 1 7.934 0.010 . 1 . . . . . 50 ASN H . 15987 1 379 . 1 1 49 49 ASN HA H 1 4.482 0.010 . 1 . . . . . 50 ASN HA . 15987 1 380 . 1 1 49 49 ASN HB2 H 1 2.450 0.010 . 2 . . . . . 50 ASN HB2 . 15987 1 381 . 1 1 49 49 ASN HB3 H 1 2.660 0.010 . 2 . . . . . 50 ASN HB3 . 15987 1 382 . 1 1 49 49 ASN HD21 H 1 7.635 0.010 . 2 . . . . . 50 ASN HD21 . 15987 1 383 . 1 1 49 49 ASN HD22 H 1 6.910 0.010 . 2 . . . . . 50 ASN HD22 . 15987 1 384 . 1 1 50 50 HIS H H 1 7.830 0.010 . 1 . . . . . 51 HIS H . 15987 1 385 . 1 1 50 50 HIS HA H 1 4.424 0.010 . 1 . . . . . 51 HIS HA . 15987 1 386 . 1 1 50 50 HIS HB2 H 1 2.514 0.010 . 2 . . . . . 51 HIS HB2 . 15987 1 387 . 1 1 50 50 HIS HB3 H 1 3.156 0.010 . 2 . . . . . 51 HIS HB3 . 15987 1 388 . 1 1 50 50 HIS HD2 H 1 6.856 0.010 . 1 . . . . . 51 HIS HD2 . 15987 1 389 . 1 1 50 50 HIS HE1 H 1 7.830 0.010 . 1 . . . . . 51 HIS HE1 . 15987 1 390 . 1 1 51 51 ASP H H 1 8.052 0.010 . 1 . . . . . 52 ASP H . 15987 1 391 . 1 1 51 51 ASP HA H 1 4.680 0.010 . 1 . . . . . 52 ASP HA . 15987 1 392 . 1 1 51 51 ASP HB2 H 1 2.688 0.010 . 2 . . . . . 52 ASP HB2 . 15987 1 393 . 1 1 51 51 ASP HB3 H 1 2.840 0.010 . 2 . . . . . 52 ASP HB3 . 15987 1 394 . 1 1 52 52 LYS H H 1 8.069 0.010 . 1 . . . . . 53 LYS H . 15987 1 395 . 1 1 52 52 LYS HA H 1 4.220 0.010 . 1 . . . . . 53 LYS HA . 15987 1 396 . 1 1 52 52 LYS HB2 H 1 1.775 0.010 . 2 . . . . . 53 LYS HB2 . 15987 1 397 . 1 1 52 52 LYS HB3 H 1 1.820 0.010 . 2 . . . . . 53 LYS HB3 . 15987 1 398 . 1 1 52 52 LYS HD2 H 1 1.665 0.010 . . . . . . . 53 LYS HD* . 15987 1 399 . 1 1 52 52 LYS HD3 H 1 1.665 0.010 . . . . . . . 53 LYS HD* . 15987 1 400 . 1 1 52 52 LYS HE2 H 1 2.867 0.010 . . . . . . . 53 LYS HE* . 15987 1 401 . 1 1 52 52 LYS HE3 H 1 2.867 0.010 . . . . . . . 53 LYS HE* . 15987 1 402 . 1 1 52 52 LYS HG2 H 1 1.375 0.010 . . . . . . . 53 LYS HG* . 15987 1 403 . 1 1 52 52 LYS HG3 H 1 1.375 0.010 . . . . . . . 53 LYS HG* . 15987 1 404 . 1 1 53 53 GLN H H 1 8.246 0.010 . 1 . . . . . 54 GLN H . 15987 1 405 . 1 1 53 53 GLN HA H 1 4.257 0.010 . 1 . . . . . 54 GLN HA . 15987 1 406 . 1 1 53 53 GLN HB2 H 1 1.958 0.010 . 2 . . . . . 54 GLN HB2 . 15987 1 407 . 1 1 53 53 GLN HB3 H 1 2.080 0.010 . 2 . . . . . 54 GLN HB3 . 15987 1 408 . 1 1 53 53 GLN HE21 H 1 7.537 0.010 . 2 . . . . . 54 GLN HE21 . 15987 1 409 . 1 1 53 53 GLN HE22 H 1 6.860 0.010 . 2 . . . . . 54 GLN HE22 . 15987 1 410 . 1 1 53 53 GLN HG2 H 1 2.336 0.010 . . . . . . . 54 GLN HG* . 15987 1 411 . 1 1 53 53 GLN HG3 H 1 2.336 0.010 . . . . . . . 54 GLN HG* . 15987 1 412 . 1 1 54 54 LYS H H 1 8.200 0.010 . 1 . . . . . 55 LYS H . 15987 1 413 . 1 1 54 54 LYS HA H 1 4.266 0.010 . 1 . . . . . 55 LYS HA . 15987 1 414 . 1 1 54 54 LYS HB2 H 1 1.730 0.010 . 2 . . . . . 55 LYS HB2 . 15987 1 415 . 1 1 54 54 LYS HB3 H 1 1.830 0.010 . 2 . . . . . 55 LYS HB3 . 15987 1 416 . 1 1 54 54 LYS HD2 H 1 1.608 0.010 . . . . . . . 55 LYS HD* . 15987 1 417 . 1 1 54 54 LYS HD3 H 1 1.608 0.010 . . . . . . . 55 LYS HD* . 15987 1 418 . 1 1 54 54 LYS HE2 H 1 2.974 0.010 . . . . . . . 55 LYS HE* . 15987 1 419 . 1 1 54 54 LYS HE3 H 1 2.974 0.010 . . . . . . . 55 LYS HE* . 15987 1 420 . 1 1 54 54 LYS HG2 H 1 1.409 0.010 . . . . . . . 55 LYS HG* . 15987 1 421 . 1 1 54 54 LYS HG3 H 1 1.409 0.010 . . . . . . . 55 LYS HG* . 15987 1 422 . 1 1 55 55 LYS H H 1 8.018 0.010 . 1 . . . . . 56 LYS H . 15987 1 423 . 1 1 55 55 LYS HA H 1 4.156 0.010 . 1 . . . . . 56 LYS HA . 15987 1 424 . 1 1 55 55 LYS HB2 H 1 1.699 0.010 . 2 . . . . . 56 LYS HB2 . 15987 1 425 . 1 1 55 55 LYS HB3 H 1 1.813 0.010 . 2 . . . . . 56 LYS HB3 . 15987 1 426 . 1 1 55 55 LYS HG2 H 1 1.380 0.010 . . . . . . . 56 LYS HG* . 15987 1 427 . 1 1 55 55 LYS HG3 H 1 1.380 0.010 . . . . . . . 56 LYS HG* . 15987 1 stop_ save_