data_17664 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17664 _Entry.Title ; HVS ORF57 103-120 backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-25 _Entry.Accession_date 2011-05-25 _Entry.Last_release_date 2011-09-01 _Entry.Original_release_date 2011-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The file contains assignments for ORF57 103-120 free form at 303k' _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 Richard Tunnicliffe . B. . 17664 2 Guillaume Hautbergue . M. . 17664 3 Stuart Wilson . A. . 17664 4 Alexander Golovanov . P. . 17664 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17664 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 85 17664 '15N chemical shifts' 23 17664 '1H chemical shifts' 120 17664 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-01 2011-05-25 original author . 17664 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17663 'ORF57 56-140' 17664 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17664 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21253573 _Citation.Full_citation . _Citation.Title 'Structural basis for the recognition of cellular mRNA export factor REF by herpes viral proteins HSV-1 ICP27 and HVS ORF57.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 7 _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 . _Citation.Page_last . _Citation.Year 2011 _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 Richard Tunnicliffe . B. . 17664 1 2 Guillaume Hautbergue . M. . 17664 1 3 Priti Kalra . . . 17664 1 4 Brian Jackson . R. . 17664 1 5 Adrian Whitehouse . . . 17664 1 6 Stuart Wilson . A. . 17664 1 7 Alexander Golovanov . P. . 17664 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Herpes 17664 1 RNA 17664 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17664 _Assembly.ID 1 _Assembly.Name 'ORF57 103-120' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 2502.7 _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 'ORF57 103-120' 1 $HVS_ORF57 A . yes native no no . . . 17664 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HVS_ORF57 _Entity.Sf_category entity _Entity.Sf_framecode HVS_ORF57 _Entity.Entry_ID 17664 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HVS_ORF57 _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 ; GPLGSSCKTSWADRVREAAA QRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal sequence GPLGS is non-native from cloning' _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'ORF57 103-120' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16698 . ORF57_8-120 . . . . . 78.26 135 100.00 100.00 2.42e-02 . . . . 17664 1 2 no BMRB 17663 . HVS_ORF57 . . . . . 78.26 107 100.00 100.00 1.79e-02 . . . . 17664 1 3 no PDB 2YKA . "Rrm Domain Of Mrna Export Adaptor Ref2-i Bound To Hvs Orf57 Peptide" . . . . . 95.65 23 100.00 100.00 2.55e-05 . . . . 17664 1 4 no EMBL CAA45680 . "unnamed protein product [Saimiriine herpesvirus 2]" . . . . . 78.26 417 100.00 100.00 2.85e-02 . . . . 17664 1 5 no EMBL CAC84353 . "hypothetical protein [Saimiriine herpesvirus 2]" . . . . . 78.26 427 100.00 100.00 3.12e-02 . . . . 17664 1 6 no EMBL CAC84354 . "hypothetical protein [Saimiriine herpesvirus 2]" . . . . . 78.26 385 100.00 100.00 3.88e-02 . . . . 17664 1 7 no GB AAA46125 . "transactivator, partial [Saimiriine herpesvirus 2]" . . . . . 78.26 412 100.00 100.00 3.18e-02 . . . . 17664 1 8 no GB AAA66558 . "immediate-early phosphoprotein [Saimiriine herpesvirus 1]" . . . . . 78.26 384 100.00 100.00 3.73e-02 . . . . 17664 1 9 no PIR WMBEHA . "52K immediate-early protein - saimiriine herpesvirus 1 (strain 11)" . . . . . 78.26 417 100.00 100.00 2.85e-02 . . . . 17664 1 10 no REF NP_040259 . "unnamed protein product [Saimiriine herpesvirus 2]" . . . . . 78.26 417 100.00 100.00 2.85e-02 . . . . 17664 1 11 no SP P13199 . "RecName: Full=mRNA export factor ICP27 homolog; AltName: Full=52 kDa immediate-early phosphoprotein; AltName: Full=EB2 protein " . . . . . 78.26 417 100.00 100.00 2.85e-02 . . . . 17664 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'mRNA export' 17664 1 multifunctional 17664 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 98 GLY . 17664 1 2 99 PRO . 17664 1 3 100 LEU . 17664 1 4 101 GLY . 17664 1 5 102 SER . 17664 1 6 103 SER . 17664 1 7 104 CYS . 17664 1 8 105 LYS . 17664 1 9 106 THR . 17664 1 10 107 SER . 17664 1 11 108 TRP . 17664 1 12 109 ALA . 17664 1 13 110 ASP . 17664 1 14 111 ARG . 17664 1 15 112 VAL . 17664 1 16 113 ARG . 17664 1 17 114 GLU . 17664 1 18 115 ALA . 17664 1 19 116 ALA . 17664 1 20 117 ALA . 17664 1 21 118 GLN . 17664 1 22 119 ARG . 17664 1 23 120 ARG . 17664 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 17664 1 . PRO 2 2 17664 1 . LEU 3 3 17664 1 . GLY 4 4 17664 1 . SER 5 5 17664 1 . SER 6 6 17664 1 . CYS 7 7 17664 1 . LYS 8 8 17664 1 . THR 9 9 17664 1 . SER 10 10 17664 1 . TRP 11 11 17664 1 . ALA 12 12 17664 1 . ASP 13 13 17664 1 . ARG 14 14 17664 1 . VAL 15 15 17664 1 . ARG 16 16 17664 1 . GLU 17 17 17664 1 . ALA 18 18 17664 1 . ALA 19 19 17664 1 . ALA 20 20 17664 1 . GLN 21 21 17664 1 . ARG 22 22 17664 1 . ARG 23 23 17664 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 17664 _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 $HVS_ORF57 . 10381 virus . 'Herpesvirus saimiri' 'Herpesvirus saimiri' . 00.031.3.02.014 Viruses . Herpesvirus saimiri . . . . . . . . . . . . . . . . . . . . . 17664 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 17664 _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 $HVS_ORF57 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3 RP' . . . . . . . . . . . . . . . pGEX-6P-1 . . . . . . 17664 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17664 _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 'HVS ORF57' '[U-95% 13C; U-95% 15N]' . . 1 $HVS_ORF57 . . 1.0 . . mM 0.05 . . . 17664 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 17664 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 17664 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 17664 _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 17664 1 pH 6.2 0.05 pH 17664 1 pressure 1 . atm 17664 1 temperature 303 0.1 K 17664 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17664 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17664 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17664 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 17664 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 17664 _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 DRX . 600 . . . 17664 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 17664 _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 . . . . . . . . . . . . . . . . 17664 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17664 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17664 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17664 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17664 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17664 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17664 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 17664 _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 protons . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 17664 1 H 1 DSS protons . . . . ppm 0 internal direct 1 . . . . . . . . . 17664 1 N 15 DSS protons . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17664 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 17664 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17664 1 2 '2D 1H-13C HSQC' . . . 17664 1 3 '3D HBHA(CO)NH' . . . 17664 1 4 '3D 1H-15N NOESY' . . . 17664 1 5 '3D 1H-15N TOCSY' . . . 17664 1 6 '3D HNCO' . . . 17664 1 7 '3D 1H-13C NOESY' . . . 17664 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 GLY HA2 H 1 4.018 0.020 . 2 . . . . 98 GLY HA2 . 17664 1 2 . 1 1 1 1 GLY CA C 13 43.321 0.100 . 1 . . . . 98 GLY CA . 17664 1 3 . 1 1 2 2 PRO HA H 1 4.503 0.020 . 1 . . . . 99 PRO HA . 17664 1 4 . 1 1 2 2 PRO HB2 H 1 1.985 0.020 . 2 . . . . 99 PRO HB2 . 17664 1 5 . 1 1 2 2 PRO HB3 H 1 2.346 0.020 . 2 . . . . 99 PRO HB3 . 17664 1 6 . 1 1 2 2 PRO HG2 H 1 2.047 0.020 . 2 . . . . 99 PRO HG2 . 17664 1 7 . 1 1 2 2 PRO HD2 H 1 3.603 0.020 . 2 . . . . 99 PRO HD2 . 17664 1 8 . 1 1 2 2 PRO C C 13 177.018 0.100 . 1 . . . . 99 PRO C . 17664 1 9 . 1 1 2 2 PRO CA C 13 63.189 0.100 . 1 . . . . 99 PRO CA . 17664 1 10 . 1 1 2 2 PRO CB C 13 32.291 0.100 . 1 . . . . 99 PRO CB . 17664 1 11 . 1 1 2 2 PRO CG C 13 27.040 0.100 . 1 . . . . 99 PRO CG . 17664 1 12 . 1 1 2 2 PRO CD C 13 49.631 0.100 . 1 . . . . 99 PRO CD . 17664 1 13 . 1 1 3 3 LEU H H 1 8.544 0.020 . 1 . . . . 100 LEU H . 17664 1 14 . 1 1 3 3 LEU HA H 1 4.392 0.020 . 1 . . . . 100 LEU HA . 17664 1 15 . 1 1 3 3 LEU HB2 H 1 1.658 0.020 . 2 . . . . 100 LEU HB2 . 17664 1 16 . 1 1 3 3 LEU HB3 H 1 1.705 0.020 . 2 . . . . 100 LEU HB3 . 17664 1 17 . 1 1 3 3 LEU HG H 1 1.606 0.020 . 1 . . . . 100 LEU HG . 17664 1 18 . 1 1 3 3 LEU HD11 H 1 0.930 0.020 . 2 . . . . 100 LEU HD1 . 17664 1 19 . 1 1 3 3 LEU HD12 H 1 0.930 0.020 . 2 . . . . 100 LEU HD1 . 17664 1 20 . 1 1 3 3 LEU HD13 H 1 0.930 0.020 . 2 . . . . 100 LEU HD1 . 17664 1 21 . 1 1 3 3 LEU HD21 H 1 0.971 0.020 . 2 . . . . 100 LEU HD2 . 17664 1 22 . 1 1 3 3 LEU HD22 H 1 0.971 0.020 . 2 . . . . 100 LEU HD2 . 17664 1 23 . 1 1 3 3 LEU HD23 H 1 0.971 0.020 . 2 . . . . 100 LEU HD2 . 17664 1 24 . 1 1 3 3 LEU C C 13 178.012 0.100 . 1 . . . . 100 LEU C . 17664 1 25 . 1 1 3 3 LEU CA C 13 55.392 0.100 . 1 . . . . 100 LEU CA . 17664 1 26 . 1 1 3 3 LEU CB C 13 42.326 0.100 . 1 . . . . 100 LEU CB . 17664 1 27 . 1 1 3 3 LEU CG C 13 27.272 0.100 . 1 . . . . 100 LEU CG . 17664 1 28 . 1 1 3 3 LEU CD1 C 13 23.509 0.100 . 1 . . . . 100 LEU CD1 . 17664 1 29 . 1 1 3 3 LEU CD2 C 13 24.864 0.100 . 1 . . . . 100 LEU CD2 . 17664 1 30 . 1 1 3 3 LEU N N 15 122.359 0.100 . 1 . . . . 100 LEU N . 17664 1 31 . 1 1 4 4 GLY H H 1 8.433 0.020 . 1 . . . . 101 GLY H . 17664 1 32 . 1 1 4 4 GLY HA2 H 1 4.025 0.020 . 2 . . . . 101 GLY HA2 . 17664 1 33 . 1 1 4 4 GLY C C 13 174.326 0.100 . 1 . . . . 101 GLY C . 17664 1 34 . 1 1 4 4 GLY CA C 13 45.453 0.100 . 1 . . . . 101 GLY CA . 17664 1 35 . 1 1 4 4 GLY N N 15 109.846 0.100 . 1 . . . . 101 GLY N . 17664 1 36 . 1 1 5 5 SER H H 1 8.263 0.020 . 1 . . . . 102 SER H . 17664 1 37 . 1 1 5 5 SER HA H 1 4.523 0.020 . 1 . . . . 102 SER HA . 17664 1 38 . 1 1 5 5 SER HB2 H 1 3.910 0.020 . 2 . . . . 102 SER HB2 . 17664 1 39 . 1 1 5 5 SER C C 13 174.800 0.100 . 1 . . . . 102 SER C . 17664 1 40 . 1 1 5 5 SER CA C 13 58.396 0.100 . 1 . . . . 102 SER CA . 17664 1 41 . 1 1 5 5 SER CB C 13 63.982 0.100 . 1 . . . . 102 SER CB . 17664 1 42 . 1 1 5 5 SER N N 15 115.540 0.100 . 1 . . . . 102 SER N . 17664 1 43 . 1 1 6 6 SER H H 1 8.459 0.020 . 1 . . . . 103 SER H . 17664 1 44 . 1 1 6 6 SER HA H 1 4.538 0.020 . 1 . . . . 103 SER HA . 17664 1 45 . 1 1 6 6 SER HB2 H 1 3.943 0.020 . 2 . . . . 103 SER HB2 . 17664 1 46 . 1 1 6 6 SER C C 13 174.418 0.100 . 1 . . . . 103 SER C . 17664 1 47 . 1 1 6 6 SER CA C 13 58.568 0.100 . 1 . . . . 103 SER CA . 17664 1 48 . 1 1 6 6 SER CB C 13 63.935 0.100 . 1 . . . . 103 SER CB . 17664 1 49 . 1 1 6 6 SER N N 15 117.617 0.100 . 1 . . . . 103 SER N . 17664 1 50 . 1 1 7 7 CYS H H 1 8.362 0.020 . 1 . . . . 104 CYS H . 17664 1 51 . 1 1 7 7 CYS HA H 1 4.546 0.020 . 1 . . . . 104 CYS HA . 17664 1 52 . 1 1 7 7 CYS HB2 H 1 2.963 0.020 . 2 . . . . 104 CYS HB2 . 17664 1 53 . 1 1 7 7 CYS C C 13 174.581 0.100 . 1 . . . . 104 CYS C . 17664 1 54 . 1 1 7 7 CYS CA C 13 58.443 0.100 . 1 . . . . 104 CYS CA . 17664 1 55 . 1 1 7 7 CYS CB C 13 27.847 0.100 . 1 . . . . 104 CYS CB . 17664 1 56 . 1 1 7 7 CYS N N 15 120.919 0.100 . 1 . . . . 104 CYS N . 17664 1 57 . 1 1 8 8 LYS H H 1 8.461 0.020 . 1 . . . . 105 LYS H . 17664 1 58 . 1 1 8 8 LYS HA H 1 4.382 0.020 . 1 . . . . 105 LYS HA . 17664 1 59 . 1 1 8 8 LYS HB2 H 1 1.776 0.020 . 2 . . . . 105 LYS HB2 . 17664 1 60 . 1 1 8 8 LYS HB3 H 1 1.888 0.020 . 2 . . . . 105 LYS HB3 . 17664 1 61 . 1 1 8 8 LYS HG2 H 1 1.425 0.020 . 2 . . . . 105 LYS HG2 . 17664 1 62 . 1 1 8 8 LYS HG3 H 1 1.475 0.020 . 2 . . . . 105 LYS HG3 . 17664 1 63 . 1 1 8 8 LYS HD2 H 1 1.686 0.020 . 2 . . . . 105 LYS HD2 . 17664 1 64 . 1 1 8 8 LYS HE2 H 1 3.002 0.020 . 2 . . . . 105 LYS HE2 . 17664 1 65 . 1 1 8 8 LYS C C 13 176.709 0.100 . 1 . . . . 105 LYS C . 17664 1 66 . 1 1 8 8 LYS CA C 13 56.315 0.100 . 1 . . . . 105 LYS CA . 17664 1 67 . 1 1 8 8 LYS CB C 13 32.842 0.100 . 1 . . . . 105 LYS CB . 17664 1 68 . 1 1 8 8 LYS CG C 13 24.818 0.100 . 1 . . . . 105 LYS CG . 17664 1 69 . 1 1 8 8 LYS CD C 13 29.005 0.100 . 1 . . . . 105 LYS CD . 17664 1 70 . 1 1 8 8 LYS CE C 13 42.144 0.100 . 1 . . . . 105 LYS CE . 17664 1 71 . 1 1 8 8 LYS N N 15 123.900 0.100 . 1 . . . . 105 LYS N . 17664 1 72 . 1 1 9 9 THR H H 1 8.125 0.020 . 1 . . . . 106 THR H . 17664 1 73 . 1 1 9 9 THR HA H 1 4.350 0.020 . 1 . . . . 106 THR HA . 17664 1 74 . 1 1 9 9 THR HB H 1 4.162 0.020 . 1 . . . . 106 THR HB . 17664 1 75 . 1 1 9 9 THR HG21 H 1 1.159 0.020 . 1 . . . . 106 THR HG2 . 17664 1 76 . 1 1 9 9 THR HG22 H 1 1.159 0.020 . 1 . . . . 106 THR HG2 . 17664 1 77 . 1 1 9 9 THR HG23 H 1 1.159 0.020 . 1 . . . . 106 THR HG2 . 17664 1 78 . 1 1 9 9 THR C C 13 174.574 0.100 . 1 . . . . 106 THR C . 17664 1 79 . 1 1 9 9 THR CA C 13 62.035 0.100 . 1 . . . . 106 THR CA . 17664 1 80 . 1 1 9 9 THR CB C 13 69.808 0.100 . 1 . . . . 106 THR CB . 17664 1 81 . 1 1 9 9 THR CG2 C 13 21.686 0.100 . 1 . . . . 106 THR CG2 . 17664 1 82 . 1 1 9 9 THR N N 15 114.986 0.100 . 1 . . . . 106 THR N . 17664 1 83 . 1 1 10 10 SER H H 1 8.468 0.020 . 1 . . . . 107 SER H . 17664 1 84 . 1 1 10 10 SER HA H 1 4.507 0.020 . 1 . . . . 107 SER HA . 17664 1 85 . 1 1 10 10 SER HB2 H 1 3.926 0.020 . 2 . . . . 107 SER HB2 . 17664 1 86 . 1 1 10 10 SER C C 13 174.767 0.100 . 1 . . . . 107 SER C . 17664 1 87 . 1 1 10 10 SER CA C 13 58.318 0.100 . 1 . . . . 107 SER CA . 17664 1 88 . 1 1 10 10 SER CB C 13 63.779 0.100 . 1 . . . . 107 SER CB . 17664 1 89 . 1 1 10 10 SER N N 15 118.603 0.100 . 1 . . . . 107 SER N . 17664 1 90 . 1 1 11 11 TRP H H 1 8.387 0.020 . 1 . . . . 108 TRP H . 17664 1 91 . 1 1 11 11 TRP HA H 1 4.555 0.020 . 1 . . . . 108 TRP HA . 17664 1 92 . 1 1 11 11 TRP HB2 H 1 3.340 0.020 . 2 . . . . 108 TRP HB2 . 17664 1 93 . 1 1 11 11 TRP HD1 H 1 7.289 0.020 . 1 . . . . 108 TRP HD1 . 17664 1 94 . 1 1 11 11 TRP HE1 H 1 10.172 0.020 . 1 . . . . 108 TRP HE1 . 17664 1 95 . 1 1 11 11 TRP HE3 H 1 7.623 0.020 . 1 . . . . 108 TRP HE3 . 17664 1 96 . 1 1 11 11 TRP HZ2 H 1 7.521 0.020 . 1 . . . . 108 TRP HZ2 . 17664 1 97 . 1 1 11 11 TRP HZ3 H 1 7.174 0.020 . 1 . . . . 108 TRP HZ3 . 17664 1 98 . 1 1 11 11 TRP HH2 H 1 7.259 0.020 . 1 . . . . 108 TRP HH2 . 17664 1 99 . 1 1 11 11 TRP C C 13 176.618 0.100 . 1 . . . . 108 TRP C . 17664 1 100 . 1 1 11 11 TRP CB C 13 29.150 0.100 . 1 . . . . 108 TRP CB . 17664 1 101 . 1 1 11 11 TRP CD1 C 13 125.956 0.100 . 1 . . . . 108 TRP CD1 . 17664 1 102 . 1 1 11 11 TRP CE3 C 13 121.549 0.100 . 1 . . . . 108 TRP CE3 . 17664 1 103 . 1 1 11 11 TRP CZ2 C 13 114.904 0.100 . 1 . . . . 108 TRP CZ2 . 17664 1 104 . 1 1 11 11 TRP CZ3 C 13 120.440 0.100 . 1 . . . . 108 TRP CZ3 . 17664 1 105 . 1 1 11 11 TRP CH2 C 13 124.790 0.100 . 1 . . . . 108 TRP CH2 . 17664 1 106 . 1 1 11 11 TRP N N 15 123.591 0.100 . 1 . . . . 108 TRP N . 17664 1 107 . 1 1 11 11 TRP NE1 N 15 129.357 0.100 . 1 . . . . 108 TRP NE1 . 17664 1 108 . 1 1 12 12 ALA H H 1 8.087 0.020 . 1 . . . . 109 ALA H . 17664 1 109 . 1 1 12 12 ALA HA H 1 4.078 0.020 . 1 . . . . 109 ALA HA . 17664 1 110 . 1 1 12 12 ALA HB1 H 1 1.302 0.020 . 1 . . . . 109 ALA HB . 17664 1 111 . 1 1 12 12 ALA HB2 H 1 1.302 0.020 . 1 . . . . 109 ALA HB . 17664 1 112 . 1 1 12 12 ALA HB3 H 1 1.302 0.020 . 1 . . . . 109 ALA HB . 17664 1 113 . 1 1 12 12 ALA C C 13 178.304 0.100 . 1 . . . . 109 ALA C . 17664 1 114 . 1 1 12 12 ALA CA C 13 53.640 0.100 . 1 . . . . 109 ALA CA . 17664 1 115 . 1 1 12 12 ALA CB C 13 18.728 0.100 . 1 . . . . 109 ALA CB . 17664 1 116 . 1 1 12 12 ALA N N 15 122.908 0.100 . 1 . . . . 109 ALA N . 17664 1 117 . 1 1 13 13 ASP H H 1 7.978 0.020 . 1 . . . . 110 ASP H . 17664 1 118 . 1 1 13 13 ASP HA H 1 4.507 0.020 . 1 . . . . 110 ASP HA . 17664 1 119 . 1 1 13 13 ASP HB2 H 1 2.699 0.020 . 2 . . . . 110 ASP HB2 . 17664 1 120 . 1 1 13 13 ASP C C 13 176.818 0.100 . 1 . . . . 110 ASP C . 17664 1 121 . 1 1 13 13 ASP CA C 13 55.149 0.100 . 1 . . . . 110 ASP CA . 17664 1 122 . 1 1 13 13 ASP CB C 13 40.973 0.100 . 1 . . . . 110 ASP CB . 17664 1 123 . 1 1 13 13 ASP N N 15 118.118 0.100 . 1 . . . . 110 ASP N . 17664 1 124 . 1 1 14 14 ARG H H 1 7.984 0.020 . 1 . . . . 111 ARG H . 17664 1 125 . 1 1 14 14 ARG HA H 1 4.227 0.020 . 1 . . . . 111 ARG HA . 17664 1 126 . 1 1 14 14 ARG HB2 H 1 1.830 0.020 . 2 . . . . 111 ARG HB2 . 17664 1 127 . 1 1 14 14 ARG HG2 H 1 1.620 0.020 . 2 . . . . 111 ARG HG2 . 17664 1 128 . 1 1 14 14 ARG HD2 H 1 3.097 0.020 . 2 . . . . 111 ARG HD2 . 17664 1 129 . 1 1 14 14 ARG C C 13 177.381 0.100 . 1 . . . . 111 ARG C . 17664 1 130 . 1 1 14 14 ARG CA C 13 57.410 0.100 . 1 . . . . 111 ARG CA . 17664 1 131 . 1 1 14 14 ARG CB C 13 30.464 0.100 . 1 . . . . 111 ARG CB . 17664 1 132 . 1 1 14 14 ARG CG C 13 27.209 0.100 . 1 . . . . 111 ARG CG . 17664 1 133 . 1 1 14 14 ARG N N 15 120.478 0.100 . 1 . . . . 111 ARG N . 17664 1 134 . 1 1 15 15 VAL H H 1 8.017 0.020 . 1 . . . . 112 VAL H . 17664 1 135 . 1 1 15 15 VAL HA H 1 3.924 0.020 . 1 . . . . 112 VAL HA . 17664 1 136 . 1 1 15 15 VAL HB H 1 2.039 0.020 . 1 . . . . 112 VAL HB . 17664 1 137 . 1 1 15 15 VAL HG11 H 1 0.868 0.020 . 2 . . . . 112 VAL HG1 . 17664 1 138 . 1 1 15 15 VAL HG12 H 1 0.868 0.020 . 2 . . . . 112 VAL HG1 . 17664 1 139 . 1 1 15 15 VAL HG13 H 1 0.868 0.020 . 2 . . . . 112 VAL HG1 . 17664 1 140 . 1 1 15 15 VAL HG21 H 1 0.906 0.020 . 2 . . . . 112 VAL HG2 . 17664 1 141 . 1 1 15 15 VAL HG22 H 1 0.906 0.020 . 2 . . . . 112 VAL HG2 . 17664 1 142 . 1 1 15 15 VAL HG23 H 1 0.906 0.020 . 2 . . . . 112 VAL HG2 . 17664 1 143 . 1 1 15 15 VAL C C 13 177.033 0.100 . 1 . . . . 112 VAL C . 17664 1 144 . 1 1 15 15 VAL CA C 13 63.951 0.100 . 1 . . . . 112 VAL CA . 17664 1 145 . 1 1 15 15 VAL CB C 13 32.270 0.100 . 1 . . . . 112 VAL CB . 17664 1 146 . 1 1 15 15 VAL CG1 C 13 21.091 0.100 . 1 . . . . 112 VAL CG1 . 17664 1 147 . 1 1 15 15 VAL CG2 C 13 21.044 0.100 . 1 . . . . 112 VAL CG2 . 17664 1 148 . 1 1 15 15 VAL N N 15 120.220 0.100 . 1 . . . . 112 VAL N . 17664 1 149 . 1 1 16 16 ARG H H 1 8.095 0.020 . 1 . . . . 113 ARG H . 17664 1 150 . 1 1 16 16 ARG HA H 1 4.243 0.020 . 1 . . . . 113 ARG HA . 17664 1 151 . 1 1 16 16 ARG HB2 H 1 1.852 0.020 . 2 . . . . 113 ARG HB2 . 17664 1 152 . 1 1 16 16 ARG HB3 H 1 1.922 0.020 . 2 . . . . 113 ARG HB3 . 17664 1 153 . 1 1 16 16 ARG HG2 H 1 1.649 0.020 . 2 . . . . 113 ARG HG2 . 17664 1 154 . 1 1 16 16 ARG C C 13 177.191 0.100 . 1 . . . . 113 ARG C . 17664 1 155 . 1 1 16 16 ARG CA C 13 57.457 0.100 . 1 . . . . 113 ARG CA . 17664 1 156 . 1 1 16 16 ARG CB C 13 30.574 0.100 . 1 . . . . 113 ARG CB . 17664 1 157 . 1 1 16 16 ARG CG C 13 26.943 0.100 . 1 . . . . 113 ARG CG . 17664 1 158 . 1 1 16 16 ARG N N 15 123.140 0.100 . 1 . . . . 113 ARG N . 17664 1 159 . 1 1 17 17 GLU H H 1 8.300 0.020 . 1 . . . . 114 GLU H . 17664 1 160 . 1 1 17 17 GLU HA H 1 4.206 0.020 . 1 . . . . 114 GLU HA . 17664 1 161 . 1 1 17 17 GLU HB2 H 1 2.011 0.020 . 2 . . . . 114 GLU HB2 . 17664 1 162 . 1 1 17 17 GLU HB3 H 1 2.070 0.020 . 2 . . . . 114 GLU HB3 . 17664 1 163 . 1 1 17 17 GLU HG2 H 1 2.293 0.020 . 2 . . . . 114 GLU HG2 . 17664 1 164 . 1 1 17 17 GLU C C 13 176.968 0.100 . 1 . . . . 114 GLU C . 17664 1 165 . 1 1 17 17 GLU CA C 13 57.535 0.100 . 1 . . . . 114 GLU CA . 17664 1 166 . 1 1 17 17 GLU CB C 13 30.245 0.100 . 1 . . . . 114 GLU CB . 17664 1 167 . 1 1 17 17 GLU CG C 13 36.223 0.100 . 1 . . . . 114 GLU CG . 17664 1 168 . 1 1 17 17 GLU N N 15 121.128 0.100 . 1 . . . . 114 GLU N . 17664 1 169 . 1 1 18 18 ALA H H 1 8.173 0.020 . 1 . . . . 115 ALA H . 17664 1 170 . 1 1 18 18 ALA HA H 1 4.263 0.020 . 1 . . . . 115 ALA HA . 17664 1 171 . 1 1 18 18 ALA HB1 H 1 1.432 0.020 . 1 . . . . 115 ALA HB . 17664 1 172 . 1 1 18 18 ALA HB2 H 1 1.432 0.020 . 1 . . . . 115 ALA HB . 17664 1 173 . 1 1 18 18 ALA HB3 H 1 1.432 0.020 . 1 . . . . 115 ALA HB . 17664 1 174 . 1 1 18 18 ALA C C 13 178.285 0.100 . 1 . . . . 115 ALA C . 17664 1 175 . 1 1 18 18 ALA CA C 13 53.029 0.100 . 1 . . . . 115 ALA CA . 17664 1 176 . 1 1 18 18 ALA CB C 13 18.775 0.100 . 1 . . . . 115 ALA CB . 17664 1 177 . 1 1 18 18 ALA N N 15 123.879 0.100 . 1 . . . . 115 ALA N . 17664 1 178 . 1 1 19 19 ALA H H 1 8.081 0.020 . 1 . . . . 116 ALA H . 17664 1 179 . 1 1 19 19 ALA HA H 1 4.271 0.020 . 1 . . . . 116 ALA HA . 17664 1 180 . 1 1 19 19 ALA HB1 H 1 1.434 0.020 . 1 . . . . 116 ALA HB . 17664 1 181 . 1 1 19 19 ALA HB2 H 1 1.434 0.020 . 1 . . . . 116 ALA HB . 17664 1 182 . 1 1 19 19 ALA HB3 H 1 1.434 0.020 . 1 . . . . 116 ALA HB . 17664 1 183 . 1 1 19 19 ALA C C 13 178.004 0.100 . 1 . . . . 116 ALA C . 17664 1 184 . 1 1 19 19 ALA CA C 13 53.248 0.100 . 1 . . . . 116 ALA CA . 17664 1 185 . 1 1 19 19 ALA CB C 13 18.978 0.100 . 1 . . . . 116 ALA CB . 17664 1 186 . 1 1 19 19 ALA N N 15 121.929 0.100 . 1 . . . . 116 ALA N . 17664 1 187 . 1 1 20 20 ALA H H 1 8.015 0.020 . 1 . . . . 117 ALA H . 17664 1 188 . 1 1 20 20 ALA HA H 1 4.289 0.020 . 1 . . . . 117 ALA HA . 17664 1 189 . 1 1 20 20 ALA HB1 H 1 1.442 0.020 . 1 . . . . 117 ALA HB . 17664 1 190 . 1 1 20 20 ALA HB2 H 1 1.442 0.020 . 1 . . . . 117 ALA HB . 17664 1 191 . 1 1 20 20 ALA HB3 H 1 1.442 0.020 . 1 . . . . 117 ALA HB . 17664 1 192 . 1 1 20 20 ALA C C 13 177.866 0.100 . 1 . . . . 117 ALA C . 17664 1 193 . 1 1 20 20 ALA CA C 13 52.794 0.100 . 1 . . . . 117 ALA CA . 17664 1 194 . 1 1 20 20 ALA CB C 13 18.869 0.100 . 1 . . . . 117 ALA CB . 17664 1 195 . 1 1 20 20 ALA N N 15 121.880 0.100 . 1 . . . . 117 ALA N . 17664 1 196 . 1 1 21 21 GLN H H 1 8.092 0.020 . 1 . . . . 118 GLN H . 17664 1 197 . 1 1 21 21 GLN HA H 1 4.329 0.020 . 1 . . . . 118 GLN HA . 17664 1 198 . 1 1 21 21 GLN HB2 H 1 2.025 0.020 . 2 . . . . 118 GLN HB2 . 17664 1 199 . 1 1 21 21 GLN HB3 H 1 2.142 0.020 . 2 . . . . 118 GLN HB3 . 17664 1 200 . 1 1 21 21 GLN HG2 H 1 2.418 0.020 . 2 . . . . 118 GLN HG2 . 17664 1 201 . 1 1 21 21 GLN HE21 H 1 7.561 0.020 . 2 . . . . 118 GLN HE21 . 17664 1 202 . 1 1 21 21 GLN HE22 H 1 6.879 0.020 . 2 . . . . 118 GLN HE22 . 17664 1 203 . 1 1 21 21 GLN C C 13 175.803 0.100 . 1 . . . . 118 GLN C . 17664 1 204 . 1 1 21 21 GLN CA C 13 55.865 0.100 . 1 . . . . 118 GLN CA . 17664 1 205 . 1 1 21 21 GLN CB C 13 29.253 0.100 . 1 . . . . 118 GLN CB . 17664 1 206 . 1 1 21 21 GLN CG C 13 33.785 0.100 . 1 . . . . 118 GLN CG . 17664 1 207 . 1 1 21 21 GLN N N 15 118.435 0.100 . 1 . . . . 118 GLN N . 17664 1 208 . 1 1 21 21 GLN NE2 N 15 112.388 0.100 . 1 . . . . 118 GLN NE2 . 17664 1 209 . 1 1 22 22 ARG H H 1 8.216 0.020 . 1 . . . . 119 ARG H . 17664 1 210 . 1 1 22 22 ARG HA H 1 4.377 0.020 . 1 . . . . 119 ARG HA . 17664 1 211 . 1 1 22 22 ARG HB2 H 1 1.808 0.020 . 2 . . . . 119 ARG HB2 . 17664 1 212 . 1 1 22 22 ARG HB3 H 1 1.925 0.020 . 2 . . . . 119 ARG HB3 . 17664 1 213 . 1 1 22 22 ARG HG2 H 1 1.678 0.020 . 2 . . . . 119 ARG HG2 . 17664 1 214 . 1 1 22 22 ARG HD2 H 1 3.216 0.020 . 2 . . . . 119 ARG HD2 . 17664 1 215 . 1 1 22 22 ARG C C 13 175.266 0.100 . 1 . . . . 119 ARG C . 17664 1 216 . 1 1 22 22 ARG CA C 13 56.523 0.100 . 1 . . . . 119 ARG CA . 17664 1 217 . 1 1 22 22 ARG CB C 13 30.769 0.100 . 1 . . . . 119 ARG CB . 17664 1 218 . 1 1 22 22 ARG CG C 13 27.178 0.100 . 1 . . . . 119 ARG CG . 17664 1 219 . 1 1 22 22 ARG N N 15 122.481 0.100 . 1 . . . . 119 ARG N . 17664 1 220 . 1 1 23 23 ARG H H 1 8.011 0.020 . 1 . . . . 120 ARG H . 17664 1 221 . 1 1 23 23 ARG HA H 1 4.218 0.020 . 1 . . . . 120 ARG HA . 17664 1 222 . 1 1 23 23 ARG HB2 H 1 1.735 0.020 . 2 . . . . 120 ARG HB2 . 17664 1 223 . 1 1 23 23 ARG HB3 H 1 1.874 0.020 . 2 . . . . 120 ARG HB3 . 17664 1 224 . 1 1 23 23 ARG HG2 H 1 1.623 0.020 . 2 . . . . 120 ARG HG2 . 17664 1 225 . 1 1 23 23 ARG HD2 H 1 3.205 0.020 . 2 . . . . 120 ARG HD2 . 17664 1 226 . 1 1 23 23 ARG CA C 13 57.191 0.100 . 1 . . . . 120 ARG CA . 17664 1 227 . 1 1 23 23 ARG CB C 13 31.613 0.100 . 1 . . . . 120 ARG CB . 17664 1 228 . 1 1 23 23 ARG N N 15 127.811 0.100 . 1 . . . . 120 ARG N . 17664 1 stop_ save_