data_51391 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51391 _Entry.Title ; NMR Evidence for the Conformational Change of Phage Protein gVp Upon Binding to ssDNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-07 _Entry.Accession_date 2022-04-07 _Entry.Last_release_date 2022-04-07 _Entry.Original_release_date 2022-04-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Smadar Kedem . . . . 51391 2 'Roni Rene' Hassid . . . . 51391 3 Yoav Shamir . . . . 51391 4 Amir Goldbourt . . . 0000-0002-7307-3417 51391 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51391 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 405 51391 '15N chemical shifts' 92 51391 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 . . 2022-07-05 . original BMRB . 51391 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51391 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35746735 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational Changes in Ff Phage Protein gVp upon Complexation with Its Viral Single-Stranded DNA Revealed Using Magic-Angle Spinning Solid-State NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Viruses _Citation.Journal_name_full Viruses _Citation.Journal_volume 14 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1999-4915 _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 1264 _Citation.Page_last 1264 _Citation.Year 2022 _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 Smadar Kedem . . . . 51391 1 2 'Roni Rene' Hassid . . . . 51391 1 3 Yoav Shamir . . . . 51391 1 4 Amir Goldbourt . . . . 51391 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51391 _Assembly.ID 1 _Assembly.Name gVp _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 gVp 1 $entity_1 . . yes native no no . . . 51391 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51391 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MIKVEIKPSQAQFTTRSGVS RQGKPYSLNEQLCYVDLGNE YPVLVKITLDEGQPAYAPGL YTVHLSSFKVGQFGSLMIDR LRLVPAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51391 1 2 . ILE . 51391 1 3 . LYS . 51391 1 4 . VAL . 51391 1 5 . GLU . 51391 1 6 . ILE . 51391 1 7 . LYS . 51391 1 8 . PRO . 51391 1 9 . SER . 51391 1 10 . GLN . 51391 1 11 . ALA . 51391 1 12 . GLN . 51391 1 13 . PHE . 51391 1 14 . THR . 51391 1 15 . THR . 51391 1 16 . ARG . 51391 1 17 . SER . 51391 1 18 . GLY . 51391 1 19 . VAL . 51391 1 20 . SER . 51391 1 21 . ARG . 51391 1 22 . GLN . 51391 1 23 . GLY . 51391 1 24 . LYS . 51391 1 25 . PRO . 51391 1 26 . TYR . 51391 1 27 . SER . 51391 1 28 . LEU . 51391 1 29 . ASN . 51391 1 30 . GLU . 51391 1 31 . GLN . 51391 1 32 . LEU . 51391 1 33 . CYS . 51391 1 34 . TYR . 51391 1 35 . VAL . 51391 1 36 . ASP . 51391 1 37 . LEU . 51391 1 38 . GLY . 51391 1 39 . ASN . 51391 1 40 . GLU . 51391 1 41 . TYR . 51391 1 42 . PRO . 51391 1 43 . VAL . 51391 1 44 . LEU . 51391 1 45 . VAL . 51391 1 46 . LYS . 51391 1 47 . ILE . 51391 1 48 . THR . 51391 1 49 . LEU . 51391 1 50 . ASP . 51391 1 51 . GLU . 51391 1 52 . GLY . 51391 1 53 . GLN . 51391 1 54 . PRO . 51391 1 55 . ALA . 51391 1 56 . TYR . 51391 1 57 . ALA . 51391 1 58 . PRO . 51391 1 59 . GLY . 51391 1 60 . LEU . 51391 1 61 . TYR . 51391 1 62 . THR . 51391 1 63 . VAL . 51391 1 64 . HIS . 51391 1 65 . LEU . 51391 1 66 . SER . 51391 1 67 . SER . 51391 1 68 . PHE . 51391 1 69 . LYS . 51391 1 70 . VAL . 51391 1 71 . GLY . 51391 1 72 . GLN . 51391 1 73 . PHE . 51391 1 74 . GLY . 51391 1 75 . SER . 51391 1 76 . LEU . 51391 1 77 . MET . 51391 1 78 . ILE . 51391 1 79 . ASP . 51391 1 80 . ARG . 51391 1 81 . LEU . 51391 1 82 . ARG . 51391 1 83 . LEU . 51391 1 84 . VAL . 51391 1 85 . PRO . 51391 1 86 . ALA . 51391 1 87 . LYS . 51391 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51391 1 . ILE 2 2 51391 1 . LYS 3 3 51391 1 . VAL 4 4 51391 1 . GLU 5 5 51391 1 . ILE 6 6 51391 1 . LYS 7 7 51391 1 . PRO 8 8 51391 1 . SER 9 9 51391 1 . GLN 10 10 51391 1 . ALA 11 11 51391 1 . GLN 12 12 51391 1 . PHE 13 13 51391 1 . THR 14 14 51391 1 . THR 15 15 51391 1 . ARG 16 16 51391 1 . SER 17 17 51391 1 . GLY 18 18 51391 1 . VAL 19 19 51391 1 . SER 20 20 51391 1 . ARG 21 21 51391 1 . GLN 22 22 51391 1 . GLY 23 23 51391 1 . LYS 24 24 51391 1 . PRO 25 25 51391 1 . TYR 26 26 51391 1 . SER 27 27 51391 1 . LEU 28 28 51391 1 . ASN 29 29 51391 1 . GLU 30 30 51391 1 . GLN 31 31 51391 1 . LEU 32 32 51391 1 . CYS 33 33 51391 1 . TYR 34 34 51391 1 . VAL 35 35 51391 1 . ASP 36 36 51391 1 . LEU 37 37 51391 1 . GLY 38 38 51391 1 . ASN 39 39 51391 1 . GLU 40 40 51391 1 . TYR 41 41 51391 1 . PRO 42 42 51391 1 . VAL 43 43 51391 1 . LEU 44 44 51391 1 . VAL 45 45 51391 1 . LYS 46 46 51391 1 . ILE 47 47 51391 1 . THR 48 48 51391 1 . LEU 49 49 51391 1 . ASP 50 50 51391 1 . GLU 51 51 51391 1 . GLY 52 52 51391 1 . GLN 53 53 51391 1 . PRO 54 54 51391 1 . ALA 55 55 51391 1 . TYR 56 56 51391 1 . ALA 57 57 51391 1 . PRO 58 58 51391 1 . GLY 59 59 51391 1 . LEU 60 60 51391 1 . TYR 61 61 51391 1 . THR 62 62 51391 1 . VAL 63 63 51391 1 . HIS 64 64 51391 1 . LEU 65 65 51391 1 . SER 66 66 51391 1 . SER 67 67 51391 1 . PHE 68 68 51391 1 . LYS 69 69 51391 1 . VAL 70 70 51391 1 . GLY 71 71 51391 1 . GLN 72 72 51391 1 . PHE 73 73 51391 1 . GLY 74 74 51391 1 . SER 75 75 51391 1 . LEU 76 76 51391 1 . MET 77 77 51391 1 . ILE 78 78 51391 1 . ASP 79 79 51391 1 . ARG 80 80 51391 1 . LEU 81 81 51391 1 . ARG 82 82 51391 1 . LEU 83 83 51391 1 . VAL 84 84 51391 1 . PRO 85 85 51391 1 . ALA 86 86 51391 1 . LYS 87 87 51391 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51391 _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_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . 51391 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51391 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pET-30b . . . 51391 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51391 _Sample.ID 1 _Sample.Name 'U-13C/15N gVp in complex with fd ssDNA' _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '200mM NaCl, 1mM EDTA and 10mM Tris-HCl (pH 7.4)' _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 'gVp from fd bacteriophage' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . g/L 50 . . . 51391 1 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 51391 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51391 1 4 Tris-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 51391 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51391 _Sample.ID 2 _Sample.Name '[1,3-13C]-glycerol-labeled gVp in complex with fd ssDNA' _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '200mM NaCl, 1mM EDTA and 10mM Tris-HCl (pH 7.4)' _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 'gVp from fd bacteriophage' [1,3-13C]-glycerol . . 1 $entity_1 . . 200 . . g/L 50 . . . 51391 2 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 51391 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51391 2 4 Tris-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 51391 2 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 51391 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details 'temperature controller setting' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 51391 1 temperature 263 . K 51391 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51391 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version v9.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51391 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51391 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51391 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D DARR5' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 2 '2D DARR15' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 3 '2D DARR100' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 4 '2D DARR250' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 5 '2D RFDR6' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 6 '2D INADEQUATE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 7 '3D NCOCX25' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 8 '3D NCACX25' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 9 '2D DARR5' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 10 '2D DARR15' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 11 '2D DARR100' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 12 '2D DARR300' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 13 '2D NCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 14 '2D NCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 15 '3D NCOCX100' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 16 '3D NCACX100' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 17 '2D CORD150' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 18 '2D CORD300' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51391 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51391 _Computing_platform.ID 1 _Computing_platform.Name 'Linux Ubuntu' _Computing_platform.Reference_ID . _Computing_platform.Site 'Tel Aviv University' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51391 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name set1 _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 C 13 adamantane 'methylene carbon' . . . . ppm 40.48 external indirect 1 . . . . . 51391 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 39.27 external indirect 1 . . . . . 51391 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51391 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NMR Evidence for the Conformational Change of Phage Protein gVp Upon Binding to ssDNA' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 DARR5' . . . 51391 1 2 '2D DARR15' . . . 51391 1 3 '2D DARR100' . . . 51391 1 4 '2D DARR250' . . . 51391 1 5 '2D RFDR6' . . . 51391 1 6 '2D INADEQUATE' . . . 51391 1 7 '3D NCOCX25' . . . 51391 1 8 '3D NCACX25' . . . 51391 1 9 '2D DARR5' . . . 51391 1 10 '2D DARR15' . . . 51391 1 11 '2D DARR100' . . . 51391 1 12 '2D DARR300' . . . 51391 1 13 '2D NCA' . . . 51391 1 14 '2D NCO' . . . 51391 1 15 '3D NCOCX100' . . . 51391 1 16 '3D NCACX100' . . . 51391 1 17 '2D CORD150' . . . 51391 1 18 '2D CORD300' . . . 51391 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51391 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 MET C C 13 177.6 0.1 . 1 . . . . . 1 M C . 51391 1 2 . 1 . 1 1 1 MET CA C 13 55.8 0.1 . 1 . . . . . 1 M CA . 51391 1 3 . 1 . 1 2 2 ILE C C 13 174.9 0.1 . 1 . . . . . 2 I C . 51391 1 4 . 1 . 1 2 2 ILE CA C 13 61.1 0.1 . 1 . . . . . 2 I CA . 51391 1 5 . 1 . 1 2 2 ILE CB C 13 39.1 0.1 . 1 . . . . . 2 I CB . 51391 1 6 . 1 . 1 2 2 ILE CG1 C 13 27.3 0.1 . 1 . . . . . 2 I CG1 . 51391 1 7 . 1 . 1 2 2 ILE CG2 C 13 18.2 0.1 . 1 . . . . . 2 I CG2 . 51391 1 8 . 1 . 1 2 2 ILE CD1 C 13 12.7 0.1 . 1 . . . . . 2 I CD1 . 51391 1 9 . 1 . 1 2 2 ILE N N 15 123.7 0.2 . 1 . . . . . 2 I N . 51391 1 10 . 1 . 1 3 3 LYS C C 13 175.1 0.1 . 1 . . . . . 3 K C . 51391 1 11 . 1 . 1 3 3 LYS CA C 13 56.8 0.1 . 1 . . . . . 3 K CA . 51391 1 12 . 1 . 1 3 3 LYS CB C 13 33.2 0.1 . 1 . . . . . 3 K CB . 51391 1 13 . 1 . 1 3 3 LYS CG C 13 25.2 0.1 . 1 . . . . . 3 K CG . 51391 1 14 . 1 . 1 3 3 LYS CE C 13 41.7 0.1 . 1 . . . . . 3 K CE . 51391 1 15 . 1 . 1 3 3 LYS N N 15 127.9 0.2 . 1 . . . . . 3 K N . 51391 1 16 . 1 . 1 4 4 VAL C C 13 173.3 0.1 . 1 . . . . . 4 V C . 51391 1 17 . 1 . 1 4 4 VAL CA C 13 60.2 0.1 . 1 . . . . . 4 V CA . 51391 1 18 . 1 . 1 4 4 VAL CB C 13 35.8 0.1 . 1 . . . . . 4 V CB . 51391 1 19 . 1 . 1 4 4 VAL CG1 C 13 23.2 0.1 . 2 . . . . . 4 V CG1 . 51391 1 20 . 1 . 1 4 4 VAL CG2 C 13 21.7 0.1 . 2 . . . . . 4 V CG2 . 51391 1 21 . 1 . 1 4 4 VAL N N 15 123.3 0.2 . 1 . . . . . 4 V N . 51391 1 22 . 1 . 1 5 5 GLU C C 13 174.3 0.1 . 1 . . . . . 5 E C . 51391 1 23 . 1 . 1 5 5 GLU CA C 13 54.0 0.1 . 1 . . . . . 5 E CA . 51391 1 24 . 1 . 1 5 5 GLU CB C 13 33.6 0.1 . 1 . . . . . 5 E CB . 51391 1 25 . 1 . 1 5 5 GLU CG C 13 36.4 0.1 . 1 . . . . . 5 E CG . 51391 1 26 . 1 . 1 5 5 GLU CD C 13 182.8 0.1 . 1 . . . . . 5 E CD . 51391 1 27 . 1 . 1 5 5 GLU N N 15 127.7 0.2 . 1 . . . . . 5 E N . 51391 1 28 . 1 . 1 6 6 ILE C C 13 178.0 0.1 . 1 . . . . . 6 I C . 51391 1 29 . 1 . 1 6 6 ILE CA C 13 59.6 0.1 . 1 . . . . . 6 I CA . 51391 1 30 . 1 . 1 6 6 ILE CB C 13 38.4 0.1 . 1 . . . . . 6 I CB . 51391 1 31 . 1 . 1 6 6 ILE CG1 C 13 28.2 0.1 . 1 . . . . . 6 I CG1 . 51391 1 32 . 1 . 1 6 6 ILE CG2 C 13 16.5 0.1 . 1 . . . . . 6 I CG2 . 51391 1 33 . 1 . 1 6 6 ILE CD1 C 13 12.6 0.1 . 1 . . . . . 6 I CD1 . 51391 1 34 . 1 . 1 6 6 ILE N N 15 126.2 0.2 . 1 . . . . . 6 I N . 51391 1 35 . 1 . 1 7 7 LYS C C 13 176.1 0.1 . 1 . . . . . 7 K C . 51391 1 36 . 1 . 1 7 7 LYS CA C 13 55.0 0.1 . 1 . . . . . 7 K CA . 51391 1 37 . 1 . 1 7 7 LYS CB C 13 33.1 0.1 . 1 . . . . . 7 K CB . 51391 1 38 . 1 . 1 7 7 LYS CG C 13 25.2 0.1 . 1 . . . . . 7 K CG . 51391 1 39 . 1 . 1 7 7 LYS CD C 13 29.2 0.1 . 1 . . . . . 7 K CD . 51391 1 40 . 1 . 1 7 7 LYS CE C 13 41.7 0.1 . 1 . . . . . 7 K CE . 51391 1 41 . 1 . 1 7 7 LYS N N 15 128.2 0.2 . 1 . . . . . 7 K N . 51391 1 42 . 1 . 1 8 8 PRO C C 13 178.5 0.1 . 1 . . . . . 8 P C . 51391 1 43 . 1 . 1 8 8 PRO CA C 13 66.4 0.1 . 1 . . . . . 8 P CA . 51391 1 44 . 1 . 1 8 8 PRO CB C 13 31.4 0.1 . 1 . . . . . 8 P CB . 51391 1 45 . 1 . 1 8 8 PRO CG C 13 28.2 0.1 . 1 . . . . . 8 P CG . 51391 1 46 . 1 . 1 8 8 PRO CD C 13 49.7 0.1 . 1 . . . . . 8 P CD . 51391 1 47 . 1 . 1 8 8 PRO N N 15 135.0 0.2 . 1 . . . . . 8 P N . 51391 1 48 . 1 . 1 9 9 SER C C 13 175.3 0.1 . 1 . . . . . 9 S C . 51391 1 49 . 1 . 1 9 9 SER CA C 13 59.5 0.1 . 1 . . . . . 9 S CA . 51391 1 50 . 1 . 1 9 9 SER CB C 13 62.1 0.1 . 1 . . . . . 9 S CB . 51391 1 51 . 1 . 1 9 9 SER N N 15 109.6 0.2 . 1 . . . . . 9 S N . 51391 1 52 . 1 . 1 10 10 GLN C C 13 176.0 0.1 . 1 . . . . . 10 Q C . 51391 1 53 . 1 . 1 10 10 GLN CA C 13 55.0 0.1 . 1 . . . . . 10 Q CA . 51391 1 54 . 1 . 1 10 10 GLN CB C 13 28.8 0.1 . 1 . . . . . 10 Q CB . 51391 1 55 . 1 . 1 10 10 GLN CG C 13 35.8 0.1 . 1 . . . . . 10 Q CG . 51391 1 56 . 1 . 1 10 10 GLN N N 15 122.1 0.2 . 1 . . . . . 10 Q N . 51391 1 57 . 1 . 1 10 10 GLN NE2 N 15 109.1 0.2 . 1 . . . . . 10 Q NE2 . 51391 1 58 . 1 . 1 11 11 ALA C C 13 175.2 0.1 . 1 . . . . . 11 A C . 51391 1 59 . 1 . 1 11 11 ALA CA C 13 53.4 0.1 . 1 . . . . . 11 A CA . 51391 1 60 . 1 . 1 11 11 ALA CB C 13 19.2 0.1 . 1 . . . . . 11 A CB . 51391 1 61 . 1 . 1 11 11 ALA N N 15 121.4 0.2 . 1 . . . . . 11 A N . 51391 1 62 . 1 . 1 12 12 GLN C C 13 174.7 0.1 . 1 . . . . . 12 Q C . 51391 1 63 . 1 . 1 12 12 GLN CA C 13 53.9 0.1 . 1 . . . . . 12 Q CA . 51391 1 64 . 1 . 1 12 12 GLN CB C 13 30.0 0.1 . 1 . . . . . 12 Q CB . 51391 1 65 . 1 . 1 12 12 GLN CG C 13 32.8 0.1 . 1 . . . . . 12 Q CG . 51391 1 66 . 1 . 1 12 12 GLN CD C 13 180.2 0.1 . 1 . . . . . 12 Q CD . 51391 1 67 . 1 . 1 12 12 GLN N N 15 114.1 0.2 . 1 . . . . . 12 Q N . 51391 1 68 . 1 . 1 12 12 GLN NE2 N 15 112.4 0.2 . 1 . . . . . 12 Q NE2 . 51391 1 69 . 1 . 1 13 13 PHE C C 13 175.2 0.1 . 1 . . . . . 13 F C . 51391 1 70 . 1 . 1 13 13 PHE CA C 13 54.7 0.1 . 1 . . . . . 13 F CA . 51391 1 71 . 1 . 1 13 13 PHE CB C 13 41.3 0.1 . 1 . . . . . 13 F CB . 51391 1 72 . 1 . 1 13 13 PHE CG C 13 136.6 0.1 . 1 . . . . . 13 F CG . 51391 1 73 . 1 . 1 13 13 PHE CD1 C 13 132.0 0.1 . 3 . . . . . 13 F CD1 . 51391 1 74 . 1 . 1 13 13 PHE CD2 C 13 131.9 0.1 . 3 . . . . . 13 F CD2 . 51391 1 75 . 1 . 1 13 13 PHE CE1 C 13 130.8 0.1 . 3 . . . . . 13 F CE1 . 51391 1 76 . 1 . 1 13 13 PHE CE2 C 13 130.3 0.1 . 3 . . . . . 13 F CE2 . 51391 1 77 . 1 . 1 13 13 PHE CZ C 13 129.0 0.1 . 1 . . . . . 13 F CZ . 51391 1 78 . 1 . 1 13 13 PHE N N 15 116.1 0.2 . 1 . . . . . 13 F N . 51391 1 79 . 1 . 1 14 14 THR C C 13 173.9 0.1 . 1 . . . . . 14 T C . 51391 1 80 . 1 . 1 14 14 THR CA C 13 60.8 0.1 . 1 . . . . . 14 T CA . 51391 1 81 . 1 . 1 14 14 THR CB C 13 70.9 0.1 . 1 . . . . . 14 T CB . 51391 1 82 . 1 . 1 14 14 THR CG2 C 13 21.8 0.1 . 1 . . . . . 14 T CG2 . 51391 1 83 . 1 . 1 14 14 THR N N 15 114.4 0.2 . 1 . . . . . 14 T N . 51391 1 84 . 1 . 1 15 15 THR C C 13 174.0 0.1 . 1 . . . . . 15 T C . 51391 1 85 . 1 . 1 15 15 THR CA C 13 62.3 0.1 . 1 . . . . . 15 T CA . 51391 1 86 . 1 . 1 15 15 THR CB C 13 68.9 0.1 . 1 . . . . . 15 T CB . 51391 1 87 . 1 . 1 15 15 THR CG2 C 13 22.1 0.1 . 1 . . . . . 15 T CG2 . 51391 1 88 . 1 . 1 15 15 THR N N 15 122.9 0.2 . 1 . . . . . 15 T N . 51391 1 89 . 1 . 1 16 16 ARG C C 13 173.5 0.1 . 1 . . . . . 16 R C . 51391 1 90 . 1 . 1 16 16 ARG CA C 13 53.9 0.1 . 1 . . . . . 16 R CA . 51391 1 91 . 1 . 1 16 16 ARG CB C 13 33.0 0.1 . 1 . . . . . 16 R CB . 51391 1 92 . 1 . 1 16 16 ARG CG C 13 27.1 0.1 . 1 . . . . . 16 R CG . 51391 1 93 . 1 . 1 16 16 ARG CZ C 13 157.1 0.1 . 1 . . . . . 16 R CZ . 51391 1 94 . 1 . 1 16 16 ARG N N 15 127.7 0.2 . 1 . . . . . 16 R N . 51391 1 95 . 1 . 1 17 17 SER C C 13 173.0 0.1 . 1 . . . . . 17 S C . 51391 1 96 . 1 . 1 17 17 SER CA C 13 55.9 0.1 . 1 . . . . . 17 S CA . 51391 1 97 . 1 . 1 17 17 SER CB C 13 66.1 0.1 . 1 . . . . . 17 S CB . 51391 1 98 . 1 . 1 17 17 SER N N 15 118.3 0.2 . 1 . . . . . 17 S N . 51391 1 99 . 1 . 1 18 18 GLY C C 13 175.1 0.1 . 1 . . . . . 18 G C . 51391 1 100 . 1 . 1 18 18 GLY CA C 13 45.3 0.1 . 1 . . . . . 18 G CA . 51391 1 101 . 1 . 1 18 18 GLY N N 15 106.7 0.2 . 1 . . . . . 18 G N . 51391 1 102 . 1 . 1 19 19 VAL C C 13 173.1 0.1 . 1 . . . . . 19 V C . 51391 1 103 . 1 . 1 19 19 VAL CA C 13 58.0 0.1 . 1 . . . . . 19 V CA . 51391 1 104 . 1 . 1 19 19 VAL CB C 13 34.2 0.1 . 1 . . . . . 19 V CB . 51391 1 105 . 1 . 1 19 19 VAL CG1 C 13 21.8 0.1 . 2 . . . . . 19 V CG1 . 51391 1 106 . 1 . 1 19 19 VAL CG2 C 13 19.5 0.1 . 2 . . . . . 19 V CG2 . 51391 1 107 . 1 . 1 19 19 VAL N N 15 116.4 0.2 . 1 . . . . . 19 V N . 51391 1 108 . 1 . 1 20 20 SER C C 13 173.3 0.1 . 1 . . . . . 20 S C . 51391 1 109 . 1 . 1 20 20 SER CA C 13 57.2 0.1 . 1 . . . . . 20 S CA . 51391 1 110 . 1 . 1 20 20 SER CB C 13 63.9 0.1 . 1 . . . . . 20 S CB . 51391 1 111 . 1 . 1 20 20 SER N N 15 127.2 0.2 . 1 . . . . . 20 S N . 51391 1 112 . 1 . 1 21 21 ARG C C 13 177.5 0.1 . 1 . . . . . 21 R C . 51391 1 113 . 1 . 1 21 21 ARG CA C 13 53.8 0.1 . 1 . . . . . 21 R CA . 51391 1 114 . 1 . 1 21 21 ARG CB C 13 30.6 0.1 . 1 . . . . . 21 R CB . 51391 1 115 . 1 . 1 21 21 ARG CG C 13 27.8 0.1 . 1 . . . . . 21 R CG . 51391 1 116 . 1 . 1 21 21 ARG CD C 13 43.1 0.1 . 1 . . . . . 21 R CD . 51391 1 117 . 1 . 1 21 21 ARG CZ C 13 159.2 0.1 . 1 . . . . . 21 R CZ . 51391 1 118 . 1 . 1 21 21 ARG N N 15 126.4 0.2 . 1 . . . . . 21 R N . 51391 1 119 . 1 . 1 22 22 GLN C C 13 178.6 0.1 . 1 . . . . . 22 Q C . 51391 1 120 . 1 . 1 22 22 GLN CA C 13 54.4 0.1 . 1 . . . . . 22 Q CA . 51391 1 121 . 1 . 1 22 22 GLN CB C 13 28.7 0.1 . 1 . . . . . 22 Q CB . 51391 1 122 . 1 . 1 22 22 GLN CG C 13 33.1 0.1 . 1 . . . . . 22 Q CG . 51391 1 123 . 1 . 1 22 22 GLN CD C 13 172.7 0.1 . 1 . . . . . 22 Q CD . 51391 1 124 . 1 . 1 22 22 GLN N N 15 126.2 0.2 . 1 . . . . . 22 Q N . 51391 1 125 . 1 . 1 22 22 GLN NE2 N 15 108.7 0.2 . 1 . . . . . 22 Q NE2 . 51391 1 126 . 1 . 1 23 23 GLY C C 13 171.3 0.1 . 1 . . . . . 23 G C . 51391 1 127 . 1 . 1 23 23 GLY CA C 13 45.1 0.1 . 1 . . . . . 23 G CA . 51391 1 128 . 1 . 1 23 23 GLY N N 15 108.8 0.2 . 1 . . . . . 23 G N . 51391 1 129 . 1 . 1 24 24 LYS C C 13 173.0 0.1 . 1 . . . . . 24 K C . 51391 1 130 . 1 . 1 24 24 LYS CA C 13 54.1 0.1 . 1 . . . . . 24 K CA . 51391 1 131 . 1 . 1 24 24 LYS CB C 13 35.5 0.1 . 1 . . . . . 24 K CB . 51391 1 132 . 1 . 1 24 24 LYS CG C 13 21.0 0.1 . 1 . . . . . 24 K CG . 51391 1 133 . 1 . 1 24 24 LYS CD C 13 29.2 0.1 . 1 . . . . . 24 K CD . 51391 1 134 . 1 . 1 24 24 LYS CE C 13 41.9 0.1 . 1 . . . . . 24 K CE . 51391 1 135 . 1 . 1 24 24 LYS N N 15 121.6 0.2 . 1 . . . . . 24 K N . 51391 1 136 . 1 . 1 25 25 PRO C C 13 175.0 0.1 . 1 . . . . . 25 P C . 51391 1 137 . 1 . 1 25 25 PRO CA C 13 60.6 0.1 . 1 . . . . . 25 P CA . 51391 1 138 . 1 . 1 25 25 PRO CB C 13 34.4 0.1 . 1 . . . . . 25 P CB . 51391 1 139 . 1 . 1 25 25 PRO CG C 13 27.1 0.1 . 1 . . . . . 25 P CG . 51391 1 140 . 1 . 1 25 25 PRO CD C 13 49.4 0.1 . 1 . . . . . 25 P CD . 51391 1 141 . 1 . 1 25 25 PRO N N 15 137.6 0.2 . 1 . . . . . 25 P N . 51391 1 142 . 1 . 1 26 26 TYR C C 13 180.1 0.1 . 1 . . . . . 26 Y C . 51391 1 143 . 1 . 1 26 26 TYR CA C 13 54.0 0.1 . 1 . . . . . 26 Y CA . 51391 1 144 . 1 . 1 26 26 TYR CB C 13 41.2 0.1 . 1 . . . . . 26 Y CB . 51391 1 145 . 1 . 1 26 26 TYR CD1 C 13 131.8 0.1 . 3 . . . . . 26 Y CD1 . 51391 1 146 . 1 . 1 26 26 TYR CD2 C 13 134.0 0.1 . 3 . . . . . 26 Y CD2 . 51391 1 147 . 1 . 1 26 26 TYR N N 15 120.7 0.2 . 1 . . . . . 26 Y N . 51391 1 148 . 1 . 1 27 27 SER C C 13 176.0 0.1 . 1 . . . . . 27 S C . 51391 1 149 . 1 . 1 27 27 SER CA C 13 57.2 0.1 . 1 . . . . . 27 S CA . 51391 1 150 . 1 . 1 27 27 SER CB C 13 66.5 0.1 . 1 . . . . . 27 S CB . 51391 1 151 . 1 . 1 27 27 SER N N 15 124.0 0.2 . 1 . . . . . 27 S N . 51391 1 152 . 1 . 1 28 28 LEU C C 13 174.2 0.1 . 1 . . . . . 28 L C . 51391 1 153 . 1 . 1 28 28 LEU CA C 13 55.7 0.1 . 1 . . . . . 28 L CA . 51391 1 154 . 1 . 1 28 28 LEU CB C 13 41.4 0.1 . 1 . . . . . 28 L CB . 51391 1 155 . 1 . 1 28 28 LEU CG C 13 27.2 0.1 . 1 . . . . . 28 L CG . 51391 1 156 . 1 . 1 28 28 LEU CD1 C 13 26.1 0.1 . 2 . . . . . 28 L CD1 . 51391 1 157 . 1 . 1 28 28 LEU CD2 C 13 22.1 0.1 . 2 . . . . . 28 L CD2 . 51391 1 158 . 1 . 1 28 28 LEU N N 15 123.3 0.2 . 1 . . . . . 28 L N . 51391 1 159 . 1 . 1 29 29 ASN C C 13 174.1 0.1 . 1 . . . . . 29 N C . 51391 1 160 . 1 . 1 29 29 ASN CA C 13 50.8 0.1 . 1 . . . . . 29 N CA . 51391 1 161 . 1 . 1 29 29 ASN CB C 13 38.9 0.1 . 1 . . . . . 29 N CB . 51391 1 162 . 1 . 1 29 29 ASN CG C 13 176.6 0.1 . 1 . . . . . 29 N CG . 51391 1 163 . 1 . 1 29 29 ASN N N 15 121.4 0.2 . 1 . . . . . 29 N N . 51391 1 164 . 1 . 1 29 29 ASN ND2 N 15 112.7 0.2 . 1 . . . . . 29 N ND2 . 51391 1 165 . 1 . 1 30 30 GLU C C 13 174.6 0.1 . 1 . . . . . 30 E C . 51391 1 166 . 1 . 1 30 30 GLU CA C 13 53.8 0.1 . 1 . . . . . 30 E CA . 51391 1 167 . 1 . 1 30 30 GLU CB C 13 33.5 0.1 . 1 . . . . . 30 E CB . 51391 1 168 . 1 . 1 30 30 GLU CG C 13 35.9 0.1 . 1 . . . . . 30 E CG . 51391 1 169 . 1 . 1 30 30 GLU CD C 13 183.7 0.1 . 1 . . . . . 30 E CD . 51391 1 170 . 1 . 1 30 30 GLU N N 15 120.2 0.2 . 1 . . . . . 30 E N . 51391 1 171 . 1 . 1 31 31 GLN C C 13 176.0 0.1 . 1 . . . . . 31 Q C . 51391 1 172 . 1 . 1 31 31 GLN CA C 13 55.5 0.1 . 1 . . . . . 31 Q CA . 51391 1 173 . 1 . 1 31 31 GLN CB C 13 28.7 0.1 . 1 . . . . . 31 Q CB . 51391 1 174 . 1 . 1 31 31 GLN CG C 13 34.2 0.1 . 1 . . . . . 31 Q CG . 51391 1 175 . 1 . 1 31 31 GLN CD C 13 180.2 0.1 . 1 . . . . . 31 Q CD . 51391 1 176 . 1 . 1 31 31 GLN N N 15 114.9 0.2 . 1 . . . . . 31 Q N . 51391 1 177 . 1 . 1 31 31 GLN NE2 N 15 111.8 0.2 . 1 . . . . . 31 Q NE2 . 51391 1 178 . 1 . 1 32 32 LEU C C 13 173.7 0.1 . 1 . . . . . 32 L C . 51391 1 179 . 1 . 1 32 32 LEU CA C 13 53.9 0.1 . 1 . . . . . 32 L CA . 51391 1 180 . 1 . 1 32 32 LEU CB C 13 43.4 0.1 . 1 . . . . . 32 L CB . 51391 1 181 . 1 . 1 32 32 LEU CG C 13 27.2 0.1 . 1 . . . . . 32 L CG . 51391 1 182 . 1 . 1 32 32 LEU CD1 C 13 25.6 0.1 . 2 . . . . . 32 L CD1 . 51391 1 183 . 1 . 1 32 32 LEU CD2 C 13 22.8 0.1 . 2 . . . . . 32 L CD2 . 51391 1 184 . 1 . 1 32 32 LEU N N 15 127.3 0.2 . 1 . . . . . 32 L N . 51391 1 185 . 1 . 1 33 33 CYS C C 13 171.9 0.1 . 1 . . . . . 33 C C . 51391 1 186 . 1 . 1 33 33 CYS CA C 13 55.2 0.1 . 1 . . . . . 33 C CA . 51391 1 187 . 1 . 1 33 33 CYS CB C 13 32.1 0.1 . 1 . . . . . 33 C CB . 51391 1 188 . 1 . 1 33 33 CYS N N 15 108.6 0.2 . 1 . . . . . 33 C N . 51391 1 189 . 1 . 1 34 34 TYR C C 13 175.7 0.1 . 1 . . . . . 34 Y C . 51391 1 190 . 1 . 1 34 34 TYR CA C 13 59.9 0.1 . 1 . . . . . 34 Y CA . 51391 1 191 . 1 . 1 34 34 TYR CB C 13 44.8 0.1 . 1 . . . . . 34 Y CB . 51391 1 192 . 1 . 1 34 34 TYR CD1 C 13 132.8 0.1 . 3 . . . . . 34 Y CD1 . 51391 1 193 . 1 . 1 34 34 TYR CD2 C 13 132.8 0.1 . 3 . . . . . 34 Y CD2 . 51391 1 194 . 1 . 1 34 34 TYR CE1 C 13 117.4 0.1 . 3 . . . . . 34 Y CE1 . 51391 1 195 . 1 . 1 34 34 TYR CE2 C 13 117.5 0.1 . 3 . . . . . 34 Y CE2 . 51391 1 196 . 1 . 1 34 34 TYR CZ C 13 157.6 0.1 . 1 . . . . . 34 Y CZ . 51391 1 197 . 1 . 1 34 34 TYR N N 15 115.9 0.2 . 1 . . . . . 34 Y N . 51391 1 198 . 1 . 1 35 35 VAL C C 13 174.3 0.1 . 1 . . . . . 35 V C . 51391 1 199 . 1 . 1 35 35 VAL CA C 13 60.9 0.1 . 1 . . . . . 35 V CA . 51391 1 200 . 1 . 1 35 35 VAL CB C 13 34.1 0.1 . 1 . . . . . 35 V CB . 51391 1 201 . 1 . 1 35 35 VAL CG1 C 13 21.0 0.1 . 2 . . . . . 35 V CG1 . 51391 1 202 . 1 . 1 35 35 VAL CG2 C 13 20.9 0.1 . 2 . . . . . 35 V CG2 . 51391 1 203 . 1 . 1 35 35 VAL N N 15 111.4 0.2 . 1 . . . . . 35 V N . 51391 1 204 . 1 . 1 36 36 ASP C C 13 174.6 0.1 . 1 . . . . . 36 D C . 51391 1 205 . 1 . 1 36 36 ASP CA C 13 53.4 0.1 . 1 . . . . . 36 D CA . 51391 1 206 . 1 . 1 36 36 ASP CB C 13 40.8 0.1 . 1 . . . . . 36 D CB . 51391 1 207 . 1 . 1 36 36 ASP CG C 13 180.5 0.1 . 1 . . . . . 36 D CG . 51391 1 208 . 1 . 1 36 36 ASP N N 15 126.2 0.2 . 1 . . . . . 36 D N . 51391 1 209 . 1 . 1 37 37 LEU C C 13 176.8 0.1 . 1 . . . . . 37 L C . 51391 1 210 . 1 . 1 37 37 LEU CA C 13 53.3 0.1 . 1 . . . . . 37 L CA . 51391 1 211 . 1 . 1 37 37 LEU CB C 13 40.6 0.1 . 1 . . . . . 37 L CB . 51391 1 212 . 1 . 1 37 37 LEU CG C 13 26.4 0.1 . 1 . . . . . 37 L CG . 51391 1 213 . 1 . 1 37 37 LEU CD1 C 13 25.2 0.1 . 2 . . . . . 37 L CD1 . 51391 1 214 . 1 . 1 37 37 LEU CD2 C 13 23.1 0.1 . 2 . . . . . 37 L CD2 . 51391 1 215 . 1 . 1 37 37 LEU N N 15 125.7 0.2 . 1 . . . . . 37 L N . 51391 1 216 . 1 . 1 38 38 GLY C C 13 175.8 0.1 . 1 . . . . . 38 G C . 51391 1 217 . 1 . 1 38 38 GLY CA C 13 45.2 0.1 . 1 . . . . . 38 G CA . 51391 1 218 . 1 . 1 38 38 GLY N N 15 106.7 0.2 . 1 . . . . . 38 G N . 51391 1 219 . 1 . 1 39 39 ASN C C 13 173.8 0.1 . 1 . . . . . 39 N C . 51391 1 220 . 1 . 1 39 39 ASN CA C 13 53.7 0.1 . 1 . . . . . 39 N CA . 51391 1 221 . 1 . 1 39 39 ASN CB C 13 39.8 0.1 . 1 . . . . . 39 N CB . 51391 1 222 . 1 . 1 39 39 ASN N N 15 110.5 0.2 . 1 . . . . . 39 N N . 51391 1 223 . 1 . 1 40 40 GLU C C 13 175.6 0.1 . 1 . . . . . 40 E C . 51391 1 224 . 1 . 1 40 40 GLU CA C 13 61.0 0.1 . 1 . . . . . 40 E CA . 51391 1 225 . 1 . 1 40 40 GLU CB C 13 29.0 0.1 . 1 . . . . . 40 E CB . 51391 1 226 . 1 . 1 40 40 GLU CG C 13 35.9 0.1 . 1 . . . . . 40 E CG . 51391 1 227 . 1 . 1 40 40 GLU CD C 13 183.4 0.1 . 1 . . . . . 40 E CD . 51391 1 228 . 1 . 1 40 40 GLU N N 15 119.7 0.2 . 1 . . . . . 40 E N . 51391 1 229 . 1 . 1 41 41 TYR C C 13 177.5 0.1 . 1 . . . . . 41 Y C . 51391 1 230 . 1 . 1 41 41 TYR CA C 13 55.7 0.1 . 1 . . . . . 41 Y CA . 51391 1 231 . 1 . 1 41 41 TYR CB C 13 41.5 0.1 . 1 . . . . . 41 Y CB . 51391 1 232 . 1 . 1 41 41 TYR CD1 C 13 133.1 0.1 . 3 . . . . . 41 Y CD1 . 51391 1 233 . 1 . 1 41 41 TYR CD2 C 13 133.1 0.1 . 3 . . . . . 41 Y CD2 . 51391 1 234 . 1 . 1 41 41 TYR CE1 C 13 117.5 0.1 . 3 . . . . . 41 Y CE1 . 51391 1 235 . 1 . 1 41 41 TYR CE2 C 13 117.5 0.1 . 3 . . . . . 41 Y CE2 . 51391 1 236 . 1 . 1 41 41 TYR CZ C 13 157.6 0.1 . 1 . . . . . 41 Y CZ . 51391 1 237 . 1 . 1 41 41 TYR N N 15 123.1 0.2 . 1 . . . . . 41 Y N . 51391 1 238 . 1 . 1 42 42 PRO C C 13 173.7 0.1 . 1 . . . . . 42 P C . 51391 1 239 . 1 . 1 42 42 PRO CA C 13 62.3 0.1 . 1 . . . . . 42 P CA . 51391 1 240 . 1 . 1 42 42 PRO CB C 13 33.0 0.1 . 1 . . . . . 42 P CB . 51391 1 241 . 1 . 1 42 42 PRO CG C 13 27.3 0.1 . 1 . . . . . 42 P CG . 51391 1 242 . 1 . 1 42 42 PRO CD C 13 49.5 0.1 . 1 . . . . . 42 P CD . 51391 1 243 . 1 . 1 42 42 PRO N N 15 135.6 0.2 . 1 . . . . . 42 P N . 51391 1 244 . 1 . 1 43 43 VAL C C 13 175.1 0.1 . 1 . . . . . 43 V C . 51391 1 245 . 1 . 1 43 43 VAL CA C 13 60.3 0.1 . 1 . . . . . 43 V CA . 51391 1 246 . 1 . 1 43 43 VAL CB C 13 34.5 0.1 . 1 . . . . . 43 V CB . 51391 1 247 . 1 . 1 43 43 VAL CG1 C 13 24.1 0.1 . 2 . . . . . 43 V CG1 . 51391 1 248 . 1 . 1 43 43 VAL CG2 C 13 21.8 0.1 . 2 . . . . . 43 V CG2 . 51391 1 249 . 1 . 1 43 43 VAL N N 15 114.3 0.2 . 1 . . . . . 43 V N . 51391 1 250 . 1 . 1 44 44 LEU C C 13 174.5 0.1 . 1 . . . . . 44 L C . 51391 1 251 . 1 . 1 44 44 LEU CA C 13 55.0 0.1 . 1 . . . . . 44 L CA . 51391 1 252 . 1 . 1 44 44 LEU CB C 13 41.7 0.1 . 1 . . . . . 44 L CB . 51391 1 253 . 1 . 1 44 44 LEU CG C 13 27.9 0.1 . 1 . . . . . 44 L CG . 51391 1 254 . 1 . 1 44 44 LEU CD1 C 13 26.5 0.1 . 2 . . . . . 44 L CD1 . 51391 1 255 . 1 . 1 44 44 LEU CD2 C 13 23.5 0.1 . 2 . . . . . 44 L CD2 . 51391 1 256 . 1 . 1 44 44 LEU N N 15 128.3 0.2 . 1 . . . . . 44 L N . 51391 1 257 . 1 . 1 45 45 VAL C C 13 172.8 0.1 . 1 . . . . . 45 V C . 51391 1 258 . 1 . 1 45 45 VAL CA C 13 60.7 0.1 . 1 . . . . . 45 V CA . 51391 1 259 . 1 . 1 45 45 VAL CB C 13 36.8 0.1 . 1 . . . . . 45 V CB . 51391 1 260 . 1 . 1 45 45 VAL CG1 C 13 23.9 0.1 . 2 . . . . . 45 V CG1 . 51391 1 261 . 1 . 1 45 45 VAL CG2 C 13 23.3 0.1 . 2 . . . . . 45 V CG2 . 51391 1 262 . 1 . 1 45 45 VAL N N 15 128.4 0.2 . 1 . . . . . 45 V N . 51391 1 263 . 1 . 1 46 46 LYS C C 13 176.0 0.1 . 1 . . . . . 46 K C . 51391 1 264 . 1 . 1 46 46 LYS CA C 13 54.9 0.1 . 1 . . . . . 46 K CA . 51391 1 265 . 1 . 1 46 46 LYS CB C 13 34.3 0.1 . 1 . . . . . 46 K CB . 51391 1 266 . 1 . 1 46 46 LYS CG C 13 23.3 0.1 . 1 . . . . . 46 K CG . 51391 1 267 . 1 . 1 46 46 LYS N N 15 123.1 0.2 . 1 . . . . . 46 K N . 51391 1 268 . 1 . 1 47 47 ILE C C 13 176.1 0.1 . 1 . . . . . 47 I C . 51391 1 269 . 1 . 1 47 47 ILE CA C 13 60.5 0.1 . 1 . . . . . 47 I CA . 51391 1 270 . 1 . 1 47 47 ILE CB C 13 40.7 0.1 . 1 . . . . . 47 I CB . 51391 1 271 . 1 . 1 47 47 ILE CG1 C 13 27.5 0.1 . 1 . . . . . 47 I CG1 . 51391 1 272 . 1 . 1 47 47 ILE CG2 C 13 18.4 0.1 . 1 . . . . . 47 I CG2 . 51391 1 273 . 1 . 1 47 47 ILE CD1 C 13 13.9 0.1 . 1 . . . . . 47 I CD1 . 51391 1 274 . 1 . 1 47 47 ILE N N 15 128.1 0.2 . 1 . . . . . 47 I N . 51391 1 275 . 1 . 1 48 48 THR C C 13 173.8 0.1 . 1 . . . . . 48 T C . 51391 1 276 . 1 . 1 48 48 THR CA C 13 62.3 0.1 . 1 . . . . . 48 T CA . 51391 1 277 . 1 . 1 48 48 THR CB C 13 70.7 0.1 . 1 . . . . . 48 T CB . 51391 1 278 . 1 . 1 48 48 THR CG2 C 13 22.0 0.1 . 1 . . . . . 48 T CG2 . 51391 1 279 . 1 . 1 48 48 THR N N 15 123.0 0.2 . 1 . . . . . 48 T N . 51391 1 280 . 1 . 1 49 49 LEU C C 13 177.3 0.1 . 1 . . . . . 49 L C . 51391 1 281 . 1 . 1 49 49 LEU CA C 13 57.9 0.1 . 1 . . . . . 49 L CA . 51391 1 282 . 1 . 1 49 49 LEU CB C 13 41.7 0.1 . 1 . . . . . 49 L CB . 51391 1 283 . 1 . 1 49 49 LEU CG C 13 26.9 0.1 . 1 . . . . . 49 L CG . 51391 1 284 . 1 . 1 49 49 LEU CD1 C 13 24.2 0.1 . 2 . . . . . 49 L CD1 . 51391 1 285 . 1 . 1 49 49 LEU CD2 C 13 24.2 0.1 . 2 . . . . . 49 L CD2 . 51391 1 286 . 1 . 1 49 49 LEU N N 15 129.9 0.2 . 1 . . . . . 49 L N . 51391 1 287 . 1 . 1 50 50 ASP C C 13 176.8 0.1 . 1 . . . . . 50 D C . 51391 1 288 . 1 . 1 50 50 ASP CA C 13 51.9 0.1 . 1 . . . . . 50 D CA . 51391 1 289 . 1 . 1 50 50 ASP CB C 13 39.8 0.1 . 1 . . . . . 50 D CB . 51391 1 290 . 1 . 1 50 50 ASP N N 15 116.9 0.2 . 1 . . . . . 50 D N . 51391 1 291 . 1 . 1 51 51 GLU C C 13 175.4 0.1 . 1 . . . . . 51 E C . 51391 1 292 . 1 . 1 51 51 GLU CA C 13 60.5 0.1 . 1 . . . . . 51 E CA . 51391 1 293 . 1 . 1 51 51 GLU CB C 13 28.6 0.1 . 1 . . . . . 51 E CB . 51391 1 294 . 1 . 1 51 51 GLU CG C 13 36.5 0.1 . 1 . . . . . 51 E CG . 51391 1 295 . 1 . 1 51 51 GLU CD C 13 182.8 0.1 . 1 . . . . . 51 E CD . 51391 1 296 . 1 . 1 51 51 GLU N N 15 113.5 0.2 . 1 . . . . . 51 E N . 51391 1 297 . 1 . 1 52 52 GLY C C 13 173.2 0.1 . 1 . . . . . 52 G C . 51391 1 298 . 1 . 1 52 52 GLY CA C 13 45.2 0.1 . 1 . . . . . 52 G CA . 51391 1 299 . 1 . 1 52 52 GLY N N 15 115.0 0.2 . 1 . . . . . 52 G N . 51391 1 300 . 1 . 1 53 53 GLN C C 13 173.3 0.1 . 1 . . . . . 53 Q C . 51391 1 301 . 1 . 1 53 53 GLN CA C 13 52.4 0.1 . 1 . . . . . 53 Q CA . 51391 1 302 . 1 . 1 53 53 GLN CB C 13 29.5 0.1 . 1 . . . . . 53 Q CB . 51391 1 303 . 1 . 1 53 53 GLN CG C 13 32.2 0.1 . 1 . . . . . 53 Q CG . 51391 1 304 . 1 . 1 53 53 GLN CD C 13 179.7 0.1 . 1 . . . . . 53 Q CD . 51391 1 305 . 1 . 1 53 53 GLN N N 15 122.1 0.2 . 1 . . . . . 53 Q N . 51391 1 306 . 1 . 1 53 53 GLN NE2 N 15 110.0 0.2 . 1 . . . . . 53 Q NE2 . 51391 1 307 . 1 . 1 54 54 PRO C C 13 175.1 0.1 . 1 . . . . . 54 P C . 51391 1 308 . 1 . 1 54 54 PRO CA C 13 61.5 0.1 . 1 . . . . . 54 P CA . 51391 1 309 . 1 . 1 54 54 PRO CB C 13 32.1 0.1 . 1 . . . . . 54 P CB . 51391 1 310 . 1 . 1 54 54 PRO CG C 13 26.5 0.1 . 1 . . . . . 54 P CG . 51391 1 311 . 1 . 1 54 54 PRO CD C 13 50.1 0.1 . 1 . . . . . 54 P CD . 51391 1 312 . 1 . 1 54 54 PRO N N 15 136.3 0.2 . 1 . . . . . 54 P N . 51391 1 313 . 1 . 1 55 55 ALA C C 13 179.0 0.1 . 1 . . . . . 55 A C . 51391 1 314 . 1 . 1 55 55 ALA CA C 13 52.2 0.1 . 1 . . . . . 55 A CA . 51391 1 315 . 1 . 1 55 55 ALA CB C 13 18.1 0.1 . 1 . . . . . 55 A CB . 51391 1 316 . 1 . 1 55 55 ALA N N 15 119.9 0.2 . 1 . . . . . 55 A N . 51391 1 317 . 1 . 1 56 56 TYR C C 13 176.7 0.1 . 1 . . . . . 56 Y C . 51391 1 318 . 1 . 1 56 56 TYR CA C 13 59.5 0.1 . 1 . . . . . 56 Y CA . 51391 1 319 . 1 . 1 56 56 TYR CB C 13 38.0 0.1 . 1 . . . . . 56 Y CB . 51391 1 320 . 1 . 1 56 56 TYR CG C 13 130.6 0.1 . 1 . . . . . 56 Y CG . 51391 1 321 . 1 . 1 56 56 TYR CD1 C 13 132.6 0.1 . 3 . . . . . 56 Y CD1 . 51391 1 322 . 1 . 1 56 56 TYR CD2 C 13 131.5 0.1 . 3 . . . . . 56 Y CD2 . 51391 1 323 . 1 . 1 56 56 TYR CZ C 13 156.4 0.1 . 1 . . . . . 56 Y CZ . 51391 1 324 . 1 . 1 56 56 TYR N N 15 123.0 0.2 . 1 . . . . . 56 Y N . 51391 1 325 . 1 . 1 57 57 ALA C C 13 176.1 0.1 . 1 . . . . . 57 A C . 51391 1 326 . 1 . 1 57 57 ALA CA C 13 50.0 0.1 . 1 . . . . . 57 A CA . 51391 1 327 . 1 . 1 57 57 ALA CB C 13 17.4 0.1 . 1 . . . . . 57 A CB . 51391 1 328 . 1 . 1 57 57 ALA N N 15 124.1 0.2 . 1 . . . . . 57 A N . 51391 1 329 . 1 . 1 58 58 PRO C C 13 175.9 0.1 . 1 . . . . . 58 P C . 51391 1 330 . 1 . 1 58 58 PRO CA C 13 63.3 0.1 . 1 . . . . . 58 P CA . 51391 1 331 . 1 . 1 58 58 PRO CB C 13 31.3 0.1 . 1 . . . . . 58 P CB . 51391 1 332 . 1 . 1 58 58 PRO CG C 13 28.7 0.1 . 1 . . . . . 58 P CG . 51391 1 333 . 1 . 1 58 58 PRO CD C 13 49.8 0.1 . 1 . . . . . 58 P CD . 51391 1 334 . 1 . 1 58 58 PRO N N 15 132.6 0.2 . 1 . . . . . 58 P N . 51391 1 335 . 1 . 1 59 59 GLY C C 13 170.5 0.1 . 1 . . . . . 59 G C . 51391 1 336 . 1 . 1 59 59 GLY CA C 13 44.4 0.1 . 1 . . . . . 59 G CA . 51391 1 337 . 1 . 1 59 59 GLY N N 15 110.7 0.2 . 1 . . . . . 59 G N . 51391 1 338 . 1 . 1 60 60 LEU C C 13 176.8 0.1 . 1 . . . . . 60 L C . 51391 1 339 . 1 . 1 60 60 LEU CA C 13 53.7 0.1 . 1 . . . . . 60 L CA . 51391 1 340 . 1 . 1 60 60 LEU CB C 13 42.7 0.1 . 1 . . . . . 60 L CB . 51391 1 341 . 1 . 1 60 60 LEU CG C 13 27.1 0.1 . 1 . . . . . 60 L CG . 51391 1 342 . 1 . 1 60 60 LEU CD1 C 13 24.8 0.1 . 2 . . . . . 60 L CD1 . 51391 1 343 . 1 . 1 60 60 LEU CD2 C 13 23.0 0.1 . 2 . . . . . 60 L CD2 . 51391 1 344 . 1 . 1 60 60 LEU N N 15 119.1 0.2 . 1 . . . . . 60 L N . 51391 1 345 . 1 . 1 61 61 TYR C C 13 175.4 0.1 . 1 . . . . . 61 Y C . 51391 1 346 . 1 . 1 61 61 TYR CA C 13 57.2 0.1 . 1 . . . . . 61 Y CA . 51391 1 347 . 1 . 1 61 61 TYR CB C 13 45.1 0.1 . 1 . . . . . 61 Y CB . 51391 1 348 . 1 . 1 61 61 TYR CD1 C 13 132.2 0.1 . 3 . . . . . 61 Y CD1 . 51391 1 349 . 1 . 1 61 61 TYR CD2 C 13 132.7 0.1 . 3 . . . . . 61 Y CD2 . 51391 1 350 . 1 . 1 61 61 TYR CE1 C 13 117.4 0.1 . 3 . . . . . 61 Y CE1 . 51391 1 351 . 1 . 1 61 61 TYR CE2 C 13 117.5 0.1 . 3 . . . . . 61 Y CE2 . 51391 1 352 . 1 . 1 61 61 TYR CZ C 13 157.6 0.1 . 1 . . . . . 61 Y CZ . 51391 1 353 . 1 . 1 61 61 TYR N N 15 121.9 0.2 . 1 . . . . . 61 Y N . 51391 1 354 . 1 . 1 62 62 THR C C 13 174.0 0.1 . 1 . . . . . 62 T C . 51391 1 355 . 1 . 1 62 62 THR CA C 13 59.9 0.1 . 1 . . . . . 62 T CA . 51391 1 356 . 1 . 1 62 62 THR CB C 13 71.1 0.1 . 1 . . . . . 62 T CB . 51391 1 357 . 1 . 1 62 62 THR CG2 C 13 22.0 0.1 . 1 . . . . . 62 T CG2 . 51391 1 358 . 1 . 1 62 62 THR N N 15 111.4 0.2 . 1 . . . . . 62 T N . 51391 1 359 . 1 . 1 63 63 VAL C C 13 175.8 0.1 . 1 . . . . . 63 V C . 51391 1 360 . 1 . 1 63 63 VAL CA C 13 63.1 0.1 . 1 . . . . . 63 V CA . 51391 1 361 . 1 . 1 63 63 VAL CB C 13 33.1 0.1 . 1 . . . . . 63 V CB . 51391 1 362 . 1 . 1 63 63 VAL CG1 C 13 23.4 0.1 . 2 . . . . . 63 V CG1 . 51391 1 363 . 1 . 1 63 63 VAL CG2 C 13 21.5 0.1 . 2 . . . . . 63 V CG2 . 51391 1 364 . 1 . 1 63 63 VAL N N 15 120.0 0.2 . 1 . . . . . 63 V N . 51391 1 365 . 1 . 1 64 64 HIS C C 13 177.6 0.1 . 1 . . . . . 64 H C . 51391 1 366 . 1 . 1 64 64 HIS CA C 13 57.9 0.1 . 1 . . . . . 64 H CA . 51391 1 367 . 1 . 1 64 64 HIS CB C 13 32.7 0.1 . 1 . . . . . 64 H CB . 51391 1 368 . 1 . 1 64 64 HIS CG C 13 136.6 0.1 . 1 . . . . . 64 H CG . 51391 1 369 . 1 . 1 64 64 HIS CD2 C 13 118.8 0.1 . 1 . . . . . 64 H CD2 . 51391 1 370 . 1 . 1 64 64 HIS CE1 C 13 138.8 0.1 . 1 . . . . . 64 H CE1 . 51391 1 371 . 1 . 1 64 64 HIS N N 15 129.7 0.2 . 1 . . . . . 64 H N . 51391 1 372 . 1 . 1 65 65 LEU C C 13 177.4 0.1 . 1 . . . . . 65 L C . 51391 1 373 . 1 . 1 65 65 LEU CA C 13 58.0 0.1 . 1 . . . . . 65 L CA . 51391 1 374 . 1 . 1 65 65 LEU CB C 13 43.2 0.1 . 1 . . . . . 65 L CB . 51391 1 375 . 1 . 1 65 65 LEU CG C 13 26.3 0.1 . 1 . . . . . 65 L CG . 51391 1 376 . 1 . 1 65 65 LEU CD1 C 13 24.0 0.1 . 2 . . . . . 65 L CD1 . 51391 1 377 . 1 . 1 65 65 LEU CD2 C 13 22.9 0.1 . 2 . . . . . 65 L CD2 . 51391 1 378 . 1 . 1 65 65 LEU N N 15 129.4 0.2 . 1 . . . . . 65 L N . 51391 1 379 . 1 . 1 66 66 SER C C 13 176.0 0.1 . 1 . . . . . 66 S C . 51391 1 380 . 1 . 1 66 66 SER CA C 13 60.5 0.1 . 1 . . . . . 66 S CA . 51391 1 381 . 1 . 1 66 66 SER CB C 13 62.5 0.1 . 1 . . . . . 66 S CB . 51391 1 382 . 1 . 1 66 66 SER N N 15 116.6 0.2 . 1 . . . . . 66 S N . 51391 1 383 . 1 . 1 67 67 SER C C 13 172.5 0.1 . 1 . . . . . 67 S C . 51391 1 384 . 1 . 1 67 67 SER CA C 13 60.6 0.1 . 1 . . . . . 67 S CA . 51391 1 385 . 1 . 1 67 67 SER CB C 13 63.7 0.1 . 1 . . . . . 67 S CB . 51391 1 386 . 1 . 1 67 67 SER N N 15 118.2 0.2 . 1 . . . . . 67 S N . 51391 1 387 . 1 . 1 68 68 PHE C C 13 174.1 0.1 . 1 . . . . . 68 F C . 51391 1 388 . 1 . 1 68 68 PHE CA C 13 56.8 0.1 . 1 . . . . . 68 F CA . 51391 1 389 . 1 . 1 68 68 PHE CB C 13 41.4 0.1 . 1 . . . . . 68 F CB . 51391 1 390 . 1 . 1 68 68 PHE CG C 13 139.7 0.1 . 1 . . . . . 68 F CG . 51391 1 391 . 1 . 1 68 68 PHE CD1 C 13 132.0 0.1 . 3 . . . . . 68 F CD1 . 51391 1 392 . 1 . 1 68 68 PHE CD2 C 13 132.2 0.1 . 3 . . . . . 68 F CD2 . 51391 1 393 . 1 . 1 68 68 PHE CE1 C 13 131.6 0.1 . 3 . . . . . 68 F CE1 . 51391 1 394 . 1 . 1 68 68 PHE CE2 C 13 131.6 0.1 . 3 . . . . . 68 F CE2 . 51391 1 395 . 1 . 1 68 68 PHE CZ C 13 128.5 0.1 . 1 . . . . . 68 F CZ . 51391 1 396 . 1 . 1 68 68 PHE N N 15 116.4 0.2 . 1 . . . . . 68 F N . 51391 1 397 . 1 . 1 69 69 LYS C C 13 173.2 0.1 . 1 . . . . . 69 K C . 51391 1 398 . 1 . 1 69 69 LYS CA C 13 54.1 0.1 . 1 . . . . . 69 K CA . 51391 1 399 . 1 . 1 69 69 LYS CB C 13 36.1 0.1 . 1 . . . . . 69 K CB . 51391 1 400 . 1 . 1 69 69 LYS CG C 13 24.2 0.1 . 1 . . . . . 69 K CG . 51391 1 401 . 1 . 1 69 69 LYS CD C 13 29.2 0.1 . 1 . . . . . 69 K CD . 51391 1 402 . 1 . 1 69 69 LYS CE C 13 42.0 0.1 . 1 . . . . . 69 K CE . 51391 1 403 . 1 . 1 69 69 LYS N N 15 116.7 0.2 . 1 . . . . . 69 K N . 51391 1 404 . 1 . 1 70 70 VAL C C 13 177.5 0.1 . 1 . . . . . 70 V C . 51391 1 405 . 1 . 1 70 70 VAL CA C 13 62.5 0.1 . 1 . . . . . 70 V CA . 51391 1 406 . 1 . 1 70 70 VAL CB C 13 31.5 0.1 . 1 . . . . . 70 V CB . 51391 1 407 . 1 . 1 70 70 VAL CG1 C 13 22.7 0.1 . 2 . . . . . 70 V CG1 . 51391 1 408 . 1 . 1 70 70 VAL CG2 C 13 21.2 0.1 . 2 . . . . . 70 V CG2 . 51391 1 409 . 1 . 1 70 70 VAL N N 15 121.4 0.2 . 1 . . . . . 70 V N . 51391 1 410 . 1 . 1 71 71 GLY C C 13 175.6 0.1 . 1 . . . . . 71 G C . 51391 1 411 . 1 . 1 71 71 GLY CA C 13 44.8 0.1 . 1 . . . . . 71 G CA . 51391 1 412 . 1 . 1 71 71 GLY N N 15 114.2 0.2 . 1 . . . . . 71 G N . 51391 1 413 . 1 . 1 72 72 GLN C C 13 175.9 0.1 . 1 . . . . . 72 Q C . 51391 1 414 . 1 . 1 72 72 GLN CA C 13 58.0 0.1 . 1 . . . . . 72 Q CA . 51391 1 415 . 1 . 1 72 72 GLN CB C 13 28.3 0.1 . 1 . . . . . 72 Q CB . 51391 1 416 . 1 . 1 72 72 GLN CG C 13 31.5 0.1 . 1 . . . . . 72 Q CG . 51391 1 417 . 1 . 1 72 72 GLN CD C 13 179.6 0.1 . 1 . . . . . 72 Q CD . 51391 1 418 . 1 . 1 72 72 GLN N N 15 118.7 0.2 . 1 . . . . . 72 Q N . 51391 1 419 . 1 . 1 72 72 GLN NE2 N 15 109.9 0.2 . 1 . . . . . 72 Q NE2 . 51391 1 420 . 1 . 1 73 73 PHE C C 13 176.4 0.1 . 1 . . . . . 73 F C . 51391 1 421 . 1 . 1 73 73 PHE CA C 13 59.7 0.1 . 1 . . . . . 73 F CA . 51391 1 422 . 1 . 1 73 73 PHE CB C 13 37.9 0.1 . 1 . . . . . 73 F CB . 51391 1 423 . 1 . 1 73 73 PHE CD1 C 13 132.4 0.1 . 3 . . . . . 73 F CD1 . 51391 1 424 . 1 . 1 73 73 PHE CD2 C 13 134.6 0.1 . 3 . . . . . 73 F CD2 . 51391 1 425 . 1 . 1 73 73 PHE N N 15 111.8 0.2 . 1 . . . . . 73 F N . 51391 1 426 . 1 . 1 74 74 GLY C C 13 174.0 0.1 . 1 . . . . . 74 G C . 51391 1 427 . 1 . 1 74 74 GLY CA C 13 45.4 0.1 . 1 . . . . . 74 G CA . 51391 1 428 . 1 . 1 74 74 GLY N N 15 105.6 0.2 . 1 . . . . . 74 G N . 51391 1 429 . 1 . 1 75 75 SER C C 13 173.2 0.1 . 1 . . . . . 75 S C . 51391 1 430 . 1 . 1 75 75 SER CA C 13 57.4 0.1 . 1 . . . . . 75 S CA . 51391 1 431 . 1 . 1 75 75 SER CB C 13 64.1 0.1 . 1 . . . . . 75 S CB . 51391 1 432 . 1 . 1 75 75 SER N N 15 115.4 0.2 . 1 . . . . . 75 S N . 51391 1 433 . 1 . 1 76 76 LEU C C 13 174.9 0.1 . 1 . . . . . 76 L C . 51391 1 434 . 1 . 1 76 76 LEU CA C 13 55.1 0.1 . 1 . . . . . 76 L CA . 51391 1 435 . 1 . 1 76 76 LEU CB C 13 42.8 0.1 . 1 . . . . . 76 L CB . 51391 1 436 . 1 . 1 76 76 LEU CG C 13 27.2 0.1 . 1 . . . . . 76 L CG . 51391 1 437 . 1 . 1 76 76 LEU CD1 C 13 26.0 0.1 . 2 . . . . . 76 L CD1 . 51391 1 438 . 1 . 1 76 76 LEU CD2 C 13 24.1 0.1 . 2 . . . . . 76 L CD2 . 51391 1 439 . 1 . 1 76 76 LEU N N 15 126.5 0.2 . 1 . . . . . 76 L N . 51391 1 440 . 1 . 1 77 77 MET C C 13 174.7 0.1 . 1 . . . . . 77 M C . 51391 1 441 . 1 . 1 77 77 MET CA C 13 55.3 0.1 . 1 . . . . . 77 M CA . 51391 1 442 . 1 . 1 77 77 MET CB C 13 36.8 0.1 . 1 . . . . . 77 M CB . 51391 1 443 . 1 . 1 77 77 MET CG C 13 30.9 0.1 . 1 . . . . . 77 M CG . 51391 1 444 . 1 . 1 77 77 MET CE C 13 17.2 0.1 . 1 . . . . . 77 M CE . 51391 1 445 . 1 . 1 77 77 MET N N 15 122.2 0.2 . 1 . . . . . 77 M N . 51391 1 446 . 1 . 1 78 78 ILE C C 13 175.7 0.1 . 1 . . . . . 78 I C . 51391 1 447 . 1 . 1 78 78 ILE CA C 13 61.1 0.1 . 1 . . . . . 78 I CA . 51391 1 448 . 1 . 1 78 78 ILE CB C 13 38.0 0.1 . 1 . . . . . 78 I CB . 51391 1 449 . 1 . 1 78 78 ILE CG1 C 13 29.1 0.1 . 1 . . . . . 78 I CG1 . 51391 1 450 . 1 . 1 78 78 ILE CG2 C 13 16.5 0.1 . 1 . . . . . 78 I CG2 . 51391 1 451 . 1 . 1 78 78 ILE CD1 C 13 12.5 0.1 . 1 . . . . . 78 I CD1 . 51391 1 452 . 1 . 1 78 78 ILE N N 15 119.5 0.2 . 1 . . . . . 78 I N . 51391 1 453 . 1 . 1 79 79 ASP C C 13 174.3 0.1 . 1 . . . . . 79 D C . 51391 1 454 . 1 . 1 79 79 ASP CA C 13 54.9 0.1 . 1 . . . . . 79 D CA . 51391 1 455 . 1 . 1 79 79 ASP CB C 13 41.8 0.1 . 1 . . . . . 79 D CB . 51391 1 456 . 1 . 1 79 79 ASP CG C 13 178.2 0.1 . 1 . . . . . 79 D CG . 51391 1 457 . 1 . 1 79 79 ASP N N 15 128.5 0.2 . 1 . . . . . 79 D N . 51391 1 458 . 1 . 1 80 80 ARG C C 13 174.0 0.1 . 1 . . . . . 80 R C . 51391 1 459 . 1 . 1 80 80 ARG CA C 13 54.0 0.1 . 1 . . . . . 80 R CA . 51391 1 460 . 1 . 1 80 80 ARG CB C 13 33.2 0.1 . 1 . . . . . 80 R CB . 51391 1 461 . 1 . 1 80 80 ARG N N 15 115.1 0.2 . 1 . . . . . 80 R N . 51391 1 462 . 1 . 1 81 81 LEU C C 13 177.2 0.1 . 1 . . . . . 81 L C . 51391 1 463 . 1 . 1 81 81 LEU CA C 13 52.8 0.1 . 1 . . . . . 81 L CA . 51391 1 464 . 1 . 1 81 81 LEU CB C 13 43.4 0.1 . 1 . . . . . 81 L CB . 51391 1 465 . 1 . 1 81 81 LEU CG C 13 26.2 0.1 . 1 . . . . . 81 L CG . 51391 1 466 . 1 . 1 81 81 LEU CD1 C 13 24.1 0.1 . 2 . . . . . 81 L CD1 . 51391 1 467 . 1 . 1 81 81 LEU CD2 C 13 23.0 0.1 . 2 . . . . . 81 L CD2 . 51391 1 468 . 1 . 1 81 81 LEU N N 15 121.1 0.2 . 1 . . . . . 81 L N . 51391 1 469 . 1 . 1 82 82 ARG C C 13 176.7 0.1 . 1 . . . . . 82 R C . 51391 1 470 . 1 . 1 82 82 ARG CA C 13 54.1 0.1 . 1 . . . . . 82 R CA . 51391 1 471 . 1 . 1 82 82 ARG CB C 13 31.1 0.1 . 1 . . . . . 82 R CB . 51391 1 472 . 1 . 1 82 82 ARG CG C 13 25.2 0.1 . 1 . . . . . 82 R CG . 51391 1 473 . 1 . 1 82 82 ARG CZ C 13 166.6 0.1 . 1 . . . . . 82 R CZ . 51391 1 474 . 1 . 1 82 82 ARG N N 15 116.4 0.2 . 1 . . . . . 82 R N . 51391 1 475 . 1 . 1 83 83 LEU C C 13 177.3 0.1 . 1 . . . . . 83 L C . 51391 1 476 . 1 . 1 83 83 LEU CA C 13 53.8 0.1 . 1 . . . . . 83 L CA . 51391 1 477 . 1 . 1 83 83 LEU CB C 13 42.3 0.1 . 1 . . . . . 83 L CB . 51391 1 478 . 1 . 1 83 83 LEU CG C 13 28.5 0.1 . 1 . . . . . 83 L CG . 51391 1 479 . 1 . 1 83 83 LEU CD1 C 13 24.6 0.1 . 2 . . . . . 83 L CD1 . 51391 1 480 . 1 . 1 83 83 LEU CD2 C 13 24.6 0.1 . 2 . . . . . 83 L CD2 . 51391 1 481 . 1 . 1 83 83 LEU N N 15 128.1 0.2 . 1 . . . . . 83 L N . 51391 1 482 . 1 . 1 84 84 VAL C C 13 174.2 0.1 . 1 . . . . . 84 V C . 51391 1 483 . 1 . 1 84 84 VAL CA C 13 60.5 0.1 . 1 . . . . . 84 V CA . 51391 1 484 . 1 . 1 84 84 VAL CB C 13 34.2 0.1 . 1 . . . . . 84 V CB . 51391 1 485 . 1 . 1 84 84 VAL CG1 C 13 23.0 0.1 . 2 . . . . . 84 V CG1 . 51391 1 486 . 1 . 1 84 84 VAL CG2 C 13 21.7 0.1 . 2 . . . . . 84 V CG2 . 51391 1 487 . 1 . 1 84 84 VAL N N 15 123.3 0.2 . 1 . . . . . 84 V N . 51391 1 488 . 1 . 1 85 85 PRO C C 13 176.8 0.1 . 1 . . . . . 85 P C . 51391 1 489 . 1 . 1 85 85 PRO CA C 13 63.4 0.1 . 1 . . . . . 85 P CA . 51391 1 490 . 1 . 1 85 85 PRO CB C 13 32.1 0.1 . 1 . . . . . 85 P CB . 51391 1 491 . 1 . 1 85 85 PRO CG C 13 28.0 0.1 . 1 . . . . . 85 P CG . 51391 1 492 . 1 . 1 85 85 PRO CD C 13 51.0 0.1 . 1 . . . . . 85 P CD . 51391 1 493 . 1 . 1 85 85 PRO N N 15 137.2 0.2 . 1 . . . . . 85 P N . 51391 1 494 . 1 . 1 86 86 ALA C C 13 176.8 0.1 . 1 . . . . . 86 A C . 51391 1 495 . 1 . 1 86 86 ALA CA C 13 52.1 0.1 . 1 . . . . . 86 A CA . 51391 1 496 . 1 . 1 86 86 ALA CB C 13 19.1 0.1 . 1 . . . . . 86 A CB . 51391 1 497 . 1 . 1 86 86 ALA N N 15 126.5 0.2 . 1 . . . . . 86 A N . 51391 1 stop_ save_