data_51284 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51284 _Entry.Title ; Solid state NMR chemical shift assignment of the non-structural single-stranded DNA binding protein gVp from fd bacteriophage ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-19 _Entry.Accession_date 2022-01-19 _Entry.Last_release_date 2022-01-19 _Entry.Original_release_date 2022-01-19 _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 'Roni Rene' Hassid . . . . 51284 2 Smadar Kedem . . . . 51284 3 Meital Bachar-Beck . . . . 51284 4 Yoav Shamir . . . . 51284 5 Amir Goldbourt . . . 0000-0002-7307-3417 51284 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51284 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 51284 '15N chemical shifts' 93 51284 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-09-28 2022-01-19 update BMRB 'update entry citation' 51284 1 . . 2022-04-04 2022-01-19 original author 'original release' 51284 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51284 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35460051 _Citation.DOI 10.1007/s12104-022-10076-5 _Citation.Full_citation . _Citation.Title ; Solid state NMR chemical shift assignment of the non-structural single-stranded DNA binding protein gVp from fd bacteriophage ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 181 _Citation.Page_last 185 _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 'Roni Rene' Hassid . . . . 51284 1 2 Smadar Kedem . . . . 51284 1 3 Meital Bachar-Beck . . . . 51284 1 4 Yoav Shamir . . . . 51284 1 5 Amir Goldbourt . . . . 51284 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51284 _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 . . . 51284 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51284 _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 . 51284 1 2 . ILE . 51284 1 3 . LYS . 51284 1 4 . VAL . 51284 1 5 . GLU . 51284 1 6 . ILE . 51284 1 7 . LYS . 51284 1 8 . PRO . 51284 1 9 . SER . 51284 1 10 . GLN . 51284 1 11 . ALA . 51284 1 12 . GLN . 51284 1 13 . PHE . 51284 1 14 . THR . 51284 1 15 . THR . 51284 1 16 . ARG . 51284 1 17 . SER . 51284 1 18 . GLY . 51284 1 19 . VAL . 51284 1 20 . SER . 51284 1 21 . ARG . 51284 1 22 . GLN . 51284 1 23 . GLY . 51284 1 24 . LYS . 51284 1 25 . PRO . 51284 1 26 . TYR . 51284 1 27 . SER . 51284 1 28 . LEU . 51284 1 29 . ASN . 51284 1 30 . GLU . 51284 1 31 . GLN . 51284 1 32 . LEU . 51284 1 33 . CYS . 51284 1 34 . TYR . 51284 1 35 . VAL . 51284 1 36 . ASP . 51284 1 37 . LEU . 51284 1 38 . GLY . 51284 1 39 . ASN . 51284 1 40 . GLU . 51284 1 41 . TYR . 51284 1 42 . PRO . 51284 1 43 . VAL . 51284 1 44 . LEU . 51284 1 45 . VAL . 51284 1 46 . LYS . 51284 1 47 . ILE . 51284 1 48 . THR . 51284 1 49 . LEU . 51284 1 50 . ASP . 51284 1 51 . GLU . 51284 1 52 . GLY . 51284 1 53 . GLN . 51284 1 54 . PRO . 51284 1 55 . ALA . 51284 1 56 . TYR . 51284 1 57 . ALA . 51284 1 58 . PRO . 51284 1 59 . GLY . 51284 1 60 . LEU . 51284 1 61 . TYR . 51284 1 62 . THR . 51284 1 63 . VAL . 51284 1 64 . HIS . 51284 1 65 . LEU . 51284 1 66 . SER . 51284 1 67 . SER . 51284 1 68 . PHE . 51284 1 69 . LYS . 51284 1 70 . VAL . 51284 1 71 . GLY . 51284 1 72 . GLN . 51284 1 73 . PHE . 51284 1 74 . GLY . 51284 1 75 . SER . 51284 1 76 . LEU . 51284 1 77 . MET . 51284 1 78 . ILE . 51284 1 79 . ASP . 51284 1 80 . ARG . 51284 1 81 . LEU . 51284 1 82 . ARG . 51284 1 83 . LEU . 51284 1 84 . VAL . 51284 1 85 . PRO . 51284 1 86 . ALA . 51284 1 87 . LYS . 51284 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 51284 1 . ILE 2 2 51284 1 . LYS 3 3 51284 1 . VAL 4 4 51284 1 . GLU 5 5 51284 1 . ILE 6 6 51284 1 . LYS 7 7 51284 1 . PRO 8 8 51284 1 . SER 9 9 51284 1 . GLN 10 10 51284 1 . ALA 11 11 51284 1 . GLN 12 12 51284 1 . PHE 13 13 51284 1 . THR 14 14 51284 1 . THR 15 15 51284 1 . ARG 16 16 51284 1 . SER 17 17 51284 1 . GLY 18 18 51284 1 . VAL 19 19 51284 1 . SER 20 20 51284 1 . ARG 21 21 51284 1 . GLN 22 22 51284 1 . GLY 23 23 51284 1 . LYS 24 24 51284 1 . PRO 25 25 51284 1 . TYR 26 26 51284 1 . SER 27 27 51284 1 . LEU 28 28 51284 1 . ASN 29 29 51284 1 . GLU 30 30 51284 1 . GLN 31 31 51284 1 . LEU 32 32 51284 1 . CYS 33 33 51284 1 . TYR 34 34 51284 1 . VAL 35 35 51284 1 . ASP 36 36 51284 1 . LEU 37 37 51284 1 . GLY 38 38 51284 1 . ASN 39 39 51284 1 . GLU 40 40 51284 1 . TYR 41 41 51284 1 . PRO 42 42 51284 1 . VAL 43 43 51284 1 . LEU 44 44 51284 1 . VAL 45 45 51284 1 . LYS 46 46 51284 1 . ILE 47 47 51284 1 . THR 48 48 51284 1 . LEU 49 49 51284 1 . ASP 50 50 51284 1 . GLU 51 51 51284 1 . GLY 52 52 51284 1 . GLN 53 53 51284 1 . PRO 54 54 51284 1 . ALA 55 55 51284 1 . TYR 56 56 51284 1 . ALA 57 57 51284 1 . PRO 58 58 51284 1 . GLY 59 59 51284 1 . LEU 60 60 51284 1 . TYR 61 61 51284 1 . THR 62 62 51284 1 . VAL 63 63 51284 1 . HIS 64 64 51284 1 . LEU 65 65 51284 1 . SER 66 66 51284 1 . SER 67 67 51284 1 . PHE 68 68 51284 1 . LYS 69 69 51284 1 . VAL 70 70 51284 1 . GLY 71 71 51284 1 . GLN 72 72 51284 1 . PHE 73 73 51284 1 . GLY 74 74 51284 1 . SER 75 75 51284 1 . LEU 76 76 51284 1 . MET 77 77 51284 1 . ILE 78 78 51284 1 . ASP 79 79 51284 1 . ARG 80 80 51284 1 . LEU 81 81 51284 1 . ARG 82 82 51284 1 . LEU 83 83 51284 1 . VAL 84 84 51284 1 . PRO 85 85 51284 1 . ALA 86 86 51284 1 . LYS 87 87 51284 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 51284 _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 . . . . . . . . . . . . 51284 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 51284 _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 . . . 51284 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51284 _Sample.ID 1 _Sample.Name 'U-13C/15N gVp' _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 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . g/L 50 . . . 51284 1 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 51284 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51284 1 4 Tris-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 51284 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 51284 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_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 'temperature controller setting' 263 . K 51284 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51284 _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 . 51284 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 51284 _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 51284 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'tmix: 5[ms]' 51284 1 2 '2D DARR25' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'tmix: 25[ms]' 51284 1 3 '2D DARR100' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'tmix: 100[ms]' 51284 1 4 '3D NCACX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51284 1 5 '3D NCOCX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51284 1 6 '2D NCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '13C detected' 51284 1 7 '2D NCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '13C detected' 51284 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51284 _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 51284 _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 . . . . . 51284 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 39.27 external indirect 1 . . . . . 51284 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 51284 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Solid state NMR chemical shift assignment of the non-structural single- stranded DNA binding protein gVp from fd bacteriophage' _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 . _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 DARR5' . . . 51284 1 2 '2D DARR25' . . . 51284 1 3 '2D DARR100' . . . 51284 1 4 '3D NCACX' . . . 51284 1 5 '3D NCOCX' . . . 51284 1 6 '2D NCA' . . . 51284 1 7 '2D NCO' . . . 51284 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 . . 51284 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 2 2 ILE CA C 13 61.737 0.1 . 1 . . . . . 2 I CA . 51284 1 2 . 1 . 1 2 2 ILE CB C 13 40.035 0.1 . 1 . . . . . 2 I CB . 51284 1 3 . 1 . 1 2 2 ILE CG1 C 13 28.209 0.1 . 1 . . . . . 2 I CG1 . 51284 1 4 . 1 . 1 2 2 ILE CG2 C 13 18.451 0.1 . 1 . . . . . 2 I CG2 . 51284 1 5 . 1 . 1 2 2 ILE CD1 C 13 13.378 0.1 . 1 . . . . . 2 I CD1 . 51284 1 6 . 1 . 1 3 3 LYS C C 13 174.302 0.1 . 1 . . . . . 3 K CO . 51284 1 7 . 1 . 1 3 3 LYS CA C 13 56.653 0.1 . 1 . . . . . 3 K CA . 51284 1 8 . 1 . 1 3 3 LYS CG C 13 24.906 0.1 . 1 . . . . . 3 K CG . 51284 1 9 . 1 . 1 3 3 LYS CD C 13 29.623 0.1 . 1 . . . . . 3 K CD . 51284 1 10 . 1 . 1 3 3 LYS CE C 13 43.915 0.1 . 1 . . . . . 3 K CE . 51284 1 11 . 1 . 1 3 3 LYS N N 15 130.593 0.2 . 1 . . . . . 3 K N . 51284 1 12 . 1 . 1 4 4 VAL C C 13 174.006 0.1 . 1 . . . . . 4 V CO . 51284 1 13 . 1 . 1 4 4 VAL CA C 13 60.585 0.1 . 1 . . . . . 4 V CA . 51284 1 14 . 1 . 1 4 4 VAL CB C 13 34.594 0.1 . 1 . . . . . 4 V CB . 51284 1 15 . 1 . 1 4 4 VAL CG1 C 13 22.360 0.1 . 1 . . . . . 4 V CG1 . 51284 1 16 . 1 . 1 4 4 VAL CG2 C 13 21.584 0.1 . 1 . . . . . 4 V CG2 . 51284 1 17 . 1 . 1 4 4 VAL N N 15 129.271 0.2 . 1 . . . . . 4 V N . 51284 1 18 . 1 . 1 5 5 GLU C C 13 175.151 0.1 . 1 . . . . . 5 E CO . 51284 1 19 . 1 . 1 5 5 GLU CA C 13 54.496 0.1 . 1 . . . . . 5 E CA . 51284 1 20 . 1 . 1 5 5 GLU CB C 13 34.406 0.1 . 1 . . . . . 5 E CB . 51284 1 21 . 1 . 1 5 5 GLU CG C 13 36.802 0.1 . 1 . . . . . 5 E CG . 51284 1 22 . 1 . 1 5 5 GLU CD C 13 182.790 0.1 . 1 . . . . . 5 E CD . 51284 1 23 . 1 . 1 5 5 GLU N N 15 127.972 0.2 . 1 . . . . . 5 E N . 51284 1 24 . 1 . 1 6 6 ILE C C 13 178.923 0.1 . 1 . . . . . 6 I CO . 51284 1 25 . 1 . 1 6 6 ILE CA C 13 58.881 0.1 . 1 . . . . . 6 I CA . 51284 1 26 . 1 . 1 6 6 ILE CB C 13 37.880 0.1 . 1 . . . . . 6 I CB . 51284 1 27 . 1 . 1 6 6 ILE CG1 C 13 27.836 0.1 . 1 . . . . . 6 I CG1 . 51284 1 28 . 1 . 1 6 6 ILE CG2 C 13 16.798 0.1 . 1 . . . . . 6 I CG2 . 51284 1 29 . 1 . 1 6 6 ILE CD1 C 13 11.737 0.1 . 1 . . . . . 6 I CD1 . 51284 1 30 . 1 . 1 6 6 ILE N N 15 127.219 0.2 . 1 . . . . . 6 I N . 51284 1 31 . 1 . 1 7 7 LYS C C 13 176.395 0.1 . 1 . . . . . 7 K CO . 51284 1 32 . 1 . 1 7 7 LYS CA C 13 54.036 0.1 . 1 . . . . . 7 K CA . 51284 1 33 . 1 . 1 7 7 LYS CB C 13 31.386 0.1 . 1 . . . . . 7 K CB . 51284 1 34 . 1 . 1 7 7 LYS CG C 13 26.575 0.1 . 1 . . . . . 7 K CG . 51284 1 35 . 1 . 1 7 7 LYS CD C 13 28.904 0.1 . 1 . . . . . 7 K CD . 51284 1 36 . 1 . 1 7 7 LYS CE C 13 42.563 0.1 . 1 . . . . . 7 K CE . 51284 1 37 . 1 . 1 7 7 LYS N N 15 129.460 0.2 . 1 . . . . . 7 K N . 51284 1 38 . 1 . 1 7 7 LYS NZ N 15 34.189 0.2 . 1 . . . . . 7 K NZ . 51284 1 39 . 1 . 1 8 8 PRO C C 13 178.730 0.1 . 1 . . . . . 8 P CO . 51284 1 40 . 1 . 1 8 8 PRO CA C 13 66.756 0.1 . 1 . . . . . 8 P CA . 51284 1 41 . 1 . 1 8 8 PRO CB C 13 32.227 0.1 . 1 . . . . . 8 P CB . 51284 1 42 . 1 . 1 8 8 PRO CG C 13 29.023 0.1 . 1 . . . . . 8 P CG . 51284 1 43 . 1 . 1 8 8 PRO CD C 13 50.556 0.1 . 1 . . . . . 8 P CD . 51284 1 44 . 1 . 1 8 8 PRO N N 15 135.261 0.2 . 1 . . . . . 8 P N . 51284 1 45 . 1 . 1 9 9 SER C C 13 176.028 0.1 . 1 . . . . . 9 S CO . 51284 1 46 . 1 . 1 9 9 SER CA C 13 59.607 0.1 . 1 . . . . . 9 S CA . 51284 1 47 . 1 . 1 9 9 SER CB C 13 62.562 0.1 . 1 . . . . . 9 S CB . 51284 1 48 . 1 . 1 9 9 SER N N 15 109.389 0.2 . 1 . . . . . 9 S N . 51284 1 49 . 1 . 1 10 10 GLN C C 13 176.541 0.1 . 1 . . . . . 10 Q CO . 51284 1 50 . 1 . 1 10 10 GLN CA C 13 55.602 0.1 . 1 . . . . . 10 Q CA . 51284 1 51 . 1 . 1 10 10 GLN CB C 13 29.715 0.1 . 1 . . . . . 10 Q CB . 51284 1 52 . 1 . 1 10 10 GLN CG C 13 34.864 0.1 . 1 . . . . . 10 Q CG . 51284 1 53 . 1 . 1 10 10 GLN CD C 13 179.195 0.1 . 1 . . . . . 10 Q CD . 51284 1 54 . 1 . 1 10 10 GLN N N 15 122.689 0.2 . 1 . . . . . 10 Q N . 51284 1 55 . 1 . 1 10 10 GLN NE2 N 15 110.549 0.2 . 1 . . . . . 10 Q NE2 . 51284 1 56 . 1 . 1 11 11 ALA C C 13 175.741 0.1 . 1 . . . . . 11 A CO . 51284 1 57 . 1 . 1 11 11 ALA CA C 13 53.111 0.1 . 1 . . . . . 11 A CA . 51284 1 58 . 1 . 1 11 11 ALA CB C 13 19.173 0.1 . 1 . . . . . 11 A CB . 51284 1 59 . 1 . 1 11 11 ALA N N 15 124.580 0.2 . 1 . . . . . 11 A N . 51284 1 60 . 1 . 1 12 12 GLN C C 13 174.019 0.1 . 1 . . . . . 12 Q CO . 51284 1 61 . 1 . 1 12 12 GLN CA C 13 54.799 0.1 . 1 . . . . . 12 Q CA . 51284 1 62 . 1 . 1 12 12 GLN CB C 13 31.364 0.1 . 1 . . . . . 12 Q CB . 51284 1 63 . 1 . 1 12 12 GLN CG C 13 36.103 0.1 . 1 . . . . . 12 Q CG . 51284 1 64 . 1 . 1 12 12 GLN CD C 13 178.929 0.1 . 1 . . . . . 12 Q CD . 51284 1 65 . 1 . 1 12 12 GLN N N 15 116.466 0.2 . 1 . . . . . 12 Q N . 51284 1 66 . 1 . 1 13 13 PHE C C 13 175.411 0.1 . 1 . . . . . 13 F CO . 51284 1 67 . 1 . 1 13 13 PHE CA C 13 55.241 0.1 . 1 . . . . . 13 F CA . 51284 1 68 . 1 . 1 13 13 PHE CB C 13 42.069 0.1 . 1 . . . . . 13 F CB . 51284 1 69 . 1 . 1 13 13 PHE CG C 13 137.255 0.1 . 1 . . . . . 13 F CG . 51284 1 70 . 1 . 1 13 13 PHE CD1 C 13 132.260 0.1 . 3 . . . . . 13 F CD1 . 51284 1 71 . 1 . 1 13 13 PHE CD2 C 13 132.259 0.1 . 3 . . . . . 13 F CD2 . 51284 1 72 . 1 . 1 13 13 PHE CE1 C 13 131.355 0.1 . 3 . . . . . 13 F CE1 . 51284 1 73 . 1 . 1 13 13 PHE CE2 C 13 131.352 0.1 . 3 . . . . . 13 F CE2 . 51284 1 74 . 1 . 1 13 13 PHE N N 15 116.684 0.2 . 1 . . . . . 13 F N . 51284 1 75 . 1 . 1 14 14 THR C C 13 174.159 0.1 . 1 . . . . . 14 T CO . 51284 1 76 . 1 . 1 14 14 THR CA C 13 60.808 0.1 . 1 . . . . . 14 T CA . 51284 1 77 . 1 . 1 14 14 THR CB C 13 71.673 0.1 . 1 . . . . . 14 T CB . 51284 1 78 . 1 . 1 14 14 THR CG2 C 13 22.545 0.1 . 1 . . . . . 14 T CG2 . 51284 1 79 . 1 . 1 14 14 THR N N 15 109.248 0.2 . 1 . . . . . 14 T N . 51284 1 80 . 1 . 1 15 15 THR C C 13 174.391 0.1 . 1 . . . . . 15 T CO . 51284 1 81 . 1 . 1 15 15 THR CA C 13 62.144 0.1 . 1 . . . . . 15 T CA . 51284 1 82 . 1 . 1 15 15 THR CB C 13 72.711 0.1 . 1 . . . . . 15 T CB . 51284 1 83 . 1 . 1 15 15 THR CG2 C 13 22.703 0.1 . 1 . . . . . 15 T CG2 . 51284 1 84 . 1 . 1 15 15 THR N N 15 119.327 0.2 . 1 . . . . . 15 T N . 51284 1 85 . 1 . 1 16 16 ARG N N 15 126.998 0.2 . 1 . . . . . 16 R N . 51284 1 86 . 1 . 1 17 17 SER C C 13 173.642 0.1 . 1 . . . . . 17 S CO . 51284 1 87 . 1 . 1 17 17 SER CA C 13 57.499 0.1 . 1 . . . . . 17 S CA . 51284 1 88 . 1 . 1 17 17 SER CB C 13 66.848 0.1 . 1 . . . . . 17 S CB . 51284 1 89 . 1 . 1 17 17 SER N N 15 115.930 0.2 . 1 . . . . . 17 S N . 51284 1 90 . 1 . 1 18 18 GLY C C 13 171.953 0.1 . 1 . . . . . 18 G CO . 51284 1 91 . 1 . 1 18 18 GLY CA C 13 45.779 0.1 . 1 . . . . . 18 G CA . 51284 1 92 . 1 . 1 18 18 GLY N N 15 108.064 0.2 . 1 . . . . . 18 G N . 51284 1 93 . 1 . 1 19 19 VAL C C 13 174.190 0.1 . 1 . . . . . 19 V CO . 51284 1 94 . 1 . 1 19 19 VAL CA C 13 60.432 0.1 . 1 . . . . . 19 V CA . 51284 1 95 . 1 . 1 19 19 VAL CB C 13 36.014 0.1 . 1 . . . . . 19 V CB . 51284 1 96 . 1 . 1 19 19 VAL CG1 C 13 22.541 0.1 . 1 . . . . . 19 V CG1 . 51284 1 97 . 1 . 1 19 19 VAL CG2 C 13 20.793 0.1 . 1 . . . . . 19 V CG2 . 51284 1 98 . 1 . 1 19 19 VAL N N 15 118.659 0.2 . 1 . . . . . 19 V N . 51284 1 99 . 1 . 1 20 20 SER C C 13 173.366 0.1 . 1 . . . . . 20 S CO . 51284 1 100 . 1 . 1 20 20 SER CA C 13 57.811 0.1 . 1 . . . . . 20 S CA . 51284 1 101 . 1 . 1 20 20 SER CB C 13 66.062 0.1 . 1 . . . . . 20 S CB . 51284 1 102 . 1 . 1 20 20 SER N N 15 115.782 0.2 . 1 . . . . . 20 S N . 51284 1 103 . 1 . 1 21 21 ARG C C 13 181.576 0.1 . 1 . . . . . 21 R CO . 51284 1 104 . 1 . 1 21 21 ARG CA C 13 54.218 0.1 . 1 . . . . . 21 R CA . 51284 1 105 . 1 . 1 21 21 ARG CB C 13 29.048 0.1 . 1 . . . . . 21 R CB . 51284 1 106 . 1 . 1 21 21 ARG CG C 13 26.363 0.1 . 1 . . . . . 21 R CG . 51284 1 107 . 1 . 1 21 21 ARG CD C 13 43.977 0.1 . 1 . . . . . 21 R CD . 51284 1 108 . 1 . 1 21 21 ARG CZ C 13 160.093 0.1 . 1 . . . . . 21 R CZ . 51284 1 109 . 1 . 1 21 21 ARG N N 15 125.409 0.2 . 1 . . . . . 21 R N . 51284 1 110 . 1 . 1 21 21 ARG NE N 15 89.788 0.2 . 1 . . . . . 21 R NE . 51284 1 111 . 1 . 1 22 22 GLN N N 15 124.831 0.2 . 1 . . . . . 22 Q N . 51284 1 112 . 1 . 1 23 23 GLY C C 13 175.691 0.1 . 1 . . . . . 23 G CO . 51284 1 113 . 1 . 1 23 23 GLY CA C 13 45.771 0.1 . 1 . . . . . 23 G CA . 51284 1 114 . 1 . 1 23 23 GLY N N 15 108.512 0.2 . 1 . . . . . 23 G N . 51284 1 115 . 1 . 1 24 24 LYS C C 13 172.498 0.1 . 1 . . . . . 24 K CO . 51284 1 116 . 1 . 1 24 24 LYS CA C 13 58.226 0.1 . 1 . . . . . 24 K CA . 51284 1 117 . 1 . 1 24 24 LYS CB C 13 36.181 0.1 . 1 . . . . . 24 K CB . 51284 1 118 . 1 . 1 24 24 LYS N N 15 117.149 0.2 . 1 . . . . . 24 K N . 51284 1 119 . 1 . 1 25 25 PRO C C 13 177.516 0.1 . 1 . . . . . 25 P CO . 51284 1 120 . 1 . 1 25 25 PRO CA C 13 64.012 0.1 . 1 . . . . . 25 P CA . 51284 1 121 . 1 . 1 25 25 PRO CB C 13 32.771 0.1 . 1 . . . . . 25 P CB . 51284 1 122 . 1 . 1 25 25 PRO CG C 13 28.757 0.1 . 1 . . . . . 25 P CG . 51284 1 123 . 1 . 1 25 25 PRO CD C 13 51.789 0.1 . 1 . . . . . 25 P CD . 51284 1 124 . 1 . 1 25 25 PRO N N 15 139.591 0.1 . 1 . . . . . 25 P N . 51284 1 125 . 1 . 1 26 26 TYR C C 13 177.501 0.1 . 1 . . . . . 26 Y CO . 51284 1 126 . 1 . 1 26 26 TYR CA C 13 58.258 0.1 . 1 . . . . . 26 Y CA . 51284 1 127 . 1 . 1 26 26 TYR CB C 13 45.662 0.1 . 1 . . . . . 26 Y CB . 51284 1 128 . 1 . 1 26 26 TYR CG C 13 129.678 0.1 . 1 . . . . . 26 Y CG . 51284 1 129 . 1 . 1 26 26 TYR CD1 C 13 132.698 0.1 . 3 . . . . . 26 Y CD1 . 51284 1 130 . 1 . 1 26 26 TYR CD2 C 13 132.695 0.1 . 3 . . . . . 26 Y CD2 . 51284 1 131 . 1 . 1 26 26 TYR CE1 C 13 118.231 0.1 . 3 . . . . . 26 Y CE1 . 51284 1 132 . 1 . 1 26 26 TYR CE2 C 13 118.233 0.1 . 3 . . . . . 26 Y CE2 . 51284 1 133 . 1 . 1 26 26 TYR CZ C 13 157.633 0.1 . 1 . . . . . 26 Y CZ . 51284 1 134 . 1 . 1 26 26 TYR N N 15 128.764 0.2 . 1 . . . . . 26 Y N . 51284 1 135 . 1 . 1 27 27 SER C C 13 173.184 0.1 . 1 . . . . . 27 S CO . 51284 1 136 . 1 . 1 27 27 SER CA C 13 56.290 0.1 . 1 . . . . . 27 S CA . 51284 1 137 . 1 . 1 27 27 SER CB C 13 65.983 0.1 . 1 . . . . . 27 S CB . 51284 1 138 . 1 . 1 27 27 SER N N 15 115.143 0.2 . 1 . . . . . 27 S N . 51284 1 139 . 1 . 1 28 28 LEU C C 13 174.566 0.1 . 1 . . . . . 28 L CO . 51284 1 140 . 1 . 1 28 28 LEU CA C 13 53.510 0.1 . 1 . . . . . 28 L CA . 51284 1 141 . 1 . 1 28 28 LEU CB C 13 45.802 0.1 . 1 . . . . . 28 L CB . 51284 1 142 . 1 . 1 28 28 LEU N N 15 125.384 0.2 . 1 . . . . . 28 L N . 51284 1 143 . 1 . 1 29 29 ASN C C 13 174.696 0.1 . 1 . . . . . 29 N CO . 51284 1 144 . 1 . 1 29 29 ASN CA C 13 51.105 0.1 . 1 . . . . . 29 N CA . 51284 1 145 . 1 . 1 29 29 ASN CB C 13 39.272 0.1 . 1 . . . . . 29 N CB . 51284 1 146 . 1 . 1 29 29 ASN CG C 13 175.714 0.1 . 1 . . . . . 29 N CG . 51284 1 147 . 1 . 1 29 29 ASN N N 15 124.226 0.2 . 1 . . . . . 29 N N . 51284 1 148 . 1 . 1 29 29 ASN ND2 N 15 115.959 0.2 . 1 . . . . . 29 N ND2 . 51284 1 149 . 1 . 1 30 30 GLU C C 13 175.259 0.1 . 1 . . . . . 30 E CO . 51284 1 150 . 1 . 1 30 30 GLU CA C 13 54.642 0.1 . 1 . . . . . 30 E CA . 51284 1 151 . 1 . 1 30 30 GLU CB C 13 33.975 0.1 . 1 . . . . . 30 E CB . 51284 1 152 . 1 . 1 30 30 GLU CG C 13 36.546 0.1 . 1 . . . . . 30 E CG . 51284 1 153 . 1 . 1 30 30 GLU CD C 13 183.786 0.1 . 1 . . . . . 30 E CD . 51284 1 154 . 1 . 1 30 30 GLU N N 15 121.653 0.2 . 1 . . . . . 30 E N . 51284 1 155 . 1 . 1 31 31 GLN C C 13 172.947 0.1 . 1 . . . . . 31 Q CO . 51284 1 156 . 1 . 1 31 31 GLN CA C 13 54.824 0.1 . 1 . . . . . 31 Q CA . 51284 1 157 . 1 . 1 31 31 GLN CB C 13 33.720 0.1 . 1 . . . . . 31 Q CB . 51284 1 158 . 1 . 1 31 31 GLN CD C 13 179.088 0.1 . 1 . . . . . 31 Q CD . 51284 1 159 . 1 . 1 31 31 GLN N N 15 127.253 0.2 . 1 . . . . . 31 Q N . 51284 1 160 . 1 . 1 31 31 GLN NE2 N 15 108.251 0.2 . 1 . . . . . 31 Q NE2 . 51284 1 161 . 1 . 1 32 32 LEU C C 13 173.867 0.1 . 1 . . . . . 32 L CO . 51284 1 162 . 1 . 1 32 32 LEU CA C 13 54.330 0.1 . 1 . . . . . 32 L CA . 51284 1 163 . 1 . 1 32 32 LEU CB C 13 43.904 0.1 . 1 . . . . . 32 L CB . 51284 1 164 . 1 . 1 32 32 LEU CG C 13 27.940 0.1 . 1 . . . . . 32 L CG . 51284 1 165 . 1 . 1 32 32 LEU CD1 C 13 25.009 0.1 . 2 . . . . . 32 L CD1 . 51284 1 166 . 1 . 1 32 32 LEU N N 15 127.455 0.2 . 1 . . . . . 32 L N . 51284 1 167 . 1 . 1 33 33 CYS C C 13 172.834 0.1 . 1 . . . . . 33 C CO . 51284 1 168 . 1 . 1 33 33 CYS CA C 13 55.840 0.1 . 1 . . . . . 33 C CA . 51284 1 169 . 1 . 1 33 33 CYS CB C 13 32.927 0.1 . 1 . . . . . 33 C CB . 51284 1 170 . 1 . 1 33 33 CYS N N 15 109.683 0.2 . 1 . . . . . 33 C N . 51284 1 171 . 1 . 1 34 34 TYR C C 13 176.926 0.1 . 1 . . . . . 34 Y CO . 51284 1 172 . 1 . 1 34 34 TYR CA C 13 57.739 0.1 . 1 . . . . . 34 Y CA . 51284 1 173 . 1 . 1 34 34 TYR CB C 13 41.487 0.1 . 1 . . . . . 34 Y CB . 51284 1 174 . 1 . 1 34 34 TYR N N 15 115.949 0.2 . 1 . . . . . 34 Y N . 51284 1 175 . 1 . 1 35 35 VAL C C 13 177.475 0.1 . 1 . . . . . 35 V CO . 51284 1 176 . 1 . 1 35 35 VAL CA C 13 63.177 0.1 . 1 . . . . . 35 V CA . 51284 1 177 . 1 . 1 35 35 VAL CB C 13 31.675 0.1 . 1 . . . . . 35 V CB . 51284 1 178 . 1 . 1 35 35 VAL CG1 C 13 23.317 0.1 . 1 . . . . . 35 V CG1 . 51284 1 179 . 1 . 1 35 35 VAL CG2 C 13 21.726 0.1 . 1 . . . . . 35 V CG2 . 51284 1 180 . 1 . 1 35 35 VAL N N 15 122.702 0.2 . 1 . . . . . 35 V N . 51284 1 181 . 1 . 1 36 36 ASP C C 13 174.950 0.1 . 1 . . . . . 36 D CO . 51284 1 182 . 1 . 1 36 36 ASP CA C 13 54.147 0.1 . 1 . . . . . 36 D CA . 51284 1 183 . 1 . 1 36 36 ASP CB C 13 40.832 0.1 . 1 . . . . . 36 D CB . 51284 1 184 . 1 . 1 36 36 ASP CG C 13 180.671 0.1 . 1 . . . . . 36 D CG . 51284 1 185 . 1 . 1 36 36 ASP N N 15 127.121 0.2 . 1 . . . . . 36 D N . 51284 1 186 . 1 . 1 37 37 LEU C C 13 177.963 0.1 . 1 . . . . . 37 L CO . 51284 1 187 . 1 . 1 37 37 LEU CA C 13 53.919 0.1 . 1 . . . . . 37 L CA . 51284 1 188 . 1 . 1 37 37 LEU CB C 13 41.346 0.1 . 1 . . . . . 37 L CB . 51284 1 189 . 1 . 1 37 37 LEU CD1 C 13 26.766 0.1 . 2 . . . . . 37 L CD1 . 51284 1 190 . 1 . 1 37 37 LEU CD2 C 13 26.094 0.1 . 2 . . . . . 37 L CD2 . 51284 1 191 . 1 . 1 37 37 LEU N N 15 126.181 0.2 . 1 . . . . . 37 L N . 51284 1 192 . 1 . 1 38 38 GLY C C 13 173.365 0.1 . 1 . . . . . 38 G CO . 51284 1 193 . 1 . 1 38 38 GLY CA C 13 45.680 0.1 . 1 . . . . . 38 G CA . 51284 1 194 . 1 . 1 38 38 GLY N N 15 108.031 0.2 . 1 . . . . . 38 G N . 51284 1 195 . 1 . 1 39 39 ASN C C 13 175.382 0.1 . 1 . . . . . 39 N CO . 51284 1 196 . 1 . 1 39 39 ASN CA C 13 52.830 0.1 . 1 . . . . . 39 N CA . 51284 1 197 . 1 . 1 39 39 ASN CB C 13 39.484 0.1 . 1 . . . . . 39 N CB . 51284 1 198 . 1 . 1 39 39 ASN CG C 13 177.445 0.1 . 1 . . . . . 39 N CG . 51284 1 199 . 1 . 1 39 39 ASN N N 15 114.528 0.2 . 1 . . . . . 39 N N . 51284 1 200 . 1 . 1 39 39 ASN ND2 N 15 111.653 0.2 . 1 . . . . . 39 N ND2 . 51284 1 201 . 1 . 1 40 40 GLU C C 13 176.047 0.1 . 1 . . . . . 40 E CO . 51284 1 202 . 1 . 1 40 40 GLU CA C 13 60.092 0.1 . 1 . . . . . 40 E CA . 51284 1 203 . 1 . 1 40 40 GLU CB C 13 29.318 0.1 . 1 . . . . . 40 E CB . 51284 1 204 . 1 . 1 40 40 GLU CD C 13 183.253 0.1 . 1 . . . . . 40 E CD . 51284 1 205 . 1 . 1 40 40 GLU N N 15 120.474 0.2 . 1 . . . . . 40 E N . 51284 1 206 . 1 . 1 43 43 VAL C C 13 172.888 0.1 . 1 . . . . . 43 V CO . 51284 1 207 . 1 . 1 43 43 VAL CA C 13 61.589 0.1 . 1 . . . . . 43 V CA . 51284 1 208 . 1 . 1 43 43 VAL CB C 13 37.163 0.1 . 1 . . . . . 43 V CB . 51284 1 209 . 1 . 1 43 43 VAL CG1 C 13 24.226 0.1 . 1 . . . . . 43 V CG1 . 51284 1 210 . 1 . 1 43 43 VAL CG2 C 13 23.773 0.1 . 1 . . . . . 43 V CG2 . 51284 1 211 . 1 . 1 43 43 VAL N N 15 128.577 0.2 . 1 . . . . . 43 V N . 51284 1 212 . 1 . 1 44 44 LEU C C 13 175.527 0.1 . 1 . . . . . 44 L CO . 51284 1 213 . 1 . 1 44 44 LEU CA C 13 55.429 0.1 . 1 . . . . . 44 L CA . 51284 1 214 . 1 . 1 44 44 LEU CB C 13 42.096 0.1 . 1 . . . . . 44 L CB . 51284 1 215 . 1 . 1 44 44 LEU N N 15 125.337 0.2 . 1 . . . . . 44 L N . 51284 1 216 . 1 . 1 45 45 VAL C C 13 175.283 0.1 . 1 . . . . . 45 V CO . 51284 1 217 . 1 . 1 45 45 VAL CA C 13 60.075 0.1 . 1 . . . . . 45 V CA . 51284 1 218 . 1 . 1 45 45 VAL CB C 13 34.666 0.1 . 1 . . . . . 45 V CB . 51284 1 219 . 1 . 1 45 45 VAL CG1 C 13 22.463 0.1 . 1 . . . . . 45 V CG1 . 51284 1 220 . 1 . 1 45 45 VAL CG2 C 13 20.091 0.1 . 1 . . . . . 45 V CG2 . 51284 1 221 . 1 . 1 45 45 VAL N N 15 116.179 0.2 . 1 . . . . . 45 V N . 51284 1 222 . 1 . 1 46 46 LYS C C 13 176.996 0.1 . 1 . . . . . 46 K CO . 51284 1 223 . 1 . 1 46 46 LYS CA C 13 55.296 0.1 . 1 . . . . . 46 K CA . 51284 1 224 . 1 . 1 46 46 LYS CB C 13 34.262 0.1 . 1 . . . . . 46 K CB . 51284 1 225 . 1 . 1 46 46 LYS CG C 13 24.866 0.1 . 1 . . . . . 46 K CG . 51284 1 226 . 1 . 1 46 46 LYS CD C 13 27.269 0.1 . 1 . . . . . 46 K CD . 51284 1 227 . 1 . 1 46 46 LYS CE C 13 43.485 0.1 . 1 . . . . . 46 K CE . 51284 1 228 . 1 . 1 46 46 LYS N N 15 127.159 0.2 . 1 . . . . . 46 K N . 51284 1 229 . 1 . 1 47 47 ILE C C 13 175.667 0.1 . 1 . . . . . 47 I CO . 51284 1 230 . 1 . 1 47 47 ILE CA C 13 60.343 0.1 . 1 . . . . . 47 I CA . 51284 1 231 . 1 . 1 47 47 ILE CB C 13 40.921 0.1 . 1 . . . . . 47 I CB . 51284 1 232 . 1 . 1 47 47 ILE CG1 C 13 27.281 0.1 . 1 . . . . . 47 I CG1 . 51284 1 233 . 1 . 1 47 47 ILE CG2 C 13 19.840 0.1 . 1 . . . . . 47 I CG2 . 51284 1 234 . 1 . 1 47 47 ILE CD1 C 13 14.293 0.1 . 1 . . . . . 47 I CD1 . 51284 1 235 . 1 . 1 47 47 ILE N N 15 128.405 0.2 . 1 . . . . . 47 I N . 51284 1 236 . 1 . 1 48 48 THR C C 13 174.537 0.1 . 1 . . . . . 48 T CO . 51284 1 237 . 1 . 1 48 48 THR CA C 13 62.245 0.1 . 1 . . . . . 48 T CA . 51284 1 238 . 1 . 1 48 48 THR CB C 13 69.425 0.1 . 1 . . . . . 48 T CB . 51284 1 239 . 1 . 1 48 48 THR CG2 C 13 22.036 0.1 . 1 . . . . . 48 T CG2 . 51284 1 240 . 1 . 1 48 48 THR N N 15 122.965 0.2 . 1 . . . . . 48 T N . 51284 1 241 . 1 . 1 49 49 LEU C C 13 178.886 0.1 . 1 . . . . . 49 L CO . 51284 1 242 . 1 . 1 49 49 LEU CA C 13 54.902 0.1 . 1 . . . . . 49 L CA . 51284 1 243 . 1 . 1 49 49 LEU CB C 13 43.470 0.1 . 1 . . . . . 49 L CB . 51284 1 244 . 1 . 1 49 49 LEU N N 15 127.181 0.2 . 1 . . . . . 49 L N . 51284 1 245 . 1 . 1 50 50 ASP C C 13 177.088 0.1 . 1 . . . . . 50 D CO . 51284 1 246 . 1 . 1 50 50 ASP CA C 13 54.413 0.1 . 1 . . . . . 50 D CA . 51284 1 247 . 1 . 1 50 50 ASP CB C 13 42.908 0.1 . 1 . . . . . 50 D CB . 51284 1 248 . 1 . 1 50 50 ASP CG C 13 180.615 0.1 . 1 . . . . . 50 D CG . 51284 1 249 . 1 . 1 50 50 ASP N N 15 120.422 0.2 . 1 . . . . . 50 D N . 51284 1 250 . 1 . 1 51 51 GLU C C 13 177.568 0.1 . 1 . . . . . 51 E CO . 51284 1 251 . 1 . 1 51 51 GLU CA C 13 58.323 0.1 . 1 . . . . . 51 E CA . 51284 1 252 . 1 . 1 51 51 GLU CB C 13 29.668 0.1 . 1 . . . . . 51 E CB . 51284 1 253 . 1 . 1 51 51 GLU CG C 13 34.145 0.1 . 1 . . . . . 51 E CG . 51284 1 254 . 1 . 1 51 51 GLU CD C 13 184.052 0.1 . 1 . . . . . 51 E CD . 51284 1 255 . 1 . 1 51 51 GLU N N 15 122.944 0.2 . 1 . . . . . 51 E N . 51284 1 256 . 1 . 1 52 52 GLY C C 13 173.763 0.1 . 1 . . . . . 52 G CO . 51284 1 257 . 1 . 1 52 52 GLY CA C 13 45.573 0.1 . 1 . . . . . 52 G CA . 51284 1 258 . 1 . 1 52 52 GLY N N 15 115.453 0.2 . 1 . . . . . 52 G N . 51284 1 259 . 1 . 1 53 53 GLN C C 13 174.464 0.1 . 1 . . . . . 53 Q CO . 51284 1 260 . 1 . 1 53 53 GLN CA C 13 53.266 0.1 . 1 . . . . . 53 Q CA . 51284 1 261 . 1 . 1 53 53 GLN CB C 13 29.836 0.1 . 1 . . . . . 53 Q CB . 51284 1 262 . 1 . 1 53 53 GLN CG C 13 35.018 0.1 . 1 . . . . . 53 Q CG . 51284 1 263 . 1 . 1 53 53 GLN CD C 13 179.109 0.1 . 1 . . . . . 53 Q CD . 51284 1 264 . 1 . 1 53 53 GLN N N 15 120.651 0.2 . 1 . . . . . 53 Q N . 51284 1 265 . 1 . 1 53 53 GLN NE2 N 15 110.524 0.2 . 1 . . . . . 53 Q NE2 . 51284 1 266 . 1 . 1 54 54 PRO C C 13 175.560 0.1 . 1 . . . . . 54 P CO . 51284 1 267 . 1 . 1 54 54 PRO CA C 13 62.039 0.1 . 1 . . . . . 54 P CA . 51284 1 268 . 1 . 1 54 54 PRO CB C 13 32.510 0.1 . 1 . . . . . 54 P CB . 51284 1 269 . 1 . 1 54 54 PRO CG C 13 26.842 0.1 . 1 . . . . . 54 P CG . 51284 1 270 . 1 . 1 54 54 PRO CD C 13 49.899 0.1 . 1 . . . . . 54 P CD . 51284 1 271 . 1 . 1 54 54 PRO N N 15 136.780 0.2 . 1 . . . . . 54 P N . 51284 1 272 . 1 . 1 55 55 ALA C C 13 179.318 0.1 . 1 . . . . . 55 A CO . 51284 1 273 . 1 . 1 55 55 ALA CA C 13 52.871 0.1 . 1 . . . . . 55 A CA . 51284 1 274 . 1 . 1 55 55 ALA CB C 13 18.209 0.1 . 1 . . . . . 55 A CB . 51284 1 275 . 1 . 1 55 55 ALA N N 15 120.420 0.2 . 1 . . . . . 55 A N . 51284 1 276 . 1 . 1 56 56 TYR C C 13 176.923 0.1 . 1 . . . . . 56 Y CO . 51284 1 277 . 1 . 1 56 56 TYR CA C 13 60.413 0.1 . 1 . . . . . 56 Y CA . 51284 1 278 . 1 . 1 56 56 TYR CB C 13 38.328 0.1 . 1 . . . . . 56 Y CB . 51284 1 279 . 1 . 1 56 56 TYR N N 15 124.141 0.2 . 1 . . . . . 56 Y N . 51284 1 280 . 1 . 1 57 57 ALA C C 13 176.499 0.1 . 1 . . . . . 57 A CO . 51284 1 281 . 1 . 1 57 57 ALA CA C 13 50.648 0.1 . 1 . . . . . 57 A CA . 51284 1 282 . 1 . 1 57 57 ALA CB C 13 18.105 0.1 . 1 . . . . . 57 A CB . 51284 1 283 . 1 . 1 57 57 ALA N N 15 124.495 0.2 . 1 . . . . . 57 A N . 51284 1 284 . 1 . 1 58 58 PRO C C 13 176.253 0.1 . 1 . . . . . 58 P CO . 51284 1 285 . 1 . 1 58 58 PRO CA C 13 63.623 0.1 . 1 . . . . . 58 P CA . 51284 1 286 . 1 . 1 58 58 PRO CB C 13 31.900 0.1 . 1 . . . . . 58 P CB . 51284 1 287 . 1 . 1 58 58 PRO CG C 13 29.347 0.1 . 1 . . . . . 58 P CG . 51284 1 288 . 1 . 1 58 58 PRO CD C 13 50.462 0.1 . 1 . . . . . 58 P CD . 51284 1 289 . 1 . 1 58 58 PRO N N 15 133.198 0.2 . 1 . . . . . 58 P N . 51284 1 290 . 1 . 1 59 59 GLY C C 13 171.902 0.1 . 1 . . . . . 59 G CO . 51284 1 291 . 1 . 1 59 59 GLY CA C 13 44.544 0.1 . 1 . . . . . 59 G CA . 51284 1 292 . 1 . 1 59 59 GLY N N 15 110.792 0.2 . 1 . . . . . 59 G N . 51284 1 293 . 1 . 1 60 60 LEU C C 13 178.782 0.1 . 1 . . . . . 60 L CO . 51284 1 294 . 1 . 1 60 60 LEU CA C 13 54.132 0.1 . 1 . . . . . 60 L CA . 51284 1 295 . 1 . 1 60 60 LEU CB C 13 44.710 0.1 . 1 . . . . . 60 L CB . 51284 1 296 . 1 . 1 60 60 LEU CG C 13 27.541 0.1 . 1 . . . . . 60 L CG . 51284 1 297 . 1 . 1 60 60 LEU CD2 C 13 23.882 0.1 . 2 . . . . . 60 L CD2 . 51284 1 298 . 1 . 1 60 60 LEU N N 15 117.622 0.2 . 1 . . . . . 60 L N . 51284 1 299 . 1 . 1 61 61 TYR C C 13 173.798 0.1 . 1 . . . . . 61 Y CO . 51284 1 300 . 1 . 1 61 61 TYR CA C 13 57.905 0.1 . 1 . . . . . 61 Y CA . 51284 1 301 . 1 . 1 61 61 TYR CB C 13 45.443 0.1 . 1 . . . . . 61 Y CB . 51284 1 302 . 1 . 1 61 61 TYR CG C 13 129.472 0.1 . 1 . . . . . 61 Y CG . 51284 1 303 . 1 . 1 61 61 TYR N N 15 124.375 0.2 . 1 . . . . . 61 Y N . 51284 1 304 . 1 . 1 62 62 THR C C 13 173.579 0.1 . 1 . . . . . 62 T CO . 51284 1 305 . 1 . 1 62 62 THR CA C 13 58.590 0.1 . 1 . . . . . 62 T CA . 51284 1 306 . 1 . 1 62 62 THR CB C 13 72.246 0.1 . 1 . . . . . 62 T CB . 51284 1 307 . 1 . 1 62 62 THR CG2 C 13 18.661 0.1 . 1 . . . . . 62 T CG2 . 51284 1 308 . 1 . 1 62 62 THR N N 15 114.027 0.2 . 1 . . . . . 62 T N . 51284 1 309 . 1 . 1 63 63 VAL C C 13 175.529 0.1 . 1 . . . . . 63 V CO . 51284 1 310 . 1 . 1 63 63 VAL CA C 13 62.063 0.1 . 1 . . . . . 63 V CA . 51284 1 311 . 1 . 1 63 63 VAL CB C 13 34.108 0.1 . 1 . . . . . 63 V CB . 51284 1 312 . 1 . 1 63 63 VAL CG1 C 13 23.493 0.1 . 1 . . . . . 63 V CG1 . 51284 1 313 . 1 . 1 63 63 VAL N N 15 121.647 0.2 . 1 . . . . . 63 V N . 51284 1 314 . 1 . 1 64 64 HIS C C 13 177.537 0.1 . 1 . . . . . 64 H CO . 51284 1 315 . 1 . 1 64 64 HIS CA C 13 58.104 0.1 . 1 . . . . . 64 H CA . 51284 1 316 . 1 . 1 64 64 HIS CB C 13 33.046 0.1 . 1 . . . . . 64 H CB . 51284 1 317 . 1 . 1 64 64 HIS CG C 13 131.736 0.1 . 1 . . . . . 64 H CG . 51284 1 318 . 1 . 1 64 64 HIS CD2 C 13 118.260 0.1 . 1 . . . . . 64 H CD2 . 51284 1 319 . 1 . 1 64 64 HIS CE1 C 13 137.483 0.1 . 1 . . . . . 64 H CE1 . 51284 1 320 . 1 . 1 64 64 HIS N N 15 129.455 0.2 . 1 . . . . . 64 H N . 51284 1 321 . 1 . 1 64 64 HIS NE2 N 15 186.847 0.2 . 1 . . . . . 64 H NE2 . 51284 1 322 . 1 . 1 65 65 LEU C C 13 177.599 0.1 . 1 . . . . . 65 L CO . 51284 1 323 . 1 . 1 65 65 LEU CA C 13 58.201 0.1 . 1 . . . . . 65 L CA . 51284 1 324 . 1 . 1 65 65 LEU CB C 13 43.329 0.1 . 1 . . . . . 65 L CB . 51284 1 325 . 1 . 1 65 65 LEU CG C 13 27.063 0.1 . 1 . . . . . 65 L CG . 51284 1 326 . 1 . 1 65 65 LEU CD1 C 13 23.987 0.1 . 2 . . . . . 65 L CD1 . 51284 1 327 . 1 . 1 65 65 LEU CD2 C 13 22.270 0.1 . 2 . . . . . 65 L CD2 . 51284 1 328 . 1 . 1 65 65 LEU N N 15 131.559 0.2 . 1 . . . . . 65 L N . 51284 1 329 . 1 . 1 66 66 SER C C 13 176.722 0.1 . 1 . . . . . 66 S CO . 51284 1 330 . 1 . 1 66 66 SER CA C 13 60.855 0.1 . 1 . . . . . 66 S CA . 51284 1 331 . 1 . 1 66 66 SER CB C 13 63.353 0.1 . 1 . . . . . 66 S CB . 51284 1 332 . 1 . 1 66 66 SER N N 15 115.617 0.2 . 1 . . . . . 66 S N . 51284 1 333 . 1 . 1 67 67 SER C C 13 172.955 0.1 . 1 . . . . . 67 S CO . 51284 1 334 . 1 . 1 67 67 SER CA C 13 61.428 0.1 . 1 . . . . . 67 S CA . 51284 1 335 . 1 . 1 67 67 SER CB C 13 64.162 0.1 . 1 . . . . . 67 S CB . 51284 1 336 . 1 . 1 67 67 SER N N 15 120.365 0.2 . 1 . . . . . 67 S N . 51284 1 337 . 1 . 1 68 68 PHE C C 13 174.320 0.1 . 1 . . . . . 68 F CO . 51284 1 338 . 1 . 1 68 68 PHE CA C 13 57.092 0.1 . 1 . . . . . 68 F CA . 51284 1 339 . 1 . 1 68 68 PHE CB C 13 41.777 0.1 . 1 . . . . . 68 F CB . 51284 1 340 . 1 . 1 68 68 PHE CG C 13 140.425 0.1 . 1 . . . . . 68 F CG . 51284 1 341 . 1 . 1 68 68 PHE CD1 C 13 132.257 0.1 . 3 . . . . . 68 F CD1 . 51284 1 342 . 1 . 1 68 68 PHE CD2 C 13 132.271 0.1 . 3 . . . . . 68 F CD2 . 51284 1 343 . 1 . 1 68 68 PHE CE1 C 13 130.861 0.1 . 3 . . . . . 68 F CE1 . 51284 1 344 . 1 . 1 68 68 PHE CE2 C 13 130.861 0.1 . 3 . . . . . 68 F CE2 . 51284 1 345 . 1 . 1 68 68 PHE N N 15 116.930 0.2 . 1 . . . . . 68 F N . 51284 1 346 . 1 . 1 69 69 LYS C C 13 172.361 0.1 . 1 . . . . . 69 K CO . 51284 1 347 . 1 . 1 69 69 LYS CA C 13 58.341 0.1 . 1 . . . . . 69 K CA . 51284 1 348 . 1 . 1 69 69 LYS CB C 13 36.578 0.1 . 1 . . . . . 69 K CB . 51284 1 349 . 1 . 1 69 69 LYS CG C 13 28.819 0.1 . 1 . . . . . 69 K CG . 51284 1 350 . 1 . 1 69 69 LYS CD C 13 29.959 0.1 . 1 . . . . . 69 K CD . 51284 1 351 . 1 . 1 69 69 LYS CE C 13 43.496 0.1 . 1 . . . . . 69 K CE . 51284 1 352 . 1 . 1 69 69 LYS N N 15 117.017 0.2 . 1 . . . . . 69 K N . 51284 1 353 . 1 . 1 70 70 VAL C C 13 177.539 0.1 . 1 . . . . . 70 V CO . 51284 1 354 . 1 . 1 70 70 VAL CA C 13 63.328 0.1 . 1 . . . . . 70 V CA . 51284 1 355 . 1 . 1 70 70 VAL CB C 13 31.880 0.1 . 1 . . . . . 70 V CB . 51284 1 356 . 1 . 1 70 70 VAL CG1 C 13 23.514 0.1 . 1 . . . . . 70 V CG1 . 51284 1 357 . 1 . 1 70 70 VAL CG2 C 13 21.773 0.1 . 1 . . . . . 70 V CG2 . 51284 1 358 . 1 . 1 70 70 VAL N N 15 122.583 0.2 . 1 . . . . . 70 V N . 51284 1 359 . 1 . 1 71 71 GLY C C 13 177.276 0.1 . 1 . . . . . 71 G CO . 51284 1 360 . 1 . 1 71 71 GLY CA C 13 45.650 0.1 . 1 . . . . . 71 G CA . 51284 1 361 . 1 . 1 71 71 GLY N N 15 113.794 0.2 . 1 . . . . . 71 G N . 51284 1 362 . 1 . 1 72 72 GLN C C 13 176.589 0.1 . 1 . . . . . 72 Q CO . 51284 1 363 . 1 . 1 72 72 GLN CA C 13 58.185 0.1 . 1 . . . . . 72 Q CA . 51284 1 364 . 1 . 1 72 72 GLN CB C 13 28.915 0.1 . 1 . . . . . 72 Q CB . 51284 1 365 . 1 . 1 72 72 GLN CG C 13 32.995 0.1 . 1 . . . . . 72 Q CG . 51284 1 366 . 1 . 1 72 72 GLN CD C 13 178.900 0.1 . 1 . . . . . 72 Q CD . 51284 1 367 . 1 . 1 72 72 GLN N N 15 117.054 0.2 . 1 . . . . . 72 Q N . 51284 1 368 . 1 . 1 72 72 GLN NE2 N 15 109.094 0.2 . 1 . . . . . 72 Q NE2 . 51284 1 369 . 1 . 1 73 73 PHE C C 13 176.402 0.1 . 1 . . . . . 73 F CO . 51284 1 370 . 1 . 1 73 73 PHE CA C 13 58.520 0.1 . 1 . . . . . 73 F CA . 51284 1 371 . 1 . 1 73 73 PHE CB C 13 38.645 0.1 . 1 . . . . . 73 F CB . 51284 1 372 . 1 . 1 73 73 PHE CG C 13 141.579 0.1 . 1 . . . . . 73 F CG . 51284 1 373 . 1 . 1 73 73 PHE CE1 C 13 131.288 0.1 . 3 . . . . . 73 F CE1 . 51284 1 374 . 1 . 1 73 73 PHE CE2 C 13 131.288 0.1 . 3 . . . . . 73 F CE2 . 51284 1 375 . 1 . 1 73 73 PHE N N 15 117.310 0.2 . 1 . . . . . 73 F N . 51284 1 376 . 1 . 1 74 74 GLY C C 13 176.416 0.1 . 1 . . . . . 74 G CO . 51284 1 377 . 1 . 1 74 74 GLY CA C 13 45.674 0.1 . 1 . . . . . 74 G CA . 51284 1 378 . 1 . 1 74 74 GLY N N 15 107.671 0.2 . 1 . . . . . 74 G N . 51284 1 379 . 1 . 1 76 76 LEU C C 13 175.026 0.1 . 1 . . . . . 76 L CO . 51284 1 380 . 1 . 1 76 76 LEU CA C 13 54.494 0.1 . 1 . . . . . 76 L CA . 51284 1 381 . 1 . 1 76 76 LEU CB C 13 38.077 0.1 . 1 . . . . . 76 L CB . 51284 1 382 . 1 . 1 76 76 LEU N N 15 123.936 0.2 . 1 . . . . . 76 L N . 51284 1 383 . 1 . 1 77 77 MET N N 15 120.524 0.2 . 1 . . . . . 77 M N . 51284 1 384 . 1 . 1 78 78 ILE C C 13 176.122 0.1 . 1 . . . . . 78 I CO . 51284 1 385 . 1 . 1 78 78 ILE CA C 13 61.448 0.1 . 1 . . . . . 78 I CA . 51284 1 386 . 1 . 1 78 78 ILE CB C 13 38.593 0.1 . 1 . . . . . 78 I CB . 51284 1 387 . 1 . 1 78 78 ILE CG1 C 13 29.567 0.1 . 1 . . . . . 78 I CG1 . 51284 1 388 . 1 . 1 78 78 ILE CG2 C 13 17.237 0.1 . 1 . . . . . 78 I CG2 . 51284 1 389 . 1 . 1 78 78 ILE CD1 C 13 13.019 0.1 . 1 . . . . . 78 I CD1 . 51284 1 390 . 1 . 1 78 78 ILE N N 15 120.577 0.2 . 1 . . . . . 78 I N . 51284 1 391 . 1 . 1 79 79 ASP C C 13 174.308 0.1 . 1 . . . . . 79 D CO . 51284 1 392 . 1 . 1 79 79 ASP CA C 13 55.461 0.1 . 1 . . . . . 79 D CA . 51284 1 393 . 1 . 1 79 79 ASP CB C 13 42.235 0.1 . 1 . . . . . 79 D CB . 51284 1 394 . 1 . 1 79 79 ASP CG C 13 178.323 0.1 . 1 . . . . . 79 D CG . 51284 1 395 . 1 . 1 79 79 ASP N N 15 128.310 0.2 . 1 . . . . . 79 D N . 51284 1 396 . 1 . 1 80 80 ARG C C 13 174.099 0.1 . 1 . . . . . 80 R CO . 51284 1 397 . 1 . 1 80 80 ARG CA C 13 53.823 0.1 . 1 . . . . . 80 R CA . 51284 1 398 . 1 . 1 80 80 ARG CB C 13 34.186 0.1 . 1 . . . . . 80 R CB . 51284 1 399 . 1 . 1 80 80 ARG N N 15 112.977 0.2 . 1 . . . . . 80 R N . 51284 1 400 . 1 . 1 81 81 LEU C C 13 174.052 0.1 . 1 . . . . . 81 L CO . 51284 1 401 . 1 . 1 81 81 LEU CA C 13 55.443 0.1 . 1 . . . . . 81 L CA . 51284 1 402 . 1 . 1 81 81 LEU CB C 13 41.773 0.1 . 1 . . . . . 81 L CB . 51284 1 403 . 1 . 1 81 81 LEU CG C 13 27.769 0.1 . 1 . . . . . 81 L CG . 51284 1 404 . 1 . 1 81 81 LEU CD1 C 13 25.448 0.1 . 2 . . . . . 81 L CD1 . 51284 1 405 . 1 . 1 81 81 LEU CD2 C 13 24.751 0.1 . 2 . . . . . 81 L CD2 . 51284 1 406 . 1 . 1 81 81 LEU N N 15 125.391 0.2 . 1 . . . . . 81 L N . 51284 1 407 . 1 . 1 82 82 ARG C C 13 175.628 0.1 . 1 . . . . . 82 R CO . 51284 1 408 . 1 . 1 82 82 ARG CA C 13 56.728 0.1 . 1 . . . . . 82 R CA . 51284 1 409 . 1 . 1 82 82 ARG CB C 13 29.703 0.1 . 1 . . . . . 82 R CB . 51284 1 410 . 1 . 1 82 82 ARG CG C 13 25.021 0.1 . 1 . . . . . 82 R CG . 51284 1 411 . 1 . 1 82 82 ARG CZ C 13 160.166 0.1 . 1 . . . . . 82 R CZ . 51284 1 412 . 1 . 1 82 82 ARG N N 15 130.428 0.2 . 1 . . . . . 82 R N . 51284 1 413 . 1 . 1 82 82 ARG NE N 15 85.629 0.2 . 1 . . . . . 82 R NE . 51284 1 414 . 1 . 1 83 83 LEU C C 13 177.766 0.1 . 1 . . . . . 83 L CO . 51284 1 415 . 1 . 1 83 83 LEU CA C 13 53.137 0.1 . 1 . . . . . 83 L CA . 51284 1 416 . 1 . 1 83 83 LEU CB C 13 42.639 0.1 . 1 . . . . . 83 L CB . 51284 1 417 . 1 . 1 83 83 LEU CG C 13 26.590 0.1 . 1 . . . . . 83 L CG . 51284 1 418 . 1 . 1 83 83 LEU CD1 C 13 24.862 0.1 . 2 . . . . . 83 L CD1 . 51284 1 419 . 1 . 1 83 83 LEU CD2 C 13 22.832 0.1 . 2 . . . . . 83 L CD2 . 51284 1 420 . 1 . 1 83 83 LEU N N 15 122.364 0.2 . 1 . . . . . 83 L N . 51284 1 421 . 1 . 1 84 84 VAL CA C 13 61.084 0.1 . 1 . . . . . 84 V CA . 51284 1 422 . 1 . 1 84 84 VAL CB C 13 34.737 0.1 . 1 . . . . . 84 V CB . 51284 1 423 . 1 . 1 84 84 VAL CG1 C 13 22.406 0.1 . 1 . . . . . 84 V CG1 . 51284 1 424 . 1 . 1 84 84 VAL CG2 C 13 20.266 0.1 . 1 . . . . . 84 V CG2 . 51284 1 425 . 1 . 1 84 84 VAL N N 15 116.708 0.2 . 1 . . . . . 84 V N . 51284 1 426 . 1 . 1 85 85 PRO C C 13 174.531 0.1 . 1 . . . . . 85 P CO . 51284 1 427 . 1 . 1 85 85 PRO CA C 13 63.257 0.1 . 1 . . . . . 85 P CA . 51284 1 428 . 1 . 1 85 85 PRO CB C 13 33.591 0.1 . 1 . . . . . 85 P CB . 51284 1 429 . 1 . 1 85 85 PRO CG C 13 28.138 0.1 . 1 . . . . . 85 P CG . 51284 1 430 . 1 . 1 85 85 PRO CD C 13 51.052 0.1 . 1 . . . . . 85 P CD . 51284 1 431 . 1 . 1 85 85 PRO N N 15 133.786 0.2 . 1 . . . . . 85 P N . 51284 1 432 . 1 . 1 86 86 ALA C C 13 181.062 0.1 . 1 . . . . . 86 A CO . 51284 1 433 . 1 . 1 86 86 ALA CA C 13 56.111 0.1 . 1 . . . . . 86 A CA . 51284 1 434 . 1 . 1 86 86 ALA CB C 13 17.640 0.1 . 1 . . . . . 86 A CB . 51284 1 435 . 1 . 1 86 86 ALA N N 15 128.745 0.2 . 1 . . . . . 86 A N . 51284 1 436 . 1 . 1 87 87 LYS C C 13 178.512 0.1 . 1 . . . . . 87 K CO . 51284 1 437 . 1 . 1 87 87 LYS CA C 13 56.206 0.1 . 1 . . . . . 87 K CA . 51284 1 438 . 1 . 1 87 87 LYS CB C 13 31.276 0.1 . 1 . . . . . 87 K CB . 51284 1 439 . 1 . 1 87 87 LYS CG C 13 24.195 0.1 . 1 . . . . . 87 K CG . 51284 1 440 . 1 . 1 87 87 LYS CD C 13 29.011 0.1 . 1 . . . . . 87 K CD . 51284 1 441 . 1 . 1 87 87 LYS CE C 13 42.712 0.1 . 1 . . . . . 87 K CE . 51284 1 442 . 1 . 1 87 87 LYS N N 15 113.591 0.2 . 1 . . . . . 87 K N . 51284 1 443 . 1 . 1 87 87 LYS NZ N 15 34.189 0.2 . 1 . . . . . 87 K NZ . 51284 1 stop_ save_