data_27499 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27499 _Entry.Title ; SFRS1-RRM1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-31 _Entry.Accession_date 2018-05-31 _Entry.Last_release_date 2018-06-01 _Entry.Original_release_date 2018-06-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Pedro Serrano . . . . 27499 2 Kurt Wuthrich . . . . 27499 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27499 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 110 27499 '15N chemical shifts' 56 27499 '1H chemical shifts' 59 27499 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 . . 2018-07-31 . original BMRB . 27499 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27499 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR assignments of the the protein SFRS1-RRM1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Kurt Wuthrich . . . . 27499 1 2 Pedro Serrano . . . . 27499 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27499 _Assembly.ID 1 _Assembly.Name sfrs1-rrm1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 sfrs1-RRM1 1 $SFRS1-RRM1 A . yes native no no . . . 27499 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SFRS1-RRM1 _Entity.Sf_category entity _Entity.Sf_framecode SFRS1-RRM1 _Entity.Entry_ID 27499 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SFRS1-RRM1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGSSGSSGMSGGGVIRGPAG NNDCRIYVGNLPPDIRTKDI EDVFYKYGAIRDIDLKNRRG GPPFAFVEFEDPRDAEDAVY GRDGYDYDGYRLRVEFPRSG RGTGSGSGPSS ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . GLY . 27499 1 2 . GLY . 27499 1 3 . SER . 27499 1 4 . SER . 27499 1 5 . GLY . 27499 1 6 . SER . 27499 1 7 . SER . 27499 1 8 . GLY . 27499 1 9 . MET . 27499 1 10 . SER . 27499 1 11 . GLY . 27499 1 12 . GLY . 27499 1 13 . GLY . 27499 1 14 . VAL . 27499 1 15 . ILE . 27499 1 16 . ARG . 27499 1 17 . GLY . 27499 1 18 . PRO . 27499 1 19 . ALA . 27499 1 20 . GLY . 27499 1 21 . ASN . 27499 1 22 . ASN . 27499 1 23 . ASP . 27499 1 24 . CYS . 27499 1 25 . ARG . 27499 1 26 . ILE . 27499 1 27 . TYR . 27499 1 28 . VAL . 27499 1 29 . GLY . 27499 1 30 . ASN . 27499 1 31 . LEU . 27499 1 32 . PRO . 27499 1 33 . PRO . 27499 1 34 . ASP . 27499 1 35 . ILE . 27499 1 36 . ARG . 27499 1 37 . THR . 27499 1 38 . LYS . 27499 1 39 . ASP . 27499 1 40 . ILE . 27499 1 41 . GLU . 27499 1 42 . ASP . 27499 1 43 . VAL . 27499 1 44 . PHE . 27499 1 45 . TYR . 27499 1 46 . LYS . 27499 1 47 . TYR . 27499 1 48 . GLY . 27499 1 49 . ALA . 27499 1 50 . ILE . 27499 1 51 . ARG . 27499 1 52 . ASP . 27499 1 53 . ILE . 27499 1 54 . ASP . 27499 1 55 . LEU . 27499 1 56 . LYS . 27499 1 57 . ASN . 27499 1 58 . ARG . 27499 1 59 . ARG . 27499 1 60 . GLY . 27499 1 61 . GLY . 27499 1 62 . PRO . 27499 1 63 . PRO . 27499 1 64 . PHE . 27499 1 65 . ALA . 27499 1 66 . PHE . 27499 1 67 . VAL . 27499 1 68 . GLU . 27499 1 69 . PHE . 27499 1 70 . GLU . 27499 1 71 . ASP . 27499 1 72 . PRO . 27499 1 73 . ARG . 27499 1 74 . ASP . 27499 1 75 . ALA . 27499 1 76 . GLU . 27499 1 77 . ASP . 27499 1 78 . ALA . 27499 1 79 . VAL . 27499 1 80 . TYR . 27499 1 81 . GLY . 27499 1 82 . ARG . 27499 1 83 . ASP . 27499 1 84 . GLY . 27499 1 85 . TYR . 27499 1 86 . ASP . 27499 1 87 . TYR . 27499 1 88 . ASP . 27499 1 89 . GLY . 27499 1 90 . TYR . 27499 1 91 . ARG . 27499 1 92 . LEU . 27499 1 93 . ARG . 27499 1 94 . VAL . 27499 1 95 . GLU . 27499 1 96 . PHE . 27499 1 97 . PRO . 27499 1 98 . ARG . 27499 1 99 . SER . 27499 1 100 . GLY . 27499 1 101 . ARG . 27499 1 102 . GLY . 27499 1 103 . THR . 27499 1 104 . GLY . 27499 1 105 . SER . 27499 1 106 . GLY . 27499 1 107 . SER . 27499 1 108 . GLY . 27499 1 109 . PRO . 27499 1 110 . SER . 27499 1 111 . SER . 27499 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27499 1 . GLY 2 2 27499 1 . SER 3 3 27499 1 . SER 4 4 27499 1 . GLY 5 5 27499 1 . SER 6 6 27499 1 . SER 7 7 27499 1 . GLY 8 8 27499 1 . MET 9 9 27499 1 . SER 10 10 27499 1 . GLY 11 11 27499 1 . GLY 12 12 27499 1 . GLY 13 13 27499 1 . VAL 14 14 27499 1 . ILE 15 15 27499 1 . ARG 16 16 27499 1 . GLY 17 17 27499 1 . PRO 18 18 27499 1 . ALA 19 19 27499 1 . GLY 20 20 27499 1 . ASN 21 21 27499 1 . ASN 22 22 27499 1 . ASP 23 23 27499 1 . CYS 24 24 27499 1 . ARG 25 25 27499 1 . ILE 26 26 27499 1 . TYR 27 27 27499 1 . VAL 28 28 27499 1 . GLY 29 29 27499 1 . ASN 30 30 27499 1 . LEU 31 31 27499 1 . PRO 32 32 27499 1 . PRO 33 33 27499 1 . ASP 34 34 27499 1 . ILE 35 35 27499 1 . ARG 36 36 27499 1 . THR 37 37 27499 1 . LYS 38 38 27499 1 . ASP 39 39 27499 1 . ILE 40 40 27499 1 . GLU 41 41 27499 1 . ASP 42 42 27499 1 . VAL 43 43 27499 1 . PHE 44 44 27499 1 . TYR 45 45 27499 1 . LYS 46 46 27499 1 . TYR 47 47 27499 1 . GLY 48 48 27499 1 . ALA 49 49 27499 1 . ILE 50 50 27499 1 . ARG 51 51 27499 1 . ASP 52 52 27499 1 . ILE 53 53 27499 1 . ASP 54 54 27499 1 . LEU 55 55 27499 1 . LYS 56 56 27499 1 . ASN 57 57 27499 1 . ARG 58 58 27499 1 . ARG 59 59 27499 1 . GLY 60 60 27499 1 . GLY 61 61 27499 1 . PRO 62 62 27499 1 . PRO 63 63 27499 1 . PHE 64 64 27499 1 . ALA 65 65 27499 1 . PHE 66 66 27499 1 . VAL 67 67 27499 1 . GLU 68 68 27499 1 . PHE 69 69 27499 1 . GLU 70 70 27499 1 . ASP 71 71 27499 1 . PRO 72 72 27499 1 . ARG 73 73 27499 1 . ASP 74 74 27499 1 . ALA 75 75 27499 1 . GLU 76 76 27499 1 . ASP 77 77 27499 1 . ALA 78 78 27499 1 . VAL 79 79 27499 1 . TYR 80 80 27499 1 . GLY 81 81 27499 1 . ARG 82 82 27499 1 . ASP 83 83 27499 1 . GLY 84 84 27499 1 . TYR 85 85 27499 1 . ASP 86 86 27499 1 . TYR 87 87 27499 1 . ASP 88 88 27499 1 . GLY 89 89 27499 1 . TYR 90 90 27499 1 . ARG 91 91 27499 1 . LEU 92 92 27499 1 . ARG 93 93 27499 1 . VAL 94 94 27499 1 . GLU 95 95 27499 1 . PHE 96 96 27499 1 . PRO 97 97 27499 1 . ARG 98 98 27499 1 . SER 99 99 27499 1 . GLY 100 100 27499 1 . ARG 101 101 27499 1 . GLY 102 102 27499 1 . THR 103 103 27499 1 . GLY 104 104 27499 1 . SER 105 105 27499 1 . GLY 106 106 27499 1 . SER 107 107 27499 1 . GLY 108 108 27499 1 . PRO 109 109 27499 1 . SER 110 110 27499 1 . SER 111 111 27499 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27499 _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 $SFRS1-RRM1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27499 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27499 _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 $SFRS1-RRM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28B . . . 27499 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27499 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SFRS1-RRM1 '[U-99% 13C; U-99% 15N]' . . 1 $SFRS1-RRM1 . . 0.5 . . mM . . . . 27499 1 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 27499 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27499 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27499 1 5 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27499 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 27499 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 27499 1 pH 6.5 . pH 27499 1 pressure 1 . atm 27499 1 temperature 298 . K 27499 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 27499 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 27499 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 27499 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27499 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27499 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27499 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27499 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27499 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27499 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27499 1 4 'APSY CACBCoNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27499 1 5 'APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27499 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27499 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27499 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27499 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27499 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27499 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCACB' . . . 27499 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 28 28 VAL H H 1 8.524 0.000 . 1 . . . . . 28 VAL H . 27499 1 2 . 1 1 28 28 VAL CA C 13 57.250 0.000 . 1 . . . . . 28 VAL CA . 27499 1 3 . 1 1 28 28 VAL CB C 13 30.345 0.000 . 1 . . . . . 28 VAL CB . 27499 1 4 . 1 1 28 28 VAL N N 15 126.488 0.000 . 1 . . . . . 28 VAL N . 27499 1 5 . 1 1 29 29 GLY H H 1 9.584 0.000 . 1 . . . . . 29 GLY H . 27499 1 6 . 1 1 29 29 GLY HA2 H 1 4.788 0.000 . 1 . . . . . 29 GLY HA . 27499 1 7 . 1 1 29 29 GLY HA3 H 1 4.788 0.000 . 1 . . . . . 29 GLY HA . 27499 1 8 . 1 1 29 29 GLY C C 13 171.606 0.000 . 1 . . . . . 29 GLY C . 27499 1 9 . 1 1 29 29 GLY CA C 13 40.281 0.000 . 1 . . . . . 29 GLY CA . 27499 1 10 . 1 1 29 29 GLY N N 15 113.190 0.000 . 1 . . . . . 29 GLY N . 27499 1 11 . 1 1 30 30 ASN H H 1 9.057 0.000 . 1 . . . . . 30 ASN H . 27499 1 12 . 1 1 30 30 ASN CA C 13 51.198 0.000 . 1 . . . . . 30 ASN CA . 27499 1 13 . 1 1 30 30 ASN CB C 13 35.697 0.000 . 1 . . . . . 30 ASN CB . 27499 1 14 . 1 1 30 30 ASN N N 15 115.880 0.000 . 1 . . . . . 30 ASN N . 27499 1 15 . 1 1 31 31 LEU H H 1 6.653 0.000 . 1 . . . . . 31 LEU H . 27499 1 16 . 1 1 31 31 LEU CA C 13 50.066 0.000 . 1 . . . . . 31 LEU CA . 27499 1 17 . 1 1 31 31 LEU CB C 13 39.566 0.000 . 1 . . . . . 31 LEU CB . 27499 1 18 . 1 1 31 31 LEU N N 15 111.810 0.000 . 1 . . . . . 31 LEU N . 27499 1 19 . 1 1 39 39 ASP H H 1 7.081 0.000 . 1 . . . . . 39 ASP H . 27499 1 20 . 1 1 39 39 ASP CA C 13 54.753 0.000 . 1 . . . . . 39 ASP CA . 27499 1 21 . 1 1 39 39 ASP CB C 13 38.728 0.000 . 1 . . . . . 39 ASP CB . 27499 1 22 . 1 1 39 39 ASP N N 15 116.962 0.000 . 1 . . . . . 39 ASP N . 27499 1 23 . 1 1 40 40 ILE H H 1 7.313 0.000 . 1 . . . . . 40 ILE H . 27499 1 24 . 1 1 40 40 ILE CA C 13 62.392 0.000 . 1 . . . . . 40 ILE CA . 27499 1 25 . 1 1 40 40 ILE CB C 13 34.021 0.000 . 1 . . . . . 40 ILE CB . 27499 1 26 . 1 1 40 40 ILE N N 15 118.189 0.000 . 1 . . . . . 40 ILE N . 27499 1 27 . 1 1 41 41 GLU H H 1 8.180 0.000 . 1 . . . . . 41 GLU H . 27499 1 28 . 1 1 41 41 GLU CA C 13 58.087 0.000 . 1 . . . . . 41 GLU CA . 27499 1 29 . 1 1 41 41 GLU CB C 13 26.928 0.000 . 1 . . . . . 41 GLU CB . 27499 1 30 . 1 1 41 41 GLU N N 15 121.112 0.000 . 1 . . . . . 41 GLU N . 27499 1 31 . 1 1 42 42 ASP H H 1 8.016 0.000 . 1 . . . . . 42 ASP H . 27499 1 32 . 1 1 42 42 ASP CA C 13 55.214 0.000 . 1 . . . . . 42 ASP CA . 27499 1 33 . 1 1 42 42 ASP CB C 13 37.696 0.000 . 1 . . . . . 42 ASP CB . 27499 1 34 . 1 1 42 42 ASP N N 15 117.287 0.000 . 1 . . . . . 42 ASP N . 27499 1 35 . 1 1 43 43 VAL H H 1 7.734 0.000 . 1 . . . . . 43 VAL H . 27499 1 36 . 1 1 43 43 VAL CA C 13 62.633 0.000 . 1 . . . . . 43 VAL CA . 27499 1 37 . 1 1 43 43 VAL CB C 13 29.056 0.000 . 1 . . . . . 43 VAL CB . 27499 1 38 . 1 1 43 43 VAL N N 15 118.225 0.000 . 1 . . . . . 43 VAL N . 27499 1 39 . 1 1 44 44 PHE H H 1 7.805 0.000 . 1 . . . . . 44 PHE H . 27499 1 40 . 1 1 44 44 PHE CA C 13 57.998 0.000 . 1 . . . . . 44 PHE CA . 27499 1 41 . 1 1 44 44 PHE CB C 13 38.405 0.000 . 1 . . . . . 44 PHE CB . 27499 1 42 . 1 1 44 44 PHE N N 15 116.204 0.000 . 1 . . . . . 44 PHE N . 27499 1 43 . 1 1 45 45 TYR H H 1 8.721 0.000 . 1 . . . . . 45 TYR H . 27499 1 44 . 1 1 45 45 TYR CA C 13 58.833 0.000 . 1 . . . . . 45 TYR CA . 27499 1 45 . 1 1 45 45 TYR CB C 13 34.601 0.000 . 1 . . . . . 45 TYR CB . 27499 1 46 . 1 1 45 45 TYR N N 15 121.508 0.000 . 1 . . . . . 45 TYR N . 27499 1 47 . 1 1 46 46 LYS H H 1 7.701 0.000 . 1 . . . . . 46 LYS H . 27499 1 48 . 1 1 46 46 LYS CA C 13 54.650 0.000 . 1 . . . . . 46 LYS CA . 27499 1 49 . 1 1 46 46 LYS CB C 13 28.024 0.000 . 1 . . . . . 46 LYS CB . 27499 1 50 . 1 1 46 46 LYS N N 15 115.771 0.000 . 1 . . . . . 46 LYS N . 27499 1 51 . 1 1 47 47 TYR H H 1 7.693 0.000 . 1 . . . . . 47 TYR H . 27499 1 52 . 1 1 47 47 TYR CA C 13 57.792 0.000 . 1 . . . . . 47 TYR CA . 27499 1 53 . 1 1 47 47 TYR CB C 13 35.762 0.000 . 1 . . . . . 47 TYR CB . 27499 1 54 . 1 1 47 47 TYR N N 15 117.648 0.000 . 1 . . . . . 47 TYR N . 27499 1 55 . 1 1 48 48 GLY H H 1 7.256 0.000 . 1 . . . . . 48 GLY H . 27499 1 56 . 1 1 48 48 GLY CA C 13 41.517 0.000 . 1 . . . . . 48 GLY CA . 27499 1 57 . 1 1 48 48 GLY N N 15 103.503 0.000 . 1 . . . . . 48 GLY N . 27499 1 58 . 1 1 49 49 ALA H H 1 8.182 0.000 . 1 . . . . . 49 ALA H . 27499 1 59 . 1 1 49 49 ALA CA C 13 50.820 0.000 . 1 . . . . . 49 ALA CA . 27499 1 60 . 1 1 49 49 ALA CB C 13 15.966 0.000 . 1 . . . . . 49 ALA CB . 27499 1 61 . 1 1 49 49 ALA N N 15 119.776 0.000 . 1 . . . . . 49 ALA N . 27499 1 62 . 1 1 50 50 ILE H H 1 8.458 0.000 . 1 . . . . . 50 ILE H . 27499 1 63 . 1 1 50 50 ILE CA C 13 58.737 0.000 . 1 . . . . . 50 ILE CA . 27499 1 64 . 1 1 50 50 ILE CB C 13 37.594 0.000 . 1 . . . . . 50 ILE CB . 27499 1 65 . 1 1 50 50 ILE N N 15 123.962 0.000 . 1 . . . . . 50 ILE N . 27499 1 66 . 1 1 51 51 ARG H H 1 9.280 0.000 . 1 . . . . . 51 ARG H . 27499 1 67 . 1 1 51 51 ARG HA H 1 4.865 0.000 . 1 . . . . . 51 ARG HA . 27499 1 68 . 1 1 51 51 ARG C C 13 170.956 0.000 . 1 . . . . . 51 ARG C . 27499 1 69 . 1 1 51 51 ARG CA C 13 54.330 0.000 . 1 . . . . . 51 ARG CA . 27499 1 70 . 1 1 51 51 ARG CB C 13 28.669 0.000 . 1 . . . . . 51 ARG CB . 27499 1 71 . 1 1 51 51 ARG N N 15 128.117 0.000 . 1 . . . . . 51 ARG N . 27499 1 72 . 1 1 52 52 ASP H H 1 7.546 0.000 . 1 . . . . . 52 ASP H . 27499 1 73 . 1 1 52 52 ASP CA C 13 51.869 0.000 . 1 . . . . . 52 ASP CA . 27499 1 74 . 1 1 52 52 ASP CB C 13 42.274 0.000 . 1 . . . . . 52 ASP CB . 27499 1 75 . 1 1 52 52 ASP N N 15 116.168 0.000 . 1 . . . . . 52 ASP N . 27499 1 76 . 1 1 53 53 ILE H H 1 7.945 0.000 . 1 . . . . . 53 ILE H . 27499 1 77 . 1 1 53 53 ILE CA C 13 58.719 0.000 . 1 . . . . . 53 ILE CA . 27499 1 78 . 1 1 53 53 ILE CB C 13 38.276 0.000 . 1 . . . . . 53 ILE CB . 27499 1 79 . 1 1 53 53 ILE N N 15 122.302 0.000 . 1 . . . . . 53 ILE N . 27499 1 80 . 1 1 54 54 ASP H H 1 8.991 0.000 . 1 . . . . . 54 ASP H . 27499 1 81 . 1 1 54 54 ASP CA C 13 49.552 0.000 . 1 . . . . . 54 ASP CA . 27499 1 82 . 1 1 54 54 ASP CB C 13 39.824 0.000 . 1 . . . . . 54 ASP CB . 27499 1 83 . 1 1 54 54 ASP N N 15 128.880 0.000 . 1 . . . . . 54 ASP N . 27499 1 84 . 1 1 55 55 LEU H H 1 8.297 0.000 . 1 . . . . . 55 LEU H . 27499 1 85 . 1 1 55 55 LEU CA C 13 52.048 0.000 . 1 . . . . . 55 LEU CA . 27499 1 86 . 1 1 55 55 LEU CB C 13 40.920 0.000 . 1 . . . . . 55 LEU CB . 27499 1 87 . 1 1 55 55 LEU N N 15 126.271 0.000 . 1 . . . . . 55 LEU N . 27499 1 88 . 1 1 56 56 LYS H H 1 8.971 0.000 . 1 . . . . . 56 LYS H . 27499 1 89 . 1 1 56 56 LYS C C 13 170.838 0.000 . 1 . . . . . 56 LYS C . 27499 1 90 . 1 1 56 56 LYS CA C 13 51.560 0.000 . 1 . . . . . 56 LYS CA . 27499 1 91 . 1 1 56 56 LYS CB C 13 38.566 0.000 . 1 . . . . . 56 LYS CB . 27499 1 92 . 1 1 56 56 LYS N N 15 128.827 0.000 . 1 . . . . . 56 LYS N . 27499 1 93 . 1 1 57 57 ASN H H 1 8.341 0.000 . 1 . . . . . 57 ASN H . 27499 1 94 . 1 1 57 57 ASN CA C 13 57.039 0.000 . 1 . . . . . 57 ASN CA . 27499 1 95 . 1 1 57 57 ASN CB C 13 26.428 0.000 . 1 . . . . . 57 ASN CB . 27499 1 96 . 1 1 57 57 ASN N N 15 115.338 0.000 . 1 . . . . . 57 ASN N . 27499 1 97 . 1 1 58 58 ARG H H 1 7.759 0.000 . 1 . . . . . 58 ARG H . 27499 1 98 . 1 1 58 58 ARG CA C 13 52.641 0.000 . 1 . . . . . 58 ARG CA . 27499 1 99 . 1 1 58 58 ARG CB C 13 29.894 0.000 . 1 . . . . . 58 ARG CB . 27499 1 100 . 1 1 58 58 ARG N N 15 121.797 0.000 . 1 . . . . . 58 ARG N . 27499 1 101 . 1 1 59 59 ARG H H 1 9.038 0.000 . 1 . . . . . 59 ARG H . 27499 1 102 . 1 1 59 59 ARG CA C 13 56.666 0.000 . 1 . . . . . 59 ARG CA . 27499 1 103 . 1 1 59 59 ARG CB C 13 37.374 0.000 . 1 . . . . . 59 ARG CB . 27499 1 104 . 1 1 59 59 ARG N N 15 116.746 0.000 . 1 . . . . . 59 ARG N . 27499 1 105 . 1 1 64 64 PHE H H 1 7.709 0.000 . 1 . . . . . 64 PHE H . 27499 1 106 . 1 1 64 64 PHE CA C 13 52.281 0.000 . 1 . . . . . 64 PHE CA . 27499 1 107 . 1 1 64 64 PHE CB C 13 38.599 0.000 . 1 . . . . . 64 PHE CB . 27499 1 108 . 1 1 64 64 PHE N N 15 114.291 0.000 . 1 . . . . . 64 PHE N . 27499 1 109 . 1 1 65 65 ALA H H 1 9.243 0.000 . 1 . . . . . 65 ALA H . 27499 1 110 . 1 1 65 65 ALA CA C 13 46.845 0.000 . 1 . . . . . 65 ALA CA . 27499 1 111 . 1 1 65 65 ALA CB C 13 20.802 0.000 . 1 . . . . . 65 ALA CB . 27499 1 112 . 1 1 65 65 ALA N N 15 120.101 0.000 . 1 . . . . . 65 ALA N . 27499 1 113 . 1 1 66 66 PHE H H 1 8.360 0.000 . 1 . . . . . 66 PHE H . 27499 1 114 . 1 1 66 66 PHE CA C 13 53.389 0.000 . 1 . . . . . 66 PHE CA . 27499 1 115 . 1 1 66 66 PHE CB C 13 39.373 0.000 . 1 . . . . . 66 PHE CB . 27499 1 116 . 1 1 66 66 PHE N N 15 115.591 0.000 . 1 . . . . . 66 PHE N . 27499 1 117 . 1 1 67 67 VAL H H 1 8.753 0.000 . 1 . . . . . 67 VAL H . 27499 1 118 . 1 1 67 67 VAL CA C 13 58.312 0.000 . 1 . . . . . 67 VAL CA . 27499 1 119 . 1 1 67 67 VAL CB C 13 30.410 0.000 . 1 . . . . . 67 VAL CB . 27499 1 120 . 1 1 67 67 VAL N N 15 124.179 0.000 . 1 . . . . . 67 VAL N . 27499 1 121 . 1 1 68 68 GLU H H 1 8.879 0.000 . 1 . . . . . 68 GLU H . 27499 1 122 . 1 1 68 68 GLU CA C 13 51.782 0.000 . 1 . . . . . 68 GLU CA . 27499 1 123 . 1 1 68 68 GLU CB C 13 30.216 0.000 . 1 . . . . . 68 GLU CB . 27499 1 124 . 1 1 68 68 GLU N N 15 127.462 0.000 . 1 . . . . . 68 GLU N . 27499 1 125 . 1 1 69 69 PHE H H 1 8.849 0.000 . 1 . . . . . 69 PHE H . 27499 1 126 . 1 1 69 69 PHE CA C 13 56.082 0.000 . 1 . . . . . 69 PHE CA . 27499 1 127 . 1 1 69 69 PHE CB C 13 38.083 0.000 . 1 . . . . . 69 PHE CB . 27499 1 128 . 1 1 69 69 PHE N N 15 127.210 0.000 . 1 . . . . . 69 PHE N . 27499 1 129 . 1 1 70 70 GLU H H 1 9.079 0.000 . 1 . . . . . 70 GLU H . 27499 1 130 . 1 1 70 70 GLU CA C 13 53.853 0.000 . 1 . . . . . 70 GLU CA . 27499 1 131 . 1 1 70 70 GLU CB C 13 36.729 0.000 . 1 . . . . . 70 GLU CB . 27499 1 132 . 1 1 70 70 GLU N N 15 123.746 0.000 . 1 . . . . . 70 GLU N . 27499 1 133 . 1 1 73 73 ARG H H 1 8.917 0.000 . 1 . . . . . 73 ARG H . 27499 1 134 . 1 1 73 73 ARG CA C 13 55.976 0.000 . 1 . . . . . 73 ARG CA . 27499 1 135 . 1 1 73 73 ARG CB C 13 27.315 0.000 . 1 . . . . . 73 ARG CB . 27499 1 136 . 1 1 73 73 ARG N N 15 120.823 0.000 . 1 . . . . . 73 ARG N . 27499 1 137 . 1 1 74 74 ASP H H 1 7.207 0.000 . 1 . . . . . 74 ASP H . 27499 1 138 . 1 1 74 74 ASP CA C 13 54.238 0.000 . 1 . . . . . 74 ASP CA . 27499 1 139 . 1 1 74 74 ASP CB C 13 36.922 0.000 . 1 . . . . . 74 ASP CB . 27499 1 140 . 1 1 74 74 ASP N N 15 121.364 0.000 . 1 . . . . . 74 ASP N . 27499 1 141 . 1 1 75 75 ALA H H 1 6.822 0.000 . 1 . . . . . 75 ALA H . 27499 1 142 . 1 1 75 75 ALA CA C 13 51.972 0.000 . 1 . . . . . 75 ALA CA . 27499 1 143 . 1 1 75 75 ALA CB C 13 15.644 0.000 . 1 . . . . . 75 ALA CB . 27499 1 144 . 1 1 75 75 ALA N N 15 119.343 0.000 . 1 . . . . . 75 ALA N . 27499 1 145 . 1 1 76 76 GLU H H 1 7.658 0.000 . 1 . . . . . 76 GLU H . 27499 1 146 . 1 1 76 76 GLU CA C 13 57.174 0.000 . 1 . . . . . 76 GLU CA . 27499 1 147 . 1 1 76 76 GLU CB C 13 26.799 0.000 . 1 . . . . . 76 GLU CB . 27499 1 148 . 1 1 76 76 GLU N N 15 116.204 0.000 . 1 . . . . . 76 GLU N . 27499 1 149 . 1 1 77 77 ASP H H 1 7.874 0.000 . 1 . . . . . 77 ASP H . 27499 1 150 . 1 1 77 77 ASP CA C 13 54.599 0.000 . 1 . . . . . 77 ASP CA . 27499 1 151 . 1 1 77 77 ASP CB C 13 37.567 0.000 . 1 . . . . . 77 ASP CB . 27499 1 152 . 1 1 77 77 ASP N N 15 118.874 0.000 . 1 . . . . . 77 ASP N . 27499 1 153 . 1 1 78 78 ALA H H 1 7.767 0.000 . 1 . . . . . 78 ALA H . 27499 1 154 . 1 1 78 78 ALA CA C 13 51.714 0.000 . 1 . . . . . 78 ALA CA . 27499 1 155 . 1 1 78 78 ALA CB C 13 16.740 0.000 . 1 . . . . . 78 ALA CB . 27499 1 156 . 1 1 78 78 ALA N N 15 123.709 0.000 . 1 . . . . . 78 ALA N . 27499 1 157 . 1 1 79 79 VAL H H 1 7.562 0.000 . 1 . . . . . 79 VAL H . 27499 1 158 . 1 1 79 79 VAL CA C 13 63.766 0.000 . 1 . . . . . 79 VAL CA . 27499 1 159 . 1 1 79 79 VAL CB C 13 28.217 0.000 . 1 . . . . . 79 VAL CB . 27499 1 160 . 1 1 79 79 VAL N N 15 118.838 0.000 . 1 . . . . . 79 VAL N . 27499 1 161 . 1 1 80 80 TYR H H 1 7.606 0.000 . 1 . . . . . 80 TYR H . 27499 1 162 . 1 1 80 80 TYR CA C 13 57.586 0.000 . 1 . . . . . 80 TYR CA . 27499 1 163 . 1 1 80 80 TYR CB C 13 34.988 0.000 . 1 . . . . . 80 TYR CB . 27499 1 164 . 1 1 80 80 TYR N N 15 116.060 0.000 . 1 . . . . . 80 TYR N . 27499 1 165 . 1 1 81 81 GLY H H 1 8.502 0.000 . 1 . . . . . 81 GLY H . 27499 1 166 . 1 1 81 81 GLY CA C 13 43.577 0.000 . 1 . . . . . 81 GLY CA . 27499 1 167 . 1 1 81 81 GLY N N 15 104.802 0.000 . 1 . . . . . 81 GLY N . 27499 1 168 . 1 1 82 82 ARG H H 1 8.004 0.000 . 1 . . . . . 82 ARG H . 27499 1 169 . 1 1 82 82 ARG CA C 13 51.145 0.000 . 1 . . . . . 82 ARG CA . 27499 1 170 . 1 1 82 82 ARG CB C 13 29.507 0.000 . 1 . . . . . 82 ARG CB . 27499 1 171 . 1 1 82 82 ARG N N 15 115.939 0.000 . 1 . . . . . 82 ARG N . 27499 1 172 . 1 1 83 83 ASP H H 1 7.942 0.000 . 1 . . . . . 83 ASP H . 27499 1 173 . 1 1 83 83 ASP CA C 13 55.783 0.000 . 1 . . . . . 83 ASP CA . 27499 1 174 . 1 1 83 83 ASP CB C 13 38.288 0.000 . 1 . . . . . 83 ASP CB . 27499 1 175 . 1 1 83 83 ASP N N 15 120.282 0.000 . 1 . . . . . 83 ASP N . 27499 1 176 . 1 1 84 84 GLY H H 1 9.051 0.000 . 1 . . . . . 84 GLY H . 27499 1 177 . 1 1 84 84 GLY CA C 13 43.022 0.000 . 1 . . . . . 84 GLY CA . 27499 1 178 . 1 1 84 84 GLY N N 15 117.684 0.000 . 1 . . . . . 84 GLY N . 27499 1 179 . 1 1 85 85 TYR H H 1 8.122 0.000 . 1 . . . . . 85 TYR H . 27499 1 180 . 1 1 85 85 TYR CA C 13 55.890 0.000 . 1 . . . . . 85 TYR CA . 27499 1 181 . 1 1 85 85 TYR CB C 13 37.503 0.000 . 1 . . . . . 85 TYR CB . 27499 1 182 . 1 1 85 85 TYR N N 15 122.844 0.000 . 1 . . . . . 85 TYR N . 27499 1 183 . 1 1 86 86 ASP H H 1 7.756 0.000 . 1 . . . . . 86 ASP H . 27499 1 184 . 1 1 86 86 ASP CA C 13 50.993 0.000 . 1 . . . . . 86 ASP CA . 27499 1 185 . 1 1 86 86 ASP CB C 13 37.761 0.000 . 1 . . . . . 86 ASP CB . 27499 1 186 . 1 1 86 86 ASP N N 15 126.632 0.000 . 1 . . . . . 86 ASP N . 27499 1 187 . 1 1 87 87 TYR H H 1 9.133 0.000 . 1 . . . . . 87 TYR H . 27499 1 188 . 1 1 87 87 TYR CA C 13 53.311 0.000 . 1 . . . . . 87 TYR CA . 27499 1 189 . 1 1 87 87 TYR CB C 13 37.180 0.000 . 1 . . . . . 87 TYR CB . 27499 1 190 . 1 1 87 87 TYR N N 15 130.047 0.000 . 1 . . . . . 87 TYR N . 27499 1 191 . 1 1 88 88 ASP H H 1 8.387 0.000 . 1 . . . . . 88 ASP H . 27499 1 192 . 1 1 88 88 ASP CA C 13 52.685 0.000 . 1 . . . . . 88 ASP CA . 27499 1 193 . 1 1 88 88 ASP CB C 13 37.245 0.000 . 1 . . . . . 88 ASP CB . 27499 1 194 . 1 1 88 88 ASP N N 15 124.648 0.000 . 1 . . . . . 88 ASP N . 27499 1 195 . 1 1 89 89 GLY H H 1 8.357 0.000 . 1 . . . . . 89 GLY H . 27499 1 196 . 1 1 89 89 GLY CA C 13 42.599 0.000 . 1 . . . . . 89 GLY CA . 27499 1 197 . 1 1 89 89 GLY N N 15 104.297 0.000 . 1 . . . . . 89 GLY N . 27499 1 198 . 1 1 90 90 TYR H H 1 8.081 0.000 . 1 . . . . . 90 TYR H . 27499 1 199 . 1 1 90 90 TYR CA C 13 55.113 0.000 . 1 . . . . . 90 TYR CA . 27499 1 200 . 1 1 90 90 TYR CB C 13 34.859 0.000 . 1 . . . . . 90 TYR CB . 27499 1 201 . 1 1 90 90 TYR N N 15 123.493 0.000 . 1 . . . . . 90 TYR N . 27499 1 202 . 1 1 91 91 ARG H H 1 8.234 0.000 . 1 . . . . . 91 ARG H . 27499 1 203 . 1 1 91 91 ARG CA C 13 52.443 0.000 . 1 . . . . . 91 ARG CA . 27499 1 204 . 1 1 91 91 ARG CB C 13 26.347 0.000 . 1 . . . . . 91 ARG CB . 27499 1 205 . 1 1 91 91 ARG N N 15 122.735 0.000 . 1 . . . . . 91 ARG N . 27499 1 206 . 1 1 92 92 LEU H H 1 9.480 0.000 . 1 . . . . . 92 LEU H . 27499 1 207 . 1 1 92 92 LEU CA C 13 53.466 0.000 . 1 . . . . . 92 LEU CA . 27499 1 208 . 1 1 92 92 LEU CB C 13 39.695 0.000 . 1 . . . . . 92 LEU CB . 27499 1 209 . 1 1 92 92 LEU N N 15 129.230 0.000 . 1 . . . . . 92 LEU N . 27499 1 210 . 1 1 93 93 ARG H H 1 8.048 0.000 . 1 . . . . . 93 ARG H . 27499 1 211 . 1 1 93 93 ARG CA C 13 51.294 0.000 . 1 . . . . . 93 ARG CA . 27499 1 212 . 1 1 93 93 ARG CB C 13 28.862 0.000 . 1 . . . . . 93 ARG CB . 27499 1 213 . 1 1 93 93 ARG N N 15 123.962 0.000 . 1 . . . . . 93 ARG N . 27499 1 214 . 1 1 94 94 VAL H H 1 9.431 0.000 . 1 . . . . . 94 VAL H . 27499 1 215 . 1 1 94 94 VAL CA C 13 57.994 0.000 . 1 . . . . . 94 VAL CA . 27499 1 216 . 1 1 94 94 VAL CB C 13 30.410 0.000 . 1 . . . . . 94 VAL CB . 27499 1 217 . 1 1 94 94 VAL N N 15 127.498 0.000 . 1 . . . . . 94 VAL N . 27499 1 218 . 1 1 95 95 GLU H H 1 8.964 0.000 . 1 . . . . . 95 GLU H . 27499 1 219 . 1 1 95 95 GLU CA C 13 51.304 0.000 . 1 . . . . . 95 GLU CA . 27499 1 220 . 1 1 95 95 GLU CB C 13 30.474 0.000 . 1 . . . . . 95 GLU CB . 27499 1 221 . 1 1 95 95 GLU N N 15 120.823 0.000 . 1 . . . . . 95 GLU N . 27499 1 222 . 1 1 96 96 PHE H H 1 8.723 0.000 . 1 . . . . . 96 PHE H . 27499 1 223 . 1 1 96 96 PHE CA C 13 54.848 0.000 . 1 . . . . . 96 PHE CA . 27499 1 224 . 1 1 96 96 PHE CB C 13 35.310 0.000 . 1 . . . . . 96 PHE CB . 27499 1 225 . 1 1 96 96 PHE N N 15 120.137 0.000 . 1 . . . . . 96 PHE N . 27499 1 stop_ save_