data_26575 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26575 _Entry.Title ; Gli3_1_90 assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-08 _Entry.Accession_date 2015-05-08 _Entry.Last_release_date 2016-01-05 _Entry.Original_release_date 2016-01-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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 'N-terminal 90 residues of Gli3' _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 Wendy Pierce . . . . 26575 2 Christy Grace . . . . 26575 3 Tanja Mittag . . . . 26575 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26575 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 26575 '15N chemical shifts' 86 26575 '1H chemical shifts' 86 26575 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 . . 2016-07-12 2015-05-08 update BMRB 'update entry citation' 26575 1 . . 2016-01-05 2015-05-08 original author 'original release' 26575 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26575 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26475525 _Citation.Full_citation . _Citation.Title ; Multiple weak linear motifs enhance recruitment and processivity in SPOP-mediated substrate ubiquitination ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 428 _Citation.Journal_issue 6 _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 1256 _Citation.Page_last 1271 _Citation.Year 2016 _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 Wendy Pierce . K. . . 26575 1 2 Christy Grace . R. . . 26575 1 3 Jihun Lee . . . . 26575 1 4 Amanda Nourse . . . . 26575 1 5 Melissa Marzahn . M. . . 26575 1 6 Edmond Watson . R. . . 26575 1 7 Anthony High . . . . 26575 1 8 Junmin Peng . . . . 26575 1 9 Brenda Schulman . . . . 26575 1 10 Tanja Mittag . . . . 26575 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26575 _Assembly.ID 1 _Assembly.Name Gli3_1_90 _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 Gli3_1_90 1 $Gli3_1_90 A . yes native no no . . . 26575 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gli3_1_90 _Entity.Sf_category entity _Entity.Sf_framecode Gli3_1_90 _Entity.Entry_ID 26575 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Gli3_1_90 _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 ; MEAQSHSSTTTEKKKVENSI VKCSTRTDVSEKAVASSTTS NEDESPGQTYHRERRNAITM QPQNVQGLSKVSEEPSTSSD ERASLIKKEI ; _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 90 _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 1 MET . 26575 1 2 2 GLU . 26575 1 3 3 ALA . 26575 1 4 4 GLN . 26575 1 5 5 SER . 26575 1 6 6 HIS . 26575 1 7 7 SER . 26575 1 8 8 SER . 26575 1 9 9 THR . 26575 1 10 10 THR . 26575 1 11 11 THR . 26575 1 12 12 GLU . 26575 1 13 13 LYS . 26575 1 14 14 LYS . 26575 1 15 15 LYS . 26575 1 16 16 VAL . 26575 1 17 17 GLU . 26575 1 18 18 ASN . 26575 1 19 19 SER . 26575 1 20 20 ILE . 26575 1 21 21 VAL . 26575 1 22 22 LYS . 26575 1 23 23 CYS . 26575 1 24 24 SER . 26575 1 25 25 THR . 26575 1 26 26 ARG . 26575 1 27 27 THR . 26575 1 28 28 ASP . 26575 1 29 29 VAL . 26575 1 30 30 SER . 26575 1 31 31 GLU . 26575 1 32 32 LYS . 26575 1 33 33 ALA . 26575 1 34 34 VAL . 26575 1 35 35 ALA . 26575 1 36 36 SER . 26575 1 37 37 SER . 26575 1 38 38 THR . 26575 1 39 39 THR . 26575 1 40 40 SER . 26575 1 41 41 ASN . 26575 1 42 42 GLU . 26575 1 43 43 ASP . 26575 1 44 44 GLU . 26575 1 45 45 SER . 26575 1 46 46 PRO . 26575 1 47 47 GLY . 26575 1 48 48 GLN . 26575 1 49 49 THR . 26575 1 50 50 TYR . 26575 1 51 51 HIS . 26575 1 52 52 ARG . 26575 1 53 53 GLU . 26575 1 54 54 ARG . 26575 1 55 55 ARG . 26575 1 56 56 ASN . 26575 1 57 57 ALA . 26575 1 58 58 ILE . 26575 1 59 59 THR . 26575 1 60 60 MET . 26575 1 61 61 GLN . 26575 1 62 62 PRO . 26575 1 63 63 GLN . 26575 1 64 64 ASN . 26575 1 65 65 VAL . 26575 1 66 66 GLN . 26575 1 67 67 GLY . 26575 1 68 68 LEU . 26575 1 69 69 SER . 26575 1 70 70 LYS . 26575 1 71 71 VAL . 26575 1 72 72 SER . 26575 1 73 73 GLU . 26575 1 74 74 GLU . 26575 1 75 75 PRO . 26575 1 76 76 SER . 26575 1 77 77 THR . 26575 1 78 78 SER . 26575 1 79 79 SER . 26575 1 80 80 ASP . 26575 1 81 81 GLU . 26575 1 82 82 ARG . 26575 1 83 83 ALA . 26575 1 84 84 SER . 26575 1 85 85 LEU . 26575 1 86 86 ILE . 26575 1 87 87 LYS . 26575 1 88 88 LYS . 26575 1 89 89 GLU . 26575 1 90 90 ILE . 26575 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 26575 1 . GLU 2 2 26575 1 . ALA 3 3 26575 1 . GLN 4 4 26575 1 . SER 5 5 26575 1 . HIS 6 6 26575 1 . SER 7 7 26575 1 . SER 8 8 26575 1 . THR 9 9 26575 1 . THR 10 10 26575 1 . THR 11 11 26575 1 . GLU 12 12 26575 1 . LYS 13 13 26575 1 . LYS 14 14 26575 1 . LYS 15 15 26575 1 . VAL 16 16 26575 1 . GLU 17 17 26575 1 . ASN 18 18 26575 1 . SER 19 19 26575 1 . ILE 20 20 26575 1 . VAL 21 21 26575 1 . LYS 22 22 26575 1 . CYS 23 23 26575 1 . SER 24 24 26575 1 . THR 25 25 26575 1 . ARG 26 26 26575 1 . THR 27 27 26575 1 . ASP 28 28 26575 1 . VAL 29 29 26575 1 . SER 30 30 26575 1 . GLU 31 31 26575 1 . LYS 32 32 26575 1 . ALA 33 33 26575 1 . VAL 34 34 26575 1 . ALA 35 35 26575 1 . SER 36 36 26575 1 . SER 37 37 26575 1 . THR 38 38 26575 1 . THR 39 39 26575 1 . SER 40 40 26575 1 . ASN 41 41 26575 1 . GLU 42 42 26575 1 . ASP 43 43 26575 1 . GLU 44 44 26575 1 . SER 45 45 26575 1 . PRO 46 46 26575 1 . GLY 47 47 26575 1 . GLN 48 48 26575 1 . THR 49 49 26575 1 . TYR 50 50 26575 1 . HIS 51 51 26575 1 . ARG 52 52 26575 1 . GLU 53 53 26575 1 . ARG 54 54 26575 1 . ARG 55 55 26575 1 . ASN 56 56 26575 1 . ALA 57 57 26575 1 . ILE 58 58 26575 1 . THR 59 59 26575 1 . MET 60 60 26575 1 . GLN 61 61 26575 1 . PRO 62 62 26575 1 . GLN 63 63 26575 1 . ASN 64 64 26575 1 . VAL 65 65 26575 1 . GLN 66 66 26575 1 . GLY 67 67 26575 1 . LEU 68 68 26575 1 . SER 69 69 26575 1 . LYS 70 70 26575 1 . VAL 71 71 26575 1 . SER 72 72 26575 1 . GLU 73 73 26575 1 . GLU 74 74 26575 1 . PRO 75 75 26575 1 . SER 76 76 26575 1 . THR 77 77 26575 1 . SER 78 78 26575 1 . SER 79 79 26575 1 . ASP 80 80 26575 1 . GLU 81 81 26575 1 . ARG 82 82 26575 1 . ALA 83 83 26575 1 . SER 84 84 26575 1 . LEU 85 85 26575 1 . ILE 86 86 26575 1 . LYS 87 87 26575 1 . LYS 88 88 26575 1 . GLU 89 89 26575 1 . ILE 90 90 26575 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 26575 _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 $Gli3_1_90 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . Gli3 . 26575 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 26575 _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 $Gli3_1_90 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 26575 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26575 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Gli3_1_90 '[U-100% 13C; U-100% 15N]' . . 1 $Gli3_1_90 . . 1.5 . . mM . . . . 26575 1 2 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 26575 1 3 'sodium chloride' 'natural abundance' . . . . . . 50.0 . . mM . . . . 26575 1 4 'potassium phosphate' 'natural abundance' . . . . . . 1.76 . . mM . . . . 26575 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10.0 . . mM . . . . 26575 1 6 DTT 'natural abundance' . . . . . . 5.0 . . mM . . . . 26575 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26575 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26575 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 26575 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 26575 1 pH 6.0 . pH 26575 1 pressure 1 . atm 26575 1 temperature 278 . K 26575 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26575 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26575 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 26575 1 . processing 26575 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26575 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26575 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 26575 2 . 'peak picking' 26575 2 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 26575 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26575 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 800 . . . 26575 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 26575 _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 . . . . . . . . . . . . . . . . 26575 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26575 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26575 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26575 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26575 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 26575 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 26575 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26575 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26575 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 26575 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26575 1 2 '3D HNCACB' . . . 26575 1 3 '3D CBCA(CO)NH' . . . 26575 1 4 '3D HNCO' . . . 26575 1 5 '3D HN(CA)CO' . . . 26575 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 $TOPSPIN . . 26575 1 2 $CARA . . 26575 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 2 2 GLU H H 1 8.299 0.020 . 1 . . . . . 2 GLU H . 26575 1 2 . 1 1 2 2 GLU C C 13 176.320 0.3 . 1 . . . . . 2 GLU C . 26575 1 3 . 1 1 2 2 GLU CA C 13 56.452 0.3 . 1 . . . . . 2 GLU CA . 26575 1 4 . 1 1 2 2 GLU CB C 13 30.763 0.3 . 1 . . . . . 2 GLU CB . 26575 1 5 . 1 1 2 2 GLU N N 15 124.279 0.3 . 1 . . . . . 2 GLU N . 26575 1 6 . 1 1 3 3 ALA H H 1 8.098 0.020 . 1 . . . . . 3 ALA H . 26575 1 7 . 1 1 3 3 ALA C C 13 178.208 0.3 . 1 . . . . . 3 ALA C . 26575 1 8 . 1 1 3 3 ALA CA C 13 52.659 0.3 . 1 . . . . . 3 ALA CA . 26575 1 9 . 1 1 3 3 ALA CB C 13 19.280 0.3 . 1 . . . . . 3 ALA CB . 26575 1 10 . 1 1 3 3 ALA N N 15 125.966 0.3 . 1 . . . . . 3 ALA N . 26575 1 11 . 1 1 4 4 GLN H H 1 7.967 0.020 . 1 . . . . . 4 GLN H . 26575 1 12 . 1 1 4 4 GLN C C 13 176.518 0.3 . 1 . . . . . 4 GLN C . 26575 1 13 . 1 1 4 4 GLN CA C 13 55.921 0.3 . 1 . . . . . 4 GLN CA . 26575 1 14 . 1 1 4 4 GLN CB C 13 29.678 0.3 . 1 . . . . . 4 GLN CB . 26575 1 15 . 1 1 4 4 GLN N N 15 119.854 0.3 . 1 . . . . . 4 GLN N . 26575 1 16 . 1 1 5 5 SER H H 1 7.887 0.020 . 1 . . . . . 5 SER H . 26575 1 17 . 1 1 5 5 SER C C 13 174.880 0.3 . 1 . . . . . 5 SER C . 26575 1 18 . 1 1 5 5 SER CA C 13 58.678 0.3 . 1 . . . . . 5 SER CA . 26575 1 19 . 1 1 5 5 SER CB C 13 64.129 0.3 . 1 . . . . . 5 SER CB . 26575 1 20 . 1 1 5 5 SER N N 15 117.122 0.3 . 1 . . . . . 5 SER N . 26575 1 21 . 1 1 6 6 HIS H H 1 8.053 0.020 . 1 . . . . . 6 HIS H . 26575 1 22 . 1 1 6 6 HIS C C 13 175.158 0.3 . 1 . . . . . 6 HIS C . 26575 1 23 . 1 1 6 6 HIS CA C 13 55.916 0.3 . 1 . . . . . 6 HIS CA . 26575 1 24 . 1 1 6 6 HIS CB C 13 29.684 0.3 . 1 . . . . . 6 HIS CB . 26575 1 25 . 1 1 6 6 HIS N N 15 120.654 0.3 . 1 . . . . . 6 HIS N . 26575 1 26 . 1 1 7 7 SER H H 1 7.878 0.020 . 1 . . . . . 7 SER H . 26575 1 27 . 1 1 7 7 SER C C 13 175.138 0.3 . 1 . . . . . 7 SER C . 26575 1 28 . 1 1 7 7 SER CA C 13 58.651 0.3 . 1 . . . . . 7 SER CA . 26575 1 29 . 1 1 7 7 SER CB C 13 64.008 0.3 . 1 . . . . . 7 SER CB . 26575 1 30 . 1 1 7 7 SER N N 15 117.059 0.3 . 1 . . . . . 7 SER N . 26575 1 31 . 1 1 8 8 SER H H 1 8.033 0.020 . 1 . . . . . 8 SER H . 26575 1 32 . 1 1 8 8 SER C C 13 175.363 0.3 . 1 . . . . . 8 SER C . 26575 1 33 . 1 1 8 8 SER CA C 13 58.651 0.3 . 1 . . . . . 8 SER CA . 26575 1 34 . 1 1 8 8 SER CB C 13 64.130 0.3 . 1 . . . . . 8 SER CB . 26575 1 35 . 1 1 8 8 SER N N 15 118.161 0.3 . 1 . . . . . 8 SER N . 26575 1 36 . 1 1 9 9 THR H H 1 7.760 0.020 . 1 . . . . . 9 THR H . 26575 1 37 . 1 1 9 9 THR C C 13 175.350 0.3 . 1 . . . . . 9 THR C . 26575 1 38 . 1 1 9 9 THR CA C 13 61.964 0.3 . 1 . . . . . 9 THR CA . 26575 1 39 . 1 1 9 9 THR CB C 13 70.137 0.3 . 1 . . . . . 9 THR CB . 26575 1 40 . 1 1 9 9 THR N N 15 115.619 0.3 . 1 . . . . . 9 THR N . 26575 1 41 . 1 1 10 10 THR H H 1 7.683 0.020 . 1 . . . . . 10 THR H . 26575 1 42 . 1 1 10 10 THR C C 13 175.225 0.3 . 1 . . . . . 10 THR C . 26575 1 43 . 1 1 10 10 THR CA C 13 61.968 0.3 . 1 . . . . . 10 THR CA . 26575 1 44 . 1 1 10 10 THR CB C 13 69.602 0.3 . 1 . . . . . 10 THR CB . 26575 1 45 . 1 1 10 10 THR N N 15 116.416 0.3 . 1 . . . . . 10 THR N . 26575 1 46 . 1 1 11 11 THR H H 1 7.661 0.020 . 1 . . . . . 11 THR H . 26575 1 47 . 1 1 11 11 THR C C 13 175.064 0.3 . 1 . . . . . 11 THR C . 26575 1 48 . 1 1 11 11 THR CA C 13 62.484 0.3 . 1 . . . . . 11 THR CA . 26575 1 49 . 1 1 11 11 THR CB C 13 69.602 0.3 . 1 . . . . . 11 THR CB . 26575 1 50 . 1 1 11 11 THR N N 15 116.597 0.3 . 1 . . . . . 11 THR N . 26575 1 51 . 1 1 12 12 GLU H H 1 7.869 0.020 . 1 . . . . . 12 GLU H . 26575 1 52 . 1 1 12 12 GLU C C 13 176.923 0.3 . 1 . . . . . 12 GLU C . 26575 1 53 . 1 1 12 12 GLU CA C 13 56.471 0.3 . 1 . . . . . 12 GLU CA . 26575 1 54 . 1 1 12 12 GLU CB C 13 30.551 0.3 . 1 . . . . . 12 GLU CB . 26575 1 55 . 1 1 12 12 GLU N N 15 123.902 0.3 . 1 . . . . . 12 GLU N . 26575 1 56 . 1 1 13 13 LYS H H 1 7.899 0.020 . 1 . . . . . 13 LYS H . 26575 1 57 . 1 1 13 13 LYS C C 13 177.043 0.3 . 1 . . . . . 13 LYS C . 26575 1 58 . 1 1 13 13 LYS CA C 13 56.471 0.3 . 1 . . . . . 13 LYS CA . 26575 1 59 . 1 1 13 13 LYS CB C 13 32.959 0.3 . 1 . . . . . 13 LYS CB . 26575 1 60 . 1 1 13 13 LYS N N 15 123.429 0.3 . 1 . . . . . 13 LYS N . 26575 1 61 . 1 1 14 14 LYS H H 1 7.830 0.020 . 1 . . . . . 14 LYS H . 26575 1 62 . 1 1 14 14 LYS C C 13 177.065 0.3 . 1 . . . . . 14 LYS C . 26575 1 63 . 1 1 14 14 LYS CA C 13 56.471 0.3 . 1 . . . . . 14 LYS CA . 26575 1 64 . 1 1 14 14 LYS CB C 13 32.959 0.3 . 1 . . . . . 14 LYS CB . 26575 1 65 . 1 1 14 14 LYS N N 15 123.265 0.3 . 1 . . . . . 14 LYS N . 26575 1 66 . 1 1 15 15 LYS H H 1 7.893 0.020 . 1 . . . . . 15 LYS H . 26575 1 67 . 1 1 15 15 LYS C C 13 177.102 0.3 . 1 . . . . . 15 LYS C . 26575 1 68 . 1 1 15 15 LYS CA C 13 56.473 0.3 . 1 . . . . . 15 LYS CA . 26575 1 69 . 1 1 15 15 LYS CB C 13 33.504 0.3 . 1 . . . . . 15 LYS CB . 26575 1 70 . 1 1 15 15 LYS N N 15 123.832 0.3 . 1 . . . . . 15 LYS N . 26575 1 71 . 1 1 16 16 VAL H H 1 7.771 0.020 . 1 . . . . . 16 VAL H . 26575 1 72 . 1 1 16 16 VAL C C 13 176.739 0.3 . 1 . . . . . 16 VAL C . 26575 1 73 . 1 1 16 16 VAL CA C 13 62.487 0.3 . 1 . . . . . 16 VAL CA . 26575 1 74 . 1 1 16 16 VAL CB C 13 32.971 0.3 . 1 . . . . . 16 VAL CB . 26575 1 75 . 1 1 16 16 VAL N N 15 122.904 0.3 . 1 . . . . . 16 VAL N . 26575 1 76 . 1 1 17 17 GLU H H 1 8.050 0.020 . 1 . . . . . 17 GLU H . 26575 1 77 . 1 1 17 17 GLU C C 13 176.625 0.3 . 1 . . . . . 17 GLU C . 26575 1 78 . 1 1 17 17 GLU CA C 13 56.472 0.3 . 1 . . . . . 17 GLU CA . 26575 1 79 . 1 1 17 17 GLU CB C 13 30.761 0.3 . 1 . . . . . 17 GLU CB . 26575 1 80 . 1 1 17 17 GLU N N 15 125.311 0.3 . 1 . . . . . 17 GLU N . 26575 1 81 . 1 1 18 18 ASN H H 1 8.030 0.020 . 1 . . . . . 18 ASN H . 26575 1 82 . 1 1 18 18 ASN C C 13 175.660 0.3 . 1 . . . . . 18 ASN C . 26575 1 83 . 1 1 18 18 ASN CA C 13 53.742 0.3 . 1 . . . . . 18 ASN CA . 26575 1 84 . 1 1 18 18 ASN CB C 13 38.975 0.3 . 1 . . . . . 18 ASN CB . 26575 1 85 . 1 1 18 18 ASN N N 15 120.155 0.3 . 1 . . . . . 18 ASN N . 26575 1 86 . 1 1 19 19 SER H H 1 7.791 0.020 . 1 . . . . . 19 SER H . 26575 1 87 . 1 1 19 19 SER C C 13 174.886 0.3 . 1 . . . . . 19 SER C . 26575 1 88 . 1 1 19 19 SER CA C 13 58.653 0.3 . 1 . . . . . 19 SER CA . 26575 1 89 . 1 1 19 19 SER CB C 13 64.103 0.3 . 1 . . . . . 19 SER CB . 26575 1 90 . 1 1 19 19 SER N N 15 116.288 0.3 . 1 . . . . . 19 SER N . 26575 1 91 . 1 1 20 20 ILE H H 1 7.651 0.020 . 1 . . . . . 20 ILE H . 26575 1 92 . 1 1 20 20 ILE C C 13 176.826 0.3 . 1 . . . . . 20 ILE C . 26575 1 93 . 1 1 20 20 ILE CA C 13 61.388 0.3 . 1 . . . . . 20 ILE CA . 26575 1 94 . 1 1 20 20 ILE CB C 13 38.432 0.3 . 1 . . . . . 20 ILE CB . 26575 1 95 . 1 1 20 20 ILE N N 15 122.737 0.3 . 1 . . . . . 20 ILE N . 26575 1 96 . 1 1 21 21 VAL H H 1 7.708 0.020 . 1 . . . . . 21 VAL H . 26575 1 97 . 1 1 21 21 VAL C C 13 176.543 0.3 . 1 . . . . . 21 VAL C . 26575 1 98 . 1 1 21 21 VAL CA C 13 62.492 0.3 . 1 . . . . . 21 VAL CA . 26575 1 99 . 1 1 21 21 VAL CB C 13 32.945 0.3 . 1 . . . . . 21 VAL CB . 26575 1 100 . 1 1 21 21 VAL N N 15 125.482 0.3 . 1 . . . . . 21 VAL N . 26575 1 101 . 1 1 22 22 LYS H H 1 7.972 0.020 . 1 . . . . . 22 LYS H . 26575 1 102 . 1 1 22 22 LYS C C 13 176.805 0.3 . 1 . . . . . 22 LYS C . 26575 1 103 . 1 1 22 22 LYS CA C 13 56.479 0.3 . 1 . . . . . 22 LYS CA . 26575 1 104 . 1 1 22 22 LYS CB C 13 32.979 0.3 . 1 . . . . . 22 LYS CB . 26575 1 105 . 1 1 22 22 LYS N N 15 126.385 0.3 . 1 . . . . . 22 LYS N . 26575 1 106 . 1 1 23 23 CYS H H 1 7.981 0.020 . 1 . . . . . 23 CYS H . 26575 1 107 . 1 1 23 23 CYS C C 13 175.143 0.3 . 1 . . . . . 23 CYS C . 26575 1 108 . 1 1 23 23 CYS CA C 13 58.663 0.3 . 1 . . . . . 23 CYS CA . 26575 1 109 . 1 1 23 23 CYS CB C 13 28.039 0.3 . 1 . . . . . 23 CYS CB . 26575 1 110 . 1 1 23 23 CYS N N 15 121.572 0.3 . 1 . . . . . 23 CYS N . 26575 1 111 . 1 1 24 24 SER H H 1 8.089 0.020 . 1 . . . . . 24 SER H . 26575 1 112 . 1 1 24 24 SER C C 13 175.158 0.3 . 1 . . . . . 24 SER C . 26575 1 113 . 1 1 24 24 SER CA C 13 58.664 0.3 . 1 . . . . . 24 SER CA . 26575 1 114 . 1 1 24 24 SER CB C 13 64.128 0.3 . 1 . . . . . 24 SER CB . 26575 1 115 . 1 1 24 24 SER N N 15 119.123 0.3 . 1 . . . . . 24 SER N . 26575 1 116 . 1 1 25 25 THR H H 1 7.701 0.020 . 1 . . . . . 25 THR H . 26575 1 117 . 1 1 25 25 THR C C 13 174.894 0.3 . 1 . . . . . 25 THR C . 26575 1 118 . 1 1 25 25 THR CA C 13 61.945 0.3 . 1 . . . . . 25 THR CA . 26575 1 119 . 1 1 25 25 THR CB C 13 69.602 0.3 . 1 . . . . . 25 THR CB . 26575 1 120 . 1 1 25 25 THR N N 15 116.335 0.3 . 1 . . . . . 25 THR N . 26575 1 121 . 1 1 26 26 ARG H H 1 7.862 0.020 . 1 . . . . . 26 ARG H . 26575 1 122 . 1 1 26 26 ARG C C 13 176.954 0.3 . 1 . . . . . 26 ARG C . 26575 1 123 . 1 1 26 26 ARG CA C 13 56.471 0.3 . 1 . . . . . 26 ARG CA . 26575 1 124 . 1 1 26 26 ARG CB C 13 31.078 0.3 . 1 . . . . . 26 ARG CB . 26575 1 125 . 1 1 26 26 ARG N N 15 123.667 0.3 . 1 . . . . . 26 ARG N . 26575 1 126 . 1 1 27 27 THR H H 1 7.838 0.020 . 1 . . . . . 27 THR H . 26575 1 127 . 1 1 27 27 THR C C 13 174.675 0.3 . 1 . . . . . 27 THR C . 26575 1 128 . 1 1 27 27 THR CA C 13 61.954 0.3 . 1 . . . . . 27 THR CA . 26575 1 129 . 1 1 27 27 THR CB C 13 69.914 0.3 . 1 . . . . . 27 THR CB . 26575 1 130 . 1 1 27 27 THR N N 15 115.519 0.3 . 1 . . . . . 27 THR N . 26575 1 131 . 1 1 28 28 ASP H H 1 7.944 0.020 . 1 . . . . . 28 ASP H . 26575 1 132 . 1 1 28 28 ASP C C 13 176.695 0.3 . 1 . . . . . 28 ASP C . 26575 1 133 . 1 1 28 28 ASP CA C 13 54.284 0.3 . 1 . . . . . 28 ASP CA . 26575 1 134 . 1 1 28 28 ASP CB C 13 41.169 0.3 . 1 . . . . . 28 ASP CB . 26575 1 135 . 1 1 28 28 ASP N N 15 122.843 0.3 . 1 . . . . . 28 ASP N . 26575 1 136 . 1 1 29 29 VAL H H 1 7.566 0.020 . 1 . . . . . 29 VAL H . 26575 1 137 . 1 1 29 29 VAL C C 13 176.833 0.3 . 1 . . . . . 29 VAL C . 26575 1 138 . 1 1 29 29 VAL CA C 13 62.480 0.3 . 1 . . . . . 29 VAL CA . 26575 1 139 . 1 1 29 29 VAL CB C 13 32.936 0.3 . 1 . . . . . 29 VAL CB . 26575 1 140 . 1 1 29 29 VAL N N 15 119.682 0.3 . 1 . . . . . 29 VAL N . 26575 1 141 . 1 1 30 30 SER H H 1 7.874 0.020 . 1 . . . . . 30 SER H . 26575 1 142 . 1 1 30 30 SER C C 13 175.136 0.3 . 1 . . . . . 30 SER C . 26575 1 143 . 1 1 30 30 SER CA C 13 58.673 0.3 . 1 . . . . . 30 SER CA . 26575 1 144 . 1 1 30 30 SER CB C 13 64.131 0.3 . 1 . . . . . 30 SER CB . 26575 1 145 . 1 1 30 30 SER N N 15 119.338 0.3 . 1 . . . . . 30 SER N . 26575 1 146 . 1 1 31 31 GLU H H 1 7.903 0.020 . 1 . . . . . 31 GLU H . 26575 1 147 . 1 1 31 31 GLU C C 13 176.950 0.3 . 1 . . . . . 31 GLU C . 26575 1 148 . 1 1 31 31 GLU CA C 13 57.017 0.3 . 1 . . . . . 31 GLU CA . 26575 1 149 . 1 1 31 31 GLU CB C 13 30.238 0.3 . 1 . . . . . 31 GLU CB . 26575 1 150 . 1 1 31 31 GLU N N 15 122.990 0.3 . 1 . . . . . 31 GLU N . 26575 1 151 . 1 1 32 32 LYS H H 1 7.737 0.020 . 1 . . . . . 32 LYS H . 26575 1 152 . 1 1 32 32 LYS C C 13 176.768 0.3 . 1 . . . . . 32 LYS C . 26575 1 153 . 1 1 32 32 LYS CA C 13 56.452 0.3 . 1 . . . . . 32 LYS CA . 26575 1 154 . 1 1 32 32 LYS CB C 13 32.965 0.3 . 1 . . . . . 32 LYS CB . 26575 1 155 . 1 1 32 32 LYS N N 15 122.260 0.3 . 1 . . . . . 32 LYS N . 26575 1 156 . 1 1 33 33 ALA H H 1 7.771 0.020 . 1 . . . . . 33 ALA H . 26575 1 157 . 1 1 33 33 ALA C C 13 178.292 0.3 . 1 . . . . . 33 ALA C . 26575 1 158 . 1 1 33 33 ALA CA C 13 52.637 0.3 . 1 . . . . . 33 ALA CA . 26575 1 159 . 1 1 33 33 ALA CB C 13 19.287 0.3 . 1 . . . . . 33 ALA CB . 26575 1 160 . 1 1 33 33 ALA N N 15 125.611 0.3 . 1 . . . . . 33 ALA N . 26575 1 161 . 1 1 34 34 VAL H H 1 7.664 0.020 . 1 . . . . . 34 VAL H . 26575 1 162 . 1 1 34 34 VAL C C 13 176.615 0.3 . 1 . . . . . 34 VAL C . 26575 1 163 . 1 1 34 34 VAL CA C 13 62.487 0.3 . 1 . . . . . 34 VAL CA . 26575 1 164 . 1 1 34 34 VAL CB C 13 32.958 0.3 . 1 . . . . . 34 VAL CB . 26575 1 165 . 1 1 34 34 VAL N N 15 120.112 0.3 . 1 . . . . . 34 VAL N . 26575 1 166 . 1 1 35 35 ALA H H 1 7.932 0.020 . 1 . . . . . 35 ALA H . 26575 1 167 . 1 1 35 35 ALA C C 13 178.267 0.3 . 1 . . . . . 35 ALA C . 26575 1 168 . 1 1 35 35 ALA CA C 13 52.655 0.3 . 1 . . . . . 35 ALA CA . 26575 1 169 . 1 1 35 35 ALA CB C 13 19.277 0.3 . 1 . . . . . 35 ALA CB . 26575 1 170 . 1 1 35 35 ALA N N 15 128.146 0.3 . 1 . . . . . 35 ALA N . 26575 1 171 . 1 1 36 36 SER H H 1 7.859 0.020 . 1 . . . . . 36 SER H . 26575 1 172 . 1 1 36 36 SER C C 13 175.144 0.3 . 1 . . . . . 36 SER C . 26575 1 173 . 1 1 36 36 SER CA C 13 58.653 0.3 . 1 . . . . . 36 SER CA . 26575 1 174 . 1 1 36 36 SER CB C 13 64.126 0.3 . 1 . . . . . 36 SER CB . 26575 1 175 . 1 1 36 36 SER N N 15 115.514 0.3 . 1 . . . . . 36 SER N . 26575 1 176 . 1 1 37 37 SER H H 1 7.920 0.020 . 1 . . . . . 37 SER H . 26575 1 177 . 1 1 37 37 SER C C 13 175.278 0.3 . 1 . . . . . 37 SER C . 26575 1 178 . 1 1 37 37 SER CA C 13 58.662 0.3 . 1 . . . . . 37 SER CA . 26575 1 179 . 1 1 37 37 SER CB C 13 64.126 0.3 . 1 . . . . . 37 SER CB . 26575 1 180 . 1 1 37 37 SER N N 15 117.760 0.3 . 1 . . . . . 37 SER N . 26575 1 181 . 1 1 38 38 THR H H 1 7.752 0.020 . 1 . . . . . 38 THR H . 26575 1 182 . 1 1 38 38 THR C C 13 175.279 0.3 . 1 . . . . . 38 THR C . 26575 1 183 . 1 1 38 38 THR CA C 13 61.954 0.3 . 1 . . . . . 38 THR CA . 26575 1 184 . 1 1 38 38 THR CB C 13 70.135 0.3 . 1 . . . . . 38 THR CB . 26575 1 185 . 1 1 38 38 THR N N 15 115.557 0.3 . 1 . . . . . 38 THR N . 26575 1 186 . 1 1 39 39 THR H H 1 7.649 0.020 . 1 . . . . . 39 THR H . 26575 1 187 . 1 1 39 39 THR C C 13 174.962 0.3 . 1 . . . . . 39 THR C . 26575 1 188 . 1 1 39 39 THR CA C 13 61.940 0.3 . 1 . . . . . 39 THR CA . 26575 1 189 . 1 1 39 39 THR CB C 13 70.123 0.3 . 1 . . . . . 39 THR CB . 26575 1 190 . 1 1 39 39 THR N N 15 115.987 0.3 . 1 . . . . . 39 THR N . 26575 1 191 . 1 1 40 40 SER H H 1 7.869 0.020 . 1 . . . . . 40 SER H . 26575 1 192 . 1 1 40 40 SER C C 13 174.747 0.3 . 1 . . . . . 40 SER C . 26575 1 193 . 1 1 40 40 SER CA C 13 58.644 0.3 . 1 . . . . . 40 SER CA . 26575 1 194 . 1 1 40 40 SER CB C 13 64.124 0.3 . 1 . . . . . 40 SER CB . 26575 1 195 . 1 1 40 40 SER N N 15 118.092 0.3 . 1 . . . . . 40 SER N . 26575 1 196 . 1 1 41 41 ASN H H 1 8.028 0.020 . 1 . . . . . 41 ASN H . 26575 1 197 . 1 1 41 41 ASN C C 13 175.919 0.3 . 1 . . . . . 41 ASN C . 26575 1 198 . 1 1 41 41 ASN CA C 13 53.732 0.3 . 1 . . . . . 41 ASN CA . 26575 1 199 . 1 1 41 41 ASN CB C 13 38.976 0.3 . 1 . . . . . 41 ASN CB . 26575 1 200 . 1 1 41 41 ASN N N 15 120.884 0.3 . 1 . . . . . 41 ASN N . 26575 1 201 . 1 1 42 42 GLU H H 1 7.920 0.020 . 1 . . . . . 42 GLU H . 26575 1 202 . 1 1 42 42 GLU C C 13 176.746 0.3 . 1 . . . . . 42 GLU C . 26575 1 203 . 1 1 42 42 GLU CA C 13 57.025 0.3 . 1 . . . . . 42 GLU CA . 26575 1 204 . 1 1 42 42 GLU CB C 13 30.224 0.3 . 1 . . . . . 42 GLU CB . 26575 1 205 . 1 1 42 42 GLU N N 15 120.885 0.3 . 1 . . . . . 42 GLU N . 26575 1 206 . 1 1 43 43 ASP H H 1 7.771 0.020 . 1 . . . . . 43 ASP H . 26575 1 207 . 1 1 43 43 ASP C C 13 176.703 0.3 . 1 . . . . . 43 ASP C . 26575 1 208 . 1 1 43 43 ASP CA C 13 54.833 0.3 . 1 . . . . . 43 ASP CA . 26575 1 209 . 1 1 43 43 ASP CB C 13 41.163 0.3 . 1 . . . . . 43 ASP CB . 26575 1 210 . 1 1 43 43 ASP N N 15 120.498 0.3 . 1 . . . . . 43 ASP N . 26575 1 211 . 1 1 44 44 GLU H H 1 7.708 0.020 . 1 . . . . . 44 GLU H . 26575 1 212 . 1 1 44 44 GLU C C 13 176.808 0.3 . 1 . . . . . 44 GLU C . 26575 1 213 . 1 1 44 44 GLU CA C 13 56.474 0.3 . 1 . . . . . 44 GLU CA . 26575 1 214 . 1 1 44 44 GLU CB C 13 30.758 0.3 . 1 . . . . . 44 GLU CB . 26575 1 215 . 1 1 44 44 GLU N N 15 120.820 0.3 . 1 . . . . . 44 GLU N . 26575 1 216 . 1 1 45 45 SER H H 1 7.844 0.020 . 1 . . . . . 45 SER H . 26575 1 217 . 1 1 45 45 SER C C 13 173.284 0.3 . 1 . . . . . 45 SER C . 26575 1 218 . 1 1 45 45 SER CA C 13 56.762 0.3 . 1 . . . . . 45 SER CA . 26575 1 219 . 1 1 45 45 SER CB C 13 63.308 0.3 . 1 . . . . . 45 SER CB . 26575 1 220 . 1 1 45 45 SER N N 15 118.221 0.3 . 1 . . . . . 45 SER N . 26575 1 221 . 1 1 47 47 GLY H H 1 8.037 0.020 . 1 . . . . . 47 GLY H . 26575 1 222 . 1 1 47 47 GLY C C 13 174.986 0.3 . 1 . . . . . 47 GLY C . 26575 1 223 . 1 1 47 47 GLY CA C 13 45.532 0.3 . 1 . . . . . 47 GLY CA . 26575 1 224 . 1 1 47 47 GLY N N 15 108.904 0.3 . 1 . . . . . 47 GLY N . 26575 1 225 . 1 1 48 48 GLN H H 1 7.536 0.020 . 1 . . . . . 48 GLN H . 26575 1 226 . 1 1 48 48 GLN C C 13 176.923 0.3 . 1 . . . . . 48 GLN C . 26575 1 227 . 1 1 48 48 GLN CA C 13 56.470 0.3 . 1 . . . . . 48 GLN CA . 26575 1 228 . 1 1 48 48 GLN CB C 13 29.679 0.3 . 1 . . . . . 48 GLN CB . 26575 1 229 . 1 1 48 48 GLN N N 15 119.510 0.3 . 1 . . . . . 48 GLN N . 26575 1 230 . 1 1 49 49 THR H H 1 7.673 0.020 . 1 . . . . . 49 THR H . 26575 1 231 . 1 1 49 49 THR C C 13 174.726 0.3 . 1 . . . . . 49 THR C . 26575 1 232 . 1 1 49 49 THR CA C 13 62.492 0.3 . 1 . . . . . 49 THR CA . 26575 1 233 . 1 1 49 49 THR CB C 13 69.606 0.3 . 1 . . . . . 49 THR CB . 26575 1 234 . 1 1 49 49 THR N N 15 115.127 0.3 . 1 . . . . . 49 THR N . 26575 1 235 . 1 1 50 50 TYR H H 1 7.634 0.020 . 1 . . . . . 50 TYR H . 26575 1 236 . 1 1 50 50 TYR C C 13 175.940 0.3 . 1 . . . . . 50 TYR C . 26575 1 237 . 1 1 50 50 TYR CA C 13 58.127 0.3 . 1 . . . . . 50 TYR CA . 26575 1 238 . 1 1 50 50 TYR CB C 13 38.973 0.3 . 1 . . . . . 50 TYR CB . 26575 1 239 . 1 1 50 50 TYR N N 15 122.346 0.3 . 1 . . . . . 50 TYR N . 26575 1 240 . 1 1 51 51 HIS H H 1 7.800 0.020 . 1 . . . . . 51 HIS H . 26575 1 241 . 1 1 51 51 HIS C C 13 174.927 0.3 . 1 . . . . . 51 HIS C . 26575 1 242 . 1 1 51 51 HIS CA C 13 55.921 0.3 . 1 . . . . . 51 HIS CA . 26575 1 243 . 1 1 51 51 HIS CB C 13 29.677 0.3 . 1 . . . . . 51 HIS CB . 26575 1 244 . 1 1 51 51 HIS N N 15 120.971 0.3 . 1 . . . . . 51 HIS N . 26575 1 245 . 1 1 52 52 ARG H H 1 7.797 0.020 . 1 . . . . . 52 ARG H . 26575 1 246 . 1 1 52 52 ARG C C 13 176.836 0.3 . 1 . . . . . 52 ARG C . 26575 1 247 . 1 1 52 52 ARG CA C 13 57.011 0.3 . 1 . . . . . 52 ARG CA . 26575 1 248 . 1 1 52 52 ARG CB C 13 30.774 0.3 . 1 . . . . . 52 ARG CB . 26575 1 249 . 1 1 52 52 ARG N N 15 122.519 0.3 . 1 . . . . . 52 ARG N . 26575 1 250 . 1 1 53 53 GLU H H 1 8.088 0.020 . 1 . . . . . 53 GLU H . 26575 1 251 . 1 1 53 53 GLU C C 13 177.057 0.3 . 1 . . . . . 53 GLU C . 26575 1 252 . 1 1 53 53 GLU CA C 13 57.016 0.3 . 1 . . . . . 53 GLU CA . 26575 1 253 . 1 1 53 53 GLU CB C 13 30.225 0.3 . 1 . . . . . 53 GLU CB . 26575 1 254 . 1 1 53 53 GLU N N 15 121.658 0.3 . 1 . . . . . 53 GLU N . 26575 1 255 . 1 1 54 54 ARG H H 1 7.851 0.020 . 1 . . . . . 54 ARG H . 26575 1 256 . 1 1 54 54 ARG C C 13 176.948 0.3 . 1 . . . . . 54 ARG C . 26575 1 257 . 1 1 54 54 ARG CA C 13 56.476 0.3 . 1 . . . . . 54 ARG CA . 26575 1 258 . 1 1 54 54 ARG CB C 13 30.752 0.3 . 1 . . . . . 54 ARG CB . 26575 1 259 . 1 1 54 54 ARG N N 15 122.481 0.3 . 1 . . . . . 54 ARG N . 26575 1 260 . 1 1 55 55 ARG H H 1 7.883 0.020 . 1 . . . . . 55 ARG H . 26575 1 261 . 1 1 55 55 ARG C C 13 176.629 0.3 . 1 . . . . . 55 ARG C . 26575 1 262 . 1 1 55 55 ARG CA C 13 56.476 0.3 . 1 . . . . . 55 ARG CA . 26575 1 263 . 1 1 55 55 ARG CB C 13 30.804 0.3 . 1 . . . . . 55 ARG CB . 26575 1 264 . 1 1 55 55 ARG N N 15 122.168 0.3 . 1 . . . . . 55 ARG N . 26575 1 265 . 1 1 56 56 ASN H H 1 7.937 0.020 . 1 . . . . . 56 ASN H . 26575 1 266 . 1 1 56 56 ASN C C 13 175.404 0.3 . 1 . . . . . 56 ASN C . 26575 1 267 . 1 1 56 56 ASN CA C 13 53.220 0.3 . 1 . . . . . 56 ASN CA . 26575 1 268 . 1 1 56 56 ASN CB C 13 38.970 0.3 . 1 . . . . . 56 ASN CB . 26575 1 269 . 1 1 56 56 ASN N N 15 119.725 0.3 . 1 . . . . . 56 ASN N . 26575 1 270 . 1 1 57 57 ALA H H 1 7.728 0.020 . 1 . . . . . 57 ALA H . 26575 1 271 . 1 1 57 57 ALA C C 13 178.266 0.3 . 1 . . . . . 57 ALA C . 26575 1 272 . 1 1 57 57 ALA CA C 13 52.643 0.3 . 1 . . . . . 57 ALA CA . 26575 1 273 . 1 1 57 57 ALA CB C 13 19.288 0.3 . 1 . . . . . 57 ALA CB . 26575 1 274 . 1 1 57 57 ALA N N 15 124.150 0.3 . 1 . . . . . 57 ALA N . 26575 1 275 . 1 1 58 58 ILE H H 1 7.659 0.020 . 1 . . . . . 58 ILE H . 26575 1 276 . 1 1 58 58 ILE C C 13 177.142 0.3 . 1 . . . . . 58 ILE C . 26575 1 277 . 1 1 58 58 ILE CA C 13 61.395 0.3 . 1 . . . . . 58 ILE CA . 26575 1 278 . 1 1 58 58 ILE CB C 13 38.965 0.3 . 1 . . . . . 58 ILE CB . 26575 1 279 . 1 1 58 58 ILE N N 15 119.880 0.3 . 1 . . . . . 58 ILE N . 26575 1 280 . 1 1 59 59 THR H H 1 7.664 0.020 . 1 . . . . . 59 THR H . 26575 1 281 . 1 1 59 59 THR C C 13 174.800 0.3 . 1 . . . . . 59 THR C . 26575 1 282 . 1 1 59 59 THR CA C 13 61.946 0.3 . 1 . . . . . 59 THR CA . 26575 1 283 . 1 1 59 59 THR CB C 13 69.898 0.3 . 1 . . . . . 59 THR CB . 26575 1 284 . 1 1 59 59 THR N N 15 118.264 0.3 . 1 . . . . . 59 THR N . 26575 1 285 . 1 1 60 60 MET H H 1 7.846 0.020 . 1 . . . . . 60 MET H . 26575 1 286 . 1 1 60 60 MET C C 13 176.348 0.3 . 1 . . . . . 60 MET C . 26575 1 287 . 1 1 60 60 MET CA C 13 55.365 0.3 . 1 . . . . . 60 MET CA . 26575 1 288 . 1 1 60 60 MET CB C 13 32.961 0.3 . 1 . . . . . 60 MET CB . 26575 1 289 . 1 1 60 60 MET N N 15 122.980 0.3 . 1 . . . . . 60 MET N . 26575 1 290 . 1 1 61 61 GLN H H 1 7.889 0.020 . 1 . . . . . 61 GLN H . 26575 1 291 . 1 1 61 61 GLN C C 13 174.477 0.3 . 1 . . . . . 61 GLN C . 26575 1 292 . 1 1 61 61 GLN CA C 13 53.743 0.3 . 1 . . . . . 61 GLN CA . 26575 1 293 . 1 1 61 61 GLN CB C 13 28.600 0.3 . 1 . . . . . 61 GLN CB . 26575 1 294 . 1 1 61 61 GLN N N 15 122.902 0.3 . 1 . . . . . 61 GLN N . 26575 1 295 . 1 1 63 63 GLN H H 1 8.089 0.020 . 1 . . . . . 63 GLN H . 26575 1 296 . 1 1 63 63 GLN C C 13 176.252 0.3 . 1 . . . . . 63 GLN C . 26575 1 297 . 1 1 63 63 GLN CA C 13 55.938 0.3 . 1 . . . . . 63 GLN CA . 26575 1 298 . 1 1 63 63 GLN CB C 13 29.675 0.3 . 1 . . . . . 63 GLN CB . 26575 1 299 . 1 1 63 63 GLN N N 15 120.326 0.3 . 1 . . . . . 63 GLN N . 26575 1 300 . 1 1 64 64 ASN H H 1 7.987 0.020 . 1 . . . . . 64 ASN H . 26575 1 301 . 1 1 64 64 ASN C C 13 175.792 0.3 . 1 . . . . . 64 ASN C . 26575 1 302 . 1 1 64 64 ASN CA C 13 53.196 0.3 . 1 . . . . . 64 ASN CA . 26575 1 303 . 1 1 64 64 ASN CB C 13 38.971 0.3 . 1 . . . . . 64 ASN CB . 26575 1 304 . 1 1 64 64 ASN N N 15 119.725 0.3 . 1 . . . . . 64 ASN N . 26575 1 305 . 1 1 65 65 VAL H H 1 7.639 0.020 . 1 . . . . . 65 VAL H . 26575 1 306 . 1 1 65 65 VAL C C 13 176.851 0.3 . 1 . . . . . 65 VAL C . 26575 1 307 . 1 1 65 65 VAL CA C 13 62.495 0.3 . 1 . . . . . 65 VAL CA . 26575 1 308 . 1 1 65 65 VAL CB C 13 32.642 0.3 . 1 . . . . . 65 VAL CB . 26575 1 309 . 1 1 65 65 VAL N N 15 120.455 0.3 . 1 . . . . . 65 VAL N . 26575 1 310 . 1 1 66 66 GLN H H 1 7.981 0.020 . 1 . . . . . 66 GLN H . 26575 1 311 . 1 1 66 66 GLN C C 13 176.990 0.3 . 1 . . . . . 66 GLN C . 26575 1 312 . 1 1 66 66 GLN CA C 13 56.471 0.3 . 1 . . . . . 66 GLN CA . 26575 1 313 . 1 1 66 66 GLN CB C 13 29.666 0.3 . 1 . . . . . 66 GLN CB . 26575 1 314 . 1 1 66 66 GLN N N 15 123.807 0.3 . 1 . . . . . 66 GLN N . 26575 1 315 . 1 1 67 67 GLY H H 1 7.886 0.020 . 1 . . . . . 67 GLY H . 26575 1 316 . 1 1 67 67 GLY C C 13 174.532 0.3 . 1 . . . . . 67 GLY C . 26575 1 317 . 1 1 67 67 GLY CA C 13 45.538 0.3 . 1 . . . . . 67 GLY CA . 26575 1 318 . 1 1 67 67 GLY N N 15 109.941 0.3 . 1 . . . . . 67 GLY N . 26575 1 319 . 1 1 68 68 LEU H H 1 7.571 0.020 . 1 . . . . . 68 LEU H . 26575 1 320 . 1 1 68 68 LEU C C 13 178.137 0.3 . 1 . . . . . 68 LEU C . 26575 1 321 . 1 1 68 68 LEU CA C 13 55.349 0.3 . 1 . . . . . 68 LEU CA . 26575 1 322 . 1 1 68 68 LEU CB C 13 42.798 0.3 . 1 . . . . . 68 LEU CB . 26575 1 323 . 1 1 68 68 LEU N N 15 121.225 0.3 . 1 . . . . . 68 LEU N . 26575 1 324 . 1 1 69 69 SER H H 1 7.820 0.020 . 1 . . . . . 69 SER H . 26575 1 325 . 1 1 69 69 SER C C 13 174.801 0.3 . 1 . . . . . 69 SER C . 26575 1 326 . 1 1 69 69 SER CA C 13 58.666 0.3 . 1 . . . . . 69 SER CA . 26575 1 327 . 1 1 69 69 SER CB C 13 64.102 0.3 . 1 . . . . . 69 SER CB . 26575 1 328 . 1 1 69 69 SER N N 15 116.760 0.3 . 1 . . . . . 69 SER N . 26575 1 329 . 1 1 70 70 LYS H H 1 7.867 0.020 . 1 . . . . . 70 LYS H . 26575 1 330 . 1 1 70 70 LYS C C 13 176.962 0.3 . 1 . . . . . 70 LYS C . 26575 1 331 . 1 1 70 70 LYS CA C 13 56.472 0.3 . 1 . . . . . 70 LYS CA . 26575 1 332 . 1 1 70 70 LYS CB C 13 33.504 0.3 . 1 . . . . . 70 LYS CB . 26575 1 333 . 1 1 70 70 LYS N N 15 123.622 0.3 . 1 . . . . . 70 LYS N . 26575 1 334 . 1 1 71 71 VAL H H 1 7.726 0.020 . 1 . . . . . 71 VAL H . 26575 1 335 . 1 1 71 71 VAL C C 13 176.712 0.3 . 1 . . . . . 71 VAL C . 26575 1 336 . 1 1 71 71 VAL CA C 13 62.492 0.3 . 1 . . . . . 71 VAL CA . 26575 1 337 . 1 1 71 71 VAL CB C 13 32.965 0.3 . 1 . . . . . 71 VAL CB . 26575 1 338 . 1 1 71 71 VAL N N 15 121.927 0.3 . 1 . . . . . 71 VAL N . 26575 1 339 . 1 1 72 72 SER H H 1 7.897 0.020 . 1 . . . . . 72 SER H . 26575 1 340 . 1 1 72 72 SER C C 13 174.750 0.3 . 1 . . . . . 72 SER C . 26575 1 341 . 1 1 72 72 SER CA C 13 58.650 0.3 . 1 . . . . . 72 SER CA . 26575 1 342 . 1 1 72 72 SER CB C 13 64.131 0.3 . 1 . . . . . 72 SER CB . 26575 1 343 . 1 1 72 72 SER N N 15 119.571 0.3 . 1 . . . . . 72 SER N . 26575 1 344 . 1 1 73 73 GLU H H 1 7.937 0.020 . 1 . . . . . 73 GLU H . 26575 1 345 . 1 1 73 73 GLU C C 13 176.675 0.3 . 1 . . . . . 73 GLU C . 26575 1 346 . 1 1 73 73 GLU CA C 13 56.454 0.3 . 1 . . . . . 73 GLU CA . 26575 1 347 . 1 1 73 73 GLU CB C 13 30.753 0.3 . 1 . . . . . 73 GLU CB . 26575 1 348 . 1 1 73 73 GLU N N 15 122.947 0.3 . 1 . . . . . 73 GLU N . 26575 1 349 . 1 1 74 74 GLU H H 1 7.923 0.020 . 1 . . . . . 74 GLU H . 26575 1 350 . 1 1 74 74 GLU C C 13 175.013 0.3 . 1 . . . . . 74 GLU C . 26575 1 351 . 1 1 74 74 GLU CA C 13 54.622 0.3 . 1 . . . . . 74 GLU CA . 26575 1 352 . 1 1 74 74 GLU CB C 13 29.681 0.3 . 1 . . . . . 74 GLU CB . 26575 1 353 . 1 1 74 74 GLU N N 15 123.549 0.3 . 1 . . . . . 74 GLU N . 26575 1 354 . 1 1 76 76 SER H H 1 8.060 0.020 . 1 . . . . . 76 SER H . 26575 1 355 . 1 1 76 76 SER C C 13 175.573 0.3 . 1 . . . . . 76 SER C . 26575 1 356 . 1 1 76 76 SER CA C 13 58.647 0.3 . 1 . . . . . 76 SER CA . 26575 1 357 . 1 1 76 76 SER CB C 13 64.132 0.3 . 1 . . . . . 76 SER CB . 26575 1 358 . 1 1 76 76 SER N N 15 116.416 0.3 . 1 . . . . . 76 SER N . 26575 1 359 . 1 1 77 77 THR H H 1 7.742 0.020 . 1 . . . . . 77 THR H . 26575 1 360 . 1 1 77 77 THR C C 13 175.249 0.3 . 1 . . . . . 77 THR C . 26575 1 361 . 1 1 77 77 THR CA C 13 61.818 0.3 . 1 . . . . . 77 THR CA . 26575 1 362 . 1 1 77 77 THR CB C 13 69.972 0.3 . 1 . . . . . 77 THR CB . 26575 1 363 . 1 1 77 77 THR N N 15 115.541 0.3 . 1 . . . . . 77 THR N . 26575 1 364 . 1 1 78 78 SER H H 1 7.874 0.020 . 1 . . . . . 78 SER H . 26575 1 365 . 1 1 78 78 SER C C 13 175.310 0.3 . 1 . . . . . 78 SER C . 26575 1 366 . 1 1 78 78 SER CA C 13 58.652 0.3 . 1 . . . . . 78 SER CA . 26575 1 367 . 1 1 78 78 SER CB C 13 64.133 0.3 . 1 . . . . . 78 SER CB . 26575 1 368 . 1 1 78 78 SER N N 15 117.883 0.3 . 1 . . . . . 78 SER N . 26575 1 369 . 1 1 79 79 SER H H 1 7.937 0.020 . 1 . . . . . 79 SER H . 26575 1 370 . 1 1 79 79 SER C C 13 175.185 0.3 . 1 . . . . . 79 SER C . 26575 1 371 . 1 1 79 79 SER CA C 13 59.196 0.3 . 1 . . . . . 79 SER CA . 26575 1 372 . 1 1 79 79 SER CB C 13 63.574 0.3 . 1 . . . . . 79 SER CB . 26575 1 373 . 1 1 79 79 SER N N 15 117.877 0.3 . 1 . . . . . 79 SER N . 26575 1 374 . 1 1 80 80 ASP H H 1 7.796 0.020 . 1 . . . . . 80 ASP H . 26575 1 375 . 1 1 80 80 ASP C C 13 177.302 0.3 . 1 . . . . . 80 ASP C . 26575 1 376 . 1 1 80 80 ASP CA C 13 54.832 0.3 . 1 . . . . . 80 ASP CA . 26575 1 377 . 1 1 80 80 ASP CB C 13 41.161 0.3 . 1 . . . . . 80 ASP CB . 26575 1 378 . 1 1 80 80 ASP N N 15 122.217 0.3 . 1 . . . . . 80 ASP N . 26575 1 379 . 1 1 81 81 GLU H H 1 7.844 0.020 . 1 . . . . . 81 GLU H . 26575 1 380 . 1 1 81 81 GLU C C 13 177.770 0.3 . 1 . . . . . 81 GLU C . 26575 1 381 . 1 1 81 81 GLU CA C 13 57.566 0.3 . 1 . . . . . 81 GLU CA . 26575 1 382 . 1 1 81 81 GLU CB C 13 29.808 0.3 . 1 . . . . . 81 GLU CB . 26575 1 383 . 1 1 81 81 GLU N N 15 121.787 0.3 . 1 . . . . . 81 GLU N . 26575 1 384 . 1 1 82 82 ARG H H 1 7.722 0.020 . 1 . . . . . 82 ARG H . 26575 1 385 . 1 1 82 82 ARG C C 13 177.403 0.3 . 1 . . . . . 82 ARG C . 26575 1 386 . 1 1 82 82 ARG CA C 13 57.016 0.3 . 1 . . . . . 82 ARG CA . 26575 1 387 . 1 1 82 82 ARG CB C 13 30.761 0.3 . 1 . . . . . 82 ARG CB . 26575 1 388 . 1 1 82 82 ARG N N 15 120.842 0.3 . 1 . . . . . 82 ARG N . 26575 1 389 . 1 1 83 83 ALA H H 1 7.629 0.020 . 1 . . . . . 83 ALA H . 26575 1 390 . 1 1 83 83 ALA C C 13 178.785 0.3 . 1 . . . . . 83 ALA C . 26575 1 391 . 1 1 83 83 ALA CA C 13 53.204 0.3 . 1 . . . . . 83 ALA CA . 26575 1 392 . 1 1 83 83 ALA CB C 13 19.286 0.3 . 1 . . . . . 83 ALA CB . 26575 1 393 . 1 1 83 83 ALA N N 15 123.506 0.3 . 1 . . . . . 83 ALA N . 26575 1 394 . 1 1 84 84 SER H H 1 7.595 0.020 . 1 . . . . . 84 SER H . 26575 1 395 . 1 1 84 84 SER C C 13 175.193 0.3 . 1 . . . . . 84 SER C . 26575 1 396 . 1 1 84 84 SER CA C 13 58.688 0.3 . 1 . . . . . 84 SER CA . 26575 1 397 . 1 1 84 84 SER CB C 13 63.584 0.3 . 1 . . . . . 84 SER CB . 26575 1 398 . 1 1 84 84 SER N N 15 114.096 0.3 . 1 . . . . . 84 SER N . 26575 1 399 . 1 1 85 85 LEU H H 1 7.551 0.020 . 1 . . . . . 85 LEU H . 26575 1 400 . 1 1 85 85 LEU C C 13 177.840 0.3 . 1 . . . . . 85 LEU C . 26575 1 401 . 1 1 85 85 LEU CA C 13 55.382 0.3 . 1 . . . . . 85 LEU CA . 26575 1 402 . 1 1 85 85 LEU CB C 13 42.251 0.3 . 1 . . . . . 85 LEU CB . 26575 1 403 . 1 1 85 85 LEU N N 15 123.506 0.3 . 1 . . . . . 85 LEU N . 26575 1 404 . 1 1 86 86 ILE H H 1 7.404 0.020 . 1 . . . . . 86 ILE H . 26575 1 405 . 1 1 86 86 ILE C C 13 176.561 0.3 . 1 . . . . . 86 ILE C . 26575 1 406 . 1 1 86 86 ILE CA C 13 61.397 0.3 . 1 . . . . . 86 ILE CA . 26575 1 407 . 1 1 86 86 ILE CB C 13 38.426 0.3 . 1 . . . . . 86 ILE CB . 26575 1 408 . 1 1 86 86 ILE N N 15 121.401 0.3 . 1 . . . . . 86 ILE N . 26575 1 409 . 1 1 87 87 LYS H H 1 7.844 0.020 . 1 . . . . . 87 LYS H . 26575 1 410 . 1 1 87 87 LYS C C 13 176.559 0.3 . 1 . . . . . 87 LYS C . 26575 1 411 . 1 1 87 87 LYS CA C 13 56.475 0.3 . 1 . . . . . 87 LYS CA . 26575 1 412 . 1 1 87 87 LYS CB C 13 33.231 0.3 . 1 . . . . . 87 LYS CB . 26575 1 413 . 1 1 87 87 LYS N N 15 126.685 0.3 . 1 . . . . . 87 LYS N . 26575 1 414 . 1 1 88 88 LYS H H 1 7.884 0.020 . 1 . . . . . 88 LYS H . 26575 1 415 . 1 1 88 88 LYS C C 13 176.764 0.3 . 1 . . . . . 88 LYS C . 26575 1 416 . 1 1 88 88 LYS CA C 13 56.471 0.3 . 1 . . . . . 88 LYS CA . 26575 1 417 . 1 1 88 88 LYS CB C 13 33.494 0.3 . 1 . . . . . 88 LYS CB . 26575 1 418 . 1 1 88 88 LYS N N 15 124.065 0.3 . 1 . . . . . 88 LYS N . 26575 1 419 . 1 1 89 89 GLU H H 1 7.962 0.020 . 1 . . . . . 89 GLU H . 26575 1 420 . 1 1 89 89 GLU C C 13 175.965 0.3 . 1 . . . . . 89 GLU C . 26575 1 421 . 1 1 89 89 GLU CA C 13 56.812 0.3 . 1 . . . . . 89 GLU CA . 26575 1 422 . 1 1 89 89 GLU CB C 13 30.231 0.3 . 1 . . . . . 89 GLU CB . 26575 1 423 . 1 1 89 89 GLU N N 15 123.377 0.3 . 1 . . . . . 89 GLU N . 26575 1 424 . 1 1 90 90 ILE H H 1 7.272 0.020 . 1 . . . . . 90 ILE H . 26575 1 425 . 1 1 90 90 ILE C C 13 181.635 0.3 . 1 . . . . . 90 ILE C . 26575 1 426 . 1 1 90 90 ILE CA C 13 63.039 0.3 . 1 . . . . . 90 ILE CA . 26575 1 427 . 1 1 90 90 ILE CB C 13 39.521 0.3 . 1 . . . . . 90 ILE CB . 26575 1 428 . 1 1 90 90 ILE N N 15 125.826 0.3 . 1 . . . . . 90 ILE N . 26575 1 stop_ save_