data_53388 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53388 _Entry.Title ; Monomeric bovine Pi3K-SH3 at pH 6.8, 25 mM sodium phosphate, 20 degC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-14 _Entry.Accession_date 2025-10-14 _Entry.Last_release_date 2025-10-14 _Entry.Original_release_date 2025-10-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Monomeric bovine Pi3K-SH3 at pH 6.8, 25 mM sodium phosphate, 20 degC' _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 Luis Gardon . T. . . 53388 2 Nils Lakomek . A. . . 53388 3 Henrike Heise . H. . . 53388 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 53388 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 654 53388 '15N chemical shifts' 158 53388 '1H chemical shifts' 158 53388 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 . . 2025-11-17 . original BMRB . 53388 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53388 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Monomeric bovine Pi3K-SH3 at neutral pH ; _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 Luis Gardon . . . . 53388 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53388 _Assembly.ID 1 _Assembly.Name 'PI3K-SH3 pH 6.8' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9638.61 _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 'Monomeric bovine Pi3K-SH3' 1 $entity_1 . . yes native no no . . . 53388 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53388 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMSAEGYQYRALYDYKKER EEDIDLHLGDILTVNKGSLV ALGFSDGQEAKPEEIGWLNG YNETTGERGDFPGTYVEYIG RKKISP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first two amino acids (GS) remain as a result of thrombin cleavage' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9638.61 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'C-terminal residues I84, S85 and P86 are present in two conformation' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes BMRB 19110 . 'Bovine PI3K-SH3 domain' . . . . . . . . . . . . . . 53388 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Mediating protein-protein interaction, binding PxxP sequences, Model system for amyloid fibril formation.' 53388 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 53388 1 2 . SER . 53388 1 3 . MET . 53388 1 4 . SER . 53388 1 5 . ALA . 53388 1 6 . GLU . 53388 1 7 . GLY . 53388 1 8 . TYR . 53388 1 9 . GLN . 53388 1 10 . TYR . 53388 1 11 . ARG . 53388 1 12 . ALA . 53388 1 13 . LEU . 53388 1 14 . TYR . 53388 1 15 . ASP . 53388 1 16 . TYR . 53388 1 17 . LYS . 53388 1 18 . LYS . 53388 1 19 . GLU . 53388 1 20 . ARG . 53388 1 21 . GLU . 53388 1 22 . GLU . 53388 1 23 . ASP . 53388 1 24 . ILE . 53388 1 25 . ASP . 53388 1 26 . LEU . 53388 1 27 . HIS . 53388 1 28 . LEU . 53388 1 29 . GLY . 53388 1 30 . ASP . 53388 1 31 . ILE . 53388 1 32 . LEU . 53388 1 33 . THR . 53388 1 34 . VAL . 53388 1 35 . ASN . 53388 1 36 . LYS . 53388 1 37 . GLY . 53388 1 38 . SER . 53388 1 39 . LEU . 53388 1 40 . VAL . 53388 1 41 . ALA . 53388 1 42 . LEU . 53388 1 43 . GLY . 53388 1 44 . PHE . 53388 1 45 . SER . 53388 1 46 . ASP . 53388 1 47 . GLY . 53388 1 48 . GLN . 53388 1 49 . GLU . 53388 1 50 . ALA . 53388 1 51 . LYS . 53388 1 52 . PRO . 53388 1 53 . GLU . 53388 1 54 . GLU . 53388 1 55 . ILE . 53388 1 56 . GLY . 53388 1 57 . TRP . 53388 1 58 . LEU . 53388 1 59 . ASN . 53388 1 60 . GLY . 53388 1 61 . TYR . 53388 1 62 . ASN . 53388 1 63 . GLU . 53388 1 64 . THR . 53388 1 65 . THR . 53388 1 66 . GLY . 53388 1 67 . GLU . 53388 1 68 . ARG . 53388 1 69 . GLY . 53388 1 70 . ASP . 53388 1 71 . PHE . 53388 1 72 . PRO . 53388 1 73 . GLY . 53388 1 74 . THR . 53388 1 75 . TYR . 53388 1 76 . VAL . 53388 1 77 . GLU . 53388 1 78 . TYR . 53388 1 79 . ILE . 53388 1 80 . GLY . 53388 1 81 . ARG . 53388 1 82 . LYS . 53388 1 83 . LYS . 53388 1 84 . ILE . 53388 1 85 . SER . 53388 1 86 . PRO . 53388 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 53388 1 . SER 2 2 53388 1 . MET 3 3 53388 1 . SER 4 4 53388 1 . ALA 5 5 53388 1 . GLU 6 6 53388 1 . GLY 7 7 53388 1 . TYR 8 8 53388 1 . GLN 9 9 53388 1 . TYR 10 10 53388 1 . ARG 11 11 53388 1 . ALA 12 12 53388 1 . LEU 13 13 53388 1 . TYR 14 14 53388 1 . ASP 15 15 53388 1 . TYR 16 16 53388 1 . LYS 17 17 53388 1 . LYS 18 18 53388 1 . GLU 19 19 53388 1 . ARG 20 20 53388 1 . GLU 21 21 53388 1 . GLU 22 22 53388 1 . ASP 23 23 53388 1 . ILE 24 24 53388 1 . ASP 25 25 53388 1 . LEU 26 26 53388 1 . HIS 27 27 53388 1 . LEU 28 28 53388 1 . GLY 29 29 53388 1 . ASP 30 30 53388 1 . ILE 31 31 53388 1 . LEU 32 32 53388 1 . THR 33 33 53388 1 . VAL 34 34 53388 1 . ASN 35 35 53388 1 . LYS 36 36 53388 1 . GLY 37 37 53388 1 . SER 38 38 53388 1 . LEU 39 39 53388 1 . VAL 40 40 53388 1 . ALA 41 41 53388 1 . LEU 42 42 53388 1 . GLY 43 43 53388 1 . PHE 44 44 53388 1 . SER 45 45 53388 1 . ASP 46 46 53388 1 . GLY 47 47 53388 1 . GLN 48 48 53388 1 . GLU 49 49 53388 1 . ALA 50 50 53388 1 . LYS 51 51 53388 1 . PRO 52 52 53388 1 . GLU 53 53 53388 1 . GLU 54 54 53388 1 . ILE 55 55 53388 1 . GLY 56 56 53388 1 . TRP 57 57 53388 1 . LEU 58 58 53388 1 . ASN 59 59 53388 1 . GLY 60 60 53388 1 . TYR 61 61 53388 1 . ASN 62 62 53388 1 . GLU 63 63 53388 1 . THR 64 64 53388 1 . THR 65 65 53388 1 . GLY 66 66 53388 1 . GLU 67 67 53388 1 . ARG 68 68 53388 1 . GLY 69 69 53388 1 . ASP 70 70 53388 1 . PHE 71 71 53388 1 . PRO 72 72 53388 1 . GLY 73 73 53388 1 . THR 74 74 53388 1 . TYR 75 75 53388 1 . VAL 76 76 53388 1 . GLU 77 77 53388 1 . TYR 78 78 53388 1 . ILE 79 79 53388 1 . GLY 80 80 53388 1 . ARG 81 81 53388 1 . LYS 82 82 53388 1 . LYS 83 83 53388 1 . ILE 84 84 53388 1 . SER 85 85 53388 1 . PRO 86 86 53388 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53388 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . 53388 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53388 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pGEX-4T . . . 53388 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53388 _Sample.ID 1 _Sample.Name 'Monomeric bovine Pi3K-SH3 at pH 6.8, 25 mM sodium phosphate, 20 degC' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'dissolved in 25 mM sodium phosphate pH 6.8' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Monomeric bovine Pi3K-SH3 at pH 6.8' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 250 . . uM . . . . 53388 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 53388 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 53388 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Monomeric bovine Pi3K-SH3 at pH 6.8, 25 mM sodium phosphate, 20 degC' _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' 0.025 . M 53388 1 pH 6.8 . pH 53388 1 pressure 1 . atm 53388 1 temperature 293,15 . K 53388 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53388 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53388 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53388 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details 'Probhead: Z120187_0020 (CP TCI 700S3 H-C/N-D-05 Z)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53388 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details 'Probhead: Z145821_0002 (CP TXO 800S7 C/N-H-D-05 Z)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53388 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53388 1 2 '3D HNCA' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53388 1 3 '3D HNCO' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53388 1 4 '2D 1H-15N HSQC' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53388 1 5 '2D 1H-15N HSQC' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53388 1 6 '2D 13C-13C TOCSY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53388 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '3D HNCACB' ser_HNCACB_700MHz . 'Time-domain (raw spectral data)' . . 53388 1 2 '3D HNCA' ser_HNCA_700MHz . 'Time-domain (raw spectral data)' . . 53388 1 3 '3D HNCO' ser_HNCO_700MHz . 'Time-domain (raw spectral data)' . . 53388 1 4 '2D 1H-15N HSQC' ser_HSQC_700MHz . 'Time-domain (raw spectral data)' . . 53388 1 5 '2D 1H-15N HSQC' nhsqc_800MHz.fid . 'Time-domain (raw spectral data)' . . 53388 1 6 '2D 13C-13C TOCSY' cctocsy_800MHz.fid . 'Time-domain (raw spectral data)' . . 53388 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53388 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 internal indirect . . . . . . 53388 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53388 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53388 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53388 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Monomeric bovine Pi3K-SH3 at pH 6.8, 25 mM sodium phosphate, 20 degC' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 53388 1 2 '3D HNCA' . . . 53388 1 3 '3D HNCO' . . . 53388 1 4 '2D 1H-15N HSQC' . . . 53388 1 5 '2D 1H-15N HSQC' . . . 53388 1 6 '2D 13C-13C TOCSY' . . . 53388 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53388 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET C C 13 176.276 . . . . . . . . 3 M C . 53388 1 2 . 1 . 1 3 3 MET CA C 13 55.657 . . . . . . . . 3 M CA . 53388 1 3 . 1 . 1 3 3 MET CB C 13 32.810 . . . . . . . . 3 M CB . 53388 1 4 . 1 . 1 4 4 SER H H 1 8.340 . . . . . . . . 4 S HN . 53388 1 5 . 1 . 1 4 4 SER C C 13 173.998 . . . . . . . . 4 S C . 53388 1 6 . 1 . 1 4 4 SER CA C 13 58.430 . . . . . . . . 4 S CA . 53388 1 7 . 1 . 1 4 4 SER CB C 13 63.961 . . . . . . . . 4 S CB . 53388 1 8 . 1 . 1 4 4 SER N N 15 117.089 . . . . . . . . 4 S N . 53388 1 9 . 1 . 1 5 5 ALA H H 1 8.370 . . . . . . . . 5 A HN . 53388 1 10 . 1 . 1 5 5 ALA C C 13 177.087 . . . . . . . . 5 A C . 53388 1 11 . 1 . 1 5 5 ALA CA C 13 52.126 . . . . . . . . 5 A CA . 53388 1 12 . 1 . 1 5 5 ALA CB C 13 19.818 . . . . . . . . 5 A CB . 53388 1 13 . 1 . 1 5 5 ALA N N 15 125.810 . . . . . . . . 5 A N . 53388 1 14 . 1 . 1 6 6 GLU H H 1 8.228 . . . . . . . . 6 E HN . 53388 1 15 . 1 . 1 6 6 GLU C C 13 175.945 . . . . . . . . 6 E C . 53388 1 16 . 1 . 1 6 6 GLU CA C 13 56.201 . . . . . . . . 6 E CA . 53388 1 17 . 1 . 1 6 6 GLU CB C 13 31.407 . . . . . . . . 6 E CB . 53388 1 18 . 1 . 1 6 6 GLU CG C 13 36.529 . . . . . . . . 6 E CG . 53388 1 19 . 1 . 1 6 6 GLU N N 15 119.435 . . . . . . . . 6 E N . 53388 1 20 . 1 . 1 7 7 GLY H H 1 8.497 . . . . . . . . 7 G HN . 53388 1 21 . 1 . 1 7 7 GLY C C 13 171.903 . . . . . . . . 7 G C . 53388 1 22 . 1 . 1 7 7 GLY CA C 13 44.843 . . . . . . . . 7 G CA . 53388 1 23 . 1 . 1 7 7 GLY N N 15 109.350 . . . . . . . . 7 G N . 53388 1 24 . 1 . 1 8 8 TYR H H 1 9.353 . . . . . . . . 8 Y HN . 53388 1 25 . 1 . 1 8 8 TYR C C 13 174.295 . . . . . . . . 8 Y C . 53388 1 26 . 1 . 1 8 8 TYR CA C 13 56.483 . . . . . . . . 8 Y CA . 53388 1 27 . 1 . 1 8 8 TYR CB C 13 41.851 . . . . . . . . 8 Y CB . 53388 1 28 . 1 . 1 8 8 TYR N N 15 121.809 . . . . . . . . 8 Y N . 53388 1 29 . 1 . 1 9 9 GLN H H 1 9.150 . . . . . . . . 9 Q HN . 53388 1 30 . 1 . 1 9 9 GLN C C 13 174.019 . . . . . . . . 9 Q C . 53388 1 31 . 1 . 1 9 9 GLN CA C 13 54.676 . . . . . . . . 9 Q CA . 53388 1 32 . 1 . 1 9 9 GLN CB C 13 32.742 . . . . . . . . 9 Q CB . 53388 1 33 . 1 . 1 9 9 GLN CG C 13 35.797 . . . . . . . . 9 Q CG . 53388 1 34 . 1 . 1 9 9 GLN N N 15 119.652 . . . . . . . . 9 Q N . 53388 1 35 . 1 . 1 10 10 TYR H H 1 9.315 . . . . . . . . 10 Y HN . 53388 1 36 . 1 . 1 10 10 TYR C C 13 173.383 . . . . . . . . 10 Y C . 53388 1 37 . 1 . 1 10 10 TYR CA C 13 56.476 . . . . . . . . 10 Y CA . 53388 1 38 . 1 . 1 10 10 TYR CB C 13 43.457 . . . . . . . . 10 Y CB . 53388 1 39 . 1 . 1 10 10 TYR N N 15 119.741 . . . . . . . . 10 Y N . 53388 1 40 . 1 . 1 11 11 ARG H H 1 9.226 . . . . . . . . 11 R HN . 53388 1 41 . 1 . 1 11 11 ARG C C 13 176.873 . . . . . . . . 11 R C . 53388 1 42 . 1 . 1 11 11 ARG CA C 13 53.061 . . . . . . . . 11 R CA . 53388 1 43 . 1 . 1 11 11 ARG CB C 13 34.456 . . . . . . . . 11 R CB . 53388 1 44 . 1 . 1 11 11 ARG CG C 13 27.108 . . . . . . . . 11 R CG . 53388 1 45 . 1 . 1 11 11 ARG CD C 13 43.382 . . . . . . . . 11 R CD . 53388 1 46 . 1 . 1 11 11 ARG N N 15 120.495 . . . . . . . . 11 R N . 53388 1 47 . 1 . 1 12 12 ALA H H 1 9.190 . . . . . . . . 12 A HN . 53388 1 48 . 1 . 1 12 12 ALA C C 13 177.847 . . . . . . . . 12 A C . 53388 1 49 . 1 . 1 12 12 ALA CA C 13 52.903 . . . . . . . . 12 A CA . 53388 1 50 . 1 . 1 12 12 ALA CB C 13 19.204 . . . . . . . . 12 A CB . 53388 1 51 . 1 . 1 12 12 ALA N N 15 127.806 . . . . . . . . 12 A N . 53388 1 52 . 1 . 1 13 13 LEU H H 1 9.289 . . . . . . . . 13 L HN . 53388 1 53 . 1 . 1 13 13 LEU C C 13 174.872 . . . . . . . . 13 L C . 53388 1 54 . 1 . 1 13 13 LEU CA C 13 55.110 . . . . . . . . 13 L CA . 53388 1 55 . 1 . 1 13 13 LEU CB C 13 44.049 . . . . . . . . 13 L CB . 53388 1 56 . 1 . 1 13 13 LEU CG C 13 26.716 . . . . . . . . 13 L CG . 53388 1 57 . 1 . 1 13 13 LEU CD1 C 13 25.603 . . . . . . . . 13 L CD1 . 53388 1 58 . 1 . 1 13 13 LEU CD2 C 13 22.254 . . . . . . . . 13 L CD2 . 53388 1 59 . 1 . 1 13 13 LEU N N 15 125.775 . . . . . . . . 13 L N . 53388 1 60 . 1 . 1 14 14 TYR H H 1 7.148 . . . . . . . . 14 Y HN . 53388 1 61 . 1 . 1 14 14 TYR C C 13 173.429 . . . . . . . . 14 Y C . 53388 1 62 . 1 . 1 14 14 TYR CA C 13 54.062 . . . . . . . . 14 Y CA . 53388 1 63 . 1 . 1 14 14 TYR CB C 13 42.467 . . . . . . . . 14 Y CB . 53388 1 64 . 1 . 1 14 14 TYR N N 15 112.227 . . . . . . . . 14 Y N . 53388 1 65 . 1 . 1 15 15 ASP H H 1 8.141 . . . . . . . . 15 D HN . 53388 1 66 . 1 . 1 15 15 ASP C C 13 175.646 . . . . . . . . 15 D C . 53388 1 67 . 1 . 1 15 15 ASP CA C 13 54.298 . . . . . . . . 15 D CA . 53388 1 68 . 1 . 1 15 15 ASP CB C 13 41.652 . . . . . . . . 15 D CB . 53388 1 69 . 1 . 1 15 15 ASP N N 15 117.548 . . . . . . . . 15 D N . 53388 1 70 . 1 . 1 16 16 TYR H H 1 8.710 . . . . . . . . 16 Y HN . 53388 1 71 . 1 . 1 16 16 TYR C C 13 173.777 . . . . . . . . 16 Y C . 53388 1 72 . 1 . 1 16 16 TYR CA C 13 57.419 . . . . . . . . 16 Y CA . 53388 1 73 . 1 . 1 16 16 TYR CB C 13 42.201 . . . . . . . . 16 Y CB . 53388 1 74 . 1 . 1 16 16 TYR N N 15 121.883 . . . . . . . . 16 Y N . 53388 1 75 . 1 . 1 17 17 LYS H H 1 7.607 . . . . . . . . 17 K HN . 53388 1 76 . 1 . 1 17 17 LYS C C 13 174.124 . . . . . . . . 17 K C . 53388 1 77 . 1 . 1 17 17 LYS CA C 13 53.479 . . . . . . . . 17 K CA . 53388 1 78 . 1 . 1 17 17 LYS CB C 13 32.668 . . . . . . . . 17 K CB . 53388 1 79 . 1 . 1 17 17 LYS CG C 13 24.24 . . . . . . . . 17 K CG . 53388 1 80 . 1 . 1 17 17 LYS CD C 13 28.761 . . . . . . . . 17 K CD . 53388 1 81 . 1 . 1 17 17 LYS CE C 13 42.136 . . . . . . . . 17 K CE . 53388 1 82 . 1 . 1 17 17 LYS N N 15 129.801 . . . . . . . . 17 K N . 53388 1 83 . 1 . 1 18 18 LYS H H 1 8.339 . . . . . . . . 18 K HN . 53388 1 84 . 1 . 1 18 18 LYS C C 13 176.418 . . . . . . . . 18 K C . 53388 1 85 . 1 . 1 18 18 LYS CA C 13 57.332 . . . . . . . . 18 K CA . 53388 1 86 . 1 . 1 18 18 LYS CB C 13 33.016 . . . . . . . . 18 K CB . 53388 1 87 . 1 . 1 18 18 LYS CG C 13 23.259 . . . . . . . . 18 K CG . 53388 1 88 . 1 . 1 18 18 LYS CD C 13 29.782 . . . . . . . . 18 K CD . 53388 1 89 . 1 . 1 18 18 LYS CE C 13 42.284 . . . . . . . . 18 K CE . 53388 1 90 . 1 . 1 18 18 LYS N N 15 123.062 . . . . . . . . 18 K N . 53388 1 91 . 1 . 1 19 19 GLU H H 1 9.287 . . . . . . . . 19 E HN . 53388 1 92 . 1 . 1 19 19 GLU C C 13 176.170 . . . . . . . . 19 E C . 53388 1 93 . 1 . 1 19 19 GLU CA C 13 56.384 . . . . . . . . 19 E CA . 53388 1 94 . 1 . 1 19 19 GLU CB C 13 32.532 . . . . . . . . 19 E CB . 53388 1 95 . 1 . 1 19 19 GLU CG C 13 36.257 . . . . . . . . 19 E CG . 53388 1 96 . 1 . 1 19 19 GLU N N 15 122.999 . . . . . . . . 19 E N . 53388 1 97 . 1 . 1 20 20 ARG H H 1 8.818 . . . . . . . . 20 R HN . 53388 1 98 . 1 . 1 20 20 ARG C C 13 176.765 . . . . . . . . 20 R C . 53388 1 99 . 1 . 1 20 20 ARG CA C 13 54.429 . . . . . . . . 20 R CA . 53388 1 100 . 1 . 1 20 20 ARG CB C 13 31.627 . . . . . . . . 20 R CB . 53388 1 101 . 1 . 1 20 20 ARG CG C 13 26.977 . . . . . . . . 20 R CG . 53388 1 102 . 1 . 1 20 20 ARG CD C 13 43.346 . . . . . . . . 20 R CD . 53388 1 103 . 1 . 1 20 20 ARG N N 15 122.069 . . . . . . . . 20 R N . 53388 1 104 . 1 . 1 21 21 GLU H H 1 8.563 . . . . . . . . 21 E HN . 53388 1 105 . 1 . 1 21 21 GLU C C 13 178.339 . . . . . . . . 21 E C . 53388 1 106 . 1 . 1 21 21 GLU CA C 13 59.613 . . . . . . . . 21 E CA . 53388 1 107 . 1 . 1 21 21 GLU CB C 13 29.820 . . . . . . . . 21 E CB . 53388 1 108 . 1 . 1 21 21 GLU CG C 13 36.450 . . . . . . . . 21 E CG . 53388 1 109 . 1 . 1 21 21 GLU N N 15 120.744 . . . . . . . . 21 E N . 53388 1 110 . 1 . 1 22 22 GLU H H 1 8.782 . . . . . . . . 22 E HN . 53388 1 111 . 1 . 1 22 22 GLU C C 13 176.770 . . . . . . . . 22 E C . 53388 1 112 . 1 . 1 22 22 GLU CA C 13 57.324 . . . . . . . . 22 E CA . 53388 1 113 . 1 . 1 22 22 GLU CB C 13 29.752 . . . . . . . . 22 E CB . 53388 1 114 . 1 . 1 22 22 GLU CG C 13 36.771 . . . . . . . . 22 E CG . 53388 1 115 . 1 . 1 22 22 GLU N N 15 115.272 . . . . . . . . 22 E N . 53388 1 116 . 1 . 1 23 23 ASP H H 1 8.050 . . . . . . . . 23 D HN . 53388 1 117 . 1 . 1 23 23 ASP C C 13 175.516 . . . . . . . . 23 D C . 53388 1 118 . 1 . 1 23 23 ASP CA C 13 53.618 . . . . . . . . 23 D CA . 53388 1 119 . 1 . 1 23 23 ASP CB C 13 42.811 . . . . . . . . 23 D CB . 53388 1 120 . 1 . 1 23 23 ASP N N 15 119.704 . . . . . . . . 23 D N . 53388 1 121 . 1 . 1 24 24 ILE H H 1 8.163 . . . . . . . . 24 I HN . 53388 1 122 . 1 . 1 24 24 ILE C C 13 173.979 . . . . . . . . 24 I C . 53388 1 123 . 1 . 1 24 24 ILE CA C 13 59.371 . . . . . . . . 24 I CA . 53388 1 124 . 1 . 1 24 24 ILE CB C 13 41.512 . . . . . . . . 24 I CB . 53388 1 125 . 1 . 1 24 24 ILE CG1 C 13 24.819 . . . . . . . . 24 I CG1 . 53388 1 126 . 1 . 1 24 24 ILE CG2 C 13 19.413 . . . . . . . . 24 I CG2 . 53388 1 127 . 1 . 1 24 24 ILE CD1 C 13 15.090 . . . . . . . . 24 I CD1 . 53388 1 128 . 1 . 1 24 24 ILE N N 15 111.233 . . . . . . . . 24 I N . 53388 1 129 . 1 . 1 25 25 ASP H H 1 7.997 . . . . . . . . 25 D HN . 53388 1 130 . 1 . 1 25 25 ASP C C 13 177.700 . . . . . . . . 25 D C . 53388 1 131 . 1 . 1 25 25 ASP CA C 13 54.275 . . . . . . . . 25 D CA . 53388 1 132 . 1 . 1 25 25 ASP CB C 13 42.174 . . . . . . . . 25 D CB . 53388 1 133 . 1 . 1 25 25 ASP N N 15 115.676 . . . . . . . . 25 D N . 53388 1 134 . 1 . 1 26 26 LEU H H 1 9.146 . . . . . . . . 26 L HN . 53388 1 135 . 1 . 1 26 26 LEU C C 13 176.466 . . . . . . . . 26 L C . 53388 1 136 . 1 . 1 26 26 LEU CA C 13 53.206 . . . . . . . . 26 L CA . 53388 1 137 . 1 . 1 26 26 LEU CB C 13 45.278 . . . . . . . . 26 L CB . 53388 1 138 . 1 . 1 26 26 LEU CD1 C 13 24.355 . . . . . . . . 26 L CD1 . 53388 1 139 . 1 . 1 26 26 LEU N N 15 116.083 . . . . . . . . 26 L N . 53388 1 140 . 1 . 1 27 27 HIS H H 1 8.124 . . . . . . . . 27 H HN . 53388 1 141 . 1 . 1 27 27 HIS C C 13 173.649 . . . . . . . . 27 H C . 53388 1 142 . 1 . 1 27 27 HIS CA C 13 52.697 . . . . . . . . 27 H CA . 53388 1 143 . 1 . 1 27 27 HIS CB C 13 29.154 . . . . . . . . 27 H CB . 53388 1 144 . 1 . 1 27 27 HIS N N 15 121.494 . . . . . . . . 27 H N . 53388 1 145 . 1 . 1 28 28 LEU H H 1 8.528 . . . . . . . . 28 L HN . 53388 1 146 . 1 . 1 28 28 LEU C C 13 177.955 . . . . . . . . 28 L C . 53388 1 147 . 1 . 1 28 28 LEU CA C 13 57.884 . . . . . . . . 28 L CA . 53388 1 148 . 1 . 1 28 28 LEU CB C 13 42.171 . . . . . . . . 28 L CB . 53388 1 149 . 1 . 1 28 28 LEU CG C 13 27.218 . . . . . . . . 28 L CG . 53388 1 150 . 1 . 1 28 28 LEU CD2 C 13 25.117 . . . . . . . . 28 L CD2 . 53388 1 151 . 1 . 1 28 28 LEU N N 15 124.362 . . . . . . . . 28 L N . 53388 1 152 . 1 . 1 29 29 GLY H H 1 8.985 . . . . . . . . 29 G HN . 53388 1 153 . 1 . 1 29 29 GLY C C 13 174.369 . . . . . . . . 29 G C . 53388 1 154 . 1 . 1 29 29 GLY CA C 13 45.140 . . . . . . . . 29 G CA . 53388 1 155 . 1 . 1 29 29 GLY N N 15 115.893 . . . . . . . . 29 G N . 53388 1 156 . 1 . 1 30 30 ASP H H 1 8.789 . . . . . . . . 30 D HN . 53388 1 157 . 1 . 1 30 30 ASP C C 13 174.520 . . . . . . . . 30 D C . 53388 1 158 . 1 . 1 30 30 ASP CA C 13 55.289 . . . . . . . . 30 D CA . 53388 1 159 . 1 . 1 30 30 ASP CB C 13 41.434 . . . . . . . . 30 D CB . 53388 1 160 . 1 . 1 30 30 ASP N N 15 123.521 . . . . . . . . 30 D N . 53388 1 161 . 1 . 1 31 31 ILE H H 1 8.003 . . . . . . . . 31 I HN . 53388 1 162 . 1 . 1 31 31 ILE C C 13 174.835 . . . . . . . . 31 I C . 53388 1 163 . 1 . 1 31 31 ILE CA C 13 57.941 . . . . . . . . 31 I CA . 53388 1 164 . 1 . 1 31 31 ILE CB C 13 38.222 . . . . . . . . 31 I CB . 53388 1 165 . 1 . 1 31 31 ILE CG1 C 13 26.612 . . . . . . . . 31 I CG1 . 53388 1 166 . 1 . 1 31 31 ILE CG2 C 13 17.389 . . . . . . . . 31 I CG2 . 53388 1 167 . 1 . 1 31 31 ILE CD1 C 13 10.234 . . . . . . . . 31 I CD1 . 53388 1 168 . 1 . 1 31 31 ILE N N 15 120.449 . . . . . . . . 31 I N . 53388 1 169 . 1 . 1 32 32 LEU H H 1 9.342 . . . . . . . . 32 L HN . 53388 1 170 . 1 . 1 32 32 LEU C C 13 176.583 . . . . . . . . 32 L C . 53388 1 171 . 1 . 1 32 32 LEU CA C 13 53.347 . . . . . . . . 32 L CA . 53388 1 172 . 1 . 1 32 32 LEU CB C 13 45.210 . . . . . . . . 32 L CB . 53388 1 173 . 1 . 1 32 32 LEU CG C 13 27.807 . . . . . . . . 32 L CG . 53388 1 174 . 1 . 1 32 32 LEU CD1 C 13 25.113 . . . . . . . . 32 L CD1 . 53388 1 175 . 1 . 1 32 32 LEU CD2 C 13 25.650 . . . . . . . . 32 L CD2 . 53388 1 176 . 1 . 1 32 32 LEU N N 15 125.746 . . . . . . . . 32 L N . 53388 1 177 . 1 . 1 33 33 THR H H 1 9.612 . . . . . . . . 33 T HN . 53388 1 178 . 1 . 1 33 33 THR C C 13 175.071 . . . . . . . . 33 T C . 53388 1 179 . 1 . 1 33 33 THR CA C 13 62.036 . . . . . . . . 33 T CA . 53388 1 180 . 1 . 1 33 33 THR CB C 13 70.595 . . . . . . . . 33 T CB . 53388 1 181 . 1 . 1 33 33 THR CG2 C 13 23.979 . . . . . . . . 33 T CG2 . 53388 1 182 . 1 . 1 33 33 THR N N 15 117.731 . . . . . . . . 33 T N . 53388 1 183 . 1 . 1 34 34 VAL H H 1 10.029 . . . . . . . . 34 V HN . 53388 1 184 . 1 . 1 34 34 VAL C C 13 174.946 . . . . . . . . 34 V C . 53388 1 185 . 1 . 1 34 34 VAL CA C 13 60.906 . . . . . . . . 34 V CA . 53388 1 186 . 1 . 1 34 34 VAL CB C 13 36.183 . . . . . . . . 34 V CB . 53388 1 187 . 1 . 1 34 34 VAL CG1 C 13 22.391 . . . . . . . . 34 V CG1 . 53388 1 188 . 1 . 1 34 34 VAL CG2 C 13 20.259 . . . . . . . . 34 V CG2 . 53388 1 189 . 1 . 1 34 34 VAL N N 15 131.282 . . . . . . . . 34 V N . 53388 1 190 . 1 . 1 35 35 ASN H H 1 9.503 . . . . . . . . 35 N HN . 53388 1 191 . 1 . 1 35 35 ASN C C 13 176.688 . . . . . . . . 35 N C . 53388 1 192 . 1 . 1 35 35 ASN CA C 13 53.969 . . . . . . . . 35 N CA . 53388 1 193 . 1 . 1 35 35 ASN CB C 13 39.303 . . . . . . . . 35 N CB . 53388 1 194 . 1 . 1 35 35 ASN N N 15 126.924 . . . . . . . . 35 N N . 53388 1 195 . 1 . 1 36 36 LYS H H 1 9.002 . . . . . . . . 36 K HN . 53388 1 196 . 1 . 1 36 36 LYS C C 13 178.167 . . . . . . . . 36 K C . 53388 1 197 . 1 . 1 36 36 LYS CA C 13 60.121 . . . . . . . . 36 K CA . 53388 1 198 . 1 . 1 36 36 LYS CB C 13 32.994 . . . . . . . . 36 K CB . 53388 1 199 . 1 . 1 36 36 LYS CG C 13 25.140 . . . . . . . . 36 K CG . 53388 1 200 . 1 . 1 36 36 LYS CD C 13 29.832 . . . . . . . . 36 K CD . 53388 1 201 . 1 . 1 36 36 LYS CE C 13 42.341 . . . . . . . . 36 K CE . 53388 1 202 . 1 . 1 36 36 LYS N N 15 127.048 . . . . . . . . 36 K N . 53388 1 203 . 1 . 1 37 37 GLY H H 1 8.971 . . . . . . . . 37 G HN . 53388 1 204 . 1 . 1 37 37 GLY C C 13 176.506 . . . . . . . . 37 G C . 53388 1 205 . 1 . 1 37 37 GLY CA C 13 46.792 . . . . . . . . 37 G CA . 53388 1 206 . 1 . 1 37 37 GLY N N 15 104.902 . . . . . . . . 37 G N . 53388 1 207 . 1 . 1 38 38 SER H H 1 7.831 . . . . . . . . 38 S HN . 53388 1 208 . 1 . 1 38 38 SER C C 13 175.750 . . . . . . . . 38 S C . 53388 1 209 . 1 . 1 38 38 SER CA C 13 60.995 . . . . . . . . 38 S CA . 53388 1 210 . 1 . 1 38 38 SER CB C 13 62.985 . . . . . . . . 38 S CB . 53388 1 211 . 1 . 1 38 38 SER N N 15 117.005 . . . . . . . . 38 S N . 53388 1 212 . 1 . 1 39 39 LEU H H 1 7.391 . . . . . . . . 39 L HN . 53388 1 213 . 1 . 1 39 39 LEU C C 13 179.479 . . . . . . . . 39 L C . 53388 1 214 . 1 . 1 39 39 LEU CA C 13 57.470 . . . . . . . . 39 L CA . 53388 1 215 . 1 . 1 39 39 LEU CB C 13 41.205 . . . . . . . . 39 L CB . 53388 1 216 . 1 . 1 39 39 LEU CG C 13 27.320 . . . . . . . . 39 L CG . 53388 1 217 . 1 . 1 39 39 LEU CD1 C 13 25.721 . . . . . . . . 39 L CD1 . 53388 1 218 . 1 . 1 39 39 LEU CD2 C 13 23.388 . . . . . . . . 39 L CD2 . 53388 1 219 . 1 . 1 39 39 LEU N N 15 121.556 . . . . . . . . 39 L N . 53388 1 220 . 1 . 1 40 40 VAL H H 1 8.192 . . . . . . . . 40 V HN . 53388 1 221 . 1 . 1 40 40 VAL C C 13 180.162 . . . . . . . . 40 V C . 53388 1 222 . 1 . 1 40 40 VAL CA C 13 65.899 . . . . . . . . 40 V CA . 53388 1 223 . 1 . 1 40 40 VAL CB C 13 32.112 . . . . . . . . 40 V CB . 53388 1 224 . 1 . 1 40 40 VAL CG1 C 13 22.602 . . . . . . . . 40 V CG1 . 53388 1 225 . 1 . 1 40 40 VAL CG2 C 13 21.020 . . . . . . . . 40 V CG2 . 53388 1 226 . 1 . 1 40 40 VAL N N 15 120.539 . . . . . . . . 40 V N . 53388 1 227 . 1 . 1 41 41 ALA H H 1 7.880 . . . . . . . . 41 A HN . 53388 1 228 . 1 . 1 41 41 ALA C C 13 178.902 . . . . . . . . 41 A C . 53388 1 229 . 1 . 1 41 41 ALA CA C 13 54.452 . . . . . . . . 41 A CA . 53388 1 230 . 1 . 1 41 41 ALA CB C 13 18.356 . . . . . . . . 41 A CB . 53388 1 231 . 1 . 1 41 41 ALA N N 15 122.386 . . . . . . . . 41 A N . 53388 1 232 . 1 . 1 42 42 LEU H H 1 7.251 . . . . . . . . 42 L HN . 53388 1 233 . 1 . 1 42 42 LEU C C 13 177.181 . . . . . . . . 42 L C . 53388 1 234 . 1 . 1 42 42 LEU CA C 13 54.973 . . . . . . . . 42 L CA . 53388 1 235 . 1 . 1 42 42 LEU CB C 13 42.928 . . . . . . . . 42 L CB . 53388 1 236 . 1 . 1 42 42 LEU CG C 13 26.754 . . . . . . . . 42 L CG . 53388 1 237 . 1 . 1 42 42 LEU CD1 C 13 25.646 . . . . . . . . 42 L CD1 . 53388 1 238 . 1 . 1 42 42 LEU CD2 C 13 22.381 . . . . . . . . 42 L CD2 . 53388 1 239 . 1 . 1 42 42 LEU N N 15 116.698 . . . . . . . . 42 L N . 53388 1 240 . 1 . 1 43 43 GLY H H 1 7.887 . . . . . . . . 43 G HN . 53388 1 241 . 1 . 1 43 43 GLY C C 13 174.518 . . . . . . . . 43 G C . 53388 1 242 . 1 . 1 43 43 GLY CA C 13 45.221 . . . . . . . . 43 G CA . 53388 1 243 . 1 . 1 43 43 GLY N N 15 106.497 . . . . . . . . 43 G N . 53388 1 244 . 1 . 1 44 44 PHE H H 1 7.623 . . . . . . . . 44 F HN . 53388 1 245 . 1 . 1 44 44 PHE C C 13 175.519 . . . . . . . . 44 F C . 53388 1 246 . 1 . 1 44 44 PHE CA C 13 57.528 . . . . . . . . 44 F CA . 53388 1 247 . 1 . 1 44 44 PHE CB C 13 39.551 . . . . . . . . 44 F CB . 53388 1 248 . 1 . 1 44 44 PHE N N 15 119.597 . . . . . . . . 44 F N . 53388 1 249 . 1 . 1 45 45 SER H H 1 8.681 . . . . . . . . 45 S HN . 53388 1 250 . 1 . 1 45 45 SER C C 13 174.408 . . . . . . . . 45 S C . 53388 1 251 . 1 . 1 45 45 SER CA C 13 57.399 . . . . . . . . 45 S CA . 53388 1 252 . 1 . 1 45 45 SER CB C 13 65.039 . . . . . . . . 45 S CB . 53388 1 253 . 1 . 1 45 45 SER N N 15 117.566 . . . . . . . . 45 S N . 53388 1 254 . 1 . 1 46 46 ASP H H 1 8.570 . . . . . . . . 46 D HN . 53388 1 255 . 1 . 1 46 46 ASP C C 13 176.470 . . . . . . . . 46 D C . 53388 1 256 . 1 . 1 46 46 ASP CA C 13 56.480 . . . . . . . . 46 D CA . 53388 1 257 . 1 . 1 46 46 ASP CB C 13 40.788 . . . . . . . . 46 D CB . 53388 1 258 . 1 . 1 46 46 ASP CG C 13 180.147 . . . . . . . . 46 D CG . 53388 1 259 . 1 . 1 46 46 ASP N N 15 122.562 . . . . . . . . 46 D N . 53388 1 260 . 1 . 1 47 47 GLY H H 1 9.333 . . . . . . . . 47 G HN . 53388 1 261 . 1 . 1 47 47 GLY C C 13 176.850 . . . . . . . . 47 G C . 53388 1 262 . 1 . 1 47 47 GLY CA C 13 45.212 . . . . . . . . 47 G CA . 53388 1 263 . 1 . 1 47 47 GLY N N 15 115.991 . . . . . . . . 47 G N . 53388 1 264 . 1 . 1 48 48 GLN H H 1 8.160 . . . . . . . . 48 Q HN . 53388 1 265 . 1 . 1 48 48 GLN C C 13 176.758 . . . . . . . . 48 Q C . 53388 1 266 . 1 . 1 48 48 GLN CA C 13 58.088 . . . . . . . . 48 Q CA . 53388 1 267 . 1 . 1 48 48 GLN CB C 13 29.194 . . . . . . . . 48 Q CB . 53388 1 268 . 1 . 1 48 48 GLN CG C 13 35.036 . . . . . . . . 48 Q CG . 53388 1 269 . 1 . 1 48 48 GLN CD C 13 180.061 . . . . . . . . 48 Q CD . 53388 1 270 . 1 . 1 48 48 GLN N N 15 120.579 . . . . . . . . 48 Q N . 53388 1 271 . 1 . 1 49 49 GLU H H 1 9.604 . . . . . . . . 49 E HN . 53388 1 272 . 1 . 1 49 49 GLU C C 13 175.600 . . . . . . . . 49 E C . 53388 1 273 . 1 . 1 49 49 GLU CA C 13 57.949 . . . . . . . . 49 E CA . 53388 1 274 . 1 . 1 49 49 GLU CB C 13 26.102 . . . . . . . . 49 E CB . 53388 1 275 . 1 . 1 49 49 GLU CG C 13 33.478 . . . . . . . . 49 E CG . 53388 1 276 . 1 . 1 49 49 GLU N N 15 117.898 . . . . . . . . 49 E N . 53388 1 277 . 1 . 1 50 50 ALA H H 1 6.593 . . . . . . . . 50 A HN . 53388 1 278 . 1 . 1 50 50 ALA C C 13 176.000 . . . . . . . . 50 A C . 53388 1 279 . 1 . 1 50 50 ALA CA C 13 51.668 . . . . . . . . 50 A CA . 53388 1 280 . 1 . 1 50 50 ALA CB C 13 19.088 . . . . . . . . 50 A CB . 53388 1 281 . 1 . 1 50 50 ALA N N 15 120.050 . . . . . . . . 50 A N . 53388 1 282 . 1 . 1 51 51 LYS H H 1 7.503 . . . . . . . . 51 K HN . 53388 1 283 . 1 . 1 51 51 LYS CA C 13 53.393 . . . . . . . . 51 K CA . 53388 1 284 . 1 . 1 51 51 LYS CB C 13 32.383 . . . . . . . . 51 K CB . 53388 1 285 . 1 . 1 51 51 LYS CG C 13 24.087 . . . . . . . . 51 K CG . 53388 1 286 . 1 . 1 51 51 LYS CD C 13 29.247 . . . . . . . . 51 K CD . 53388 1 287 . 1 . 1 51 51 LYS CE C 13 42.092 . . . . . . . . 51 K CE . 53388 1 288 . 1 . 1 51 51 LYS N N 15 118.635 . . . . . . . . 51 K N . 53388 1 289 . 1 . 1 52 52 PRO C C 13 176.878 . . . . . . . . 52 P C . 53388 1 290 . 1 . 1 52 52 PRO CA C 13 64.763 . . . . . . . . 52 P CA . 53388 1 291 . 1 . 1 52 52 PRO CB C 13 30.660 . . . . . . . . 52 P CB . 53388 1 292 . 1 . 1 52 52 PRO CG C 13 27.847 . . . . . . . . 52 P CG . 53388 1 293 . 1 . 1 52 52 PRO CD C 13 50.929 . . . . . . . . 52 P CD . 53388 1 294 . 1 . 1 53 53 GLU H H 1 10.039 . . . . . . . . 53 E HN . 53388 1 295 . 1 . 1 53 53 GLU C C 13 177.248 . . . . . . . . 53 E C . 53388 1 296 . 1 . 1 53 53 GLU CA C 13 58.462 . . . . . . . . 53 E CA . 53388 1 297 . 1 . 1 53 53 GLU CB C 13 27.468 . . . . . . . . 53 E CB . 53388 1 298 . 1 . 1 53 53 GLU CG C 13 35.334 . . . . . . . . 53 E CG . 53388 1 299 . 1 . 1 53 53 GLU N N 15 119.348 . . . . . . . . 53 E N . 53388 1 300 . 1 . 1 54 54 GLU H H 1 7.637 . . . . . . . . 54 E HN . 53388 1 301 . 1 . 1 54 54 GLU C C 13 176.878 . . . . . . . . 54 E C . 53388 1 302 . 1 . 1 54 54 GLU CA C 13 56.663 . . . . . . . . 54 E CA . 53388 1 303 . 1 . 1 54 54 GLU CB C 13 30.155 . . . . . . . . 54 E CB . 53388 1 304 . 1 . 1 54 54 GLU CG C 13 36.930 . . . . . . . . 54 E CG . 53388 1 305 . 1 . 1 54 54 GLU N N 15 119.620 . . . . . . . . 54 E N . 53388 1 306 . 1 . 1 55 55 ILE H H 1 7.315 . . . . . . . . 55 I HN . 53388 1 307 . 1 . 1 55 55 ILE C C 13 176.149 . . . . . . . . 55 I C . 53388 1 308 . 1 . 1 55 55 ILE CA C 13 62.827 . . . . . . . . 55 I CA . 53388 1 309 . 1 . 1 55 55 ILE CB C 13 38.321 . . . . . . . . 55 I CB . 53388 1 310 . 1 . 1 55 55 ILE CG1 C 13 27.024 . . . . . . . . 55 I CG1 . 53388 1 311 . 1 . 1 55 55 ILE CG2 C 13 17.012 . . . . . . . . 55 I CG2 . 53388 1 312 . 1 . 1 55 55 ILE CD1 C 13 13.207 . . . . . . . . 55 I CD1 . 53388 1 313 . 1 . 1 55 55 ILE N N 15 120.670 . . . . . . . . 55 I N . 53388 1 314 . 1 . 1 56 56 GLY H H 1 7.702 . . . . . . . . 56 G HN . 53388 1 315 . 1 . 1 56 56 GLY C C 13 173.769 . . . . . . . . 56 G C . 53388 1 316 . 1 . 1 56 56 GLY CA C 13 46.181 . . . . . . . . 56 G CA . 53388 1 317 . 1 . 1 56 56 GLY N N 15 108.890 . . . . . . . . 56 G N . 53388 1 318 . 1 . 1 57 57 TRP H H 1 8.146 . . . . . . . . 57 W HN . 53388 1 319 . 1 . 1 57 57 TRP C C 13 174.867 . . . . . . . . 57 W C . 53388 1 320 . 1 . 1 57 57 TRP CA C 13 57.855 . . . . . . . . 57 W CA . 53388 1 321 . 1 . 1 57 57 TRP CB C 13 30.566 . . . . . . . . 57 W CB . 53388 1 322 . 1 . 1 57 57 TRP N N 15 124.704 . . . . . . . . 57 W N . 53388 1 323 . 1 . 1 58 58 LEU H H 1 8.278 . . . . . . . . 58 L HN . 53388 1 324 . 1 . 1 58 58 LEU C C 13 173.671 . . . . . . . . 58 L C . 53388 1 325 . 1 . 1 58 58 LEU CA C 13 53.446 . . . . . . . . 58 L CA . 53388 1 326 . 1 . 1 58 58 LEU CB C 13 45.178 . . . . . . . . 58 L CB . 53388 1 327 . 1 . 1 58 58 LEU CG C 13 27.762 . . . . . . . . 58 L CG . 53388 1 328 . 1 . 1 58 58 LEU CD1 C 13 25.723 . . . . . . . . 58 L CD1 . 53388 1 329 . 1 . 1 58 58 LEU N N 15 123.651 . . . . . . . . 58 L N . 53388 1 330 . 1 . 1 59 59 ASN H H 1 7.880 . . . . . . . . 59 N HN . 53388 1 331 . 1 . 1 59 59 ASN C C 13 175.257 . . . . . . . . 59 N C . 53388 1 332 . 1 . 1 59 59 ASN CA C 13 52.998 . . . . . . . . 59 N CA . 53388 1 333 . 1 . 1 59 59 ASN CB C 13 42.819 . . . . . . . . 59 N CB . 53388 1 334 . 1 . 1 59 59 ASN CG C 13 178.275 . . . . . . . . 59 N CG . 53388 1 335 . 1 . 1 59 59 ASN N N 15 117.256 . . . . . . . . 59 N N . 53388 1 336 . 1 . 1 60 60 GLY H H 1 8.930 . . . . . . . . 60 G HN . 53388 1 337 . 1 . 1 60 60 GLY C C 13 169.514 . . . . . . . . 60 G C . 53388 1 338 . 1 . 1 60 60 GLY CA C 13 46.606 . . . . . . . . 60 G CA . 53388 1 339 . 1 . 1 60 60 GLY N N 15 111.548 . . . . . . . . 60 G N . 53388 1 340 . 1 . 1 61 61 TYR H H 1 8.790 . . . . . . . . 61 Y HN . 53388 1 341 . 1 . 1 61 61 TYR C C 13 173.671 . . . . . . . . 61 Y C . 53388 1 342 . 1 . 1 61 61 TYR CA C 13 55.980 . . . . . . . . 61 Y CA . 53388 1 343 . 1 . 1 61 61 TYR CB C 13 41.997 . . . . . . . . 61 Y CB . 53388 1 344 . 1 . 1 61 61 TYR N N 15 120.689 . . . . . . . . 61 Y N . 53388 1 345 . 1 . 1 62 62 ASN H H 1 9.080 . . . . . . . . 62 N HN . 53388 1 346 . 1 . 1 62 62 ASN C C 13 174.086 . . . . . . . . 62 N C . 53388 1 347 . 1 . 1 62 62 ASN CA C 13 52.458 . . . . . . . . 62 N CA . 53388 1 348 . 1 . 1 62 62 ASN CB C 13 39.267 . . . . . . . . 62 N CB . 53388 1 349 . 1 . 1 62 62 ASN N N 15 126.503 . . . . . . . . 62 N N . 53388 1 350 . 1 . 1 63 63 GLU H H 1 9.349 . . . . . . . . 63 E HN . 53388 1 351 . 1 . 1 63 63 GLU C C 13 178.850 . . . . . . . . 63 E C . 53388 1 352 . 1 . 1 63 63 GLU CA C 13 57.896 . . . . . . . . 63 E CA . 53388 1 353 . 1 . 1 63 63 GLU CB C 13 29.349 . . . . . . . . 63 E CB . 53388 1 354 . 1 . 1 63 63 GLU CG C 13 35.330 . . . . . . . . 63 E CG . 53388 1 355 . 1 . 1 63 63 GLU CD C 13 177.268 . . . . . . . . 63 E CD . 53388 1 356 . 1 . 1 63 63 GLU N N 15 125.716 . . . . . . . . 63 E N . 53388 1 357 . 1 . 1 64 64 THR H H 1 8.241 . . . . . . . . 64 T HN . 53388 1 358 . 1 . 1 64 64 THR C C 13 176.095 . . . . . . . . 64 T C . 53388 1 359 . 1 . 1 64 64 THR CA C 13 66.045 . . . . . . . . 64 T CA . 53388 1 360 . 1 . 1 64 64 THR CB C 13 68.890 . . . . . . . . 64 T CB . 53388 1 361 . 1 . 1 64 64 THR CG2 C 13 22.962 . . . . . . . . 64 T CG2 . 53388 1 362 . 1 . 1 64 64 THR N N 15 116.090 . . . . . . . . 64 T N . 53388 1 363 . 1 . 1 65 65 THR H H 1 7.359 . . . . . . . . 65 T HN . 53388 1 364 . 1 . 1 65 65 THR C C 13 176.353 . . . . . . . . 65 T C . 53388 1 365 . 1 . 1 65 65 THR CA C 13 61.510 . . . . . . . . 65 T CA . 53388 1 366 . 1 . 1 65 65 THR CB C 13 70.461 . . . . . . . . 65 T CB . 53388 1 367 . 1 . 1 65 65 THR CG2 C 13 21.817 . . . . . . . . 65 T CG2 . 53388 1 368 . 1 . 1 65 65 THR N N 15 109.172 . . . . . . . . 65 T N . 53388 1 369 . 1 . 1 66 66 GLY H H 1 8.690 . . . . . . . . 66 G HN . 53388 1 370 . 1 . 1 66 66 GLY C C 13 173.980 . . . . . . . . 66 G C . 53388 1 371 . 1 . 1 66 66 GLY CA C 13 45.636 . . . . . . . . 66 G CA . 53388 1 372 . 1 . 1 66 66 GLY N N 15 112.455 . . . . . . . . 66 G N . 53388 1 373 . 1 . 1 67 67 GLU H H 1 7.115 . . . . . . . . 67 E HN . 53388 1 374 . 1 . 1 67 67 GLU C C 13 173.751 . . . . . . . . 67 E C . 53388 1 375 . 1 . 1 67 67 GLU CA C 13 55.711 . . . . . . . . 67 E CA . 53388 1 376 . 1 . 1 67 67 GLU CB C 13 31.923 . . . . . . . . 67 E CB . 53388 1 377 . 1 . 1 67 67 GLU CG C 13 36.626 . . . . . . . . 67 E CG . 53388 1 378 . 1 . 1 67 67 GLU N N 15 118.565 . . . . . . . . 67 E N . 53388 1 379 . 1 . 1 68 68 ARG H H 1 8.655 . . . . . . . . 68 R HN . 53388 1 380 . 1 . 1 68 68 ARG C C 13 175.054 . . . . . . . . 68 R C . 53388 1 381 . 1 . 1 68 68 ARG CA C 13 54.125 . . . . . . . . 68 R CA . 53388 1 382 . 1 . 1 68 68 ARG CB C 13 34.107 . . . . . . . . 68 R CB . 53388 1 383 . 1 . 1 68 68 ARG CG C 13 27.536 . . . . . . . . 68 R CG . 53388 1 384 . 1 . 1 68 68 ARG CD C 13 43.419 . . . . . . . . 68 R CD . 53388 1 385 . 1 . 1 68 68 ARG CZ C 13 159.709 . . . . . . . . 68 R CZ . 53388 1 386 . 1 . 1 68 68 ARG N N 15 120.220 . . . . . . . . 68 R N . 53388 1 387 . 1 . 1 69 69 GLY H H 1 8.882 . . . . . . . . 69 G HN . 53388 1 388 . 1 . 1 69 69 GLY C C 13 171.039 . . . . . . . . 69 G C . 53388 1 389 . 1 . 1 69 69 GLY CA C 13 45.897 . . . . . . . . 69 G CA . 53388 1 390 . 1 . 1 69 69 GLY N N 15 111.688 . . . . . . . . 69 G N . 53388 1 391 . 1 . 1 70 70 ASP H H 1 8.505 . . . . . . . . 70 D HN . 53388 1 392 . 1 . 1 70 70 ASP C C 13 175.853 . . . . . . . . 70 D C . 53388 1 393 . 1 . 1 70 70 ASP CA C 13 53.644 . . . . . . . . 70 D CA . 53388 1 394 . 1 . 1 70 70 ASP CB C 13 42.175 . . . . . . . . 70 D CB . 53388 1 395 . 1 . 1 70 70 ASP CG C 13 179.035 . . . . . . . . 70 D CG . 53388 1 396 . 1 . 1 70 70 ASP N N 15 120.990 . . . . . . . . 70 D N . 53388 1 397 . 1 . 1 71 71 PHE H H 1 8.946 . . . . . . . . 71 F HN . 53388 1 398 . 1 . 1 71 71 PHE CA C 13 54.611 . . . . . . . . 71 F CA . 53388 1 399 . 1 . 1 71 71 PHE CB C 13 39.083 . . . . . . . . 71 F CB . 53388 1 400 . 1 . 1 71 71 PHE N N 15 113.653 . . . . . . . . 71 F N . 53388 1 401 . 1 . 1 72 72 PRO C C 13 178.593 . . . . . . . . 72 P C . 53388 1 402 . 1 . 1 72 72 PRO CA C 13 61.614 . . . . . . . . 72 P CA . 53388 1 403 . 1 . 1 72 72 PRO CB C 13 30.783 . . . . . . . . 72 P CB . 53388 1 404 . 1 . 1 72 72 PRO CG C 13 26.935 . . . . . . . . 72 P CG . 53388 1 405 . 1 . 1 72 72 PRO CD C 13 49.924 . . . . . . . . 72 P CD . 53388 1 406 . 1 . 1 73 73 GLY H H 1 7.936 . . . . . . . . 73 G HN . 53388 1 407 . 1 . 1 73 73 GLY C C 13 174.487 . . . . . . . . 73 G C . 53388 1 408 . 1 . 1 73 73 GLY CA C 13 46.522 . . . . . . . . 73 G CA . 53388 1 409 . 1 . 1 73 73 GLY N N 15 112.153 . . . . . . . . 73 G N . 53388 1 410 . 1 . 1 74 74 THR H H 1 7.301 . . . . . . . . 74 T HN . 53388 1 411 . 1 . 1 74 74 THR C C 13 175.677 . . . . . . . . 74 T C . 53388 1 412 . 1 . 1 74 74 THR CA C 13 62.713 . . . . . . . . 74 T CA . 53388 1 413 . 1 . 1 74 74 THR CB C 13 69.045 . . . . . . . . 74 T CB . 53388 1 414 . 1 . 1 74 74 THR CG2 C 13 22.945 . . . . . . . . 74 T CG2 . 53388 1 415 . 1 . 1 74 74 THR N N 15 104.038 . . . . . . . . 74 T N . 53388 1 416 . 1 . 1 75 75 TYR H H 1 7.524 . . . . . . . . 75 Y HN . 53388 1 417 . 1 . 1 75 75 TYR C C 13 174.971 . . . . . . . . 75 Y C . 53388 1 418 . 1 . 1 75 75 TYR CA C 13 58.101 . . . . . . . . 75 Y CA . 53388 1 419 . 1 . 1 75 75 TYR CB C 13 39.025 . . . . . . . . 75 Y CB . 53388 1 420 . 1 . 1 75 75 TYR N N 15 119.522 . . . . . . . . 75 Y N . 53388 1 421 . 1 . 1 76 76 VAL H H 1 7.320 . . . . . . . . 76 V HN . 53388 1 422 . 1 . 1 76 76 VAL C C 13 173.054 . . . . . . . . 76 V C . 53388 1 423 . 1 . 1 76 76 VAL CA C 13 58.613 . . . . . . . . 76 V CA . 53388 1 424 . 1 . 1 76 76 VAL CB C 13 36.501 . . . . . . . . 76 V CB . 53388 1 425 . 1 . 1 76 76 VAL CG1 C 13 21.047 . . . . . . . . 76 V CG1 . 53388 1 426 . 1 . 1 76 76 VAL CG2 C 13 19.138 . . . . . . . . 76 V CG2 . 53388 1 427 . 1 . 1 76 76 VAL N N 15 108.926 . . . . . . . . 76 V N . 53388 1 428 . 1 . 1 77 77 GLU H H 1 8.784 . . . . . . . . 77 E HN . 53388 1 429 . 1 . 1 77 77 GLU C C 13 175.715 . . . . . . . . 77 E C . 53388 1 430 . 1 . 1 77 77 GLU CA C 13 53.154 . . . . . . . . 77 E CA . 53388 1 431 . 1 . 1 77 77 GLU CB C 13 33.146 . . . . . . . . 77 E CB . 53388 1 432 . 1 . 1 77 77 GLU CG C 13 35.313 . . . . . . . . 77 E CG . 53388 1 433 . 1 . 1 77 77 GLU N N 15 115.382 . . . . . . . . 77 E N . 53388 1 434 . 1 . 1 78 78 TYR H H 1 9.472 . . . . . . . . 78 Y HN . 53388 1 435 . 1 . 1 78 78 TYR C C 13 176.032 . . . . . . . . 78 Y C . 53388 1 436 . 1 . 1 78 78 TYR CA C 13 58.611 . . . . . . . . 78 Y CA . 53388 1 437 . 1 . 1 78 78 TYR CB C 13 39.161 . . . . . . . . 78 Y CB . 53388 1 438 . 1 . 1 78 78 TYR N N 15 125.529 . . . . . . . . 78 Y N . 53388 1 439 . 1 . 1 79 79 ILE H H 1 8.344 . . . . . . . . 79 I HN . 53388 1 440 . 1 . 1 79 79 ILE CA C 13 60.990 . . . . . . . . 79 I CA . 53388 1 441 . 1 . 1 79 79 ILE CB C 13 38.881 . . . . . . . . 79 I CB . 53388 1 442 . 1 . 1 79 79 ILE CG1 C 13 27.133 . . . . . . . . 79 I CG1 . 53388 1 443 . 1 . 1 79 79 ILE CG2 C 13 17.509 . . . . . . . . 79 I CG2 . 53388 1 444 . 1 . 1 79 79 ILE CD1 C 13 12.959 . . . . . . . . 79 I CD1 . 53388 1 445 . 1 . 1 79 79 ILE N N 15 122.047 . . . . . . . . 79 I N . 53388 1 446 . 1 . 1 80 80 GLY CA C 13 44.882 . . . . . . . . 80 G CA . 53388 1 447 . 1 . 1 81 81 ARG H H 1 8.340 . . . . . . . . 81 R HN . 53388 1 448 . 1 . 1 81 81 ARG C C 13 176.750 . . . . . . . . 81 R C . 53388 1 449 . 1 . 1 81 81 ARG CA C 13 55.003 . . . . . . . . 81 R CA . 53388 1 450 . 1 . 1 81 81 ARG CB C 13 32.097 . . . . . . . . 81 R CB . 53388 1 451 . 1 . 1 81 81 ARG CG C 13 23.987 . . . . . . . . 81 R CG . 53388 1 452 . 1 . 1 81 81 ARG CD C 13 43.328 . . . . . . . . 81 R CD . 53388 1 453 . 1 . 1 81 81 ARG N N 15 117.092 . . . . . . . . 81 R N . 53388 1 454 . 1 . 1 82 82 LYS H H 1 8.333 . . . . . . . . 82 K HN . 53388 1 455 . 1 . 1 82 82 LYS C C 13 175.193 . . . . . . . . 82 K C . 53388 1 456 . 1 . 1 82 82 LYS CA C 13 55.765 . . . . . . . . 82 K CA . 53388 1 457 . 1 . 1 82 82 LYS CB C 13 34.511 . . . . . . . . 82 K CB . 53388 1 458 . 1 . 1 82 82 LYS CG C 13 24.742 . . . . . . . . 82 K CG . 53388 1 459 . 1 . 1 82 82 LYS CD C 13 29.590 . . . . . . . . 82 K CD . 53388 1 460 . 1 . 1 82 82 LYS CE C 13 42.168 . . . . . . . . 82 K CE . 53388 1 461 . 1 . 1 82 82 LYS N N 15 122.730 . . . . . . . . 82 K N . 53388 1 462 . 1 . 1 83 83 LYS H H 1 8.592 . . . . . . . . 83 K HN . 53388 1 463 . 1 . 1 83 83 LYS C C 13 176.190 . . . . . . . . 83 K C . 53388 1 464 . 1 . 1 83 83 LYS CA C 13 56.289 . . . . . . . . 83 K CA . 53388 1 465 . 1 . 1 83 83 LYS CB C 13 32.903 . . . . . . . . 83 K CB . 53388 1 466 . 1 . 1 83 83 LYS CG C 13 24.768 . . . . . . . . 83 K CG . 53388 1 467 . 1 . 1 83 83 LYS CD C 13 29.108 . . . . . . . . 83 K CD . 53388 1 468 . 1 . 1 83 83 LYS CE C 13 41.911 . . . . . . . . 83 K CE . 53388 1 469 . 1 . 1 83 83 LYS N N 15 127.430 . . . . . . . . 83 K N . 53388 1 470 . 1 . 1 84 84 ILE H H 1 8.423 . . . . . . . . 84 I HN . 53388 1 471 . 1 . 1 84 84 ILE C C 13 174.883 . . . . . . . . 84 I C . 53388 1 472 . 1 . 1 84 84 ILE CA C 13 60.963 . . . . . . . . 84 I CA . 53388 1 473 . 1 . 1 84 84 ILE CB C 13 39.122 . . . . . . . . 84 I CB . 53388 1 474 . 1 . 1 84 84 ILE CG1 C 13 26.561 . . . . . . . . 84 I CG1 . 53388 1 475 . 1 . 1 84 84 ILE CG2 C 13 17.852 . . . . . . . . 84 I CG2 . 53388 1 476 . 1 . 1 84 84 ILE CD1 C 13 13.816 . . . . . . . . 84 I CD1 . 53388 1 477 . 1 . 1 84 84 ILE N N 15 123.741 . . . . . . . . 84 I N . 53388 1 478 . 1 . 1 85 85 SER H H 1 8.304 . . . . . . . . 85 S HN . 53388 1 479 . 1 . 1 85 85 SER CA C 13 55.791 . . . . . . . . 85 S CA . 53388 1 480 . 1 . 1 85 85 SER CB C 13 64.593 . . . . . . . . 85 S CB . 53388 1 481 . 1 . 1 85 85 SER N N 15 121.323 . . . . . . . . 85 S N . 53388 1 482 . 1 . 1 86 86 PRO CA C 13 64.901 . . . . . . . . 86 P CA . 53388 1 483 . 1 . 1 86 86 PRO CB C 13 32.187 . . . . . . . . 86 P CB . 53388 1 484 . 1 . 1 86 86 PRO CG C 13 27.252 . . . . . . . . 86 P CG . 53388 1 485 . 1 . 1 86 86 PRO CD C 13 50.551 . . . . . . . . 86 P CD . 53388 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53388 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Monomeric bovine Pi3K-SH3 at pH 6.8, 25 mM sodium phosphate, 20 degC; minor_conformation' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'second minor conformation Cterm' _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 '3D HNCACB' . . . 53388 2 2 '3D HNCA' . . . 53388 2 3 '3D HNCO' . . . 53388 2 4 '2D 1H-15N HSQC' . . . 53388 2 5 '2D 1H-15N HSQC' . . . 53388 2 6 '2D 13C-13C TOCSY' . . . 53388 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53388 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET C C 13 176.276 . . . . . . . . 3 M C . 53388 2 2 . 1 . 1 3 3 MET CA C 13 55.657 . . . . . . . . 3 M CA . 53388 2 3 . 1 . 1 3 3 MET CB C 13 32.810 . . . . . . . . 3 M CB . 53388 2 4 . 1 . 1 4 4 SER H H 1 8.340 . . . . . . . . 4 S HN . 53388 2 5 . 1 . 1 4 4 SER C C 13 173.998 . . . . . . . . 4 S C . 53388 2 6 . 1 . 1 4 4 SER CA C 13 58.430 . . . . . . . . 4 S CA . 53388 2 7 . 1 . 1 4 4 SER CB C 13 63.961 . . . . . . . . 4 S CB . 53388 2 8 . 1 . 1 4 4 SER N N 15 117.089 . . . . . . . . 4 S N . 53388 2 9 . 1 . 1 5 5 ALA H H 1 8.370 . . . . . . . . 5 A HN . 53388 2 10 . 1 . 1 5 5 ALA C C 13 177.087 . . . . . . . . 5 A C . 53388 2 11 . 1 . 1 5 5 ALA CA C 13 52.126 . . . . . . . . 5 A CA . 53388 2 12 . 1 . 1 5 5 ALA CB C 13 19.818 . . . . . . . . 5 A CB . 53388 2 13 . 1 . 1 5 5 ALA N N 15 125.810 . . . . . . . . 5 A N . 53388 2 14 . 1 . 1 6 6 GLU H H 1 8.228 . . . . . . . . 6 E HN . 53388 2 15 . 1 . 1 6 6 GLU C C 13 175.945 . . . . . . . . 6 E C . 53388 2 16 . 1 . 1 6 6 GLU CA C 13 56.201 . . . . . . . . 6 E CA . 53388 2 17 . 1 . 1 6 6 GLU CB C 13 31.407 . . . . . . . . 6 E CB . 53388 2 18 . 1 . 1 6 6 GLU CG C 13 36.529 . . . . . . . . 6 E CG . 53388 2 19 . 1 . 1 6 6 GLU N N 15 119.435 . . . . . . . . 6 E N . 53388 2 20 . 1 . 1 7 7 GLY H H 1 8.497 . . . . . . . . 7 G HN . 53388 2 21 . 1 . 1 7 7 GLY C C 13 171.903 . . . . . . . . 7 G C . 53388 2 22 . 1 . 1 7 7 GLY CA C 13 44.843 . . . . . . . . 7 G CA . 53388 2 23 . 1 . 1 7 7 GLY N N 15 109.350 . . . . . . . . 7 G N . 53388 2 24 . 1 . 1 8 8 TYR H H 1 9.353 . . . . . . . . 8 Y HN . 53388 2 25 . 1 . 1 8 8 TYR C C 13 174.295 . . . . . . . . 8 Y C . 53388 2 26 . 1 . 1 8 8 TYR CA C 13 56.483 . . . . . . . . 8 Y CA . 53388 2 27 . 1 . 1 8 8 TYR CB C 13 41.851 . . . . . . . . 8 Y CB . 53388 2 28 . 1 . 1 8 8 TYR N N 15 121.809 . . . . . . . . 8 Y N . 53388 2 29 . 1 . 1 9 9 GLN H H 1 9.150 . . . . . . . . 9 Q HN . 53388 2 30 . 1 . 1 9 9 GLN C C 13 174.019 . . . . . . . . 9 Q C . 53388 2 31 . 1 . 1 9 9 GLN CA C 13 54.676 . . . . . . . . 9 Q CA . 53388 2 32 . 1 . 1 9 9 GLN CB C 13 32.742 . . . . . . . . 9 Q CB . 53388 2 33 . 1 . 1 9 9 GLN CG C 13 35.797 . . . . . . . . 9 Q CG . 53388 2 34 . 1 . 1 9 9 GLN N N 15 119.652 . . . . . . . . 9 Q N . 53388 2 35 . 1 . 1 10 10 TYR H H 1 9.315 . . . . . . . . 10 Y HN . 53388 2 36 . 1 . 1 10 10 TYR C C 13 173.383 . . . . . . . . 10 Y C . 53388 2 37 . 1 . 1 10 10 TYR CA C 13 56.476 . . . . . . . . 10 Y CA . 53388 2 38 . 1 . 1 10 10 TYR CB C 13 43.457 . . . . . . . . 10 Y CB . 53388 2 39 . 1 . 1 10 10 TYR N N 15 119.741 . . . . . . . . 10 Y N . 53388 2 40 . 1 . 1 11 11 ARG H H 1 9.226 . . . . . . . . 11 R HN . 53388 2 41 . 1 . 1 11 11 ARG C C 13 176.873 . . . . . . . . 11 R C . 53388 2 42 . 1 . 1 11 11 ARG CA C 13 53.061 . . . . . . . . 11 R CA . 53388 2 43 . 1 . 1 11 11 ARG CB C 13 34.456 . . . . . . . . 11 R CB . 53388 2 44 . 1 . 1 11 11 ARG CG C 13 27.108 . . . . . . . . 11 R CG . 53388 2 45 . 1 . 1 11 11 ARG CD C 13 43.382 . . . . . . . . 11 R CD . 53388 2 46 . 1 . 1 11 11 ARG N N 15 120.495 . . . . . . . . 11 R N . 53388 2 47 . 1 . 1 12 12 ALA H H 1 9.190 . . . . . . . . 12 A HN . 53388 2 48 . 1 . 1 12 12 ALA C C 13 177.847 . . . . . . . . 12 A C . 53388 2 49 . 1 . 1 12 12 ALA CA C 13 52.903 . . . . . . . . 12 A CA . 53388 2 50 . 1 . 1 12 12 ALA CB C 13 19.204 . . . . . . . . 12 A CB . 53388 2 51 . 1 . 1 12 12 ALA N N 15 127.806 . . . . . . . . 12 A N . 53388 2 52 . 1 . 1 13 13 LEU H H 1 9.289 . . . . . . . . 13 L HN . 53388 2 53 . 1 . 1 13 13 LEU C C 13 174.872 . . . . . . . . 13 L C . 53388 2 54 . 1 . 1 13 13 LEU CA C 13 55.110 . . . . . . . . 13 L CA . 53388 2 55 . 1 . 1 13 13 LEU CB C 13 44.049 . . . . . . . . 13 L CB . 53388 2 56 . 1 . 1 13 13 LEU CG C 13 26.716 . . . . . . . . 13 L CG . 53388 2 57 . 1 . 1 13 13 LEU CD1 C 13 25.603 . . . . . . . . 13 L CD1 . 53388 2 58 . 1 . 1 13 13 LEU CD2 C 13 22.254 . . . . . . . . 13 L CD2 . 53388 2 59 . 1 . 1 13 13 LEU N N 15 125.775 . . . . . . . . 13 L N . 53388 2 60 . 1 . 1 14 14 TYR H H 1 7.148 . . . . . . . . 14 Y HN . 53388 2 61 . 1 . 1 14 14 TYR C C 13 173.429 . . . . . . . . 14 Y C . 53388 2 62 . 1 . 1 14 14 TYR CA C 13 54.062 . . . . . . . . 14 Y CA . 53388 2 63 . 1 . 1 14 14 TYR CB C 13 42.467 . . . . . . . . 14 Y CB . 53388 2 64 . 1 . 1 14 14 TYR N N 15 112.227 . . . . . . . . 14 Y N . 53388 2 65 . 1 . 1 15 15 ASP H H 1 8.141 . . . . . . . . 15 D HN . 53388 2 66 . 1 . 1 15 15 ASP C C 13 175.646 . . . . . . . . 15 D C . 53388 2 67 . 1 . 1 15 15 ASP CA C 13 54.298 . . . . . . . . 15 D CA . 53388 2 68 . 1 . 1 15 15 ASP CB C 13 41.652 . . . . . . . . 15 D CB . 53388 2 69 . 1 . 1 15 15 ASP N N 15 117.548 . . . . . . . . 15 D N . 53388 2 70 . 1 . 1 16 16 TYR H H 1 8.710 . . . . . . . . 16 Y HN . 53388 2 71 . 1 . 1 16 16 TYR C C 13 173.777 . . . . . . . . 16 Y C . 53388 2 72 . 1 . 1 16 16 TYR CA C 13 57.419 . . . . . . . . 16 Y CA . 53388 2 73 . 1 . 1 16 16 TYR CB C 13 42.201 . . . . . . . . 16 Y CB . 53388 2 74 . 1 . 1 16 16 TYR N N 15 121.883 . . . . . . . . 16 Y N . 53388 2 75 . 1 . 1 17 17 LYS H H 1 7.607 . . . . . . . . 17 K HN . 53388 2 76 . 1 . 1 17 17 LYS C C 13 174.124 . . . . . . . . 17 K C . 53388 2 77 . 1 . 1 17 17 LYS CA C 13 53.479 . . . . . . . . 17 K CA . 53388 2 78 . 1 . 1 17 17 LYS CB C 13 32.668 . . . . . . . . 17 K CB . 53388 2 79 . 1 . 1 17 17 LYS CG C 13 24.24 . . . . . . . . 17 K CG . 53388 2 80 . 1 . 1 17 17 LYS CD C 13 28.761 . . . . . . . . 17 K CD . 53388 2 81 . 1 . 1 17 17 LYS CE C 13 42.136 . . . . . . . . 17 K CE . 53388 2 82 . 1 . 1 17 17 LYS N N 15 129.801 . . . . . . . . 17 K N . 53388 2 83 . 1 . 1 18 18 LYS H H 1 8.339 . . . . . . . . 18 K HN . 53388 2 84 . 1 . 1 18 18 LYS C C 13 176.418 . . . . . . . . 18 K C . 53388 2 85 . 1 . 1 18 18 LYS CA C 13 57.332 . . . . . . . . 18 K CA . 53388 2 86 . 1 . 1 18 18 LYS CB C 13 33.016 . . . . . . . . 18 K CB . 53388 2 87 . 1 . 1 18 18 LYS CG C 13 23.259 . . . . . . . . 18 K CG . 53388 2 88 . 1 . 1 18 18 LYS CD C 13 29.782 . . . . . . . . 18 K CD . 53388 2 89 . 1 . 1 18 18 LYS CE C 13 42.284 . . . . . . . . 18 K CE . 53388 2 90 . 1 . 1 18 18 LYS N N 15 123.062 . . . . . . . . 18 K N . 53388 2 91 . 1 . 1 19 19 GLU H H 1 9.287 . . . . . . . . 19 E HN . 53388 2 92 . 1 . 1 19 19 GLU C C 13 176.170 . . . . . . . . 19 E C . 53388 2 93 . 1 . 1 19 19 GLU CA C 13 56.384 . . . . . . . . 19 E CA . 53388 2 94 . 1 . 1 19 19 GLU CB C 13 32.532 . . . . . . . . 19 E CB . 53388 2 95 . 1 . 1 19 19 GLU CG C 13 36.257 . . . . . . . . 19 E CG . 53388 2 96 . 1 . 1 19 19 GLU N N 15 122.999 . . . . . . . . 19 E N . 53388 2 97 . 1 . 1 20 20 ARG H H 1 8.818 . . . . . . . . 20 R HN . 53388 2 98 . 1 . 1 20 20 ARG C C 13 176.765 . . . . . . . . 20 R C . 53388 2 99 . 1 . 1 20 20 ARG CA C 13 54.429 . . . . . . . . 20 R CA . 53388 2 100 . 1 . 1 20 20 ARG CB C 13 31.627 . . . . . . . . 20 R CB . 53388 2 101 . 1 . 1 20 20 ARG CG C 13 26.977 . . . . . . . . 20 R CG . 53388 2 102 . 1 . 1 20 20 ARG CD C 13 43.346 . . . . . . . . 20 R CD . 53388 2 103 . 1 . 1 20 20 ARG N N 15 122.069 . . . . . . . . 20 R N . 53388 2 104 . 1 . 1 21 21 GLU H H 1 8.563 . . . . . . . . 21 E HN . 53388 2 105 . 1 . 1 21 21 GLU C C 13 178.339 . . . . . . . . 21 E C . 53388 2 106 . 1 . 1 21 21 GLU CA C 13 59.613 . . . . . . . . 21 E CA . 53388 2 107 . 1 . 1 21 21 GLU CB C 13 29.820 . . . . . . . . 21 E CB . 53388 2 108 . 1 . 1 21 21 GLU CG C 13 36.450 . . . . . . . . 21 E CG . 53388 2 109 . 1 . 1 21 21 GLU N N 15 120.744 . . . . . . . . 21 E N . 53388 2 110 . 1 . 1 22 22 GLU H H 1 8.782 . . . . . . . . 22 E HN . 53388 2 111 . 1 . 1 22 22 GLU C C 13 176.770 . . . . . . . . 22 E C . 53388 2 112 . 1 . 1 22 22 GLU CA C 13 57.324 . . . . . . . . 22 E CA . 53388 2 113 . 1 . 1 22 22 GLU CB C 13 29.752 . . . . . . . . 22 E CB . 53388 2 114 . 1 . 1 22 22 GLU CG C 13 36.771 . . . . . . . . 22 E CG . 53388 2 115 . 1 . 1 22 22 GLU N N 15 115.272 . . . . . . . . 22 E N . 53388 2 116 . 1 . 1 23 23 ASP H H 1 8.050 . . . . . . . . 23 D HN . 53388 2 117 . 1 . 1 23 23 ASP C C 13 175.516 . . . . . . . . 23 D C . 53388 2 118 . 1 . 1 23 23 ASP CA C 13 53.618 . . . . . . . . 23 D CA . 53388 2 119 . 1 . 1 23 23 ASP CB C 13 42.811 . . . . . . . . 23 D CB . 53388 2 120 . 1 . 1 23 23 ASP N N 15 119.704 . . . . . . . . 23 D N . 53388 2 121 . 1 . 1 24 24 ILE H H 1 8.163 . . . . . . . . 24 I HN . 53388 2 122 . 1 . 1 24 24 ILE C C 13 173.979 . . . . . . . . 24 I C . 53388 2 123 . 1 . 1 24 24 ILE CA C 13 59.371 . . . . . . . . 24 I CA . 53388 2 124 . 1 . 1 24 24 ILE CB C 13 41.512 . . . . . . . . 24 I CB . 53388 2 125 . 1 . 1 24 24 ILE CG1 C 13 24.819 . . . . . . . . 24 I CG1 . 53388 2 126 . 1 . 1 24 24 ILE CG2 C 13 19.413 . . . . . . . . 24 I CG2 . 53388 2 127 . 1 . 1 24 24 ILE CD1 C 13 15.090 . . . . . . . . 24 I CD1 . 53388 2 128 . 1 . 1 24 24 ILE N N 15 111.233 . . . . . . . . 24 I N . 53388 2 129 . 1 . 1 25 25 ASP H H 1 7.997 . . . . . . . . 25 D HN . 53388 2 130 . 1 . 1 25 25 ASP C C 13 177.700 . . . . . . . . 25 D C . 53388 2 131 . 1 . 1 25 25 ASP CA C 13 54.275 . . . . . . . . 25 D CA . 53388 2 132 . 1 . 1 25 25 ASP CB C 13 42.174 . . . . . . . . 25 D CB . 53388 2 133 . 1 . 1 25 25 ASP N N 15 115.676 . . . . . . . . 25 D N . 53388 2 134 . 1 . 1 26 26 LEU H H 1 9.146 . . . . . . . . 26 L HN . 53388 2 135 . 1 . 1 26 26 LEU C C 13 176.466 . . . . . . . . 26 L C . 53388 2 136 . 1 . 1 26 26 LEU CA C 13 53.206 . . . . . . . . 26 L CA . 53388 2 137 . 1 . 1 26 26 LEU CB C 13 45.278 . . . . . . . . 26 L CB . 53388 2 138 . 1 . 1 26 26 LEU CD1 C 13 24.355 . . . . . . . . 26 L CD1 . 53388 2 139 . 1 . 1 26 26 LEU N N 15 116.083 . . . . . . . . 26 L N . 53388 2 140 . 1 . 1 27 27 HIS H H 1 8.124 . . . . . . . . 27 H HN . 53388 2 141 . 1 . 1 27 27 HIS C C 13 173.649 . . . . . . . . 27 H C . 53388 2 142 . 1 . 1 27 27 HIS CA C 13 52.697 . . . . . . . . 27 H CA . 53388 2 143 . 1 . 1 27 27 HIS CB C 13 29.154 . . . . . . . . 27 H CB . 53388 2 144 . 1 . 1 27 27 HIS N N 15 121.494 . . . . . . . . 27 H N . 53388 2 145 . 1 . 1 28 28 LEU H H 1 8.528 . . . . . . . . 28 L HN . 53388 2 146 . 1 . 1 28 28 LEU C C 13 177.955 . . . . . . . . 28 L C . 53388 2 147 . 1 . 1 28 28 LEU CA C 13 57.884 . . . . . . . . 28 L CA . 53388 2 148 . 1 . 1 28 28 LEU CB C 13 42.171 . . . . . . . . 28 L CB . 53388 2 149 . 1 . 1 28 28 LEU CG C 13 27.218 . . . . . . . . 28 L CG . 53388 2 150 . 1 . 1 28 28 LEU CD2 C 13 25.117 . . . . . . . . 28 L CD2 . 53388 2 151 . 1 . 1 28 28 LEU N N 15 124.362 . . . . . . . . 28 L N . 53388 2 152 . 1 . 1 29 29 GLY H H 1 8.985 . . . . . . . . 29 G HN . 53388 2 153 . 1 . 1 29 29 GLY C C 13 174.369 . . . . . . . . 29 G C . 53388 2 154 . 1 . 1 29 29 GLY CA C 13 45.140 . . . . . . . . 29 G CA . 53388 2 155 . 1 . 1 29 29 GLY N N 15 115.893 . . . . . . . . 29 G N . 53388 2 156 . 1 . 1 30 30 ASP H H 1 8.789 . . . . . . . . 30 D HN . 53388 2 157 . 1 . 1 30 30 ASP C C 13 174.520 . . . . . . . . 30 D C . 53388 2 158 . 1 . 1 30 30 ASP CA C 13 55.289 . . . . . . . . 30 D CA . 53388 2 159 . 1 . 1 30 30 ASP CB C 13 41.434 . . . . . . . . 30 D CB . 53388 2 160 . 1 . 1 30 30 ASP N N 15 123.521 . . . . . . . . 30 D N . 53388 2 161 . 1 . 1 31 31 ILE H H 1 8.003 . . . . . . . . 31 I HN . 53388 2 162 . 1 . 1 31 31 ILE C C 13 174.835 . . . . . . . . 31 I C . 53388 2 163 . 1 . 1 31 31 ILE CA C 13 57.941 . . . . . . . . 31 I CA . 53388 2 164 . 1 . 1 31 31 ILE CB C 13 38.222 . . . . . . . . 31 I CB . 53388 2 165 . 1 . 1 31 31 ILE CG1 C 13 26.612 . . . . . . . . 31 I CG1 . 53388 2 166 . 1 . 1 31 31 ILE CG2 C 13 17.389 . . . . . . . . 31 I CG2 . 53388 2 167 . 1 . 1 31 31 ILE CD1 C 13 10.234 . . . . . . . . 31 I CD1 . 53388 2 168 . 1 . 1 31 31 ILE N N 15 120.449 . . . . . . . . 31 I N . 53388 2 169 . 1 . 1 32 32 LEU H H 1 9.342 . . . . . . . . 32 L HN . 53388 2 170 . 1 . 1 32 32 LEU C C 13 176.583 . . . . . . . . 32 L C . 53388 2 171 . 1 . 1 32 32 LEU CA C 13 53.347 . . . . . . . . 32 L CA . 53388 2 172 . 1 . 1 32 32 LEU CB C 13 45.210 . . . . . . . . 32 L CB . 53388 2 173 . 1 . 1 32 32 LEU CG C 13 27.807 . . . . . . . . 32 L CG . 53388 2 174 . 1 . 1 32 32 LEU CD1 C 13 25.113 . . . . . . . . 32 L CD1 . 53388 2 175 . 1 . 1 32 32 LEU CD2 C 13 25.650 . . . . . . . . 32 L CD2 . 53388 2 176 . 1 . 1 32 32 LEU N N 15 125.746 . . . . . . . . 32 L N . 53388 2 177 . 1 . 1 33 33 THR H H 1 9.612 . . . . . . . . 33 T HN . 53388 2 178 . 1 . 1 33 33 THR C C 13 175.071 . . . . . . . . 33 T C . 53388 2 179 . 1 . 1 33 33 THR CA C 13 62.036 . . . . . . . . 33 T CA . 53388 2 180 . 1 . 1 33 33 THR CB C 13 70.595 . . . . . . . . 33 T CB . 53388 2 181 . 1 . 1 33 33 THR CG2 C 13 23.979 . . . . . . . . 33 T CG2 . 53388 2 182 . 1 . 1 33 33 THR N N 15 117.731 . . . . . . . . 33 T N . 53388 2 183 . 1 . 1 34 34 VAL H H 1 10.029 . . . . . . . . 34 V HN . 53388 2 184 . 1 . 1 34 34 VAL C C 13 174.946 . . . . . . . . 34 V C . 53388 2 185 . 1 . 1 34 34 VAL CA C 13 60.906 . . . . . . . . 34 V CA . 53388 2 186 . 1 . 1 34 34 VAL CB C 13 36.183 . . . . . . . . 34 V CB . 53388 2 187 . 1 . 1 34 34 VAL CG1 C 13 22.391 . . . . . . . . 34 V CG1 . 53388 2 188 . 1 . 1 34 34 VAL CG2 C 13 20.259 . . . . . . . . 34 V CG2 . 53388 2 189 . 1 . 1 34 34 VAL N N 15 131.282 . . . . . . . . 34 V N . 53388 2 190 . 1 . 1 35 35 ASN H H 1 9.503 . . . . . . . . 35 N HN . 53388 2 191 . 1 . 1 35 35 ASN C C 13 176.688 . . . . . . . . 35 N C . 53388 2 192 . 1 . 1 35 35 ASN CA C 13 53.969 . . . . . . . . 35 N CA . 53388 2 193 . 1 . 1 35 35 ASN CB C 13 39.303 . . . . . . . . 35 N CB . 53388 2 194 . 1 . 1 35 35 ASN N N 15 126.924 . . . . . . . . 35 N N . 53388 2 195 . 1 . 1 36 36 LYS H H 1 9.002 . . . . . . . . 36 K HN . 53388 2 196 . 1 . 1 36 36 LYS C C 13 178.167 . . . . . . . . 36 K C . 53388 2 197 . 1 . 1 36 36 LYS CA C 13 60.121 . . . . . . . . 36 K CA . 53388 2 198 . 1 . 1 36 36 LYS CB C 13 32.994 . . . . . . . . 36 K CB . 53388 2 199 . 1 . 1 36 36 LYS CG C 13 25.140 . . . . . . . . 36 K CG . 53388 2 200 . 1 . 1 36 36 LYS CD C 13 29.832 . . . . . . . . 36 K CD . 53388 2 201 . 1 . 1 36 36 LYS CE C 13 42.341 . . . . . . . . 36 K CE . 53388 2 202 . 1 . 1 36 36 LYS N N 15 127.048 . . . . . . . . 36 K N . 53388 2 203 . 1 . 1 37 37 GLY H H 1 8.971 . . . . . . . . 37 G HN . 53388 2 204 . 1 . 1 37 37 GLY C C 13 176.506 . . . . . . . . 37 G C . 53388 2 205 . 1 . 1 37 37 GLY CA C 13 46.792 . . . . . . . . 37 G CA . 53388 2 206 . 1 . 1 37 37 GLY N N 15 104.902 . . . . . . . . 37 G N . 53388 2 207 . 1 . 1 38 38 SER H H 1 7.831 . . . . . . . . 38 S HN . 53388 2 208 . 1 . 1 38 38 SER C C 13 175.750 . . . . . . . . 38 S C . 53388 2 209 . 1 . 1 38 38 SER CA C 13 60.995 . . . . . . . . 38 S CA . 53388 2 210 . 1 . 1 38 38 SER CB C 13 62.985 . . . . . . . . 38 S CB . 53388 2 211 . 1 . 1 38 38 SER N N 15 117.005 . . . . . . . . 38 S N . 53388 2 212 . 1 . 1 39 39 LEU H H 1 7.391 . . . . . . . . 39 L HN . 53388 2 213 . 1 . 1 39 39 LEU C C 13 179.479 . . . . . . . . 39 L C . 53388 2 214 . 1 . 1 39 39 LEU CA C 13 57.470 . . . . . . . . 39 L CA . 53388 2 215 . 1 . 1 39 39 LEU CB C 13 41.205 . . . . . . . . 39 L CB . 53388 2 216 . 1 . 1 39 39 LEU CG C 13 27.320 . . . . . . . . 39 L CG . 53388 2 217 . 1 . 1 39 39 LEU CD1 C 13 25.721 . . . . . . . . 39 L CD1 . 53388 2 218 . 1 . 1 39 39 LEU CD2 C 13 23.388 . . . . . . . . 39 L CD2 . 53388 2 219 . 1 . 1 39 39 LEU N N 15 121.556 . . . . . . . . 39 L N . 53388 2 220 . 1 . 1 40 40 VAL H H 1 8.192 . . . . . . . . 40 V HN . 53388 2 221 . 1 . 1 40 40 VAL C C 13 180.162 . . . . . . . . 40 V C . 53388 2 222 . 1 . 1 40 40 VAL CA C 13 65.899 . . . . . . . . 40 V CA . 53388 2 223 . 1 . 1 40 40 VAL CB C 13 32.112 . . . . . . . . 40 V CB . 53388 2 224 . 1 . 1 40 40 VAL CG1 C 13 22.602 . . . . . . . . 40 V CG1 . 53388 2 225 . 1 . 1 40 40 VAL CG2 C 13 21.020 . . . . . . . . 40 V CG2 . 53388 2 226 . 1 . 1 40 40 VAL N N 15 120.539 . . . . . . . . 40 V N . 53388 2 227 . 1 . 1 41 41 ALA H H 1 7.880 . . . . . . . . 41 A HN . 53388 2 228 . 1 . 1 41 41 ALA C C 13 178.902 . . . . . . . . 41 A C . 53388 2 229 . 1 . 1 41 41 ALA CA C 13 54.452 . . . . . . . . 41 A CA . 53388 2 230 . 1 . 1 41 41 ALA CB C 13 18.356 . . . . . . . . 41 A CB . 53388 2 231 . 1 . 1 41 41 ALA N N 15 122.386 . . . . . . . . 41 A N . 53388 2 232 . 1 . 1 42 42 LEU H H 1 7.251 . . . . . . . . 42 L HN . 53388 2 233 . 1 . 1 42 42 LEU C C 13 177.181 . . . . . . . . 42 L C . 53388 2 234 . 1 . 1 42 42 LEU CA C 13 54.973 . . . . . . . . 42 L CA . 53388 2 235 . 1 . 1 42 42 LEU CB C 13 42.928 . . . . . . . . 42 L CB . 53388 2 236 . 1 . 1 42 42 LEU CG C 13 26.754 . . . . . . . . 42 L CG . 53388 2 237 . 1 . 1 42 42 LEU CD1 C 13 25.646 . . . . . . . . 42 L CD1 . 53388 2 238 . 1 . 1 42 42 LEU CD2 C 13 22.381 . . . . . . . . 42 L CD2 . 53388 2 239 . 1 . 1 42 42 LEU N N 15 116.698 . . . . . . . . 42 L N . 53388 2 240 . 1 . 1 43 43 GLY H H 1 7.887 . . . . . . . . 43 G HN . 53388 2 241 . 1 . 1 43 43 GLY C C 13 174.518 . . . . . . . . 43 G C . 53388 2 242 . 1 . 1 43 43 GLY CA C 13 45.221 . . . . . . . . 43 G CA . 53388 2 243 . 1 . 1 43 43 GLY N N 15 106.497 . . . . . . . . 43 G N . 53388 2 244 . 1 . 1 44 44 PHE H H 1 7.623 . . . . . . . . 44 F HN . 53388 2 245 . 1 . 1 44 44 PHE C C 13 175.519 . . . . . . . . 44 F C . 53388 2 246 . 1 . 1 44 44 PHE CA C 13 57.528 . . . . . . . . 44 F CA . 53388 2 247 . 1 . 1 44 44 PHE CB C 13 39.551 . . . . . . . . 44 F CB . 53388 2 248 . 1 . 1 44 44 PHE N N 15 119.597 . . . . . . . . 44 F N . 53388 2 249 . 1 . 1 45 45 SER H H 1 8.681 . . . . . . . . 45 S HN . 53388 2 250 . 1 . 1 45 45 SER C C 13 174.408 . . . . . . . . 45 S C . 53388 2 251 . 1 . 1 45 45 SER CA C 13 57.399 . . . . . . . . 45 S CA . 53388 2 252 . 1 . 1 45 45 SER CB C 13 65.039 . . . . . . . . 45 S CB . 53388 2 253 . 1 . 1 45 45 SER N N 15 117.566 . . . . . . . . 45 S N . 53388 2 254 . 1 . 1 46 46 ASP H H 1 8.570 . . . . . . . . 46 D HN . 53388 2 255 . 1 . 1 46 46 ASP C C 13 176.470 . . . . . . . . 46 D C . 53388 2 256 . 1 . 1 46 46 ASP CA C 13 56.480 . . . . . . . . 46 D CA . 53388 2 257 . 1 . 1 46 46 ASP CB C 13 40.788 . . . . . . . . 46 D CB . 53388 2 258 . 1 . 1 46 46 ASP CG C 13 180.147 . . . . . . . . 46 D CG . 53388 2 259 . 1 . 1 46 46 ASP N N 15 122.562 . . . . . . . . 46 D N . 53388 2 260 . 1 . 1 47 47 GLY H H 1 9.333 . . . . . . . . 47 G HN . 53388 2 261 . 1 . 1 47 47 GLY C C 13 176.850 . . . . . . . . 47 G C . 53388 2 262 . 1 . 1 47 47 GLY CA C 13 45.212 . . . . . . . . 47 G CA . 53388 2 263 . 1 . 1 47 47 GLY N N 15 115.991 . . . . . . . . 47 G N . 53388 2 264 . 1 . 1 48 48 GLN H H 1 8.160 . . . . . . . . 48 Q HN . 53388 2 265 . 1 . 1 48 48 GLN C C 13 176.758 . . . . . . . . 48 Q C . 53388 2 266 . 1 . 1 48 48 GLN CA C 13 58.088 . . . . . . . . 48 Q CA . 53388 2 267 . 1 . 1 48 48 GLN CB C 13 29.194 . . . . . . . . 48 Q CB . 53388 2 268 . 1 . 1 48 48 GLN CG C 13 35.036 . . . . . . . . 48 Q CG . 53388 2 269 . 1 . 1 48 48 GLN CD C 13 180.061 . . . . . . . . 48 Q CD . 53388 2 270 . 1 . 1 48 48 GLN N N 15 120.579 . . . . . . . . 48 Q N . 53388 2 271 . 1 . 1 49 49 GLU H H 1 9.604 . . . . . . . . 49 E HN . 53388 2 272 . 1 . 1 49 49 GLU C C 13 175.600 . . . . . . . . 49 E C . 53388 2 273 . 1 . 1 49 49 GLU CA C 13 57.949 . . . . . . . . 49 E CA . 53388 2 274 . 1 . 1 49 49 GLU CB C 13 26.102 . . . . . . . . 49 E CB . 53388 2 275 . 1 . 1 49 49 GLU CG C 13 33.478 . . . . . . . . 49 E CG . 53388 2 276 . 1 . 1 49 49 GLU N N 15 117.898 . . . . . . . . 49 E N . 53388 2 277 . 1 . 1 50 50 ALA H H 1 6.593 . . . . . . . . 50 A HN . 53388 2 278 . 1 . 1 50 50 ALA C C 13 176.000 . . . . . . . . 50 A C . 53388 2 279 . 1 . 1 50 50 ALA CA C 13 51.668 . . . . . . . . 50 A CA . 53388 2 280 . 1 . 1 50 50 ALA CB C 13 19.088 . . . . . . . . 50 A CB . 53388 2 281 . 1 . 1 50 50 ALA N N 15 120.050 . . . . . . . . 50 A N . 53388 2 282 . 1 . 1 51 51 LYS H H 1 7.503 . . . . . . . . 51 K HN . 53388 2 283 . 1 . 1 51 51 LYS CA C 13 53.393 . . . . . . . . 51 K CA . 53388 2 284 . 1 . 1 51 51 LYS CB C 13 32.383 . . . . . . . . 51 K CB . 53388 2 285 . 1 . 1 51 51 LYS CG C 13 24.087 . . . . . . . . 51 K CG . 53388 2 286 . 1 . 1 51 51 LYS CD C 13 29.247 . . . . . . . . 51 K CD . 53388 2 287 . 1 . 1 51 51 LYS CE C 13 42.092 . . . . . . . . 51 K CE . 53388 2 288 . 1 . 1 51 51 LYS N N 15 118.635 . . . . . . . . 51 K N . 53388 2 289 . 1 . 1 52 52 PRO C C 13 176.878 . . . . . . . . 52 P C . 53388 2 290 . 1 . 1 52 52 PRO CA C 13 64.763 . . . . . . . . 52 P CA . 53388 2 291 . 1 . 1 52 52 PRO CB C 13 30.660 . . . . . . . . 52 P CB . 53388 2 292 . 1 . 1 52 52 PRO CG C 13 27.847 . . . . . . . . 52 P CG . 53388 2 293 . 1 . 1 52 52 PRO CD C 13 50.929 . . . . . . . . 52 P CD . 53388 2 294 . 1 . 1 53 53 GLU H H 1 10.039 . . . . . . . . 53 E HN . 53388 2 295 . 1 . 1 53 53 GLU C C 13 177.248 . . . . . . . . 53 E C . 53388 2 296 . 1 . 1 53 53 GLU CA C 13 58.462 . . . . . . . . 53 E CA . 53388 2 297 . 1 . 1 53 53 GLU CB C 13 27.468 . . . . . . . . 53 E CB . 53388 2 298 . 1 . 1 53 53 GLU CG C 13 35.334 . . . . . . . . 53 E CG . 53388 2 299 . 1 . 1 53 53 GLU N N 15 119.348 . . . . . . . . 53 E N . 53388 2 300 . 1 . 1 54 54 GLU H H 1 7.637 . . . . . . . . 54 E HN . 53388 2 301 . 1 . 1 54 54 GLU C C 13 176.878 . . . . . . . . 54 E C . 53388 2 302 . 1 . 1 54 54 GLU CA C 13 56.663 . . . . . . . . 54 E CA . 53388 2 303 . 1 . 1 54 54 GLU CB C 13 30.155 . . . . . . . . 54 E CB . 53388 2 304 . 1 . 1 54 54 GLU CG C 13 36.930 . . . . . . . . 54 E CG . 53388 2 305 . 1 . 1 54 54 GLU N N 15 119.620 . . . . . . . . 54 E N . 53388 2 306 . 1 . 1 55 55 ILE H H 1 7.315 . . . . . . . . 55 I HN . 53388 2 307 . 1 . 1 55 55 ILE C C 13 176.149 . . . . . . . . 55 I C . 53388 2 308 . 1 . 1 55 55 ILE CA C 13 62.827 . . . . . . . . 55 I CA . 53388 2 309 . 1 . 1 55 55 ILE CB C 13 38.321 . . . . . . . . 55 I CB . 53388 2 310 . 1 . 1 55 55 ILE CG1 C 13 27.024 . . . . . . . . 55 I CG1 . 53388 2 311 . 1 . 1 55 55 ILE CG2 C 13 17.012 . . . . . . . . 55 I CG2 . 53388 2 312 . 1 . 1 55 55 ILE CD1 C 13 13.207 . . . . . . . . 55 I CD1 . 53388 2 313 . 1 . 1 55 55 ILE N N 15 120.670 . . . . . . . . 55 I N . 53388 2 314 . 1 . 1 56 56 GLY H H 1 7.702 . . . . . . . . 56 G HN . 53388 2 315 . 1 . 1 56 56 GLY C C 13 173.769 . . . . . . . . 56 G C . 53388 2 316 . 1 . 1 56 56 GLY CA C 13 46.181 . . . . . . . . 56 G CA . 53388 2 317 . 1 . 1 56 56 GLY N N 15 108.890 . . . . . . . . 56 G N . 53388 2 318 . 1 . 1 57 57 TRP H H 1 8.146 . . . . . . . . 57 W HN . 53388 2 319 . 1 . 1 57 57 TRP C C 13 174.867 . . . . . . . . 57 W C . 53388 2 320 . 1 . 1 57 57 TRP CA C 13 57.855 . . . . . . . . 57 W CA . 53388 2 321 . 1 . 1 57 57 TRP CB C 13 30.566 . . . . . . . . 57 W CB . 53388 2 322 . 1 . 1 57 57 TRP N N 15 124.704 . . . . . . . . 57 W N . 53388 2 323 . 1 . 1 58 58 LEU H H 1 8.278 . . . . . . . . 58 L HN . 53388 2 324 . 1 . 1 58 58 LEU C C 13 173.671 . . . . . . . . 58 L C . 53388 2 325 . 1 . 1 58 58 LEU CA C 13 53.446 . . . . . . . . 58 L CA . 53388 2 326 . 1 . 1 58 58 LEU CB C 13 45.178 . . . . . . . . 58 L CB . 53388 2 327 . 1 . 1 58 58 LEU CG C 13 27.762 . . . . . . . . 58 L CG . 53388 2 328 . 1 . 1 58 58 LEU CD1 C 13 25.723 . . . . . . . . 58 L CD1 . 53388 2 329 . 1 . 1 58 58 LEU N N 15 123.651 . . . . . . . . 58 L N . 53388 2 330 . 1 . 1 59 59 ASN H H 1 7.880 . . . . . . . . 59 N HN . 53388 2 331 . 1 . 1 59 59 ASN C C 13 175.257 . . . . . . . . 59 N C . 53388 2 332 . 1 . 1 59 59 ASN CA C 13 52.998 . . . . . . . . 59 N CA . 53388 2 333 . 1 . 1 59 59 ASN CB C 13 42.819 . . . . . . . . 59 N CB . 53388 2 334 . 1 . 1 59 59 ASN CG C 13 178.275 . . . . . . . . 59 N CG . 53388 2 335 . 1 . 1 59 59 ASN N N 15 117.256 . . . . . . . . 59 N N . 53388 2 336 . 1 . 1 60 60 GLY H H 1 8.930 . . . . . . . . 60 G HN . 53388 2 337 . 1 . 1 60 60 GLY C C 13 169.514 . . . . . . . . 60 G C . 53388 2 338 . 1 . 1 60 60 GLY CA C 13 46.606 . . . . . . . . 60 G CA . 53388 2 339 . 1 . 1 60 60 GLY N N 15 111.548 . . . . . . . . 60 G N . 53388 2 340 . 1 . 1 61 61 TYR H H 1 8.790 . . . . . . . . 61 Y HN . 53388 2 341 . 1 . 1 61 61 TYR C C 13 173.671 . . . . . . . . 61 Y C . 53388 2 342 . 1 . 1 61 61 TYR CA C 13 55.980 . . . . . . . . 61 Y CA . 53388 2 343 . 1 . 1 61 61 TYR CB C 13 41.997 . . . . . . . . 61 Y CB . 53388 2 344 . 1 . 1 61 61 TYR N N 15 120.689 . . . . . . . . 61 Y N . 53388 2 345 . 1 . 1 62 62 ASN H H 1 9.080 . . . . . . . . 62 N HN . 53388 2 346 . 1 . 1 62 62 ASN C C 13 174.086 . . . . . . . . 62 N C . 53388 2 347 . 1 . 1 62 62 ASN CA C 13 52.458 . . . . . . . . 62 N CA . 53388 2 348 . 1 . 1 62 62 ASN CB C 13 39.267 . . . . . . . . 62 N CB . 53388 2 349 . 1 . 1 62 62 ASN N N 15 126.503 . . . . . . . . 62 N N . 53388 2 350 . 1 . 1 63 63 GLU H H 1 9.349 . . . . . . . . 63 E HN . 53388 2 351 . 1 . 1 63 63 GLU C C 13 178.850 . . . . . . . . 63 E C . 53388 2 352 . 1 . 1 63 63 GLU CA C 13 57.896 . . . . . . . . 63 E CA . 53388 2 353 . 1 . 1 63 63 GLU CB C 13 29.349 . . . . . . . . 63 E CB . 53388 2 354 . 1 . 1 63 63 GLU CG C 13 35.330 . . . . . . . . 63 E CG . 53388 2 355 . 1 . 1 63 63 GLU CD C 13 177.268 . . . . . . . . 63 E CD . 53388 2 356 . 1 . 1 63 63 GLU N N 15 125.716 . . . . . . . . 63 E N . 53388 2 357 . 1 . 1 64 64 THR H H 1 8.241 . . . . . . . . 64 T HN . 53388 2 358 . 1 . 1 64 64 THR C C 13 176.095 . . . . . . . . 64 T C . 53388 2 359 . 1 . 1 64 64 THR CA C 13 66.045 . . . . . . . . 64 T CA . 53388 2 360 . 1 . 1 64 64 THR CB C 13 68.890 . . . . . . . . 64 T CB . 53388 2 361 . 1 . 1 64 64 THR CG2 C 13 22.962 . . . . . . . . 64 T CG2 . 53388 2 362 . 1 . 1 64 64 THR N N 15 116.090 . . . . . . . . 64 T N . 53388 2 363 . 1 . 1 65 65 THR H H 1 7.359 . . . . . . . . 65 T HN . 53388 2 364 . 1 . 1 65 65 THR C C 13 176.353 . . . . . . . . 65 T C . 53388 2 365 . 1 . 1 65 65 THR CA C 13 61.510 . . . . . . . . 65 T CA . 53388 2 366 . 1 . 1 65 65 THR CB C 13 70.461 . . . . . . . . 65 T CB . 53388 2 367 . 1 . 1 65 65 THR CG2 C 13 21.817 . . . . . . . . 65 T CG2 . 53388 2 368 . 1 . 1 65 65 THR N N 15 109.172 . . . . . . . . 65 T N . 53388 2 369 . 1 . 1 66 66 GLY H H 1 8.690 . . . . . . . . 66 G HN . 53388 2 370 . 1 . 1 66 66 GLY C C 13 173.980 . . . . . . . . 66 G C . 53388 2 371 . 1 . 1 66 66 GLY CA C 13 45.636 . . . . . . . . 66 G CA . 53388 2 372 . 1 . 1 66 66 GLY N N 15 112.455 . . . . . . . . 66 G N . 53388 2 373 . 1 . 1 67 67 GLU H H 1 7.115 . . . . . . . . 67 E HN . 53388 2 374 . 1 . 1 67 67 GLU C C 13 173.751 . . . . . . . . 67 E C . 53388 2 375 . 1 . 1 67 67 GLU CA C 13 55.711 . . . . . . . . 67 E CA . 53388 2 376 . 1 . 1 67 67 GLU CB C 13 31.923 . . . . . . . . 67 E CB . 53388 2 377 . 1 . 1 67 67 GLU CG C 13 36.626 . . . . . . . . 67 E CG . 53388 2 378 . 1 . 1 67 67 GLU N N 15 118.565 . . . . . . . . 67 E N . 53388 2 379 . 1 . 1 68 68 ARG H H 1 8.655 . . . . . . . . 68 R HN . 53388 2 380 . 1 . 1 68 68 ARG C C 13 175.054 . . . . . . . . 68 R C . 53388 2 381 . 1 . 1 68 68 ARG CA C 13 54.125 . . . . . . . . 68 R CA . 53388 2 382 . 1 . 1 68 68 ARG CB C 13 34.107 . . . . . . . . 68 R CB . 53388 2 383 . 1 . 1 68 68 ARG CG C 13 27.536 . . . . . . . . 68 R CG . 53388 2 384 . 1 . 1 68 68 ARG CD C 13 43.419 . . . . . . . . 68 R CD . 53388 2 385 . 1 . 1 68 68 ARG CZ C 13 159.709 . . . . . . . . 68 R CZ . 53388 2 386 . 1 . 1 68 68 ARG N N 15 120.220 . . . . . . . . 68 R N . 53388 2 387 . 1 . 1 69 69 GLY H H 1 8.882 . . . . . . . . 69 G HN . 53388 2 388 . 1 . 1 69 69 GLY C C 13 171.039 . . . . . . . . 69 G C . 53388 2 389 . 1 . 1 69 69 GLY CA C 13 45.897 . . . . . . . . 69 G CA . 53388 2 390 . 1 . 1 69 69 GLY N N 15 111.688 . . . . . . . . 69 G N . 53388 2 391 . 1 . 1 70 70 ASP H H 1 8.505 . . . . . . . . 70 D HN . 53388 2 392 . 1 . 1 70 70 ASP C C 13 175.853 . . . . . . . . 70 D C . 53388 2 393 . 1 . 1 70 70 ASP CA C 13 53.644 . . . . . . . . 70 D CA . 53388 2 394 . 1 . 1 70 70 ASP CB C 13 42.175 . . . . . . . . 70 D CB . 53388 2 395 . 1 . 1 70 70 ASP CG C 13 179.035 . . . . . . . . 70 D CG . 53388 2 396 . 1 . 1 70 70 ASP N N 15 120.990 . . . . . . . . 70 D N . 53388 2 397 . 1 . 1 71 71 PHE H H 1 8.946 . . . . . . . . 71 F HN . 53388 2 398 . 1 . 1 71 71 PHE CA C 13 54.611 . . . . . . . . 71 F CA . 53388 2 399 . 1 . 1 71 71 PHE CB C 13 39.083 . . . . . . . . 71 F CB . 53388 2 400 . 1 . 1 71 71 PHE N N 15 113.653 . . . . . . . . 71 F N . 53388 2 401 . 1 . 1 72 72 PRO C C 13 178.593 . . . . . . . . 72 P C . 53388 2 402 . 1 . 1 72 72 PRO CA C 13 61.614 . . . . . . . . 72 P CA . 53388 2 403 . 1 . 1 72 72 PRO CB C 13 30.783 . . . . . . . . 72 P CB . 53388 2 404 . 1 . 1 72 72 PRO CG C 13 26.935 . . . . . . . . 72 P CG . 53388 2 405 . 1 . 1 72 72 PRO CD C 13 49.924 . . . . . . . . 72 P CD . 53388 2 406 . 1 . 1 73 73 GLY H H 1 7.936 . . . . . . . . 73 G HN . 53388 2 407 . 1 . 1 73 73 GLY C C 13 174.487 . . . . . . . . 73 G C . 53388 2 408 . 1 . 1 73 73 GLY CA C 13 46.522 . . . . . . . . 73 G CA . 53388 2 409 . 1 . 1 73 73 GLY N N 15 112.153 . . . . . . . . 73 G N . 53388 2 410 . 1 . 1 74 74 THR H H 1 7.301 . . . . . . . . 74 T HN . 53388 2 411 . 1 . 1 74 74 THR C C 13 175.677 . . . . . . . . 74 T C . 53388 2 412 . 1 . 1 74 74 THR CA C 13 62.713 . . . . . . . . 74 T CA . 53388 2 413 . 1 . 1 74 74 THR CB C 13 69.045 . . . . . . . . 74 T CB . 53388 2 414 . 1 . 1 74 74 THR CG2 C 13 22.945 . . . . . . . . 74 T CG2 . 53388 2 415 . 1 . 1 74 74 THR N N 15 104.038 . . . . . . . . 74 T N . 53388 2 416 . 1 . 1 75 75 TYR H H 1 7.524 . . . . . . . . 75 Y HN . 53388 2 417 . 1 . 1 75 75 TYR C C 13 174.971 . . . . . . . . 75 Y C . 53388 2 418 . 1 . 1 75 75 TYR CA C 13 58.101 . . . . . . . . 75 Y CA . 53388 2 419 . 1 . 1 75 75 TYR CB C 13 39.025 . . . . . . . . 75 Y CB . 53388 2 420 . 1 . 1 75 75 TYR N N 15 119.522 . . . . . . . . 75 Y N . 53388 2 421 . 1 . 1 76 76 VAL H H 1 7.320 . . . . . . . . 76 V HN . 53388 2 422 . 1 . 1 76 76 VAL C C 13 173.054 . . . . . . . . 76 V C . 53388 2 423 . 1 . 1 76 76 VAL CA C 13 58.613 . . . . . . . . 76 V CA . 53388 2 424 . 1 . 1 76 76 VAL CB C 13 36.501 . . . . . . . . 76 V CB . 53388 2 425 . 1 . 1 76 76 VAL CG1 C 13 21.047 . . . . . . . . 76 V CG1 . 53388 2 426 . 1 . 1 76 76 VAL CG2 C 13 19.138 . . . . . . . . 76 V CG2 . 53388 2 427 . 1 . 1 76 76 VAL N N 15 108.926 . . . . . . . . 76 V N . 53388 2 428 . 1 . 1 77 77 GLU H H 1 8.784 . . . . . . . . 77 E HN . 53388 2 429 . 1 . 1 77 77 GLU C C 13 175.715 . . . . . . . . 77 E C . 53388 2 430 . 1 . 1 77 77 GLU CA C 13 53.154 . . . . . . . . 77 E CA . 53388 2 431 . 1 . 1 77 77 GLU CB C 13 33.146 . . . . . . . . 77 E CB . 53388 2 432 . 1 . 1 77 77 GLU CG C 13 35.313 . . . . . . . . 77 E CG . 53388 2 433 . 1 . 1 77 77 GLU N N 15 115.382 . . . . . . . . 77 E N . 53388 2 434 . 1 . 1 78 78 TYR H H 1 9.472 . . . . . . . . 78 Y HN . 53388 2 435 . 1 . 1 78 78 TYR C C 13 176.032 . . . . . . . . 78 Y C . 53388 2 436 . 1 . 1 78 78 TYR CA C 13 58.611 . . . . . . . . 78 Y CA . 53388 2 437 . 1 . 1 78 78 TYR CB C 13 39.161 . . . . . . . . 78 Y CB . 53388 2 438 . 1 . 1 78 78 TYR N N 15 125.529 . . . . . . . . 78 Y N . 53388 2 439 . 1 . 1 79 79 ILE H H 1 8.344 . . . . . . . . 79 I HN . 53388 2 440 . 1 . 1 79 79 ILE CA C 13 60.990 . . . . . . . . 79 I CA . 53388 2 441 . 1 . 1 79 79 ILE CB C 13 38.881 . . . . . . . . 79 I CB . 53388 2 442 . 1 . 1 79 79 ILE CG1 C 13 27.133 . . . . . . . . 79 I CG1 . 53388 2 443 . 1 . 1 79 79 ILE CG2 C 13 17.509 . . . . . . . . 79 I CG2 . 53388 2 444 . 1 . 1 79 79 ILE CD1 C 13 12.959 . . . . . . . . 79 I CD1 . 53388 2 445 . 1 . 1 79 79 ILE N N 15 122.047 . . . . . . . . 79 I N . 53388 2 446 . 1 . 1 80 80 GLY CA C 13 44.882 . . . . . . . . 80 G CA . 53388 2 447 . 1 . 1 81 81 ARG H H 1 8.340 . . . . . . . . 81 R HN . 53388 2 448 . 1 . 1 81 81 ARG C C 13 176.750 . . . . . . . . 81 R C . 53388 2 449 . 1 . 1 81 81 ARG CA C 13 55.003 . . . . . . . . 81 R CA . 53388 2 450 . 1 . 1 81 81 ARG CB C 13 32.097 . . . . . . . . 81 R CB . 53388 2 451 . 1 . 1 81 81 ARG CG C 13 23.987 . . . . . . . . 81 R CG . 53388 2 452 . 1 . 1 81 81 ARG CD C 13 43.328 . . . . . . . . 81 R CD . 53388 2 453 . 1 . 1 81 81 ARG N N 15 117.092 . . . . . . . . 81 R N . 53388 2 454 . 1 . 1 82 82 LYS H H 1 8.333 . . . . . . . . 82 K HN . 53388 2 455 . 1 . 1 82 82 LYS C C 13 175.193 . . . . . . . . 82 K C . 53388 2 456 . 1 . 1 82 82 LYS CA C 13 55.765 . . . . . . . . 82 K CA . 53388 2 457 . 1 . 1 82 82 LYS CB C 13 34.511 . . . . . . . . 82 K CB . 53388 2 458 . 1 . 1 82 82 LYS CG C 13 24.742 . . . . . . . . 82 K CG . 53388 2 459 . 1 . 1 82 82 LYS CD C 13 29.590 . . . . . . . . 82 K CD . 53388 2 460 . 1 . 1 82 82 LYS CE C 13 42.168 . . . . . . . . 82 K CE . 53388 2 461 . 1 . 1 82 82 LYS N N 15 122.730 . . . . . . . . 82 K N . 53388 2 462 . 1 . 1 83 83 LYS H H 1 8.592 . . . . . . . . 83 K HN . 53388 2 463 . 1 . 1 83 83 LYS C C 13 176.190 . . . . . . . . 83 K C . 53388 2 464 . 1 . 1 83 83 LYS CA C 13 56.289 . . . . . . . . 83 K CA . 53388 2 465 . 1 . 1 83 83 LYS CB C 13 32.903 . . . . . . . . 83 K CB . 53388 2 466 . 1 . 1 83 83 LYS CG C 13 24.768 . . . . . . . . 83 K CG . 53388 2 467 . 1 . 1 83 83 LYS CD C 13 29.108 . . . . . . . . 83 K CD . 53388 2 468 . 1 . 1 83 83 LYS CE C 13 41.911 . . . . . . . . 83 K CE . 53388 2 469 . 1 . 1 83 83 LYS N N 15 127.430 . . . . . . . . 83 K N . 53388 2 470 . 1 . 1 84 84 ILE H H 1 8.369 . . . . . . . . 84 I HN . 53388 2 471 . 1 . 1 84 84 ILE C C 13 174.883 . . . . . . . . 84 I C . 53388 2 472 . 1 . 1 84 84 ILE CA C 13 60.963 . . . . . . . . 84 I CA . 53388 2 473 . 1 . 1 84 84 ILE CB C 13 39.122 . . . . . . . . 84 I CB . 53388 2 474 . 1 . 1 84 84 ILE CG1 C 13 26.561 . . . . . . . . 84 I CG1 . 53388 2 475 . 1 . 1 84 84 ILE CG2 C 13 17.852 . . . . . . . . 84 I CG2 . 53388 2 476 . 1 . 1 84 84 ILE CD1 C 13 13.816 . . . . . . . . 84 I CD1 . 53388 2 477 . 1 . 1 84 84 ILE N N 15 124.370 . . . . . . . . 84 I N . 53388 2 478 . 1 . 1 85 85 SER H H 1 7.963 . . . . . . . . 85 S HN . 53388 2 479 . 1 . 1 85 85 SER CA C 13 56.138 . . . . . . . . 85 S CA . 53388 2 480 . 1 . 1 85 85 SER CB C 13 63.509 . . . . . . . . 85 S CB . 53388 2 481 . 1 . 1 85 85 SER N N 15 119.983 . . . . . . . . 85 S N . 53388 2 482 . 1 . 1 86 86 PRO CA C 13 64.901 . . . . . . . . 86 P CA . 53388 2 483 . 1 . 1 86 86 PRO CB C 13 34.083 . . . . . . . . 86 P CB . 53388 2 484 . 1 . 1 86 86 PRO CG C 13 24.916 . . . . . . . . 86 P CG . 53388 2 485 . 1 . 1 86 86 PRO CD C 13 49.895 . . . . . . . . 86 P CD . 53388 2 stop_ save_