data_27424 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27424 _Entry.Title ; Chemical shifts of PrgK (19-92) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-12 _Entry.Accession_date 2018-03-12 _Entry.Last_release_date 2018-03-12 _Entry.Original_release_date 2018-03-12 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Chemical shift assigments for the two conformations of the T3SS basal body protein PrgK' _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 Julien Bergeron . . . . 27424 2 Lawrence McIntosh . . . . 27424 3 Jacob Brockerman . . . . 27424 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27424 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 454 27424 '15N chemical shifts' 137 27424 '1H chemical shifts' 183 27424 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 3 . . 2022-04-04 2018-03-12 update BMRB 'update Polymer_type' 27424 2 . . 2018-11-13 2018-03-12 update BMRB 'update entry citation' 27424 1 . . 2018-08-15 2018-03-12 original author 'original release' 27424 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27424 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 30095200 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Characterization of the two conformations adopted by the T3SS inner-membrane protein PrgK ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 9 _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 1680 _Citation.Page_last 1691 _Citation.Year 2018 _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 Julien Bergeron . . . . 27424 1 2 Jacob Brockerman . . . . 27424 1 3 Marija Vuckovic . . . . 27424 1 4 Wanyin Deng . . . . 27424 1 5 Mark Okon . . . . 27424 1 6 Lawrence McIntosh . . . . 27424 1 7 Brett Finlay . . . . 27424 1 8 Natalie Strynadka . . . . 27424 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27424 _Assembly.ID 1 _Assembly.Name PrgK _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PrgK, conformer a' 1 $PrgK A . yes native yes no . . . 27424 1 2 'PrgK, conformer b' 1 $PrgK B . yes native yes no . . . 27424 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PrgK _Entity.Sf_category entity _Entity.Sf_framecode PrgK _Entity.Entry_ID 27424 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PrgK _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 ; KDKDLLKGLDQEQANEVIAV LQMHNIEANKIDSGKLGYSI TVAEPDFTAAVYWIKTYQLP PRPRVEIAQMFPAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment PrgK19-92 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 19 LYS . 27424 1 2 20 ASP . 27424 1 3 21 LYS . 27424 1 4 22 ASP . 27424 1 5 23 LEU . 27424 1 6 24 LEU . 27424 1 7 25 LYS . 27424 1 8 26 GLY . 27424 1 9 27 LEU . 27424 1 10 28 ASP . 27424 1 11 29 GLN . 27424 1 12 30 GLU . 27424 1 13 31 GLN . 27424 1 14 32 ALA . 27424 1 15 33 ASN . 27424 1 16 34 GLU . 27424 1 17 35 VAL . 27424 1 18 36 ILE . 27424 1 19 37 ALA . 27424 1 20 38 VAL . 27424 1 21 39 LEU . 27424 1 22 40 GLN . 27424 1 23 41 MET . 27424 1 24 42 HIS . 27424 1 25 43 ASN . 27424 1 26 44 ILE . 27424 1 27 45 GLU . 27424 1 28 46 ALA . 27424 1 29 47 ASN . 27424 1 30 48 LYS . 27424 1 31 49 ILE . 27424 1 32 50 ASP . 27424 1 33 51 SER . 27424 1 34 52 GLY . 27424 1 35 53 LYS . 27424 1 36 54 LEU . 27424 1 37 55 GLY . 27424 1 38 56 TYR . 27424 1 39 57 SER . 27424 1 40 58 ILE . 27424 1 41 59 THR . 27424 1 42 60 VAL . 27424 1 43 61 ALA . 27424 1 44 62 GLU . 27424 1 45 63 PRO . 27424 1 46 64 ASP . 27424 1 47 65 PHE . 27424 1 48 66 THR . 27424 1 49 67 ALA . 27424 1 50 68 ALA . 27424 1 51 69 VAL . 27424 1 52 70 TYR . 27424 1 53 71 TRP . 27424 1 54 72 ILE . 27424 1 55 73 LYS . 27424 1 56 74 THR . 27424 1 57 75 TYR . 27424 1 58 76 GLN . 27424 1 59 77 LEU . 27424 1 60 78 PRO . 27424 1 61 79 PRO . 27424 1 62 80 ARG . 27424 1 63 81 PRO . 27424 1 64 82 ARG . 27424 1 65 83 VAL . 27424 1 66 84 GLU . 27424 1 67 85 ILE . 27424 1 68 86 ALA . 27424 1 69 87 GLN . 27424 1 70 88 MET . 27424 1 71 89 PHE . 27424 1 72 90 PRO . 27424 1 73 91 ALA . 27424 1 74 92 ASP . 27424 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 . LYS 1 1 27424 1 . ASP 2 2 27424 1 . LYS 3 3 27424 1 . ASP 4 4 27424 1 . LEU 5 5 27424 1 . LEU 6 6 27424 1 . LYS 7 7 27424 1 . GLY 8 8 27424 1 . LEU 9 9 27424 1 . ASP 10 10 27424 1 . GLN 11 11 27424 1 . GLU 12 12 27424 1 . GLN 13 13 27424 1 . ALA 14 14 27424 1 . ASN 15 15 27424 1 . GLU 16 16 27424 1 . VAL 17 17 27424 1 . ILE 18 18 27424 1 . ALA 19 19 27424 1 . VAL 20 20 27424 1 . LEU 21 21 27424 1 . GLN 22 22 27424 1 . MET 23 23 27424 1 . HIS 24 24 27424 1 . ASN 25 25 27424 1 . ILE 26 26 27424 1 . GLU 27 27 27424 1 . ALA 28 28 27424 1 . ASN 29 29 27424 1 . LYS 30 30 27424 1 . ILE 31 31 27424 1 . ASP 32 32 27424 1 . SER 33 33 27424 1 . GLY 34 34 27424 1 . LYS 35 35 27424 1 . LEU 36 36 27424 1 . GLY 37 37 27424 1 . TYR 38 38 27424 1 . SER 39 39 27424 1 . ILE 40 40 27424 1 . THR 41 41 27424 1 . VAL 42 42 27424 1 . ALA 43 43 27424 1 . GLU 44 44 27424 1 . PRO 45 45 27424 1 . ASP 46 46 27424 1 . PHE 47 47 27424 1 . THR 48 48 27424 1 . ALA 49 49 27424 1 . ALA 50 50 27424 1 . VAL 51 51 27424 1 . TYR 52 52 27424 1 . TRP 53 53 27424 1 . ILE 54 54 27424 1 . LYS 55 55 27424 1 . THR 56 56 27424 1 . TYR 57 57 27424 1 . GLN 58 58 27424 1 . LEU 59 59 27424 1 . PRO 60 60 27424 1 . PRO 61 61 27424 1 . ARG 62 62 27424 1 . PRO 63 63 27424 1 . ARG 64 64 27424 1 . VAL 65 65 27424 1 . GLU 66 66 27424 1 . ILE 67 67 27424 1 . ALA 68 68 27424 1 . GLN 69 69 27424 1 . MET 70 70 27424 1 . PHE 71 71 27424 1 . PRO 72 72 27424 1 . ALA 73 73 27424 1 . ASP 74 74 27424 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27424 _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 $PrgK . 28901 organism . 'Salmonella typhimurium' 'Salmonella enterica' . . Bacteria . Salmonella typhimurium . . . . . . . . . . . . . 27424 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27424 _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 $PrgK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27424 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PrgK19-92 _Sample.Sf_category sample _Sample.Sf_framecode PrgK19-92 _Sample.Entry_ID 27424 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PrgK '[U-100% 13C; U-100% 15N]' . . 1 $PrgK . . 1 . . mM . . . . 27424 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 27424 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27424 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_PrgK19-92 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_PrgK19-92 _Sample_condition_list.Entry_ID 27424 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 27424 1 pH 6.8 . pH 27424 1 pressure 1 . atm 27424 1 temperature 273 . K 27424 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27424 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27424 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27424 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27424 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27424 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27424 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27424 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27424 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27424 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27424 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $PrgK19-92 isotropic . . 1 $sample_conditions_PrgK19-92 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27424 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $PrgK19-92 isotropic . . 1 $sample_conditions_PrgK19-92 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27424 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $PrgK19-92 isotropic . . 1 $sample_conditions_PrgK19-92 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27424 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $PrgK19-92 isotropic . . 1 $sample_conditions_PrgK19-92 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27424 1 5 '3D HCACO' no . . . . . . . . . . . . 1 $PrgK19-92 isotropic . . 1 $sample_conditions_PrgK19-92 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27424 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $PrgK19-92 isotropic . . 1 $sample_conditions_PrgK19-92 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27424 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27424 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 27424 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27424 1 N 15 DSS nitrogens . . . . ppm 0 internal direct 1 . . . . . 27424 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27424 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_PrgK19-92 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27424 1 2 '3D HNCACB' . . . 27424 1 3 '3D CBCA(CO)NH' . . . 27424 1 4 '3D HNCO' . . . 27424 1 5 '3D HCACO' . . . 27424 1 6 '3D HCCH-TOCSY' . . . 27424 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 LYS H H 1 8.518 . . 1 . . . . . 19 K H . 27424 1 2 . 1 . 1 1 1 LYS C C 13 175.615 . . 1 . . . . . 19 K C . 27424 1 3 . 1 . 1 1 1 LYS CA C 13 55.785 . . 1 . . . . . 19 K CA . 27424 1 4 . 1 . 1 1 1 LYS CB C 13 32.668 . . 1 . . . . . 19 K CB . 27424 1 5 . 1 . 1 1 1 LYS N N 15 122.712 . . 1 . . . . . 19 K N . 27424 1 6 . 1 . 1 2 2 ASP H H 1 8.092 . . 1 . . . . . 20 D H . 27424 1 7 . 1 . 1 2 2 ASP C C 13 175.837 . . 1 . . . . . 20 D C . 27424 1 8 . 1 . 1 2 2 ASP CA C 13 54.040 . . 1 . . . . . 20 D CA . 27424 1 9 . 1 . 1 2 2 ASP CB C 13 41.761 . . 1 . . . . . 20 D CB . 27424 1 10 . 1 . 1 2 2 ASP N N 15 121.489 . . 1 . . . . . 20 D N . 27424 1 11 . 1 . 1 3 3 LYS H H 1 9.100 . . 1 . . . . . 21 K H . 27424 1 12 . 1 . 1 3 3 LYS C C 13 175.583 . . 1 . . . . . 21 K C . 27424 1 13 . 1 . 1 3 3 LYS CA C 13 54.454 . . 1 . . . . . 21 K CA . 27424 1 14 . 1 . 1 3 3 LYS CB C 13 34.828 . . 1 . . . . . 21 K CB . 27424 1 15 . 1 . 1 3 3 LYS N N 15 121.093 . . 1 . . . . . 21 K N . 27424 1 16 . 1 . 1 4 4 ASP H H 1 8.422 . . 1 . . . . . 22 D H . 27424 1 17 . 1 . 1 4 4 ASP C C 13 175.313 . . 1 . . . . . 22 D C . 27424 1 18 . 1 . 1 4 4 ASP CA C 13 55.447 . . 1 . . . . . 22 D CA . 27424 1 19 . 1 . 1 4 4 ASP CB C 13 40.958 . . 1 . . . . . 22 D CB . 27424 1 20 . 1 . 1 4 4 ASP N N 15 122.568 . . 1 . . . . . 22 D N . 27424 1 21 . 1 . 1 5 5 LEU H H 1 9.282 . . 1 . . . . . 23 L H . 27424 1 22 . 1 . 1 5 5 LEU C C 13 175.969 . . 1 . . . . . 23 L C . 27424 1 23 . 1 . 1 5 5 LEU CA C 13 56.194 . . 1 . . . . . 23 L CA . 27424 1 24 . 1 . 1 5 5 LEU CB C 13 45.404 . . 1 . . . . . 23 L CB . 27424 1 25 . 1 . 1 5 5 LEU N N 15 125.050 . . 1 . . . . . 23 L N . 27424 1 26 . 1 . 1 6 6 LEU H H 1 7.362 . . 1 . . . . . 24 L H . 27424 1 27 . 1 . 1 6 6 LEU C C 13 174.860 . . 1 . . . . . 24 L C . 27424 1 28 . 1 . 1 6 6 LEU CA C 13 53.599 . . 1 . . . . . 24 L CA . 27424 1 29 . 1 . 1 6 6 LEU CB C 13 49.773 . . 1 . . . . . 24 L CB . 27424 1 30 . 1 . 1 6 6 LEU N N 15 114.569 . . 1 . . . . . 24 L N . 27424 1 31 . 1 . 1 7 7 LYS H H 1 8.568 . . 1 . . . . . 25 K H . 27424 1 32 . 1 . 1 7 7 LYS C C 13 175.737 . . 1 . . . . . 25 K C . 27424 1 33 . 1 . 1 7 7 LYS CA C 13 55.249 . . 1 . . . . . 25 K CA . 27424 1 34 . 1 . 1 7 7 LYS CB C 13 36.040 . . 1 . . . . . 25 K CB . 27424 1 35 . 1 . 1 7 7 LYS N N 15 118.522 . . 1 . . . . . 25 K N . 27424 1 36 . 1 . 1 8 8 GLY H H 1 8.327 . . 1 . . . . . 26 G H . 27424 1 37 . 1 . 1 8 8 GLY C C 13 175.562 . . 1 . . . . . 26 G C . 27424 1 38 . 1 . 1 8 8 GLY CA C 13 46.558 . . 1 . . . . . 26 G CA . 27424 1 39 . 1 . 1 8 8 GLY N N 15 108.266 . . 1 . . . . . 26 G N . 27424 1 40 . 1 . 1 9 9 LEU H H 1 8.924 . . 1 . . . . . 27 L H . 27424 1 41 . 1 . 1 9 9 LEU C C 13 177.995 . . 1 . . . . . 27 L C . 27424 1 42 . 1 . 1 9 9 LEU CA C 13 54.079 . . 1 . . . . . 27 L CA . 27424 1 43 . 1 . 1 9 9 LEU CB C 13 43.367 . . 1 . . . . . 27 L CB . 27424 1 44 . 1 . 1 9 9 LEU N N 15 119.536 . . 1 . . . . . 27 L N . 27424 1 45 . 1 . 1 10 10 ASP H H 1 8.897 . . 1 . . . . . 28 D H . 27424 1 46 . 1 . 1 10 10 ASP C C 13 176.691 . . 1 . . . . . 28 D C . 27424 1 47 . 1 . 1 10 10 ASP CA C 13 52.707 . . 1 . . . . . 28 D CA . 27424 1 48 . 1 . 1 10 10 ASP CB C 13 41.156 . . 1 . . . . . 28 D CB . 27424 1 49 . 1 . 1 10 10 ASP N N 15 120.197 . . 1 . . . . . 28 D N . 27424 1 50 . 1 . 1 11 11 GLN H H 1 8.684 . . 1 . . . . . 29 Q H . 27424 1 51 . 1 . 1 11 11 GLN C C 13 177.178 . . 1 . . . . . 29 Q C . 27424 1 52 . 1 . 1 11 11 GLN CA C 13 60.060 . . 1 . . . . . 29 Q CA . 27424 1 53 . 1 . 1 11 11 GLN CB C 13 29.039 . . 1 . . . . . 29 Q CB . 27424 1 54 . 1 . 1 11 11 GLN N N 15 117.324 . . 1 . . . . . 29 Q N . 27424 1 55 . 1 . 1 12 12 GLU H H 1 8.052 . . 1 . . . . . 30 E H . 27424 1 56 . 1 . 1 12 12 GLU C C 13 180.334 . . 1 . . . . . 30 E C . 27424 1 57 . 1 . 1 12 12 GLU CA C 13 59.837 . . 1 . . . . . 30 E CA . 27424 1 58 . 1 . 1 12 12 GLU CB C 13 29.066 . . 1 . . . . . 30 E CB . 27424 1 59 . 1 . 1 12 12 GLU N N 15 118.883 . . 1 . . . . . 30 E N . 27424 1 60 . 1 . 1 13 13 GLN H H 1 9.226 . . 1 . . . . . 31 Q H . 27424 1 61 . 1 . 1 13 13 GLN C C 13 178.676 . . 1 . . . . . 31 Q C . 27424 1 62 . 1 . 1 13 13 GLN CA C 13 59.189 . . 1 . . . . . 31 Q CA . 27424 1 63 . 1 . 1 13 13 GLN CB C 13 31.794 . . 1 . . . . . 31 Q CB . 27424 1 64 . 1 . 1 13 13 GLN N N 15 120.203 . . 1 . . . . . 31 Q N . 27424 1 65 . 1 . 1 14 14 ALA H H 1 8.422 . . 1 . . . . . 32 A H . 27424 1 66 . 1 . 1 14 14 ALA C C 13 178.377 . . 1 . . . . . 32 A C . 27424 1 67 . 1 . 1 14 14 ALA CA C 13 55.183 . . 1 . . . . . 32 A CA . 27424 1 68 . 1 . 1 14 14 ALA CB C 13 17.541 . . 1 . . . . . 32 A CB . 27424 1 69 . 1 . 1 14 14 ALA N N 15 119.327 . . 1 . . . . . 32 A N . 27424 1 70 . 1 . 1 15 15 ASN H H 1 8.319 . . 1 . . . . . 33 N H . 27424 1 71 . 1 . 1 15 15 ASN C C 13 178.563 . . 1 . . . . . 33 N C . 27424 1 72 . 1 . 1 15 15 ASN CA C 13 55.431 . . 1 . . . . . 33 N CA . 27424 1 73 . 1 . 1 15 15 ASN CB C 13 37.133 . . 1 . . . . . 33 N CB . 27424 1 74 . 1 . 1 15 15 ASN N N 15 116.191 . . 1 . . . . . 33 N N . 27424 1 75 . 1 . 1 16 16 GLU H H 1 7.896 . . 1 . . . . . 34 E H . 27424 1 76 . 1 . 1 16 16 GLU C C 13 178.133 . . 1 . . . . . 34 E C . 27424 1 77 . 1 . 1 16 16 GLU CA C 13 59.491 . . 1 . . . . . 34 E CA . 27424 1 78 . 1 . 1 16 16 GLU CB C 13 29.367 . . 1 . . . . . 34 E CB . 27424 1 79 . 1 . 1 16 16 GLU N N 15 121.960 . . 1 . . . . . 34 E N . 27424 1 80 . 1 . 1 17 17 VAL H H 1 7.844 . . 1 . . . . . 35 V H . 27424 1 81 . 1 . 1 17 17 VAL C C 13 177.375 . . 1 . . . . . 35 V C . 27424 1 82 . 1 . 1 17 17 VAL CA C 13 67.020 . . 1 . . . . . 35 V CA . 27424 1 83 . 1 . 1 17 17 VAL CB C 13 31.136 . . 1 . . . . . 35 V CB . 27424 1 84 . 1 . 1 17 17 VAL N N 15 117.913 . . 1 . . . . . 35 V N . 27424 1 85 . 1 . 1 18 18 ILE H H 1 8.134 . . 1 . . . . . 36 I H . 27424 1 86 . 1 . 1 18 18 ILE C C 13 178.202 . . 1 . . . . . 36 I C . 27424 1 87 . 1 . 1 18 18 ILE CA C 13 64.530 . . 1 . . . . . 36 I CA . 27424 1 88 . 1 . 1 18 18 ILE CB C 13 36.850 . . 1 . . . . . 36 I CB . 27424 1 89 . 1 . 1 18 18 ILE N N 15 117.739 . . 1 . . . . . 36 I N . 27424 1 90 . 1 . 1 19 19 ALA H H 1 7.831 . . 1 . . . . . 37 A H . 27424 1 91 . 1 . 1 19 19 ALA C C 13 180.705 . . 1 . . . . . 37 A C . 27424 1 92 . 1 . 1 19 19 ALA CA C 13 55.328 . . 1 . . . . . 37 A CA . 27424 1 93 . 1 . 1 19 19 ALA CB C 13 18.096 . . 1 . . . . . 37 A CB . 27424 1 94 . 1 . 1 19 19 ALA N N 15 121.956 . . 1 . . . . . 37 A N . 27424 1 95 . 1 . 1 20 20 VAL H H 1 8.013 . . 1 . . . . . 38 V H . 27424 1 96 . 1 . 1 20 20 VAL C C 13 178.423 . . 1 . . . . . 38 V C . 27424 1 97 . 1 . 1 20 20 VAL CA C 13 66.463 . . 1 . . . . . 38 V CA . 27424 1 98 . 1 . 1 20 20 VAL CB C 13 31.368 . . 1 . . . . . 38 V CB . 27424 1 99 . 1 . 1 20 20 VAL N N 15 119.552 . . 1 . . . . . 38 V N . 27424 1 100 . 1 . 1 21 21 LEU H H 1 8.162 . . 1 . . . . . 39 L H . 27424 1 101 . 1 . 1 21 21 LEU C C 13 179.848 . . 1 . . . . . 39 L C . 27424 1 102 . 1 . 1 21 21 LEU CA C 13 58.694 . . 1 . . . . . 39 L CA . 27424 1 103 . 1 . 1 21 21 LEU CB C 13 39.347 . . 1 . . . . . 39 L CB . 27424 1 104 . 1 . 1 21 21 LEU N N 15 118.911 . . 1 . . . . . 39 L N . 27424 1 105 . 1 . 1 22 22 GLN H H 1 8.502 . . 1 . . . . . 40 Q H . 27424 1 106 . 1 . 1 22 22 GLN C C 13 180.311 . . 1 . . . . . 40 Q C . 27424 1 107 . 1 . 1 22 22 GLN CA C 13 59.243 . . 1 . . . . . 40 Q CA . 27424 1 108 . 1 . 1 22 22 GLN CB C 13 28.255 . . 1 . . . . . 40 Q CB . 27424 1 109 . 1 . 1 22 22 GLN N N 15 120.318 . . 1 . . . . . 40 Q N . 27424 1 110 . 1 . 1 23 23 MET H H 1 7.654 . . 1 . . . . . 41 M H . 27424 1 111 . 1 . 1 23 23 MET C C 13 176.263 . . 1 . . . . . 41 M C . 27424 1 112 . 1 . 1 23 23 MET CA C 13 57.931 . . 1 . . . . . 41 M CA . 27424 1 113 . 1 . 1 23 23 MET CB C 13 31.949 . . 1 . . . . . 41 M CB . 27424 1 114 . 1 . 1 23 23 MET N N 15 119.870 . . 1 . . . . . 41 M N . 27424 1 115 . 1 . 1 24 24 HIS H H 1 7.192 . . 1 . . . . . 42 H H . 27424 1 116 . 1 . 1 24 24 HIS HD2 H 1 6.370 . . 1 . . . . . 42 H HD2 . 27424 1 117 . 1 . 1 24 24 HIS HE1 H 1 7.480 . . 1 . . . . . 42 H HE1 . 27424 1 118 . 1 . 1 24 24 HIS C C 13 172.831 . . 1 . . . . . 42 H C . 27424 1 119 . 1 . 1 24 24 HIS CA C 13 55.639 . . 1 . . . . . 42 H CA . 27424 1 120 . 1 . 1 24 24 HIS CB C 13 27.462 . . 1 . . . . . 42 H CB . 27424 1 121 . 1 . 1 24 24 HIS CG C 13 130.700 . . 1 . . . . . 42 H CG . 27424 1 122 . 1 . 1 24 24 HIS CD2 C 13 121.800 . . 1 . . . . . 42 H CD2 . 27424 1 123 . 1 . 1 24 24 HIS CE1 C 13 136.600 . . 1 . . . . . 42 H CE1 . 27424 1 124 . 1 . 1 24 24 HIS N N 15 116.508 . . 1 . . . . . 42 H N . 27424 1 125 . 1 . 1 25 25 ASN H H 1 7.790 . . 1 . . . . . 43 N H . 27424 1 126 . 1 . 1 25 25 ASN C C 13 173.704 . . 1 . . . . . 43 N C . 27424 1 127 . 1 . 1 25 25 ASN CA C 13 54.725 . . 1 . . . . . 43 N CA . 27424 1 128 . 1 . 1 25 25 ASN CB C 13 37.013 . . 1 . . . . . 43 N CB . 27424 1 129 . 1 . 1 25 25 ASN N N 15 112.468 . . 1 . . . . . 43 N N . 27424 1 130 . 1 . 1 26 26 ILE H H 1 8.036 . . 1 . . . . . 44 I H . 27424 1 131 . 1 . 1 26 26 ILE C C 13 174.582 . . 1 . . . . . 44 I C . 27424 1 132 . 1 . 1 26 26 ILE CA C 13 60.391 . . 1 . . . . . 44 I CA . 27424 1 133 . 1 . 1 26 26 ILE CB C 13 39.893 . . 1 . . . . . 44 I CB . 27424 1 134 . 1 . 1 26 26 ILE N N 15 120.034 . . 1 . . . . . 44 I N . 27424 1 135 . 1 . 1 27 27 GLU H H 1 8.885 . . 1 . . . . . 45 E H . 27424 1 136 . 1 . 1 27 27 GLU C C 13 174.451 . . 1 . . . . . 45 E C . 27424 1 137 . 1 . 1 27 27 GLU CA C 13 56.084 . . 1 . . . . . 45 E CA . 27424 1 138 . 1 . 1 27 27 GLU CB C 13 29.822 . . 1 . . . . . 45 E CB . 27424 1 139 . 1 . 1 27 27 GLU N N 15 128.475 . . 1 . . . . . 45 E N . 27424 1 140 . 1 . 1 28 28 ALA H H 1 7.955 . . 1 . . . . . 46 A H . 27424 1 141 . 1 . 1 28 28 ALA C C 13 175.207 . . 1 . . . . . 46 A C . 27424 1 142 . 1 . 1 28 28 ALA CA C 13 50.326 . . 1 . . . . . 46 A CA . 27424 1 143 . 1 . 1 28 28 ALA CB C 13 23.341 . . 1 . . . . . 46 A CB . 27424 1 144 . 1 . 1 28 28 ALA N N 15 127.270 . . 1 . . . . . 46 A N . 27424 1 145 . 1 . 1 29 29 ASN H H 1 8.755 . . 1 . . . . . 47 N H . 27424 1 146 . 1 . 1 29 29 ASN C C 13 173.466 . . 1 . . . . . 47 N C . 27424 1 147 . 1 . 1 29 29 ASN CA C 13 51.843 . . 1 . . . . . 47 N CA . 27424 1 148 . 1 . 1 29 29 ASN CB C 13 41.251 . . 1 . . . . . 47 N CB . 27424 1 149 . 1 . 1 29 29 ASN N N 15 117.442 . . 1 . . . . . 47 N N . 27424 1 150 . 1 . 1 30 30 LYS H H 1 8.624 . . 1 . . . . . 48 K H . 27424 1 151 . 1 . 1 30 30 LYS C C 13 175.002 . . 1 . . . . . 48 K C . 27424 1 152 . 1 . 1 30 30 LYS CA C 13 54.406 . . 1 . . . . . 48 K CA . 27424 1 153 . 1 . 1 30 30 LYS CB C 13 34.833 . . 1 . . . . . 48 K CB . 27424 1 154 . 1 . 1 30 30 LYS N N 15 120.802 . . 1 . . . . . 48 K N . 27424 1 155 . 1 . 1 31 31 ILE H H 1 9.217 . . 1 . . . . . 49 I H . 27424 1 156 . 1 . 1 31 31 ILE C C 13 175.169 . . 1 . . . . . 49 I C . 27424 1 157 . 1 . 1 31 31 ILE CA C 13 59.705 . . 1 . . . . . 49 I CA . 27424 1 158 . 1 . 1 31 31 ILE CB C 13 39.884 . . 1 . . . . . 49 I CB . 27424 1 159 . 1 . 1 31 31 ILE N N 15 126.815 . . 1 . . . . . 49 I N . 27424 1 160 . 1 . 1 32 32 ASP H H 1 8.852 . . 1 . . . . . 50 D H . 27424 1 161 . 1 . 1 32 32 ASP C C 13 176.411 . . 1 . . . . . 50 D C . 27424 1 162 . 1 . 1 32 32 ASP CA C 13 53.692 . . 1 . . . . . 50 D CA . 27424 1 163 . 1 . 1 32 32 ASP CB C 13 40.927 . . 1 . . . . . 50 D CB . 27424 1 164 . 1 . 1 32 32 ASP N N 15 127.222 . . 1 . . . . . 50 D N . 27424 1 165 . 1 . 1 33 33 SER H H 1 8.053 . . 1 . . . . . 51 S H . 27424 1 166 . 1 . 1 33 33 SER C C 13 176.306 . . 1 . . . . . 51 S C . 27424 1 167 . 1 . 1 33 33 SER CA C 13 57.167 . . 1 . . . . . 51 S CA . 27424 1 168 . 1 . 1 33 33 SER CB C 13 63.324 . . 1 . . . . . 51 S CB . 27424 1 169 . 1 . 1 33 33 SER N N 15 123.592 . . 1 . . . . . 51 S N . 27424 1 170 . 1 . 1 34 34 GLY H H 1 8.653 . . 1 . . . . . 52 G H . 27424 1 171 . 1 . 1 34 34 GLY C C 13 177.045 . . 1 . . . . . 52 G C . 27424 1 172 . 1 . 1 34 34 GLY CA C 13 46.565 . . 1 . . . . . 52 G CA . 27424 1 173 . 1 . 1 34 34 GLY N N 15 112.930 . . 1 . . . . . 52 G N . 27424 1 174 . 1 . 1 35 35 LYS C C 13 177.154 . . 1 . . . . . 53 K C . 27424 1 175 . 1 . 1 35 35 LYS CA C 13 58.421 . . 1 . . . . . 53 K CA . 27424 1 176 . 1 . 1 35 35 LYS CB C 13 31.954 . . 1 . . . . . 53 K CB . 27424 1 177 . 1 . 1 36 36 LEU H H 1 7.451 . . 1 . . . . . 54 L H . 27424 1 178 . 1 . 1 36 36 LEU C C 13 177.423 . . 1 . . . . . 54 L C . 27424 1 179 . 1 . 1 36 36 LEU CA C 13 54.841 . . 1 . . . . . 54 L CA . 27424 1 180 . 1 . 1 36 36 LEU CB C 13 41.180 . . 1 . . . . . 54 L CB . 27424 1 181 . 1 . 1 36 36 LEU N N 15 117.058 . . 1 . . . . . 54 L N . 27424 1 182 . 1 . 1 37 37 GLY H H 1 7.734 . . 1 . . . . . 55 G H . 27424 1 183 . 1 . 1 37 37 GLY C C 13 173.318 . . 1 . . . . . 55 G C . 27424 1 184 . 1 . 1 37 37 GLY CA C 13 44.565 . . 1 . . . . . 55 G CA . 27424 1 185 . 1 . 1 37 37 GLY N N 15 107.547 . . 1 . . . . . 55 G N . 27424 1 186 . 1 . 1 38 38 TYR H H 1 9.842 . . 1 . . . . . 56 Y H . 27424 1 187 . 1 . 1 38 38 TYR C C 13 176.572 . . 1 . . . . . 56 Y C . 27424 1 188 . 1 . 1 38 38 TYR CA C 13 57.957 . . 1 . . . . . 56 Y CA . 27424 1 189 . 1 . 1 38 38 TYR CB C 13 40.803 . . 1 . . . . . 56 Y CB . 27424 1 190 . 1 . 1 38 38 TYR N N 15 119.254 . . 1 . . . . . 56 Y N . 27424 1 191 . 1 . 1 39 39 SER H H 1 9.139 . . 1 . . . . . 57 S H . 27424 1 192 . 1 . 1 39 39 SER C C 13 172.933 . . 1 . . . . . 57 S C . 27424 1 193 . 1 . 1 39 39 SER CA C 13 55.891 . . 1 . . . . . 57 S CA . 27424 1 194 . 1 . 1 39 39 SER CB C 13 65.590 . . 1 . . . . . 57 S CB . 27424 1 195 . 1 . 1 39 39 SER N N 15 114.719 . . 1 . . . . . 57 S N . 27424 1 196 . 1 . 1 40 40 ILE H H 1 8.633 . . 1 . . . . . 58 I H . 27424 1 197 . 1 . 1 40 40 ILE C C 13 176.014 . . 1 . . . . . 58 I C . 27424 1 198 . 1 . 1 40 40 ILE CA C 13 57.166 . . 1 . . . . . 58 I CA . 27424 1 199 . 1 . 1 40 40 ILE CB C 13 39.395 . . 1 . . . . . 58 I CB . 27424 1 200 . 1 . 1 40 40 ILE N N 15 120.731 . . 1 . . . . . 58 I N . 27424 1 201 . 1 . 1 41 41 THR H H 1 8.957 . . 1 . . . . . 59 T H . 27424 1 202 . 1 . 1 41 41 THR C C 13 173.421 . . 1 . . . . . 59 T C . 27424 1 203 . 1 . 1 41 41 THR CA C 13 58.980 . . 1 . . . . . 59 T CA . 27424 1 204 . 1 . 1 41 41 THR CB C 13 71.670 . . 1 . . . . . 59 T CB . 27424 1 205 . 1 . 1 41 41 THR N N 15 118.503 . . 1 . . . . . 59 T N . 27424 1 206 . 1 . 1 42 42 VAL H H 1 8.608 . . 1 . . . . . 60 V H . 27424 1 207 . 1 . 1 42 42 VAL C C 13 174.097 . . 1 . . . . . 60 V C . 27424 1 208 . 1 . 1 42 42 VAL CA C 13 58.733 . . 1 . . . . . 60 V CA . 27424 1 209 . 1 . 1 42 42 VAL CB C 13 36.531 . . 1 . . . . . 60 V CB . 27424 1 210 . 1 . 1 42 42 VAL N N 15 111.712 . . 1 . . . . . 60 V N . 27424 1 211 . 1 . 1 43 43 ALA H H 1 9.369 . . 1 . . . . . 61 A H . 27424 1 212 . 1 . 1 43 43 ALA C C 13 179.556 . . 1 . . . . . 61 A C . 27424 1 213 . 1 . 1 43 43 ALA CA C 13 52.335 . . 1 . . . . . 61 A CA . 27424 1 214 . 1 . 1 43 43 ALA CB C 13 19.892 . . 1 . . . . . 61 A CB . 27424 1 215 . 1 . 1 43 43 ALA N N 15 125.292 . . 1 . . . . . 61 A N . 27424 1 216 . 1 . 1 44 44 GLU H H 1 9.054 . . 1 . . . . . 62 E H . 27424 1 217 . 1 . 1 44 44 GLU C C 13 175.493 . . 1 . . . . . 62 E C . 27424 1 218 . 1 . 1 44 44 GLU CA C 13 62.386 . . 1 . . . . . 62 E CA . 27424 1 219 . 1 . 1 44 44 GLU CB C 13 27.504 . . 1 . . . . . 62 E CB . 27424 1 220 . 1 . 1 44 44 GLU N N 15 122.240 . . 1 . . . . . 62 E N . 27424 1 221 . 1 . 1 45 45 PRO HA H 1 4.512 . . 1 . . . . . 63 P HA . 27424 1 222 . 1 . 1 45 45 PRO HB2 H 1 2.422 . . 2 . . . . . 63 P HB1 . 27424 1 223 . 1 . 1 45 45 PRO HB3 H 1 1.858 . . 2 . . . . . 63 P HB2 . 27424 1 224 . 1 . 1 45 45 PRO HG2 H 1 1.858 . . 2 . . . . . 63 P HG . 27424 1 225 . 1 . 1 45 45 PRO HG3 H 1 1.858 . . 2 . . . . . 63 P HG . 27424 1 226 . 1 . 1 45 45 PRO HD2 H 1 3.859 . . 2 . . . . . 63 P HD1 . 27424 1 227 . 1 . 1 45 45 PRO HD3 H 1 3.627 . . 2 . . . . . 63 P HD2 . 27424 1 228 . 1 . 1 45 45 PRO C C 13 177.359 . . 1 . . . . . 63 P C . 27424 1 229 . 1 . 1 45 45 PRO CA C 13 65.613 . . 1 . . . . . 63 P CA . 27424 1 230 . 1 . 1 45 45 PRO CB C 13 31.158 . . 1 . . . . . 63 P CB . 27424 1 231 . 1 . 1 45 45 PRO CG C 13 27.875 . . 1 . . . . . 63 P CG . 27424 1 232 . 1 . 1 45 45 PRO CD C 13 50.294 . . 1 . . . . . 63 P CD . 27424 1 233 . 1 . 1 45 45 PRO N N 15 134.627 . . 1 . . . . . 63 P N . 27424 1 234 . 1 . 1 46 46 ASP H H 1 7.827 . . 1 . . . . . 64 D H . 27424 1 235 . 1 . 1 46 46 ASP C C 13 175.918 . . 1 . . . . . 64 D C . 27424 1 236 . 1 . 1 46 46 ASP CA C 13 54.796 . . 1 . . . . . 64 D CA . 27424 1 237 . 1 . 1 46 46 ASP CB C 13 43.223 . . 1 . . . . . 64 D CB . 27424 1 238 . 1 . 1 46 46 ASP N N 15 115.103 . . 1 . . . . . 64 D N . 27424 1 239 . 1 . 1 47 47 PHE H H 1 7.945 . . 1 . . . . . 65 F H . 27424 1 240 . 1 . 1 47 47 PHE C C 13 175.602 . . 1 . . . . . 65 F C . 27424 1 241 . 1 . 1 47 47 PHE CA C 13 63.672 . . 1 . . . . . 65 F CA . 27424 1 242 . 1 . 1 47 47 PHE CB C 13 40.380 . . 1 . . . . . 65 F CB . 27424 1 243 . 1 . 1 47 47 PHE N N 15 121.940 . . 1 . . . . . 65 F N . 27424 1 244 . 1 . 1 48 48 THR H H 1 8.721 . . 1 . . . . . 66 T H . 27424 1 245 . 1 . 1 48 48 THR C C 13 177.194 . . 1 . . . . . 66 T C . 27424 1 246 . 1 . 1 48 48 THR CA C 13 66.876 . . 1 . . . . . 66 T CA . 27424 1 247 . 1 . 1 48 48 THR CB C 13 68.311 . . 1 . . . . . 66 T CB . 27424 1 248 . 1 . 1 48 48 THR N N 15 113.053 . . 1 . . . . . 66 T N . 27424 1 249 . 1 . 1 49 49 ALA H H 1 8.345 . . 1 . . . . . 67 A H . 27424 1 250 . 1 . 1 49 49 ALA C C 13 178.149 . . 1 . . . . . 67 A C . 27424 1 251 . 1 . 1 49 49 ALA CA C 13 54.794 . . 1 . . . . . 67 A CA . 27424 1 252 . 1 . 1 49 49 ALA CB C 13 18.556 . . 1 . . . . . 67 A CB . 27424 1 253 . 1 . 1 49 49 ALA N N 15 125.093 . . 1 . . . . . 67 A N . 27424 1 254 . 1 . 1 50 50 ALA H H 1 8.562 . . 1 . . . . . 68 A H . 27424 1 255 . 1 . 1 50 50 ALA C C 13 179.196 . . 1 . . . . . 68 A C . 27424 1 256 . 1 . 1 50 50 ALA CA C 13 55.908 . . 1 . . . . . 68 A CA . 27424 1 257 . 1 . 1 50 50 ALA CB C 13 19.827 . . 1 . . . . . 68 A CB . 27424 1 258 . 1 . 1 50 50 ALA N N 15 119.666 . . 1 . . . . . 68 A N . 27424 1 259 . 1 . 1 51 51 VAL H H 1 8.243 . . 1 . . . . . 69 V H . 27424 1 260 . 1 . 1 51 51 VAL C C 13 177.721 . . 1 . . . . . 69 V C . 27424 1 261 . 1 . 1 51 51 VAL CA C 13 66.766 . . 1 . . . . . 69 V CA . 27424 1 262 . 1 . 1 51 51 VAL CB C 13 31.652 . . 1 . . . . . 69 V CB . 27424 1 263 . 1 . 1 51 51 VAL N N 15 117.294 . . 1 . . . . . 69 V N . 27424 1 264 . 1 . 1 52 52 TYR H H 1 7.412 . . 1 . . . . . 70 Y H . 27424 1 265 . 1 . 1 52 52 TYR C C 13 179.508 . . 1 . . . . . 70 Y C . 27424 1 266 . 1 . 1 52 52 TYR CA C 13 61.692 . . 1 . . . . . 70 Y CA . 27424 1 267 . 1 . 1 52 52 TYR CB C 13 37.099 . . 1 . . . . . 70 Y CB . 27424 1 268 . 1 . 1 52 52 TYR N N 15 120.186 . . 1 . . . . . 70 Y N . 27424 1 269 . 1 . 1 53 53 TRP H H 1 8.397 . . 1 . . . . . 71 W H . 27424 1 270 . 1 . 1 53 53 TRP C C 13 178.694 . . 1 . . . . . 71 W C . 27424 1 271 . 1 . 1 53 53 TRP CA C 13 60.004 . . 1 . . . . . 71 W CA . 27424 1 272 . 1 . 1 53 53 TRP CB C 13 29.514 . . 1 . . . . . 71 W CB . 27424 1 273 . 1 . 1 53 53 TRP N N 15 122.404 . . 1 . . . . . 71 W N . 27424 1 274 . 1 . 1 54 54 ILE H H 1 8.550 . . 1 . . . . . 72 I H . 27424 1 275 . 1 . 1 54 54 ILE C C 13 178.171 . . 1 . . . . . 72 I C . 27424 1 276 . 1 . 1 54 54 ILE CA C 13 65.099 . . 1 . . . . . 72 I CA . 27424 1 277 . 1 . 1 54 54 ILE CB C 13 36.602 . . 1 . . . . . 72 I CB . 27424 1 278 . 1 . 1 54 54 ILE N N 15 118.453 . . 1 . . . . . 72 I N . 27424 1 279 . 1 . 1 55 55 LYS H H 1 7.976 . . 1 . . . . . 73 K H . 27424 1 280 . 1 . 1 55 55 LYS C C 13 180.380 . . 1 . . . . . 73 K C . 27424 1 281 . 1 . 1 55 55 LYS CA C 13 59.105 . . 1 . . . . . 73 K CA . 27424 1 282 . 1 . 1 55 55 LYS CB C 13 31.925 . . 1 . . . . . 73 K CB . 27424 1 283 . 1 . 1 55 55 LYS N N 15 119.625 . . 1 . . . . . 73 K N . 27424 1 284 . 1 . 1 56 56 THR H H 1 8.215 . . 1 . . . . . 74 T H . 27424 1 285 . 1 . 1 56 56 THR C C 13 175.700 . . 1 . . . . . 74 T C . 27424 1 286 . 1 . 1 56 56 THR CA C 13 66.894 . . 1 . . . . . 74 T CA . 27424 1 287 . 1 . 1 56 56 THR CB C 13 68.724 . . 1 . . . . . 74 T CB . 27424 1 288 . 1 . 1 56 56 THR N N 15 118.423 . . 1 . . . . . 74 T N . 27424 1 289 . 1 . 1 57 57 TYR H H 1 8.115 . . 1 . . . . . 75 Y H . 27424 1 290 . 1 . 1 57 57 TYR C C 13 173.925 . . 1 . . . . . 75 Y C . 27424 1 291 . 1 . 1 57 57 TYR CA C 13 58.978 . . 1 . . . . . 75 Y CA . 27424 1 292 . 1 . 1 57 57 TYR CB C 13 38.034 . . 1 . . . . . 75 Y CB . 27424 1 293 . 1 . 1 57 57 TYR N N 15 117.558 . . 1 . . . . . 75 Y N . 27424 1 294 . 1 . 1 58 58 GLN H H 1 7.699 . . 1 . . . . . 76 Q H . 27424 1 295 . 1 . 1 58 58 GLN C C 13 174.625 . . 1 . . . . . 76 Q C . 27424 1 296 . 1 . 1 58 58 GLN CA C 13 56.736 . . 1 . . . . . 76 Q CA . 27424 1 297 . 1 . 1 58 58 GLN CB C 13 26.027 . . 1 . . . . . 76 Q CB . 27424 1 298 . 1 . 1 58 58 GLN N N 15 116.921 . . 1 . . . . . 76 Q N . 27424 1 299 . 1 . 1 59 59 LEU H H 1 8.155 . . 1 . . . . . 77 L H . 27424 1 300 . 1 . 1 59 59 LEU C C 13 174.823 . . 1 . . . . . 77 L C . 27424 1 301 . 1 . 1 59 59 LEU CA C 13 52.323 . . 1 . . . . . 77 L CA . 27424 1 302 . 1 . 1 59 59 LEU CB C 13 42.919 . . 1 . . . . . 77 L CB . 27424 1 303 . 1 . 1 59 59 LEU N N 15 117.173 . . 1 . . . . . 77 L N . 27424 1 304 . 1 . 1 60 60 PRO HA H 1 4.539 . . 1 . . . . . 78 P HA . 27424 1 305 . 1 . 1 60 60 PRO HB2 H 1 2.136 . . 2 . . . . . 78 P HB1 . 27424 1 306 . 1 . 1 60 60 PRO HB3 H 1 2.031 . . 2 . . . . . 78 P HB2 . 27424 1 307 . 1 . 1 60 60 PRO HG2 H 1 1.889 . . 2 . . . . . 78 P HG . 27424 1 308 . 1 . 1 60 60 PRO HG3 H 1 1.889 . . 2 . . . . . 78 P HG . 27424 1 309 . 1 . 1 60 60 PRO HD2 H 1 3.678 . . 2 . . . . . 78 P HD1 . 27424 1 310 . 1 . 1 60 60 PRO HD3 H 1 3.337 . . 2 . . . . . 78 P HD2 . 27424 1 311 . 1 . 1 60 60 PRO CA C 13 60.832 . . 1 . . . . . 78 P CA . 27424 1 312 . 1 . 1 60 60 PRO CB C 13 33.470 . . 1 . . . . . 78 P CB . 27424 1 313 . 1 . 1 60 60 PRO CG C 13 23.958 . . 1 . . . . . 78 P CG . 27424 1 314 . 1 . 1 60 60 PRO CD C 13 50.279 . . 1 . . . . . 78 P CD . 27424 1 315 . 1 . 1 60 60 PRO N N 15 130.340 . . 1 . . . . . 78 P N . 27424 1 316 . 1 . 1 61 61 PRO HA H 1 4.690 . . 1 . . . . . 79 P HA . 27424 1 317 . 1 . 1 61 61 PRO HB2 H 1 2.371 . . 2 . . . . . 79 P HB1 . 27424 1 318 . 1 . 1 61 61 PRO HB3 H 1 1.989 . . 2 . . . . . 79 P HB2 . 27424 1 319 . 1 . 1 61 61 PRO HG2 H 1 2.085 . . 2 . . . . . 79 P HG . 27424 1 320 . 1 . 1 61 61 PRO HG3 H 1 2.085 . . 2 . . . . . 79 P HG . 27424 1 321 . 1 . 1 61 61 PRO HD2 H 1 3.644 . . 2 . . . . . 79 P HD1 . 27424 1 322 . 1 . 1 61 61 PRO HD3 H 1 3.496 . . 2 . . . . . 79 P HD2 . 27424 1 323 . 1 . 1 61 61 PRO C C 13 175.929 . . 1 . . . . . 79 P C . 27424 1 324 . 1 . 1 61 61 PRO CA C 13 62.668 . . 1 . . . . . 79 P CA . 27424 1 325 . 1 . 1 61 61 PRO CB C 13 31.804 . . 1 . . . . . 79 P CB . 27424 1 326 . 1 . 1 61 61 PRO CG C 13 27.652 . . 1 . . . . . 79 P CG . 27424 1 327 . 1 . 1 61 61 PRO CD C 13 50.033 . . 1 . . . . . 79 P CD . 27424 1 328 . 1 . 1 61 61 PRO N N 15 133.003 . . 1 . . . . . 79 P N . 27424 1 329 . 1 . 1 62 62 ARG H H 1 8.536 . . 1 . . . . . 80 R H . 27424 1 330 . 1 . 1 62 62 ARG C C 13 174.339 . . 1 . . . . . 80 R C . 27424 1 331 . 1 . 1 62 62 ARG CA C 13 54.499 . . 1 . . . . . 80 R CA . 27424 1 332 . 1 . 1 62 62 ARG CB C 13 29.466 . . 1 . . . . . 80 R CB . 27424 1 333 . 1 . 1 62 62 ARG N N 15 120.718 . . 1 . . . . . 80 R N . 27424 1 334 . 1 . 1 63 63 PRO HA H 1 4.408 . . 1 . . . . . 81 P HA . 27424 1 335 . 1 . 1 63 63 PRO HB2 H 1 2.294 . . 2 . . . . . 81 P HB1 . 27424 1 336 . 1 . 1 63 63 PRO HB3 H 1 1.882 . . 2 . . . . . 81 P HB2 . 27424 1 337 . 1 . 1 63 63 PRO HG2 H 1 2.033 . . 2 . . . . . 81 P HG . 27424 1 338 . 1 . 1 63 63 PRO HG3 H 1 2.033 . . 2 . . . . . 81 P HG . 27424 1 339 . 1 . 1 63 63 PRO HD2 H 1 3.786 . . 2 . . . . . 81 P HD1 . 27424 1 340 . 1 . 1 63 63 PRO HD3 H 1 3.633 . . 2 . . . . . 81 P HD2 . 27424 1 341 . 1 . 1 63 63 PRO C C 13 176.909 . . 1 . . . . . 81 P C . 27424 1 342 . 1 . 1 63 63 PRO CA C 13 62.879 . . 1 . . . . . 81 P CA . 27424 1 343 . 1 . 1 63 63 PRO CB C 13 32.105 . . 1 . . . . . 81 P CB . 27424 1 344 . 1 . 1 63 63 PRO CG C 13 27.445 . . 1 . . . . . 81 P CG . 27424 1 345 . 1 . 1 63 63 PRO CD C 13 50.397 . . 1 . . . . . 81 P CD . 27424 1 346 . 1 . 1 64 64 ARG H H 1 8.938 . . 1 . . . . . 82 R H . 27424 1 347 . 1 . 1 64 64 ARG C C 13 176.705 . . 1 . . . . . 82 R C . 27424 1 348 . 1 . 1 64 64 ARG CA C 13 56.843 . . 1 . . . . . 82 R CA . 27424 1 349 . 1 . 1 64 64 ARG CB C 13 30.636 . . 1 . . . . . 82 R CB . 27424 1 350 . 1 . 1 64 64 ARG N N 15 122.964 . . 1 . . . . . 82 R N . 27424 1 351 . 1 . 1 65 65 VAL H H 1 8.109 . . 1 . . . . . 83 V H . 27424 1 352 . 1 . 1 65 65 VAL C C 13 175.784 . . 1 . . . . . 83 V C . 27424 1 353 . 1 . 1 65 65 VAL CA C 13 62.114 . . 1 . . . . . 83 V CA . 27424 1 354 . 1 . 1 65 65 VAL CB C 13 33.010 . . 1 . . . . . 83 V CB . 27424 1 355 . 1 . 1 65 65 VAL N N 15 120.387 . . 1 . . . . . 83 V N . 27424 1 356 . 1 . 1 66 66 GLU H H 1 8.479 . . 1 . . . . . 84 E H . 27424 1 357 . 1 . 1 66 66 GLU C C 13 176.486 . . 1 . . . . . 84 E C . 27424 1 358 . 1 . 1 66 66 GLU CA C 13 56.500 . . 1 . . . . . 84 E CA . 27424 1 359 . 1 . 1 66 66 GLU CB C 13 30.275 . . 1 . . . . . 84 E CB . 27424 1 360 . 1 . 1 66 66 GLU N N 15 124.457 . . 1 . . . . . 84 E N . 27424 1 361 . 1 . 1 67 67 ILE H H 1 8.158 . . 1 . . . . . 85 I H . 27424 1 362 . 1 . 1 67 67 ILE C C 13 176.074 . . 1 . . . . . 85 I C . 27424 1 363 . 1 . 1 67 67 ILE CA C 13 61.377 . . 1 . . . . . 85 I CA . 27424 1 364 . 1 . 1 67 67 ILE CB C 13 38.644 . . 1 . . . . . 85 I CB . 27424 1 365 . 1 . 1 67 67 ILE N N 15 122.439 . . 1 . . . . . 85 I N . 27424 1 366 . 1 . 1 68 68 ALA H H 1 8.332 . . 1 . . . . . 86 A H . 27424 1 367 . 1 . 1 68 68 ALA C C 13 177.539 . . 1 . . . . . 86 A C . 27424 1 368 . 1 . 1 68 68 ALA CA C 13 52.724 . . 1 . . . . . 86 A CA . 27424 1 369 . 1 . 1 68 68 ALA CB C 13 19.169 . . 1 . . . . . 86 A CB . 27424 1 370 . 1 . 1 68 68 ALA N N 15 127.201 . . 1 . . . . . 86 A N . 27424 1 371 . 1 . 1 69 69 GLN H H 1 8.180 . . 1 . . . . . 87 Q H . 27424 1 372 . 1 . 1 69 69 GLN C C 13 175.612 . . 1 . . . . . 87 Q C . 27424 1 373 . 1 . 1 69 69 GLN CA C 13 55.793 . . 1 . . . . . 87 Q CA . 27424 1 374 . 1 . 1 69 69 GLN CB C 13 29.448 . . 1 . . . . . 87 Q CB . 27424 1 375 . 1 . 1 69 69 GLN N N 15 118.938 . . 1 . . . . . 87 Q N . 27424 1 376 . 1 . 1 70 70 MET H H 1 8.162 . . 1 . . . . . 88 M H . 27424 1 377 . 1 . 1 70 70 MET C C 13 175.302 . . 1 . . . . . 88 M C . 27424 1 378 . 1 . 1 70 70 MET CA C 13 55.515 . . 1 . . . . . 88 M CA . 27424 1 379 . 1 . 1 70 70 MET CB C 13 33.100 . . 1 . . . . . 88 M CB . 27424 1 380 . 1 . 1 70 70 MET N N 15 121.321 . . 1 . . . . . 88 M N . 27424 1 381 . 1 . 1 71 71 PHE H H 1 8.161 . . 1 . . . . . 89 F H . 27424 1 382 . 1 . 1 71 71 PHE C C 13 173.543 . . 1 . . . . . 89 F C . 27424 1 383 . 1 . 1 71 71 PHE CA C 13 55.488 . . 1 . . . . . 89 F CA . 27424 1 384 . 1 . 1 71 71 PHE CB C 13 39.162 . . 1 . . . . . 89 F CB . 27424 1 385 . 1 . 1 71 71 PHE N N 15 121.243 . . 1 . . . . . 89 F N . 27424 1 386 . 1 . 1 72 72 PRO HA H 1 4.409 . . 1 . . . . . 90 P HA . 27424 1 387 . 1 . 1 72 72 PRO C C 13 176.402 . . 1 . . . . . 90 P C . 27424 1 388 . 1 . 1 72 72 PRO CA C 13 63.131 . . 1 . . . . . 90 P CA . 27424 1 389 . 1 . 1 72 72 PRO CB C 13 32.055 . . 1 . . . . . 90 P CB . 27424 1 390 . 1 . 1 72 72 PRO CG C 13 26.439 . . 1 . . . . . 90 P CG . 27424 1 391 . 1 . 1 72 72 PRO CD C 13 49.359 . . 1 . . . . . 90 P CD . 27424 1 392 . 1 . 1 73 73 ALA H H 1 8.402 . . 1 . . . . . 91 A H . 27424 1 393 . 1 . 1 73 73 ALA C C 13 176.542 . . 1 . . . . . 91 A C . 27424 1 394 . 1 . 1 73 73 ALA CA C 13 52.294 . . 1 . . . . . 91 A CA . 27424 1 395 . 1 . 1 73 73 ALA CB C 13 19.632 . . 1 . . . . . 91 A CB . 27424 1 396 . 1 . 1 73 73 ALA N N 15 125.239 . . 1 . . . . . 91 A N . 27424 1 397 . 1 . 1 74 74 ASP H H 1 7.875 . . 1 . . . . . 92 D H . 27424 1 398 . 1 . 1 74 74 ASP C C 13 180.896 . . 1 . . . . . 92 D C . 27424 1 399 . 1 . 1 74 74 ASP CA C 13 55.877 . . 1 . . . . . 92 D CA . 27424 1 400 . 1 . 1 74 74 ASP CB C 13 42.283 . . 1 . . . . . 92 D CB . 27424 1 401 . 1 . 1 74 74 ASP N N 15 125.166 . . 1 . . . . . 92 D N . 27424 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27424 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_PrgK19-92 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27424 2 2 '3D HNCACB' . . . 27424 2 3 '3D CBCA(CO)NH' . . . 27424 2 4 '3D HNCO' . . . 27424 2 5 '3D HCACO' . . . 27424 2 6 '3D HCCH-TOCSY' . . . 27424 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 . 2 . 1 1 1 LYS H H 1 8.518 . . 1 . . . . . 19 K H . 27424 2 2 . 2 . 1 1 1 LYS C C 13 175.615 . . 1 . . . . . 19 K C . 27424 2 3 . 2 . 1 1 1 LYS CA C 13 55.785 . . 1 . . . . . 19 K CA . 27424 2 4 . 2 . 1 1 1 LYS CB C 13 32.668 . . 1 . . . . . 19 K CB . 27424 2 5 . 2 . 1 1 1 LYS N N 15 122.712 . . 1 . . . . . 19 K N . 27424 2 6 . 2 . 1 2 2 ASP H H 1 8.092 . . 1 . . . . . 20 D H . 27424 2 7 . 2 . 1 2 2 ASP C C 13 175.837 . . 1 . . . . . 20 D C . 27424 2 8 . 2 . 1 2 2 ASP CA C 13 54.040 . . 1 . . . . . 20 D CA . 27424 2 9 . 2 . 1 2 2 ASP CB C 13 41.761 . . 1 . . . . . 20 D CB . 27424 2 10 . 2 . 1 2 2 ASP N N 15 121.489 . . 1 . . . . . 20 D N . 27424 2 11 . 2 . 1 3 3 LYS H H 1 9.100 . . 1 . . . . . 21 K H . 27424 2 12 . 2 . 1 3 3 LYS C C 13 175.583 . . 1 . . . . . 21 K C . 27424 2 13 . 2 . 1 3 3 LYS CA C 13 54.454 . . 1 . . . . . 21 K CA . 27424 2 14 . 2 . 1 3 3 LYS CB C 13 34.828 . . 1 . . . . . 21 K CB . 27424 2 15 . 2 . 1 3 3 LYS N N 15 121.093 . . 1 . . . . . 21 K N . 27424 2 16 . 2 . 1 4 4 ASP H H 1 8.422 . . 1 . . . . . 22 D H . 27424 2 17 . 2 . 1 4 4 ASP C C 13 175.313 . . 1 . . . . . 22 D C . 27424 2 18 . 2 . 1 4 4 ASP CA C 13 55.447 . . 1 . . . . . 22 D CA . 27424 2 19 . 2 . 1 4 4 ASP CB C 13 40.958 . . 1 . . . . . 22 D CB . 27424 2 20 . 2 . 1 4 4 ASP N N 15 122.568 . . 1 . . . . . 22 D N . 27424 2 21 . 2 . 1 5 5 LEU H H 1 9.282 . . 1 . . . . . 23 L H . 27424 2 22 . 2 . 1 5 5 LEU C C 13 175.969 . . 1 . . . . . 23 L C . 27424 2 23 . 2 . 1 5 5 LEU CA C 13 56.194 . . 1 . . . . . 23 L CA . 27424 2 24 . 2 . 1 5 5 LEU CB C 13 45.404 . . 1 . . . . . 23 L CB . 27424 2 25 . 2 . 1 5 5 LEU N N 15 125.050 . . 1 . . . . . 23 L N . 27424 2 26 . 2 . 1 6 6 LEU H H 1 7.362 . . 1 . . . . . 24 L H . 27424 2 27 . 2 . 1 6 6 LEU C C 13 174.860 . . 1 . . . . . 24 L C . 27424 2 28 . 2 . 1 6 6 LEU CA C 13 53.599 . . 1 . . . . . 24 L CA . 27424 2 29 . 2 . 1 6 6 LEU CB C 13 49.773 . . 1 . . . . . 24 L CB . 27424 2 30 . 2 . 1 6 6 LEU N N 15 114.569 . . 1 . . . . . 24 L N . 27424 2 31 . 2 . 1 7 7 LYS H H 1 8.474 . . 1 . . . . . 25 K H . 27424 2 32 . 2 . 1 7 7 LYS C C 13 175.716 . . 1 . . . . . 25 K C . 27424 2 33 . 2 . 1 7 7 LYS CA C 13 55.252 . . 1 . . . . . 25 K CA . 27424 2 34 . 2 . 1 7 7 LYS CB C 13 36.052 . . 1 . . . . . 25 K CB . 27424 2 35 . 2 . 1 7 7 LYS N N 15 118.449 . . 1 . . . . . 25 K N . 27424 2 36 . 2 . 1 8 8 GLY H H 1 8.269 . . 1 . . . . . 26 G H . 27424 2 37 . 2 . 1 8 8 GLY C C 13 175.474 . . 1 . . . . . 26 G C . 27424 2 38 . 2 . 1 8 8 GLY CA C 13 46.487 . . 1 . . . . . 26 G CA . 27424 2 39 . 2 . 1 8 8 GLY N N 15 108.228 . . 1 . . . . . 26 G N . 27424 2 40 . 2 . 1 9 9 LEU H H 1 8.877 . . 1 . . . . . 27 L H . 27424 2 41 . 2 . 1 9 9 LEU C C 13 178.036 . . 1 . . . . . 27 L C . 27424 2 42 . 2 . 1 9 9 LEU CA C 13 54.441 . . 1 . . . . . 27 L CA . 27424 2 43 . 2 . 1 9 9 LEU CB C 13 43.578 . . 1 . . . . . 27 L CB . 27424 2 44 . 2 . 1 9 9 LEU N N 15 119.854 . . 1 . . . . . 27 L N . 27424 2 45 . 2 . 1 10 10 ASP C C 13 176.488 . . 1 . . . . . 28 D C . 27424 2 46 . 2 . 1 10 10 ASP CA C 13 52.718 . . 1 . . . . . 28 D CA . 27424 2 47 . 2 . 1 10 10 ASP CB C 13 41.279 . . 1 . . . . . 28 D CB . 27424 2 48 . 2 . 1 11 11 GLN H H 1 8.718 . . 1 . . . . . 29 Q H . 27424 2 49 . 2 . 1 11 11 GLN C C 13 177.087 . . 1 . . . . . 29 Q C . 27424 2 50 . 2 . 1 11 11 GLN CA C 13 60.052 . . 1 . . . . . 29 Q CA . 27424 2 51 . 2 . 1 11 11 GLN CB C 13 28.950 . . 1 . . . . . 29 Q CB . 27424 2 52 . 2 . 1 11 11 GLN N N 15 118.262 . . 1 . . . . . 29 Q N . 27424 2 53 . 2 . 1 12 12 GLU H H 1 8.137 . . 1 . . . . . 30 E H . 27424 2 54 . 2 . 1 12 12 GLU C C 13 180.020 . . 1 . . . . . 30 E C . 27424 2 55 . 2 . 1 12 12 GLU CA C 13 59.841 . . 1 . . . . . 30 E CA . 27424 2 56 . 2 . 1 12 12 GLU CB C 13 29.082 . . 1 . . . . . 30 E CB . 27424 2 57 . 2 . 1 12 12 GLU N N 15 118.339 . . 1 . . . . . 30 E N . 27424 2 58 . 2 . 1 13 13 GLN H H 1 8.764 . . 1 . . . . . 31 Q H . 27424 2 59 . 2 . 1 13 13 GLN C C 13 178.599 . . 1 . . . . . 31 Q C . 27424 2 60 . 2 . 1 13 13 GLN CA C 13 58.739 . . 1 . . . . . 31 Q CA . 27424 2 61 . 2 . 1 13 13 GLN CB C 13 29.994 . . 1 . . . . . 31 Q CB . 27424 2 62 . 2 . 1 13 13 GLN N N 15 120.146 . . 1 . . . . . 31 Q N . 27424 2 63 . 2 . 1 14 14 ALA H H 1 8.435 . . 1 . . . . . 32 A H . 27424 2 64 . 2 . 1 14 14 ALA C C 13 178.396 . . 1 . . . . . 32 A C . 27424 2 65 . 2 . 1 14 14 ALA CA C 13 55.218 . . 1 . . . . . 32 A CA . 27424 2 66 . 2 . 1 14 14 ALA CB C 13 17.454 . . 1 . . . . . 32 A CB . 27424 2 67 . 2 . 1 14 14 ALA N N 15 120.044 . . 1 . . . . . 32 A N . 27424 2 68 . 2 . 1 15 15 ASN H H 1 8.095 . . 1 . . . . . 33 N H . 27424 2 69 . 2 . 1 15 15 ASN C C 13 178.614 . . 1 . . . . . 33 N C . 27424 2 70 . 2 . 1 15 15 ASN CA C 13 55.472 . . 1 . . . . . 33 N CA . 27424 2 71 . 2 . 1 15 15 ASN CB C 13 37.182 . . 1 . . . . . 33 N CB . 27424 2 72 . 2 . 1 15 15 ASN N N 15 115.621 . . 1 . . . . . 33 N N . 27424 2 73 . 2 . 1 16 16 GLU H H 1 7.978 . . 1 . . . . . 34 E H . 27424 2 74 . 2 . 1 16 16 GLU C C 13 178.400 . . 1 . . . . . 34 E C . 27424 2 75 . 2 . 1 16 16 GLU CA C 13 59.634 . . 1 . . . . . 34 E CA . 27424 2 76 . 2 . 1 16 16 GLU CB C 13 29.423 . . 1 . . . . . 34 E CB . 27424 2 77 . 2 . 1 16 16 GLU N N 15 122.578 . . 1 . . . . . 34 E N . 27424 2 78 . 2 . 1 17 17 VAL H H 1 8.067 . . 1 . . . . . 35 V H . 27424 2 79 . 2 . 1 17 17 VAL C C 13 177.722 . . 1 . . . . . 35 V C . 27424 2 80 . 2 . 1 17 17 VAL CA C 13 66.840 . . 1 . . . . . 35 V CA . 27424 2 81 . 2 . 1 17 17 VAL CB C 13 31.081 . . 1 . . . . . 35 V CB . 27424 2 82 . 2 . 1 17 17 VAL N N 15 119.464 . . 1 . . . . . 35 V N . 27424 2 83 . 2 . 1 18 18 ILE H H 1 8.051 . . 1 . . . . . 36 I H . 27424 2 84 . 2 . 1 18 18 ILE C C 13 178.412 . . 1 . . . . . 36 I C . 27424 2 85 . 2 . 1 18 18 ILE CA C 13 64.469 . . 1 . . . . . 36 I CA . 27424 2 86 . 2 . 1 18 18 ILE CB C 13 36.638 . . 1 . . . . . 36 I CB . 27424 2 87 . 2 . 1 18 18 ILE N N 15 118.630 . . 1 . . . . . 36 I N . 27424 2 88 . 2 . 1 19 19 ALA H H 1 7.687 . . 1 . . . . . 37 A H . 27424 2 89 . 2 . 1 19 19 ALA C C 13 180.642 . . 1 . . . . . 37 A C . 27424 2 90 . 2 . 1 19 19 ALA CA C 13 55.376 . . 1 . . . . . 37 A CA . 27424 2 91 . 2 . 1 19 19 ALA CB C 13 17.953 . . 1 . . . . . 37 A CB . 27424 2 92 . 2 . 1 19 19 ALA N N 15 122.060 . . 1 . . . . . 37 A N . 27424 2 93 . 2 . 1 20 20 VAL H H 1 8.103 . . 1 . . . . . 38 V H . 27424 2 94 . 2 . 1 20 20 VAL C C 13 178.367 . . 1 . . . . . 38 V C . 27424 2 95 . 2 . 1 20 20 VAL CA C 13 66.420 . . 1 . . . . . 38 V CA . 27424 2 96 . 2 . 1 20 20 VAL CB C 13 31.668 . . 1 . . . . . 38 V CB . 27424 2 97 . 2 . 1 20 20 VAL N N 15 120.466 . . 1 . . . . . 38 V N . 27424 2 98 . 2 . 1 21 21 LEU C C 13 180.064 . . 1 . . . . . 39 L C . 27424 2 99 . 2 . 1 21 21 LEU CA C 13 58.507 . . 1 . . . . . 39 L CA . 27424 2 100 . 2 . 1 21 21 LEU CB C 13 39.443 . . 1 . . . . . 39 L CB . 27424 2 101 . 2 . 1 22 22 GLN H H 1 8.589 . . 1 . . . . . 40 Q H . 27424 2 102 . 2 . 1 22 22 GLN C C 13 180.292 . . 1 . . . . . 40 Q C . 27424 2 103 . 2 . 1 22 22 GLN CA C 13 59.255 . . 1 . . . . . 40 Q CA . 27424 2 104 . 2 . 1 22 22 GLN CB C 13 28.281 . . 1 . . . . . 40 Q CB . 27424 2 105 . 2 . 1 22 22 GLN N N 15 121.160 . . 1 . . . . . 40 Q N . 27424 2 106 . 2 . 1 23 23 MET H H 1 7.659 . . 1 . . . . . 41 M H . 27424 2 107 . 2 . 1 23 23 MET C C 13 176.244 . . 1 . . . . . 41 M C . 27424 2 108 . 2 . 1 23 23 MET CA C 13 57.865 . . 1 . . . . . 41 M CA . 27424 2 109 . 2 . 1 23 23 MET CB C 13 32.018 . . 1 . . . . . 41 M CB . 27424 2 110 . 2 . 1 23 23 MET N N 15 119.505 . . 1 . . . . . 41 M N . 27424 2 111 . 2 . 1 24 24 HIS H H 1 7.194 . . 1 . . . . . 42 H H . 27424 2 112 . 2 . 1 24 24 HIS C C 13 172.661 . . 1 . . . . . 42 H C . 27424 2 113 . 2 . 1 24 24 HIS CA C 13 54.888 . . 1 . . . . . 42 H CA . 27424 2 114 . 2 . 1 24 24 HIS CB C 13 27.663 . . 1 . . . . . 42 H CB . 27424 2 115 . 2 . 1 24 24 HIS N N 15 115.818 . . 1 . . . . . 42 H N . 27424 2 116 . 2 . 1 25 25 ASN H H 1 7.842 . . 1 . . . . . 43 N H . 27424 2 117 . 2 . 1 25 25 ASN C C 13 173.640 . . 1 . . . . . 43 N C . 27424 2 118 . 2 . 1 25 25 ASN CA C 13 54.698 . . 1 . . . . . 43 N CA . 27424 2 119 . 2 . 1 25 25 ASN CB C 13 36.985 . . 1 . . . . . 43 N CB . 27424 2 120 . 2 . 1 25 25 ASN N N 15 113.178 . . 1 . . . . . 43 N N . 27424 2 121 . 2 . 1 26 26 ILE H H 1 7.961 . . 1 . . . . . 44 I H . 27424 2 122 . 2 . 1 26 26 ILE C C 13 174.663 . . 1 . . . . . 44 I C . 27424 2 123 . 2 . 1 26 26 ILE CA C 13 60.439 . . 1 . . . . . 44 I CA . 27424 2 124 . 2 . 1 26 26 ILE CB C 13 39.955 . . 1 . . . . . 44 I CB . 27424 2 125 . 2 . 1 26 26 ILE N N 15 119.893 . . 1 . . . . . 44 I N . 27424 2 126 . 2 . 1 27 27 GLU C C 13 174.503 . . 1 . . . . . 45 E C . 27424 2 127 . 2 . 1 27 27 GLU CA C 13 56.153 . . 1 . . . . . 45 E CA . 27424 2 128 . 2 . 1 27 27 GLU CB C 13 29.956 . . 1 . . . . . 45 E CB . 27424 2 129 . 2 . 1 28 28 ALA H H 1 7.920 . . 1 . . . . . 46 A H . 27424 2 130 . 2 . 1 28 28 ALA C C 13 175.234 . . 1 . . . . . 46 A C . 27424 2 131 . 2 . 1 28 28 ALA CA C 13 50.415 . . 1 . . . . . 46 A CA . 27424 2 132 . 2 . 1 28 28 ALA CB C 13 23.656 . . 1 . . . . . 46 A CB . 27424 2 133 . 2 . 1 28 28 ALA N N 15 126.595 . . 1 . . . . . 46 A N . 27424 2 134 . 2 . 1 29 29 ASN H H 1 8.723 . . 1 . . . . . 47 N H . 27424 2 135 . 2 . 1 29 29 ASN C C 13 173.432 . . 1 . . . . . 47 N C . 27424 2 136 . 2 . 1 29 29 ASN CA C 13 51.856 . . 1 . . . . . 47 N CA . 27424 2 137 . 2 . 1 29 29 ASN CB C 13 41.281 . . 1 . . . . . 47 N CB . 27424 2 138 . 2 . 1 29 29 ASN N N 15 117.306 . . 1 . . . . . 47 N N . 27424 2 139 . 2 . 1 30 30 LYS H H 1 8.624 . . 1 . . . . . 48 K H . 27424 2 140 . 2 . 1 30 30 LYS C C 13 175.002 . . 1 . . . . . 48 K C . 27424 2 141 . 2 . 1 30 30 LYS CA C 13 54.406 . . 1 . . . . . 48 K CA . 27424 2 142 . 2 . 1 30 30 LYS CB C 13 34.833 . . 1 . . . . . 48 K CB . 27424 2 143 . 2 . 1 30 30 LYS N N 15 120.802 . . 1 . . . . . 48 K N . 27424 2 144 . 2 . 1 31 31 ILE H H 1 9.217 . . 1 . . . . . 49 I H . 27424 2 145 . 2 . 1 31 31 ILE C C 13 175.169 . . 1 . . . . . 49 I C . 27424 2 146 . 2 . 1 31 31 ILE CA C 13 59.705 . . 1 . . . . . 49 I CA . 27424 2 147 . 2 . 1 31 31 ILE CB C 13 39.884 . . 1 . . . . . 49 I CB . 27424 2 148 . 2 . 1 31 31 ILE N N 15 126.815 . . 1 . . . . . 49 I N . 27424 2 149 . 2 . 1 32 32 ASP H H 1 8.852 . . 1 . . . . . 50 D H . 27424 2 150 . 2 . 1 32 32 ASP C C 13 176.411 . . 1 . . . . . 50 D C . 27424 2 151 . 2 . 1 32 32 ASP CA C 13 53.692 . . 1 . . . . . 50 D CA . 27424 2 152 . 2 . 1 32 32 ASP CB C 13 40.927 . . 1 . . . . . 50 D CB . 27424 2 153 . 2 . 1 32 32 ASP N N 15 127.222 . . 1 . . . . . 50 D N . 27424 2 154 . 2 . 1 33 33 SER H H 1 8.053 . . 1 . . . . . 51 S H . 27424 2 155 . 2 . 1 33 33 SER C C 13 176.306 . . 1 . . . . . 51 S C . 27424 2 156 . 2 . 1 33 33 SER CA C 13 57.167 . . 1 . . . . . 51 S CA . 27424 2 157 . 2 . 1 33 33 SER CB C 13 63.324 . . 1 . . . . . 51 S CB . 27424 2 158 . 2 . 1 33 33 SER N N 15 123.592 . . 1 . . . . . 51 S N . 27424 2 159 . 2 . 1 34 34 GLY H H 1 8.653 . . 1 . . . . . 52 G H . 27424 2 160 . 2 . 1 34 34 GLY C C 13 177.045 . . 1 . . . . . 52 G C . 27424 2 161 . 2 . 1 34 34 GLY CA C 13 46.565 . . 1 . . . . . 52 G CA . 27424 2 162 . 2 . 1 34 34 GLY N N 15 112.930 . . 1 . . . . . 52 G N . 27424 2 163 . 2 . 1 35 35 LYS C C 13 177.154 . . 1 . . . . . 53 K C . 27424 2 164 . 2 . 1 35 35 LYS CA C 13 58.421 . . 1 . . . . . 53 K CA . 27424 2 165 . 2 . 1 35 35 LYS CB C 13 31.954 . . 1 . . . . . 53 K CB . 27424 2 166 . 2 . 1 36 36 LEU H H 1 7.451 . . 1 . . . . . 54 L H . 27424 2 167 . 2 . 1 36 36 LEU C C 13 177.423 . . 1 . . . . . 54 L C . 27424 2 168 . 2 . 1 36 36 LEU CA C 13 54.841 . . 1 . . . . . 54 L CA . 27424 2 169 . 2 . 1 36 36 LEU CB C 13 41.180 . . 1 . . . . . 54 L CB . 27424 2 170 . 2 . 1 36 36 LEU N N 15 117.058 . . 1 . . . . . 54 L N . 27424 2 171 . 2 . 1 37 37 GLY H H 1 7.734 . . 1 . . . . . 55 G H . 27424 2 172 . 2 . 1 37 37 GLY C C 13 173.318 . . 1 . . . . . 55 G C . 27424 2 173 . 2 . 1 37 37 GLY CA C 13 44.565 . . 1 . . . . . 55 G CA . 27424 2 174 . 2 . 1 37 37 GLY N N 15 107.547 . . 1 . . . . . 55 G N . 27424 2 175 . 2 . 1 38 38 TYR H H 1 9.787 . . 1 . . . . . 56 Y H . 27424 2 176 . 2 . 1 38 38 TYR C C 13 176.531 . . 1 . . . . . 56 Y C . 27424 2 177 . 2 . 1 38 38 TYR CA C 13 57.971 . . 1 . . . . . 56 Y CA . 27424 2 178 . 2 . 1 38 38 TYR CB C 13 40.879 . . 1 . . . . . 56 Y CB . 27424 2 179 . 2 . 1 38 38 TYR N N 15 119.332 . . 1 . . . . . 56 Y N . 27424 2 180 . 2 . 1 39 39 SER H H 1 9.139 . . 1 . . . . . 57 S H . 27424 2 181 . 2 . 1 39 39 SER C C 13 172.933 . . 1 . . . . . 57 S C . 27424 2 182 . 2 . 1 39 39 SER CA C 13 55.891 . . 1 . . . . . 57 S CA . 27424 2 183 . 2 . 1 39 39 SER CB C 13 65.590 . . 1 . . . . . 57 S CB . 27424 2 184 . 2 . 1 39 39 SER N N 15 114.719 . . 1 . . . . . 57 S N . 27424 2 185 . 2 . 1 40 40 ILE H H 1 8.633 . . 1 . . . . . 58 I H . 27424 2 186 . 2 . 1 40 40 ILE C C 13 176.014 . . 1 . . . . . 58 I C . 27424 2 187 . 2 . 1 40 40 ILE CA C 13 57.166 . . 1 . . . . . 58 I CA . 27424 2 188 . 2 . 1 40 40 ILE CB C 13 39.395 . . 1 . . . . . 58 I CB . 27424 2 189 . 2 . 1 40 40 ILE N N 15 120.731 . . 1 . . . . . 58 I N . 27424 2 190 . 2 . 1 41 41 THR H H 1 8.957 . . 1 . . . . . 59 T H . 27424 2 191 . 2 . 1 41 41 THR C C 13 173.421 . . 1 . . . . . 59 T C . 27424 2 192 . 2 . 1 41 41 THR CA C 13 58.980 . . 1 . . . . . 59 T CA . 27424 2 193 . 2 . 1 41 41 THR CB C 13 71.670 . . 1 . . . . . 59 T CB . 27424 2 194 . 2 . 1 41 41 THR N N 15 118.503 . . 1 . . . . . 59 T N . 27424 2 195 . 2 . 1 42 42 VAL H H 1 8.581 . . 1 . . . . . 60 V H . 27424 2 196 . 2 . 1 42 42 VAL C C 13 174.119 . . 1 . . . . . 60 V C . 27424 2 197 . 2 . 1 42 42 VAL CA C 13 58.756 . . 1 . . . . . 60 V CA . 27424 2 198 . 2 . 1 42 42 VAL CB C 13 36.443 . . 1 . . . . . 60 V CB . 27424 2 199 . 2 . 1 42 42 VAL N N 15 111.795 . . 1 . . . . . 60 V N . 27424 2 200 . 2 . 1 43 43 ALA H H 1 9.409 . . 1 . . . . . 61 A H . 27424 2 201 . 2 . 1 43 43 ALA CA C 13 52.407 . . 1 . . . . . 61 A CA . 27424 2 202 . 2 . 1 43 43 ALA CB C 13 19.799 . . 1 . . . . . 61 A CB . 27424 2 203 . 2 . 1 43 43 ALA N N 15 125.255 . . 1 . . . . . 61 A N . 27424 2 204 . 2 . 1 44 44 GLU H H 1 9.005 . . 1 . . . . . 62 E H . 27424 2 205 . 2 . 1 44 44 GLU C C 13 175.522 . . 1 . . . . . 62 E C . 27424 2 206 . 2 . 1 44 44 GLU CA C 13 62.369 . . 1 . . . . . 62 E CA . 27424 2 207 . 2 . 1 44 44 GLU CB C 13 27.472 . . 1 . . . . . 62 E CB . 27424 2 208 . 2 . 1 44 44 GLU N N 15 122.152 . . 1 . . . . . 62 E N . 27424 2 209 . 2 . 1 45 45 PRO C C 13 177.359 . . 1 . . . . . 63 P C . 27424 2 210 . 2 . 1 45 45 PRO CA C 13 65.613 . . 1 . . . . . 63 P CA . 27424 2 211 . 2 . 1 45 45 PRO CB C 13 31.158 . . 1 . . . . . 63 P CB . 27424 2 212 . 2 . 1 45 45 PRO CG C 13 27.875 . . 1 . . . . . 63 P CG . 27424 2 213 . 2 . 1 45 45 PRO CD C 13 50.294 . . 1 . . . . . 63 P CD . 27424 2 214 . 2 . 1 46 46 ASP H H 1 7.827 . . 1 . . . . . 64 D H . 27424 2 215 . 2 . 1 46 46 ASP C C 13 175.918 . . 1 . . . . . 64 D C . 27424 2 216 . 2 . 1 46 46 ASP CA C 13 54.796 . . 1 . . . . . 64 D CA . 27424 2 217 . 2 . 1 46 46 ASP CB C 13 43.223 . . 1 . . . . . 64 D CB . 27424 2 218 . 2 . 1 46 46 ASP N N 15 115.103 . . 1 . . . . . 64 D N . 27424 2 219 . 2 . 1 47 47 PHE H H 1 7.945 . . 1 . . . . . 65 F H . 27424 2 220 . 2 . 1 47 47 PHE C C 13 175.602 . . 1 . . . . . 65 F C . 27424 2 221 . 2 . 1 47 47 PHE CA C 13 63.672 . . 1 . . . . . 65 F CA . 27424 2 222 . 2 . 1 47 47 PHE CB C 13 40.380 . . 1 . . . . . 65 F CB . 27424 2 223 . 2 . 1 47 47 PHE N N 15 121.940 . . 1 . . . . . 65 F N . 27424 2 224 . 2 . 1 48 48 THR H H 1 8.702 . . 1 . . . . . 66 T H . 27424 2 225 . 2 . 1 48 48 THR C C 13 177.094 . . 1 . . . . . 66 T C . 27424 2 226 . 2 . 1 48 48 THR CA C 13 66.918 . . 1 . . . . . 66 T CA . 27424 2 227 . 2 . 1 48 48 THR CB C 13 68.334 . . 1 . . . . . 66 T CB . 27424 2 228 . 2 . 1 48 48 THR N N 15 112.861 . . 1 . . . . . 66 T N . 27424 2 229 . 2 . 1 49 49 ALA H H 1 8.270 . . 1 . . . . . 67 A H . 27424 2 230 . 2 . 1 49 49 ALA C C 13 178.188 . . 1 . . . . . 67 A C . 27424 2 231 . 2 . 1 49 49 ALA CA C 13 54.795 . . 1 . . . . . 67 A CA . 27424 2 232 . 2 . 1 49 49 ALA CB C 13 18.543 . . 1 . . . . . 67 A CB . 27424 2 233 . 2 . 1 49 49 ALA N N 15 124.873 . . 1 . . . . . 67 A N . 27424 2 234 . 2 . 1 50 50 ALA H H 1 8.537 . . 1 . . . . . 68 A H . 27424 2 235 . 2 . 1 50 50 ALA C C 13 178.865 . . 1 . . . . . 68 A C . 27424 2 236 . 2 . 1 50 50 ALA CA C 13 55.625 . . 1 . . . . . 68 A CA . 27424 2 237 . 2 . 1 50 50 ALA CB C 13 19.922 . . 1 . . . . . 68 A CB . 27424 2 238 . 2 . 1 50 50 ALA N N 15 119.788 . . 1 . . . . . 68 A N . 27424 2 239 . 2 . 1 51 51 VAL H H 1 8.150 . . 1 . . . . . 69 V H . 27424 2 240 . 2 . 1 51 51 VAL C C 13 177.575 . . 1 . . . . . 69 V C . 27424 2 241 . 2 . 1 51 51 VAL CA C 13 66.513 . . 1 . . . . . 69 V CA . 27424 2 242 . 2 . 1 51 51 VAL CB C 13 31.664 . . 1 . . . . . 69 V CB . 27424 2 243 . 2 . 1 51 51 VAL N N 15 116.568 . . 1 . . . . . 69 V N . 27424 2 244 . 2 . 1 52 52 TYR H H 1 7.291 . . 1 . . . . . 70 Y H . 27424 2 245 . 2 . 1 52 52 TYR C C 13 178.637 . . 1 . . . . . 70 Y C . 27424 2 246 . 2 . 1 52 52 TYR CA C 13 61.654 . . 1 . . . . . 70 Y CA . 27424 2 247 . 2 . 1 52 52 TYR CB C 13 37.445 . . 1 . . . . . 70 Y CB . 27424 2 248 . 2 . 1 52 52 TYR N N 15 119.029 . . 1 . . . . . 70 Y N . 27424 2 249 . 2 . 1 53 53 TRP H H 1 8.245 . . 1 . . . . . 71 W H . 27424 2 250 . 2 . 1 53 53 TRP C C 13 179.017 . . 1 . . . . . 71 W C . 27424 2 251 . 2 . 1 53 53 TRP CA C 13 59.335 . . 1 . . . . . 71 W CA . 27424 2 252 . 2 . 1 53 53 TRP CB C 13 29.651 . . 1 . . . . . 71 W CB . 27424 2 253 . 2 . 1 53 53 TRP N N 15 118.832 . . 1 . . . . . 71 W N . 27424 2 254 . 2 . 1 54 54 ILE H H 1 8.313 . . 1 . . . . . 72 I H . 27424 2 255 . 2 . 1 54 54 ILE C C 13 177.812 . . 1 . . . . . 72 I C . 27424 2 256 . 2 . 1 54 54 ILE CA C 13 62.364 . . 1 . . . . . 72 I CA . 27424 2 257 . 2 . 1 54 54 ILE N N 15 116.280 . . 1 . . . . . 72 I N . 27424 2 258 . 2 . 1 55 55 LYS H H 1 7.923 . . 1 . . . . . 73 K H . 27424 2 259 . 2 . 1 55 55 LYS C C 13 178.488 . . 1 . . . . . 73 K C . 27424 2 260 . 2 . 1 55 55 LYS CA C 13 58.996 . . 1 . . . . . 73 K CA . 27424 2 261 . 2 . 1 55 55 LYS CB C 13 32.213 . . 1 . . . . . 73 K CB . 27424 2 262 . 2 . 1 55 55 LYS N N 15 120.554 . . 1 . . . . . 73 K N . 27424 2 263 . 2 . 1 56 56 THR H H 1 7.613 . . 1 . . . . . 74 T H . 27424 2 264 . 2 . 1 56 56 THR C C 13 174.848 . . 1 . . . . . 74 T C . 27424 2 265 . 2 . 1 56 56 THR CA C 13 63.724 . . 1 . . . . . 74 T CA . 27424 2 266 . 2 . 1 56 56 THR CB C 13 69.350 . . 1 . . . . . 74 T CB . 27424 2 267 . 2 . 1 56 56 THR N N 15 110.733 . . 1 . . . . . 74 T N . 27424 2 268 . 2 . 1 57 57 TYR H H 1 7.875 . . 1 . . . . . 75 Y H . 27424 2 269 . 2 . 1 57 57 TYR C C 13 174.971 . . 1 . . . . . 75 Y C . 27424 2 270 . 2 . 1 57 57 TYR CA C 13 59.058 . . 1 . . . . . 75 Y CA . 27424 2 271 . 2 . 1 57 57 TYR CB C 13 39.054 . . 1 . . . . . 75 Y CB . 27424 2 272 . 2 . 1 57 57 TYR N N 15 122.979 . . 1 . . . . . 75 Y N . 27424 2 273 . 2 . 1 58 58 GLN H H 1 7.743 . . 1 . . . . . 76 Q H . 27424 2 274 . 2 . 1 58 58 GLN C C 13 174.824 . . 1 . . . . . 76 Q C . 27424 2 275 . 2 . 1 58 58 GLN CA C 13 55.456 . . 1 . . . . . 76 Q CA . 27424 2 276 . 2 . 1 58 58 GLN CB C 13 28.865 . . 1 . . . . . 76 Q CB . 27424 2 277 . 2 . 1 58 58 GLN N N 15 120.954 . . 1 . . . . . 76 Q N . 27424 2 278 . 2 . 1 59 59 LEU H H 1 8.044 . . 1 . . . . . 77 L H . 27424 2 279 . 2 . 1 59 59 LEU C C 13 174.691 . . 1 . . . . . 77 L C . 27424 2 280 . 2 . 1 59 59 LEU CA C 13 53.254 . . 1 . . . . . 77 L CA . 27424 2 281 . 2 . 1 59 59 LEU CB C 13 41.906 . . 1 . . . . . 77 L CB . 27424 2 282 . 2 . 1 59 59 LEU N N 15 124.686 . . 1 . . . . . 77 L N . 27424 2 283 . 2 . 1 60 60 PRO HA H 1 4.676 . . 1 . . . . . 78 P HA . 27424 2 284 . 2 . 1 60 60 PRO HB2 H 1 2.347 . . 2 . . . . . 78 P HB1 . 27424 2 285 . 2 . 1 60 60 PRO HB3 H 1 1.872 . . 2 . . . . . 78 P HB2 . 27424 2 286 . 2 . 1 60 60 PRO HG2 H 1 2.046 . . 2 . . . . . 78 P HG . 27424 2 287 . 2 . 1 60 60 PRO HG3 H 1 2.046 . . 2 . . . . . 78 P HG . 27424 2 288 . 2 . 1 60 60 PRO HD2 H 1 3.881 . . 2 . . . . . 78 P HD1 . 27424 2 289 . 2 . 1 60 60 PRO HD3 H 1 3.595 . . 2 . . . . . 78 P HD2 . 27424 2 290 . 2 . 1 60 60 PRO CA C 13 61.498 . . 1 . . . . . 78 P CA . 27424 2 291 . 2 . 1 60 60 PRO CB C 13 30.912 . . 1 . . . . . 78 P CB . 27424 2 292 . 2 . 1 60 60 PRO CG C 13 27.513 . . 1 . . . . . 78 P CG . 27424 2 293 . 2 . 1 60 60 PRO CD C 13 50.803 . . 1 . . . . . 78 P CD . 27424 2 294 . 2 . 1 60 60 PRO N N 15 137.753 . . 1 . . . . . 78 P N . 27424 2 295 . 2 . 1 61 61 PRO HA H 1 4.416 . . 1 . . . . . 79 P HA . 27424 2 296 . 2 . 1 61 61 PRO HB2 H 1 2.262 . . 2 . . . . . 79 P HB1 . 27424 2 297 . 2 . 1 61 61 PRO HB3 H 1 1.873 . . 2 . . . . . 79 P HB2 . 27424 2 298 . 2 . 1 61 61 PRO HG2 H 1 2.009 . . 2 . . . . . 79 P HG . 27424 2 299 . 2 . 1 61 61 PRO HG3 H 1 2.009 . . 2 . . . . . 79 P HG . 27424 2 300 . 2 . 1 61 61 PRO HD2 H 1 3.790 . . 2 . . . . . 79 P HD1 . 27424 2 301 . 2 . 1 61 61 PRO HD3 H 1 3.619 . . 2 . . . . . 79 P HD2 . 27424 2 302 . 2 . 1 61 61 PRO C C 13 176.745 . . 1 . . . . . 79 P C . 27424 2 303 . 2 . 1 61 61 PRO CA C 13 62.842 . . 1 . . . . . 79 P CA . 27424 2 304 . 2 . 1 61 61 PRO CB C 13 31.909 . . 1 . . . . . 79 P CB . 27424 2 305 . 2 . 1 61 61 PRO CG C 13 27.312 . . 1 . . . . . 79 P CG . 27424 2 306 . 2 . 1 61 61 PRO CD C 13 50.385 . . 1 . . . . . 79 P CD . 27424 2 307 . 2 . 1 61 61 PRO N N 15 135.118 . . 1 . . . . . 79 P N . 27424 2 308 . 2 . 1 62 62 ARG H H 1 8.358 . . 1 . . . . . 80 R H . 27424 2 309 . 2 . 1 62 62 ARG C C 13 174.241 . . 1 . . . . . 80 R C . 27424 2 310 . 2 . 1 62 62 ARG CA C 13 53.763 . . 1 . . . . . 80 R CA . 27424 2 311 . 2 . 1 62 62 ARG CB C 13 30.309 . . 1 . . . . . 80 R CB . 27424 2 312 . 2 . 1 62 62 ARG N N 15 122.148 . . 1 . . . . . 80 R N . 27424 2 313 . 2 . 1 63 63 PRO HA H 1 4.411 . . 1 . . . . . 81 P HA . 27424 2 314 . 2 . 1 63 63 PRO HB2 H 1 2.331 . . 2 . . . . . 81 P HB1 . 27424 2 315 . 2 . 1 63 63 PRO HB3 H 1 1.868 . . 2 . . . . . 81 P HB2 . 27424 2 316 . 2 . 1 63 63 PRO HG2 H 1 2.004 . . 2 . . . . . 81 P HG . 27424 2 317 . 2 . 1 63 63 PRO HG3 H 1 2.004 . . 2 . . . . . 81 P HG . 27424 2 318 . 2 . 1 63 63 PRO HD2 H 1 3.808 . . 2 . . . . . 81 P HD1 . 27424 2 319 . 2 . 1 63 63 PRO HD3 H 1 3.625 . . 2 . . . . . 81 P HD2 . 27424 2 320 . 2 . 1 63 63 PRO C C 13 176.687 . . 1 . . . . . 81 P C . 27424 2 321 . 2 . 1 63 63 PRO CA C 13 63.105 . . 1 . . . . . 81 P CA . 27424 2 322 . 2 . 1 63 63 PRO CB C 13 32.089 . . 1 . . . . . 81 P CB . 27424 2 323 . 2 . 1 63 63 PRO CG C 13 27.421 . . 1 . . . . . 81 P CG . 27424 2 324 . 2 . 1 63 63 PRO CD C 13 50.682 . . 1 . . . . . 81 P CD . 27424 2 325 . 2 . 1 63 63 PRO N N 15 137.113 . . 1 . . . . . 81 P N . 27424 2 326 . 2 . 1 64 64 ARG H H 1 8.447 . . 1 . . . . . 82 R H . 27424 2 327 . 2 . 1 64 64 ARG C C 13 176.304 . . 1 . . . . . 82 R C . 27424 2 328 . 2 . 1 64 64 ARG CA C 13 56.276 . . 1 . . . . . 82 R CA . 27424 2 329 . 2 . 1 64 64 ARG CB C 13 30.757 . . 1 . . . . . 82 R CB . 27424 2 330 . 2 . 1 64 64 ARG N N 15 121.603 . . 1 . . . . . 82 R N . 27424 2 331 . 2 . 1 65 65 VAL C C 13 175.861 . . 1 . . . . . 83 V C . 27424 2 332 . 2 . 1 65 65 VAL CA C 13 62.299 . . 1 . . . . . 83 V CA . 27424 2 333 . 2 . 1 65 65 VAL CB C 13 32.861 . . 1 . . . . . 83 V CB . 27424 2 334 . 2 . 1 66 66 GLU H H 1 8.513 . . 1 . . . . . 84 E H . 27424 2 335 . 2 . 1 66 66 GLU C C 13 176.418 . . 1 . . . . . 84 E C . 27424 2 336 . 2 . 1 66 66 GLU CA C 13 56.390 . . 1 . . . . . 84 E CA . 27424 2 337 . 2 . 1 66 66 GLU CB C 13 30.320 . . 1 . . . . . 84 E CB . 27424 2 338 . 2 . 1 66 66 GLU N N 15 124.811 . . 1 . . . . . 84 E N . 27424 2 339 . 2 . 1 67 67 ILE C C 13 175.910 . . 1 . . . . . 85 I C . 27424 2 340 . 2 . 1 67 67 ILE CA C 13 61.061 . . 1 . . . . . 85 I CA . 27424 2 341 . 2 . 1 67 67 ILE CB C 13 38.749 . . 1 . . . . . 85 I CB . 27424 2 342 . 2 . 1 68 68 ALA H H 1 8.350 . . 1 . . . . . 86 A H . 27424 2 343 . 2 . 1 68 68 ALA C C 13 177.359 . . 1 . . . . . 86 A C . 27424 2 344 . 2 . 1 68 68 ALA CA C 13 52.541 . . 1 . . . . . 86 A CA . 27424 2 345 . 2 . 1 68 68 ALA CB C 13 19.277 . . 1 . . . . . 86 A CB . 27424 2 346 . 2 . 1 68 68 ALA N N 15 127.925 . . 1 . . . . . 86 A N . 27424 2 347 . 2 . 1 69 69 GLN H H 1 8.281 . . 1 . . . . . 87 Q H . 27424 2 348 . 2 . 1 69 69 GLN C C 13 175.535 . . 1 . . . . . 87 Q C . 27424 2 349 . 2 . 1 69 69 GLN CA C 13 55.688 . . 1 . . . . . 87 Q CA . 27424 2 350 . 2 . 1 69 69 GLN CB C 13 29.697 . . 1 . . . . . 87 Q CB . 27424 2 351 . 2 . 1 69 69 GLN N N 15 119.648 . . 1 . . . . . 87 Q N . 27424 2 352 . 2 . 1 70 70 MET H H 1 8.266 . . 1 . . . . . 88 M H . 27424 2 353 . 2 . 1 70 70 MET C C 13 174.465 . . 1 . . . . . 88 M C . 27424 2 354 . 2 . 1 70 70 MET CA C 13 55.483 . . 1 . . . . . 88 M CA . 27424 2 355 . 2 . 1 70 70 MET CB C 13 33.127 . . 1 . . . . . 88 M CB . 27424 2 356 . 2 . 1 70 70 MET N N 15 122.128 . . 1 . . . . . 88 M N . 27424 2 357 . 2 . 1 71 71 PHE H H 1 8.123 . . 1 . . . . . 89 F H . 27424 2 358 . 2 . 1 71 71 PHE CA C 13 55.419 . . 1 . . . . . 89 F CA . 27424 2 359 . 2 . 1 71 71 PHE CB C 13 39.144 . . 1 . . . . . 89 F CB . 27424 2 360 . 2 . 1 71 71 PHE N N 15 120.993 . . 1 . . . . . 89 F N . 27424 2 361 . 2 . 1 72 72 PRO C C 13 175.476 . . 1 . . . . . 90 P C . 27424 2 362 . 2 . 1 72 72 PRO CA C 13 62.835 . . 1 . . . . . 90 P CA . 27424 2 363 . 2 . 1 72 72 PRO CB C 13 34.224 . . 1 . . . . . 90 P CB . 27424 2 364 . 2 . 1 73 73 ALA H H 1 8.538 . . 1 . . . . . 91 A H . 27424 2 365 . 2 . 1 73 73 ALA C C 13 176.291 . . 1 . . . . . 91 A C . 27424 2 366 . 2 . 1 73 73 ALA CA C 13 52.381 . . 1 . . . . . 91 A CA . 27424 2 367 . 2 . 1 73 73 ALA CB C 13 19.627 . . 1 . . . . . 91 A CB . 27424 2 368 . 2 . 1 73 73 ALA N N 15 124.980 . . 1 . . . . . 91 A N . 27424 2 369 . 2 . 1 74 74 ASP H H 1 7.823 . . 1 . . . . . 92 D H . 27424 2 370 . 2 . 1 74 74 ASP C C 13 180.832 . . 1 . . . . . 92 D C . 27424 2 371 . 2 . 1 74 74 ASP CA C 13 55.725 . . 1 . . . . . 92 D CA . 27424 2 372 . 2 . 1 74 74 ASP CB C 13 42.304 . . 1 . . . . . 92 D CB . 27424 2 373 . 2 . 1 74 74 ASP N N 15 125.034 . . 1 . . . . . 92 D N . 27424 2 stop_ save_