data_27276 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27276 _Entry.Title ; Backbone assignment of SGTA N-terminal domain including linker residues ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-05 _Entry.Accession_date 2017-10-05 _Entry.Last_release_date 2017-10-05 _Entry.Original_release_date 2017-10-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Santiago 'Martinez Lumbreras' . . . . 27276 2 Ewelina Krysztofinska . M. . . 27276 3 Rivka Isaacson . L. . . 27276 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "King's College London" . 27276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 27276 '15N chemical shifts' 87 27276 '1H chemical shifts' 94 27276 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-08-16 2017-10-05 update BMRB 'update entry citation' 27276 1 . . 2018-06-19 2017-10-05 original author 'original release' 27276 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27272 'SGTA C-terminal domain' 27276 BMRB 27275 'SGTA TPR_C-terminal(deltaQ) domains' 27276 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27276 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29996828 _Citation.Full_citation . _Citation.Title ; Structural complexity of the co-chaperone SGTA: a conserved C-terminal region is implicated in dimerization and substrate quality control ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Biol.' _Citation.Journal_name_full 'BMC biology' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1741-7007 _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 76 _Citation.Page_last 76 _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 Santiago Martinez-Lumbreras S. . . . 27276 1 2 Ewelina Krysztofinska E. M. . . 27276 1 3 Arjun Thapaliya A. . . . 27276 1 4 Alessandro Spilotros A. . . . 27276 1 5 Dijana Matak-Vinkovic D. . . . 27276 1 6 Enrico Salvadori E. . . . 27276 1 7 Peristera Roboti P. . . . 27276 1 8 Yvonne Nyathi Y. . . . 27276 1 9 Janina Muench J. H. . . 27276 1 10 Maxie Roessler M. M. . . 27276 1 11 Dmitri Svergun D. I. . . 27276 1 12 Stephen High S. . . . 27276 1 13 Rivka Isaacson R. L. . . 27276 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27276 _Assembly.ID 1 _Assembly.Name SGTA_Nter-linker _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 SGTA_Nter-linker 1 $SGTA_Nter_linker A . yes native no no . . . 27276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SGTA_Nter_linker _Entity.Sf_category entity _Entity.Sf_framecode SGTA_Nter_linker _Entity.Entry_ID 27276 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SGTA_Nter_linker _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 ; GSMDNKKRLAYAIIQFLHDQ LRHGGLSSDAQESLEVAIQC LETAFGVTVEDSDLALPQTL PEIFEAAATGKEMPQDLRSP ARTPPSEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 27276 1 2 0 SER . 27276 1 3 1 MET . 27276 1 4 2 ASP . 27276 1 5 3 ASN . 27276 1 6 4 LYS . 27276 1 7 5 LYS . 27276 1 8 6 ARG . 27276 1 9 7 LEU . 27276 1 10 8 ALA . 27276 1 11 9 TYR . 27276 1 12 10 ALA . 27276 1 13 11 ILE . 27276 1 14 12 ILE . 27276 1 15 13 GLN . 27276 1 16 14 PHE . 27276 1 17 15 LEU . 27276 1 18 16 HIS . 27276 1 19 17 ASP . 27276 1 20 18 GLN . 27276 1 21 19 LEU . 27276 1 22 20 ARG . 27276 1 23 21 HIS . 27276 1 24 22 GLY . 27276 1 25 23 GLY . 27276 1 26 24 LEU . 27276 1 27 25 SER . 27276 1 28 26 SER . 27276 1 29 27 ASP . 27276 1 30 28 ALA . 27276 1 31 29 GLN . 27276 1 32 30 GLU . 27276 1 33 31 SER . 27276 1 34 32 LEU . 27276 1 35 33 GLU . 27276 1 36 34 VAL . 27276 1 37 35 ALA . 27276 1 38 36 ILE . 27276 1 39 37 GLN . 27276 1 40 38 CYS . 27276 1 41 39 LEU . 27276 1 42 40 GLU . 27276 1 43 41 THR . 27276 1 44 42 ALA . 27276 1 45 43 PHE . 27276 1 46 44 GLY . 27276 1 47 45 VAL . 27276 1 48 46 THR . 27276 1 49 47 VAL . 27276 1 50 48 GLU . 27276 1 51 49 ASP . 27276 1 52 50 SER . 27276 1 53 51 ASP . 27276 1 54 52 LEU . 27276 1 55 53 ALA . 27276 1 56 54 LEU . 27276 1 57 55 PRO . 27276 1 58 56 GLN . 27276 1 59 57 THR . 27276 1 60 58 LEU . 27276 1 61 59 PRO . 27276 1 62 60 GLU . 27276 1 63 61 ILE . 27276 1 64 62 PHE . 27276 1 65 63 GLU . 27276 1 66 64 ALA . 27276 1 67 65 ALA . 27276 1 68 66 ALA . 27276 1 69 67 THR . 27276 1 70 68 GLY . 27276 1 71 69 LYS . 27276 1 72 70 GLU . 27276 1 73 71 MET . 27276 1 74 72 PRO . 27276 1 75 73 GLN . 27276 1 76 74 ASP . 27276 1 77 75 LEU . 27276 1 78 76 ARG . 27276 1 79 77 SER . 27276 1 80 78 PRO . 27276 1 81 79 ALA . 27276 1 82 80 ARG . 27276 1 83 81 THR . 27276 1 84 82 PRO . 27276 1 85 83 PRO . 27276 1 86 84 SER . 27276 1 87 85 GLU . 27276 1 88 86 GLU . 27276 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 27276 1 . SER 2 2 27276 1 . MET 3 3 27276 1 . ASP 4 4 27276 1 . ASN 5 5 27276 1 . LYS 6 6 27276 1 . LYS 7 7 27276 1 . ARG 8 8 27276 1 . LEU 9 9 27276 1 . ALA 10 10 27276 1 . TYR 11 11 27276 1 . ALA 12 12 27276 1 . ILE 13 13 27276 1 . ILE 14 14 27276 1 . GLN 15 15 27276 1 . PHE 16 16 27276 1 . LEU 17 17 27276 1 . HIS 18 18 27276 1 . ASP 19 19 27276 1 . GLN 20 20 27276 1 . LEU 21 21 27276 1 . ARG 22 22 27276 1 . HIS 23 23 27276 1 . GLY 24 24 27276 1 . GLY 25 25 27276 1 . LEU 26 26 27276 1 . SER 27 27 27276 1 . SER 28 28 27276 1 . ASP 29 29 27276 1 . ALA 30 30 27276 1 . GLN 31 31 27276 1 . GLU 32 32 27276 1 . SER 33 33 27276 1 . LEU 34 34 27276 1 . GLU 35 35 27276 1 . VAL 36 36 27276 1 . ALA 37 37 27276 1 . ILE 38 38 27276 1 . GLN 39 39 27276 1 . CYS 40 40 27276 1 . LEU 41 41 27276 1 . GLU 42 42 27276 1 . THR 43 43 27276 1 . ALA 44 44 27276 1 . PHE 45 45 27276 1 . GLY 46 46 27276 1 . VAL 47 47 27276 1 . THR 48 48 27276 1 . VAL 49 49 27276 1 . GLU 50 50 27276 1 . ASP 51 51 27276 1 . SER 52 52 27276 1 . ASP 53 53 27276 1 . LEU 54 54 27276 1 . ALA 55 55 27276 1 . LEU 56 56 27276 1 . PRO 57 57 27276 1 . GLN 58 58 27276 1 . THR 59 59 27276 1 . LEU 60 60 27276 1 . PRO 61 61 27276 1 . GLU 62 62 27276 1 . ILE 63 63 27276 1 . PHE 64 64 27276 1 . GLU 65 65 27276 1 . ALA 66 66 27276 1 . ALA 67 67 27276 1 . ALA 68 68 27276 1 . THR 69 69 27276 1 . GLY 70 70 27276 1 . LYS 71 71 27276 1 . GLU 72 72 27276 1 . MET 73 73 27276 1 . PRO 74 74 27276 1 . GLN 75 75 27276 1 . ASP 76 76 27276 1 . LEU 77 77 27276 1 . ARG 78 78 27276 1 . SER 79 79 27276 1 . PRO 80 80 27276 1 . ALA 81 81 27276 1 . ARG 82 82 27276 1 . THR 83 83 27276 1 . PRO 84 84 27276 1 . PRO 85 85 27276 1 . SER 86 86 27276 1 . GLU 87 87 27276 1 . GLU 88 88 27276 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 27276 _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 $SGTA_Nter_linker . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27276 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 27276 _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 $SGTA_Nter_linker . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pET28_Txr_6xH_TEV . . . 27276 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27276 _Sample.ID 1 _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 SGTA_Nter_linker '[U-100% 13C; U-100% 15N]' . . 1 $SGTA_Nter_linker . . 800 . . uM . . . . 27276 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27276 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27276 1 4 TCEP 'natural abundance' . . . . . . 250 . . uM . . . . 27276 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 27276 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 130 . mM 27276 1 pH 6.0 . pH 27276 1 pressure 1 . atm 27276 1 temperature 298 . K 27276 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27276 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27276 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27276 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27276 _Software.ID 2 _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' . . 27276 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27276 2 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27276 _Software.ID 3 _Software.Type . _Software.Name CCPN_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27276 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27276 3 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 27276 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27276 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27276 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 27276 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27276 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27276 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27276 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27276 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27276 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 27276 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27276 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27276 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27276 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 27276 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27276 1 2 '3D CBCA(CO)NH' . . . 27276 1 3 '3D HNCACB' . . . 27276 1 4 '3D HNCO' . . . 27276 1 5 '3D HN(CA)CO' . . . 27276 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.656 0.002 . 1 . . . . . 1 MET H . 27276 1 2 . 1 1 3 3 MET C C 13 175.976 0.006 . 1 . . . . . 1 MET C . 27276 1 3 . 1 1 3 3 MET CA C 13 55.824 0.007 . 1 . . . . . 1 MET CA . 27276 1 4 . 1 1 3 3 MET CB C 13 32.947 0.010 . 1 . . . . . 1 MET CB . 27276 1 5 . 1 1 3 3 MET N N 15 122.906 0.036 . 1 . . . . . 1 MET N . 27276 1 6 . 1 1 4 4 ASP H H 1 8.231 0.001 . 1 . . . . . 2 ASP H . 27276 1 7 . 1 1 4 4 ASP C C 13 177.214 0.017 . 1 . . . . . 2 ASP C . 27276 1 8 . 1 1 4 4 ASP CA C 13 54.657 0.039 . 1 . . . . . 2 ASP CA . 27276 1 9 . 1 1 4 4 ASP CB C 13 41.396 0.070 . 1 . . . . . 2 ASP CB . 27276 1 10 . 1 1 4 4 ASP N N 15 121.935 0.040 . 1 . . . . . 2 ASP N . 27276 1 11 . 1 1 5 5 ASN H H 1 8.813 0.001 . 1 . . . . . 3 ASN H . 27276 1 12 . 1 1 5 5 ASN HD21 H 1 7.998 0.000 . 1 . . . . . 3 ASN HD21 . 27276 1 13 . 1 1 5 5 ASN HD22 H 1 6.949 0.000 . 1 . . . . . 3 ASN HD22 . 27276 1 14 . 1 1 5 5 ASN C C 13 177.728 0.006 . 1 . . . . . 3 ASN C . 27276 1 15 . 1 1 5 5 ASN CA C 13 55.829 0.001 . 1 . . . . . 3 ASN CA . 27276 1 16 . 1 1 5 5 ASN CB C 13 38.199 0.020 . 1 . . . . . 3 ASN CB . 27276 1 17 . 1 1 5 5 ASN N N 15 121.906 0.027 . 1 . . . . . 3 ASN N . 27276 1 18 . 1 1 5 5 ASN ND2 N 15 112.516 0.001 . 1 . . . . . 3 ASN ND2 . 27276 1 19 . 1 1 6 6 LYS H H 1 8.469 0.001 . 1 . . . . . 4 LYS H . 27276 1 20 . 1 1 6 6 LYS C C 13 178.193 0.027 . 1 . . . . . 4 LYS C . 27276 1 21 . 1 1 6 6 LYS CA C 13 60.464 0.024 . 1 . . . . . 4 LYS CA . 27276 1 22 . 1 1 6 6 LYS CB C 13 31.941 0.249 . 1 . . . . . 4 LYS CB . 27276 1 23 . 1 1 6 6 LYS N N 15 124.135 0.023 . 1 . . . . . 4 LYS N . 27276 1 24 . 1 1 7 7 LYS H H 1 7.871 0.001 . 1 . . . . . 5 LYS H . 27276 1 25 . 1 1 7 7 LYS C C 13 178.926 0.008 . 1 . . . . . 5 LYS C . 27276 1 26 . 1 1 7 7 LYS CA C 13 60.476 0.019 . 1 . . . . . 5 LYS CA . 27276 1 27 . 1 1 7 7 LYS CB C 13 32.795 0.033 . 1 . . . . . 5 LYS CB . 27276 1 28 . 1 1 7 7 LYS N N 15 119.469 0.015 . 1 . . . . . 5 LYS N . 27276 1 29 . 1 1 8 8 ARG H H 1 8.200 0.001 . 1 . . . . . 6 ARG H . 27276 1 30 . 1 1 8 8 ARG C C 13 178.928 0.003 . 1 . . . . . 6 ARG C . 27276 1 31 . 1 1 8 8 ARG CA C 13 60.961 0.070 . 1 . . . . . 6 ARG CA . 27276 1 32 . 1 1 8 8 ARG CB C 13 30.562 0.021 . 1 . . . . . 6 ARG CB . 27276 1 33 . 1 1 8 8 ARG N N 15 117.127 0.015 . 1 . . . . . 6 ARG N . 27276 1 34 . 1 1 9 9 LEU H H 1 8.021 0.001 . 1 . . . . . 7 LEU H . 27276 1 35 . 1 1 9 9 LEU C C 13 177.468 0.016 . 1 . . . . . 7 LEU C . 27276 1 36 . 1 1 9 9 LEU CA C 13 57.544 0.015 . 1 . . . . . 7 LEU CA . 27276 1 37 . 1 1 9 9 LEU CB C 13 39.409 0.067 . 1 . . . . . 7 LEU CB . 27276 1 38 . 1 1 9 9 LEU N N 15 124.769 0.012 . 1 . . . . . 7 LEU N . 27276 1 39 . 1 1 10 10 ALA H H 1 8.064 0.002 . 1 . . . . . 8 ALA H . 27276 1 40 . 1 1 10 10 ALA C C 13 179.086 0.003 . 1 . . . . . 8 ALA C . 27276 1 41 . 1 1 10 10 ALA CA C 13 55.854 0.020 . 1 . . . . . 8 ALA CA . 27276 1 42 . 1 1 10 10 ALA CB C 13 17.656 0.036 . 1 . . . . . 8 ALA CB . 27276 1 43 . 1 1 10 10 ALA N N 15 122.113 0.090 . 1 . . . . . 8 ALA N . 27276 1 44 . 1 1 11 11 TYR H H 1 8.413 0.002 . 1 . . . . . 9 TYR H . 27276 1 45 . 1 1 11 11 TYR C C 13 176.059 0.000 . 1 . . . . . 9 TYR C . 27276 1 46 . 1 1 11 11 TYR CA C 13 62.769 0.083 . 1 . . . . . 9 TYR CA . 27276 1 47 . 1 1 11 11 TYR CB C 13 38.850 0.007 . 1 . . . . . 9 TYR CB . 27276 1 48 . 1 1 11 11 TYR N N 15 117.814 0.017 . 1 . . . . . 9 TYR N . 27276 1 49 . 1 1 12 12 ALA H H 1 8.063 0.002 . 1 . . . . . 10 ALA H . 27276 1 50 . 1 1 12 12 ALA C C 13 181.689 0.006 . 1 . . . . . 10 ALA C . 27276 1 51 . 1 1 12 12 ALA CA C 13 55.261 0.003 . 1 . . . . . 10 ALA CA . 27276 1 52 . 1 1 12 12 ALA CB C 13 18.904 0.007 . 1 . . . . . 10 ALA CB . 27276 1 53 . 1 1 12 12 ALA N N 15 122.327 0.074 . 1 . . . . . 10 ALA N . 27276 1 54 . 1 1 13 13 ILE H H 1 8.562 0.003 . 1 . . . . . 11 ILE H . 27276 1 55 . 1 1 13 13 ILE C C 13 177.180 0.005 . 1 . . . . . 11 ILE C . 27276 1 56 . 1 1 13 13 ILE CA C 13 66.447 0.042 . 1 . . . . . 11 ILE CA . 27276 1 57 . 1 1 13 13 ILE CB C 13 38.190 0.015 . 1 . . . . . 11 ILE CB . 27276 1 58 . 1 1 13 13 ILE N N 15 120.260 0.035 . 1 . . . . . 11 ILE N . 27276 1 59 . 1 1 14 14 ILE H H 1 8.480 0.002 . 1 . . . . . 12 ILE H . 27276 1 60 . 1 1 14 14 ILE C C 13 177.814 0.034 . 1 . . . . . 12 ILE C . 27276 1 61 . 1 1 14 14 ILE CA C 13 66.981 0.054 . 1 . . . . . 12 ILE CA . 27276 1 62 . 1 1 14 14 ILE CB C 13 38.182 0.029 . 1 . . . . . 12 ILE CB . 27276 1 63 . 1 1 14 14 ILE N N 15 121.705 0.020 . 1 . . . . . 12 ILE N . 27276 1 64 . 1 1 15 15 GLN H H 1 8.762 0.001 . 1 . . . . . 13 GLN H . 27276 1 65 . 1 1 15 15 GLN HE21 H 1 6.943 0.000 . 1 . . . . . 13 GLN HE21 . 27276 1 66 . 1 1 15 15 GLN HE22 H 1 6.900 0.000 . 1 . . . . . 13 GLN HE22 . 27276 1 67 . 1 1 15 15 GLN C C 13 178.672 0.009 . 1 . . . . . 13 GLN C . 27276 1 68 . 1 1 15 15 GLN CA C 13 59.345 0.006 . 1 . . . . . 13 GLN CA . 27276 1 69 . 1 1 15 15 GLN CB C 13 28.406 0.076 . 1 . . . . . 13 GLN CB . 27276 1 70 . 1 1 15 15 GLN N N 15 120.284 0.010 . 1 . . . . . 13 GLN N . 27276 1 71 . 1 1 15 15 GLN NE2 N 15 112.863 0.001 . 1 . . . . . 13 GLN NE2 . 27276 1 72 . 1 1 16 16 PHE H H 1 7.732 0.003 . 1 . . . . . 14 PHE H . 27276 1 73 . 1 1 16 16 PHE C C 13 177.012 0.007 . 1 . . . . . 14 PHE C . 27276 1 74 . 1 1 16 16 PHE CA C 13 60.014 0.020 . 1 . . . . . 14 PHE CA . 27276 1 75 . 1 1 16 16 PHE CB C 13 39.276 0.045 . 1 . . . . . 14 PHE CB . 27276 1 76 . 1 1 16 16 PHE N N 15 121.760 0.028 . 1 . . . . . 14 PHE N . 27276 1 77 . 1 1 17 17 LEU H H 1 8.621 0.001 . 1 . . . . . 15 LEU H . 27276 1 78 . 1 1 17 17 LEU C C 13 178.879 0.013 . 1 . . . . . 15 LEU C . 27276 1 79 . 1 1 17 17 LEU CA C 13 58.186 0.010 . 1 . . . . . 15 LEU CA . 27276 1 80 . 1 1 17 17 LEU CB C 13 40.707 0.019 . 1 . . . . . 15 LEU CB . 27276 1 81 . 1 1 17 17 LEU N N 15 119.753 0.022 . 1 . . . . . 15 LEU N . 27276 1 82 . 1 1 18 18 HIS H H 1 8.815 0.002 . 1 . . . . . 16 HIS H . 27276 1 83 . 1 1 18 18 HIS C C 13 177.725 0.022 . 1 . . . . . 16 HIS C . 27276 1 84 . 1 1 18 18 HIS CA C 13 60.519 0.017 . 1 . . . . . 16 HIS CA . 27276 1 85 . 1 1 18 18 HIS CB C 13 29.397 0.003 . 1 . . . . . 16 HIS CB . 27276 1 86 . 1 1 18 18 HIS N N 15 119.272 0.028 . 1 . . . . . 16 HIS N . 27276 1 87 . 1 1 19 19 ASP H H 1 8.383 0.004 . 1 . . . . . 17 ASP H . 27276 1 88 . 1 1 19 19 ASP C C 13 179.095 0.006 . 1 . . . . . 17 ASP C . 27276 1 89 . 1 1 19 19 ASP CA C 13 58.016 0.120 . 1 . . . . . 17 ASP CA . 27276 1 90 . 1 1 19 19 ASP CB C 13 41.316 0.080 . 1 . . . . . 17 ASP CB . 27276 1 91 . 1 1 19 19 ASP N N 15 121.225 0.056 . 1 . . . . . 17 ASP N . 27276 1 92 . 1 1 20 20 GLN H H 1 8.160 0.001 . 1 . . . . . 18 GLN H . 27276 1 93 . 1 1 20 20 GLN HE21 H 1 7.237 0.000 . 1 . . . . . 18 GLN HE21 . 27276 1 94 . 1 1 20 20 GLN HE22 H 1 7.118 0.000 . 1 . . . . . 18 GLN HE22 . 27276 1 95 . 1 1 20 20 GLN C C 13 178.562 0.002 . 1 . . . . . 18 GLN C . 27276 1 96 . 1 1 20 20 GLN CA C 13 57.592 0.058 . 1 . . . . . 18 GLN CA . 27276 1 97 . 1 1 20 20 GLN CB C 13 28.333 0.022 . 1 . . . . . 18 GLN CB . 27276 1 98 . 1 1 20 20 GLN N N 15 118.834 0.018 . 1 . . . . . 18 GLN N . 27276 1 99 . 1 1 20 20 GLN NE2 N 15 115.948 0.000 . 1 . . . . . 18 GLN NE2 . 27276 1 100 . 1 1 21 21 LEU H H 1 8.029 0.002 . 1 . . . . . 19 LEU H . 27276 1 101 . 1 1 21 21 LEU C C 13 177.934 0.011 . 1 . . . . . 19 LEU C . 27276 1 102 . 1 1 21 21 LEU CA C 13 58.378 0.075 . 1 . . . . . 19 LEU CA . 27276 1 103 . 1 1 21 21 LEU CB C 13 42.222 0.048 . 1 . . . . . 19 LEU CB . 27276 1 104 . 1 1 21 21 LEU N N 15 121.676 0.039 . 1 . . . . . 19 LEU N . 27276 1 105 . 1 1 22 22 ARG H H 1 7.450 0.002 . 1 . . . . . 20 ARG H . 27276 1 106 . 1 1 22 22 ARG C C 13 178.489 0.010 . 1 . . . . . 20 ARG C . 27276 1 107 . 1 1 22 22 ARG CA C 13 57.483 0.105 . 1 . . . . . 20 ARG CA . 27276 1 108 . 1 1 22 22 ARG CB C 13 30.681 0.000 . 1 . . . . . 20 ARG CB . 27276 1 109 . 1 1 22 22 ARG N N 15 115.186 0.007 . 1 . . . . . 20 ARG N . 27276 1 110 . 1 1 23 23 HIS H H 1 8.303 0.001 . 1 . . . . . 21 HIS H . 27276 1 111 . 1 1 23 23 HIS C C 13 176.145 0.013 . 1 . . . . . 21 HIS C . 27276 1 112 . 1 1 23 23 HIS CA C 13 55.762 0.064 . 1 . . . . . 21 HIS CA . 27276 1 113 . 1 1 23 23 HIS CB C 13 30.169 0.000 . 1 . . . . . 21 HIS CB . 27276 1 114 . 1 1 23 23 HIS N N 15 114.758 0.012 . 1 . . . . . 21 HIS N . 27276 1 115 . 1 1 24 24 GLY H H 1 8.115 0.001 . 1 . . . . . 22 GLY H . 27276 1 116 . 1 1 24 24 GLY C C 13 174.378 0.007 . 1 . . . . . 22 GLY C . 27276 1 117 . 1 1 24 24 GLY CA C 13 45.964 0.060 . 1 . . . . . 22 GLY CA . 27276 1 118 . 1 1 24 24 GLY N N 15 108.885 0.020 . 1 . . . . . 22 GLY N . 27276 1 119 . 1 1 25 25 GLY H H 1 8.589 0.001 . 1 . . . . . 23 GLY H . 27276 1 120 . 1 1 25 25 GLY C C 13 175.213 0.037 . 1 . . . . . 23 GLY C . 27276 1 121 . 1 1 25 25 GLY CA C 13 46.419 0.016 . 1 . . . . . 23 GLY CA . 27276 1 122 . 1 1 25 25 GLY N N 15 110.757 0.004 . 1 . . . . . 23 GLY N . 27276 1 123 . 1 1 26 26 LEU H H 1 8.276 0.001 . 1 . . . . . 24 LEU H . 27276 1 124 . 1 1 26 26 LEU C C 13 177.884 0.013 . 1 . . . . . 24 LEU C . 27276 1 125 . 1 1 26 26 LEU CA C 13 54.105 0.005 . 1 . . . . . 24 LEU CA . 27276 1 126 . 1 1 26 26 LEU CB C 13 42.982 0.020 . 1 . . . . . 24 LEU CB . 27276 1 127 . 1 1 26 26 LEU N N 15 120.275 0.023 . 1 . . . . . 24 LEU N . 27276 1 128 . 1 1 27 27 SER H H 1 8.685 0.001 . 1 . . . . . 25 SER H . 27276 1 129 . 1 1 27 27 SER C C 13 175.131 0.004 . 1 . . . . . 25 SER C . 27276 1 130 . 1 1 27 27 SER CA C 13 57.749 0.089 . 1 . . . . . 25 SER CA . 27276 1 131 . 1 1 27 27 SER CB C 13 64.624 0.003 . 1 . . . . . 25 SER CB . 27276 1 132 . 1 1 27 27 SER N N 15 118.095 0.010 . 1 . . . . . 25 SER N . 27276 1 133 . 1 1 28 28 SER H H 1 9.047 0.000 . 1 . . . . . 26 SER H . 27276 1 134 . 1 1 28 28 SER C C 13 177.000 0.000 . 1 . . . . . 26 SER C . 27276 1 135 . 1 1 28 28 SER CA C 13 62.273 0.010 . 1 . . . . . 26 SER CA . 27276 1 136 . 1 1 28 28 SER N N 15 118.086 0.010 . 1 . . . . . 26 SER N . 27276 1 137 . 1 1 29 29 ASP H H 1 8.429 0.001 . 1 . . . . . 27 ASP H . 27276 1 138 . 1 1 29 29 ASP C C 13 178.560 0.012 . 1 . . . . . 27 ASP C . 27276 1 139 . 1 1 29 29 ASP CA C 13 57.007 0.033 . 1 . . . . . 27 ASP CA . 27276 1 140 . 1 1 29 29 ASP CB C 13 40.072 0.019 . 1 . . . . . 27 ASP CB . 27276 1 141 . 1 1 29 29 ASP N N 15 120.931 0.023 . 1 . . . . . 27 ASP N . 27276 1 142 . 1 1 30 30 ALA H H 1 7.766 0.002 . 1 . . . . . 28 ALA H . 27276 1 143 . 1 1 30 30 ALA C C 13 179.415 0.016 . 1 . . . . . 28 ALA C . 27276 1 144 . 1 1 30 30 ALA CA C 13 55.294 0.022 . 1 . . . . . 28 ALA CA . 27276 1 145 . 1 1 30 30 ALA CB C 13 19.392 0.049 . 1 . . . . . 28 ALA CB . 27276 1 146 . 1 1 30 30 ALA N N 15 125.368 0.017 . 1 . . . . . 28 ALA N . 27276 1 147 . 1 1 31 31 GLN H H 1 8.488 0.002 . 1 . . . . . 29 GLN H . 27276 1 148 . 1 1 31 31 GLN HE21 H 1 7.244 0.000 . 1 . . . . . 29 GLN HE21 . 27276 1 149 . 1 1 31 31 GLN HE22 H 1 6.792 0.000 . 1 . . . . . 29 GLN HE22 . 27276 1 150 . 1 1 31 31 GLN C C 13 177.896 0.003 . 1 . . . . . 29 GLN C . 27276 1 151 . 1 1 31 31 GLN CA C 13 59.950 0.007 . 1 . . . . . 29 GLN CA . 27276 1 152 . 1 1 31 31 GLN CB C 13 28.466 0.012 . 1 . . . . . 29 GLN CB . 27276 1 153 . 1 1 31 31 GLN N N 15 118.185 0.042 . 1 . . . . . 29 GLN N . 27276 1 154 . 1 1 31 31 GLN NE2 N 15 112.348 0.004 . 1 . . . . . 29 GLN NE2 . 27276 1 155 . 1 1 32 32 GLU H H 1 7.907 0.001 . 1 . . . . . 30 GLU H . 27276 1 156 . 1 1 32 32 GLU C C 13 179.371 0.013 . 1 . . . . . 30 GLU C . 27276 1 157 . 1 1 32 32 GLU CA C 13 59.827 0.000 . 1 . . . . . 30 GLU CA . 27276 1 158 . 1 1 32 32 GLU CB C 13 28.918 0.032 . 1 . . . . . 30 GLU CB . 27276 1 159 . 1 1 32 32 GLU N N 15 119.209 0.074 . 1 . . . . . 30 GLU N . 27276 1 160 . 1 1 33 33 SER H H 1 7.762 0.002 . 1 . . . . . 31 SER H . 27276 1 161 . 1 1 33 33 SER C C 13 176.460 0.000 . 1 . . . . . 31 SER C . 27276 1 162 . 1 1 33 33 SER CA C 13 63.350 0.041 . 1 . . . . . 31 SER CA . 27276 1 163 . 1 1 33 33 SER N N 15 115.295 0.025 . 1 . . . . . 31 SER N . 27276 1 164 . 1 1 34 34 LEU H H 1 8.235 0.001 . 1 . . . . . 32 LEU H . 27276 1 165 . 1 1 34 34 LEU C C 13 178.351 0.006 . 1 . . . . . 32 LEU C . 27276 1 166 . 1 1 34 34 LEU CA C 13 58.150 0.061 . 1 . . . . . 32 LEU CA . 27276 1 167 . 1 1 34 34 LEU CB C 13 41.587 0.108 . 1 . . . . . 32 LEU CB . 27276 1 168 . 1 1 34 34 LEU N N 15 122.527 0.028 . 1 . . . . . 32 LEU N . 27276 1 169 . 1 1 35 35 GLU H H 1 8.202 0.001 . 1 . . . . . 33 GLU H . 27276 1 170 . 1 1 35 35 GLU C C 13 180.088 0.003 . 1 . . . . . 33 GLU C . 27276 1 171 . 1 1 35 35 GLU CA C 13 60.480 0.028 . 1 . . . . . 33 GLU CA . 27276 1 172 . 1 1 35 35 GLU CB C 13 29.221 0.058 . 1 . . . . . 33 GLU CB . 27276 1 173 . 1 1 35 35 GLU N N 15 119.960 0.019 . 1 . . . . . 33 GLU N . 27276 1 174 . 1 1 36 36 VAL H H 1 7.717 0.002 . 1 . . . . . 34 VAL H . 27276 1 175 . 1 1 36 36 VAL C C 13 178.705 0.000 . 1 . . . . . 34 VAL C . 27276 1 176 . 1 1 36 36 VAL CA C 13 66.578 0.079 . 1 . . . . . 34 VAL CA . 27276 1 177 . 1 1 36 36 VAL CB C 13 31.783 0.000 . 1 . . . . . 34 VAL CB . 27276 1 178 . 1 1 36 36 VAL N N 15 121.127 0.042 . 1 . . . . . 34 VAL N . 27276 1 179 . 1 1 37 37 ALA H H 1 8.433 0.001 . 1 . . . . . 35 ALA H . 27276 1 180 . 1 1 37 37 ALA C C 13 179.431 0.004 . 1 . . . . . 35 ALA C . 27276 1 181 . 1 1 37 37 ALA CA C 13 56.319 0.068 . 1 . . . . . 35 ALA CA . 27276 1 182 . 1 1 37 37 ALA CB C 13 18.290 0.028 . 1 . . . . . 35 ALA CB . 27276 1 183 . 1 1 37 37 ALA N N 15 122.735 0.015 . 1 . . . . . 35 ALA N . 27276 1 184 . 1 1 38 38 ILE H H 1 8.555 0.001 . 1 . . . . . 36 ILE H . 27276 1 185 . 1 1 38 38 ILE C C 13 177.139 0.009 . 1 . . . . . 36 ILE C . 27276 1 186 . 1 1 38 38 ILE CA C 13 67.511 0.012 . 1 . . . . . 36 ILE CA . 27276 1 187 . 1 1 38 38 ILE CB C 13 38.705 0.033 . 1 . . . . . 36 ILE CB . 27276 1 188 . 1 1 38 38 ILE N N 15 117.324 0.016 . 1 . . . . . 36 ILE N . 27276 1 189 . 1 1 39 39 GLN H H 1 7.382 0.002 . 1 . . . . . 37 GLN H . 27276 1 190 . 1 1 39 39 GLN HE21 H 1 7.448 0.000 . 1 . . . . . 37 GLN HE21 . 27276 1 191 . 1 1 39 39 GLN HE22 H 1 6.847 0.000 . 1 . . . . . 37 GLN HE22 . 27276 1 192 . 1 1 39 39 GLN C C 13 179.769 0.006 . 1 . . . . . 37 GLN C . 27276 1 193 . 1 1 39 39 GLN CA C 13 59.253 0.092 . 1 . . . . . 37 GLN CA . 27276 1 194 . 1 1 39 39 GLN CB C 13 28.306 0.040 . 1 . . . . . 37 GLN CB . 27276 1 195 . 1 1 39 39 GLN N N 15 119.371 0.010 . 1 . . . . . 37 GLN N . 27276 1 196 . 1 1 39 39 GLN NE2 N 15 112.648 0.010 . 1 . . . . . 37 GLN NE2 . 27276 1 197 . 1 1 40 40 CYS H H 1 8.558 0.001 . 1 . . . . . 38 CYS H . 27276 1 198 . 1 1 40 40 CYS C C 13 177.251 0.002 . 1 . . . . . 38 CYS C . 27276 1 199 . 1 1 40 40 CYS CA C 13 64.087 0.003 . 1 . . . . . 38 CYS CA . 27276 1 200 . 1 1 40 40 CYS CB C 13 28.141 0.000 . 1 . . . . . 38 CYS CB . 27276 1 201 . 1 1 40 40 CYS N N 15 118.372 0.016 . 1 . . . . . 38 CYS N . 27276 1 202 . 1 1 41 41 LEU H H 1 8.528 0.001 . 1 . . . . . 39 LEU H . 27276 1 203 . 1 1 41 41 LEU C C 13 179.063 0.016 . 1 . . . . . 39 LEU C . 27276 1 204 . 1 1 41 41 LEU CA C 13 58.570 0.081 . 1 . . . . . 39 LEU CA . 27276 1 205 . 1 1 41 41 LEU CB C 13 41.979 0.036 . 1 . . . . . 39 LEU CB . 27276 1 206 . 1 1 41 41 LEU N N 15 120.769 0.012 . 1 . . . . . 39 LEU N . 27276 1 207 . 1 1 42 42 GLU H H 1 8.664 0.004 . 1 . . . . . 40 GLU H . 27276 1 208 . 1 1 42 42 GLU C C 13 180.847 0.010 . 1 . . . . . 40 GLU C . 27276 1 209 . 1 1 42 42 GLU CA C 13 60.001 0.014 . 1 . . . . . 40 GLU CA . 27276 1 210 . 1 1 42 42 GLU CB C 13 29.683 0.044 . 1 . . . . . 40 GLU CB . 27276 1 211 . 1 1 42 42 GLU N N 15 120.928 0.072 . 1 . . . . . 40 GLU N . 27276 1 212 . 1 1 43 43 THR H H 1 7.958 0.003 . 1 . . . . . 41 THR H . 27276 1 213 . 1 1 43 43 THR C C 13 176.873 0.008 . 1 . . . . . 41 THR C . 27276 1 214 . 1 1 43 43 THR CA C 13 65.872 0.018 . 1 . . . . . 41 THR CA . 27276 1 215 . 1 1 43 43 THR CB C 13 68.798 0.024 . 1 . . . . . 41 THR CB . 27276 1 216 . 1 1 43 43 THR N N 15 115.106 0.015 . 1 . . . . . 41 THR N . 27276 1 217 . 1 1 44 44 ALA H H 1 8.495 0.001 . 1 . . . . . 42 ALA H . 27276 1 218 . 1 1 44 44 ALA C C 13 178.449 0.003 . 1 . . . . . 42 ALA C . 27276 1 219 . 1 1 44 44 ALA CA C 13 55.287 0.025 . 1 . . . . . 42 ALA CA . 27276 1 220 . 1 1 44 44 ALA CB C 13 18.965 0.041 . 1 . . . . . 42 ALA CB . 27276 1 221 . 1 1 44 44 ALA N N 15 123.367 0.016 . 1 . . . . . 42 ALA N . 27276 1 222 . 1 1 45 45 PHE H H 1 8.093 0.001 . 1 . . . . . 43 PHE H . 27276 1 223 . 1 1 45 45 PHE C C 13 176.439 0.010 . 1 . . . . . 43 PHE C . 27276 1 224 . 1 1 45 45 PHE CA C 13 58.117 0.076 . 1 . . . . . 43 PHE CA . 27276 1 225 . 1 1 45 45 PHE CB C 13 40.050 0.019 . 1 . . . . . 43 PHE CB . 27276 1 226 . 1 1 45 45 PHE N N 15 109.730 0.015 . 1 . . . . . 43 PHE N . 27276 1 227 . 1 1 46 46 GLY H H 1 7.912 0.001 . 1 . . . . . 44 GLY H . 27276 1 228 . 1 1 46 46 GLY C C 13 174.409 0.005 . 1 . . . . . 44 GLY C . 27276 1 229 . 1 1 46 46 GLY CA C 13 47.648 0.013 . 1 . . . . . 44 GLY CA . 27276 1 230 . 1 1 46 46 GLY N N 15 111.399 0.007 . 1 . . . . . 44 GLY N . 27276 1 231 . 1 1 47 47 VAL H H 1 7.542 0.002 . 1 . . . . . 45 VAL H . 27276 1 232 . 1 1 47 47 VAL C C 13 173.690 0.009 . 1 . . . . . 45 VAL C . 27276 1 233 . 1 1 47 47 VAL CA C 13 59.286 0.053 . 1 . . . . . 45 VAL CA . 27276 1 234 . 1 1 47 47 VAL CB C 13 35.965 0.028 . 1 . . . . . 45 VAL CB . 27276 1 235 . 1 1 47 47 VAL N N 15 114.650 0.016 . 1 . . . . . 45 VAL N . 27276 1 236 . 1 1 48 48 THR H H 1 8.801 0.001 . 1 . . . . . 46 THR H . 27276 1 237 . 1 1 48 48 THR C C 13 176.182 0.008 . 1 . . . . . 46 THR C . 27276 1 238 . 1 1 48 48 THR CA C 13 59.728 0.077 . 1 . . . . . 46 THR CA . 27276 1 239 . 1 1 48 48 THR CB C 13 73.369 0.014 . 1 . . . . . 46 THR CB . 27276 1 240 . 1 1 48 48 THR N N 15 111.838 0.015 . 1 . . . . . 46 THR N . 27276 1 241 . 1 1 49 49 VAL H H 1 8.401 0.005 . 1 . . . . . 47 VAL H . 27276 1 242 . 1 1 49 49 VAL C C 13 176.280 0.001 . 1 . . . . . 47 VAL C . 27276 1 243 . 1 1 49 49 VAL CA C 13 64.603 0.014 . 1 . . . . . 47 VAL CA . 27276 1 244 . 1 1 49 49 VAL CB C 13 31.870 0.020 . 1 . . . . . 47 VAL CB . 27276 1 245 . 1 1 49 49 VAL N N 15 117.730 0.017 . 1 . . . . . 47 VAL N . 27276 1 246 . 1 1 50 50 GLU H H 1 8.009 0.001 . 1 . . . . . 48 GLU H . 27276 1 247 . 1 1 50 50 GLU C C 13 177.791 0.006 . 1 . . . . . 48 GLU C . 27276 1 248 . 1 1 50 50 GLU CA C 13 57.242 0.051 . 1 . . . . . 48 GLU CA . 27276 1 249 . 1 1 50 50 GLU CB C 13 29.360 0.039 . 1 . . . . . 48 GLU CB . 27276 1 250 . 1 1 50 50 GLU N N 15 119.151 0.010 . 1 . . . . . 48 GLU N . 27276 1 251 . 1 1 51 51 ASP H H 1 7.817 0.001 . 1 . . . . . 49 ASP H . 27276 1 252 . 1 1 51 51 ASP C C 13 175.602 0.006 . 1 . . . . . 49 ASP C . 27276 1 253 . 1 1 51 51 ASP CA C 13 54.780 0.055 . 1 . . . . . 49 ASP CA . 27276 1 254 . 1 1 51 51 ASP CB C 13 39.760 0.056 . 1 . . . . . 49 ASP CB . 27276 1 255 . 1 1 51 51 ASP N N 15 124.281 0.013 . 1 . . . . . 49 ASP N . 27276 1 256 . 1 1 52 52 SER H H 1 8.138 0.001 . 1 . . . . . 50 SER H . 27276 1 257 . 1 1 52 52 SER C C 13 176.306 0.037 . 1 . . . . . 50 SER C . 27276 1 258 . 1 1 52 52 SER CA C 13 60.546 0.019 . 1 . . . . . 50 SER CA . 27276 1 259 . 1 1 52 52 SER CB C 13 63.338 0.045 . 1 . . . . . 50 SER CB . 27276 1 260 . 1 1 52 52 SER N N 15 115.531 0.027 . 1 . . . . . 50 SER N . 27276 1 261 . 1 1 53 53 ASP H H 1 8.841 0.001 . 1 . . . . . 51 ASP H . 27276 1 262 . 1 1 53 53 ASP C C 13 176.905 0.003 . 1 . . . . . 51 ASP C . 27276 1 263 . 1 1 53 53 ASP CA C 13 55.792 0.035 . 1 . . . . . 51 ASP CA . 27276 1 264 . 1 1 53 53 ASP CB C 13 39.437 0.015 . 1 . . . . . 51 ASP CB . 27276 1 265 . 1 1 53 53 ASP N N 15 122.593 0.015 . 1 . . . . . 51 ASP N . 27276 1 266 . 1 1 54 54 LEU H H 1 7.678 0.001 . 1 . . . . . 52 LEU H . 27276 1 267 . 1 1 54 54 LEU C C 13 177.321 0.006 . 1 . . . . . 52 LEU C . 27276 1 268 . 1 1 54 54 LEU CA C 13 54.647 0.004 . 1 . . . . . 52 LEU CA . 27276 1 269 . 1 1 54 54 LEU CB C 13 41.834 0.016 . 1 . . . . . 52 LEU CB . 27276 1 270 . 1 1 54 54 LEU N N 15 118.129 0.007 . 1 . . . . . 52 LEU N . 27276 1 271 . 1 1 55 55 ALA H H 1 7.128 0.001 . 1 . . . . . 53 ALA H . 27276 1 272 . 1 1 55 55 ALA C C 13 177.931 0.002 . 1 . . . . . 53 ALA C . 27276 1 273 . 1 1 55 55 ALA CA C 13 53.234 0.027 . 1 . . . . . 53 ALA CA . 27276 1 274 . 1 1 55 55 ALA CB C 13 20.172 0.023 . 1 . . . . . 53 ALA CB . 27276 1 275 . 1 1 55 55 ALA N N 15 122.229 0.014 . 1 . . . . . 53 ALA N . 27276 1 276 . 1 1 56 56 LEU H H 1 8.670 0.001 . 1 . . . . . 54 LEU H . 27276 1 277 . 1 1 56 56 LEU CB C 13 42.173 0.000 . 1 . . . . . 54 LEU CB . 27276 1 278 . 1 1 56 56 LEU N N 15 123.290 0.037 . 1 . . . . . 54 LEU N . 27276 1 279 . 1 1 57 57 PRO C C 13 176.734 0.004 . 1 . . . . . 55 PRO C . 27276 1 280 . 1 1 57 57 PRO CA C 13 64.564 0.029 . 1 . . . . . 55 PRO CA . 27276 1 281 . 1 1 57 57 PRO CB C 13 31.846 0.000 . 1 . . . . . 55 PRO CB . 27276 1 282 . 1 1 58 58 GLN H H 1 6.835 0.001 . 1 . . . . . 56 GLN H . 27276 1 283 . 1 1 58 58 GLN HE21 H 1 7.482 0.000 . 1 . . . . . 56 GLN HE21 . 27276 1 284 . 1 1 58 58 GLN HE22 H 1 6.648 0.000 . 1 . . . . . 56 GLN HE22 . 27276 1 285 . 1 1 58 58 GLN C C 13 175.087 0.004 . 1 . . . . . 56 GLN C . 27276 1 286 . 1 1 58 58 GLN CA C 13 54.582 0.073 . 1 . . . . . 56 GLN CA . 27276 1 287 . 1 1 58 58 GLN CB C 13 32.399 0.028 . 1 . . . . . 56 GLN CB . 27276 1 288 . 1 1 58 58 GLN N N 15 114.325 0.005 . 1 . . . . . 56 GLN N . 27276 1 289 . 1 1 58 58 GLN NE2 N 15 111.411 0.003 . 1 . . . . . 56 GLN NE2 . 27276 1 290 . 1 1 59 59 THR H H 1 8.537 0.001 . 1 . . . . . 57 THR H . 27276 1 291 . 1 1 59 59 THR C C 13 175.526 0.015 . 1 . . . . . 57 THR C . 27276 1 292 . 1 1 59 59 THR CA C 13 61.035 0.081 . 1 . . . . . 57 THR CA . 27276 1 293 . 1 1 59 59 THR CB C 13 71.077 0.007 . 1 . . . . . 57 THR CB . 27276 1 294 . 1 1 59 59 THR N N 15 111.707 0.010 . 1 . . . . . 57 THR N . 27276 1 295 . 1 1 60 60 LEU H H 1 9.217 0.001 . 1 . . . . . 58 LEU H . 27276 1 296 . 1 1 60 60 LEU C C 13 175.344 0.000 . 1 . . . . . 58 LEU C . 27276 1 297 . 1 1 60 60 LEU CA C 13 58.968 0.000 . 1 . . . . . 58 LEU CA . 27276 1 298 . 1 1 60 60 LEU CB C 13 39.987 0.000 . 1 . . . . . 58 LEU CB . 27276 1 299 . 1 1 60 60 LEU N N 15 120.295 0.008 . 1 . . . . . 58 LEU N . 27276 1 300 . 1 1 61 61 PRO C C 13 178.633 0.012 . 1 . . . . . 59 PRO C . 27276 1 301 . 1 1 61 61 PRO CA C 13 66.841 0.039 . 1 . . . . . 59 PRO CA . 27276 1 302 . 1 1 61 61 PRO CB C 13 30.764 0.000 . 1 . . . . . 59 PRO CB . 27276 1 303 . 1 1 62 62 GLU H H 1 7.065 0.001 . 1 . . . . . 60 GLU H . 27276 1 304 . 1 1 62 62 GLU C C 13 179.880 0.010 . 1 . . . . . 60 GLU C . 27276 1 305 . 1 1 62 62 GLU CA C 13 59.380 0.027 . 1 . . . . . 60 GLU CA . 27276 1 306 . 1 1 62 62 GLU CB C 13 30.043 0.017 . 1 . . . . . 60 GLU CB . 27276 1 307 . 1 1 62 62 GLU N N 15 118.018 0.008 . 1 . . . . . 60 GLU N . 27276 1 308 . 1 1 63 63 ILE H H 1 8.128 0.002 . 1 . . . . . 61 ILE H . 27276 1 309 . 1 1 63 63 ILE C C 13 178.404 0.001 . 1 . . . . . 61 ILE C . 27276 1 310 . 1 1 63 63 ILE CA C 13 65.028 0.048 . 1 . . . . . 61 ILE CA . 27276 1 311 . 1 1 63 63 ILE CB C 13 39.196 0.000 . 1 . . . . . 61 ILE CB . 27276 1 312 . 1 1 63 63 ILE N N 15 121.200 0.064 . 1 . . . . . 61 ILE N . 27276 1 313 . 1 1 64 64 PHE H H 1 8.888 0.001 . 1 . . . . . 62 PHE H . 27276 1 314 . 1 1 64 64 PHE C C 13 176.435 0.008 . 1 . . . . . 62 PHE C . 27276 1 315 . 1 1 64 64 PHE CA C 13 62.448 0.055 . 1 . . . . . 62 PHE CA . 27276 1 316 . 1 1 64 64 PHE CB C 13 40.809 0.029 . 1 . . . . . 62 PHE CB . 27276 1 317 . 1 1 64 64 PHE N N 15 121.899 0.017 . 1 . . . . . 62 PHE N . 27276 1 318 . 1 1 65 65 GLU H H 1 8.494 0.001 . 1 . . . . . 63 GLU H . 27276 1 319 . 1 1 65 65 GLU C C 13 178.935 0.003 . 1 . . . . . 63 GLU C . 27276 1 320 . 1 1 65 65 GLU CA C 13 59.415 0.070 . 1 . . . . . 63 GLU CA . 27276 1 321 . 1 1 65 65 GLU CB C 13 29.300 0.043 . 1 . . . . . 63 GLU CB . 27276 1 322 . 1 1 65 65 GLU N N 15 118.757 0.037 . 1 . . . . . 63 GLU N . 27276 1 323 . 1 1 66 66 ALA H H 1 7.321 0.001 . 1 . . . . . 64 ALA H . 27276 1 324 . 1 1 66 66 ALA C C 13 179.296 0.009 . 1 . . . . . 64 ALA C . 27276 1 325 . 1 1 66 66 ALA CA C 13 54.559 0.075 . 1 . . . . . 64 ALA CA . 27276 1 326 . 1 1 66 66 ALA CB C 13 18.112 0.040 . 1 . . . . . 64 ALA CB . 27276 1 327 . 1 1 66 66 ALA N N 15 120.531 0.013 . 1 . . . . . 64 ALA N . 27276 1 328 . 1 1 67 67 ALA H H 1 7.270 0.001 . 1 . . . . . 65 ALA H . 27276 1 329 . 1 1 67 67 ALA C C 13 179.055 0.000 . 1 . . . . . 65 ALA C . 27276 1 330 . 1 1 67 67 ALA CA C 13 53.612 0.079 . 1 . . . . . 65 ALA CA . 27276 1 331 . 1 1 67 67 ALA CB C 13 18.943 0.083 . 1 . . . . . 65 ALA CB . 27276 1 332 . 1 1 67 67 ALA N N 15 120.543 0.007 . 1 . . . . . 65 ALA N . 27276 1 333 . 1 1 68 68 ALA H H 1 8.051 0.002 . 1 . . . . . 66 ALA H . 27276 1 334 . 1 1 68 68 ALA C C 13 178.392 0.007 . 1 . . . . . 66 ALA C . 27276 1 335 . 1 1 68 68 ALA CA C 13 53.502 0.048 . 1 . . . . . 66 ALA CA . 27276 1 336 . 1 1 68 68 ALA CB C 13 18.834 0.044 . 1 . . . . . 66 ALA CB . 27276 1 337 . 1 1 68 68 ALA N N 15 120.863 0.020 . 1 . . . . . 66 ALA N . 27276 1 338 . 1 1 69 69 THR H H 1 7.676 0.001 . 1 . . . . . 67 THR H . 27276 1 339 . 1 1 69 69 THR C C 13 175.501 0.005 . 1 . . . . . 67 THR C . 27276 1 340 . 1 1 69 69 THR CA C 13 62.847 0.029 . 1 . . . . . 67 THR CA . 27276 1 341 . 1 1 69 69 THR CB C 13 70.066 0.013 . 1 . . . . . 67 THR CB . 27276 1 342 . 1 1 69 69 THR N N 15 110.974 0.012 . 1 . . . . . 67 THR N . 27276 1 343 . 1 1 70 70 GLY H H 1 8.077 0.001 . 1 . . . . . 68 GLY H . 27276 1 344 . 1 1 70 70 GLY C C 13 174.164 0.003 . 1 . . . . . 68 GLY C . 27276 1 345 . 1 1 70 70 GLY CA C 13 45.895 0.018 . 1 . . . . . 68 GLY CA . 27276 1 346 . 1 1 70 70 GLY N N 15 111.759 0.012 . 1 . . . . . 68 GLY N . 27276 1 347 . 1 1 71 71 LYS H H 1 8.053 0.000 . 1 . . . . . 69 LYS H . 27276 1 348 . 1 1 71 71 LYS C C 13 176.331 0.002 . 1 . . . . . 69 LYS C . 27276 1 349 . 1 1 71 71 LYS CA C 13 55.818 0.022 . 1 . . . . . 69 LYS CA . 27276 1 350 . 1 1 71 71 LYS CB C 13 33.063 0.034 . 1 . . . . . 69 LYS CB . 27276 1 351 . 1 1 71 71 LYS N N 15 121.014 0.009 . 1 . . . . . 69 LYS N . 27276 1 352 . 1 1 72 72 GLU H H 1 8.418 0.001 . 1 . . . . . 70 GLU H . 27276 1 353 . 1 1 72 72 GLU C C 13 176.324 0.008 . 1 . . . . . 70 GLU C . 27276 1 354 . 1 1 72 72 GLU CA C 13 56.347 0.029 . 1 . . . . . 70 GLU CA . 27276 1 355 . 1 1 72 72 GLU CB C 13 30.084 0.031 . 1 . . . . . 70 GLU CB . 27276 1 356 . 1 1 72 72 GLU N N 15 122.378 0.029 . 1 . . . . . 70 GLU N . 27276 1 357 . 1 1 73 73 MET H H 1 8.463 0.005 . 1 . . . . . 71 MET H . 27276 1 358 . 1 1 73 73 MET C C 13 174.337 0.000 . 1 . . . . . 71 MET C . 27276 1 359 . 1 1 73 73 MET CA C 13 53.443 0.000 . 1 . . . . . 71 MET CA . 27276 1 360 . 1 1 73 73 MET CB C 13 32.391 0.000 . 1 . . . . . 71 MET CB . 27276 1 361 . 1 1 73 73 MET N N 15 123.712 0.015 . 1 . . . . . 71 MET N . 27276 1 362 . 1 1 74 74 PRO C C 13 177.129 0.001 . 1 . . . . . 72 PRO C . 27276 1 363 . 1 1 74 74 PRO CA C 13 63.462 0.006 . 1 . . . . . 72 PRO CA . 27276 1 364 . 1 1 74 74 PRO CB C 13 32.230 0.047 . 1 . . . . . 72 PRO CB . 27276 1 365 . 1 1 75 75 GLN H H 1 8.560 0.000 . 1 . . . . . 73 GLN H . 27276 1 366 . 1 1 75 75 GLN HE21 H 1 7.577 0.000 . 1 . . . . . 73 GLN HE21 . 27276 1 367 . 1 1 75 75 GLN HE22 H 1 6.860 0.000 . 1 . . . . . 73 GLN HE22 . 27276 1 368 . 1 1 75 75 GLN C C 13 175.880 0.014 . 1 . . . . . 73 GLN C . 27276 1 369 . 1 1 75 75 GLN CA C 13 56.176 0.196 . 1 . . . . . 73 GLN CA . 27276 1 370 . 1 1 75 75 GLN CB C 13 29.592 0.083 . 1 . . . . . 73 GLN CB . 27276 1 371 . 1 1 75 75 GLN N N 15 121.244 0.005 . 1 . . . . . 73 GLN N . 27276 1 372 . 1 1 75 75 GLN NE2 N 15 113.421 0.008 . 1 . . . . . 73 GLN NE2 . 27276 1 373 . 1 1 76 76 ASP H H 1 8.414 0.002 . 1 . . . . . 74 ASP H . 27276 1 374 . 1 1 76 76 ASP C C 13 176.287 0.010 . 1 . . . . . 74 ASP C . 27276 1 375 . 1 1 76 76 ASP CA C 13 54.160 0.002 . 1 . . . . . 74 ASP CA . 27276 1 376 . 1 1 76 76 ASP CB C 13 41.108 0.033 . 1 . . . . . 74 ASP CB . 27276 1 377 . 1 1 76 76 ASP N N 15 121.623 0.129 . 1 . . . . . 74 ASP N . 27276 1 378 . 1 1 77 77 LEU H H 1 8.164 0.001 . 1 . . . . . 75 LEU H . 27276 1 379 . 1 1 77 77 LEU C C 13 177.461 0.005 . 1 . . . . . 75 LEU C . 27276 1 380 . 1 1 77 77 LEU CA C 13 55.120 0.152 . 1 . . . . . 75 LEU CA . 27276 1 381 . 1 1 77 77 LEU CB C 13 42.242 0.039 . 1 . . . . . 75 LEU CB . 27276 1 382 . 1 1 77 77 LEU N N 15 123.392 0.014 . 1 . . . . . 75 LEU N . 27276 1 383 . 1 1 78 78 ARG H H 1 8.217 0.000 . 1 . . . . . 76 ARG H . 27276 1 384 . 1 1 78 78 ARG C C 13 176.339 0.004 . 1 . . . . . 76 ARG C . 27276 1 385 . 1 1 78 78 ARG CA C 13 56.117 0.111 . 1 . . . . . 76 ARG CA . 27276 1 386 . 1 1 78 78 ARG CB C 13 30.655 0.016 . 1 . . . . . 76 ARG CB . 27276 1 387 . 1 1 78 78 ARG N N 15 121.489 0.057 . 1 . . . . . 76 ARG N . 27276 1 388 . 1 1 79 79 SER H H 1 8.215 0.000 . 1 . . . . . 77 SER H . 27276 1 389 . 1 1 79 79 SER C C 13 172.769 0.000 . 1 . . . . . 77 SER C . 27276 1 390 . 1 1 79 79 SER CA C 13 56.430 0.000 . 1 . . . . . 77 SER CA . 27276 1 391 . 1 1 79 79 SER CB C 13 63.443 0.000 . 1 . . . . . 77 SER CB . 27276 1 392 . 1 1 79 79 SER N N 15 118.429 0.002 . 1 . . . . . 77 SER N . 27276 1 393 . 1 1 80 80 PRO C C 13 176.676 0.000 . 1 . . . . . 78 PRO C . 27276 1 394 . 1 1 80 80 PRO CA C 13 63.452 0.000 . 1 . . . . . 78 PRO CA . 27276 1 395 . 1 1 80 80 PRO CB C 13 32.082 0.008 . 1 . . . . . 78 PRO CB . 27276 1 396 . 1 1 81 81 ALA H H 1 8.324 0.001 . 1 . . . . . 79 ALA H . 27276 1 397 . 1 1 81 81 ALA C C 13 177.748 0.009 . 1 . . . . . 79 ALA C . 27276 1 398 . 1 1 81 81 ALA CA C 13 52.433 0.006 . 1 . . . . . 79 ALA CA . 27276 1 399 . 1 1 81 81 ALA CB C 13 19.054 0.031 . 1 . . . . . 79 ALA CB . 27276 1 400 . 1 1 81 81 ALA N N 15 124.744 0.007 . 1 . . . . . 79 ALA N . 27276 1 401 . 1 1 82 82 ARG H H 1 8.292 0.001 . 1 . . . . . 80 ARG H . 27276 1 402 . 1 1 82 82 ARG C C 13 176.293 0.009 . 1 . . . . . 80 ARG C . 27276 1 403 . 1 1 82 82 ARG CA C 13 55.830 0.007 . 1 . . . . . 80 ARG CA . 27276 1 404 . 1 1 82 82 ARG CB C 13 31.069 0.003 . 1 . . . . . 80 ARG CB . 27276 1 405 . 1 1 82 82 ARG N N 15 121.156 0.008 . 1 . . . . . 80 ARG N . 27276 1 406 . 1 1 83 83 THR H H 1 8.255 0.001 . 1 . . . . . 81 THR H . 27276 1 407 . 1 1 83 83 THR C C 13 172.375 0.000 . 1 . . . . . 81 THR C . 27276 1 408 . 1 1 83 83 THR CA C 13 59.997 0.000 . 1 . . . . . 81 THR CA . 27276 1 409 . 1 1 83 83 THR N N 15 119.495 0.138 . 1 . . . . . 81 THR N . 27276 1 410 . 1 1 85 85 PRO C C 13 176.972 0.007 . 1 . . . . . 83 PRO C . 27276 1 411 . 1 1 85 85 PRO CA C 13 63.360 0.000 . 1 . . . . . 83 PRO CA . 27276 1 412 . 1 1 85 85 PRO CB C 13 32.120 0.000 . 1 . . . . . 83 PRO CB . 27276 1 413 . 1 1 86 86 SER H H 1 8.371 0.001 . 1 . . . . . 84 SER H . 27276 1 414 . 1 1 86 86 SER C C 13 174.606 0.006 . 1 . . . . . 84 SER C . 27276 1 415 . 1 1 86 86 SER CA C 13 58.671 0.037 . 1 . . . . . 84 SER CA . 27276 1 416 . 1 1 86 86 SER CB C 13 63.997 0.056 . 1 . . . . . 84 SER CB . 27276 1 417 . 1 1 86 86 SER N N 15 116.490 0.013 . 1 . . . . . 84 SER N . 27276 1 418 . 1 1 87 87 GLU H H 1 8.450 0.006 . 1 . . . . . 85 GLU H . 27276 1 419 . 1 1 87 87 GLU C C 13 175.498 0.003 . 1 . . . . . 85 GLU C . 27276 1 420 . 1 1 87 87 GLU CA C 13 56.373 0.047 . 1 . . . . . 85 GLU CA . 27276 1 421 . 1 1 87 87 GLU CB C 13 30.507 0.040 . 1 . . . . . 85 GLU CB . 27276 1 422 . 1 1 87 87 GLU N N 15 123.756 0.016 . 1 . . . . . 85 GLU N . 27276 1 423 . 1 1 88 88 GLU H H 1 7.974 0.002 . 1 . . . . . 86 GLU H . 27276 1 424 . 1 1 88 88 GLU C C 13 181.138 0.000 . 1 . . . . . 86 GLU C . 27276 1 425 . 1 1 88 88 GLU CA C 13 58.171 0.000 . 1 . . . . . 86 GLU CA . 27276 1 426 . 1 1 88 88 GLU CB C 13 31.108 0.000 . 1 . . . . . 86 GLU CB . 27276 1 427 . 1 1 88 88 GLU N N 15 127.302 0.014 . 1 . . . . . 86 GLU N . 27276 1 stop_ save_