data_51325 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51325 _Entry.Title ; N-terminal domain of SARS-CoV-2 Nsp8 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-12 _Entry.Accession_date 2022-02-12 _Entry.Last_release_date 2022-02-14 _Entry.Original_release_date 2022-02-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Miguel Trevino . A. . . 51325 2 David Pantoja-Uceda . . . . 51325 3 Douglas Laurents . V. . . 51325 4 Miguel Mompean . . . . 51325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51325 coupling_constants 1 51325 heteronucl_NOEs 1 51325 heteronucl_T1_relaxation 1 51325 heteronucl_T1rho_relaxation 1 51325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 51325 '15N chemical shifts' 80 51325 '1H chemical shifts' 534 51325 'T1 relaxation values' 79 51325 'T1rho relaxation values' 79 51325 'coupling constants' 64 51325 'heteronuclear NOE values' 79 51325 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 . . 2024-03-08 2022-02-12 update BMRB 'update entry citation' 51325 1 . . 2022-02-21 2022-02-12 original author 'original release' 51325 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51325 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37665006 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; SARS-CoV-2 Nsp8 N-terminal domain folds autonomously and binds dsRNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 51 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 10041 _Citation.Page_last 10048 _Citation.Year 2023 _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 Miguel Trevino . A. . . 51325 1 2 David Pantoja-Uceda . . . . 51325 1 3 Douglas Laurents . V. . . 51325 1 4 Miguel Mompean . . . . 51325 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51325 _Assembly.ID 1 _Assembly.Name homodimer _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Nsp8 NTD, chain 1' 1 $entity_1 . . yes native no no . . . 51325 1 2 'Nsp8 NTD, chain 2' 1 $entity_1 . . yes native no no . . . 51325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51325 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AIASEFSSLPSYAAFATAQE AYEQAVANGDSEVVLKKLKK SLNVAKSEFDRDAAMQRKLE KMADQAMTQMYKQARSEDKR AKVT ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . ALA . 51325 1 2 . ILE . 51325 1 3 . ALA . 51325 1 4 . SER . 51325 1 5 . GLU . 51325 1 6 . PHE . 51325 1 7 . SER . 51325 1 8 . SER . 51325 1 9 . LEU . 51325 1 10 . PRO . 51325 1 11 . SER . 51325 1 12 . TYR . 51325 1 13 . ALA . 51325 1 14 . ALA . 51325 1 15 . PHE . 51325 1 16 . ALA . 51325 1 17 . THR . 51325 1 18 . ALA . 51325 1 19 . GLN . 51325 1 20 . GLU . 51325 1 21 . ALA . 51325 1 22 . TYR . 51325 1 23 . GLU . 51325 1 24 . GLN . 51325 1 25 . ALA . 51325 1 26 . VAL . 51325 1 27 . ALA . 51325 1 28 . ASN . 51325 1 29 . GLY . 51325 1 30 . ASP . 51325 1 31 . SER . 51325 1 32 . GLU . 51325 1 33 . VAL . 51325 1 34 . VAL . 51325 1 35 . LEU . 51325 1 36 . LYS . 51325 1 37 . LYS . 51325 1 38 . LEU . 51325 1 39 . LYS . 51325 1 40 . LYS . 51325 1 41 . SER . 51325 1 42 . LEU . 51325 1 43 . ASN . 51325 1 44 . VAL . 51325 1 45 . ALA . 51325 1 46 . LYS . 51325 1 47 . SER . 51325 1 48 . GLU . 51325 1 49 . PHE . 51325 1 50 . ASP . 51325 1 51 . ARG . 51325 1 52 . ASP . 51325 1 53 . ALA . 51325 1 54 . ALA . 51325 1 55 . MET . 51325 1 56 . GLN . 51325 1 57 . ARG . 51325 1 58 . LYS . 51325 1 59 . LEU . 51325 1 60 . GLU . 51325 1 61 . LYS . 51325 1 62 . MET . 51325 1 63 . ALA . 51325 1 64 . ASP . 51325 1 65 . GLN . 51325 1 66 . ALA . 51325 1 67 . MET . 51325 1 68 . THR . 51325 1 69 . GLN . 51325 1 70 . MET . 51325 1 71 . TYR . 51325 1 72 . LYS . 51325 1 73 . GLN . 51325 1 74 . ALA . 51325 1 75 . ARG . 51325 1 76 . SER . 51325 1 77 . GLU . 51325 1 78 . ASP . 51325 1 79 . LYS . 51325 1 80 . ARG . 51325 1 81 . ALA . 51325 1 82 . LYS . 51325 1 83 . VAL . 51325 1 84 . THR . 51325 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 . ALA 1 1 51325 1 . ILE 2 2 51325 1 . ALA 3 3 51325 1 . SER 4 4 51325 1 . GLU 5 5 51325 1 . PHE 6 6 51325 1 . SER 7 7 51325 1 . SER 8 8 51325 1 . LEU 9 9 51325 1 . PRO 10 10 51325 1 . SER 11 11 51325 1 . TYR 12 12 51325 1 . ALA 13 13 51325 1 . ALA 14 14 51325 1 . PHE 15 15 51325 1 . ALA 16 16 51325 1 . THR 17 17 51325 1 . ALA 18 18 51325 1 . GLN 19 19 51325 1 . GLU 20 20 51325 1 . ALA 21 21 51325 1 . TYR 22 22 51325 1 . GLU 23 23 51325 1 . GLN 24 24 51325 1 . ALA 25 25 51325 1 . VAL 26 26 51325 1 . ALA 27 27 51325 1 . ASN 28 28 51325 1 . GLY 29 29 51325 1 . ASP 30 30 51325 1 . SER 31 31 51325 1 . GLU 32 32 51325 1 . VAL 33 33 51325 1 . VAL 34 34 51325 1 . LEU 35 35 51325 1 . LYS 36 36 51325 1 . LYS 37 37 51325 1 . LEU 38 38 51325 1 . LYS 39 39 51325 1 . LYS 40 40 51325 1 . SER 41 41 51325 1 . LEU 42 42 51325 1 . ASN 43 43 51325 1 . VAL 44 44 51325 1 . ALA 45 45 51325 1 . LYS 46 46 51325 1 . SER 47 47 51325 1 . GLU 48 48 51325 1 . PHE 49 49 51325 1 . ASP 50 50 51325 1 . ARG 51 51 51325 1 . ASP 52 52 51325 1 . ALA 53 53 51325 1 . ALA 54 54 51325 1 . MET 55 55 51325 1 . GLN 56 56 51325 1 . ARG 57 57 51325 1 . LYS 58 58 51325 1 . LEU 59 59 51325 1 . GLU 60 60 51325 1 . LYS 61 61 51325 1 . MET 62 62 51325 1 . ALA 63 63 51325 1 . ASP 64 64 51325 1 . GLN 65 65 51325 1 . ALA 66 66 51325 1 . MET 67 67 51325 1 . THR 68 68 51325 1 . GLN 69 69 51325 1 . MET 70 70 51325 1 . TYR 71 71 51325 1 . LYS 72 72 51325 1 . GLN 73 73 51325 1 . ALA 74 74 51325 1 . ARG 75 75 51325 1 . SER 76 76 51325 1 . GLU 77 77 51325 1 . ASP 78 78 51325 1 . LYS 79 79 51325 1 . ARG 80 80 51325 1 . ALA 81 81 51325 1 . LYS 82 82 51325 1 . VAL 83 83 51325 1 . THR 84 84 51325 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51325 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 51325 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51325 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28 . . . 51325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51325 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 molecule_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 51325 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51325 1 3 KH2PO4 'natural abundance' . . . . . . 10 . . mM . . . . 51325 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 51325 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions_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' 60 . mM 51325 1 pH 6.1 . pH 51325 1 pressure 1 . atm 51325 1 temperature 278 . K 51325 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51325 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51325 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NEO 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51325 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 11 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 12 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 13 hsqct1etf3gpsi no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 14 hsqctref3gpsi no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 15 hsqcnoef3gpsi no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 16 hnhagp3d no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51325 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51325 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_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 internal indirect . . . . . . 51325 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51325 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 51325 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51325 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shift_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51325 1 2 '3D HNCA' . . . 51325 1 3 '3D HNCO' . . . 51325 1 4 '3D HNCACB' . . . 51325 1 5 '3D CBCA(CO)NH' . . . 51325 1 6 '3D HN(CA)CO' . . . 51325 1 7 '3D HN(CO)CA' . . . 51325 1 8 '3D HBHA(CO)NH' . . . 51325 1 9 '3D H(CCO)NH' . . . 51325 1 10 '3D HCCH-TOCSY' . . . 51325 1 11 '3D C(CO)NH' . . . 51325 1 12 '3D HNHA' . . . 51325 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51325 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 ALA H H 1 8.725 0.00 . . . . . . . 1 ALA H . 51325 1 2 . 1 . 1 1 1 ALA HA H 1 4.153 0.26 . . . . . . . 1 ALA HA . 51325 1 3 . 1 . 1 1 1 ALA HB1 H 1 1.362 0.00 . . . . . . . 1 ALA HB# . 51325 1 4 . 1 . 1 1 1 ALA HB2 H 1 1.362 0.00 . . . . . . . 1 ALA HB# . 51325 1 5 . 1 . 1 1 1 ALA HB3 H 1 1.362 0.00 . . . . . . . 1 ALA HB# . 51325 1 6 . 1 . 1 1 1 ALA C C 13 178.002 0.00 . . . . . . . 1 ALA C . 51325 1 7 . 1 . 1 1 1 ALA CA C 13 52.558 0.03 . . . . . . . 1 ALA CA . 51325 1 8 . 1 . 1 1 1 ALA CB C 13 19.615 0.06 . . . . . . . 1 ALA CB . 51325 1 9 . 1 . 1 1 1 ALA N N 15 123.664 0.01 . . . . . . . 1 ALA N . 51325 1 10 . 1 . 1 2 2 ILE H H 1 8.441 0.00 . . . . . . . 2 ILE H . 51325 1 11 . 1 . 1 2 2 ILE HA H 1 4.195 0.04 . . . . . . . 2 ILE HA . 51325 1 12 . 1 . 1 2 2 ILE HB H 1 1.846 0.01 . . . . . . . 2 ILE HB . 51325 1 13 . 1 . 1 2 2 ILE HG12 H 1 1.504 0.01 . . . . . . . 2 ILE HG12 . 51325 1 14 . 1 . 1 2 2 ILE HG13 H 1 1.217 0.03 . . . . . . . 2 ILE HG13 . 51325 1 15 . 1 . 1 2 2 ILE HG21 H 1 0.940 0.01 . . . . . . . 2 ILE QG2 . 51325 1 16 . 1 . 1 2 2 ILE HG22 H 1 0.940 0.01 . . . . . . . 2 ILE QG2 . 51325 1 17 . 1 . 1 2 2 ILE HG23 H 1 0.940 0.01 . . . . . . . 2 ILE QG2 . 51325 1 18 . 1 . 1 2 2 ILE HD11 H 1 0.804 0.01 . . . . . . . 2 ILE QD1 . 51325 1 19 . 1 . 1 2 2 ILE HD12 H 1 0.804 0.01 . . . . . . . 2 ILE QD1 . 51325 1 20 . 1 . 1 2 2 ILE HD13 H 1 0.804 0.01 . . . . . . . 2 ILE QD1 . 51325 1 21 . 1 . 1 2 2 ILE C C 13 176.263 0.00 . . . . . . . 2 ILE C . 51325 1 22 . 1 . 1 2 2 ILE CA C 13 61.002 0.12 . . . . . . . 2 ILE CA . 51325 1 23 . 1 . 1 2 2 ILE CB C 13 38.781 0.13 . . . . . . . 2 ILE CB . 51325 1 24 . 1 . 1 2 2 ILE CG1 C 13 27.279 0.18 . . . . . . . 2 ILE CG1 . 51325 1 25 . 1 . 1 2 2 ILE CG2 C 13 17.404 0.20 . . . . . . . 2 ILE CG2 . 51325 1 26 . 1 . 1 2 2 ILE CD1 C 13 12.741 0.05 . . . . . . . 2 ILE CD1 . 51325 1 27 . 1 . 1 2 2 ILE N N 15 121.268 0.03 . . . . . . . 2 ILE N . 51325 1 28 . 1 . 1 3 3 ALA H H 1 8.659 0.00 . . . . . . . 3 ALA H . 51325 1 29 . 1 . 1 3 3 ALA HA H 1 4.322 0.01 . . . . . . . 3 ALA HA . 51325 1 30 . 1 . 1 3 3 ALA HB1 H 1 1.430 0.01 . . . . . . . 3 ALA HB# . 51325 1 31 . 1 . 1 3 3 ALA HB2 H 1 1.430 0.01 . . . . . . . 3 ALA HB# . 51325 1 32 . 1 . 1 3 3 ALA HB3 H 1 1.430 0.01 . . . . . . . 3 ALA HB# . 51325 1 33 . 1 . 1 3 3 ALA C C 13 178.026 0.01 . . . . . . . 3 ALA C . 51325 1 34 . 1 . 1 3 3 ALA CA C 13 52.855 0.14 . . . . . . . 3 ALA CA . 51325 1 35 . 1 . 1 3 3 ALA CB C 13 19.115 0.22 . . . . . . . 3 ALA CB . 51325 1 36 . 1 . 1 3 3 ALA N N 15 129.507 0.02 . . . . . . . 3 ALA N . 51325 1 37 . 1 . 1 4 4 SER H H 1 8.459 0.01 . . . . . . . 4 SER H . 51325 1 38 . 1 . 1 4 4 SER HA H 1 4.382 0.01 . . . . . . . 4 SER HA . 51325 1 39 . 1 . 1 4 4 SER HB2 H 1 3.961 0.01 . . . . . . . 4 SER HB2 . 51325 1 40 . 1 . 1 4 4 SER HB3 H 1 3.679 0.01 . . . . . . . 4 SER HB3 . 51325 1 41 . 1 . 1 4 4 SER C C 13 175.553 0.01 . . . . . . . 4 SER C . 51325 1 42 . 1 . 1 4 4 SER CA C 13 58.894 0.11 . . . . . . . 4 SER CA . 51325 1 43 . 1 . 1 4 4 SER CB C 13 63.770 0.19 . . . . . . . 4 SER CB . 51325 1 44 . 1 . 1 4 4 SER N N 15 115.524 0.03 . . . . . . . 4 SER N . 51325 1 45 . 1 . 1 5 5 GLU H H 1 8.922 0.00 . . . . . . . 5 GLU H . 51325 1 46 . 1 . 1 5 5 GLU HA H 1 4.101 0.01 . . . . . . . 5 GLU HA . 51325 1 47 . 1 . 1 5 5 GLU HB2 H 1 1.727 0.03 . . . . . . . 5 GLU HB2 . 51325 1 48 . 1 . 1 5 5 GLU HB3 H 1 1.725 0.01 . . . . . . . 5 GLU HB3 . 51325 1 49 . 1 . 1 5 5 GLU HG2 H 1 1.833 0.01 . . . . . . . 5 GLU HG2 . 51325 1 50 . 1 . 1 5 5 GLU HG3 H 1 1.660 0.00 . . . . . . . 5 GLU HG3 . 51325 1 51 . 1 . 1 5 5 GLU C C 13 176.802 0.01 . . . . . . . 5 GLU C . 51325 1 52 . 1 . 1 5 5 GLU CA C 13 57.852 0.14 . . . . . . . 5 GLU CA . 51325 1 53 . 1 . 1 5 5 GLU CB C 13 29.400 0.19 . . . . . . . 5 GLU CB . 51325 1 54 . 1 . 1 5 5 GLU CG C 13 35.491 0.18 . . . . . . . 5 GLU CG . 51325 1 55 . 1 . 1 5 5 GLU N N 15 124.407 0.03 . . . . . . . 5 GLU N . 51325 1 56 . 1 . 1 6 6 PHE H H 1 8.367 0.00 . . . . . . . 6 PHE H . 51325 1 57 . 1 . 1 6 6 PHE HA H 1 4.786 0.02 . . . . . . . 6 PHE HA . 51325 1 58 . 1 . 1 6 6 PHE HB2 H 1 3.567 0.01 . . . . . . . 6 PHE HB2 . 51325 1 59 . 1 . 1 6 6 PHE HB3 H 1 2.975 0.01 . . . . . . . 6 PHE HB3 . 51325 1 60 . 1 . 1 6 6 PHE HD1 H 1 7.162 0.00 . . . . . . . 6 PHE QD . 51325 1 61 . 1 . 1 6 6 PHE HD2 H 1 7.162 0.00 . . . . . . . 6 PHE QD . 51325 1 62 . 1 . 1 6 6 PHE HE1 H 1 7.464 0.00 . . . . . . . 6 PHE QE . 51325 1 63 . 1 . 1 6 6 PHE HE2 H 1 7.464 0.00 . . . . . . . 6 PHE QE . 51325 1 64 . 1 . 1 6 6 PHE HZ H 1 7.327 0.00 . . . . . . . 6 PHE HZ . 51325 1 65 . 1 . 1 6 6 PHE C C 13 176.163 0.01 . . . . . . . 6 PHE C . 51325 1 66 . 1 . 1 6 6 PHE CA C 13 58.026 0.13 . . . . . . . 6 PHE CA . 51325 1 67 . 1 . 1 6 6 PHE CB C 13 38.586 0.17 . . . . . . . 6 PHE CB . 51325 1 68 . 1 . 1 6 6 PHE N N 15 118.341 0.02 . . . . . . . 6 PHE N . 51325 1 69 . 1 . 1 7 7 SER H H 1 7.393 0.01 . . . . . . . 7 SER H . 51325 1 70 . 1 . 1 7 7 SER HA H 1 3.540 0.01 . . . . . . . 7 SER HA . 51325 1 71 . 1 . 1 7 7 SER HB2 H 1 3.546 0.00 . . . . . . . 7 SER HB2 . 51325 1 72 . 1 . 1 7 7 SER HB3 H 1 3.334 0.03 . . . . . . . 7 SER HB3 . 51325 1 73 . 1 . 1 7 7 SER C C 13 174.472 0.00 . . . . . . . 7 SER C . 51325 1 74 . 1 . 1 7 7 SER CA C 13 59.866 0.12 . . . . . . . 7 SER CA . 51325 1 75 . 1 . 1 7 7 SER CB C 13 62.542 0.16 . . . . . . . 7 SER CB . 51325 1 76 . 1 . 1 7 7 SER N N 15 113.281 0.01 . . . . . . . 7 SER N . 51325 1 77 . 1 . 1 8 8 SER H H 1 8.195 0.00 . . . . . . . 8 SER H . 51325 1 78 . 1 . 1 8 8 SER HA H 1 4.507 0.01 . . . . . . . 8 SER HA . 51325 1 79 . 1 . 1 8 8 SER HB2 H 1 4.010 0.02 . . . . . . . 8 SER HB2 . 51325 1 80 . 1 . 1 8 8 SER HB3 H 1 3.892 0.02 . . . . . . . 8 SER HB3 . 51325 1 81 . 1 . 1 8 8 SER C C 13 175.556 0.01 . . . . . . . 8 SER C . 51325 1 82 . 1 . 1 8 8 SER CA C 13 58.649 0.17 . . . . . . . 8 SER CA . 51325 1 83 . 1 . 1 8 8 SER CB C 13 63.374 0.12 . . . . . . . 8 SER CB . 51325 1 84 . 1 . 1 8 8 SER N N 15 114.982 0.01 . . . . . . . 8 SER N . 51325 1 85 . 1 . 1 9 9 LEU H H 1 8.064 0.00 . . . . . . . 9 LEU H . 51325 1 86 . 1 . 1 9 9 LEU HA H 1 4.691 0.01 . . . . . . . 9 LEU HA . 51325 1 87 . 1 . 1 9 9 LEU HB2 H 1 2.274 0.00 . . . . . . . 9 LEU HB2 . 51325 1 88 . 1 . 1 9 9 LEU HB3 H 1 1.832 0.02 . . . . . . . 9 LEU HB3 . 51325 1 89 . 1 . 1 9 9 LEU HG H 1 2.115 0.01 . . . . . . . 9 LEU HG . 51325 1 90 . 1 . 1 9 9 LEU HD11 H 1 1.004 0.02 . . . . . . . 9 LEU QD1 . 51325 1 91 . 1 . 1 9 9 LEU HD12 H 1 1.004 0.02 . . . . . . . 9 LEU QD1 . 51325 1 92 . 1 . 1 9 9 LEU HD13 H 1 1.004 0.02 . . . . . . . 9 LEU QD1 . 51325 1 93 . 1 . 1 9 9 LEU HD21 H 1 1.002 0.02 . . . . . . . 9 LEU QD2 . 51325 1 94 . 1 . 1 9 9 LEU HD22 H 1 1.002 0.02 . . . . . . . 9 LEU QD2 . 51325 1 95 . 1 . 1 9 9 LEU HD23 H 1 1.002 0.02 . . . . . . . 9 LEU QD2 . 51325 1 96 . 1 . 1 9 9 LEU C C 13 177.899 0.00 . . . . . . . 9 LEU C . 51325 1 97 . 1 . 1 9 9 LEU CA C 13 53.758 0.17 . . . . . . . 9 LEU CA . 51325 1 98 . 1 . 1 9 9 LEU CB C 13 41.421 0.12 . . . . . . . 9 LEU CB . 51325 1 99 . 1 . 1 9 9 LEU CG C 13 26.812 0.05 . . . . . . . 9 LEU CG . 51325 1 100 . 1 . 1 9 9 LEU CD1 C 13 22.656 0.00 . . . . . . . 9 LEU CD1 . 51325 1 101 . 1 . 1 9 9 LEU CD2 C 13 22.753 0.05 . . . . . . . 9 LEU CD2 . 51325 1 102 . 1 . 1 9 9 LEU N N 15 124.961 0.02 . . . . . . . 9 LEU N . 51325 1 103 . 1 . 1 10 10 PRO HA H 1 4.500 0.01 . . . . . . . 10 PRO HA . 51325 1 104 . 1 . 1 10 10 PRO HB2 H 1 2.514 0.01 . . . . . . . 10 PRO QB . 51325 1 105 . 1 . 1 10 10 PRO HB3 H 1 2.514 0.01 . . . . . . . 10 PRO QB . 51325 1 106 . 1 . 1 10 10 PRO HG2 H 1 2.275 0.01 . . . . . . . 10 PRO HG2 . 51325 1 107 . 1 . 1 10 10 PRO HG3 H 1 2.168 0.02 . . . . . . . 10 PRO HG3 . 51325 1 108 . 1 . 1 10 10 PRO HD2 H 1 4.196 0.02 . . . . . . . 10 PRO HD2 . 51325 1 109 . 1 . 1 10 10 PRO HD3 H 1 3.978 0.00 . . . . . . . 10 PRO HD3 . 51325 1 110 . 1 . 1 10 10 PRO C C 13 178.359 0.00 . . . . . . . 10 PRO C . 51325 1 111 . 1 . 1 10 10 PRO CA C 13 65.751 0.19 . . . . . . . 10 PRO CA . 51325 1 112 . 1 . 1 10 10 PRO CB C 13 32.043 0.17 . . . . . . . 10 PRO CB . 51325 1 113 . 1 . 1 10 10 PRO CG C 13 27.557 0.01 . . . . . . . 10 PRO CG . 51325 1 114 . 1 . 1 10 10 PRO CD C 13 50.591 0.01 . . . . . . . 10 PRO CD . 51325 1 115 . 1 . 1 11 11 SER H H 1 8.184 0.00 . . . . . . . 11 SER H . 51325 1 116 . 1 . 1 11 11 SER HA H 1 4.440 0.02 . . . . . . . 11 SER HA . 51325 1 117 . 1 . 1 11 11 SER HB2 H 1 4.119 0.01 . . . . . . . 11 SER HB2 . 51325 1 118 . 1 . 1 11 11 SER HB3 H 1 4.047 0.00 . . . . . . . 11 SER HB3 . 51325 1 119 . 1 . 1 11 11 SER C C 13 177.954 0.03 . . . . . . . 11 SER C . 51325 1 120 . 1 . 1 11 11 SER CA C 13 59.163 0.13 . . . . . . . 11 SER CA . 51325 1 121 . 1 . 1 11 11 SER CB C 13 62.319 0.15 . . . . . . . 11 SER CB . 51325 1 122 . 1 . 1 11 11 SER N N 15 109.523 0.03 . . . . . . . 11 SER N . 51325 1 123 . 1 . 1 12 12 TYR H H 1 8.340 0.00 . . . . . . . 12 TYR H . 51325 1 124 . 1 . 1 12 12 TYR HA H 1 3.859 0.01 . . . . . . . 12 TYR HA . 51325 1 125 . 1 . 1 12 12 TYR HB2 H 1 3.249 0.01 . . . . . . . 12 TYR QB . 51325 1 126 . 1 . 1 12 12 TYR HB3 H 1 3.249 0.01 . . . . . . . 12 TYR QB . 51325 1 127 . 1 . 1 12 12 TYR HD1 H 1 6.602 0.00 . . . . . . . 12 TYR QD . 51325 1 128 . 1 . 1 12 12 TYR HD2 H 1 6.602 0.00 . . . . . . . 12 TYR QD . 51325 1 129 . 1 . 1 12 12 TYR HE1 H 1 6.676 0.00 . . . . . . . 12 TYR QE . 51325 1 130 . 1 . 1 12 12 TYR HE2 H 1 6.676 0.00 . . . . . . . 12 TYR QE . 51325 1 131 . 1 . 1 12 12 TYR C C 13 176.941 0.02 . . . . . . . 12 TYR C . 51325 1 132 . 1 . 1 12 12 TYR CA C 13 62.591 0.12 . . . . . . . 12 TYR CA . 51325 1 133 . 1 . 1 12 12 TYR CB C 13 37.959 0.14 . . . . . . . 12 TYR CB . 51325 1 134 . 1 . 1 12 12 TYR N N 15 125.858 0.03 . . . . . . . 12 TYR N . 51325 1 135 . 1 . 1 13 13 ALA H H 1 8.027 0.00 . . . . . . . 13 ALA H . 51325 1 136 . 1 . 1 13 13 ALA HA H 1 3.962 0.01 . . . . . . . 13 ALA HA . 51325 1 137 . 1 . 1 13 13 ALA HB1 H 1 1.534 0.01 . . . . . . . 13 ALA HB# . 51325 1 138 . 1 . 1 13 13 ALA HB2 H 1 1.534 0.01 . . . . . . . 13 ALA HB# . 51325 1 139 . 1 . 1 13 13 ALA HB3 H 1 1.534 0.01 . . . . . . . 13 ALA HB# . 51325 1 140 . 1 . 1 13 13 ALA C C 13 180.489 0.02 . . . . . . . 13 ALA C . 51325 1 141 . 1 . 1 13 13 ALA CA C 13 55.509 0.13 . . . . . . . 13 ALA CA . 51325 1 142 . 1 . 1 13 13 ALA CB C 13 17.818 0.00 . . . . . . . 13 ALA CB . 51325 1 143 . 1 . 1 13 13 ALA N N 15 121.638 0.03 . . . . . . . 13 ALA N . 51325 1 144 . 1 . 1 14 14 ALA H H 1 8.226 0.00 . . . . . . . 14 ALA H . 51325 1 145 . 1 . 1 14 14 ALA HA H 1 4.089 0.01 . . . . . . . 14 ALA HA . 51325 1 146 . 1 . 1 14 14 ALA HB1 H 1 1.499 0.01 . . . . . . . 14 ALA HB# . 51325 1 147 . 1 . 1 14 14 ALA HB2 H 1 1.499 0.01 . . . . . . . 14 ALA HB# . 51325 1 148 . 1 . 1 14 14 ALA HB3 H 1 1.499 0.01 . . . . . . . 14 ALA HB# . 51325 1 149 . 1 . 1 14 14 ALA C C 13 180.964 0.01 . . . . . . . 14 ALA C . 51325 1 150 . 1 . 1 14 14 ALA CA C 13 55.066 0.04 . . . . . . . 14 ALA CA . 51325 1 151 . 1 . 1 14 14 ALA CB C 13 18.289 0.13 . . . . . . . 14 ALA CB . 51325 1 152 . 1 . 1 14 14 ALA N N 15 118.768 0.02 . . . . . . . 14 ALA N . 51325 1 153 . 1 . 1 15 15 PHE H H 1 7.379 0.01 . . . . . . . 15 PHE H . 51325 1 154 . 1 . 1 15 15 PHE HA H 1 4.349 0.01 . . . . . . . 15 PHE HA . 51325 1 155 . 1 . 1 15 15 PHE HB2 H 1 3.037 0.01 . . . . . . . 15 PHE HB2 . 51325 1 156 . 1 . 1 15 15 PHE HB3 H 1 2.981 0.02 . . . . . . . 15 PHE HB3 . 51325 1 157 . 1 . 1 15 15 PHE HD1 H 1 6.706 0.01 . . . . . . . 15 PHE QD . 51325 1 158 . 1 . 1 15 15 PHE HD2 H 1 6.706 0.01 . . . . . . . 15 PHE QD . 51325 1 159 . 1 . 1 15 15 PHE HE1 H 1 7.290 0.00 . . . . . . . 15 PHE QE . 51325 1 160 . 1 . 1 15 15 PHE HE2 H 1 7.290 0.00 . . . . . . . 15 PHE QE . 51325 1 161 . 1 . 1 15 15 PHE C C 13 175.021 0.02 . . . . . . . 15 PHE C . 51325 1 162 . 1 . 1 15 15 PHE CA C 13 59.331 0.06 . . . . . . . 15 PHE CA . 51325 1 163 . 1 . 1 15 15 PHE CB C 13 38.128 0.08 . . . . . . . 15 PHE CB . 51325 1 164 . 1 . 1 15 15 PHE N N 15 120.695 0.03 . . . . . . . 15 PHE N . 51325 1 165 . 1 . 1 16 16 ALA H H 1 8.469 0.00 . . . . . . . 16 ALA H . 51325 1 166 . 1 . 1 16 16 ALA HA H 1 3.319 0.01 . . . . . . . 16 ALA HA . 51325 1 167 . 1 . 1 16 16 ALA HB1 H 1 0.972 0.01 . . . . . . . 16 ALA HB# . 51325 1 168 . 1 . 1 16 16 ALA HB2 H 1 0.972 0.01 . . . . . . . 16 ALA HB# . 51325 1 169 . 1 . 1 16 16 ALA HB3 H 1 0.972 0.01 . . . . . . . 16 ALA HB# . 51325 1 170 . 1 . 1 16 16 ALA C C 13 181.431 0.00 . . . . . . . 16 ALA C . 51325 1 171 . 1 . 1 16 16 ALA CA C 13 55.239 0.12 . . . . . . . 16 ALA CA . 51325 1 172 . 1 . 1 16 16 ALA CB C 13 17.038 0.16 . . . . . . . 16 ALA CB . 51325 1 173 . 1 . 1 16 16 ALA N N 15 123.622 0.04 . . . . . . . 16 ALA N . 51325 1 174 . 1 . 1 17 17 THR H H 1 8.389 0.00 . . . . . . . 17 THR H . 51325 1 175 . 1 . 1 17 17 THR HA H 1 3.887 0.01 . . . . . . . 17 THR HA . 51325 1 176 . 1 . 1 17 17 THR HB H 1 4.074 0.03 . . . . . . . 17 THR HB . 51325 1 177 . 1 . 1 17 17 THR HG21 H 1 1.250 0.01 . . . . . . . 17 THR QG2 . 51325 1 178 . 1 . 1 17 17 THR HG22 H 1 1.250 0.01 . . . . . . . 17 THR QG2 . 51325 1 179 . 1 . 1 17 17 THR HG23 H 1 1.250 0.01 . . . . . . . 17 THR QG2 . 51325 1 180 . 1 . 1 17 17 THR C C 13 176.601 0.01 . . . . . . . 17 THR C . 51325 1 181 . 1 . 1 17 17 THR CA C 13 66.457 0.18 . . . . . . . 17 THR CA . 51325 1 182 . 1 . 1 17 17 THR CB C 13 68.889 0.17 . . . . . . . 17 THR CB . 51325 1 183 . 1 . 1 17 17 THR CG2 C 13 21.338 0.00 . . . . . . . 17 THR CG2 . 51325 1 184 . 1 . 1 17 17 THR N N 15 114.789 0.02 . . . . . . . 17 THR N . 51325 1 185 . 1 . 1 18 18 ALA H H 1 7.794 0.00 . . . . . . . 18 ALA H . 51325 1 186 . 1 . 1 18 18 ALA HA H 1 4.192 0.00 . . . . . . . 18 ALA HA . 51325 1 187 . 1 . 1 18 18 ALA HB1 H 1 1.469 0.02 . . . . . . . 18 ALA HB# . 51325 1 188 . 1 . 1 18 18 ALA HB2 H 1 1.469 0.02 . . . . . . . 18 ALA HB# . 51325 1 189 . 1 . 1 18 18 ALA HB3 H 1 1.469 0.02 . . . . . . . 18 ALA HB# . 51325 1 190 . 1 . 1 18 18 ALA C C 13 180.920 0.00 . . . . . . . 18 ALA C . 51325 1 191 . 1 . 1 18 18 ALA CA C 13 55.109 0.05 . . . . . . . 18 ALA CA . 51325 1 192 . 1 . 1 18 18 ALA CB C 13 17.840 0.18 . . . . . . . 18 ALA CB . 51325 1 193 . 1 . 1 18 18 ALA N N 15 125.128 0.02 . . . . . . . 18 ALA N . 51325 1 194 . 1 . 1 19 19 GLN H H 1 8.896 0.00 . . . . . . . 19 GLN H . 51325 1 195 . 1 . 1 19 19 GLN HA H 1 3.962 0.01 . . . . . . . 19 GLN HA . 51325 1 196 . 1 . 1 19 19 GLN HB2 H 1 1.761 0.01 . . . . . . . 19 GLN QB . 51325 1 197 . 1 . 1 19 19 GLN HB3 H 1 1.761 0.01 . . . . . . . 19 GLN QB . 51325 1 198 . 1 . 1 19 19 GLN HG2 H 1 2.170 0.01 . . . . . . . 19 GLN HG2 . 51325 1 199 . 1 . 1 19 19 GLN HG3 H 1 2.124 0.01 . . . . . . . 19 GLN HG3 . 51325 1 200 . 1 . 1 19 19 GLN HE21 H 1 7.582 0.00 . . . . . . . 19 GLN HE21 . 51325 1 201 . 1 . 1 19 19 GLN HE22 H 1 6.709 0.00 . . . . . . . 19 GLN HE22 . 51325 1 202 . 1 . 1 19 19 GLN CA C 13 59.615 0.19 . . . . . . . 19 GLN CA . 51325 1 203 . 1 . 1 19 19 GLN CB C 13 27.881 0.16 . . . . . . . 19 GLN CB . 51325 1 204 . 1 . 1 19 19 GLN CG C 13 33.462 0.16 . . . . . . . 19 GLN CG . 51325 1 205 . 1 . 1 19 19 GLN N N 15 122.639 0.04 . . . . . . . 19 GLN N . 51325 1 206 . 1 . 1 20 20 GLU H H 1 7.946 0.00 . . . . . . . 20 GLU H . 51325 1 207 . 1 . 1 20 20 GLU HA H 1 4.085 0.01 . . . . . . . 20 GLU HA . 51325 1 208 . 1 . 1 20 20 GLU HB2 H 1 2.074 0.01 . . . . . . . 20 GLU QB . 51325 1 209 . 1 . 1 20 20 GLU HB3 H 1 2.074 0.01 . . . . . . . 20 GLU QB . 51325 1 210 . 1 . 1 20 20 GLU HG2 H 1 2.388 0.01 . . . . . . . 20 GLU QG . 51325 1 211 . 1 . 1 20 20 GLU HG3 H 1 2.388 0.01 . . . . . . . 20 GLU QG . 51325 1 212 . 1 . 1 20 20 GLU C C 13 178.740 0.00 . . . . . . . 20 GLU C . 51325 1 213 . 1 . 1 20 20 GLU CA C 13 59.356 0.02 . . . . . . . 20 GLU CA . 51325 1 214 . 1 . 1 20 20 GLU CB C 13 29.660 0.09 . . . . . . . 20 GLU CB . 51325 1 215 . 1 . 1 20 20 GLU CG C 13 36.197 0.00 . . . . . . . 20 GLU CG . 51325 1 216 . 1 . 1 20 20 GLU N N 15 120.078 0.03 . . . . . . . 20 GLU N . 51325 1 217 . 1 . 1 21 21 ALA H H 1 8.180 0.00 . . . . . . . 21 ALA H . 51325 1 218 . 1 . 1 21 21 ALA HA H 1 4.124 0.02 . . . . . . . 21 ALA HA . 51325 1 219 . 1 . 1 21 21 ALA HB1 H 1 1.503 0.01 . . . . . . . 21 ALA HB# . 51325 1 220 . 1 . 1 21 21 ALA HB2 H 1 1.503 0.01 . . . . . . . 21 ALA HB# . 51325 1 221 . 1 . 1 21 21 ALA HB3 H 1 1.503 0.01 . . . . . . . 21 ALA HB# . 51325 1 222 . 1 . 1 21 21 ALA C C 13 181.032 0.01 . . . . . . . 21 ALA C . 51325 1 223 . 1 . 1 21 21 ALA CA C 13 55.160 0.16 . . . . . . . 21 ALA CA . 51325 1 224 . 1 . 1 21 21 ALA CB C 13 18.047 0.15 . . . . . . . 21 ALA CB . 51325 1 225 . 1 . 1 21 21 ALA N N 15 120.327 0.03 . . . . . . . 21 ALA N . 51325 1 226 . 1 . 1 22 22 TYR H H 1 7.913 0.00 . . . . . . . 22 TYR H . 51325 1 227 . 1 . 1 22 22 TYR HA H 1 4.134 0.01 . . . . . . . 22 TYR HA . 51325 1 228 . 1 . 1 22 22 TYR HB2 H 1 3.120 0.01 . . . . . . . 22 TYR HB2 . 51325 1 229 . 1 . 1 22 22 TYR HB3 H 1 2.957 0.01 . . . . . . . 22 TYR HB3 . 51325 1 230 . 1 . 1 22 22 TYR HD1 H 1 6.968 0.00 . . . . . . . 22 TYR QD . 51325 1 231 . 1 . 1 22 22 TYR HD2 H 1 6.968 0.00 . . . . . . . 22 TYR QD . 51325 1 232 . 1 . 1 22 22 TYR HE1 H 1 6.824 0.00 . . . . . . . 22 TYR QE . 51325 1 233 . 1 . 1 22 22 TYR HE2 H 1 6.824 0.00 . . . . . . . 22 TYR QE . 51325 1 234 . 1 . 1 22 22 TYR C C 13 175.827 0.00 . . . . . . . 22 TYR C . 51325 1 235 . 1 . 1 22 22 TYR CA C 13 62.281 0.15 . . . . . . . 22 TYR CA . 51325 1 236 . 1 . 1 22 22 TYR CB C 13 39.244 0.00 . . . . . . . 22 TYR CB . 51325 1 237 . 1 . 1 22 22 TYR N N 15 118.777 0.01 . . . . . . . 22 TYR N . 51325 1 238 . 1 . 1 23 23 GLU H H 1 8.562 0.00 . . . . . . . 23 GLU H . 51325 1 239 . 1 . 1 23 23 GLU HA H 1 3.649 0.01 . . . . . . . 23 GLU HA . 51325 1 240 . 1 . 1 23 23 GLU HB2 H 1 2.123 0.01 . . . . . . . 23 GLU HB2 . 51325 1 241 . 1 . 1 23 23 GLU HB3 H 1 2.023 0.02 . . . . . . . 23 GLU HB3 . 51325 1 242 . 1 . 1 23 23 GLU HG2 H 1 2.658 0.02 . . . . . . . 23 GLU HG2 . 51325 1 243 . 1 . 1 23 23 GLU HG3 H 1 2.410 0.05 . . . . . . . 23 GLU HG3 . 51325 1 244 . 1 . 1 23 23 GLU C C 13 180.752 0.00 . . . . . . . 23 GLU C . 51325 1 245 . 1 . 1 23 23 GLU CA C 13 59.687 0.12 . . . . . . . 23 GLU CA . 51325 1 246 . 1 . 1 23 23 GLU CB C 13 28.883 0.23 . . . . . . . 23 GLU CB . 51325 1 247 . 1 . 1 23 23 GLU CG C 13 36.780 0.14 . . . . . . . 23 GLU CG . 51325 1 248 . 1 . 1 23 23 GLU N N 15 117.432 0.02 . . . . . . . 23 GLU N . 51325 1 249 . 1 . 1 24 24 GLN H H 1 8.553 0.00 . . . . . . . 24 GLN H . 51325 1 250 . 1 . 1 24 24 GLN HA H 1 4.022 0.02 . . . . . . . 24 GLN HA . 51325 1 251 . 1 . 1 24 24 GLN HB2 H 1 2.089 0.02 . . . . . . . 24 GLN HB2 . 51325 1 252 . 1 . 1 24 24 GLN HB3 H 1 2.015 0.00 . . . . . . . 24 GLN HB3 . 51325 1 253 . 1 . 1 24 24 GLN HG2 H 1 2.455 0.03 . . . . . . . 24 GLN HG2 . 51325 1 254 . 1 . 1 24 24 GLN HG3 H 1 2.394 0.00 . . . . . . . 24 GLN HG3 . 51325 1 255 . 1 . 1 24 24 GLN C C 13 177.383 0.01 . . . . . . . 24 GLN C . 51325 1 256 . 1 . 1 24 24 GLN CA C 13 58.524 0.12 . . . . . . . 24 GLN CA . 51325 1 257 . 1 . 1 24 24 GLN CB C 13 28.290 0.20 . . . . . . . 24 GLN CB . 51325 1 258 . 1 . 1 24 24 GLN CG C 13 34.021 0.23 . . . . . . . 24 GLN CG . 51325 1 259 . 1 . 1 24 24 GLN N N 15 119.482 0.01 . . . . . . . 24 GLN N . 51325 1 260 . 1 . 1 25 25 ALA H H 1 7.509 0.00 . . . . . . . 25 ALA H . 51325 1 261 . 1 . 1 25 25 ALA HA H 1 4.218 0.01 . . . . . . . 25 ALA HA . 51325 1 262 . 1 . 1 25 25 ALA HB1 H 1 1.386 0.01 . . . . . . . 25 ALA HB# . 51325 1 263 . 1 . 1 25 25 ALA HB2 H 1 1.386 0.01 . . . . . . . 25 ALA HB# . 51325 1 264 . 1 . 1 25 25 ALA HB3 H 1 1.386 0.01 . . . . . . . 25 ALA HB# . 51325 1 265 . 1 . 1 25 25 ALA C C 13 180.496 0.01 . . . . . . . 25 ALA C . 51325 1 266 . 1 . 1 25 25 ALA CA C 13 55.088 0.11 . . . . . . . 25 ALA CA . 51325 1 267 . 1 . 1 25 25 ALA CB C 13 20.008 0.11 . . . . . . . 25 ALA CB . 51325 1 268 . 1 . 1 25 25 ALA N N 15 123.560 0.03 . . . . . . . 25 ALA N . 51325 1 269 . 1 . 1 26 26 VAL H H 1 7.995 0.01 . . . . . . . 26 VAL H . 51325 1 270 . 1 . 1 26 26 VAL HA H 1 3.437 0.03 . . . . . . . 26 VAL HA . 51325 1 271 . 1 . 1 26 26 VAL HB H 1 1.862 0.02 . . . . . . . 26 VAL HB . 51325 1 272 . 1 . 1 26 26 VAL HG11 H 1 0.829 0.02 . . . . . . . 26 VAL QG1 . 51325 1 273 . 1 . 1 26 26 VAL HG12 H 1 0.829 0.02 . . . . . . . 26 VAL QG1 . 51325 1 274 . 1 . 1 26 26 VAL HG13 H 1 0.829 0.02 . . . . . . . 26 VAL QG1 . 51325 1 275 . 1 . 1 26 26 VAL HG21 H 1 0.493 0.02 . . . . . . . 26 VAL QG2 . 51325 1 276 . 1 . 1 26 26 VAL HG22 H 1 0.493 0.02 . . . . . . . 26 VAL QG2 . 51325 1 277 . 1 . 1 26 26 VAL HG23 H 1 0.493 0.02 . . . . . . . 26 VAL QG2 . 51325 1 278 . 1 . 1 26 26 VAL C C 13 180.785 0.00 . . . . . . . 26 VAL C . 51325 1 279 . 1 . 1 26 26 VAL CA C 13 66.299 0.15 . . . . . . . 26 VAL CA . 51325 1 280 . 1 . 1 26 26 VAL CB C 13 31.786 0.16 . . . . . . . 26 VAL CB . 51325 1 281 . 1 . 1 26 26 VAL CG1 C 13 20.660 0.08 . . . . . . . 26 VAL CG1 . 51325 1 282 . 1 . 1 26 26 VAL CG2 C 13 22.726 0.15 . . . . . . . 26 VAL CG2 . 51325 1 283 . 1 . 1 26 26 VAL N N 15 119.139 0.02 . . . . . . . 26 VAL N . 51325 1 284 . 1 . 1 27 27 ALA H H 1 7.928 0.00 . . . . . . . 27 ALA H . 51325 1 285 . 1 . 1 27 27 ALA HA H 1 4.044 0.01 . . . . . . . 27 ALA HA . 51325 1 286 . 1 . 1 27 27 ALA HB1 H 1 1.442 0.01 . . . . . . . 27 ALA HB# . 51325 1 287 . 1 . 1 27 27 ALA HB2 H 1 1.442 0.01 . . . . . . . 27 ALA HB# . 51325 1 288 . 1 . 1 27 27 ALA HB3 H 1 1.442 0.01 . . . . . . . 27 ALA HB# . 51325 1 289 . 1 . 1 27 27 ALA C C 13 179.577 0.02 . . . . . . . 27 ALA C . 51325 1 290 . 1 . 1 27 27 ALA CA C 13 54.957 0.16 . . . . . . . 27 ALA CA . 51325 1 291 . 1 . 1 27 27 ALA CB C 13 17.936 0.23 . . . . . . . 27 ALA CB . 51325 1 292 . 1 . 1 27 27 ALA N N 15 123.231 0.04 . . . . . . . 27 ALA N . 51325 1 293 . 1 . 1 28 28 ASN H H 1 8.277 0.01 . . . . . . . 28 ASN H . 51325 1 294 . 1 . 1 28 28 ASN HA H 1 4.588 0.01 . . . . . . . 28 ASN HA . 51325 1 295 . 1 . 1 28 28 ASN HB2 H 1 2.853 0.01 . . . . . . . 28 ASN HB2 . 51325 1 296 . 1 . 1 28 28 ASN HB3 H 1 2.813 0.02 . . . . . . . 28 ASN HB3 . 51325 1 297 . 1 . 1 28 28 ASN HD21 H 1 6.930 0.02 . . . . . . . 28 ASN HD21 . 51325 1 298 . 1 . 1 28 28 ASN HD22 H 1 7.972 0.00 . . . . . . . 28 ASN HD22 . 51325 1 299 . 1 . 1 28 28 ASN C C 13 176.399 0.01 . . . . . . . 28 ASN C . 51325 1 300 . 1 . 1 28 28 ASN CA C 13 53.233 0.13 . . . . . . . 28 ASN CA . 51325 1 301 . 1 . 1 28 28 ASN CB C 13 38.791 0.19 . . . . . . . 28 ASN CB . 51325 1 302 . 1 . 1 28 28 ASN N N 15 114.651 0.01 . . . . . . . 28 ASN N . 51325 1 303 . 1 . 1 29 29 GLY H H 1 7.882 0.00 . . . . . . . 29 GLY H . 51325 1 304 . 1 . 1 29 29 GLY HA2 H 1 3.926 0.01 . . . . . . . 29 GLY HA2 . 51325 1 305 . 1 . 1 29 29 GLY HA3 H 1 3.887 0.01 . . . . . . . 29 GLY HA3 . 51325 1 306 . 1 . 1 29 29 GLY C C 13 175.205 0.00 . . . . . . . 29 GLY C . 51325 1 307 . 1 . 1 29 29 GLY CA C 13 46.479 0.18 . . . . . . . 29 GLY CA . 51325 1 308 . 1 . 1 29 29 GLY N N 15 109.188 0.03 . . . . . . . 29 GLY N . 51325 1 309 . 1 . 1 30 30 ASP H H 1 7.764 0.00 . . . . . . . 30 ASP H . 51325 1 310 . 1 . 1 30 30 ASP HA H 1 4.522 0.01 . . . . . . . 30 ASP HA . 51325 1 311 . 1 . 1 30 30 ASP HB2 H 1 2.564 0.01 . . . . . . . 30 ASP HB2 . 51325 1 312 . 1 . 1 30 30 ASP HB3 H 1 2.394 0.01 . . . . . . . 30 ASP HB3 . 51325 1 313 . 1 . 1 30 30 ASP C C 13 174.911 0.01 . . . . . . . 30 ASP C . 51325 1 314 . 1 . 1 30 30 ASP CA C 13 55.240 0.13 . . . . . . . 30 ASP CA . 51325 1 315 . 1 . 1 30 30 ASP CB C 13 41.424 0.17 . . . . . . . 30 ASP CB . 51325 1 316 . 1 . 1 30 30 ASP N N 15 119.382 0.05 . . . . . . . 30 ASP N . 51325 1 317 . 1 . 1 31 31 SER H H 1 8.655 0.00 . . . . . . . 31 SER H . 51325 1 318 . 1 . 1 31 31 SER HA H 1 4.322 0.01 . . . . . . . 31 SER HA . 51325 1 319 . 1 . 1 31 31 SER HB2 H 1 4.313 0.01 . . . . . . . 31 SER HB2 . 51325 1 320 . 1 . 1 31 31 SER HB3 H 1 4.038 0.01 . . . . . . . 31 SER HB3 . 51325 1 321 . 1 . 1 31 31 SER C C 13 174.692 0.00 . . . . . . . 31 SER C . 51325 1 322 . 1 . 1 31 31 SER CA C 13 57.893 0.13 . . . . . . . 31 SER CA . 51325 1 323 . 1 . 1 31 31 SER CB C 13 64.964 0.17 . . . . . . . 31 SER CB . 51325 1 324 . 1 . 1 31 31 SER N N 15 113.224 0.01 . . . . . . . 31 SER N . 51325 1 325 . 1 . 1 32 32 GLU H H 1 8.974 0.01 . . . . . . . 32 GLU H . 51325 1 326 . 1 . 1 32 32 GLU HA H 1 4.046 0.01 . . . . . . . 32 GLU HA . 51325 1 327 . 1 . 1 32 32 GLU HB2 H 1 2.150 0.01 . . . . . . . 32 GLU HB2 . 51325 1 328 . 1 . 1 32 32 GLU HB3 H 1 2.098 0.01 . . . . . . . 32 GLU HB3 . 51325 1 329 . 1 . 1 32 32 GLU HG2 H 1 2.412 0.01 . . . . . . . 32 GLU HG2 . 51325 1 330 . 1 . 1 32 32 GLU HG3 H 1 2.349 0.02 . . . . . . . 32 GLU HG3 . 51325 1 331 . 1 . 1 32 32 GLU C C 13 178.497 0.01 . . . . . . . 32 GLU C . 51325 1 332 . 1 . 1 32 32 GLU CA C 13 59.763 0.20 . . . . . . . 32 GLU CA . 51325 1 333 . 1 . 1 32 32 GLU CB C 13 29.427 0.20 . . . . . . . 32 GLU CB . 51325 1 334 . 1 . 1 32 32 GLU CG C 13 35.986 0.19 . . . . . . . 32 GLU CG . 51325 1 335 . 1 . 1 32 32 GLU N N 15 121.300 0.03 . . . . . . . 32 GLU N . 51325 1 336 . 1 . 1 33 33 VAL H H 1 7.916 0.00 . . . . . . . 33 VAL H . 51325 1 337 . 1 . 1 33 33 VAL HA H 1 3.752 0.01 . . . . . . . 33 VAL HA . 51325 1 338 . 1 . 1 33 33 VAL HB H 1 2.028 0.01 . . . . . . . 33 VAL HB . 51325 1 339 . 1 . 1 33 33 VAL HG11 H 1 1.087 0.01 . . . . . . . 33 VAL QG1 . 51325 1 340 . 1 . 1 33 33 VAL HG12 H 1 1.087 0.01 . . . . . . . 33 VAL QG1 . 51325 1 341 . 1 . 1 33 33 VAL HG13 H 1 1.087 0.01 . . . . . . . 33 VAL QG1 . 51325 1 342 . 1 . 1 33 33 VAL HG21 H 1 1.032 0.02 . . . . . . . 33 VAL QG2 . 51325 1 343 . 1 . 1 33 33 VAL HG22 H 1 1.032 0.02 . . . . . . . 33 VAL QG2 . 51325 1 344 . 1 . 1 33 33 VAL HG23 H 1 1.032 0.02 . . . . . . . 33 VAL QG2 . 51325 1 345 . 1 . 1 33 33 VAL C C 13 178.824 0.00 . . . . . . . 33 VAL C . 51325 1 346 . 1 . 1 33 33 VAL CA C 13 66.135 0.11 . . . . . . . 33 VAL CA . 51325 1 347 . 1 . 1 33 33 VAL CB C 13 32.220 0.07 . . . . . . . 33 VAL CB . 51325 1 348 . 1 . 1 33 33 VAL CG1 C 13 20.925 0.05 . . . . . . . 33 VAL CG1 . 51325 1 349 . 1 . 1 33 33 VAL CG2 C 13 22.599 0.13 . . . . . . . 33 VAL CG2 . 51325 1 350 . 1 . 1 33 33 VAL N N 15 117.410 0.02 . . . . . . . 33 VAL N . 51325 1 351 . 1 . 1 34 34 VAL H H 1 7.293 0.00 . . . . . . . 34 VAL H . 51325 1 352 . 1 . 1 34 34 VAL HA H 1 3.684 0.01 . . . . . . . 34 VAL HA . 51325 1 353 . 1 . 1 34 34 VAL HB H 1 2.274 0.02 . . . . . . . 34 VAL HB . 51325 1 354 . 1 . 1 34 34 VAL HG11 H 1 1.017 0.02 . . . . . . . 34 VAL QG1 . 51325 1 355 . 1 . 1 34 34 VAL HG12 H 1 1.017 0.02 . . . . . . . 34 VAL QG1 . 51325 1 356 . 1 . 1 34 34 VAL HG13 H 1 1.017 0.02 . . . . . . . 34 VAL QG1 . 51325 1 357 . 1 . 1 34 34 VAL HG21 H 1 1.035 0.00 . . . . . . . 34 VAL QG2 . 51325 1 358 . 1 . 1 34 34 VAL HG22 H 1 1.035 0.00 . . . . . . . 34 VAL QG2 . 51325 1 359 . 1 . 1 34 34 VAL HG23 H 1 1.035 0.00 . . . . . . . 34 VAL QG2 . 51325 1 360 . 1 . 1 34 34 VAL C C 13 178.550 0.01 . . . . . . . 34 VAL C . 51325 1 361 . 1 . 1 34 34 VAL CA C 13 66.358 0.13 . . . . . . . 34 VAL CA . 51325 1 362 . 1 . 1 34 34 VAL CB C 13 31.920 0.15 . . . . . . . 34 VAL CB . 51325 1 363 . 1 . 1 34 34 VAL CG1 C 13 21.110 0.00 . . . . . . . 34 VAL CG1 . 51325 1 364 . 1 . 1 34 34 VAL CG2 C 13 23.312 0.00 . . . . . . . 34 VAL CG2 . 51325 1 365 . 1 . 1 34 34 VAL N N 15 123.249 0.01 . . . . . . . 34 VAL N . 51325 1 366 . 1 . 1 35 35 LEU H H 1 8.695 0.01 . . . . . . . 35 LEU H . 51325 1 367 . 1 . 1 35 35 LEU HA H 1 3.982 0.02 . . . . . . . 35 LEU HA . 51325 1 368 . 1 . 1 35 35 LEU HB2 H 1 1.974 0.02 . . . . . . . 35 LEU HB2 . 51325 1 369 . 1 . 1 35 35 LEU HB3 H 1 1.932 0.01 . . . . . . . 35 LEU HB3 . 51325 1 370 . 1 . 1 35 35 LEU HG H 1 1.666 0.01 . . . . . . . 35 LEU HG . 51325 1 371 . 1 . 1 35 35 LEU HD11 H 1 0.855 0.02 . . . . . . . 35 LEU QD1 . 51325 1 372 . 1 . 1 35 35 LEU HD12 H 1 0.855 0.02 . . . . . . . 35 LEU QD1 . 51325 1 373 . 1 . 1 35 35 LEU HD13 H 1 0.855 0.02 . . . . . . . 35 LEU QD1 . 51325 1 374 . 1 . 1 35 35 LEU HD21 H 1 0.602 0.02 . . . . . . . 35 LEU QD2 . 51325 1 375 . 1 . 1 35 35 LEU HD22 H 1 0.602 0.02 . . . . . . . 35 LEU QD2 . 51325 1 376 . 1 . 1 35 35 LEU HD23 H 1 0.602 0.02 . . . . . . . 35 LEU QD2 . 51325 1 377 . 1 . 1 35 35 LEU C C 13 179.690 0.00 . . . . . . . 35 LEU C . 51325 1 378 . 1 . 1 35 35 LEU CA C 13 58.778 0.12 . . . . . . . 35 LEU CA . 51325 1 379 . 1 . 1 35 35 LEU CB C 13 41.219 0.19 . . . . . . . 35 LEU CB . 51325 1 380 . 1 . 1 35 35 LEU CG C 13 26.462 0.00 . . . . . . . 35 LEU CG . 51325 1 381 . 1 . 1 35 35 LEU CD1 C 13 24.589 0.00 . . . . . . . 35 LEU CD1 . 51325 1 382 . 1 . 1 35 35 LEU CD2 C 13 23.912 0.20 . . . . . . . 35 LEU CD2 . 51325 1 383 . 1 . 1 35 35 LEU N N 15 119.058 0.05 . . . . . . . 35 LEU N . 51325 1 384 . 1 . 1 36 36 LYS H H 1 8.557 0.00 . . . . . . . 36 LYS H . 51325 1 385 . 1 . 1 36 36 LYS HA H 1 4.043 0.01 . . . . . . . 36 LYS HA . 51325 1 386 . 1 . 1 36 36 LYS HB2 H 1 1.963 0.00 . . . . . . . 36 LYS HB2 . 51325 1 387 . 1 . 1 36 36 LYS HB3 H 1 1.901 0.01 . . . . . . . 36 LYS HB3 . 51325 1 388 . 1 . 1 36 36 LYS HG2 H 1 1.527 0.02 . . . . . . . 36 LYS HG2 . 51325 1 389 . 1 . 1 36 36 LYS HG3 H 1 1.483 0.00 . . . . . . . 36 LYS HG3 . 51325 1 390 . 1 . 1 36 36 LYS HD2 H 1 1.764 0.02 . . . . . . . 36 LYS HD2 . 51325 1 391 . 1 . 1 36 36 LYS HD3 H 1 1.702 0.01 . . . . . . . 36 LYS HD3 . 51325 1 392 . 1 . 1 36 36 LYS HE2 H 1 2.988 0.01 . . . . . . . 36 LYS QE . 51325 1 393 . 1 . 1 36 36 LYS HE3 H 1 2.988 0.01 . . . . . . . 36 LYS QE . 51325 1 394 . 1 . 1 36 36 LYS C C 13 180.092 0.01 . . . . . . . 36 LYS C . 51325 1 395 . 1 . 1 36 36 LYS CA C 13 60.224 0.19 . . . . . . . 36 LYS CA . 51325 1 396 . 1 . 1 36 36 LYS CB C 13 32.601 0.24 . . . . . . . 36 LYS CB . 51325 1 397 . 1 . 1 36 36 LYS CG C 13 25.874 0.26 . . . . . . . 36 LYS CG . 51325 1 398 . 1 . 1 36 36 LYS CD C 13 30.066 0.11 . . . . . . . 36 LYS CD . 51325 1 399 . 1 . 1 36 36 LYS CE C 13 42.457 0.04 . . . . . . . 36 LYS CE . 51325 1 400 . 1 . 1 36 36 LYS N N 15 117.906 0.02 . . . . . . . 36 LYS N . 51325 1 401 . 1 . 1 37 37 LYS H H 1 7.390 0.00 . . . . . . . 37 LYS H . 51325 1 402 . 1 . 1 37 37 LYS HA H 1 4.146 0.01 . . . . . . . 37 LYS HA . 51325 1 403 . 1 . 1 37 37 LYS HB2 H 1 2.086 0.01 . . . . . . . 37 LYS HB2 . 51325 1 404 . 1 . 1 37 37 LYS HB3 H 1 2.042 0.01 . . . . . . . 37 LYS HB3 . 51325 1 405 . 1 . 1 37 37 LYS HG2 H 1 1.457 0.01 . . . . . . . 37 LYS QG . 51325 1 406 . 1 . 1 37 37 LYS HG3 H 1 1.457 0.01 . . . . . . . 37 LYS QG . 51325 1 407 . 1 . 1 37 37 LYS HD2 H 1 1.703 0.01 . . . . . . . 37 LYS QD . 51325 1 408 . 1 . 1 37 37 LYS HD3 H 1 1.703 0.01 . . . . . . . 37 LYS QD . 51325 1 409 . 1 . 1 37 37 LYS HE2 H 1 2.981 0.00 . . . . . . . 37 LYS QE . 51325 1 410 . 1 . 1 37 37 LYS HE3 H 1 2.981 0.00 . . . . . . . 37 LYS QE . 51325 1 411 . 1 . 1 37 37 LYS C C 13 179.732 0.01 . . . . . . . 37 LYS C . 51325 1 412 . 1 . 1 37 37 LYS CA C 13 59.819 0.08 . . . . . . . 37 LYS CA . 51325 1 413 . 1 . 1 37 37 LYS CB C 13 32.171 0.34 . . . . . . . 37 LYS CB . 51325 1 414 . 1 . 1 37 37 LYS CG C 13 25.291 0.00 . . . . . . . 37 LYS CG . 51325 1 415 . 1 . 1 37 37 LYS CD C 13 29.987 0.00 . . . . . . . 37 LYS CD . 51325 1 416 . 1 . 1 37 37 LYS CE C 13 42.493 0.13 . . . . . . . 37 LYS CE . 51325 1 417 . 1 . 1 37 37 LYS N N 15 120.895 0.03 . . . . . . . 37 LYS N . 51325 1 418 . 1 . 1 38 38 LEU H H 1 8.587 0.00 . . . . . . . 38 LEU H . 51325 1 419 . 1 . 1 38 38 LEU HA H 1 4.233 0.01 . . . . . . . 38 LEU HA . 51325 1 420 . 1 . 1 38 38 LEU HB2 H 1 2.160 0.02 . . . . . . . 38 LEU HB2 . 51325 1 421 . 1 . 1 38 38 LEU HB3 H 1 1.683 0.02 . . . . . . . 38 LEU HB3 . 51325 1 422 . 1 . 1 38 38 LEU HG H 1 2.013 0.00 . . . . . . . 38 LEU HG . 51325 1 423 . 1 . 1 38 38 LEU HD11 H 1 0.929 0.00 . . . . . . . 38 LEU QD1 . 51325 1 424 . 1 . 1 38 38 LEU HD12 H 1 0.929 0.00 . . . . . . . 38 LEU QD1 . 51325 1 425 . 1 . 1 38 38 LEU HD13 H 1 0.929 0.00 . . . . . . . 38 LEU QD1 . 51325 1 426 . 1 . 1 38 38 LEU HD21 H 1 0.883 0.03 . . . . . . . 38 LEU QD2 . 51325 1 427 . 1 . 1 38 38 LEU HD22 H 1 0.883 0.03 . . . . . . . 38 LEU QD2 . 51325 1 428 . 1 . 1 38 38 LEU HD23 H 1 0.883 0.03 . . . . . . . 38 LEU QD2 . 51325 1 429 . 1 . 1 38 38 LEU C C 13 181.039 0.01 . . . . . . . 38 LEU C . 51325 1 430 . 1 . 1 38 38 LEU CA C 13 57.539 0.13 . . . . . . . 38 LEU CA . 51325 1 431 . 1 . 1 38 38 LEU CB C 13 42.696 0.13 . . . . . . . 38 LEU CB . 51325 1 432 . 1 . 1 38 38 LEU CG C 13 28.102 0.02 . . . . . . . 38 LEU CG . 51325 1 433 . 1 . 1 38 38 LEU CD2 C 13 22.739 0.13 . . . . . . . 38 LEU CD2 . 51325 1 434 . 1 . 1 38 38 LEU N N 15 119.969 0.03 . . . . . . . 38 LEU N . 51325 1 435 . 1 . 1 39 39 LYS H H 1 9.298 0.00 . . . . . . . 39 LYS H . 51325 1 436 . 1 . 1 39 39 LYS HA H 1 3.549 0.01 . . . . . . . 39 LYS HA . 51325 1 437 . 1 . 1 39 39 LYS HB2 H 1 1.923 0.01 . . . . . . . 39 LYS HB2 . 51325 1 438 . 1 . 1 39 39 LYS HB3 H 1 1.900 0.00 . . . . . . . 39 LYS HB3 . 51325 1 439 . 1 . 1 39 39 LYS HG2 H 1 1.124 0.01 . . . . . . . 39 LYS HG2 . 51325 1 440 . 1 . 1 39 39 LYS HG3 H 1 1.149 0.00 . . . . . . . 39 LYS HG3 . 51325 1 441 . 1 . 1 39 39 LYS HD2 H 1 1.498 0.01 . . . . . . . 39 LYS HD2 . 51325 1 442 . 1 . 1 39 39 LYS HD3 H 1 1.324 0.02 . . . . . . . 39 LYS HD3 . 51325 1 443 . 1 . 1 39 39 LYS HE2 H 1 2.854 0.00 . . . . . . . 39 LYS QE . 51325 1 444 . 1 . 1 39 39 LYS HE3 H 1 2.854 0.00 . . . . . . . 39 LYS QE . 51325 1 445 . 1 . 1 39 39 LYS C C 13 177.998 0.01 . . . . . . . 39 LYS C . 51325 1 446 . 1 . 1 39 39 LYS CA C 13 58.882 0.12 . . . . . . . 39 LYS CA . 51325 1 447 . 1 . 1 39 39 LYS CB C 13 31.973 0.14 . . . . . . . 39 LYS CB . 51325 1 448 . 1 . 1 39 39 LYS CG C 13 24.733 0.10 . . . . . . . 39 LYS CG . 51325 1 449 . 1 . 1 39 39 LYS CD C 13 28.550 0.19 . . . . . . . 39 LYS CD . 51325 1 450 . 1 . 1 39 39 LYS CE C 13 42.329 0.00 . . . . . . . 39 LYS CE . 51325 1 451 . 1 . 1 39 39 LYS N N 15 124.343 0.04 . . . . . . . 39 LYS N . 51325 1 452 . 1 . 1 40 40 LYS H H 1 7.767 0.00 . . . . . . . 40 LYS H . 51325 1 453 . 1 . 1 40 40 LYS HA H 1 4.150 0.00 . . . . . . . 40 LYS HA . 51325 1 454 . 1 . 1 40 40 LYS HB2 H 1 2.000 0.00 . . . . . . . 40 LYS QB . 51325 1 455 . 1 . 1 40 40 LYS HB3 H 1 2.000 0.00 . . . . . . . 40 LYS QB . 51325 1 456 . 1 . 1 40 40 LYS HG2 H 1 1.555 0.01 . . . . . . . 40 LYS QG . 51325 1 457 . 1 . 1 40 40 LYS HG3 H 1 1.555 0.01 . . . . . . . 40 LYS QG . 51325 1 458 . 1 . 1 40 40 LYS HD2 H 1 1.749 0.00 . . . . . . . 40 LYS QD . 51325 1 459 . 1 . 1 40 40 LYS HD3 H 1 1.749 0.00 . . . . . . . 40 LYS QD . 51325 1 460 . 1 . 1 40 40 LYS C C 13 179.177 0.00 . . . . . . . 40 LYS C . 51325 1 461 . 1 . 1 40 40 LYS CA C 13 60.022 0.06 . . . . . . . 40 LYS CA . 51325 1 462 . 1 . 1 40 40 LYS CB C 13 32.072 0.14 . . . . . . . 40 LYS CB . 51325 1 463 . 1 . 1 40 40 LYS CG C 13 25.305 0.00 . . . . . . . 40 LYS CG . 51325 1 464 . 1 . 1 40 40 LYS CD C 13 29.450 0.00 . . . . . . . 40 LYS CD . 51325 1 465 . 1 . 1 40 40 LYS CE C 13 42.684 0.00 . . . . . . . 40 LYS CE . 51325 1 466 . 1 . 1 40 40 LYS N N 15 120.607 0.03 . . . . . . . 40 LYS N . 51325 1 467 . 1 . 1 41 41 SER H H 1 8.033 0.00 . . . . . . . 41 SER H . 51325 1 468 . 1 . 1 41 41 SER HA H 1 4.245 0.00 . . . . . . . 41 SER HA . 51325 1 469 . 1 . 1 41 41 SER HB2 H 1 3.978 0.00 . . . . . . . 41 SER QB . 51325 1 470 . 1 . 1 41 41 SER HB3 H 1 3.978 0.00 . . . . . . . 41 SER QB . 51325 1 471 . 1 . 1 41 41 SER C C 13 177.375 0.00 . . . . . . . 41 SER C . 51325 1 472 . 1 . 1 41 41 SER CA C 13 62.179 0.08 . . . . . . . 41 SER CA . 51325 1 473 . 1 . 1 41 41 SER CB C 13 62.969 0.09 . . . . . . . 41 SER CB . 51325 1 474 . 1 . 1 41 41 SER N N 15 114.058 0.04 . . . . . . . 41 SER N . 51325 1 475 . 1 . 1 42 42 LEU H H 1 8.075 0.00 . . . . . . . 42 LEU H . 51325 1 476 . 1 . 1 42 42 LEU HA H 1 4.101 0.02 . . . . . . . 42 LEU HA . 51325 1 477 . 1 . 1 42 42 LEU HB2 H 1 2.098 0.02 . . . . . . . 42 LEU HB2 . 51325 1 478 . 1 . 1 42 42 LEU HB3 H 1 1.229 0.01 . . . . . . . 42 LEU HB3 . 51325 1 479 . 1 . 1 42 42 LEU HG H 1 1.630 0.01 . . . . . . . 42 LEU HG . 51325 1 480 . 1 . 1 42 42 LEU HD11 H 1 1.000 0.01 . . . . . . . 42 LEU QD1 . 51325 1 481 . 1 . 1 42 42 LEU HD12 H 1 1.000 0.01 . . . . . . . 42 LEU QD1 . 51325 1 482 . 1 . 1 42 42 LEU HD13 H 1 1.000 0.01 . . . . . . . 42 LEU QD1 . 51325 1 483 . 1 . 1 42 42 LEU HD21 H 1 0.793 0.00 . . . . . . . 42 LEU QD2 . 51325 1 484 . 1 . 1 42 42 LEU HD22 H 1 0.793 0.00 . . . . . . . 42 LEU QD2 . 51325 1 485 . 1 . 1 42 42 LEU HD23 H 1 0.793 0.00 . . . . . . . 42 LEU QD2 . 51325 1 486 . 1 . 1 42 42 LEU C C 13 176.848 0.00 . . . . . . . 42 LEU C . 51325 1 487 . 1 . 1 42 42 LEU CA C 13 58.455 0.05 . . . . . . . 42 LEU CA . 51325 1 488 . 1 . 1 42 42 LEU CB C 13 41.975 0.18 . . . . . . . 42 LEU CB . 51325 1 489 . 1 . 1 42 42 LEU CG C 13 26.541 0.00 . . . . . . . 42 LEU CG . 51325 1 490 . 1 . 1 42 42 LEU CD1 C 13 23.741 0.19 . . . . . . . 42 LEU CD1 . 51325 1 491 . 1 . 1 42 42 LEU N N 15 123.906 0.03 . . . . . . . 42 LEU N . 51325 1 492 . 1 . 1 43 43 ASN H H 1 8.595 0.00 . . . . . . . 43 ASN H . 51325 1 493 . 1 . 1 43 43 ASN HA H 1 4.440 0.01 . . . . . . . 43 ASN HA . 51325 1 494 . 1 . 1 43 43 ASN HB2 H 1 3.010 0.02 . . . . . . . 43 ASN HB2 . 51325 1 495 . 1 . 1 43 43 ASN HB3 H 1 2.874 0.01 . . . . . . . 43 ASN HB3 . 51325 1 496 . 1 . 1 43 43 ASN HD21 H 1 7.628 0.00 . . . . . . . 43 ASN HD21 . 51325 1 497 . 1 . 1 43 43 ASN HD22 H 1 6.889 0.00 . . . . . . . 43 ASN HD22 . 51325 1 498 . 1 . 1 43 43 ASN C C 13 179.269 0.02 . . . . . . . 43 ASN C . 51325 1 499 . 1 . 1 43 43 ASN CA C 13 56.393 0.10 . . . . . . . 43 ASN CA . 51325 1 500 . 1 . 1 43 43 ASN CB C 13 37.721 0.16 . . . . . . . 43 ASN CB . 51325 1 501 . 1 . 1 43 43 ASN N N 15 119.274 0.02 . . . . . . . 43 ASN N . 51325 1 502 . 1 . 1 44 44 VAL H H 1 8.280 0.00 . . . . . . . 44 VAL H . 51325 1 503 . 1 . 1 44 44 VAL HA H 1 3.776 0.01 . . . . . . . 44 VAL HA . 51325 1 504 . 1 . 1 44 44 VAL HB H 1 2.151 0.00 . . . . . . . 44 VAL HB . 51325 1 505 . 1 . 1 44 44 VAL HG11 H 1 0.988 0.01 . . . . . . . 44 VAL QG1 . 51325 1 506 . 1 . 1 44 44 VAL HG12 H 1 0.988 0.01 . . . . . . . 44 VAL QG1 . 51325 1 507 . 1 . 1 44 44 VAL HG13 H 1 0.988 0.01 . . . . . . . 44 VAL QG1 . 51325 1 508 . 1 . 1 44 44 VAL HG21 H 1 1.134 0.00 . . . . . . . 44 VAL QG2 . 51325 1 509 . 1 . 1 44 44 VAL HG22 H 1 1.134 0.00 . . . . . . . 44 VAL QG2 . 51325 1 510 . 1 . 1 44 44 VAL HG23 H 1 1.134 0.00 . . . . . . . 44 VAL QG2 . 51325 1 511 . 1 . 1 44 44 VAL C C 13 178.586 0.02 . . . . . . . 44 VAL C . 51325 1 512 . 1 . 1 44 44 VAL CA C 13 66.569 0.14 . . . . . . . 44 VAL CA . 51325 1 513 . 1 . 1 44 44 VAL CB C 13 32.097 0.20 . . . . . . . 44 VAL CB . 51325 1 514 . 1 . 1 44 44 VAL N N 15 121.693 0.03 . . . . . . . 44 VAL N . 51325 1 515 . 1 . 1 45 45 ALA H H 1 8.117 0.01 . . . . . . . 45 ALA H . 51325 1 516 . 1 . 1 45 45 ALA HA H 1 4.239 0.01 . . . . . . . 45 ALA HA . 51325 1 517 . 1 . 1 45 45 ALA HB1 H 1 1.549 0.01 . . . . . . . 45 ALA HB# . 51325 1 518 . 1 . 1 45 45 ALA HB2 H 1 1.549 0.01 . . . . . . . 45 ALA HB# . 51325 1 519 . 1 . 1 45 45 ALA HB3 H 1 1.549 0.01 . . . . . . . 45 ALA HB# . 51325 1 520 . 1 . 1 45 45 ALA C C 13 181.862 0.00 . . . . . . . 45 ALA C . 51325 1 521 . 1 . 1 45 45 ALA CA C 13 55.125 0.16 . . . . . . . 45 ALA CA . 51325 1 522 . 1 . 1 45 45 ALA CB C 13 17.975 0.00 . . . . . . . 45 ALA CB . 51325 1 523 . 1 . 1 45 45 ALA N N 15 122.581 0.03 . . . . . . . 45 ALA N . 51325 1 524 . 1 . 1 46 46 LYS H H 1 9.563 0.00 . . . . . . . 46 LYS H . 51325 1 525 . 1 . 1 46 46 LYS HA H 1 3.430 0.01 . . . . . . . 46 LYS HA . 51325 1 526 . 1 . 1 46 46 LYS HB2 H 1 2.016 0.04 . . . . . . . 46 LYS HB2 . 51325 1 527 . 1 . 1 46 46 LYS HB3 H 1 1.823 0.02 . . . . . . . 46 LYS HB3 . 51325 1 528 . 1 . 1 46 46 LYS HG2 H 1 0.917 0.01 . . . . . . . 46 LYS HG2 . 51325 1 529 . 1 . 1 46 46 LYS HD2 H 1 1.373 0.02 . . . . . . . 46 LYS QD . 51325 1 530 . 1 . 1 46 46 LYS HD3 H 1 1.373 0.02 . . . . . . . 46 LYS QD . 51325 1 531 . 1 . 1 46 46 LYS HE2 H 1 3.006 0.01 . . . . . . . 46 LYS HE2 . 51325 1 532 . 1 . 1 46 46 LYS C C 13 178.540 0.88 . . . . . . . 46 LYS C . 51325 1 533 . 1 . 1 46 46 LYS CA C 13 59.552 0.29 . . . . . . . 46 LYS CA . 51325 1 534 . 1 . 1 46 46 LYS CB C 13 32.672 0.12 . . . . . . . 46 LYS CB . 51325 1 535 . 1 . 1 46 46 LYS CG C 13 25.059 0.13 . . . . . . . 46 LYS CG . 51325 1 536 . 1 . 1 46 46 LYS CD C 13 29.529 0.00 . . . . . . . 46 LYS CD . 51325 1 537 . 1 . 1 46 46 LYS CE C 13 42.843 0.00 . . . . . . . 46 LYS CE . 51325 1 538 . 1 . 1 46 46 LYS N N 15 121.662 0.03 . . . . . . . 46 LYS N . 51325 1 539 . 1 . 1 47 47 SER H H 1 8.035 0.00 . . . . . . . 47 SER H . 51325 1 540 . 1 . 1 47 47 SER HA H 1 4.263 0.01 . . . . . . . 47 SER HA . 51325 1 541 . 1 . 1 47 47 SER HB2 H 1 4.037 0.00 . . . . . . . 47 SER QB . 51325 1 542 . 1 . 1 47 47 SER HB3 H 1 4.037 0.00 . . . . . . . 47 SER QB . 51325 1 543 . 1 . 1 47 47 SER C C 13 177.589 0.00 . . . . . . . 47 SER C . 51325 1 544 . 1 . 1 47 47 SER CA C 13 61.983 0.10 . . . . . . . 47 SER CA . 51325 1 545 . 1 . 1 47 47 SER CB C 13 62.819 0.08 . . . . . . . 47 SER CB . 51325 1 546 . 1 . 1 47 47 SER N N 15 114.130 0.05 . . . . . . . 47 SER N . 51325 1 547 . 1 . 1 48 48 GLU H H 1 7.807 0.01 . . . . . . . 48 GLU H . 51325 1 548 . 1 . 1 48 48 GLU HA H 1 4.023 0.01 . . . . . . . 48 GLU HA . 51325 1 549 . 1 . 1 48 48 GLU HB2 H 1 2.200 0.08 . . . . . . . 48 GLU HB2 . 51325 1 550 . 1 . 1 48 48 GLU HB3 H 1 2.138 0.00 . . . . . . . 48 GLU HB3 . 51325 1 551 . 1 . 1 48 48 GLU HG2 H 1 2.496 0.01 . . . . . . . 48 GLU HG2 . 51325 1 552 . 1 . 1 48 48 GLU HG3 H 1 2.304 0.01 . . . . . . . 48 GLU HG3 . 51325 1 553 . 1 . 1 48 48 GLU C C 13 177.834 0.01 . . . . . . . 48 GLU C . 51325 1 554 . 1 . 1 48 48 GLU CA C 13 59.765 0.04 . . . . . . . 48 GLU CA . 51325 1 555 . 1 . 1 48 48 GLU CB C 13 29.564 0.09 . . . . . . . 48 GLU CB . 51325 1 556 . 1 . 1 48 48 GLU CG C 13 36.048 0.12 . . . . . . . 48 GLU CG . 51325 1 557 . 1 . 1 48 48 GLU N N 15 121.921 0.01 . . . . . . . 48 GLU N . 51325 1 558 . 1 . 1 49 49 PHE H H 1 7.832 0.00 . . . . . . . 49 PHE H . 51325 1 559 . 1 . 1 49 49 PHE HA H 1 4.802 0.07 . . . . . . . 49 PHE HA . 51325 1 560 . 1 . 1 49 49 PHE HB2 H 1 3.156 0.01 . . . . . . . 49 PHE HB2 . 51325 1 561 . 1 . 1 49 49 PHE HB3 H 1 2.769 0.01 . . . . . . . 49 PHE HB3 . 51325 1 562 . 1 . 1 49 49 PHE HD1 H 1 7.204 0.02 . . . . . . . 49 PHE QD . 51325 1 563 . 1 . 1 49 49 PHE HD2 H 1 7.204 0.02 . . . . . . . 49 PHE QD . 51325 1 564 . 1 . 1 49 49 PHE HE1 H 1 7.329 0.00 . . . . . . . 49 PHE QE . 51325 1 565 . 1 . 1 49 49 PHE HE2 H 1 7.329 0.00 . . . . . . . 49 PHE QE . 51325 1 566 . 1 . 1 49 49 PHE C C 13 176.557 0.02 . . . . . . . 49 PHE C . 51325 1 567 . 1 . 1 49 49 PHE CA C 13 60.143 0.14 . . . . . . . 49 PHE CA . 51325 1 568 . 1 . 1 49 49 PHE CB C 13 39.115 0.19 . . . . . . . 49 PHE CB . 51325 1 569 . 1 . 1 49 49 PHE N N 15 120.106 0.03 . . . . . . . 49 PHE N . 51325 1 570 . 1 . 1 50 50 ASP H H 1 9.112 0.00 . . . . . . . 50 ASP H . 51325 1 571 . 1 . 1 50 50 ASP HA H 1 3.853 0.01 . . . . . . . 50 ASP HA . 51325 1 572 . 1 . 1 50 50 ASP HB2 H 1 2.634 0.02 . . . . . . . 50 ASP HB2 . 51325 1 573 . 1 . 1 50 50 ASP HB3 H 1 2.436 0.01 . . . . . . . 50 ASP HB3 . 51325 1 574 . 1 . 1 50 50 ASP C C 13 180.120 0.00 . . . . . . . 50 ASP C . 51325 1 575 . 1 . 1 50 50 ASP CA C 13 57.224 0.16 . . . . . . . 50 ASP CA . 51325 1 576 . 1 . 1 50 50 ASP CB C 13 39.439 0.19 . . . . . . . 50 ASP CB . 51325 1 577 . 1 . 1 50 50 ASP N N 15 119.303 0.02 . . . . . . . 50 ASP N . 51325 1 578 . 1 . 1 51 51 ARG H H 1 7.738 0.01 . . . . . . . 51 ARG H . 51325 1 579 . 1 . 1 51 51 ARG HA H 1 4.016 0.02 . . . . . . . 51 ARG HA . 51325 1 580 . 1 . 1 51 51 ARG HB2 H 1 2.009 0.02 . . . . . . . 51 ARG QB . 51325 1 581 . 1 . 1 51 51 ARG HB3 H 1 2.009 0.02 . . . . . . . 51 ARG QB . 51325 1 582 . 1 . 1 51 51 ARG HG2 H 1 1.841 0.00 . . . . . . . 51 ARG HG2 . 51325 1 583 . 1 . 1 51 51 ARG HG3 H 1 1.487 0.00 . . . . . . . 51 ARG HG3 . 51325 1 584 . 1 . 1 51 51 ARG HD2 H 1 3.221 0.01 . . . . . . . 51 ARG QD . 51325 1 585 . 1 . 1 51 51 ARG HD3 H 1 3.221 0.01 . . . . . . . 51 ARG QD . 51325 1 586 . 1 . 1 51 51 ARG C C 13 179.015 0.00 . . . . . . . 51 ARG C . 51325 1 587 . 1 . 1 51 51 ARG CA C 13 59.420 0.11 . . . . . . . 51 ARG CA . 51325 1 588 . 1 . 1 51 51 ARG CB C 13 29.809 0.00 . . . . . . . 51 ARG CB . 51325 1 589 . 1 . 1 51 51 ARG CG C 13 27.215 0.00 . . . . . . . 51 ARG CG . 51325 1 590 . 1 . 1 51 51 ARG CD C 13 43.678 0.00 . . . . . . . 51 ARG CD . 51325 1 591 . 1 . 1 51 51 ARG N N 15 121.330 0.03 . . . . . . . 51 ARG N . 51325 1 592 . 1 . 1 52 52 ASP H H 1 8.049 0.01 . . . . . . . 52 ASP H . 51325 1 593 . 1 . 1 52 52 ASP HA H 1 4.420 0.01 . . . . . . . 52 ASP HA . 51325 1 594 . 1 . 1 52 52 ASP HB2 H 1 2.873 0.01 . . . . . . . 52 ASP HB2 . 51325 1 595 . 1 . 1 52 52 ASP HB3 H 1 2.718 0.01 . . . . . . . 52 ASP HB3 . 51325 1 596 . 1 . 1 52 52 ASP C C 13 179.324 0.00 . . . . . . . 52 ASP C . 51325 1 597 . 1 . 1 52 52 ASP CA C 13 57.155 0.21 . . . . . . . 52 ASP CA . 51325 1 598 . 1 . 1 52 52 ASP CB C 13 40.342 0.20 . . . . . . . 52 ASP CB . 51325 1 599 . 1 . 1 52 52 ASP N N 15 122.923 0.04 . . . . . . . 52 ASP N . 51325 1 600 . 1 . 1 53 53 ALA H H 1 9.069 0.01 . . . . . . . 53 ALA H . 51325 1 601 . 1 . 1 53 53 ALA HA H 1 3.515 0.01 . . . . . . . 53 ALA HA . 51325 1 602 . 1 . 1 53 53 ALA HB1 H 1 0.641 0.01 . . . . . . . 53 ALA HB# . 51325 1 603 . 1 . 1 53 53 ALA HB2 H 1 0.641 0.01 . . . . . . . 53 ALA HB# . 51325 1 604 . 1 . 1 53 53 ALA HB3 H 1 0.641 0.01 . . . . . . . 53 ALA HB# . 51325 1 605 . 1 . 1 53 53 ALA C C 13 179.493 0.01 . . . . . . . 53 ALA C . 51325 1 606 . 1 . 1 53 53 ALA CA C 13 55.005 0.16 . . . . . . . 53 ALA CA . 51325 1 607 . 1 . 1 53 53 ALA CB C 13 17.109 0.19 . . . . . . . 53 ALA CB . 51325 1 608 . 1 . 1 53 53 ALA N N 15 124.891 0.04 . . . . . . . 53 ALA N . 51325 1 609 . 1 . 1 54 54 ALA H H 1 7.750 0.01 . . . . . . . 54 ALA H . 51325 1 610 . 1 . 1 54 54 ALA HA H 1 4.031 0.02 . . . . . . . 54 ALA HA . 51325 1 611 . 1 . 1 54 54 ALA HB1 H 1 1.449 0.01 . . . . . . . 54 ALA HB# . 51325 1 612 . 1 . 1 54 54 ALA HB2 H 1 1.449 0.01 . . . . . . . 54 ALA HB# . 51325 1 613 . 1 . 1 54 54 ALA HB3 H 1 1.449 0.01 . . . . . . . 54 ALA HB# . 51325 1 614 . 1 . 1 54 54 ALA C C 13 181.118 0.00 . . . . . . . 54 ALA C . 51325 1 615 . 1 . 1 54 54 ALA CA C 13 54.935 0.18 . . . . . . . 54 ALA CA . 51325 1 616 . 1 . 1 54 54 ALA CB C 13 17.831 0.12 . . . . . . . 54 ALA CB . 51325 1 617 . 1 . 1 54 54 ALA N N 15 119.715 0.05 . . . . . . . 54 ALA N . 51325 1 618 . 1 . 1 55 55 MET H H 1 7.843 0.00 . . . . . . . 55 MET H . 51325 1 619 . 1 . 1 55 55 MET HA H 1 4.330 0.02 . . . . . . . 55 MET HA . 51325 1 620 . 1 . 1 55 55 MET HB2 H 1 2.253 0.00 . . . . . . . 55 MET QB . 51325 1 621 . 1 . 1 55 55 MET HB3 H 1 2.253 0.00 . . . . . . . 55 MET QB . 51325 1 622 . 1 . 1 55 55 MET HG2 H 1 2.678 0.01 . . . . . . . 55 MET HG2 . 51325 1 623 . 1 . 1 55 55 MET HG3 H 1 2.575 0.01 . . . . . . . 55 MET HG3 . 51325 1 624 . 1 . 1 55 55 MET CA C 13 58.039 0.00 . . . . . . . 55 MET CA . 51325 1 625 . 1 . 1 55 55 MET CB C 13 31.971 0.00 . . . . . . . 55 MET CB . 51325 1 626 . 1 . 1 55 55 MET CG C 13 31.969 0.01 . . . . . . . 55 MET CG . 51325 1 627 . 1 . 1 55 55 MET N N 15 118.614 0.02 . . . . . . . 55 MET N . 51325 1 628 . 1 . 1 56 56 GLN H H 1 8.075 0.01 . . . . . . . 56 GLN H . 51325 1 629 . 1 . 1 56 56 GLN N N 15 120.196 0.07 . . . . . . . 56 GLN N . 51325 1 630 . 1 . 1 59 59 LEU H H 1 8.071 0.00 . . . . . . . 59 LEU H . 51325 1 631 . 1 . 1 59 59 LEU HA H 1 4.258 0.00 . . . . . . . 59 LEU HA . 51325 1 632 . 1 . 1 60 60 GLU H H 1 8.277 0.00 . . . . . . . 60 GLU H . 51325 1 633 . 1 . 1 60 60 GLU HA H 1 4.173 0.05 . . . . . . . 60 GLU HA . 51325 1 634 . 1 . 1 60 60 GLU HB2 H 1 2.204 0.07 . . . . . . . 60 GLU HB2 . 51325 1 635 . 1 . 1 60 60 GLU HB3 H 1 2.090 0.03 . . . . . . . 60 GLU HB3 . 51325 1 636 . 1 . 1 60 60 GLU HG2 H 1 2.517 0.02 . . . . . . . 60 GLU HG2 . 51325 1 637 . 1 . 1 60 60 GLU HG3 H 1 2.322 0.04 . . . . . . . 60 GLU HG3 . 51325 1 638 . 1 . 1 60 60 GLU CA C 13 57.939 0.16 . . . . . . . 60 GLU CA . 51325 1 639 . 1 . 1 60 60 GLU CB C 13 29.792 0.16 . . . . . . . 60 GLU CB . 51325 1 640 . 1 . 1 60 60 GLU CG C 13 36.158 0.17 . . . . . . . 60 GLU CG . 51325 1 641 . 1 . 1 60 60 GLU N N 15 120.444 0.00 . . . . . . . 60 GLU N . 51325 1 642 . 1 . 1 61 61 LYS H H 1 8.078 0.00 . . . . . . . 61 LYS H . 51325 1 643 . 1 . 1 61 61 LYS HA H 1 4.285 0.00 . . . . . . . 61 LYS HA . 51325 1 644 . 1 . 1 61 61 LYS HB2 H 1 1.939 0.01 . . . . . . . 61 LYS QB . 51325 1 645 . 1 . 1 61 61 LYS HB3 H 1 1.939 0.01 . . . . . . . 61 LYS QB . 51325 1 646 . 1 . 1 61 61 LYS HG2 H 1 1.521 0.02 . . . . . . . 61 LYS QG . 51325 1 647 . 1 . 1 61 61 LYS HG3 H 1 1.521 0.02 . . . . . . . 61 LYS QG . 51325 1 648 . 1 . 1 61 61 LYS HD2 H 1 1.696 0.02 . . . . . . . 61 LYS QD . 51325 1 649 . 1 . 1 61 61 LYS HD3 H 1 1.696 0.02 . . . . . . . 61 LYS QD . 51325 1 650 . 1 . 1 61 61 LYS HE2 H 1 2.995 0.00 . . . . . . . 61 LYS QE . 51325 1 651 . 1 . 1 61 61 LYS HE3 H 1 2.995 0.00 . . . . . . . 61 LYS QE . 51325 1 652 . 1 . 1 61 61 LYS CA C 13 57.843 0.12 . . . . . . . 61 LYS CA . 51325 1 653 . 1 . 1 61 61 LYS CB C 13 32.592 0.04 . . . . . . . 61 LYS CB . 51325 1 654 . 1 . 1 61 61 LYS CG C 13 25.138 0.00 . . . . . . . 61 LYS CG . 51325 1 655 . 1 . 1 61 61 LYS CD C 13 29.298 0.09 . . . . . . . 61 LYS CD . 51325 1 656 . 1 . 1 61 61 LYS CE C 13 42.322 0.00 . . . . . . . 61 LYS CE . 51325 1 657 . 1 . 1 61 61 LYS N N 15 120.495 0.03 . . . . . . . 61 LYS N . 51325 1 658 . 1 . 1 62 62 MET H H 1 8.208 0.00 . . . . . . . 62 MET H . 51325 1 659 . 1 . 1 62 62 MET HA H 1 4.364 0.00 . . . . . . . 62 MET HA . 51325 1 660 . 1 . 1 62 62 MET HB2 H 1 2.150 0.01 . . . . . . . 62 MET QB . 51325 1 661 . 1 . 1 62 62 MET HB3 H 1 2.150 0.01 . . . . . . . 62 MET QB . 51325 1 662 . 1 . 1 62 62 MET HG2 H 1 2.735 0.02 . . . . . . . 62 MET HG2 . 51325 1 663 . 1 . 1 62 62 MET HG3 H 1 2.624 0.00 . . . . . . . 62 MET HG3 . 51325 1 664 . 1 . 1 62 62 MET C C 13 177.543 0.24 . . . . . . . 62 MET C . 51325 1 665 . 1 . 1 62 62 MET CA C 13 56.895 0.32 . . . . . . . 62 MET CA . 51325 1 666 . 1 . 1 62 62 MET CB C 13 32.749 0.43 . . . . . . . 62 MET CB . 51325 1 667 . 1 . 1 62 62 MET CG C 13 31.785 0.00 . . . . . . . 62 MET CG . 51325 1 668 . 1 . 1 62 62 MET N N 15 119.666 0.05 . . . . . . . 62 MET N . 51325 1 669 . 1 . 1 63 63 ALA H H 1 8.202 0.00 . . . . . . . 63 ALA H . 51325 1 670 . 1 . 1 63 63 ALA HA H 1 4.282 0.02 . . . . . . . 63 ALA HA . 51325 1 671 . 1 . 1 63 63 ALA HB1 H 1 1.476 0.01 . . . . . . . 63 ALA HB# . 51325 1 672 . 1 . 1 63 63 ALA HB2 H 1 1.476 0.01 . . . . . . . 63 ALA HB# . 51325 1 673 . 1 . 1 63 63 ALA HB3 H 1 1.476 0.01 . . . . . . . 63 ALA HB# . 51325 1 674 . 1 . 1 63 63 ALA C C 13 179.004 0.00 . . . . . . . 63 ALA C . 51325 1 675 . 1 . 1 63 63 ALA CA C 13 53.618 0.07 . . . . . . . 63 ALA CA . 51325 1 676 . 1 . 1 63 63 ALA CB C 13 18.794 0.23 . . . . . . . 63 ALA CB . 51325 1 677 . 1 . 1 63 63 ALA N N 15 124.083 0.01 . . . . . . . 63 ALA N . 51325 1 678 . 1 . 1 64 64 ASP H H 1 8.280 0.01 . . . . . . . 64 ASP H . 51325 1 679 . 1 . 1 64 64 ASP HA H 1 4.535 0.01 . . . . . . . 64 ASP HA . 51325 1 680 . 1 . 1 64 64 ASP HB2 H 1 2.767 0.01 . . . . . . . 64 ASP QB . 51325 1 681 . 1 . 1 64 64 ASP HB3 H 1 2.767 0.01 . . . . . . . 64 ASP QB . 51325 1 682 . 1 . 1 64 64 ASP C C 13 177.940 0.02 . . . . . . . 64 ASP C . 51325 1 683 . 1 . 1 64 64 ASP CA C 13 55.815 0.17 . . . . . . . 64 ASP CA . 51325 1 684 . 1 . 1 64 64 ASP CB C 13 41.109 0.17 . . . . . . . 64 ASP CB . 51325 1 685 . 1 . 1 64 64 ASP N N 15 119.564 0.10 . . . . . . . 64 ASP N . 51325 1 686 . 1 . 1 65 65 GLN H H 1 8.362 0.00 . . . . . . . 65 GLN H . 51325 1 687 . 1 . 1 65 65 GLN HA H 1 4.202 0.03 . . . . . . . 65 GLN HA . 51325 1 688 . 1 . 1 65 65 GLN HB2 H 1 2.143 0.01 . . . . . . . 65 GLN QB . 51325 1 689 . 1 . 1 65 65 GLN HB3 H 1 2.143 0.01 . . . . . . . 65 GLN QB . 51325 1 690 . 1 . 1 65 65 GLN HG2 H 1 2.429 0.04 . . . . . . . 65 GLN QG . 51325 1 691 . 1 . 1 65 65 GLN HG3 H 1 2.429 0.04 . . . . . . . 65 GLN QG . 51325 1 692 . 1 . 1 65 65 GLN C C 13 177.270 0.00 . . . . . . . 65 GLN C . 51325 1 693 . 1 . 1 65 65 GLN CA C 13 57.404 0.19 . . . . . . . 65 GLN CA . 51325 1 694 . 1 . 1 65 65 GLN CB C 13 28.831 0.21 . . . . . . . 65 GLN CB . 51325 1 695 . 1 . 1 65 65 GLN CG C 13 33.722 0.27 . . . . . . . 65 GLN CG . 51325 1 696 . 1 . 1 65 65 GLN N N 15 120.506 0.02 . . . . . . . 65 GLN N . 51325 1 697 . 1 . 1 66 66 ALA H H 1 8.234 0.00 . . . . . . . 66 ALA H . 51325 1 698 . 1 . 1 66 66 ALA HA H 1 4.229 0.01 . . . . . . . 66 ALA HA . 51325 1 699 . 1 . 1 66 66 ALA HB1 H 1 1.478 0.01 . . . . . . . 66 ALA HB# . 51325 1 700 . 1 . 1 66 66 ALA HB2 H 1 1.478 0.01 . . . . . . . 66 ALA HB# . 51325 1 701 . 1 . 1 66 66 ALA HB3 H 1 1.478 0.01 . . . . . . . 66 ALA HB# . 51325 1 702 . 1 . 1 66 66 ALA C C 13 179.300 0.01 . . . . . . . 66 ALA C . 51325 1 703 . 1 . 1 66 66 ALA CA C 13 53.887 0.13 . . . . . . . 66 ALA CA . 51325 1 704 . 1 . 1 66 66 ALA CB C 13 18.588 0.19 . . . . . . . 66 ALA CB . 51325 1 705 . 1 . 1 66 66 ALA N N 15 123.063 0.01 . . . . . . . 66 ALA N . 51325 1 706 . 1 . 1 67 67 MET H H 1 8.200 0.01 . . . . . . . 67 MET H . 51325 1 707 . 1 . 1 67 67 MET HA H 1 4.428 0.01 . . . . . . . 67 MET HA . 51325 1 708 . 1 . 1 67 67 MET HB2 H 1 2.171 0.00 . . . . . . . 67 MET QB . 51325 1 709 . 1 . 1 67 67 MET HB3 H 1 2.171 0.00 . . . . . . . 67 MET QB . 51325 1 710 . 1 . 1 67 67 MET HG2 H 1 2.694 0.00 . . . . . . . 67 MET HG2 . 51325 1 711 . 1 . 1 67 67 MET HG3 H 1 2.643 0.01 . . . . . . . 67 MET HG3 . 51325 1 712 . 1 . 1 67 67 MET HE1 H 1 2.093 0.00 . . . . . . . 67 MET HE# . 51325 1 713 . 1 . 1 67 67 MET HE2 H 1 2.093 0.00 . . . . . . . 67 MET HE# . 51325 1 714 . 1 . 1 67 67 MET HE3 H 1 2.093 0.00 . . . . . . . 67 MET HE# . 51325 1 715 . 1 . 1 67 67 MET C C 13 177.624 0.00 . . . . . . . 67 MET C . 51325 1 716 . 1 . 1 67 67 MET CA C 13 56.643 0.11 . . . . . . . 67 MET CA . 51325 1 717 . 1 . 1 67 67 MET CB C 13 32.389 0.13 . . . . . . . 67 MET CB . 51325 1 718 . 1 . 1 67 67 MET CE C 13 16.493 0.11 . . . . . . . 67 MET CE . 51325 1 719 . 1 . 1 67 67 MET N N 15 118.411 0.02 . . . . . . . 67 MET N . 51325 1 720 . 1 . 1 68 68 THR H H 1 8.154 0.01 . . . . . . . 68 THR H . 51325 1 721 . 1 . 1 68 68 THR HA H 1 4.192 0.01 . . . . . . . 68 THR HA . 51325 1 722 . 1 . 1 68 68 THR HB H 1 4.305 0.02 . . . . . . . 68 THR HB . 51325 1 723 . 1 . 1 68 68 THR HG21 H 1 1.265 0.02 . . . . . . . 68 THR QG2 . 51325 1 724 . 1 . 1 68 68 THR HG22 H 1 1.265 0.02 . . . . . . . 68 THR QG2 . 51325 1 725 . 1 . 1 68 68 THR HG23 H 1 1.265 0.02 . . . . . . . 68 THR QG2 . 51325 1 726 . 1 . 1 68 68 THR C C 13 175.658 0.01 . . . . . . . 68 THR C . 51325 1 727 . 1 . 1 68 68 THR CA C 13 63.731 0.12 . . . . . . . 68 THR CA . 51325 1 728 . 1 . 1 68 68 THR CB C 13 69.392 0.13 . . . . . . . 68 THR CB . 51325 1 729 . 1 . 1 68 68 THR CG2 C 13 21.600 0.14 . . . . . . . 68 THR CG2 . 51325 1 730 . 1 . 1 68 68 THR N N 15 114.755 0.05 . . . . . . . 68 THR N . 51325 1 731 . 1 . 1 69 69 GLN H H 1 8.320 0.00 . . . . . . . 69 GLN H . 51325 1 732 . 1 . 1 69 69 GLN HA H 1 4.248 0.01 . . . . . . . 69 GLN HA . 51325 1 733 . 1 . 1 69 69 GLN HB2 H 1 2.074 0.02 . . . . . . . 69 GLN QB . 51325 1 734 . 1 . 1 69 69 GLN HB3 H 1 2.074 0.02 . . . . . . . 69 GLN QB . 51325 1 735 . 1 . 1 69 69 GLN HG2 H 1 2.421 0.02 . . . . . . . 69 GLN QG . 51325 1 736 . 1 . 1 69 69 GLN HG3 H 1 2.421 0.02 . . . . . . . 69 GLN QG . 51325 1 737 . 1 . 1 69 69 GLN C C 13 176.896 0.01 . . . . . . . 69 GLN C . 51325 1 738 . 1 . 1 69 69 GLN CA C 13 56.871 0.18 . . . . . . . 69 GLN CA . 51325 1 739 . 1 . 1 69 69 GLN CB C 13 28.843 0.31 . . . . . . . 69 GLN CB . 51325 1 740 . 1 . 1 69 69 GLN CG C 13 32.687 0.00 . . . . . . . 69 GLN CG . 51325 1 741 . 1 . 1 69 69 GLN N N 15 121.509 0.03 . . . . . . . 69 GLN N . 51325 1 742 . 1 . 1 70 70 MET H H 1 8.212 0.00 . . . . . . . 70 MET H . 51325 1 743 . 1 . 1 70 70 MET HA H 1 4.309 0.00 . . . . . . . 70 MET HA . 51325 1 744 . 1 . 1 70 70 MET HB2 H 1 2.012 0.00 . . . . . . . 70 MET QB . 51325 1 745 . 1 . 1 70 70 MET HB3 H 1 2.012 0.00 . . . . . . . 70 MET QB . 51325 1 746 . 1 . 1 70 70 MET HG2 H 1 2.517 0.00 . . . . . . . 70 MET HG2 . 51325 1 747 . 1 . 1 70 70 MET HG3 H 1 2.414 0.00 . . . . . . . 70 MET HG3 . 51325 1 748 . 1 . 1 70 70 MET C C 13 177.098 0.00 . . . . . . . 70 MET C . 51325 1 749 . 1 . 1 70 70 MET N N 15 120.342 0.03 . . . . . . . 70 MET N . 51325 1 750 . 1 . 1 71 71 TYR H H 1 8.198 0.00 . . . . . . . 71 TYR H . 51325 1 751 . 1 . 1 71 71 TYR HA H 1 4.517 0.01 . . . . . . . 71 TYR HA . 51325 1 752 . 1 . 1 71 71 TYR HB2 H 1 3.107 0.02 . . . . . . . 71 TYR HB2 . 51325 1 753 . 1 . 1 71 71 TYR HB3 H 1 3.011 0.01 . . . . . . . 71 TYR HB3 . 51325 1 754 . 1 . 1 71 71 TYR HD1 H 1 7.142 0.00 . . . . . . . 71 TYR QD . 51325 1 755 . 1 . 1 71 71 TYR HD2 H 1 7.142 0.00 . . . . . . . 71 TYR QD . 51325 1 756 . 1 . 1 71 71 TYR HE1 H 1 6.824 0.00 . . . . . . . 71 TYR QE . 51325 1 757 . 1 . 1 71 71 TYR HE2 H 1 6.824 0.00 . . . . . . . 71 TYR QE . 51325 1 758 . 1 . 1 71 71 TYR C C 13 176.460 0.02 . . . . . . . 71 TYR C . 51325 1 759 . 1 . 1 71 71 TYR CA C 13 58.652 0.21 . . . . . . . 71 TYR CA . 51325 1 760 . 1 . 1 71 71 TYR CB C 13 38.378 0.18 . . . . . . . 71 TYR CB . 51325 1 761 . 1 . 1 71 71 TYR N N 15 120.518 0.01 . . . . . . . 71 TYR N . 51325 1 762 . 1 . 1 72 72 LYS H H 1 8.146 0.01 . . . . . . . 72 LYS H . 51325 1 763 . 1 . 1 72 72 LYS HA H 1 4.191 0.01 . . . . . . . 72 LYS HA . 51325 1 764 . 1 . 1 72 72 LYS HB2 H 1 1.809 0.01 . . . . . . . 72 LYS HB2 . 51325 1 765 . 1 . 1 72 72 LYS HB3 H 1 1.748 0.00 . . . . . . . 72 LYS HB3 . 51325 1 766 . 1 . 1 72 72 LYS HG2 H 1 1.685 0.01 . . . . . . . 72 LYS HG2 . 51325 1 767 . 1 . 1 72 72 LYS HG3 H 1 1.417 0.02 . . . . . . . 72 LYS HG3 . 51325 1 768 . 1 . 1 72 72 LYS HD2 H 1 1.386 0.00 . . . . . . . 72 LYS QD . 51325 1 769 . 1 . 1 72 72 LYS HD3 H 1 1.386 0.00 . . . . . . . 72 LYS QD . 51325 1 770 . 1 . 1 72 72 LYS HE2 H 1 2.988 0.00 . . . . . . . 72 LYS HE2 . 51325 1 771 . 1 . 1 72 72 LYS C C 13 177.045 0.02 . . . . . . . 72 LYS C . 51325 1 772 . 1 . 1 72 72 LYS CA C 13 57.090 0.13 . . . . . . . 72 LYS CA . 51325 1 773 . 1 . 1 72 72 LYS CB C 13 33.100 0.16 . . . . . . . 72 LYS CB . 51325 1 774 . 1 . 1 72 72 LYS CG C 13 25.456 0.18 . . . . . . . 72 LYS CG . 51325 1 775 . 1 . 1 72 72 LYS CD C 13 29.669 0.00 . . . . . . . 72 LYS CD . 51325 1 776 . 1 . 1 72 72 LYS CE C 13 42.487 0.00 . . . . . . . 72 LYS CE . 51325 1 777 . 1 . 1 72 72 LYS N N 15 122.289 0.03 . . . . . . . 72 LYS N . 51325 1 778 . 1 . 1 73 73 GLN H H 1 8.342 0.01 . . . . . . . 73 GLN H . 51325 1 779 . 1 . 1 73 73 GLN HA H 1 4.221 0.02 . . . . . . . 73 GLN HA . 51325 1 780 . 1 . 1 73 73 GLN HB2 H 1 2.070 0.02 . . . . . . . 73 GLN HB2 . 51325 1 781 . 1 . 1 73 73 GLN HB3 H 1 2.018 0.00 . . . . . . . 73 GLN HB3 . 51325 1 782 . 1 . 1 73 73 GLN HG2 H 1 2.407 0.01 . . . . . . . 73 GLN QG . 51325 1 783 . 1 . 1 73 73 GLN HG3 H 1 2.407 0.01 . . . . . . . 73 GLN QG . 51325 1 784 . 1 . 1 73 73 GLN C C 13 176.306 0.02 . . . . . . . 73 GLN C . 51325 1 785 . 1 . 1 73 73 GLN CA C 13 56.304 0.11 . . . . . . . 73 GLN CA . 51325 1 786 . 1 . 1 73 73 GLN CB C 13 29.350 0.16 . . . . . . . 73 GLN CB . 51325 1 787 . 1 . 1 73 73 GLN CG C 13 33.817 0.20 . . . . . . . 73 GLN CG . 51325 1 788 . 1 . 1 73 73 GLN N N 15 121.033 0.03 . . . . . . . 73 GLN N . 51325 1 789 . 1 . 1 74 74 ALA H H 1 8.392 0.01 . . . . . . . 74 ALA H . 51325 1 790 . 1 . 1 74 74 ALA HA H 1 4.282 0.01 . . . . . . . 74 ALA HA . 51325 1 791 . 1 . 1 74 74 ALA HB1 H 1 1.423 0.01 . . . . . . . 74 ALA HB# . 51325 1 792 . 1 . 1 74 74 ALA HB2 H 1 1.423 0.01 . . . . . . . 74 ALA HB# . 51325 1 793 . 1 . 1 74 74 ALA HB3 H 1 1.423 0.01 . . . . . . . 74 ALA HB# . 51325 1 794 . 1 . 1 74 74 ALA C C 13 178.219 0.01 . . . . . . . 74 ALA C . 51325 1 795 . 1 . 1 74 74 ALA CA C 13 52.980 0.14 . . . . . . . 74 ALA CA . 51325 1 796 . 1 . 1 74 74 ALA CB C 13 19.113 0.15 . . . . . . . 74 ALA CB . 51325 1 797 . 1 . 1 74 74 ALA N N 15 125.371 0.04 . . . . . . . 74 ALA N . 51325 1 798 . 1 . 1 75 75 ARG H H 1 8.421 0.00 . . . . . . . 75 ARG H . 51325 1 799 . 1 . 1 75 75 ARG HA H 1 4.348 0.01 . . . . . . . 75 ARG HA . 51325 1 800 . 1 . 1 75 75 ARG HB2 H 1 1.896 0.02 . . . . . . . 75 ARG HB2 . 51325 1 801 . 1 . 1 75 75 ARG HB3 H 1 1.783 0.00 . . . . . . . 75 ARG HB3 . 51325 1 802 . 1 . 1 75 75 ARG HG2 H 1 1.644 0.00 . . . . . . . 75 ARG QG . 51325 1 803 . 1 . 1 75 75 ARG HG3 H 1 1.644 0.00 . . . . . . . 75 ARG QG . 51325 1 804 . 1 . 1 75 75 ARG HD2 H 1 3.182 0.01 . . . . . . . 75 ARG QD . 51325 1 805 . 1 . 1 75 75 ARG HD3 H 1 3.182 0.01 . . . . . . . 75 ARG QD . 51325 1 806 . 1 . 1 75 75 ARG C C 13 177.020 0.01 . . . . . . . 75 ARG C . 51325 1 807 . 1 . 1 75 75 ARG CA C 13 56.276 0.11 . . . . . . . 75 ARG CA . 51325 1 808 . 1 . 1 75 75 ARG CB C 13 30.860 0.26 . . . . . . . 75 ARG CB . 51325 1 809 . 1 . 1 75 75 ARG CG C 13 27.332 0.20 . . . . . . . 75 ARG CG . 51325 1 810 . 1 . 1 75 75 ARG CD C 13 43.499 0.20 . . . . . . . 75 ARG CD . 51325 1 811 . 1 . 1 75 75 ARG N N 15 120.258 0.04 . . . . . . . 75 ARG N . 51325 1 812 . 1 . 1 76 76 SER H H 1 8.472 0.00 . . . . . . . 76 SER H . 51325 1 813 . 1 . 1 76 76 SER HA H 1 4.379 0.01 . . . . . . . 76 SER HA . 51325 1 814 . 1 . 1 76 76 SER HB2 H 1 3.887 0.02 . . . . . . . 76 SER QB . 51325 1 815 . 1 . 1 76 76 SER HB3 H 1 3.887 0.02 . . . . . . . 76 SER QB . 51325 1 816 . 1 . 1 76 76 SER C C 13 175.114 0.01 . . . . . . . 76 SER C . 51325 1 817 . 1 . 1 76 76 SER CA C 13 59.070 0.03 . . . . . . . 76 SER CA . 51325 1 818 . 1 . 1 76 76 SER CB C 13 63.669 0.14 . . . . . . . 76 SER CB . 51325 1 819 . 1 . 1 76 76 SER N N 15 117.624 0.03 . . . . . . . 76 SER N . 51325 1 820 . 1 . 1 77 77 GLU H H 1 8.672 0.01 . . . . . . . 77 GLU H . 51325 1 821 . 1 . 1 77 77 GLU HA H 1 4.274 0.00 . . . . . . . 77 GLU HA . 51325 1 822 . 1 . 1 77 77 GLU HB2 H 1 2.059 0.02 . . . . . . . 77 GLU HB2 . 51325 1 823 . 1 . 1 77 77 GLU HB3 H 1 1.946 0.01 . . . . . . . 77 GLU HB3 . 51325 1 824 . 1 . 1 77 77 GLU HG2 H 1 2.281 0.02 . . . . . . . 77 GLU QG . 51325 1 825 . 1 . 1 77 77 GLU HG3 H 1 2.281 0.02 . . . . . . . 77 GLU QG . 51325 1 826 . 1 . 1 77 77 GLU C C 13 176.462 0.01 . . . . . . . 77 GLU C . 51325 1 827 . 1 . 1 77 77 GLU CA C 13 56.869 0.10 . . . . . . . 77 GLU CA . 51325 1 828 . 1 . 1 77 77 GLU CB C 13 30.096 0.21 . . . . . . . 77 GLU CB . 51325 1 829 . 1 . 1 77 77 GLU CG C 13 36.293 0.14 . . . . . . . 77 GLU CG . 51325 1 830 . 1 . 1 77 77 GLU N N 15 122.723 0.05 . . . . . . . 77 GLU N . 51325 1 831 . 1 . 1 78 78 ASP H H 1 8.365 0.00 . . . . . . . 78 ASP H . 51325 1 832 . 1 . 1 78 78 ASP HA H 1 4.557 0.01 . . . . . . . 78 ASP HA . 51325 1 833 . 1 . 1 78 78 ASP HB2 H 1 2.753 0.01 . . . . . . . 78 ASP HB2 . 51325 1 834 . 1 . 1 78 78 ASP HB3 H 1 2.646 0.02 . . . . . . . 78 ASP HB3 . 51325 1 835 . 1 . 1 78 78 ASP C C 13 176.750 0.03 . . . . . . . 78 ASP C . 51325 1 836 . 1 . 1 78 78 ASP CA C 13 54.624 0.06 . . . . . . . 78 ASP CA . 51325 1 837 . 1 . 1 78 78 ASP CB C 13 40.970 0.20 . . . . . . . 78 ASP CB . 51325 1 838 . 1 . 1 78 78 ASP N N 15 121.693 0.04 . . . . . . . 78 ASP N . 51325 1 839 . 1 . 1 79 79 LYS H H 1 8.438 0.00 . . . . . . . 79 LYS H . 51325 1 840 . 1 . 1 79 79 LYS HA H 1 4.295 0.00 . . . . . . . 79 LYS HA . 51325 1 841 . 1 . 1 79 79 LYS HB2 H 1 1.910 0.01 . . . . . . . 79 LYS HB2 . 51325 1 842 . 1 . 1 79 79 LYS HB3 H 1 1.767 0.01 . . . . . . . 79 LYS HB3 . 51325 1 843 . 1 . 1 79 79 LYS HG2 H 1 1.450 0.00 . . . . . . . 79 LYS QG . 51325 1 844 . 1 . 1 79 79 LYS HG3 H 1 1.450 0.00 . . . . . . . 79 LYS QG . 51325 1 845 . 1 . 1 79 79 LYS HD2 H 1 1.717 0.00 . . . . . . . 79 LYS HD2 . 51325 1 846 . 1 . 1 79 79 LYS HD3 H 1 1.676 0.01 . . . . . . . 79 LYS HD3 . 51325 1 847 . 1 . 1 79 79 LYS HE2 H 1 3.274 0.00 . . . . . . . 79 LYS HE2 . 51325 1 848 . 1 . 1 79 79 LYS HE3 H 1 2.986 0.01 . . . . . . . 79 LYS HE3 . 51325 1 849 . 1 . 1 79 79 LYS C C 13 177.003 0.01 . . . . . . . 79 LYS C . 51325 1 850 . 1 . 1 79 79 LYS CA C 13 56.439 0.11 . . . . . . . 79 LYS CA . 51325 1 851 . 1 . 1 79 79 LYS CB C 13 32.680 0.02 . . . . . . . 79 LYS CB . 51325 1 852 . 1 . 1 79 79 LYS CG C 13 24.798 0.19 . . . . . . . 79 LYS CG . 51325 1 853 . 1 . 1 79 79 LYS CD C 13 29.091 0.11 . . . . . . . 79 LYS CD . 51325 1 854 . 1 . 1 79 79 LYS CE C 13 42.008 0.22 . . . . . . . 79 LYS CE . 51325 1 855 . 1 . 1 79 79 LYS N N 15 122.615 0.03 . . . . . . . 79 LYS N . 51325 1 856 . 1 . 1 80 80 ARG H H 1 8.304 0.01 . . . . . . . 80 ARG H . 51325 1 857 . 1 . 1 80 80 ARG HA H 1 4.267 0.00 . . . . . . . 80 ARG HA . 51325 1 858 . 1 . 1 80 80 ARG HB2 H 1 1.828 0.01 . . . . . . . 80 ARG QB . 51325 1 859 . 1 . 1 80 80 ARG HB3 H 1 1.828 0.01 . . . . . . . 80 ARG QB . 51325 1 860 . 1 . 1 80 80 ARG HG2 H 1 1.659 0.02 . . . . . . . 80 ARG QG . 51325 1 861 . 1 . 1 80 80 ARG HG3 H 1 1.659 0.02 . . . . . . . 80 ARG QG . 51325 1 862 . 1 . 1 80 80 ARG HD2 H 1 3.220 0.00 . . . . . . . 80 ARG QD . 51325 1 863 . 1 . 1 80 80 ARG HD3 H 1 3.220 0.00 . . . . . . . 80 ARG QD . 51325 1 864 . 1 . 1 80 80 ARG C C 13 176.395 0.00 . . . . . . . 80 ARG C . 51325 1 865 . 1 . 1 80 80 ARG CA C 13 56.342 0.08 . . . . . . . 80 ARG CA . 51325 1 866 . 1 . 1 80 80 ARG CB C 13 30.788 0.18 . . . . . . . 80 ARG CB . 51325 1 867 . 1 . 1 80 80 ARG CG C 13 27.077 0.26 . . . . . . . 80 ARG CG . 51325 1 868 . 1 . 1 80 80 ARG CD C 13 43.388 0.23 . . . . . . . 80 ARG CD . 51325 1 869 . 1 . 1 80 80 ARG N N 15 121.559 0.01 . . . . . . . 80 ARG N . 51325 1 870 . 1 . 1 81 81 ALA H H 1 8.351 0.00 . . . . . . . 81 ALA H . 51325 1 871 . 1 . 1 81 81 ALA HA H 1 4.262 0.01 . . . . . . . 81 ALA HA . 51325 1 872 . 1 . 1 81 81 ALA HB1 H 1 1.389 0.02 . . . . . . . 81 ALA HB# . 51325 1 873 . 1 . 1 81 81 ALA HB2 H 1 1.389 0.02 . . . . . . . 81 ALA HB# . 51325 1 874 . 1 . 1 81 81 ALA HB3 H 1 1.389 0.02 . . . . . . . 81 ALA HB# . 51325 1 875 . 1 . 1 81 81 ALA C C 13 177.751 0.01 . . . . . . . 81 ALA C . 51325 1 876 . 1 . 1 81 81 ALA CA C 13 52.524 0.13 . . . . . . . 81 ALA CA . 51325 1 877 . 1 . 1 81 81 ALA CB C 13 19.276 0.16 . . . . . . . 81 ALA CB . 51325 1 878 . 1 . 1 81 81 ALA N N 15 125.120 0.02 . . . . . . . 81 ALA N . 51325 1 879 . 1 . 1 82 82 LYS H H 1 8.418 0.01 . . . . . . . 82 LYS H . 51325 1 880 . 1 . 1 82 82 LYS HA H 1 4.313 0.02 . . . . . . . 82 LYS HA . 51325 1 881 . 1 . 1 82 82 LYS HB2 H 1 1.796 0.01 . . . . . . . 82 LYS QB . 51325 1 882 . 1 . 1 82 82 LYS HB3 H 1 1.796 0.01 . . . . . . . 82 LYS QB . 51325 1 883 . 1 . 1 82 82 LYS HG2 H 1 1.421 0.01 . . . . . . . 82 LYS QG . 51325 1 884 . 1 . 1 82 82 LYS HG3 H 1 1.421 0.01 . . . . . . . 82 LYS QG . 51325 1 885 . 1 . 1 82 82 LYS HD2 H 1 1.681 0.01 . . . . . . . 82 LYS QD . 51325 1 886 . 1 . 1 82 82 LYS HD3 H 1 1.681 0.01 . . . . . . . 82 LYS QD . 51325 1 887 . 1 . 1 82 82 LYS HE2 H 1 2.985 0.01 . . . . . . . 82 LYS QE . 51325 1 888 . 1 . 1 82 82 LYS HE3 H 1 2.985 0.01 . . . . . . . 82 LYS QE . 51325 1 889 . 1 . 1 82 82 LYS C C 13 176.695 0.02 . . . . . . . 82 LYS C . 51325 1 890 . 1 . 1 82 82 LYS CA C 13 56.291 0.14 . . . . . . . 82 LYS CA . 51325 1 891 . 1 . 1 82 82 LYS CB C 13 33.167 0.25 . . . . . . . 82 LYS CB . 51325 1 892 . 1 . 1 82 82 LYS CG C 13 25.033 0.00 . . . . . . . 82 LYS CG . 51325 1 893 . 1 . 1 82 82 LYS CD C 13 29.140 0.22 . . . . . . . 82 LYS CD . 51325 1 894 . 1 . 1 82 82 LYS CE C 13 42.414 0.00 . . . . . . . 82 LYS CE . 51325 1 895 . 1 . 1 82 82 LYS N N 15 121.614 0.03 . . . . . . . 82 LYS N . 51325 1 896 . 1 . 1 83 83 VAL H H 1 8.443 0.00 . . . . . . . 83 VAL H . 51325 1 897 . 1 . 1 83 83 VAL HA H 1 4.224 0.04 . . . . . . . 83 VAL HA . 51325 1 898 . 1 . 1 83 83 VAL HB H 1 2.123 0.01 . . . . . . . 83 VAL HB . 51325 1 899 . 1 . 1 83 83 VAL HG11 H 1 0.956 0.01 . . . . . . . 83 VAL QQG . 51325 1 900 . 1 . 1 83 83 VAL HG12 H 1 0.956 0.01 . . . . . . . 83 VAL QQG . 51325 1 901 . 1 . 1 83 83 VAL HG13 H 1 0.956 0.01 . . . . . . . 83 VAL QQG . 51325 1 902 . 1 . 1 83 83 VAL HG21 H 1 0.956 0.01 . . . . . . . 83 VAL QQG . 51325 1 903 . 1 . 1 83 83 VAL HG22 H 1 0.956 0.01 . . . . . . . 83 VAL QQG . 51325 1 904 . 1 . 1 83 83 VAL HG23 H 1 0.956 0.01 . . . . . . . 83 VAL QQG . 51325 1 905 . 1 . 1 83 83 VAL C C 13 175.899 0.00 . . . . . . . 83 VAL C . 51325 1 906 . 1 . 1 83 83 VAL CA C 13 62.494 0.17 . . . . . . . 83 VAL CA . 51325 1 907 . 1 . 1 83 83 VAL CB C 13 32.681 0.23 . . . . . . . 83 VAL CB . 51325 1 908 . 1 . 1 83 83 VAL CG1 C 13 20.971 0.06 . . . . . . . 83 VAL CG1 . 51325 1 909 . 1 . 1 83 83 VAL N N 15 123.085 0.05 . . . . . . . 83 VAL N . 51325 1 910 . 1 . 1 84 84 THR H H 1 7.937 0.00 . . . . . . . 84 THR H . 51325 1 911 . 1 . 1 84 84 THR HA H 1 4.170 0.04 . . . . . . . 84 THR HA . 51325 1 912 . 1 . 1 84 84 THR HB H 1 4.196 0.00 . . . . . . . 84 THR HB . 51325 1 913 . 1 . 1 84 84 THR HG21 H 1 1.203 0.01 . . . . . . . 84 THR QG2 . 51325 1 914 . 1 . 1 84 84 THR HG22 H 1 1.203 0.01 . . . . . . . 84 THR QG2 . 51325 1 915 . 1 . 1 84 84 THR HG23 H 1 1.203 0.01 . . . . . . . 84 THR QG2 . 51325 1 916 . 1 . 1 84 84 THR C C 13 175.907 0.00 . . . . . . . 84 THR C . 51325 1 917 . 1 . 1 84 84 THR CA C 13 63.143 0.00 . . . . . . . 84 THR CA . 51325 1 918 . 1 . 1 84 84 THR CB C 13 70.459 0.00 . . . . . . . 84 THR CB . 51325 1 919 . 1 . 1 84 84 THR CG2 C 13 21.482 0.00 . . . . . . . 84 THR CG2 . 51325 1 920 . 1 . 1 84 84 THR N N 15 123.651 0.02 . . . . . . . 84 THR N . 51325 1 stop_ save_ ######################## # Coupling constants # ######################## save_Nsp8_NTD_3JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode Nsp8_NTD_3JHNHA _Coupling_constant_list.Entry_ID 51325 _Coupling_constant_list.ID 1 _Coupling_constant_list.Name . _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 16 hnhagp3d . . . 51325 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 1 1 ALA HN H 1 . . 1 1 1 1 ALA HA H 1 . 4.908800 . . 0.2500 . . . . 1 ALA HN . . 1 ALA HA . 51325 1 2 3JHNHA . 1 1 2 2 ILE HN H 1 . . 1 1 2 2 ILE HA H 1 . 6.436000 . . 0.2500 . . . . 2 ILE HN . . 2 ILE HA . 51325 1 3 3JHNHA . 1 1 3 3 ALA HN H 1 . . 1 1 3 3 ALA HA H 1 . 4.589000 . . 0.2500 . . . . 3 ALA HN . . 3 ALA HA . 51325 1 4 3JHNHA . 1 1 4 4 SER HN H 1 . . 1 1 4 4 SER HA H 1 . 5.111900 . . 0.2500 . . . . 4 SER HN . . 4 SER HA . 51325 1 5 3JHNHA . 1 1 5 5 GLU HN H 1 . . 1 1 5 5 GLU HA H 1 . 4.303900 . . 0.2500 . . . . 5 GLU HN . . 5 GLU HA . 51325 1 6 3JHNHA . 1 1 6 6 PHE HN H 1 . . 1 1 6 6 PHE HA H 1 . 6.698300 . . 0.2500 . . . . 6 PHE HN . . 6 PHE HA . 51325 1 7 3JHNHA . 1 1 7 7 SER HN H 1 . . 1 1 7 7 SER HA H 1 . 6.552400 . . 0.2500 . . . . 7 SER HN . . 7 SER HA . 51325 1 8 3JHNHA . 1 1 9 9 LEU HN H 1 . . 1 1 9 9 LEU HA H 1 . 4.204500 . . 0.2500 . . . . 9 LEU HN . . 9 LEU HA . 51325 1 9 3JHNHA . 1 1 10 10 PRO HN H 1 . . 1 1 10 10 PRO HA H 1 . 4.168100 . . 0.2500 . . . . 10 PRO HN . . 10 PRO HA . 51325 1 10 3JHNHA . 1 1 12 12 TYR HN H 1 . . 1 1 12 12 TYR HA H 1 . 3.598600 . . 0.2500 . . . . 12 TYR HN . . 12 TYR HA . 51325 1 11 3JHNHA . 1 1 13 13 ALA HN H 1 . . 1 1 13 13 ALA HA H 1 . 2.086400 . . 0.2500 . . . . 13 ALA HN . . 13 ALA HA . 51325 1 12 3JHNHA . 1 1 14 14 ALA HN H 1 . . 1 1 14 14 ALA HA H 1 . 3.040000 . . 0.2500 . . . . 14 ALA HN . . 14 ALA HA . 51325 1 13 3JHNHA . 1 1 15 15 PHE HN H 1 . . 1 1 15 15 PHE HA H 1 . 5.941200 . . 0.2500 . . . . 15 PHE HN . . 15 PHE HA . 51325 1 14 3JHNHA . 1 1 17 17 THR HN H 1 . . 1 1 17 17 THR HA H 1 . 3.301100 . . 0.2500 . . . . 17 THR HN . . 17 THR HA . 51325 1 15 3JHNHA . 1 1 18 18 ALA HN H 1 . . 1 1 18 18 ALA HA H 1 . 3.595400 . . 0.2500 . . . . 18 ALA HN . . 18 ALA HA . 51325 1 16 3JHNHA . 1 1 19 19 GLN HN H 1 . . 1 1 19 19 GLN HA H 1 . 3.259100 . . 0.2500 . . . . 19 GLN HN . . 19 GLN HA . 51325 1 17 3JHNHA . 1 1 20 20 GLU HN H 1 . . 1 1 20 20 GLU HA H 1 . 3.086100 . . 0.2500 . . . . 20 GLU HN . . 20 GLU HA . 51325 1 18 3JHNHA . 1 1 21 21 ALA HN H 1 . . 1 1 21 21 ALA HA H 1 . 2.895000 . . 0.2500 . . . . 21 ALA HN . . 21 ALA HA . 51325 1 19 3JHNHA . 1 1 22 22 TYR HN H 1 . . 1 1 22 22 TYR HA H 1 . 3.470000 . . 0.2500 . . . . 22 TYR HN . . 22 TYR HA . 51325 1 20 3JHNHA . 1 1 23 23 GLU HN H 1 . . 1 1 23 23 GLU HA H 1 . 3.038100 . . 0.2500 . . . . 23 GLU HN . . 23 GLU HA . 51325 1 21 3JHNHA . 1 1 24 24 GLN HN H 1 . . 1 1 24 24 GLN HA H 1 . 3.672600 . . 0.2500 . . . . 24 GLN HN . . 24 GLN HA . 51325 1 22 3JHNHA . 1 1 25 25 ALA HN H 1 . . 1 1 25 25 ALA HA H 1 . 3.739500 . . 0.2500 . . . . 25 ALA HN . . 25 ALA HA . 51325 1 23 3JHNHA . 1 1 26 26 VAL HN H 1 . . 1 1 26 26 VAL HA H 1 . 3.591500 . . 0.2500 . . . . 26 VAL HN . . 26 VAL HA . 51325 1 24 3JHNHA . 1 1 27 27 ALA HN H 1 . . 1 1 27 27 ALA HA H 1 . 5.376300 . . 0.2500 . . . . 27 ALA HN . . 27 ALA HA . 51325 1 25 3JHNHA . 1 1 29 29 GLY HN H 1 . . 1 1 29 29 GLY HA H 1 . 5.518500 . . 0.2500 . . . . 29 GLY HN . . 29 GLY HA . 51325 1 26 3JHNHA . 1 1 30 30 ASP HN H 1 . . 1 1 30 30 ASP HA H 1 . 2.482600 . . 0.2500 . . . . 30 ASP HN . . 30 ASP HA . 51325 1 27 3JHNHA . 1 1 32 32 GLU HN H 1 . . 1 1 32 32 GLU HA H 1 . 1.886700 . . 0.2500 . . . . 32 GLU HN . . 32 GLU HA . 51325 1 28 3JHNHA . 1 1 33 33 VAL HN H 1 . . 1 1 33 33 VAL HA H 1 . 4.055900 . . 0.2500 . . . . 33 VAL HN . . 33 VAL HA . 51325 1 29 3JHNHA . 1 1 34 34 VAL HN H 1 . . 1 1 34 34 VAL HA H 1 . 5.414400 . . 0.2500 . . . . 34 VAL HN . . 34 VAL HA . 51325 1 30 3JHNHA . 1 1 35 35 LEU HN H 1 . . 1 1 35 35 LEU HA H 1 . 2.549200 . . 0.2500 . . . . 35 LEU HN . . 35 LEU HA . 51325 1 31 3JHNHA . 1 1 36 36 LYS HN H 1 . . 1 1 36 36 LYS HA H 1 . 2.976000 . . 0.2500 . . . . 36 LYS HN . . 36 LYS HA . 51325 1 32 3JHNHA . 1 1 37 37 LYS HN H 1 . . 1 1 37 37 LYS HA H 1 . 3.868400 . . 0.2500 . . . . 37 LYS HN . . 37 LYS HA . 51325 1 33 3JHNHA . 1 1 38 38 LEU HN H 1 . . 1 1 38 38 LEU HA H 1 . 3.933500 . . 0.2500 . . . . 38 LEU HN . . 38 LEU HA . 51325 1 34 3JHNHA . 1 1 39 39 LYS HN H 1 . . 1 1 39 39 LYS HA H 1 . 3.268700 . . 0.2500 . . . . 39 LYS HN . . 39 LYS HA . 51325 1 35 3JHNHA . 1 1 40 40 LYS HN H 1 . . 1 1 40 40 LYS HA H 1 . 4.027500 . . 0.2500 . . . . 40 LYS HN . . 40 LYS HA . 51325 1 36 3JHNHA . 1 1 43 43 ASN HN H 1 . . 1 1 43 43 ASN HA H 1 . 2.529900 . . 0.2500 . . . . 43 ASN HN . . 43 ASN HA . 51325 1 37 3JHNHA . 1 1 44 44 VAL HN H 1 . . 1 1 44 44 VAL HA H 1 . 3.510400 . . 0.2500 . . . . 44 VAL HN . . 44 VAL HA . 51325 1 38 3JHNHA . 1 1 46 46 LYS HN H 1 . . 1 1 46 46 LYS HA H 1 . 3.058100 . . 0.2500 . . . . 46 LYS HN . . 46 LYS HA . 51325 1 39 3JHNHA . 1 1 47 47 SER HN H 1 . . 1 1 47 47 SER HA H 1 . 4.098500 . . 0.2500 . . . . 47 SER HN . . 47 SER HA . 51325 1 40 3JHNHA . 1 1 49 49 PHE HN H 1 . . 1 1 49 49 PHE HA H 1 . 3.436700 . . 0.2500 . . . . 49 PHE HN . . 49 PHE HA . 51325 1 41 3JHNHA . 1 1 50 50 ASP HN H 1 . . 1 1 50 50 ASP HA H 1 . 2.414300 . . 0.2500 . . . . 50 ASP HN . . 50 ASP HA . 51325 1 42 3JHNHA . 1 1 51 51 ARG HN H 1 . . 1 1 51 51 ARG HA H 1 . 3.814500 . . 0.2500 . . . . 51 ARG HN . . 51 ARG HA . 51325 1 43 3JHNHA . 1 1 52 52 ASP HN H 1 . . 1 1 52 52 ASP HA H 1 . 3.663600 . . 0.2500 . . . . 52 ASP HN . . 52 ASP HA . 51325 1 44 3JHNHA . 1 1 53 53 ALA HN H 1 . . 1 1 53 53 ALA HA H 1 . 3.729000 . . 0.2500 . . . . 53 ALA HN . . 53 ALA HA . 51325 1 45 3JHNHA . 1 1 54 54 ALA HN H 1 . . 1 1 54 54 ALA HA H 1 . 5.000200 . . 0.2500 . . . . 54 ALA HN . . 54 ALA HA . 51325 1 46 3JHNHA . 1 1 59 59 LEU HN H 1 . . 1 1 59 59 LEU HA H 1 . 5.003300 . . 0.2500 . . . . 59 LEU HN . . 59 LEU HA . 51325 1 47 3JHNHA . 1 1 62 62 MET HN H 1 . . 1 1 62 62 MET HA H 1 . 5.236800 . . 0.2500 . . . . 62 MET HN . . 62 MET HA . 51325 1 48 3JHNHA . 1 1 64 64 ASP HN H 1 . . 1 1 64 64 ASP HA H 1 . 4.647200 . . 0.2500 . . . . 64 ASP HN . . 64 ASP HA . 51325 1 49 3JHNHA . 1 1 65 65 GLN HN H 1 . . 1 1 65 65 GLN HA H 1 . 4.682100 . . 0.2500 . . . . 65 GLN HN . . 65 GLN HA . 51325 1 50 3JHNHA . 1 1 66 66 ALA HN H 1 . . 1 1 66 66 ALA HA H 1 . 4.241800 . . 0.2500 . . . . 66 ALA HN . . 66 ALA HA . 51325 1 51 3JHNHA . 1 1 67 67 MET HN H 1 . . 1 1 67 67 MET HA H 1 . 5.288700 . . 0.2500 . . . . 67 MET HN . . 67 MET HA . 51325 1 52 3JHNHA . 1 1 68 68 THR HN H 1 . . 1 1 68 68 THR HA H 1 . 5.228300 . . 0.2500 . . . . 68 THR HN . . 68 THR HA . 51325 1 53 3JHNHA . 1 1 69 69 GLN HN H 1 . . 1 1 69 69 GLN HA H 1 . 5.697000 . . 0.2500 . . . . 69 GLN HN . . 69 GLN HA . 51325 1 54 3JHNHA . 1 1 73 73 GLN HN H 1 . . 1 1 73 73 GLN HA H 1 . 5.733200 . . 0.2500 . . . . 73 GLN HN . . 73 GLN HA . 51325 1 55 3JHNHA . 1 1 74 74 ALA HN H 1 . . 1 1 74 74 ALA HA H 1 . 5.445400 . . 0.2500 . . . . 74 ALA HN . . 74 ALA HA . 51325 1 56 3JHNHA . 1 1 75 75 ARG HN H 1 . . 1 1 75 75 ARG HA H 1 . 6.093500 . . 0.2500 . . . . 75 ARG HN . . 75 ARG HA . 51325 1 57 3JHNHA . 1 1 76 76 SER HN H 1 . . 1 1 76 76 SER HA H 1 . 5.785600 . . 0.2500 . . . . 76 SER HN . . 76 SER HA . 51325 1 58 3JHNHA . 1 1 77 77 GLU HN H 1 . . 1 1 77 77 GLU HA H 1 . 5.628500 . . 0.2500 . . . . 77 GLU HN . . 77 GLU HA . 51325 1 59 3JHNHA . 1 1 78 78 ASP HN H 1 . . 1 1 78 78 ASP HA H 1 . 5.865400 . . 0.2500 . . . . 78 ASP HN . . 78 ASP HA . 51325 1 60 3JHNHA . 1 1 79 79 LYS HN H 1 . . 1 1 79 79 LYS HA H 1 . 6.578700 . . 0.2500 . . . . 79 LYS HN . . 79 LYS HA . 51325 1 61 3JHNHA . 1 1 80 80 ARG HN H 1 . . 1 1 80 80 ARG HA H 1 . 5.132900 . . 0.2500 . . . . 80 ARG HN . . 80 ARG HA . 51325 1 62 3JHNHA . 1 1 82 82 LYS HN H 1 . . 1 1 82 82 LYS HA H 1 . 6.239600 . . 0.2500 . . . . 82 LYS HN . . 82 LYS HA . 51325 1 63 3JHNHA . 1 1 83 83 VAL HN H 1 . . 1 1 83 83 VAL HA H 1 . 7.602200 . . 0.2500 . . . . 83 VAL HN . . 83 VAL HA . 51325 1 64 3JHNHA . 1 1 84 84 THR HN H 1 . . 1 1 84 84 THR HA H 1 . 7.613100 . . 0.2500 . . . . 84 THR HN . . 84 THR HA . 51325 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_Nsp8_NTD_hNOE _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode Nsp8_NTD_hNOE _Heteronucl_NOE_list.Entry_ID 51325 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 15 hsqcnoef3gpsi . . . 51325 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 ALA N N 15 . 1 1 1 1 ALA H H 1 -0.174 0.002 . . . 1 ALA N . 1 ALA H 51325 1 2 . 1 1 2 2 ILE N N 15 . 1 1 2 2 ILE H H 1 0.040 0.002 . . . 2 ILE N . 2 ILE H 51325 1 3 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 0.369 0.003 . . . 3 ALA N . 3 ALA H 51325 1 4 . 1 1 4 4 SER N N 15 . 1 1 4 4 SER H H 1 0.447 0.004 . . . 4 SER N . 4 SER H 51325 1 5 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.607 0.010 . . . 5 GLU N . 5 GLU H 51325 1 6 . 1 1 6 6 PHE N N 15 . 1 1 6 6 PHE H H 1 0.600 0.012 . . . 6 PHE N . 6 PHE H 51325 1 7 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 0.726 0.017 . . . 7 SER N . 7 SER H 51325 1 8 . 1 1 8 8 SER N N 15 . 1 1 8 8 SER H H 1 0.756 0.013 . . . 8 SER N . 8 SER H 51325 1 9 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.721 0.013 . . . 9 LEU N . 9 LEU H 51325 1 10 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.568 0.019 . . . 11 SER N . 11 SER H 51325 1 11 . 1 1 12 12 TYR N N 15 . 1 1 12 12 TYR H H 1 0.820 0.017 . . . 12 TYR N . 12 TYR H 51325 1 12 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.783 0.017 . . . 13 ALA N . 13 ALA H 51325 1 13 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.743 0.018 . . . 14 ALA N . 14 ALA H 51325 1 14 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.784 0.017 . . . 15 PHE N . 15 PHE H 51325 1 15 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.784 0.019 . . . 16 ALA N . 16 ALA H 51325 1 16 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.794 0.013 . . . 17 THR N . 17 THR H 51325 1 17 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.814 0.019 . . . 18 ALA N . 18 ALA H 51325 1 18 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.834 0.016 . . . 19 GLN N . 19 GLN H 51325 1 19 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.783 0.011 . . . 20 GLU N . 20 GLU H 51325 1 20 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.755 0.015 . . . 21 ALA N . 21 ALA H 51325 1 21 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.798 0.015 . . . 22 TYR N . 22 TYR H 51325 1 22 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.820 0.016 . . . 23 GLU N . 23 GLU H 51325 1 23 . 1 1 24 24 GLN N N 15 . 1 1 24 24 GLN H H 1 0.795 0.012 . . . 24 GLN N . 24 GLN H 51325 1 24 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.781 0.018 . . . 25 ALA N . 25 ALA H 51325 1 25 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.780 0.015 . . . 26 VAL N . 26 VAL H 51325 1 26 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.760 0.013 . . . 27 ALA N . 27 ALA H 51325 1 27 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.752 0.012 . . . 28 ASN N . 28 ASN H 51325 1 28 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.723 0.016 . . . 29 GLY N . 29 GLY H 51325 1 29 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.711 0.010 . . . 30 ASP N . 30 ASP H 51325 1 30 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.647 0.010 . . . 31 SER N . 31 SER H 51325 1 31 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.653 0.013 . . . 32 GLU N . 32 GLU H 51325 1 32 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 0.657 0.011 . . . 33 VAL N . 33 VAL H 51325 1 33 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.680 0.015 . . . 34 VAL N . 34 VAL H 51325 1 34 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.750 0.024 . . . 35 LEU N . 35 LEU H 51325 1 35 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.744 0.017 . . . 36 LYS N . 36 LYS H 51325 1 36 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.770 0.013 . . . 37 LYS N . 37 LYS H 51325 1 37 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.752 0.023 . . . 38 LEU N . 38 LEU H 51325 1 38 . 1 1 39 39 LYS N N 15 . 1 1 39 39 LYS H H 1 0.733 0.021 . . . 39 LYS N . 39 LYS H 51325 1 39 . 1 1 40 40 LYS N N 15 . 1 1 40 40 LYS H H 1 0.746 0.015 . . . 40 LYS N . 40 LYS H 51325 1 40 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.764 0.011 . . . 41 SER N . 41 SER H 51325 1 41 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 0.848 0.022 . . . 42 LEU N . 42 LEU H 51325 1 42 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.793 0.017 . . . 43 ASN N . 43 ASN H 51325 1 43 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.591 0.020 . . . 44 VAL N . 44 VAL H 51325 1 44 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.764 0.022 . . . 45 ALA N . 45 ALA H 51325 1 45 . 1 1 46 46 LYS N N 15 . 1 1 46 46 LYS H H 1 0.804 0.028 . . . 46 LYS N . 46 LYS H 51325 1 46 . 1 1 47 47 SER N N 15 . 1 1 47 47 SER H H 1 0.793 0.014 . . . 47 SER N . 47 SER H 51325 1 47 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.802 0.016 . . . 48 GLU N . 48 GLU H 51325 1 48 . 1 1 49 49 PHE N N 15 . 1 1 49 49 PHE H H 1 0.699 0.022 . . . 49 PHE N . 49 PHE H 51325 1 49 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.822 0.020 . . . 50 ASP N . 50 ASP H 51325 1 50 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.757 0.025 . . . 51 ARG N . 51 ARG H 51325 1 51 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.799 0.027 . . . 52 ASP N . 52 ASP H 51325 1 52 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.845 0.034 . . . 53 ALA N . 53 ALA H 51325 1 53 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.758 0.023 . . . 54 ALA N . 54 ALA H 51325 1 54 . 1 1 55 55 MET N N 15 . 1 1 55 55 MET H H 1 0.753 0.031 . . . 55 MET N . 55 MET H 51325 1 55 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.527 0.023 . . . 58 LYS N . 58 LYS H 51325 1 56 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.516 0.023 . . . 60 GLU N . 60 GLU H 51325 1 57 . 1 1 61 61 LYS N N 15 . 1 1 61 61 LYS H H 1 0.580 0.015 . . . 61 LYS N . 61 LYS H 51325 1 58 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.452 0.024 . . . 63 ALA N . 63 ALA H 51325 1 59 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.480 0.013 . . . 64 ASP N . 64 ASP H 51325 1 60 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.504 0.013 . . . 65 GLN N . 65 GLN H 51325 1 61 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.475 0.014 . . . 66 ALA N . 66 ALA H 51325 1 62 . 1 1 67 67 MET N N 15 . 1 1 67 67 MET H H 1 0.474 0.013 . . . 67 MET N . 67 MET H 51325 1 63 . 1 1 68 68 THR N N 15 . 1 1 68 68 THR H H 1 0.498 0.010 . . . 68 THR N . 68 THR H 51325 1 64 . 1 1 69 69 GLN N N 15 . 1 1 69 69 GLN H H 1 0.483 0.014 . . . 69 GLN N . 69 GLN H 51325 1 65 . 1 1 70 70 MET N N 15 . 1 1 70 70 MET H H 1 0.498 0.009 . . . 70 MET N . 70 MET H 51325 1 66 . 1 1 71 71 TYR N N 15 . 1 1 71 71 TYR H H 1 0.514 0.007 . . . 71 TYR N . 71 TYR H 51325 1 67 . 1 1 72 72 LYS N N 15 . 1 1 72 72 LYS H H 1 0.504 0.012 . . . 72 LYS N . 72 LYS H 51325 1 68 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.494 0.007 . . . 73 GLN N . 73 GLN H 51325 1 69 . 1 1 74 74 ALA N N 15 . 1 1 74 74 ALA H H 1 0.464 0.008 . . . 74 ALA N . 74 ALA H 51325 1 70 . 1 1 75 75 ARG N N 15 . 1 1 75 75 ARG H H 1 0.451 0.009 . . . 75 ARG N . 75 ARG H 51325 1 71 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.414 0.005 . . . 76 SER N . 76 SER H 51325 1 72 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 0.451 0.004 . . . 77 GLU N . 77 GLU H 51325 1 73 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.512 0.003 . . . 78 ASP N . 78 ASP H 51325 1 74 . 1 1 79 79 LYS N N 15 . 1 1 79 79 LYS H H 1 0.437 0.003 . . . 79 LYS N . 79 LYS H 51325 1 75 . 1 1 80 80 ARG N N 15 . 1 1 80 80 ARG H H 1 0.474 0.005 . . . 80 ARG N . 80 ARG H 51325 1 76 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.504 0.003 . . . 81 ALA N . 81 ALA H 51325 1 77 . 1 1 82 82 LYS N N 15 . 1 1 82 82 LYS H H 1 0.306 0.002 . . . 82 LYS N . 82 LYS H 51325 1 78 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.005 0.002 . . . 83 VAL N . 83 VAL H 51325 1 79 . 1 1 84 84 THR N N 15 . 1 1 84 84 THR H H 1 -0.076 0.001 . . . 84 THR N . 84 THR H 51325 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_Nsp8_NTD_R1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode Nsp8_NTD_R1 _Heteronucl_T1_list.Entry_ID 51325 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 13 hsqct1etf3gpsi . . . 51325 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 ALA N N 15 1.170000000 0.050000000 . . 1 ALA N 51325 1 2 . 1 1 2 2 ILE N N 15 1.234000000 0.007000000 . . 2 ILE N 51325 1 3 . 1 1 3 3 ALA N N 15 1.392000000 0.005000000 . . 3 ALA N 51325 1 4 . 1 1 4 4 SER N N 15 1.306000000 0.008000000 . . 4 SER N 51325 1 5 . 1 1 5 5 GLU N N 15 1.225000000 0.008000000 . . 5 GLU N 51325 1 6 . 1 1 6 6 PHE N N 15 1.061000000 0.009000000 . . 6 PHE N 51325 1 7 . 1 1 7 7 SER N N 15 0.844000000 0.007000000 . . 7 SER N 51325 1 8 . 1 1 8 8 SER N N 15 0.950000000 0.020000000 . . 8 SER N 51325 1 9 . 1 1 9 9 LEU N N 15 1.042000000 0.010000000 . . 9 LEU N 51325 1 10 . 1 1 11 11 SER N N 15 0.800000000 0.030000000 . . 11 SER N 51325 1 11 . 1 1 12 12 TYR N N 15 0.764000000 0.007000000 . . 12 TYR N 51325 1 12 . 1 1 13 13 ALA N N 15 0.714000000 0.007000000 . . 13 ALA N 51325 1 13 . 1 1 14 14 ALA N N 15 0.693000000 0.005000000 . . 14 ALA N 51325 1 14 . 1 1 15 15 PHE N N 15 0.640000000 0.004000000 . . 15 PHE N 51325 1 15 . 1 1 16 16 ALA N N 15 0.980000000 0.020000000 . . 16 ALA N 51325 1 16 . 1 1 17 17 THR N N 15 0.685000000 0.006000000 . . 17 THR N 51325 1 17 . 1 1 18 18 ALA N N 15 0.637000000 0.007000000 . . 18 ALA N 51325 1 18 . 1 1 19 19 GLN N N 15 0.661000000 0.005000000 . . 19 GLN N 51325 1 19 . 1 1 20 20 GLU N N 15 0.751000000 0.010000000 . . 20 GLU N 51325 1 20 . 1 1 21 21 ALA N N 15 0.759000000 0.005000000 . . 21 ALA N 51325 1 21 . 1 1 22 22 TYR N N 15 0.612000000 0.007000000 . . 22 TYR N 51325 1 22 . 1 1 23 23 GLU N N 15 0.695000000 0.008000000 . . 23 GLU N 51325 1 23 . 1 1 24 24 GLN N N 15 0.758000000 0.009000000 . . 24 GLN N 51325 1 24 . 1 1 25 25 ALA N N 15 0.638000000 0.005000000 . . 25 ALA N 51325 1 25 . 1 1 26 26 VAL N N 15 0.626000000 0.005000000 . . 26 VAL N 51325 1 26 . 1 1 27 27 ALA N N 15 0.714000000 0.007000000 . . 27 ALA N 51325 1 27 . 1 1 28 28 ASN N N 15 0.632000000 0.007000000 . . 28 ASN N 51325 1 28 . 1 1 29 29 GLY N N 15 0.596000000 0.007000000 . . 29 GLY N 51325 1 29 . 1 1 30 30 ASP N N 15 0.710000000 0.007000000 . . 30 ASP N 51325 1 30 . 1 1 31 31 SER N N 15 0.828000000 0.007000000 . . 31 SER N 51325 1 31 . 1 1 32 32 GLU N N 15 0.654000000 0.009000000 . . 32 GLU N 51325 1 32 . 1 1 33 33 VAL N N 15 0.677000000 0.006000000 . . 33 VAL N 51325 1 33 . 1 1 34 34 VAL N N 15 0.753000000 0.014000000 . . 34 VAL N 51325 1 34 . 1 1 35 35 LEU N N 15 0.610000000 0.004000000 . . 35 LEU N 51325 1 35 . 1 1 36 36 LYS N N 15 0.653000000 0.012000000 . . 36 LYS N 51325 1 36 . 1 1 37 37 LYS N N 15 0.625000000 0.005000000 . . 37 LYS N 51325 1 37 . 1 1 38 38 LEU N N 15 0.646000000 0.009000000 . . 38 LEU N 51325 1 38 . 1 1 39 39 LYS N N 15 0.601000000 0.006000000 . . 39 LYS N 51325 1 39 . 1 1 40 40 LYS N N 15 0.603000000 0.006000000 . . 40 LYS N 51325 1 40 . 1 1 41 41 SER N N 15 0.613000000 0.007000000 . . 41 SER N 51325 1 41 . 1 1 42 42 LEU N N 15 0.634000000 0.007000000 . . 42 LEU N 51325 1 42 . 1 1 43 43 ASN N N 15 0.616000000 0.012000000 . . 43 ASN N 51325 1 43 . 1 1 44 44 VAL N N 15 0.890000000 0.030000000 . . 44 VAL N 51325 1 44 . 1 1 45 45 ALA N N 15 0.657000000 0.013000000 . . 45 ALA N 51325 1 45 . 1 1 46 46 LYS N N 15 0.579000000 0.007000000 . . 46 LYS N 51325 1 46 . 1 1 47 47 SER N N 15 0.455000000 0.013000000 . . 47 SER N 51325 1 47 . 1 1 48 48 GLU N N 15 0.627000000 0.004000000 . . 48 GLU N 51325 1 48 . 1 1 49 49 PHE N N 15 0.531000000 0.013000000 . . 49 PHE N 51325 1 49 . 1 1 50 50 ASP N N 15 0.635000000 0.008000000 . . 50 ASP N 51325 1 50 . 1 1 51 51 ARG N N 15 0.663000000 0.012000000 . . 51 ARG N 51325 1 51 . 1 1 52 52 ASP N N 15 0.565000000 0.007000000 . . 52 ASP N 51325 1 52 . 1 1 53 53 ALA N N 15 0.599000000 0.008000000 . . 53 ALA N 51325 1 53 . 1 1 54 54 ALA N N 15 0.671000000 0.005000000 . . 54 ALA N 51325 1 54 . 1 1 55 55 MET N N 15 0.526000000 0.007000000 . . 55 MET N 51325 1 55 . 1 1 58 58 LYS N N 15 0.802000000 0.013000000 . . 58 LYS N 51325 1 56 . 1 1 60 60 GLU N N 15 0.880000000 0.020000000 . . 60 GLU N 51325 1 57 . 1 1 61 61 LYS N N 15 0.860000000 0.007000000 . . 61 LYS N 51325 1 58 . 1 1 63 63 ALA N N 15 1.198000000 0.013000000 . . 63 ALA N 51325 1 59 . 1 1 64 64 ASP N N 15 0.874000000 0.009000000 . . 64 ASP N 51325 1 60 . 1 1 65 65 GLN N N 15 1.030000000 0.020000000 . . 65 GLN N 51325 1 61 . 1 1 66 66 ALA N N 15 1.002000000 0.012000000 . . 66 ALA N 51325 1 62 . 1 1 67 67 MET N N 15 1.033000000 0.008000000 . . 67 MET N 51325 1 63 . 1 1 68 68 THR N N 15 1.120000000 0.020000000 . . 68 THR N 51325 1 64 . 1 1 69 69 GLN N N 15 1.126000000 0.014000000 . . 69 GLN N 51325 1 65 . 1 1 70 70 MET N N 15 1.150000000 0.020000000 . . 70 MET N 51325 1 66 . 1 1 71 71 TYR N N 15 1.177000000 0.013000000 . . 71 TYR N 51325 1 67 . 1 1 72 72 LYS N N 15 1.339000000 0.013000000 . . 72 LYS N 51325 1 68 . 1 1 73 73 GLN N N 15 1.353000000 0.007000000 . . 73 GLN N 51325 1 69 . 1 1 74 74 ALA N N 15 1.378000000 0.005000000 . . 74 ALA N 51325 1 70 . 1 1 75 75 ARG N N 15 1.383000000 0.008000000 . . 75 ARG N 51325 1 71 . 1 1 76 76 SER N N 15 1.550000000 0.030000000 . . 76 SER N 51325 1 72 . 1 1 77 77 GLU N N 15 1.566000000 0.015000000 . . 77 GLU N 51325 1 73 . 1 1 78 78 ASP N N 15 1.665000000 0.012000000 . . 78 ASP N 51325 1 74 . 1 1 79 79 LYS N N 15 1.660000000 0.020000000 . . 79 LYS N 51325 1 75 . 1 1 80 80 ARG N N 15 1.458000000 0.008000000 . . 80 ARG N 51325 1 76 . 1 1 81 81 ALA N N 15 1.718000000 0.010000000 . . 81 ALA N 51325 1 77 . 1 1 82 82 LYS N N 15 1.553000000 0.005000000 . . 82 LYS N 51325 1 78 . 1 1 83 83 VAL N N 15 1.496000000 0.010000000 . . 83 VAL N 51325 1 79 . 1 1 84 84 THR N N 15 1.340000000 0.020000000 . . 84 THR N 51325 1 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_Nsp8_NTD_R1rho _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode Nsp8_NTD_R1rho _Heteronucl_T1rho_list.Entry_ID 51325 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name . _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 800 _Heteronucl_T1rho_list.Temp_calibration_method n/a _Heteronucl_T1rho_list.Temp_control_method n/a _Heteronucl_T1rho_list.T1rho_coherence_type n/a _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units . _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 14 hsqctref3gpsi . . . 51325 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 1 1 ALA N N 15 3.300000000 0.040000000 . . . . 1 ALA N 51325 1 2 . 1 1 2 2 ILE N N 15 5.188000000 0.011000000 . . . . 2 ILE N 51325 1 3 . 1 1 3 3 ALA N N 15 7.590000000 0.020000000 . . . . 3 ALA N 51325 1 4 . 1 1 4 4 SER N N 15 9.250000000 0.040000000 . . . . 4 SER N 51325 1 5 . 1 1 5 5 GLU N N 15 13.530000000 0.130000000 . . . . 5 GLU N 51325 1 6 . 1 1 6 6 PHE N N 15 20.500000000 0.130000000 . . . . 6 PHE N 51325 1 7 . 1 1 7 7 SER N N 15 22.200000000 0.300000000 . . . . 7 SER N 51325 1 8 . 1 1 8 8 SER N N 15 22.700000000 0.400000000 . . . . 8 SER N 51325 1 9 . 1 1 9 9 LEU N N 15 17.720000000 0.100000000 . . . . 9 LEU N 51325 1 10 . 1 1 11 11 SER N N 15 21.000000000 2.000000000 . . . . 11 SER N 51325 1 11 . 1 1 12 12 TYR N N 15 24.800000000 0.800000000 . . . . 12 TYR N 51325 1 12 . 1 1 13 13 ALA N N 15 23.700000000 0.400000000 . . . . 13 ALA N 51325 1 13 . 1 1 14 14 ALA N N 15 26.300000000 0.200000000 . . . . 14 ALA N 51325 1 14 . 1 1 15 15 PHE N N 15 27.000000000 0.300000000 . . . . 15 PHE N 51325 1 15 . 1 1 16 16 ALA N N 15 7.100000000 0.800000000 . . . . 16 ALA N 51325 1 16 . 1 1 17 17 THR N N 15 24.200000000 0.200000000 . . . . 17 THR N 51325 1 17 . 1 1 18 18 ALA N N 15 27.500000000 0.500000000 . . . . 18 ALA N 51325 1 18 . 1 1 19 19 GLN N N 15 26.500000000 0.400000000 . . . . 19 GLN N 51325 1 19 . 1 1 20 20 GLU N N 15 24.700000000 0.400000000 . . . . 20 GLU N 51325 1 20 . 1 1 21 21 ALA N N 15 24.700000000 0.500000000 . . . . 21 ALA N 51325 1 21 . 1 1 22 22 TYR N N 15 28.300000000 0.300000000 . . . . 22 TYR N 51325 1 22 . 1 1 23 23 GLU N N 15 25.600000000 0.300000000 . . . . 23 GLU N 51325 1 23 . 1 1 24 24 GLN N N 15 24.000000000 0.300000000 . . . . 24 GLN N 51325 1 24 . 1 1 25 25 ALA N N 15 27.700000000 0.400000000 . . . . 25 ALA N 51325 1 25 . 1 1 26 26 VAL N N 15 26.600000000 0.300000000 . . . . 26 VAL N 51325 1 26 . 1 1 27 27 ALA N N 15 18.400000000 0.800000000 . . . . 27 ALA N 51325 1 27 . 1 1 28 28 ASN N N 15 21.900000000 0.200000000 . . . . 28 ASN N 51325 1 28 . 1 1 29 29 GLY N N 15 24.300000000 0.200000000 . . . . 29 GLY N 51325 1 29 . 1 1 30 30 ASP N N 15 25.300000000 0.300000000 . . . . 30 ASP N 51325 1 30 . 1 1 31 31 SER N N 15 15.340000000 0.110000000 . . . . 31 SER N 51325 1 31 . 1 1 32 32 GLU N N 15 24.700000000 0.700000000 . . . . 32 GLU N 51325 1 32 . 1 1 33 33 VAL N N 15 25.190000000 0.110000000 . . . . 33 VAL N 51325 1 33 . 1 1 34 34 VAL N N 15 22.900000000 0.200000000 . . . . 34 VAL N 51325 1 34 . 1 1 35 35 LEU N N 15 27.400000000 0.500000000 . . . . 35 LEU N 51325 1 35 . 1 1 36 36 LYS N N 15 24.500000000 1.400000000 . . . . 36 LYS N 51325 1 36 . 1 1 37 37 LYS N N 15 27.100000000 0.200000000 . . . . 37 LYS N 51325 1 37 . 1 1 38 38 LEU N N 15 28.800000000 0.400000000 . . . . 38 LEU N 51325 1 38 . 1 1 39 39 LYS N N 15 28.400000000 0.500000000 . . . . 39 LYS N 51325 1 39 . 1 1 40 40 LYS N N 15 29.100000000 0.400000000 . . . . 40 LYS N 51325 1 40 . 1 1 41 41 SER N N 15 26.800000000 0.300000000 . . . . 41 SER N 51325 1 41 . 1 1 42 42 LEU N N 15 28.400000000 0.700000000 . . . . 42 LEU N 51325 1 42 . 1 1 43 43 ASN N N 15 30.200000000 0.300000000 . . . . 43 ASN N 51325 1 43 . 1 1 44 44 VAL N N 15 16.200000000 0.900000000 . . . . 44 VAL N 51325 1 44 . 1 1 45 45 ALA N N 15 30.800000000 0.600000000 . . . . 45 ALA N 51325 1 45 . 1 1 46 46 LYS N N 15 32.000000000 0.600000000 . . . . 46 LYS N 51325 1 46 . 1 1 47 47 SER N N 15 27.400000000 0.300000000 . . . . 47 SER N 51325 1 47 . 1 1 48 48 GLU N N 15 30.700000000 0.300000000 . . . . 48 GLU N 51325 1 48 . 1 1 49 49 PHE N N 15 27.400000000 0.400000000 . . . . 49 PHE N 51325 1 49 . 1 1 50 50 ASP N N 15 30.500000000 0.500000000 . . . . 50 ASP N 51325 1 50 . 1 1 51 51 ARG N N 15 27.900000000 0.900000000 . . . . 51 ARG N 51325 1 51 . 1 1 52 52 ASP N N 15 32.600000000 0.600000000 . . . . 52 ASP N 51325 1 52 . 1 1 53 53 ALA N N 15 29.800000000 1.000000000 . . . . 53 ALA N 51325 1 53 . 1 1 54 54 ALA N N 15 25.700000000 0.400000000 . . . . 54 ALA N 51325 1 54 . 1 1 55 55 MET N N 15 36.500000000 1.200000000 . . . . 55 MET N 51325 1 55 . 1 1 58 58 LYS N N 15 28.000000000 0.500000000 . . . . 58 LYS N 51325 1 56 . 1 1 60 60 GLU N N 15 19.100000000 0.800000000 . . . . 60 GLU N 51325 1 57 . 1 1 61 61 LYS N N 15 21.000000000 0.300000000 . . . . 61 LYS N 51325 1 58 . 1 1 63 63 ALA N N 15 19.500000000 0.300000000 . . . . 63 ALA N 51325 1 59 . 1 1 64 64 ASP N N 15 21.300000000 0.200000000 . . . . 64 ASP N 51325 1 60 . 1 1 65 65 GLN N N 15 21.900000000 0.300000000 . . . . 65 GLN N 51325 1 61 . 1 1 66 66 ALA N N 15 25.000000000 0.600000000 . . . . 66 ALA N 51325 1 62 . 1 1 67 67 MET N N 15 20.430000000 0.130000000 . . . . 67 MET N 51325 1 63 . 1 1 68 68 THR N N 15 17.360000000 0.090000000 . . . . 68 THR N 51325 1 64 . 1 1 69 69 GLN N N 15 7.900000000 0.500000000 . . . . 69 GLN N 51325 1 65 . 1 1 70 70 MET N N 15 16.800000000 0.300000000 . . . . 70 MET N 51325 1 66 . 1 1 71 71 TYR N N 15 17.030000000 0.070000000 . . . . 71 TYR N 51325 1 67 . 1 1 72 72 LYS N N 15 14.750000000 0.070000000 . . . . 72 LYS N 51325 1 68 . 1 1 73 73 GLN N N 15 12.300000000 0.040000000 . . . . 73 GLN N 51325 1 69 . 1 1 74 74 ALA N N 15 11.000000000 0.200000000 . . . . 74 ALA N 51325 1 70 . 1 1 75 75 ARG N N 15 9.990000000 0.090000000 . . . . 75 ARG N 51325 1 71 . 1 1 76 76 SER N N 15 8.220000000 0.070000000 . . . . 76 SER N 51325 1 72 . 1 1 77 77 GLU N N 15 7.130000000 0.060000000 . . . . 77 GLU N 51325 1 73 . 1 1 78 78 ASP N N 15 6.310000000 0.040000000 . . . . 78 ASP N 51325 1 74 . 1 1 79 79 LYS N N 15 5.440000000 0.020000000 . . . . 79 LYS N 51325 1 75 . 1 1 80 80 ARG N N 15 5.520000000 0.090000000 . . . . 80 ARG N 51325 1 76 . 1 1 81 81 ALA N N 15 4.180000000 0.020000000 . . . . 81 ALA N 51325 1 77 . 1 1 82 82 LYS N N 15 3.329000000 0.009000000 . . . . 82 LYS N 51325 1 78 . 1 1 83 83 VAL N N 15 2.691000000 0.010000000 . . . . 83 VAL N 51325 1 79 . 1 1 84 84 THR N N 15 2.217000000 0.005000000 . . . . 84 THR N 51325 1 stop_ save_