data_19845 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19845 _Entry.Title ; Structure of a Conserved Golgi Complex-targeting Signal in Coronavirus Envelope Proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-09 _Entry.Accession_date 2014-03-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Yan Li . . . 19845 2 Wahyu Surya . . . 19845 3 Stephanie Claudine . . . 19845 4 Jaume Torres . . . 19845 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19845 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'envelope protein' . 19845 'membrane protein' . 19845 'SARS coronavirus' . 19845 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19845 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 260 19845 '15N chemical shifts' 63 19845 '1H chemical shifts' 461 19845 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 . . 2014-06-05 2014-03-09 update BMRB 'update entry citation' 19845 1 . . 2014-03-31 2014-03-09 original author 'original release' 19845 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MM4 'BMRB Entry Tracking System' 19845 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19845 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24668816 _Citation.Full_citation . _Citation.Title 'Structure of a Conserved Golgi Complex-targeting Signal in Coronavirus Envelope Proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12535 _Citation.Page_last 12549 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Yan Li . . . 19845 1 2 Wahyu Surya . . . 19845 1 3 Stephanie Claudine . . . 19845 1 4 Jaume Torres . . . 19845 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19845 _Assembly.ID 1 _Assembly.Name 'Coronavirus Envelope Proteins-1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Coronavirus Envelope Proteins-1' 1 $entity A . yes native no no . . . 19845 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19845 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ETGTLIVNSVLLFLAFVVFL LVTLAILTALRLAAYAANIV NVSLVKPTVYVYSRVKNL ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6066.473 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; ETGTLIVNSVLLFLAFVVFL LVTLAILTALRLAAYAANIV NVSLVKPTVYVYSRVKNL(P L)(LL5)(LL5)(LL5)(LL 5)(LL5)(ORI)(LL5)(LL 5)(LL5)(LL5)(LL5)(OR I) ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MM4 . "Structure Of A Conserved Golgi Complex-targeting Signal In Coronavirus Envelope Proteins" . . . . . 100.00 58 100.00 100.00 7.47e-28 . . . . 19845 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 8 GLU . 19845 1 2 9 THR . 19845 1 3 10 GLY . 19845 1 4 11 THR . 19845 1 5 12 LEU . 19845 1 6 13 ILE . 19845 1 7 14 VAL . 19845 1 8 15 ASN . 19845 1 9 16 SER . 19845 1 10 17 VAL . 19845 1 11 18 LEU . 19845 1 12 19 LEU . 19845 1 13 20 PHE . 19845 1 14 21 LEU . 19845 1 15 22 ALA . 19845 1 16 23 PHE . 19845 1 17 24 VAL . 19845 1 18 25 VAL . 19845 1 19 26 PHE . 19845 1 20 27 LEU . 19845 1 21 28 LEU . 19845 1 22 29 VAL . 19845 1 23 30 THR . 19845 1 24 31 LEU . 19845 1 25 32 ALA . 19845 1 26 33 ILE . 19845 1 27 34 LEU . 19845 1 28 35 THR . 19845 1 29 36 ALA . 19845 1 30 37 LEU . 19845 1 31 38 ARG . 19845 1 32 39 LEU . 19845 1 33 40 ALA . 19845 1 34 41 ALA . 19845 1 35 42 TYR . 19845 1 36 43 ALA . 19845 1 37 44 ALA . 19845 1 38 45 ASN . 19845 1 39 46 ILE . 19845 1 40 47 VAL . 19845 1 41 48 ASN . 19845 1 42 49 VAL . 19845 1 43 50 SER . 19845 1 44 51 LEU . 19845 1 45 52 VAL . 19845 1 46 53 LYS . 19845 1 47 54 PRO . 19845 1 48 55 THR . 19845 1 49 56 VAL . 19845 1 50 57 TYR . 19845 1 51 58 VAL . 19845 1 52 59 TYR . 19845 1 53 60 SER . 19845 1 54 61 ARG . 19845 1 55 62 VAL . 19845 1 56 63 LYS . 19845 1 57 64 ASN . 19845 1 58 65 LEU . 19845 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 . GLU 1 1 19845 1 . THR 2 2 19845 1 . GLY 3 3 19845 1 . THR 4 4 19845 1 . LEU 5 5 19845 1 . ILE 6 6 19845 1 . VAL 7 7 19845 1 . ASN 8 8 19845 1 . SER 9 9 19845 1 . VAL 10 10 19845 1 . LEU 11 11 19845 1 . LEU 12 12 19845 1 . PHE 13 13 19845 1 . LEU 14 14 19845 1 . ALA 15 15 19845 1 . PHE 16 16 19845 1 . VAL 17 17 19845 1 . VAL 18 18 19845 1 . PHE 19 19 19845 1 . LEU 20 20 19845 1 . LEU 21 21 19845 1 . VAL 22 22 19845 1 . THR 23 23 19845 1 . LEU 24 24 19845 1 . ALA 25 25 19845 1 . ILE 26 26 19845 1 . LEU 27 27 19845 1 . THR 28 28 19845 1 . ALA 29 29 19845 1 . LEU 30 30 19845 1 . ARG 31 31 19845 1 . LEU 32 32 19845 1 . ALA 33 33 19845 1 . ALA 34 34 19845 1 . TYR 35 35 19845 1 . ALA 36 36 19845 1 . ALA 37 37 19845 1 . ASN 38 38 19845 1 . ILE 39 39 19845 1 . VAL 40 40 19845 1 . ASN 41 41 19845 1 . VAL 42 42 19845 1 . SER 43 43 19845 1 . LEU 44 44 19845 1 . VAL 45 45 19845 1 . LYS 46 46 19845 1 . PRO 47 47 19845 1 . THR 48 48 19845 1 . VAL 49 49 19845 1 . TYR 50 50 19845 1 . VAL 51 51 19845 1 . TYR 52 52 19845 1 . SER 53 53 19845 1 . ARG 54 54 19845 1 . VAL 55 55 19845 1 . LYS 56 56 19845 1 . ASN 57 57 19845 1 . LEU 58 58 19845 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19845 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . . organism . Coronavirus Coronavirus . . viruses . . . . . . . . . . . . . . . . . . . . . . . . 19845 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19845 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTBMalE . . . . . . 19845 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SARS_Etr _Sample.Sf_category sample _Sample.Sf_framecode SARS_Etr _Sample.Entry_ID 19845 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Coronavirus Envelope Proteins' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 19845 1 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 19845 1 3 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19845 1 4 SDS 'natural abundance' . . . . . . 50 . . mM . . . . 19845 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19845 1 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19845 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 19845 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 19845 1 pH 5.5 . pH 19845 1 pressure 1 . atm 19845 1 temperature 318 . K 19845 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19845 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19845 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19845 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19845 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19845 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19845 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19845 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19845 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19845 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19845 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19845 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 19845 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19845 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $SARS_Etr isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19845 1 2 '3D HNCA' no . . . . . . . . . . 1 $SARS_Etr isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19845 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $SARS_Etr isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19845 1 4 '3D HNCO' no . . . . . . . . . . 1 $SARS_Etr isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19845 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $SARS_Etr isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19845 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $SARS_Etr isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19845 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $SARS_Etr isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19845 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $SARS_Etr isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19845 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19845 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 19845 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19845 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 19845 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19845 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19845 1 2 '3D HNCA' . . . 19845 1 3 '3D HN(CO)CA' . . . 19845 1 4 '3D HNCO' . . . 19845 1 5 '3D HCCH-TOCSY' . . . 19845 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 $CARA . . 19845 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 GLU H H 1 8.117 0.020 . . . . . A 8 GLU H1 . 19845 1 2 . 1 1 1 1 GLU HA H 1 4.294 0.020 . . . . . A 8 GLU HA . 19845 1 3 . 1 1 1 1 GLU HB2 H 1 2.062 0.020 . . . . . A 8 GLU HB2 . 19845 1 4 . 1 1 1 1 GLU HB3 H 1 1.950 0.020 . . . . . A 8 GLU HB3 . 19845 1 5 . 1 1 1 1 GLU HG2 H 1 2.308 0.020 . . . . . A 8 GLU HG2 . 19845 1 6 . 1 1 1 1 GLU HG3 H 1 2.253 0.020 . . . . . A 8 GLU HG3 . 19845 1 7 . 1 1 1 1 GLU C C 13 174.138 0.300 . . . . . A 8 GLU C . 19845 1 8 . 1 1 1 1 GLU CA C 13 56.779 0.300 . . . . . A 8 GLU CA . 19845 1 9 . 1 1 1 1 GLU CB C 13 29.545 0.300 . . . . . A 8 GLU CB . 19845 1 10 . 1 1 1 1 GLU CG C 13 34.845 0.300 . . . . . A 8 GLU CG . 19845 1 11 . 1 1 1 1 GLU N N 15 120.937 0.300 . . . . . A 8 GLU N . 19845 1 12 . 1 1 2 2 THR H H 1 7.930 0.020 . . . . . A 9 THR H . 19845 1 13 . 1 1 2 2 THR HA H 1 4.213 0.020 . . . . . A 9 THR HA . 19845 1 14 . 1 1 2 2 THR HB H 1 4.217 0.020 . . . . . A 9 THR HB . 19845 1 15 . 1 1 2 2 THR HG21 H 1 1.174 0.020 . . . . . A 9 THR HG21 . 19845 1 16 . 1 1 2 2 THR HG22 H 1 1.174 0.020 . . . . . A 9 THR HG22 . 19845 1 17 . 1 1 2 2 THR HG23 H 1 1.174 0.020 . . . . . A 9 THR HG23 . 19845 1 18 . 1 1 2 2 THR C C 13 172.757 0.300 . . . . . A 9 THR C . 19845 1 19 . 1 1 2 2 THR CA C 13 62.810 0.300 . . . . . A 9 THR CA . 19845 1 20 . 1 1 2 2 THR CB C 13 69.878 0.300 . . . . . A 9 THR CB . 19845 1 21 . 1 1 2 2 THR CG2 C 13 21.852 0.300 . . . . . A 9 THR CG2 . 19845 1 22 . 1 1 2 2 THR N N 15 113.692 0.300 . . . . . A 9 THR N . 19845 1 23 . 1 1 3 3 GLY H H 1 8.266 0.020 . . . . . A 10 GLY H . 19845 1 24 . 1 1 3 3 GLY HA2 H 1 4.011 0.020 . . . . . A 10 GLY HA2 . 19845 1 25 . 1 1 3 3 GLY HA3 H 1 3.903 0.020 . . . . . A 10 GLY HA3 . 19845 1 26 . 1 1 3 3 GLY C C 13 171.923 0.300 . . . . . A 10 GLY C . 19845 1 27 . 1 1 3 3 GLY CA C 13 46.099 0.300 . . . . . A 10 GLY CA . 19845 1 28 . 1 1 3 3 GLY N N 15 110.842 0.300 . . . . . A 10 GLY N . 19845 1 29 . 1 1 4 4 THR H H 1 7.753 0.020 . . . . . A 11 THR H . 19845 1 30 . 1 1 4 4 THR HA H 1 4.220 0.020 . . . . . A 11 THR HA . 19845 1 31 . 1 1 4 4 THR HB H 1 4.217 0.020 . . . . . A 11 THR HB . 19845 1 32 . 1 1 4 4 THR HG21 H 1 1.147 0.020 . . . . . A 11 THR HG21 . 19845 1 33 . 1 1 4 4 THR HG22 H 1 1.147 0.020 . . . . . A 11 THR HG22 . 19845 1 34 . 1 1 4 4 THR HG23 H 1 1.147 0.020 . . . . . A 11 THR HG23 . 19845 1 35 . 1 1 4 4 THR C C 13 171.906 0.300 . . . . . A 11 THR C . 19845 1 36 . 1 1 4 4 THR CA C 13 62.721 0.300 . . . . . A 11 THR CA . 19845 1 37 . 1 1 4 4 THR CB C 13 69.549 0.300 . . . . . A 11 THR CB . 19845 1 38 . 1 1 4 4 THR CG2 C 13 22.103 0.300 . . . . . A 11 THR CG2 . 19845 1 39 . 1 1 4 4 THR N N 15 113.754 0.300 . . . . . A 11 THR N . 19845 1 40 . 1 1 5 5 LEU H H 1 7.980 0.020 . . . . . A 12 LEU H . 19845 1 41 . 1 1 5 5 LEU HA H 1 4.240 0.020 . . . . . A 12 LEU HA . 19845 1 42 . 1 1 5 5 LEU HB2 H 1 1.660 0.020 . . . . . A 12 LEU HB2 . 19845 1 43 . 1 1 5 5 LEU HB3 H 1 1.495 0.020 . . . . . A 12 LEU HB3 . 19845 1 44 . 1 1 5 5 LEU HG H 1 1.571 0.020 . . . . . A 12 LEU HG . 19845 1 45 . 1 1 5 5 LEU HD11 H 1 0.877 0.020 . . . . . A 12 LEU HD11 . 19845 1 46 . 1 1 5 5 LEU HD12 H 1 0.877 0.020 . . . . . A 12 LEU HD12 . 19845 1 47 . 1 1 5 5 LEU HD13 H 1 0.877 0.020 . . . . . A 12 LEU HD13 . 19845 1 48 . 1 1 5 5 LEU HD21 H 1 0.835 0.020 . . . . . A 12 LEU HD21 . 19845 1 49 . 1 1 5 5 LEU HD22 H 1 0.835 0.020 . . . . . A 12 LEU HD22 . 19845 1 50 . 1 1 5 5 LEU HD23 H 1 0.835 0.020 . . . . . A 12 LEU HD23 . 19845 1 51 . 1 1 5 5 LEU C C 13 175.221 0.300 . . . . . A 12 LEU C . 19845 1 52 . 1 1 5 5 LEU CA C 13 56.799 0.300 . . . . . A 12 LEU CA . 19845 1 53 . 1 1 5 5 LEU CB C 13 42.536 0.300 . . . . . A 12 LEU CB . 19845 1 54 . 1 1 5 5 LEU CG C 13 27.295 0.300 . . . . . A 12 LEU CG . 19845 1 55 . 1 1 5 5 LEU CD1 C 13 25.111 0.300 . . . . . A 12 LEU CD1 . 19845 1 56 . 1 1 5 5 LEU CD2 C 13 25.000 0.300 . . . . . A 12 LEU CD2 . 19845 1 57 . 1 1 5 5 LEU N N 15 123.669 0.300 . . . . . A 12 LEU N . 19845 1 58 . 1 1 6 6 ILE H H 1 7.861 0.020 . . . . . A 13 ILE H . 19845 1 59 . 1 1 6 6 ILE HA H 1 3.913 0.020 . . . . . A 13 ILE HA . 19845 1 60 . 1 1 6 6 ILE HB H 1 1.880 0.020 . . . . . A 13 ILE HB . 19845 1 61 . 1 1 6 6 ILE HG12 H 1 1.511 0.020 . . . . . A 13 ILE HG12 . 19845 1 62 . 1 1 6 6 ILE HG13 H 1 1.084 0.020 . . . . . A 13 ILE HG13 . 19845 1 63 . 1 1 6 6 ILE HG21 H 1 0.826 0.020 . . . . . A 13 ILE HG21 . 19845 1 64 . 1 1 6 6 ILE HG22 H 1 0.826 0.020 . . . . . A 13 ILE HG22 . 19845 1 65 . 1 1 6 6 ILE HG23 H 1 0.826 0.020 . . . . . A 13 ILE HG23 . 19845 1 66 . 1 1 6 6 ILE HD11 H 1 0.796 0.020 . . . . . A 13 ILE HD11 . 19845 1 67 . 1 1 6 6 ILE HD12 H 1 0.796 0.020 . . . . . A 13 ILE HD12 . 19845 1 68 . 1 1 6 6 ILE HD13 H 1 0.796 0.020 . . . . . A 13 ILE HD13 . 19845 1 69 . 1 1 6 6 ILE C C 13 173.425 0.300 . . . . . A 13 ILE C . 19845 1 70 . 1 1 6 6 ILE CA C 13 62.889 0.300 . . . . . A 13 ILE CA . 19845 1 71 . 1 1 6 6 ILE CB C 13 38.249 0.300 . . . . . A 13 ILE CB . 19845 1 72 . 1 1 6 6 ILE CG1 C 13 28.368 0.300 . . . . . A 13 ILE CG1 . 19845 1 73 . 1 1 6 6 ILE CG2 C 13 17.524 0.300 . . . . . A 13 ILE CG2 . 19845 1 74 . 1 1 6 6 ILE CD1 C 13 13.103 0.300 . . . . . A 13 ILE CD1 . 19845 1 75 . 1 1 6 6 ILE N N 15 120.086 0.300 . . . . . A 13 ILE N . 19845 1 76 . 1 1 7 7 VAL H H 1 7.549 0.020 . . . . . A 14 VAL H . 19845 1 77 . 1 1 7 7 VAL HA H 1 3.790 0.020 . . . . . A 14 VAL HA . 19845 1 78 . 1 1 7 7 VAL HB H 1 2.050 0.020 . . . . . A 14 VAL HB . 19845 1 79 . 1 1 7 7 VAL HG11 H 1 0.871 0.020 . . . . . A 14 VAL HG11 . 19845 1 80 . 1 1 7 7 VAL HG12 H 1 0.871 0.020 . . . . . A 14 VAL HG12 . 19845 1 81 . 1 1 7 7 VAL HG13 H 1 0.871 0.020 . . . . . A 14 VAL HG13 . 19845 1 82 . 1 1 7 7 VAL HG21 H 1 0.934 0.020 . . . . . A 14 VAL HG21 . 19845 1 83 . 1 1 7 7 VAL HG22 H 1 0.934 0.020 . . . . . A 14 VAL HG22 . 19845 1 84 . 1 1 7 7 VAL HG23 H 1 0.934 0.020 . . . . . A 14 VAL HG23 . 19845 1 85 . 1 1 7 7 VAL C C 13 173.429 0.300 . . . . . A 14 VAL C . 19845 1 86 . 1 1 7 7 VAL CA C 13 64.409 0.300 . . . . . A 14 VAL CA . 19845 1 87 . 1 1 7 7 VAL CB C 13 32.007 0.300 . . . . . A 14 VAL CB . 19845 1 88 . 1 1 7 7 VAL CG1 C 13 21.232 0.300 . . . . . A 14 VAL CG1 . 19845 1 89 . 1 1 7 7 VAL CG2 C 13 21.830 0.300 . . . . . A 14 VAL CG2 . 19845 1 90 . 1 1 7 7 VAL N N 15 119.785 0.300 . . . . . A 14 VAL N . 19845 1 91 . 1 1 8 8 ASN H H 1 8.010 0.020 . . . . . A 15 ASN H . 19845 1 92 . 1 1 8 8 ASN HA H 1 4.549 0.020 . . . . . A 15 ASN HA . 19845 1 93 . 1 1 8 8 ASN HB2 H 1 2.860 0.020 . . . . . A 15 ASN HB2 . 19845 1 94 . 1 1 8 8 ASN HB3 H 1 2.703 0.020 . . . . . A 15 ASN HB3 . 19845 1 95 . 1 1 8 8 ASN HD21 H 1 7.439 0.020 . . . . . A 15 ASN HD21 . 19845 1 96 . 1 1 8 8 ASN HD22 H 1 6.733 0.020 . . . . . A 15 ASN HD22 . 19845 1 97 . 1 1 8 8 ASN C C 13 173.619 0.300 . . . . . A 15 ASN C . 19845 1 98 . 1 1 8 8 ASN CA C 13 54.805 0.300 . . . . . A 15 ASN CA . 19845 1 99 . 1 1 8 8 ASN CB C 13 38.824 0.300 . . . . . A 15 ASN CB . 19845 1 100 . 1 1 8 8 ASN N N 15 119.567 0.300 . . . . . A 15 ASN N . 19845 1 101 . 1 1 8 8 ASN ND2 N 15 113.209 0.300 . . . . . A 15 ASN ND2 . 19845 1 102 . 1 1 9 9 SER H H 1 8.039 0.020 . . . . . A 16 SER H . 19845 1 103 . 1 1 9 9 SER HA H 1 4.177 0.020 . . . . . A 16 SER HA . 19845 1 104 . 1 1 9 9 SER HB2 H 1 3.795 0.020 . . . . . A 16 SER HB2 . 19845 1 105 . 1 1 9 9 SER HB3 H 1 3.795 0.020 . . . . . A 16 SER HB3 . 19845 1 106 . 1 1 9 9 SER CA C 13 61.705 0.300 . . . . . A 16 SER CA . 19845 1 107 . 1 1 9 9 SER CB C 13 63.752 0.300 . . . . . A 16 SER CB . 19845 1 108 . 1 1 9 9 SER N N 15 116.730 0.300 . . . . . A 16 SER N . 19845 1 109 . 1 1 10 10 VAL H H 1 7.896 0.020 . . . . . A 17 VAL H . 19845 1 110 . 1 1 10 10 VAL HA H 1 3.677 0.020 . . . . . A 17 VAL HA . 19845 1 111 . 1 1 10 10 VAL HB H 1 2.185 0.020 . . . . . A 17 VAL HB . 19845 1 112 . 1 1 10 10 VAL HG11 H 1 1.019 0.020 . . . . . A 17 VAL HG11 . 19845 1 113 . 1 1 10 10 VAL HG12 H 1 1.019 0.020 . . . . . A 17 VAL HG12 . 19845 1 114 . 1 1 10 10 VAL HG13 H 1 1.019 0.020 . . . . . A 17 VAL HG13 . 19845 1 115 . 1 1 10 10 VAL HG21 H 1 0.937 0.020 . . . . . A 17 VAL HG21 . 19845 1 116 . 1 1 10 10 VAL HG22 H 1 0.937 0.020 . . . . . A 17 VAL HG22 . 19845 1 117 . 1 1 10 10 VAL HG23 H 1 0.937 0.020 . . . . . A 17 VAL HG23 . 19845 1 118 . 1 1 10 10 VAL C C 13 174.474 0.300 . . . . . A 17 VAL C . 19845 1 119 . 1 1 10 10 VAL CA C 13 66.671 0.300 . . . . . A 17 VAL CA . 19845 1 120 . 1 1 10 10 VAL CB C 13 31.531 0.300 . . . . . A 17 VAL CB . 19845 1 121 . 1 1 10 10 VAL CG1 C 13 23.154 0.300 . . . . . A 17 VAL CG1 . 19845 1 122 . 1 1 10 10 VAL CG2 C 13 21.471 0.300 . . . . . A 17 VAL CG2 . 19845 1 123 . 1 1 10 10 VAL N N 15 122.062 0.300 . . . . . A 17 VAL N . 19845 1 124 . 1 1 11 11 LEU H H 1 7.857 0.020 . . . . . A 18 LEU H . 19845 1 125 . 1 1 11 11 LEU HA H 1 3.998 0.020 . . . . . A 18 LEU HA . 19845 1 126 . 1 1 11 11 LEU HB2 H 1 1.867 0.020 . . . . . A 18 LEU HB2 . 19845 1 127 . 1 1 11 11 LEU HB3 H 1 1.472 0.020 . . . . . A 18 LEU HB3 . 19845 1 128 . 1 1 11 11 LEU HG H 1 1.802 0.020 . . . . . A 18 LEU HG . 19845 1 129 . 1 1 11 11 LEU HD11 H 1 0.915 0.020 . . . . . A 18 LEU HD11 . 19845 1 130 . 1 1 11 11 LEU HD12 H 1 0.915 0.020 . . . . . A 18 LEU HD12 . 19845 1 131 . 1 1 11 11 LEU HD13 H 1 0.915 0.020 . . . . . A 18 LEU HD13 . 19845 1 132 . 1 1 11 11 LEU HD21 H 1 0.841 0.020 . . . . . A 18 LEU HD21 . 19845 1 133 . 1 1 11 11 LEU HD22 H 1 0.841 0.020 . . . . . A 18 LEU HD22 . 19845 1 134 . 1 1 11 11 LEU HD23 H 1 0.841 0.020 . . . . . A 18 LEU HD23 . 19845 1 135 . 1 1 11 11 LEU C C 13 175.511 0.300 . . . . . A 18 LEU C . 19845 1 136 . 1 1 11 11 LEU CA C 13 58.107 0.300 . . . . . A 18 LEU CA . 19845 1 137 . 1 1 11 11 LEU CB C 13 41.593 0.300 . . . . . A 18 LEU CB . 19845 1 138 . 1 1 11 11 LEU CG C 13 27.220 0.300 . . . . . A 18 LEU CG . 19845 1 139 . 1 1 11 11 LEU CD1 C 13 25.612 0.300 . . . . . A 18 LEU CD1 . 19845 1 140 . 1 1 11 11 LEU CD2 C 13 23.558 0.300 . . . . . A 18 LEU CD2 . 19845 1 141 . 1 1 11 11 LEU N N 15 119.103 0.300 . . . . . A 18 LEU N . 19845 1 142 . 1 1 12 12 LEU H H 1 7.745 0.020 . . . . . A 19 LEU H . 19845 1 143 . 1 1 12 12 LEU HA H 1 4.152 0.020 . . . . . A 19 LEU HA . 19845 1 144 . 1 1 12 12 LEU HB2 H 1 1.750 0.020 . . . . . A 19 LEU HB2 . 19845 1 145 . 1 1 12 12 LEU HB3 H 1 1.569 0.020 . . . . . A 19 LEU HB3 . 19845 1 146 . 1 1 12 12 LEU HG H 1 1.663 0.020 . . . . . A 19 LEU HG . 19845 1 147 . 1 1 12 12 LEU HD11 H 1 0.849 0.020 . . . . . A 19 LEU HD11 . 19845 1 148 . 1 1 12 12 LEU HD12 H 1 0.849 0.020 . . . . . A 19 LEU HD12 . 19845 1 149 . 1 1 12 12 LEU HD13 H 1 0.849 0.020 . . . . . A 19 LEU HD13 . 19845 1 150 . 1 1 12 12 LEU C C 13 175.156 0.300 . . . . . A 19 LEU C . 19845 1 151 . 1 1 12 12 LEU CA C 13 58.011 0.300 . . . . . A 19 LEU CA . 19845 1 152 . 1 1 12 12 LEU CB C 13 42.027 0.300 . . . . . A 19 LEU CB . 19845 1 153 . 1 1 12 12 LEU CG C 13 27.218 0.300 . . . . . A 19 LEU CG . 19845 1 154 . 1 1 12 12 LEU CD1 C 13 25.040 0.300 . . . . . A 19 LEU CD1 . 19845 1 155 . 1 1 12 12 LEU N N 15 118.291 0.300 . . . . . A 19 LEU N . 19845 1 156 . 1 1 13 13 PHE H H 1 8.002 0.020 . . . . . A 20 PHE H . 19845 1 157 . 1 1 13 13 PHE HA H 1 4.188 0.020 . . . . . A 20 PHE HA . 19845 1 158 . 1 1 13 13 PHE HB2 H 1 3.239 0.020 . . . . . A 20 PHE HB2 . 19845 1 159 . 1 1 13 13 PHE HB3 H 1 3.134 0.020 . . . . . A 20 PHE HB3 . 19845 1 160 . 1 1 13 13 PHE HD1 H 1 7.032 0.020 . . . . . A 20 PHE HD1 . 19845 1 161 . 1 1 13 13 PHE HD2 H 1 7.032 0.020 . . . . . A 20 PHE HD2 . 19845 1 162 . 1 1 13 13 PHE HE1 H 1 6.965 0.020 . . . . . A 20 PHE HE1 . 19845 1 163 . 1 1 13 13 PHE HE2 H 1 6.965 0.020 . . . . . A 20 PHE HE2 . 19845 1 164 . 1 1 13 13 PHE C C 13 174.260 0.300 . . . . . A 20 PHE C . 19845 1 165 . 1 1 13 13 PHE CA C 13 61.626 0.300 . . . . . A 20 PHE CA . 19845 1 166 . 1 1 13 13 PHE CB C 13 38.643 0.300 . . . . . A 20 PHE CB . 19845 1 167 . 1 1 13 13 PHE CD1 C 13 131.983 0.300 . . . . . A 20 PHE CD1 . 19845 1 168 . 1 1 13 13 PHE CE1 C 13 131.000 0.300 . . . . . A 20 PHE CE1 . 19845 1 169 . 1 1 13 13 PHE N N 15 118.415 0.300 . . . . . A 20 PHE N . 19845 1 170 . 1 1 14 14 LEU H H 1 8.456 0.020 . . . . . A 21 LEU H . 19845 1 171 . 1 1 14 14 LEU HA H 1 3.797 0.020 . . . . . A 21 LEU HA . 19845 1 172 . 1 1 14 14 LEU HB2 H 1 1.885 0.020 . . . . . A 21 LEU HB2 . 19845 1 173 . 1 1 14 14 LEU HB3 H 1 1.783 0.020 . . . . . A 21 LEU HB3 . 19845 1 174 . 1 1 14 14 LEU HG H 1 1.928 0.020 . . . . . A 21 LEU HG . 19845 1 175 . 1 1 14 14 LEU HD11 H 1 0.808 0.020 . . . . . A 21 LEU HD11 . 19845 1 176 . 1 1 14 14 LEU HD12 H 1 0.808 0.020 . . . . . A 21 LEU HD12 . 19845 1 177 . 1 1 14 14 LEU HD13 H 1 0.808 0.020 . . . . . A 21 LEU HD13 . 19845 1 178 . 1 1 14 14 LEU HD21 H 1 0.789 0.020 . . . . . A 21 LEU HD21 . 19845 1 179 . 1 1 14 14 LEU HD22 H 1 0.789 0.020 . . . . . A 21 LEU HD22 . 19845 1 180 . 1 1 14 14 LEU HD23 H 1 0.789 0.020 . . . . . A 21 LEU HD23 . 19845 1 181 . 1 1 14 14 LEU C C 13 175.324 0.300 . . . . . A 21 LEU C . 19845 1 182 . 1 1 14 14 LEU CA C 13 58.128 0.300 . . . . . A 21 LEU CA . 19845 1 183 . 1 1 14 14 LEU CB C 13 41.957 0.300 . . . . . A 21 LEU CB . 19845 1 184 . 1 1 14 14 LEU CG C 13 26.796 0.300 . . . . . A 21 LEU CG . 19845 1 185 . 1 1 14 14 LEU CD1 C 13 23.474 0.300 . . . . . A 21 LEU CD1 . 19845 1 186 . 1 1 14 14 LEU CD2 C 13 23.192 0.300 . . . . . A 21 LEU CD2 . 19845 1 187 . 1 1 14 14 LEU N N 15 118.571 0.300 . . . . . A 21 LEU N . 19845 1 188 . 1 1 15 15 ALA H H 1 8.353 0.020 . . . . . A 22 ALA H . 19845 1 189 . 1 1 15 15 ALA HA H 1 3.779 0.020 . . . . . A 22 ALA HA . 19845 1 190 . 1 1 15 15 ALA HB1 H 1 1.405 0.020 . . . . . A 22 ALA HB1 . 19845 1 191 . 1 1 15 15 ALA HB2 H 1 1.405 0.020 . . . . . A 22 ALA HB2 . 19845 1 192 . 1 1 15 15 ALA HB3 H 1 1.405 0.020 . . . . . A 22 ALA HB3 . 19845 1 193 . 1 1 15 15 ALA C C 13 175.697 0.300 . . . . . A 22 ALA C . 19845 1 194 . 1 1 15 15 ALA CA C 13 55.721 0.300 . . . . . A 22 ALA CA . 19845 1 195 . 1 1 15 15 ALA CB C 13 17.788 0.300 . . . . . A 22 ALA CB . 19845 1 196 . 1 1 15 15 ALA N N 15 120.775 0.300 . . . . . A 22 ALA N . 19845 1 197 . 1 1 16 16 PHE H H 1 8.121 0.020 . . . . . A 23 PHE H . 19845 1 198 . 1 1 16 16 PHE HA H 1 4.108 0.020 . . . . . A 23 PHE HA . 19845 1 199 . 1 1 16 16 PHE HB2 H 1 3.215 0.020 . . . . . A 23 PHE HB2 . 19845 1 200 . 1 1 16 16 PHE HB3 H 1 3.078 0.020 . . . . . A 23 PHE HB3 . 19845 1 201 . 1 1 16 16 PHE HD1 H 1 6.951 0.020 . . . . . A 23 PHE HD1 . 19845 1 202 . 1 1 16 16 PHE HD2 H 1 6.951 0.020 . . . . . A 23 PHE HD2 . 19845 1 203 . 1 1 16 16 PHE HE1 H 1 6.985 0.020 . . . . . A 23 PHE HE1 . 19845 1 204 . 1 1 16 16 PHE HE2 H 1 6.985 0.020 . . . . . A 23 PHE HE2 . 19845 1 205 . 1 1 16 16 PHE C C 13 173.859 0.300 . . . . . A 23 PHE C . 19845 1 206 . 1 1 16 16 PHE CA C 13 61.271 0.300 . . . . . A 23 PHE CA . 19845 1 207 . 1 1 16 16 PHE CB C 13 38.853 0.300 . . . . . A 23 PHE CB . 19845 1 208 . 1 1 16 16 PHE CD2 C 13 131.456 0.300 . . . . . A 23 PHE CD2 . 19845 1 209 . 1 1 16 16 PHE CE2 C 13 129.290 0.300 . . . . . A 23 PHE CE2 . 19845 1 210 . 1 1 16 16 PHE N N 15 117.860 0.300 . . . . . A 23 PHE N . 19845 1 211 . 1 1 17 17 VAL H H 1 8.124 0.020 . . . . . A 24 VAL H . 19845 1 212 . 1 1 17 17 VAL HA H 1 3.134 0.020 . . . . . A 24 VAL HA . 19845 1 213 . 1 1 17 17 VAL HB H 1 2.031 0.020 . . . . . A 24 VAL HB . 19845 1 214 . 1 1 17 17 VAL HG11 H 1 0.677 0.020 . . . . . A 24 VAL HG11 . 19845 1 215 . 1 1 17 17 VAL HG12 H 1 0.677 0.020 . . . . . A 24 VAL HG12 . 19845 1 216 . 1 1 17 17 VAL HG13 H 1 0.677 0.020 . . . . . A 24 VAL HG13 . 19845 1 217 . 1 1 17 17 VAL HG21 H 1 0.596 0.020 . . . . . A 24 VAL HG21 . 19845 1 218 . 1 1 17 17 VAL HG22 H 1 0.596 0.020 . . . . . A 24 VAL HG22 . 19845 1 219 . 1 1 17 17 VAL HG23 H 1 0.596 0.020 . . . . . A 24 VAL HG23 . 19845 1 220 . 1 1 17 17 VAL C C 13 174.684 0.300 . . . . . A 24 VAL C . 19845 1 221 . 1 1 17 17 VAL CA C 13 67.419 0.300 . . . . . A 24 VAL CA . 19845 1 222 . 1 1 17 17 VAL CB C 13 31.106 0.300 . . . . . A 24 VAL CB . 19845 1 223 . 1 1 17 17 VAL CG1 C 13 21.279 0.300 . . . . . A 24 VAL CG1 . 19845 1 224 . 1 1 17 17 VAL CG2 C 13 23.299 0.300 . . . . . A 24 VAL CG2 . 19845 1 225 . 1 1 17 17 VAL N N 15 119.181 0.300 . . . . . A 24 VAL N . 19845 1 226 . 1 1 18 18 VAL H H 1 8.250 0.020 . . . . . A 25 VAL H . 19845 1 227 . 1 1 18 18 VAL HA H 1 3.324 0.020 . . . . . A 25 VAL HA . 19845 1 228 . 1 1 18 18 VAL HB H 1 2.107 0.020 . . . . . A 25 VAL HB . 19845 1 229 . 1 1 18 18 VAL HG11 H 1 0.727 0.020 . . . . . A 25 VAL HG11 . 19845 1 230 . 1 1 18 18 VAL HG12 H 1 0.727 0.020 . . . . . A 25 VAL HG12 . 19845 1 231 . 1 1 18 18 VAL HG13 H 1 0.727 0.020 . . . . . A 25 VAL HG13 . 19845 1 232 . 1 1 18 18 VAL HG21 H 1 0.897 0.020 . . . . . A 25 VAL HG21 . 19845 1 233 . 1 1 18 18 VAL HG22 H 1 0.897 0.020 . . . . . A 25 VAL HG22 . 19845 1 234 . 1 1 18 18 VAL HG23 H 1 0.897 0.020 . . . . . A 25 VAL HG23 . 19845 1 235 . 1 1 18 18 VAL C C 13 174.244 0.300 . . . . . A 25 VAL C . 19845 1 236 . 1 1 18 18 VAL CA C 13 67.740 0.300 . . . . . A 25 VAL CA . 19845 1 237 . 1 1 18 18 VAL CB C 13 31.270 0.300 . . . . . A 25 VAL CB . 19845 1 238 . 1 1 18 18 VAL CG1 C 13 21.660 0.300 . . . . . A 25 VAL CG1 . 19845 1 239 . 1 1 18 18 VAL CG2 C 13 23.520 0.300 . . . . . A 25 VAL CG2 . 19845 1 240 . 1 1 18 18 VAL N N 15 119.215 0.300 . . . . . A 25 VAL N . 19845 1 241 . 1 1 19 19 PHE H H 1 8.413 0.020 . . . . . A 26 PHE H . 19845 1 242 . 1 1 19 19 PHE HA H 1 3.900 0.020 . . . . . A 26 PHE HA . 19845 1 243 . 1 1 19 19 PHE HB2 H 1 3.132 0.020 . . . . . A 26 PHE HB2 . 19845 1 244 . 1 1 19 19 PHE HB3 H 1 2.997 0.020 . . . . . A 26 PHE HB3 . 19845 1 245 . 1 1 19 19 PHE HD1 H 1 6.833 0.020 . . . . . A 26 PHE HD1 . 19845 1 246 . 1 1 19 19 PHE HD2 H 1 6.833 0.020 . . . . . A 26 PHE HD2 . 19845 1 247 . 1 1 19 19 PHE HE1 H 1 6.856 0.020 . . . . . A 26 PHE HE1 . 19845 1 248 . 1 1 19 19 PHE HE2 H 1 6.856 0.020 . . . . . A 26 PHE HE2 . 19845 1 249 . 1 1 19 19 PHE C C 13 175.371 0.300 . . . . . A 26 PHE C . 19845 1 250 . 1 1 19 19 PHE CA C 13 61.651 0.300 . . . . . A 26 PHE CA . 19845 1 251 . 1 1 19 19 PHE CB C 13 38.760 0.300 . . . . . A 26 PHE CB . 19845 1 252 . 1 1 19 19 PHE CD2 C 13 132.001 0.300 . . . . . A 26 PHE CD2 . 19845 1 253 . 1 1 19 19 PHE N N 15 119.875 0.300 . . . . . A 26 PHE N . 19845 1 254 . 1 1 20 20 LEU H H 1 8.453 0.020 . . . . . A 27 LEU H . 19845 1 255 . 1 1 20 20 LEU HA H 1 3.533 0.020 . . . . . A 27 LEU HA . 19845 1 256 . 1 1 20 20 LEU HB2 H 1 1.433 0.020 . . . . . A 27 LEU HB2 . 19845 1 257 . 1 1 20 20 LEU HB3 H 1 1.337 0.020 . . . . . A 27 LEU HB3 . 19845 1 258 . 1 1 20 20 LEU HG H 1 1.385 0.020 . . . . . A 27 LEU HG . 19845 1 259 . 1 1 20 20 LEU HD11 H 1 0.574 0.020 . . . . . A 27 LEU HD11 . 19845 1 260 . 1 1 20 20 LEU HD12 H 1 0.574 0.020 . . . . . A 27 LEU HD12 . 19845 1 261 . 1 1 20 20 LEU HD13 H 1 0.574 0.020 . . . . . A 27 LEU HD13 . 19845 1 262 . 1 1 20 20 LEU HD21 H 1 0.610 0.020 . . . . . A 27 LEU HD21 . 19845 1 263 . 1 1 20 20 LEU HD22 H 1 0.610 0.020 . . . . . A 27 LEU HD22 . 19845 1 264 . 1 1 20 20 LEU HD23 H 1 0.610 0.020 . . . . . A 27 LEU HD23 . 19845 1 265 . 1 1 20 20 LEU C C 13 175.256 0.300 . . . . . A 27 LEU C . 19845 1 266 . 1 1 20 20 LEU CA C 13 58.211 0.300 . . . . . A 27 LEU CA . 19845 1 267 . 1 1 20 20 LEU CB C 13 41.564 0.300 . . . . . A 27 LEU CB . 19845 1 268 . 1 1 20 20 LEU CG C 13 26.437 0.300 . . . . . A 27 LEU CG . 19845 1 269 . 1 1 20 20 LEU CD1 C 13 24.562 0.300 . . . . . A 27 LEU CD1 . 19845 1 270 . 1 1 20 20 LEU CD2 C 13 24.053 0.300 . . . . . A 27 LEU CD2 . 19845 1 271 . 1 1 20 20 LEU N N 15 122.548 0.300 . . . . . A 27 LEU N . 19845 1 272 . 1 1 21 21 LEU H H 1 8.248 0.020 . . . . . A 28 LEU H . 19845 1 273 . 1 1 21 21 LEU HA H 1 3.799 0.020 . . . . . A 28 LEU HA . 19845 1 274 . 1 1 21 21 LEU HB2 H 1 1.808 0.020 . . . . . A 28 LEU HB2 . 19845 1 275 . 1 1 21 21 LEU HB3 H 1 1.284 0.020 . . . . . A 28 LEU HB3 . 19845 1 276 . 1 1 21 21 LEU HG H 1 1.765 0.020 . . . . . A 28 LEU HG . 19845 1 277 . 1 1 21 21 LEU HD11 H 1 0.667 0.020 . . . . . A 28 LEU HD11 . 19845 1 278 . 1 1 21 21 LEU HD12 H 1 0.667 0.020 . . . . . A 28 LEU HD12 . 19845 1 279 . 1 1 21 21 LEU HD13 H 1 0.667 0.020 . . . . . A 28 LEU HD13 . 19845 1 280 . 1 1 21 21 LEU HD21 H 1 0.649 0.020 . . . . . A 28 LEU HD21 . 19845 1 281 . 1 1 21 21 LEU HD22 H 1 0.649 0.020 . . . . . A 28 LEU HD22 . 19845 1 282 . 1 1 21 21 LEU HD23 H 1 0.649 0.020 . . . . . A 28 LEU HD23 . 19845 1 283 . 1 1 21 21 LEU C C 13 175.881 0.300 . . . . . A 28 LEU C . 19845 1 284 . 1 1 21 21 LEU CA C 13 58.492 0.300 . . . . . A 28 LEU CA . 19845 1 285 . 1 1 21 21 LEU CB C 13 41.760 0.300 . . . . . A 28 LEU CB . 19845 1 286 . 1 1 21 21 LEU CG C 13 26.746 0.300 . . . . . A 28 LEU CG . 19845 1 287 . 1 1 21 21 LEU CD1 C 13 25.323 0.300 . . . . . A 28 LEU CD1 . 19845 1 288 . 1 1 21 21 LEU CD2 C 13 22.973 0.300 . . . . . A 28 LEU CD2 . 19845 1 289 . 1 1 21 21 LEU N N 15 119.385 0.300 . . . . . A 28 LEU N . 19845 1 290 . 1 1 22 22 VAL H H 1 8.446 0.020 . . . . . A 29 VAL H . 19845 1 291 . 1 1 22 22 VAL HA H 1 3.319 0.020 . . . . . A 29 VAL HA . 19845 1 292 . 1 1 22 22 VAL HB H 1 1.953 0.020 . . . . . A 29 VAL HB . 19845 1 293 . 1 1 22 22 VAL HG11 H 1 0.723 0.020 . . . . . A 29 VAL HG11 . 19845 1 294 . 1 1 22 22 VAL HG12 H 1 0.723 0.020 . . . . . A 29 VAL HG12 . 19845 1 295 . 1 1 22 22 VAL HG13 H 1 0.723 0.020 . . . . . A 29 VAL HG13 . 19845 1 296 . 1 1 22 22 VAL HG21 H 1 0.682 0.020 . . . . . A 29 VAL HG21 . 19845 1 297 . 1 1 22 22 VAL HG22 H 1 0.682 0.020 . . . . . A 29 VAL HG22 . 19845 1 298 . 1 1 22 22 VAL HG23 H 1 0.682 0.020 . . . . . A 29 VAL HG23 . 19845 1 299 . 1 1 22 22 VAL C C 13 174.734 0.300 . . . . . A 29 VAL C . 19845 1 300 . 1 1 22 22 VAL CA C 13 67.192 0.300 . . . . . A 29 VAL CA . 19845 1 301 . 1 1 22 22 VAL CB C 13 31.175 0.300 . . . . . A 29 VAL CB . 19845 1 302 . 1 1 22 22 VAL CG1 C 13 21.261 0.300 . . . . . A 29 VAL CG1 . 19845 1 303 . 1 1 22 22 VAL CG2 C 13 21.694 0.300 . . . . . A 29 VAL CG2 . 19845 1 304 . 1 1 22 22 VAL N N 15 118.515 0.300 . . . . . A 29 VAL N . 19845 1 305 . 1 1 23 23 THR H H 1 7.923 0.020 . . . . . A 30 THR H . 19845 1 306 . 1 1 23 23 THR HA H 1 3.432 0.020 . . . . . A 30 THR HA . 19845 1 307 . 1 1 23 23 THR HB H 1 3.896 0.020 . . . . . A 30 THR HB . 19845 1 308 . 1 1 23 23 THR HG21 H 1 0.834 0.020 . . . . . A 30 THR HG21 . 19845 1 309 . 1 1 23 23 THR HG22 H 1 0.834 0.020 . . . . . A 30 THR HG22 . 19845 1 310 . 1 1 23 23 THR HG23 H 1 0.834 0.020 . . . . . A 30 THR HG23 . 19845 1 311 . 1 1 23 23 THR CA C 13 68.606 0.300 . . . . . A 30 THR CA . 19845 1 312 . 1 1 23 23 THR CB C 13 67.147 0.300 . . . . . A 30 THR CB . 19845 1 313 . 1 1 23 23 THR CG2 C 13 21.245 0.300 . . . . . A 30 THR CG2 . 19845 1 314 . 1 1 23 23 THR N N 15 117.313 0.300 . . . . . A 30 THR N . 19845 1 315 . 1 1 24 24 LEU H H 1 8.382 0.020 . . . . . A 31 LEU H . 19845 1 316 . 1 1 24 24 LEU HA H 1 3.858 0.020 . . . . . A 31 LEU HA . 19845 1 317 . 1 1 24 24 LEU HB2 H 1 1.771 0.020 . . . . . A 31 LEU HB2 . 19845 1 318 . 1 1 24 24 LEU HB3 H 1 1.416 0.020 . . . . . A 31 LEU HB3 . 19845 1 319 . 1 1 24 24 LEU HG H 1 1.709 0.020 . . . . . A 31 LEU HG . 19845 1 320 . 1 1 24 24 LEU HD11 H 1 0.710 0.020 . . . . . A 31 LEU HD11 . 19845 1 321 . 1 1 24 24 LEU HD12 H 1 0.710 0.020 . . . . . A 31 LEU HD12 . 19845 1 322 . 1 1 24 24 LEU HD13 H 1 0.710 0.020 . . . . . A 31 LEU HD13 . 19845 1 323 . 1 1 24 24 LEU HD21 H 1 0.704 0.020 . . . . . A 31 LEU HD21 . 19845 1 324 . 1 1 24 24 LEU HD22 H 1 0.704 0.020 . . . . . A 31 LEU HD22 . 19845 1 325 . 1 1 24 24 LEU HD23 H 1 0.704 0.020 . . . . . A 31 LEU HD23 . 19845 1 326 . 1 1 24 24 LEU C C 13 177.164 0.300 . . . . . A 31 LEU C . 19845 1 327 . 1 1 24 24 LEU CA C 13 58.145 0.300 . . . . . A 31 LEU CA . 19845 1 328 . 1 1 24 24 LEU CB C 13 41.615 0.300 . . . . . A 31 LEU CB . 19845 1 329 . 1 1 24 24 LEU CG C 13 26.825 0.300 . . . . . A 31 LEU CG . 19845 1 330 . 1 1 24 24 LEU CD1 C 13 24.996 0.300 . . . . . A 31 LEU CD1 . 19845 1 331 . 1 1 24 24 LEU CD2 C 13 23.534 0.300 . . . . . A 31 LEU CD2 . 19845 1 332 . 1 1 24 24 LEU N N 15 120.629 0.300 . . . . . A 31 LEU N . 19845 1 333 . 1 1 25 25 ALA H H 1 8.517 0.020 . . . . . A 32 ALA H . 19845 1 334 . 1 1 25 25 ALA HA H 1 3.836 0.020 . . . . . A 32 ALA HA . 19845 1 335 . 1 1 25 25 ALA HB1 H 1 1.387 0.020 . . . . . A 32 ALA HB1 . 19845 1 336 . 1 1 25 25 ALA HB2 H 1 1.387 0.020 . . . . . A 32 ALA HB2 . 19845 1 337 . 1 1 25 25 ALA HB3 H 1 1.387 0.020 . . . . . A 32 ALA HB3 . 19845 1 338 . 1 1 25 25 ALA C C 13 175.968 0.300 . . . . . A 32 ALA C . 19845 1 339 . 1 1 25 25 ALA CA C 13 55.918 0.300 . . . . . A 32 ALA CA . 19845 1 340 . 1 1 25 25 ALA CB C 13 17.802 0.300 . . . . . A 32 ALA CB . 19845 1 341 . 1 1 25 25 ALA N N 15 125.216 0.300 . . . . . A 32 ALA N . 19845 1 342 . 1 1 26 26 ILE H H 1 8.288 0.020 . . . . . A 33 ILE H . 19845 1 343 . 1 1 26 26 ILE HA H 1 3.481 0.020 . . . . . A 33 ILE HA . 19845 1 344 . 1 1 26 26 ILE HB H 1 1.910 0.020 . . . . . A 33 ILE HB . 19845 1 345 . 1 1 26 26 ILE HG12 H 1 1.821 0.020 . . . . . A 33 ILE HG12 . 19845 1 346 . 1 1 26 26 ILE HG13 H 1 0.867 0.020 . . . . . A 33 ILE HG13 . 19845 1 347 . 1 1 26 26 ILE HG21 H 1 0.773 0.020 . . . . . A 33 ILE HG21 . 19845 1 348 . 1 1 26 26 ILE HG22 H 1 0.773 0.020 . . . . . A 33 ILE HG22 . 19845 1 349 . 1 1 26 26 ILE HG23 H 1 0.773 0.020 . . . . . A 33 ILE HG23 . 19845 1 350 . 1 1 26 26 ILE HD11 H 1 0.672 0.020 . . . . . A 33 ILE HD11 . 19845 1 351 . 1 1 26 26 ILE HD12 H 1 0.672 0.020 . . . . . A 33 ILE HD12 . 19845 1 352 . 1 1 26 26 ILE HD13 H 1 0.672 0.020 . . . . . A 33 ILE HD13 . 19845 1 353 . 1 1 26 26 ILE C C 13 175.004 0.300 . . . . . A 33 ILE C . 19845 1 354 . 1 1 26 26 ILE CA C 13 65.554 0.300 . . . . . A 33 ILE CA . 19845 1 355 . 1 1 26 26 ILE CB C 13 37.657 0.300 . . . . . A 33 ILE CB . 19845 1 356 . 1 1 26 26 ILE CG1 C 13 29.478 0.300 . . . . . A 33 ILE CG1 . 19845 1 357 . 1 1 26 26 ILE CG2 C 13 17.208 0.300 . . . . . A 33 ILE CG2 . 19845 1 358 . 1 1 26 26 ILE CD1 C 13 13.625 0.300 . . . . . A 33 ILE CD1 . 19845 1 359 . 1 1 26 26 ILE N N 15 118.722 0.300 . . . . . A 33 ILE N . 19845 1 360 . 1 1 27 27 LEU H H 1 8.493 0.020 . . . . . A 34 LEU H . 19845 1 361 . 1 1 27 27 LEU HA H 1 3.893 0.020 . . . . . A 34 LEU HA . 19845 1 362 . 1 1 27 27 LEU HB2 H 1 1.837 0.020 . . . . . A 34 LEU HB2 . 19845 1 363 . 1 1 27 27 LEU HB3 H 1 1.423 0.020 . . . . . A 34 LEU HB3 . 19845 1 364 . 1 1 27 27 LEU HG H 1 1.836 0.020 . . . . . A 34 LEU HG . 19845 1 365 . 1 1 27 27 LEU HD11 H 1 0.777 0.020 . . . . . A 34 LEU HD11 . 19845 1 366 . 1 1 27 27 LEU HD12 H 1 0.777 0.020 . . . . . A 34 LEU HD12 . 19845 1 367 . 1 1 27 27 LEU HD13 H 1 0.777 0.020 . . . . . A 34 LEU HD13 . 19845 1 368 . 1 1 27 27 LEU HD21 H 1 0.788 0.020 . . . . . A 34 LEU HD21 . 19845 1 369 . 1 1 27 27 LEU HD22 H 1 0.788 0.020 . . . . . A 34 LEU HD22 . 19845 1 370 . 1 1 27 27 LEU HD23 H 1 0.788 0.020 . . . . . A 34 LEU HD23 . 19845 1 371 . 1 1 27 27 LEU C C 13 176.439 0.300 . . . . . A 34 LEU C . 19845 1 372 . 1 1 27 27 LEU CA C 13 58.436 0.300 . . . . . A 34 LEU CA . 19845 1 373 . 1 1 27 27 LEU CB C 13 42.152 0.300 . . . . . A 34 LEU CB . 19845 1 374 . 1 1 27 27 LEU CG C 13 26.782 0.300 . . . . . A 34 LEU CG . 19845 1 375 . 1 1 27 27 LEU CD1 C 13 25.642 0.300 . . . . . A 34 LEU CD1 . 19845 1 376 . 1 1 27 27 LEU CD2 C 13 23.493 0.300 . . . . . A 34 LEU CD2 . 19845 1 377 . 1 1 27 27 LEU N N 15 118.987 0.300 . . . . . A 34 LEU N . 19845 1 378 . 1 1 28 28 THR H H 1 8.215 0.020 . . . . . A 35 THR H . 19845 1 379 . 1 1 28 28 THR HA H 1 3.652 0.020 . . . . . A 35 THR HA . 19845 1 380 . 1 1 28 28 THR HB H 1 4.202 0.020 . . . . . A 35 THR HB . 19845 1 381 . 1 1 28 28 THR HG21 H 1 1.060 0.020 . . . . . A 35 THR HG21 . 19845 1 382 . 1 1 28 28 THR HG22 H 1 1.060 0.020 . . . . . A 35 THR HG22 . 19845 1 383 . 1 1 28 28 THR HG23 H 1 1.060 0.020 . . . . . A 35 THR HG23 . 19845 1 384 . 1 1 28 28 THR C C 13 173.366 0.300 . . . . . A 35 THR C . 19845 1 385 . 1 1 28 28 THR CA C 13 68.153 0.300 . . . . . A 35 THR CA . 19845 1 386 . 1 1 28 28 THR CB C 13 68.162 0.300 . . . . . A 35 THR CB . 19845 1 387 . 1 1 28 28 THR CG2 C 13 21.272 0.300 . . . . . A 35 THR CG2 . 19845 1 388 . 1 1 28 28 THR N N 15 116.630 0.300 . . . . . A 35 THR N . 19845 1 389 . 1 1 29 29 ALA H H 1 8.358 0.020 . . . . . A 36 ALA H . 19845 1 390 . 1 1 29 29 ALA HA H 1 3.864 0.020 . . . . . A 36 ALA HA . 19845 1 391 . 1 1 29 29 ALA HB1 H 1 1.414 0.020 . . . . . A 36 ALA HB1 . 19845 1 392 . 1 1 29 29 ALA HB2 H 1 1.414 0.020 . . . . . A 36 ALA HB2 . 19845 1 393 . 1 1 29 29 ALA HB3 H 1 1.414 0.020 . . . . . A 36 ALA HB3 . 19845 1 394 . 1 1 29 29 ALA C C 13 176.510 0.300 . . . . . A 36 ALA C . 19845 1 395 . 1 1 29 29 ALA CA C 13 55.758 0.300 . . . . . A 36 ALA CA . 19845 1 396 . 1 1 29 29 ALA CB C 13 18.054 0.300 . . . . . A 36 ALA CB . 19845 1 397 . 1 1 29 29 ALA N N 15 124.667 0.300 . . . . . A 36 ALA N . 19845 1 398 . 1 1 30 30 LEU H H 1 8.360 0.020 . . . . . A 37 LEU H . 19845 1 399 . 1 1 30 30 LEU HA H 1 3.973 0.020 . . . . . A 37 LEU HA . 19845 1 400 . 1 1 30 30 LEU HB2 H 1 1.458 0.020 . . . . . A 37 LEU HB2 . 19845 1 401 . 1 1 30 30 LEU HB3 H 1 1.458 0.020 . . . . . A 37 LEU HB3 . 19845 1 402 . 1 1 30 30 LEU HG H 1 1.896 0.020 . . . . . A 37 LEU HG . 19845 1 403 . 1 1 30 30 LEU HD11 H 1 0.848 0.020 . . . . . A 37 LEU HD11 . 19845 1 404 . 1 1 30 30 LEU HD12 H 1 0.848 0.020 . . . . . A 37 LEU HD12 . 19845 1 405 . 1 1 30 30 LEU HD13 H 1 0.848 0.020 . . . . . A 37 LEU HD13 . 19845 1 406 . 1 1 30 30 LEU HD21 H 1 0.707 0.020 . . . . . A 37 LEU HD21 . 19845 1 407 . 1 1 30 30 LEU HD22 H 1 0.707 0.020 . . . . . A 37 LEU HD22 . 19845 1 408 . 1 1 30 30 LEU HD23 H 1 0.707 0.020 . . . . . A 37 LEU HD23 . 19845 1 409 . 1 1 30 30 LEU C C 13 176.538 0.300 . . . . . A 37 LEU C . 19845 1 410 . 1 1 30 30 LEU CA C 13 57.853 0.300 . . . . . A 37 LEU CA . 19845 1 411 . 1 1 30 30 LEU CB C 13 42.018 0.300 . . . . . A 37 LEU CB . 19845 1 412 . 1 1 30 30 LEU CG C 13 26.695 0.300 . . . . . A 37 LEU CG . 19845 1 413 . 1 1 30 30 LEU CD1 C 13 24.800 0.300 . . . . . A 37 LEU CD1 . 19845 1 414 . 1 1 30 30 LEU CD2 C 13 24.289 0.300 . . . . . A 37 LEU CD2 . 19845 1 415 . 1 1 30 30 LEU N N 15 116.565 0.300 . . . . . A 37 LEU N . 19845 1 416 . 1 1 31 31 ARG H H 1 8.082 0.020 . . . . . A 38 ARG H . 19845 1 417 . 1 1 31 31 ARG HA H 1 4.104 0.020 . . . . . A 38 ARG HA . 19845 1 418 . 1 1 31 31 ARG HB2 H 1 2.002 0.020 . . . . . A 38 ARG HB2 . 19845 1 419 . 1 1 31 31 ARG HB3 H 1 1.943 0.020 . . . . . A 38 ARG HB3 . 19845 1 420 . 1 1 31 31 ARG HG2 H 1 1.688 0.020 . . . . . A 38 ARG HG2 . 19845 1 421 . 1 1 31 31 ARG HG3 H 1 1.661 0.020 . . . . . A 38 ARG HG3 . 19845 1 422 . 1 1 31 31 ARG HD2 H 1 3.188 0.020 . . . . . A 38 ARG HD2 . 19845 1 423 . 1 1 31 31 ARG HD3 H 1 3.116 0.020 . . . . . A 38 ARG HD3 . 19845 1 424 . 1 1 31 31 ARG HE H 1 7.226 0.020 . . . . . A 38 ARG HE . 19845 1 425 . 1 1 31 31 ARG C C 13 176.208 0.300 . . . . . A 38 ARG C . 19845 1 426 . 1 1 31 31 ARG CA C 13 58.100 0.300 . . . . . A 38 ARG CA . 19845 1 427 . 1 1 31 31 ARG CB C 13 29.502 0.300 . . . . . A 38 ARG CB . 19845 1 428 . 1 1 31 31 ARG CG C 13 27.348 0.300 . . . . . A 38 ARG CG . 19845 1 429 . 1 1 31 31 ARG CD C 13 43.128 0.300 . . . . . A 38 ARG CD . 19845 1 430 . 1 1 31 31 ARG N N 15 119.392 0.300 . . . . . A 38 ARG N . 19845 1 431 . 1 1 31 31 ARG NE N 15 84.642 0.300 . . . . . A 38 ARG NE . 19845 1 432 . 1 1 32 32 LEU H H 1 8.446 0.020 . . . . . A 39 LEU H . 19845 1 433 . 1 1 32 32 LEU HA H 1 4.243 0.020 . . . . . A 39 LEU HA . 19845 1 434 . 1 1 32 32 LEU HB2 H 1 1.818 0.020 . . . . . A 39 LEU HB2 . 19845 1 435 . 1 1 32 32 LEU HB3 H 1 1.342 0.020 . . . . . A 39 LEU HB3 . 19845 1 436 . 1 1 32 32 LEU HG H 1 1.789 0.020 . . . . . A 39 LEU HG . 19845 1 437 . 1 1 32 32 LEU HD11 H 1 0.825 0.020 . . . . . A 39 LEU HD11 . 19845 1 438 . 1 1 32 32 LEU HD12 H 1 0.825 0.020 . . . . . A 39 LEU HD12 . 19845 1 439 . 1 1 32 32 LEU HD13 H 1 0.825 0.020 . . . . . A 39 LEU HD13 . 19845 1 440 . 1 1 32 32 LEU HD21 H 1 0.757 0.020 . . . . . A 39 LEU HD21 . 19845 1 441 . 1 1 32 32 LEU HD22 H 1 0.757 0.020 . . . . . A 39 LEU HD22 . 19845 1 442 . 1 1 32 32 LEU HD23 H 1 0.757 0.020 . . . . . A 39 LEU HD23 . 19845 1 443 . 1 1 32 32 LEU C C 13 175.702 0.300 . . . . . A 39 LEU C . 19845 1 444 . 1 1 32 32 LEU CA C 13 56.979 0.300 . . . . . A 39 LEU CA . 19845 1 445 . 1 1 32 32 LEU CB C 13 41.893 0.300 . . . . . A 39 LEU CB . 19845 1 446 . 1 1 32 32 LEU CG C 13 27.335 0.300 . . . . . A 39 LEU CG . 19845 1 447 . 1 1 32 32 LEU CD1 C 13 25.143 0.300 . . . . . A 39 LEU CD1 . 19845 1 448 . 1 1 32 32 LEU CD2 C 13 25.139 0.300 . . . . . A 39 LEU CD2 . 19845 1 449 . 1 1 32 32 LEU N N 15 120.438 0.300 . . . . . A 39 LEU N . 19845 1 450 . 1 1 33 33 ALA H H 1 8.321 0.020 . . . . . A 40 ALA H . 19845 1 451 . 1 1 33 33 ALA HA H 1 3.975 0.020 . . . . . A 40 ALA HA . 19845 1 452 . 1 1 33 33 ALA HB1 H 1 1.428 0.020 . . . . . A 40 ALA HB1 . 19845 1 453 . 1 1 33 33 ALA HB2 H 1 1.428 0.020 . . . . . A 40 ALA HB2 . 19845 1 454 . 1 1 33 33 ALA HB3 H 1 1.428 0.020 . . . . . A 40 ALA HB3 . 19845 1 455 . 1 1 33 33 ALA C C 13 175.838 0.300 . . . . . A 40 ALA C . 19845 1 456 . 1 1 33 33 ALA CA C 13 54.710 0.300 . . . . . A 40 ALA CA . 19845 1 457 . 1 1 33 33 ALA CB C 13 18.319 0.300 . . . . . A 40 ALA CB . 19845 1 458 . 1 1 33 33 ALA N N 15 122.512 0.300 . . . . . A 40 ALA N . 19845 1 459 . 1 1 34 34 ALA H H 1 8.038 0.020 . . . . . A 41 ALA H . 19845 1 460 . 1 1 34 34 ALA HA H 1 4.024 0.020 . . . . . A 41 ALA HA . 19845 1 461 . 1 1 34 34 ALA HB1 H 1 1.349 0.020 . . . . . A 41 ALA HB1 . 19845 1 462 . 1 1 34 34 ALA HB2 H 1 1.349 0.020 . . . . . A 41 ALA HB2 . 19845 1 463 . 1 1 34 34 ALA HB3 H 1 1.349 0.020 . . . . . A 41 ALA HB3 . 19845 1 464 . 1 1 34 34 ALA C C 13 176.517 0.300 . . . . . A 41 ALA C . 19845 1 465 . 1 1 34 34 ALA CA C 13 54.486 0.300 . . . . . A 41 ALA CA . 19845 1 466 . 1 1 34 34 ALA CB C 13 18.468 0.300 . . . . . A 41 ALA CB . 19845 1 467 . 1 1 34 34 ALA N N 15 119.754 0.300 . . . . . A 41 ALA N . 19845 1 468 . 1 1 35 35 TYR H H 1 7.814 0.020 . . . . . A 42 TYR H . 19845 1 469 . 1 1 35 35 TYR HA H 1 4.326 0.020 . . . . . A 42 TYR HA . 19845 1 470 . 1 1 35 35 TYR HB2 H 1 3.094 0.020 . . . . . A 42 TYR HB2 . 19845 1 471 . 1 1 35 35 TYR HB3 H 1 3.018 0.020 . . . . . A 42 TYR HB3 . 19845 1 472 . 1 1 35 35 TYR HD1 H 1 7.046 0.020 . . . . . A 42 TYR HD1 . 19845 1 473 . 1 1 35 35 TYR HD2 H 1 7.046 0.020 . . . . . A 42 TYR HD2 . 19845 1 474 . 1 1 35 35 TYR HE1 H 1 6.707 0.020 . . . . . A 42 TYR HE1 . 19845 1 475 . 1 1 35 35 TYR HE2 H 1 6.707 0.020 . . . . . A 42 TYR HE2 . 19845 1 476 . 1 1 35 35 TYR C C 13 174.633 0.300 . . . . . A 42 TYR C . 19845 1 477 . 1 1 35 35 TYR CA C 13 60.098 0.300 . . . . . A 42 TYR CA . 19845 1 478 . 1 1 35 35 TYR CB C 13 38.936 0.300 . . . . . A 42 TYR CB . 19845 1 479 . 1 1 35 35 TYR CD1 C 13 131.963 0.300 . . . . . A 42 TYR CD1 . 19845 1 480 . 1 1 35 35 TYR CE1 C 13 116.643 0.300 . . . . . A 42 TYR CE1 . 19845 1 481 . 1 1 35 35 TYR N N 15 118.272 0.300 . . . . . A 42 TYR N . 19845 1 482 . 1 1 36 36 ALA H H 1 8.172 0.020 . . . . . A 43 ALA H . 19845 1 483 . 1 1 36 36 ALA HA H 1 4.111 0.020 . . . . . A 43 ALA HA . 19845 1 484 . 1 1 36 36 ALA HB1 H 1 1.412 0.020 . . . . . A 43 ALA HB1 . 19845 1 485 . 1 1 36 36 ALA HB2 H 1 1.412 0.020 . . . . . A 43 ALA HB2 . 19845 1 486 . 1 1 36 36 ALA HB3 H 1 1.412 0.020 . . . . . A 43 ALA HB3 . 19845 1 487 . 1 1 36 36 ALA C C 13 175.241 0.300 . . . . . A 43 ALA C . 19845 1 488 . 1 1 36 36 ALA CA C 13 53.842 0.300 . . . . . A 43 ALA CA . 19845 1 489 . 1 1 36 36 ALA CB C 13 18.427 0.300 . . . . . A 43 ALA CB . 19845 1 490 . 1 1 36 36 ALA N N 15 122.908 0.300 . . . . . A 43 ALA N . 19845 1 491 . 1 1 37 37 ALA H H 1 7.953 0.020 . . . . . A 44 ALA H . 19845 1 492 . 1 1 37 37 ALA HA H 1 4.051 0.020 . . . . . A 44 ALA HA . 19845 1 493 . 1 1 37 37 ALA HB1 H 1 1.393 0.020 . . . . . A 44 ALA HB1 . 19845 1 494 . 1 1 37 37 ALA HB2 H 1 1.393 0.020 . . . . . A 44 ALA HB2 . 19845 1 495 . 1 1 37 37 ALA HB3 H 1 1.393 0.020 . . . . . A 44 ALA HB3 . 19845 1 496 . 1 1 37 37 ALA C C 13 175.092 0.300 . . . . . A 44 ALA C . 19845 1 497 . 1 1 37 37 ALA CA C 13 53.611 0.300 . . . . . A 44 ALA CA . 19845 1 498 . 1 1 37 37 ALA CB C 13 18.689 0.300 . . . . . A 44 ALA CB . 19845 1 499 . 1 1 37 37 ALA N N 15 119.906 0.300 . . . . . A 44 ALA N . 19845 1 500 . 1 1 38 38 ASN H H 1 7.847 0.020 . . . . . A 45 ASN H . 19845 1 501 . 1 1 38 38 ASN HA H 1 4.541 0.020 . . . . . A 45 ASN HA . 19845 1 502 . 1 1 38 38 ASN HB2 H 1 2.798 0.020 . . . . . A 45 ASN HB2 . 19845 1 503 . 1 1 38 38 ASN HB3 H 1 2.702 0.020 . . . . . A 45 ASN HB3 . 19845 1 504 . 1 1 38 38 ASN HD21 H 1 6.773 0.020 . . . . . A 45 ASN HD21 . 19845 1 505 . 1 1 38 38 ASN HD22 H 1 7.392 0.020 . . . . . A 45 ASN HD22 . 19845 1 506 . 1 1 38 38 ASN CA C 13 54.506 0.300 . . . . . A 45 ASN CA . 19845 1 507 . 1 1 38 38 ASN CB C 13 38.602 0.300 . . . . . A 45 ASN CB . 19845 1 508 . 1 1 38 38 ASN N N 15 114.984 0.300 . . . . . A 45 ASN N . 19845 1 509 . 1 1 38 38 ASN ND2 N 15 113.566 0.300 . . . . . A 45 ASN ND2 . 19845 1 510 . 1 1 39 39 ILE H H 1 7.790 0.020 . . . . . A 46 ILE H . 19845 1 511 . 1 1 39 39 ILE HA H 1 4.033 0.020 . . . . . A 46 ILE HA . 19845 1 512 . 1 1 39 39 ILE HB H 1 1.864 0.020 . . . . . A 46 ILE HB . 19845 1 513 . 1 1 39 39 ILE HG12 H 1 1.434 0.020 . . . . . A 46 ILE HG12 . 19845 1 514 . 1 1 39 39 ILE HG13 H 1 1.137 0.020 . . . . . A 46 ILE HG13 . 19845 1 515 . 1 1 39 39 ILE HG21 H 1 0.850 0.020 . . . . . A 46 ILE HG21 . 19845 1 516 . 1 1 39 39 ILE HG22 H 1 0.850 0.020 . . . . . A 46 ILE HG22 . 19845 1 517 . 1 1 39 39 ILE HG23 H 1 0.850 0.020 . . . . . A 46 ILE HG23 . 19845 1 518 . 1 1 39 39 ILE HD11 H 1 0.748 0.020 . . . . . A 46 ILE HD11 . 19845 1 519 . 1 1 39 39 ILE HD12 H 1 0.748 0.020 . . . . . A 46 ILE HD12 . 19845 1 520 . 1 1 39 39 ILE HD13 H 1 0.748 0.020 . . . . . A 46 ILE HD13 . 19845 1 521 . 1 1 39 39 ILE C C 13 173.344 0.300 . . . . . A 46 ILE C . 19845 1 522 . 1 1 39 39 ILE CA C 13 62.357 0.300 . . . . . A 46 ILE CA . 19845 1 523 . 1 1 39 39 ILE CB C 13 38.657 0.300 . . . . . A 46 ILE CB . 19845 1 524 . 1 1 39 39 ILE CG1 C 13 27.847 0.300 . . . . . A 46 ILE CG1 . 19845 1 525 . 1 1 39 39 ILE CG2 C 13 17.895 0.300 . . . . . A 46 ILE CG2 . 19845 1 526 . 1 1 39 39 ILE CD1 C 13 13.494 0.300 . . . . . A 46 ILE CD1 . 19845 1 527 . 1 1 39 39 ILE N N 15 119.155 0.300 . . . . . A 46 ILE N . 19845 1 528 . 1 1 40 40 VAL H H 1 7.582 0.020 . . . . . A 47 VAL H . 19845 1 529 . 1 1 40 40 VAL HA H 1 4.133 0.020 . . . . . A 47 VAL HA . 19845 1 530 . 1 1 40 40 VAL HB H 1 2.119 0.020 . . . . . A 47 VAL HB . 19845 1 531 . 1 1 40 40 VAL HG11 H 1 0.875 0.020 . . . . . A 47 VAL HG11 . 19845 1 532 . 1 1 40 40 VAL HG12 H 1 0.875 0.020 . . . . . A 47 VAL HG12 . 19845 1 533 . 1 1 40 40 VAL HG13 H 1 0.875 0.020 . . . . . A 47 VAL HG13 . 19845 1 534 . 1 1 40 40 VAL HG21 H 1 0.875 0.020 . . . . . A 47 VAL HG21 . 19845 1 535 . 1 1 40 40 VAL HG22 H 1 0.875 0.020 . . . . . A 47 VAL HG22 . 19845 1 536 . 1 1 40 40 VAL HG23 H 1 0.875 0.020 . . . . . A 47 VAL HG23 . 19845 1 537 . 1 1 40 40 VAL C C 13 172.672 0.300 . . . . . A 47 VAL C . 19845 1 538 . 1 1 40 40 VAL CA C 13 62.149 0.300 . . . . . A 47 VAL CA . 19845 1 539 . 1 1 40 40 VAL CB C 13 32.807 0.300 . . . . . A 47 VAL CB . 19845 1 540 . 1 1 40 40 VAL CG1 C 13 21.897 0.300 . . . . . A 47 VAL CG1 . 19845 1 541 . 1 1 40 40 VAL N N 15 117.526 0.300 . . . . . A 47 VAL N . 19845 1 542 . 1 1 41 41 ASN H H 1 8.053 0.020 . . . . . A 48 ASN H . 19845 1 543 . 1 1 41 41 ASN HA H 1 4.658 0.020 . . . . . A 48 ASN HA . 19845 1 544 . 1 1 41 41 ASN HB2 H 1 2.851 0.020 . . . . . A 48 ASN HB2 . 19845 1 545 . 1 1 41 41 ASN HB3 H 1 2.671 0.020 . . . . . A 48 ASN HB3 . 19845 1 546 . 1 1 41 41 ASN HD21 H 1 7.401 0.020 . . . . . A 48 ASN HD21 . 19845 1 547 . 1 1 41 41 ASN HD22 H 1 6.780 0.020 . . . . . A 48 ASN HD22 . 19845 1 548 . 1 1 41 41 ASN CA C 13 53.478 0.300 . . . . . A 48 ASN CA . 19845 1 549 . 1 1 41 41 ASN CB C 13 38.573 0.300 . . . . . A 48 ASN CB . 19845 1 550 . 1 1 41 41 ASN N N 15 120.091 0.300 . . . . . A 48 ASN N . 19845 1 551 . 1 1 41 41 ASN ND2 N 15 113.787 0.300 . . . . . A 48 ASN ND2 . 19845 1 552 . 1 1 42 42 VAL H H 1 7.685 0.020 . . . . . A 49 VAL H . 19845 1 553 . 1 1 42 42 VAL HA H 1 4.133 0.020 . . . . . A 49 VAL HA . 19845 1 554 . 1 1 42 42 VAL HB H 1 2.062 0.020 . . . . . A 49 VAL HB . 19845 1 555 . 1 1 42 42 VAL HG11 H 1 0.878 0.020 . . . . . A 49 VAL HG11 . 19845 1 556 . 1 1 42 42 VAL HG12 H 1 0.878 0.020 . . . . . A 49 VAL HG12 . 19845 1 557 . 1 1 42 42 VAL HG13 H 1 0.878 0.020 . . . . . A 49 VAL HG13 . 19845 1 558 . 1 1 42 42 VAL HG21 H 1 0.859 0.020 . . . . . A 49 VAL HG21 . 19845 1 559 . 1 1 42 42 VAL HG22 H 1 0.859 0.020 . . . . . A 49 VAL HG22 . 19845 1 560 . 1 1 42 42 VAL HG23 H 1 0.859 0.020 . . . . . A 49 VAL HG23 . 19845 1 561 . 1 1 42 42 VAL C C 13 172.595 0.300 . . . . . A 49 VAL C . 19845 1 562 . 1 1 42 42 VAL CA C 13 62.049 0.300 . . . . . A 49 VAL CA . 19845 1 563 . 1 1 42 42 VAL CB C 13 33.271 0.300 . . . . . A 49 VAL CB . 19845 1 564 . 1 1 42 42 VAL CG1 C 13 21.753 0.300 . . . . . A 49 VAL CG1 . 19845 1 565 . 1 1 42 42 VAL CG2 C 13 20.172 0.300 . . . . . A 49 VAL CG2 . 19845 1 566 . 1 1 42 42 VAL N N 15 118.854 0.300 . . . . . A 49 VAL N . 19845 1 567 . 1 1 43 43 SER H H 1 8.075 0.020 . . . . . A 50 SER H . 19845 1 568 . 1 1 43 43 SER HA H 1 4.466 0.020 . . . . . A 50 SER HA . 19845 1 569 . 1 1 43 43 SER HB2 H 1 3.793 0.020 . . . . . A 50 SER HB2 . 19845 1 570 . 1 1 43 43 SER HB3 H 1 3.793 0.020 . . . . . A 50 SER HB3 . 19845 1 571 . 1 1 43 43 SER C C 13 171.430 0.300 . . . . . A 50 SER C . 19845 1 572 . 1 1 43 43 SER CA C 13 58.128 0.300 . . . . . A 50 SER CA . 19845 1 573 . 1 1 43 43 SER CB C 13 63.916 0.300 . . . . . A 50 SER CB . 19845 1 574 . 1 1 43 43 SER N N 15 118.689 0.300 . . . . . A 50 SER N . 19845 1 575 . 1 1 44 44 LEU H H 1 7.991 0.020 . . . . . A 51 LEU H . 19845 1 576 . 1 1 44 44 LEU HA H 1 4.305 0.020 . . . . . A 51 LEU HA . 19845 1 577 . 1 1 44 44 LEU HB2 H 1 1.503 0.020 . . . . . A 51 LEU HB2 . 19845 1 578 . 1 1 44 44 LEU HB3 H 1 1.503 0.020 . . . . . A 51 LEU HB3 . 19845 1 579 . 1 1 44 44 LEU HG H 1 1.606 0.020 . . . . . A 51 LEU HG . 19845 1 580 . 1 1 44 44 LEU HD11 H 1 0.855 0.020 . . . . . A 51 LEU HD11 . 19845 1 581 . 1 1 44 44 LEU HD12 H 1 0.855 0.020 . . . . . A 51 LEU HD12 . 19845 1 582 . 1 1 44 44 LEU HD13 H 1 0.855 0.020 . . . . . A 51 LEU HD13 . 19845 1 583 . 1 1 44 44 LEU C C 13 174.110 0.300 . . . . . A 51 LEU C . 19845 1 584 . 1 1 44 44 LEU CA C 13 55.145 0.300 . . . . . A 51 LEU CA . 19845 1 585 . 1 1 44 44 LEU CB C 13 42.674 0.300 . . . . . A 51 LEU CB . 19845 1 586 . 1 1 44 44 LEU CG C 13 27.208 0.300 . . . . . A 51 LEU CG . 19845 1 587 . 1 1 44 44 LEU CD1 C 13 25.620 0.300 . . . . . A 51 LEU CD1 . 19845 1 588 . 1 1 44 44 LEU N N 15 123.536 0.300 . . . . . A 51 LEU N . 19845 1 589 . 1 1 45 45 VAL H H 1 7.536 0.020 . . . . . A 52 VAL H . 19845 1 590 . 1 1 45 45 VAL HA H 1 3.992 0.020 . . . . . A 52 VAL HA . 19845 1 591 . 1 1 45 45 VAL HB H 1 2.018 0.020 . . . . . A 52 VAL HB . 19845 1 592 . 1 1 45 45 VAL HG11 H 1 0.861 0.020 . . . . . A 52 VAL HG11 . 19845 1 593 . 1 1 45 45 VAL HG12 H 1 0.861 0.020 . . . . . A 52 VAL HG12 . 19845 1 594 . 1 1 45 45 VAL HG13 H 1 0.861 0.020 . . . . . A 52 VAL HG13 . 19845 1 595 . 1 1 45 45 VAL HG21 H 1 0.855 0.020 . . . . . A 52 VAL HG21 . 19845 1 596 . 1 1 45 45 VAL HG22 H 1 0.855 0.020 . . . . . A 52 VAL HG22 . 19845 1 597 . 1 1 45 45 VAL HG23 H 1 0.855 0.020 . . . . . A 52 VAL HG23 . 19845 1 598 . 1 1 45 45 VAL C C 13 172.476 0.300 . . . . . A 52 VAL C . 19845 1 599 . 1 1 45 45 VAL CA C 13 62.772 0.300 . . . . . A 52 VAL CA . 19845 1 600 . 1 1 45 45 VAL CB C 13 33.066 0.300 . . . . . A 52 VAL CB . 19845 1 601 . 1 1 45 45 VAL CG1 C 13 20.864 0.300 . . . . . A 52 VAL CG1 . 19845 1 602 . 1 1 45 45 VAL CG2 C 13 21.467 0.300 . . . . . A 52 VAL CG2 . 19845 1 603 . 1 1 45 45 VAL N N 15 119.649 0.300 . . . . . A 52 VAL N . 19845 1 604 . 1 1 46 46 LYS H H 1 8.038 0.020 . . . . . A 53 LYS H . 19845 1 605 . 1 1 46 46 LYS HA H 1 4.354 0.020 . . . . . A 53 LYS HA . 19845 1 606 . 1 1 46 46 LYS HB2 H 1 1.868 0.020 . . . . . A 53 LYS HB2 . 19845 1 607 . 1 1 46 46 LYS HB3 H 1 1.778 0.020 . . . . . A 53 LYS HB3 . 19845 1 608 . 1 1 46 46 LYS HG2 H 1 1.501 0.020 . . . . . A 53 LYS HG2 . 19845 1 609 . 1 1 46 46 LYS HG3 H 1 1.416 0.020 . . . . . A 53 LYS HG3 . 19845 1 610 . 1 1 46 46 LYS HD2 H 1 1.692 0.020 . . . . . A 53 LYS HD2 . 19845 1 611 . 1 1 46 46 LYS HD3 H 1 1.643 0.020 . . . . . A 53 LYS HD3 . 19845 1 612 . 1 1 46 46 LYS HE2 H 1 2.970 0.020 . . . . . A 53 LYS HE2 . 19845 1 613 . 1 1 46 46 LYS HE3 H 1 2.970 0.020 . . . . . A 53 LYS HE3 . 19845 1 614 . 1 1 46 46 LYS CA C 13 56.567 0.300 . . . . . A 53 LYS CA . 19845 1 615 . 1 1 46 46 LYS CB C 13 31.689 0.300 . . . . . A 53 LYS CB . 19845 1 616 . 1 1 46 46 LYS CG C 13 25.097 0.300 . . . . . A 53 LYS CG . 19845 1 617 . 1 1 46 46 LYS CD C 13 29.449 0.300 . . . . . A 53 LYS CD . 19845 1 618 . 1 1 46 46 LYS CE C 13 42.104 0.300 . . . . . A 53 LYS CE . 19845 1 619 . 1 1 46 46 LYS N N 15 122.004 0.300 . . . . . A 53 LYS N . 19845 1 620 . 1 1 47 47 PRO HA H 1 4.353 0.020 . . . . . A 54 PRO HA . 19845 1 621 . 1 1 47 47 PRO HB2 H 1 2.190 0.020 . . . . . A 54 PRO HB2 . 19845 1 622 . 1 1 47 47 PRO HB3 H 1 1.883 0.020 . . . . . A 54 PRO HB3 . 19845 1 623 . 1 1 47 47 PRO HG2 H 1 2.050 0.020 . . . . . A 54 PRO HG2 . 19845 1 624 . 1 1 47 47 PRO HG3 H 1 1.888 0.020 . . . . . A 54 PRO HG3 . 19845 1 625 . 1 1 47 47 PRO HD2 H 1 3.810 0.020 . . . . . A 54 PRO HD2 . 19845 1 626 . 1 1 47 47 PRO HD3 H 1 3.765 0.020 . . . . . A 54 PRO HD3 . 19845 1 627 . 1 1 47 47 PRO CA C 13 65.103 0.300 . . . . . A 54 PRO CA . 19845 1 628 . 1 1 47 47 PRO CB C 13 32.193 0.300 . . . . . A 54 PRO CB . 19845 1 629 . 1 1 47 47 PRO CG C 13 27.772 0.300 . . . . . A 54 PRO CG . 19845 1 630 . 1 1 47 47 PRO CD C 13 50.245 0.300 . . . . . A 54 PRO CD . 19845 1 631 . 1 1 48 48 THR H H 1 7.722 0.020 . . . . . A 55 THR H . 19845 1 632 . 1 1 48 48 THR HA H 1 3.910 0.020 . . . . . A 55 THR HA . 19845 1 633 . 1 1 48 48 THR HB H 1 4.121 0.020 . . . . . A 55 THR HB . 19845 1 634 . 1 1 48 48 THR HG21 H 1 1.172 0.020 . . . . . A 55 THR HG21 . 19845 1 635 . 1 1 48 48 THR HG22 H 1 1.172 0.020 . . . . . A 55 THR HG22 . 19845 1 636 . 1 1 48 48 THR HG23 H 1 1.172 0.020 . . . . . A 55 THR HG23 . 19845 1 637 . 1 1 48 48 THR C C 13 172.822 0.300 . . . . . A 55 THR C . 19845 1 638 . 1 1 48 48 THR CA C 13 65.030 0.300 . . . . . A 55 THR CA . 19845 1 639 . 1 1 48 48 THR CB C 13 68.882 0.300 . . . . . A 55 THR CB . 19845 1 640 . 1 1 48 48 THR CG2 C 13 22.319 0.300 . . . . . A 55 THR CG2 . 19845 1 641 . 1 1 48 48 THR N N 15 111.485 0.300 . . . . . A 55 THR N . 19845 1 642 . 1 1 49 49 VAL H H 1 7.597 0.020 . . . . . A 56 VAL H . 19845 1 643 . 1 1 49 49 VAL HA H 1 3.772 0.020 . . . . . A 56 VAL HA . 19845 1 644 . 1 1 49 49 VAL HB H 1 2.113 0.020 . . . . . A 56 VAL HB . 19845 1 645 . 1 1 49 49 VAL HG11 H 1 0.896 0.020 . . . . . A 56 VAL HG11 . 19845 1 646 . 1 1 49 49 VAL HG12 H 1 0.896 0.020 . . . . . A 56 VAL HG12 . 19845 1 647 . 1 1 49 49 VAL HG13 H 1 0.896 0.020 . . . . . A 56 VAL HG13 . 19845 1 648 . 1 1 49 49 VAL HG21 H 1 0.946 0.020 . . . . . A 56 VAL HG21 . 19845 1 649 . 1 1 49 49 VAL HG22 H 1 0.946 0.020 . . . . . A 56 VAL HG22 . 19845 1 650 . 1 1 49 49 VAL HG23 H 1 0.946 0.020 . . . . . A 56 VAL HG23 . 19845 1 651 . 1 1 49 49 VAL C C 13 174.904 0.300 . . . . . A 56 VAL C . 19845 1 652 . 1 1 49 49 VAL CA C 13 64.971 0.300 . . . . . A 56 VAL CA . 19845 1 653 . 1 1 49 49 VAL CB C 13 31.989 0.300 . . . . . A 56 VAL CB . 19845 1 654 . 1 1 49 49 VAL CG1 C 13 21.196 0.300 . . . . . A 56 VAL CG1 . 19845 1 655 . 1 1 49 49 VAL CG2 C 13 21.773 0.300 . . . . . A 56 VAL CG2 . 19845 1 656 . 1 1 49 49 VAL N N 15 121.165 0.300 . . . . . A 56 VAL N . 19845 1 657 . 1 1 50 50 TYR H H 1 7.964 0.020 . . . . . A 57 TYR H . 19845 1 658 . 1 1 50 50 TYR HA H 1 4.227 0.020 . . . . . A 57 TYR HA . 19845 1 659 . 1 1 50 50 TYR HB2 H 1 3.024 0.020 . . . . . A 57 TYR HB2 . 19845 1 660 . 1 1 50 50 TYR HB3 H 1 3.024 0.020 . . . . . A 57 TYR HB3 . 19845 1 661 . 1 1 50 50 TYR HD1 H 1 6.995 0.020 . . . . . A 57 TYR HD1 . 19845 1 662 . 1 1 50 50 TYR HD2 H 1 6.995 0.020 . . . . . A 57 TYR HD2 . 19845 1 663 . 1 1 50 50 TYR HE1 H 1 6.708 0.020 . . . . . A 57 TYR HE1 . 19845 1 664 . 1 1 50 50 TYR HE2 H 1 6.708 0.020 . . . . . A 57 TYR HE2 . 19845 1 665 . 1 1 50 50 TYR C C 13 174.969 0.300 . . . . . A 57 TYR C . 19845 1 666 . 1 1 50 50 TYR CA C 13 60.755 0.300 . . . . . A 57 TYR CA . 19845 1 667 . 1 1 50 50 TYR CB C 13 38.453 0.300 . . . . . A 57 TYR CB . 19845 1 668 . 1 1 50 50 TYR CD2 C 13 132.020 0.300 . . . . . A 57 TYR CD2 . 19845 1 669 . 1 1 50 50 TYR CE2 C 13 117.758 0.300 . . . . . A 57 TYR CE2 . 19845 1 670 . 1 1 50 50 TYR N N 15 122.177 0.300 . . . . . A 57 TYR N . 19845 1 671 . 1 1 51 51 VAL H H 1 8.018 0.020 . . . . . A 58 VAL H . 19845 1 672 . 1 1 51 51 VAL HA H 1 3.529 0.020 . . . . . A 58 VAL HA . 19845 1 673 . 1 1 51 51 VAL HB H 1 2.126 0.020 . . . . . A 58 VAL HB . 19845 1 674 . 1 1 51 51 VAL HG11 H 1 1.068 0.020 . . . . . A 58 VAL HG11 . 19845 1 675 . 1 1 51 51 VAL HG12 H 1 1.068 0.020 . . . . . A 58 VAL HG12 . 19845 1 676 . 1 1 51 51 VAL HG13 H 1 1.068 0.020 . . . . . A 58 VAL HG13 . 19845 1 677 . 1 1 51 51 VAL HG21 H 1 0.882 0.020 . . . . . A 58 VAL HG21 . 19845 1 678 . 1 1 51 51 VAL HG22 H 1 0.882 0.020 . . . . . A 58 VAL HG22 . 19845 1 679 . 1 1 51 51 VAL HG23 H 1 0.882 0.020 . . . . . A 58 VAL HG23 . 19845 1 680 . 1 1 51 51 VAL C C 13 174.250 0.300 . . . . . A 58 VAL C . 19845 1 681 . 1 1 51 51 VAL CA C 13 66.223 0.300 . . . . . A 58 VAL CA . 19845 1 682 . 1 1 51 51 VAL CB C 13 31.803 0.300 . . . . . A 58 VAL CB . 19845 1 683 . 1 1 51 51 VAL CG1 C 13 22.739 0.300 . . . . . A 58 VAL CG1 . 19845 1 684 . 1 1 51 51 VAL CG2 C 13 21.699 0.300 . . . . . A 58 VAL CG2 . 19845 1 685 . 1 1 51 51 VAL N N 15 119.069 0.300 . . . . . A 58 VAL N . 19845 1 686 . 1 1 52 52 TYR H H 1 8.142 0.020 . . . . . A 59 TYR H . 19845 1 687 . 1 1 52 52 TYR HA H 1 4.115 0.020 . . . . . A 59 TYR HA . 19845 1 688 . 1 1 52 52 TYR HB2 H 1 3.016 0.020 . . . . . A 59 TYR HB2 . 19845 1 689 . 1 1 52 52 TYR HB3 H 1 3.016 0.020 . . . . . A 59 TYR HB3 . 19845 1 690 . 1 1 52 52 TYR HD1 H 1 6.943 0.020 . . . . . A 59 TYR HD1 . 19845 1 691 . 1 1 52 52 TYR HD2 H 1 6.943 0.020 . . . . . A 59 TYR HD2 . 19845 1 692 . 1 1 52 52 TYR HE1 H 1 6.692 0.020 . . . . . A 59 TYR HE1 . 19845 1 693 . 1 1 52 52 TYR HE2 H 1 6.692 0.020 . . . . . A 59 TYR HE2 . 19845 1 694 . 1 1 52 52 TYR C C 13 173.899 0.300 . . . . . A 59 TYR C . 19845 1 695 . 1 1 52 52 TYR CA C 13 60.929 0.300 . . . . . A 59 TYR CA . 19845 1 696 . 1 1 52 52 TYR CB C 13 38.602 0.300 . . . . . A 59 TYR CB . 19845 1 697 . 1 1 52 52 TYR CD2 C 13 131.980 0.300 . . . . . A 59 TYR CD2 . 19845 1 698 . 1 1 52 52 TYR CE2 C 13 117.244 0.300 . . . . . A 59 TYR CE2 . 19845 1 699 . 1 1 52 52 TYR N N 15 120.360 0.300 . . . . . A 59 TYR N . 19845 1 700 . 1 1 53 53 SER H H 1 8.057 0.020 . . . . . A 60 SER H . 19845 1 701 . 1 1 53 53 SER HA H 1 3.979 0.020 . . . . . A 60 SER HA . 19845 1 702 . 1 1 53 53 SER HB2 H 1 3.871 0.020 . . . . . A 60 SER HB2 . 19845 1 703 . 1 1 53 53 SER HB3 H 1 3.871 0.020 . . . . . A 60 SER HB3 . 19845 1 704 . 1 1 53 53 SER C C 13 172.887 0.300 . . . . . A 60 SER C . 19845 1 705 . 1 1 53 53 SER CA C 13 60.987 0.300 . . . . . A 60 SER CA . 19845 1 706 . 1 1 53 53 SER CB C 13 63.267 0.300 . . . . . A 60 SER CB . 19845 1 707 . 1 1 53 53 SER N N 15 113.480 0.300 . . . . . A 60 SER N . 19845 1 708 . 1 1 54 54 ARG H H 1 7.606 0.020 . . . . . A 61 ARG H . 19845 1 709 . 1 1 54 54 ARG HA H 1 4.103 0.020 . . . . . A 61 ARG HA . 19845 1 710 . 1 1 54 54 ARG HB2 H 1 1.811 0.020 . . . . . A 61 ARG HB2 . 19845 1 711 . 1 1 54 54 ARG HB3 H 1 1.722 0.020 . . . . . A 61 ARG HB3 . 19845 1 712 . 1 1 54 54 ARG HG2 H 1 1.497 0.020 . . . . . A 61 ARG HG2 . 19845 1 713 . 1 1 54 54 ARG HG3 H 1 1.451 0.020 . . . . . A 61 ARG HG3 . 19845 1 714 . 1 1 54 54 ARG HD2 H 1 3.035 0.020 . . . . . A 61 ARG HD2 . 19845 1 715 . 1 1 54 54 ARG HD3 H 1 2.963 0.020 . . . . . A 61 ARG HD3 . 19845 1 716 . 1 1 54 54 ARG HE H 1 7.039 0.020 . . . . . A 61 ARG HE . 19845 1 717 . 1 1 54 54 ARG C C 13 175.399 0.300 . . . . . A 61 ARG C . 19845 1 718 . 1 1 54 54 ARG CA C 13 57.427 0.300 . . . . . A 61 ARG CA . 19845 1 719 . 1 1 54 54 ARG CB C 13 30.008 0.300 . . . . . A 61 ARG CB . 19845 1 720 . 1 1 54 54 ARG CG C 13 27.275 0.300 . . . . . A 61 ARG CG . 19845 1 721 . 1 1 54 54 ARG CD C 13 42.811 0.300 . . . . . A 61 ARG CD . 19845 1 722 . 1 1 54 54 ARG N N 15 120.962 0.300 . . . . . A 61 ARG N . 19845 1 723 . 1 1 54 54 ARG NE N 15 84.354 0.300 . . . . . A 61 ARG NE . 19845 1 724 . 1 1 55 55 VAL H H 1 7.848 0.020 . . . . . A 62 VAL H . 19845 1 725 . 1 1 55 55 VAL HA H 1 3.805 0.020 . . . . . A 62 VAL HA . 19845 1 726 . 1 1 55 55 VAL HB H 1 2.068 0.020 . . . . . A 62 VAL HB . 19845 1 727 . 1 1 55 55 VAL HG11 H 1 0.944 0.020 . . . . . A 62 VAL HG11 . 19845 1 728 . 1 1 55 55 VAL HG12 H 1 0.944 0.020 . . . . . A 62 VAL HG12 . 19845 1 729 . 1 1 55 55 VAL HG13 H 1 0.944 0.020 . . . . . A 62 VAL HG13 . 19845 1 730 . 1 1 55 55 VAL HG21 H 1 0.882 0.020 . . . . . A 62 VAL HG21 . 19845 1 731 . 1 1 55 55 VAL HG22 H 1 0.882 0.020 . . . . . A 62 VAL HG22 . 19845 1 732 . 1 1 55 55 VAL HG23 H 1 0.882 0.020 . . . . . A 62 VAL HG23 . 19845 1 733 . 1 1 55 55 VAL C C 13 174.155 0.300 . . . . . A 62 VAL C . 19845 1 734 . 1 1 55 55 VAL CA C 13 64.458 0.300 . . . . . A 62 VAL CA . 19845 1 735 . 1 1 55 55 VAL CB C 13 31.969 0.300 . . . . . A 62 VAL CB . 19845 1 736 . 1 1 55 55 VAL CG1 C 13 22.263 0.300 . . . . . A 62 VAL CG1 . 19845 1 737 . 1 1 55 55 VAL CG2 C 13 21.552 0.300 . . . . . A 62 VAL CG2 . 19845 1 738 . 1 1 55 55 VAL N N 15 117.852 0.300 . . . . . A 62 VAL N . 19845 1 739 . 1 1 56 56 LYS H H 1 7.759 0.020 . . . . . A 63 LYS H . 19845 1 740 . 1 1 56 56 LYS HA H 1 4.051 0.020 . . . . . A 63 LYS HA . 19845 1 741 . 1 1 56 56 LYS HB2 H 1 1.572 0.020 . . . . . A 63 LYS HB2 . 19845 1 742 . 1 1 56 56 LYS HB3 H 1 1.502 0.020 . . . . . A 63 LYS HB3 . 19845 1 743 . 1 1 56 56 LYS HG2 H 1 1.150 0.020 . . . . . A 63 LYS HG2 . 19845 1 744 . 1 1 56 56 LYS HG3 H 1 1.150 0.020 . . . . . A 63 LYS HG3 . 19845 1 745 . 1 1 56 56 LYS HD2 H 1 1.457 0.020 . . . . . A 63 LYS HD2 . 19845 1 746 . 1 1 56 56 LYS HD3 H 1 1.457 0.020 . . . . . A 63 LYS HD3 . 19845 1 747 . 1 1 56 56 LYS HE2 H 1 2.868 0.020 . . . . . A 63 LYS HE2 . 19845 1 748 . 1 1 56 56 LYS HE3 H 1 2.815 0.020 . . . . . A 63 LYS HE3 . 19845 1 749 . 1 1 56 56 LYS C C 13 173.615 0.300 . . . . . A 63 LYS C . 19845 1 750 . 1 1 56 56 LYS CA C 13 56.727 0.300 . . . . . A 63 LYS CA . 19845 1 751 . 1 1 56 56 LYS CB C 13 32.105 0.300 . . . . . A 63 LYS CB . 19845 1 752 . 1 1 56 56 LYS CG C 13 24.482 0.300 . . . . . A 63 LYS CG . 19845 1 753 . 1 1 56 56 LYS CD C 13 28.869 0.300 . . . . . A 63 LYS CD . 19845 1 754 . 1 1 56 56 LYS CE C 13 42.115 0.300 . . . . . A 63 LYS CE . 19845 1 755 . 1 1 56 56 LYS N N 15 119.254 0.300 . . . . . A 63 LYS N . 19845 1 756 . 1 1 57 57 ASN H H 1 7.615 0.020 . . . . . A 64 ASN H . 19845 1 757 . 1 1 57 57 ASN HA H 1 4.642 0.020 . . . . . A 64 ASN HA . 19845 1 758 . 1 1 57 57 ASN HB2 H 1 2.863 0.020 . . . . . A 64 ASN HB2 . 19845 1 759 . 1 1 57 57 ASN HB3 H 1 2.626 0.020 . . . . . A 64 ASN HB3 . 19845 1 760 . 1 1 57 57 ASN HD21 H 1 6.751 0.020 . . . . . A 64 ASN HD21 . 19845 1 761 . 1 1 57 57 ASN HD22 H 1 7.465 0.020 . . . . . A 64 ASN HD22 . 19845 1 762 . 1 1 57 57 ASN C C 13 171.750 0.300 . . . . . A 64 ASN C . 19845 1 763 . 1 1 57 57 ASN CA C 13 53.313 0.300 . . . . . A 64 ASN CA . 19845 1 764 . 1 1 57 57 ASN CB C 13 39.260 0.300 . . . . . A 64 ASN CB . 19845 1 765 . 1 1 57 57 ASN N N 15 117.696 0.300 . . . . . A 64 ASN N . 19845 1 766 . 1 1 57 57 ASN ND2 N 15 113.802 0.300 . . . . . A 64 ASN ND2 . 19845 1 767 . 1 1 58 58 LEU H H 1 7.492 0.020 . . . . . A 65 LEU H . 19845 1 768 . 1 1 58 58 LEU HA H 1 4.067 0.020 . . . . . A 65 LEU HA . 19845 1 769 . 1 1 58 58 LEU HB2 H 1 1.626 0.020 . . . . . A 65 LEU HB2 . 19845 1 770 . 1 1 58 58 LEU HB3 H 1 1.510 0.020 . . . . . A 65 LEU HB3 . 19845 1 771 . 1 1 58 58 LEU HG H 1 1.655 0.020 . . . . . A 65 LEU HG . 19845 1 772 . 1 1 58 58 LEU HD11 H 1 0.863 0.020 . . . . . A 65 LEU HD11 . 19845 1 773 . 1 1 58 58 LEU HD12 H 1 0.863 0.020 . . . . . A 65 LEU HD12 . 19845 1 774 . 1 1 58 58 LEU HD13 H 1 0.863 0.020 . . . . . A 65 LEU HD13 . 19845 1 775 . 1 1 58 58 LEU HD21 H 1 0.808 0.020 . . . . . A 65 LEU HD21 . 19845 1 776 . 1 1 58 58 LEU HD22 H 1 0.808 0.020 . . . . . A 65 LEU HD22 . 19845 1 777 . 1 1 58 58 LEU HD23 H 1 0.808 0.020 . . . . . A 65 LEU HD23 . 19845 1 778 . 1 1 58 58 LEU C C 13 178.928 0.300 . . . . . A 65 LEU C . 19845 1 779 . 1 1 58 58 LEU CA C 13 56.778 0.300 . . . . . A 65 LEU CA . 19845 1 780 . 1 1 58 58 LEU CB C 13 42.873 0.300 . . . . . A 65 LEU CB . 19845 1 781 . 1 1 58 58 LEU CG C 13 27.062 0.300 . . . . . A 65 LEU CG . 19845 1 782 . 1 1 58 58 LEU CD1 C 13 25.454 0.300 . . . . . A 65 LEU CD1 . 19845 1 783 . 1 1 58 58 LEU CD2 C 13 23.620 0.300 . . . . . A 65 LEU CD2 . 19845 1 784 . 1 1 58 58 LEU N N 15 126.142 0.300 . . . . . A 65 LEU N . 19845 1 stop_ save_