data_25428 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25428 _Entry.Title ; NMR structure of the acidic domain of SYNCRIP (hnRNPQ) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-14 _Entry.Accession_date 2015-01-14 _Entry.Last_release_date 2016-08-30 _Entry.Original_release_date 2016-08-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Pedro Serrano . . . . 25428 2 Kurt Wuthrich . . . . 25428 3 Christine Beuck . . . . 25428 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 PSI:Biology 'Joint Center for Structural Genomics' . 25428 2 PSI:Biology 'Partnership for T-Cell Biology' . 25428 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Acidic domain' . 25428 SYNCRIP . 25428 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25428 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 25428 '15N chemical shifts' 92 25428 '1H chemical shifts' 591 25428 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 . . 2016-08-30 2015-01-14 update BMRB 'update entry citation' 25428 1 . . 2015-01-20 2015-01-14 original author 'original release' 25428 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MXT 'BMRB Entry Tracking System' 25428 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25428 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27081926 _Citation.Full_citation . _Citation.Title ; The acidic domain is a unique structural feature of the splicing factor SYNCRIP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 8 _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 1545 _Citation.Page_last 1550 _Citation.Year 2016 _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 Christine Beuck . . . . 25428 1 2 James Williamson . R. . . 25428 1 3 Kurt Wuthrich . . . . 25428 1 4 Pedro Serrano . . . . 25428 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25428 _Assembly.ID 1 _Assembly.Name 'acidic domain of SYNCRIP (hnRNPQ)' _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 entity 1 $entity A . yes native no no . . . 25428 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25428 _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 ; GSENFQTLLDAGLPQKVAEK LDEIYVAGLVAHSDLDERAI EALKEFNEDGALAVLQQFKD SDLSHVQNKSAFLCGVMKTY RQREK ; _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9494.729 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25428 1 2 2 SER . 25428 1 3 3 GLU . 25428 1 4 4 ASN . 25428 1 5 5 PHE . 25428 1 6 6 GLN . 25428 1 7 7 THR . 25428 1 8 8 LEU . 25428 1 9 9 LEU . 25428 1 10 10 ASP . 25428 1 11 11 ALA . 25428 1 12 12 GLY . 25428 1 13 13 LEU . 25428 1 14 14 PRO . 25428 1 15 15 GLN . 25428 1 16 16 LYS . 25428 1 17 17 VAL . 25428 1 18 18 ALA . 25428 1 19 19 GLU . 25428 1 20 20 LYS . 25428 1 21 21 LEU . 25428 1 22 22 ASP . 25428 1 23 23 GLU . 25428 1 24 24 ILE . 25428 1 25 25 TYR . 25428 1 26 26 VAL . 25428 1 27 27 ALA . 25428 1 28 28 GLY . 25428 1 29 29 LEU . 25428 1 30 30 VAL . 25428 1 31 31 ALA . 25428 1 32 32 HIS . 25428 1 33 33 SER . 25428 1 34 34 ASP . 25428 1 35 35 LEU . 25428 1 36 36 ASP . 25428 1 37 37 GLU . 25428 1 38 38 ARG . 25428 1 39 39 ALA . 25428 1 40 40 ILE . 25428 1 41 41 GLU . 25428 1 42 42 ALA . 25428 1 43 43 LEU . 25428 1 44 44 LYS . 25428 1 45 45 GLU . 25428 1 46 46 PHE . 25428 1 47 47 ASN . 25428 1 48 48 GLU . 25428 1 49 49 ASP . 25428 1 50 50 GLY . 25428 1 51 51 ALA . 25428 1 52 52 LEU . 25428 1 53 53 ALA . 25428 1 54 54 VAL . 25428 1 55 55 LEU . 25428 1 56 56 GLN . 25428 1 57 57 GLN . 25428 1 58 58 PHE . 25428 1 59 59 LYS . 25428 1 60 60 ASP . 25428 1 61 61 SER . 25428 1 62 62 ASP . 25428 1 63 63 LEU . 25428 1 64 64 SER . 25428 1 65 65 HIS . 25428 1 66 66 VAL . 25428 1 67 67 GLN . 25428 1 68 68 ASN . 25428 1 69 69 LYS . 25428 1 70 70 SER . 25428 1 71 71 ALA . 25428 1 72 72 PHE . 25428 1 73 73 LEU . 25428 1 74 74 CYS . 25428 1 75 75 GLY . 25428 1 76 76 VAL . 25428 1 77 77 MET . 25428 1 78 78 LYS . 25428 1 79 79 THR . 25428 1 80 80 TYR . 25428 1 81 81 ARG . 25428 1 82 82 GLN . 25428 1 83 83 ARG . 25428 1 84 84 GLU . 25428 1 85 85 LYS . 25428 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25428 1 . SER 2 2 25428 1 . GLU 3 3 25428 1 . ASN 4 4 25428 1 . PHE 5 5 25428 1 . GLN 6 6 25428 1 . THR 7 7 25428 1 . LEU 8 8 25428 1 . LEU 9 9 25428 1 . ASP 10 10 25428 1 . ALA 11 11 25428 1 . GLY 12 12 25428 1 . LEU 13 13 25428 1 . PRO 14 14 25428 1 . GLN 15 15 25428 1 . LYS 16 16 25428 1 . VAL 17 17 25428 1 . ALA 18 18 25428 1 . GLU 19 19 25428 1 . LYS 20 20 25428 1 . LEU 21 21 25428 1 . ASP 22 22 25428 1 . GLU 23 23 25428 1 . ILE 24 24 25428 1 . TYR 25 25 25428 1 . VAL 26 26 25428 1 . ALA 27 27 25428 1 . GLY 28 28 25428 1 . LEU 29 29 25428 1 . VAL 30 30 25428 1 . ALA 31 31 25428 1 . HIS 32 32 25428 1 . SER 33 33 25428 1 . ASP 34 34 25428 1 . LEU 35 35 25428 1 . ASP 36 36 25428 1 . GLU 37 37 25428 1 . ARG 38 38 25428 1 . ALA 39 39 25428 1 . ILE 40 40 25428 1 . GLU 41 41 25428 1 . ALA 42 42 25428 1 . LEU 43 43 25428 1 . LYS 44 44 25428 1 . GLU 45 45 25428 1 . PHE 46 46 25428 1 . ASN 47 47 25428 1 . GLU 48 48 25428 1 . ASP 49 49 25428 1 . GLY 50 50 25428 1 . ALA 51 51 25428 1 . LEU 52 52 25428 1 . ALA 53 53 25428 1 . VAL 54 54 25428 1 . LEU 55 55 25428 1 . GLN 56 56 25428 1 . GLN 57 57 25428 1 . PHE 58 58 25428 1 . LYS 59 59 25428 1 . ASP 60 60 25428 1 . SER 61 61 25428 1 . ASP 62 62 25428 1 . LEU 63 63 25428 1 . SER 64 64 25428 1 . HIS 65 65 25428 1 . VAL 66 66 25428 1 . GLN 67 67 25428 1 . ASN 68 68 25428 1 . LYS 69 69 25428 1 . SER 70 70 25428 1 . ALA 71 71 25428 1 . PHE 72 72 25428 1 . LEU 73 73 25428 1 . CYS 74 74 25428 1 . GLY 75 75 25428 1 . VAL 76 76 25428 1 . MET 77 77 25428 1 . LYS 78 78 25428 1 . THR 79 79 25428 1 . TYR 80 80 25428 1 . ARG 81 81 25428 1 . GLN 82 82 25428 1 . ARG 83 83 25428 1 . GLU 84 84 25428 1 . LYS 85 85 25428 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 25428 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25428 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 25428 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET28b . . . 25428 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25428 _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 entity '[U-99% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25428 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25428 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25428 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25428 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25428 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25428 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 25428 _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' 0.0798 . M 25428 1 pH 6.0 . pH 25428 1 pressure 1 . atm 25428 1 temperature 298 . K 25428 1 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 25428 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25428 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25428 _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 . 600 . . . 25428 1 2 spectrometer_2 Bruker Avance . 800 . . . 25428 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 25428 _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 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25428 1 2 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25428 1 3 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25428 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25428 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25428 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25428 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25428 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 25428 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25428 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25428 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25428 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 25428 _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 0.008 _Assigned_chem_shift_list.Chem_shift_13C_err 0.19 _Assigned_chem_shift_list.Chem_shift_15N_err 0.14 _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 'APSY 4D-HACANH' . . . 25428 1 2 'APSY 5D-HACACONH' . . . 25428 1 3 'APSY 5D-CBCACONH' . . . 25428 1 5 '3D 1H-15N NOESY' . . . 25428 1 6 '3D 1H-13C NOESY aliphatic' . . . 25428 1 7 '3D 1H-13C NOESY aromatic' . . . 25428 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 GLY HA3 H 1 3.538 0.008 . . . . . A 1 GLY HA3 . 25428 1 2 . 1 1 1 1 GLY C C 13 167.631 0.19 . . . . . A 1 GLY C . 25428 1 3 . 1 1 1 1 GLY CA C 13 40.513 0.19 . . . . . A 1 GLY CA . 25428 1 4 . 1 1 2 2 SER H H 1 9.740 0.008 . . . . . A 2 SER H . 25428 1 5 . 1 1 2 2 SER HA H 1 4.509 0.008 . . . . . A 2 SER HA . 25428 1 6 . 1 1 2 2 SER HB2 H 1 3.929 0.008 . . . . . A 2 SER HB2 . 25428 1 7 . 1 1 2 2 SER HB3 H 1 4.111 0.008 . . . . . A 2 SER HB3 . 25428 1 8 . 1 1 2 2 SER C C 13 172.827 0.19 . . . . . A 2 SER C . 25428 1 9 . 1 1 2 2 SER CA C 13 55.872 0.19 . . . . . A 2 SER CA . 25428 1 10 . 1 1 2 2 SER CB C 13 61.645 0.19 . . . . . A 2 SER CB . 25428 1 11 . 1 1 2 2 SER N N 15 119.046 0.14 . . . . . A 2 SER N . 25428 1 12 . 1 1 3 3 GLU H H 1 9.169 0.008 . . . . . A 3 GLU H . 25428 1 13 . 1 1 3 3 GLU HA H 1 4.172 0.008 . . . . . A 3 GLU HA . 25428 1 14 . 1 1 3 3 GLU HB2 H 1 1.965 0.008 . . . . . A 3 GLU HB2 . 25428 1 15 . 1 1 3 3 GLU HB3 H 1 1.965 0.008 . . . . . A 3 GLU HB3 . 25428 1 16 . 1 1 3 3 GLU HG2 H 1 2.203 0.008 . . . . . A 3 GLU HG2 . 25428 1 17 . 1 1 3 3 GLU HG3 H 1 2.203 0.008 . . . . . A 3 GLU HG3 . 25428 1 18 . 1 1 3 3 GLU C C 13 174.375 0.19 . . . . . A 3 GLU C . 25428 1 19 . 1 1 3 3 GLU CA C 13 55.645 0.19 . . . . . A 3 GLU CA . 25428 1 20 . 1 1 3 3 GLU CB C 13 26.263 0.19 . . . . . A 3 GLU CB . 25428 1 21 . 1 1 3 3 GLU CG C 13 33.043 0.19 . . . . . A 3 GLU CG . 25428 1 22 . 1 1 3 3 GLU N N 15 121.401 0.14 . . . . . A 3 GLU N . 25428 1 23 . 1 1 4 4 ASN H H 1 8.430 0.008 . . . . . A 4 ASN H . 25428 1 24 . 1 1 4 4 ASN HA H 1 4.539 0.008 . . . . . A 4 ASN HA . 25428 1 25 . 1 1 4 4 ASN HB2 H 1 2.425 0.008 . . . . . A 4 ASN HB2 . 25428 1 26 . 1 1 4 4 ASN HB3 H 1 2.460 0.008 . . . . . A 4 ASN HB3 . 25428 1 27 . 1 1 4 4 ASN HD21 H 1 7.582 0.008 . . . . . A 4 ASN HD21 . 25428 1 28 . 1 1 4 4 ASN HD22 H 1 6.593 0.008 . . . . . A 4 ASN HD22 . 25428 1 29 . 1 1 4 4 ASN C C 13 172.792 0.19 . . . . . A 4 ASN C . 25428 1 30 . 1 1 4 4 ASN CA C 13 51.568 0.19 . . . . . A 4 ASN CA . 25428 1 31 . 1 1 4 4 ASN CB C 13 36.628 0.19 . . . . . A 4 ASN CB . 25428 1 32 . 1 1 4 4 ASN N N 15 117.467 0.14 . . . . . A 4 ASN N . 25428 1 33 . 1 1 4 4 ASN ND2 N 15 113.856 0.14 . . . . . A 4 ASN ND2 . 25428 1 34 . 1 1 5 5 PHE H H 1 7.815 0.008 . . . . . A 5 PHE H . 25428 1 35 . 1 1 5 5 PHE HA H 1 3.979 0.008 . . . . . A 5 PHE HA . 25428 1 36 . 1 1 5 5 PHE HB2 H 1 2.982 0.008 . . . . . A 5 PHE HB2 . 25428 1 37 . 1 1 5 5 PHE HB3 H 1 3.206 0.008 . . . . . A 5 PHE HB3 . 25428 1 38 . 1 1 5 5 PHE HD1 H 1 7.009 0.008 . . . . . A 5 PHE HD1 . 25428 1 39 . 1 1 5 5 PHE HD2 H 1 7.009 0.008 . . . . . A 5 PHE HD2 . 25428 1 40 . 1 1 5 5 PHE HE1 H 1 7.166 0.008 . . . . . A 5 PHE HE1 . 25428 1 41 . 1 1 5 5 PHE HE2 H 1 7.166 0.008 . . . . . A 5 PHE HE2 . 25428 1 42 . 1 1 5 5 PHE HZ H 1 7.170 0.008 . . . . . A 5 PHE HZ . 25428 1 43 . 1 1 5 5 PHE CA C 13 58.679 0.19 . . . . . A 5 PHE CA . 25428 1 44 . 1 1 5 5 PHE CB C 13 36.226 0.19 . . . . . A 5 PHE CB . 25428 1 45 . 1 1 5 5 PHE CD2 C 13 128.741 0.19 . . . . . A 5 PHE CD2 . 25428 1 46 . 1 1 5 5 PHE CE2 C 13 128.690 0.19 . . . . . A 5 PHE CE2 . 25428 1 47 . 1 1 5 5 PHE CZ C 13 126.930 0.19 . . . . . A 5 PHE CZ . 25428 1 48 . 1 1 5 5 PHE N N 15 121.588 0.14 . . . . . A 5 PHE N . 25428 1 49 . 1 1 6 6 GLN H H 1 8.308 0.008 . . . . . A 6 GLN H . 25428 1 50 . 1 1 6 6 GLN HA H 1 3.478 0.008 . . . . . A 6 GLN HA . 25428 1 51 . 1 1 6 6 GLN HB2 H 1 2.092 0.008 . . . . . A 6 GLN HB2 . 25428 1 52 . 1 1 6 6 GLN HB3 H 1 1.958 0.008 . . . . . A 6 GLN HB3 . 25428 1 53 . 1 1 6 6 GLN HG2 H 1 2.283 0.008 . . . . . A 6 GLN HG2 . 25428 1 54 . 1 1 6 6 GLN HG3 H 1 2.283 0.008 . . . . . A 6 GLN HG3 . 25428 1 55 . 1 1 6 6 GLN HE21 H 1 6.713 0.008 . . . . . A 6 GLN HE21 . 25428 1 56 . 1 1 6 6 GLN HE22 H 1 7.731 0.008 . . . . . A 6 GLN HE22 . 25428 1 57 . 1 1 6 6 GLN C C 13 174.670 0.19 . . . . . A 6 GLN C . 25428 1 58 . 1 1 6 6 GLN CA C 13 55.301 0.19 . . . . . A 6 GLN CA . 25428 1 59 . 1 1 6 6 GLN CB C 13 25.257 0.19 . . . . . A 6 GLN CB . 25428 1 60 . 1 1 6 6 GLN CG C 13 30.646 0.19 . . . . . A 6 GLN CG . 25428 1 61 . 1 1 6 6 GLN N N 15 117.868 0.14 . . . . . A 6 GLN N . 25428 1 62 . 1 1 6 6 GLN NE2 N 15 115.986 0.14 . . . . . A 6 GLN NE2 . 25428 1 63 . 1 1 7 7 THR H H 1 7.586 0.008 . . . . . A 7 THR H . 25428 1 64 . 1 1 7 7 THR HA H 1 3.862 0.008 . . . . . A 7 THR HA . 25428 1 65 . 1 1 7 7 THR HB H 1 4.061 0.008 . . . . . A 7 THR HB . 25428 1 66 . 1 1 7 7 THR HG21 H 1 1.120 0.008 . . . . . A 7 THR HG21 . 25428 1 67 . 1 1 7 7 THR HG22 H 1 1.120 0.008 . . . . . A 7 THR HG22 . 25428 1 68 . 1 1 7 7 THR HG23 H 1 1.120 0.008 . . . . . A 7 THR HG23 . 25428 1 69 . 1 1 7 7 THR C C 13 173.949 0.19 . . . . . A 7 THR C . 25428 1 70 . 1 1 7 7 THR CA C 13 62.909 0.19 . . . . . A 7 THR CA . 25428 1 71 . 1 1 7 7 THR CB C 13 65.814 0.19 . . . . . A 7 THR CB . 25428 1 72 . 1 1 7 7 THR CG2 C 13 19.150 0.19 . . . . . A 7 THR CG2 . 25428 1 73 . 1 1 7 7 THR N N 15 114.124 0.14 . . . . . A 7 THR N . 25428 1 74 . 1 1 8 8 LEU H H 1 7.459 0.008 . . . . . A 8 LEU H . 25428 1 75 . 1 1 8 8 LEU HA H 1 3.893 0.008 . . . . . A 8 LEU HA . 25428 1 76 . 1 1 8 8 LEU HB2 H 1 1.045 0.008 . . . . . A 8 LEU HB2 . 25428 1 77 . 1 1 8 8 LEU HB3 H 1 1.936 0.008 . . . . . A 8 LEU HB3 . 25428 1 78 . 1 1 8 8 LEU HG H 1 1.807 0.008 . . . . . A 8 LEU HG . 25428 1 79 . 1 1 8 8 LEU HD11 H 1 0.751 0.008 . . . . . A 8 LEU HD11 . 25428 1 80 . 1 1 8 8 LEU HD12 H 1 0.751 0.008 . . . . . A 8 LEU HD12 . 25428 1 81 . 1 1 8 8 LEU HD13 H 1 0.751 0.008 . . . . . A 8 LEU HD13 . 25428 1 82 . 1 1 8 8 LEU HD21 H 1 0.838 0.008 . . . . . A 8 LEU HD21 . 25428 1 83 . 1 1 8 8 LEU HD22 H 1 0.838 0.008 . . . . . A 8 LEU HD22 . 25428 1 84 . 1 1 8 8 LEU HD23 H 1 0.838 0.008 . . . . . A 8 LEU HD23 . 25428 1 85 . 1 1 8 8 LEU C C 13 175.915 0.19 . . . . . A 8 LEU C . 25428 1 86 . 1 1 8 8 LEU CA C 13 54.612 0.19 . . . . . A 8 LEU CA . 25428 1 87 . 1 1 8 8 LEU CB C 13 39.027 0.19 . . . . . A 8 LEU CB . 25428 1 88 . 1 1 8 8 LEU CG C 13 23.422 0.19 . . . . . A 8 LEU CG . 25428 1 89 . 1 1 8 8 LEU CD1 C 13 19.227 0.19 . . . . . A 8 LEU CD1 . 25428 1 90 . 1 1 8 8 LEU CD2 C 13 23.736 0.19 . . . . . A 8 LEU CD2 . 25428 1 91 . 1 1 8 8 LEU N N 15 121.809 0.14 . . . . . A 8 LEU N . 25428 1 92 . 1 1 9 9 LEU H H 1 7.375 0.008 . . . . . A 9 LEU H . 25428 1 93 . 1 1 9 9 LEU HA H 1 3.999 0.008 . . . . . A 9 LEU HA . 25428 1 94 . 1 1 9 9 LEU HB2 H 1 1.541 0.008 . . . . . A 9 LEU HB2 . 25428 1 95 . 1 1 9 9 LEU HB3 H 1 1.244 0.008 . . . . . A 9 LEU HB3 . 25428 1 96 . 1 1 9 9 LEU HG H 1 0.996 0.008 . . . . . A 9 LEU HG . 25428 1 97 . 1 1 9 9 LEU HD11 H 1 0.534 0.008 . . . . . A 9 LEU HD11 . 25428 1 98 . 1 1 9 9 LEU HD12 H 1 0.534 0.008 . . . . . A 9 LEU HD12 . 25428 1 99 . 1 1 9 9 LEU HD13 H 1 0.534 0.008 . . . . . A 9 LEU HD13 . 25428 1 100 . 1 1 9 9 LEU HD21 H 1 0.572 0.008 . . . . . A 9 LEU HD21 . 25428 1 101 . 1 1 9 9 LEU HD22 H 1 0.572 0.008 . . . . . A 9 LEU HD22 . 25428 1 102 . 1 1 9 9 LEU HD23 H 1 0.572 0.008 . . . . . A 9 LEU HD23 . 25428 1 103 . 1 1 9 9 LEU C C 13 179.642 0.19 . . . . . A 9 LEU C . 25428 1 104 . 1 1 9 9 LEU CA C 13 54.393 0.19 . . . . . A 9 LEU CA . 25428 1 105 . 1 1 9 9 LEU CB C 13 38.343 0.19 . . . . . A 9 LEU CB . 25428 1 106 . 1 1 9 9 LEU CG C 13 23.177 0.19 . . . . . A 9 LEU CG . 25428 1 107 . 1 1 9 9 LEU CD1 C 13 19.695 0.19 . . . . . A 9 LEU CD1 . 25428 1 108 . 1 1 9 9 LEU CD2 C 13 22.999 0.19 . . . . . A 9 LEU CD2 . 25428 1 109 . 1 1 9 9 LEU N N 15 119.407 0.14 . . . . . A 9 LEU N . 25428 1 110 . 1 1 10 10 ASP H H 1 8.679 0.008 . . . . . A 10 ASP H . 25428 1 111 . 1 1 10 10 ASP HA H 1 4.229 0.008 . . . . . A 10 ASP HA . 25428 1 112 . 1 1 10 10 ASP HB2 H 1 2.576 0.008 . . . . . A 10 ASP HB2 . 25428 1 113 . 1 1 10 10 ASP HB3 H 1 2.652 0.008 . . . . . A 10 ASP HB3 . 25428 1 114 . 1 1 10 10 ASP C C 13 174.743 0.19 . . . . . A 10 ASP C . 25428 1 115 . 1 1 10 10 ASP CA C 13 53.829 0.19 . . . . . A 10 ASP CA . 25428 1 116 . 1 1 10 10 ASP CB C 13 36.965 0.19 . . . . . A 10 ASP CB . 25428 1 117 . 1 1 10 10 ASP N N 15 122.019 0.14 . . . . . A 10 ASP N . 25428 1 118 . 1 1 11 11 ALA H H 1 7.393 0.008 . . . . . A 11 ALA H . 25428 1 119 . 1 1 11 11 ALA HA H 1 4.208 0.008 . . . . . A 11 ALA HA . 25428 1 120 . 1 1 11 11 ALA HB1 H 1 1.402 0.008 . . . . . A 11 ALA HB1 . 25428 1 121 . 1 1 11 11 ALA HB2 H 1 1.402 0.008 . . . . . A 11 ALA HB2 . 25428 1 122 . 1 1 11 11 ALA HB3 H 1 1.402 0.008 . . . . . A 11 ALA HB3 . 25428 1 123 . 1 1 11 11 ALA C C 13 174.553 0.19 . . . . . A 11 ALA C . 25428 1 124 . 1 1 11 11 ALA CA C 13 49.682 0.19 . . . . . A 11 ALA CA . 25428 1 125 . 1 1 11 11 ALA CB C 13 15.391 0.19 . . . . . A 11 ALA CB . 25428 1 126 . 1 1 11 11 ALA N N 15 121.088 0.14 . . . . . A 11 ALA N . 25428 1 127 . 1 1 12 12 GLY H H 1 7.817 0.008 . . . . . A 12 GLY H . 25428 1 128 . 1 1 12 12 GLY HA3 H 1 3.613 0.008 . . . . . A 12 GLY HA3 . 25428 1 129 . 1 1 12 12 GLY C C 13 172.183 0.19 . . . . . A 12 GLY C . 25428 1 130 . 1 1 12 12 GLY CA C 13 42.150 0.19 . . . . . A 12 GLY CA . 25428 1 131 . 1 1 12 12 GLY N N 15 104.096 0.14 . . . . . A 12 GLY N . 25428 1 132 . 1 1 13 13 LEU H H 1 7.216 0.008 . . . . . A 13 LEU H . 25428 1 133 . 1 1 13 13 LEU HA H 1 4.365 0.008 . . . . . A 13 LEU HA . 25428 1 134 . 1 1 13 13 LEU HB2 H 1 1.360 0.008 . . . . . A 13 LEU HB2 . 25428 1 135 . 1 1 13 13 LEU HB3 H 1 0.987 0.008 . . . . . A 13 LEU HB3 . 25428 1 136 . 1 1 13 13 LEU HG H 1 1.457 0.008 . . . . . A 13 LEU HG . 25428 1 137 . 1 1 13 13 LEU HD11 H 1 0.702 0.008 . . . . . A 13 LEU HD11 . 25428 1 138 . 1 1 13 13 LEU HD12 H 1 0.702 0.008 . . . . . A 13 LEU HD12 . 25428 1 139 . 1 1 13 13 LEU HD13 H 1 0.702 0.008 . . . . . A 13 LEU HD13 . 25428 1 140 . 1 1 13 13 LEU HD21 H 1 0.725 0.008 . . . . . A 13 LEU HD21 . 25428 1 141 . 1 1 13 13 LEU HD22 H 1 0.725 0.008 . . . . . A 13 LEU HD22 . 25428 1 142 . 1 1 13 13 LEU HD23 H 1 0.725 0.008 . . . . . A 13 LEU HD23 . 25428 1 143 . 1 1 13 13 LEU CA C 13 50.153 0.19 . . . . . A 13 LEU CA . 25428 1 144 . 1 1 13 13 LEU CB C 13 38.486 0.19 . . . . . A 13 LEU CB . 25428 1 145 . 1 1 13 13 LEU CG C 13 24.422 0.19 . . . . . A 13 LEU CG . 25428 1 146 . 1 1 13 13 LEU CD1 C 13 20.920 0.19 . . . . . A 13 LEU CD1 . 25428 1 147 . 1 1 13 13 LEU CD2 C 13 23.677 0.19 . . . . . A 13 LEU CD2 . 25428 1 148 . 1 1 13 13 LEU N N 15 120.523 0.14 . . . . . A 13 LEU N . 25428 1 149 . 1 1 14 14 PRO HA H 1 4.351 0.008 . . . . . A 14 PRO HA . 25428 1 150 . 1 1 14 14 PRO HB2 H 1 1.731 0.008 . . . . . A 14 PRO HB2 . 25428 1 151 . 1 1 14 14 PRO HB3 H 1 2.499 0.008 . . . . . A 14 PRO HB3 . 25428 1 152 . 1 1 14 14 PRO HG2 H 1 1.976 0.008 . . . . . A 14 PRO HG2 . 25428 1 153 . 1 1 14 14 PRO HG3 H 1 2.104 0.008 . . . . . A 14 PRO HG3 . 25428 1 154 . 1 1 14 14 PRO HD2 H 1 3.262 0.008 . . . . . A 14 PRO HD2 . 25428 1 155 . 1 1 14 14 PRO HD3 H 1 3.988 0.008 . . . . . A 14 PRO HD3 . 25428 1 156 . 1 1 14 14 PRO C C 13 174.611 0.19 . . . . . A 14 PRO C . 25428 1 157 . 1 1 14 14 PRO CA C 13 59.728 0.19 . . . . . A 14 PRO CA . 25428 1 158 . 1 1 14 14 PRO CB C 13 29.803 0.19 . . . . . A 14 PRO CB . 25428 1 159 . 1 1 14 14 PRO CG C 13 25.360 0.19 . . . . . A 14 PRO CG . 25428 1 160 . 1 1 14 14 PRO CD C 13 47.745 0.19 . . . . . A 14 PRO CD . 25428 1 161 . 1 1 15 15 GLN H H 1 8.812 0.008 . . . . . A 15 GLN H . 25428 1 162 . 1 1 15 15 GLN HA H 1 3.689 0.008 . . . . . A 15 GLN HA . 25428 1 163 . 1 1 15 15 GLN HB2 H 1 1.923 0.008 . . . . . A 15 GLN HB2 . 25428 1 164 . 1 1 15 15 GLN HB3 H 1 2.227 0.008 . . . . . A 15 GLN HB3 . 25428 1 165 . 1 1 15 15 GLN HG2 H 1 2.355 0.008 . . . . . A 15 GLN HG2 . 25428 1 166 . 1 1 15 15 GLN HG3 H 1 2.304 0.008 . . . . . A 15 GLN HG3 . 25428 1 167 . 1 1 15 15 GLN HE21 H 1 7.855 0.008 . . . . . A 15 GLN HE21 . 25428 1 168 . 1 1 15 15 GLN HE22 H 1 6.677 0.008 . . . . . A 15 GLN HE22 . 25428 1 169 . 1 1 15 15 GLN C C 13 174.848 0.19 . . . . . A 15 GLN C . 25428 1 170 . 1 1 15 15 GLN CA C 13 57.850 0.19 . . . . . A 15 GLN CA . 25428 1 171 . 1 1 15 15 GLN CB C 13 25.333 0.19 . . . . . A 15 GLN CB . 25428 1 172 . 1 1 15 15 GLN CG C 13 29.851 0.19 . . . . . A 15 GLN CG . 25428 1 173 . 1 1 15 15 GLN N N 15 124.429 0.14 . . . . . A 15 GLN N . 25428 1 174 . 1 1 15 15 GLN NE2 N 15 111.734 0.14 . . . . . A 15 GLN NE2 . 25428 1 175 . 1 1 16 16 LYS H H 1 9.282 0.008 . . . . . A 16 LYS H . 25428 1 176 . 1 1 16 16 LYS HA H 1 4.022 0.008 . . . . . A 16 LYS HA . 25428 1 177 . 1 1 16 16 LYS HB2 H 1 1.665 0.008 . . . . . A 16 LYS HB2 . 25428 1 178 . 1 1 16 16 LYS HB3 H 1 1.722 0.008 . . . . . A 16 LYS HB3 . 25428 1 179 . 1 1 16 16 LYS HG2 H 1 1.421 0.008 . . . . . A 16 LYS HG2 . 25428 1 180 . 1 1 16 16 LYS HG3 H 1 1.539 0.008 . . . . . A 16 LYS HG3 . 25428 1 181 . 1 1 16 16 LYS HE2 H 1 2.859 0.008 . . . . . A 16 LYS HE2 . 25428 1 182 . 1 1 16 16 LYS HE3 H 1 2.859 0.008 . . . . . A 16 LYS HE3 . 25428 1 183 . 1 1 16 16 LYS C C 13 176.800 0.19 . . . . . A 16 LYS C . 25428 1 184 . 1 1 16 16 LYS CA C 13 56.624 0.19 . . . . . A 16 LYS CA . 25428 1 185 . 1 1 16 16 LYS CB C 13 29.837 0.19 . . . . . A 16 LYS CB . 25428 1 186 . 1 1 16 16 LYS CG C 13 22.828 0.19 . . . . . A 16 LYS CG . 25428 1 187 . 1 1 16 16 LYS CE C 13 39.062 0.19 . . . . . A 16 LYS CE . 25428 1 188 . 1 1 16 16 LYS N N 15 115.638 0.14 . . . . . A 16 LYS N . 25428 1 189 . 1 1 17 17 VAL H H 1 6.998 0.008 . . . . . A 17 VAL H . 25428 1 190 . 1 1 17 17 VAL HA H 1 3.390 0.008 . . . . . A 17 VAL HA . 25428 1 191 . 1 1 17 17 VAL HB H 1 1.995 0.008 . . . . . A 17 VAL HB . 25428 1 192 . 1 1 17 17 VAL HG11 H 1 0.785 0.008 . . . . . A 17 VAL HG11 . 25428 1 193 . 1 1 17 17 VAL HG12 H 1 0.785 0.008 . . . . . A 17 VAL HG12 . 25428 1 194 . 1 1 17 17 VAL HG13 H 1 0.785 0.008 . . . . . A 17 VAL HG13 . 25428 1 195 . 1 1 17 17 VAL HG21 H 1 0.920 0.008 . . . . . A 17 VAL HG21 . 25428 1 196 . 1 1 17 17 VAL HG22 H 1 0.920 0.008 . . . . . A 17 VAL HG22 . 25428 1 197 . 1 1 17 17 VAL HG23 H 1 0.920 0.008 . . . . . A 17 VAL HG23 . 25428 1 198 . 1 1 17 17 VAL C C 13 173.946 0.19 . . . . . A 17 VAL C . 25428 1 199 . 1 1 17 17 VAL CA C 13 62.811 0.19 . . . . . A 17 VAL CA . 25428 1 200 . 1 1 17 17 VAL CB C 13 29.088 0.19 . . . . . A 17 VAL CB . 25428 1 201 . 1 1 17 17 VAL CG1 C 13 19.189 0.19 . . . . . A 17 VAL CG1 . 25428 1 202 . 1 1 17 17 VAL CG2 C 13 20.459 0.19 . . . . . A 17 VAL CG2 . 25428 1 203 . 1 1 17 17 VAL N N 15 118.513 0.14 . . . . . A 17 VAL N . 25428 1 204 . 1 1 18 18 ALA H H 1 8.342 0.008 . . . . . A 18 ALA H . 25428 1 205 . 1 1 18 18 ALA HA H 1 3.733 0.008 . . . . . A 18 ALA HA . 25428 1 206 . 1 1 18 18 ALA HB1 H 1 1.104 0.008 . . . . . A 18 ALA HB1 . 25428 1 207 . 1 1 18 18 ALA HB2 H 1 1.104 0.008 . . . . . A 18 ALA HB2 . 25428 1 208 . 1 1 18 18 ALA HB3 H 1 1.104 0.008 . . . . . A 18 ALA HB3 . 25428 1 209 . 1 1 18 18 ALA C C 13 176.571 0.19 . . . . . A 18 ALA C . 25428 1 210 . 1 1 18 18 ALA CA C 13 52.519 0.19 . . . . . A 18 ALA CA . 25428 1 211 . 1 1 18 18 ALA CB C 13 15.616 0.19 . . . . . A 18 ALA CB . 25428 1 212 . 1 1 18 18 ALA N N 15 121.811 0.14 . . . . . A 18 ALA N . 25428 1 213 . 1 1 19 19 GLU H H 1 8.578 0.008 . . . . . A 19 GLU H . 25428 1 214 . 1 1 19 19 GLU HA H 1 3.913 0.008 . . . . . A 19 GLU HA . 25428 1 215 . 1 1 19 19 GLU HB2 H 1 1.949 0.008 . . . . . A 19 GLU HB2 . 25428 1 216 . 1 1 19 19 GLU HB3 H 1 2.092 0.008 . . . . . A 19 GLU HB3 . 25428 1 217 . 1 1 19 19 GLU HG2 H 1 2.564 0.008 . . . . . A 19 GLU HG2 . 25428 1 218 . 1 1 19 19 GLU HG3 H 1 2.103 0.008 . . . . . A 19 GLU HG3 . 25428 1 219 . 1 1 19 19 GLU C C 13 176.184 0.19 . . . . . A 19 GLU C . 25428 1 220 . 1 1 19 19 GLU CA C 13 56.832 0.19 . . . . . A 19 GLU CA . 25428 1 221 . 1 1 19 19 GLU CB C 13 27.114 0.19 . . . . . A 19 GLU CB . 25428 1 222 . 1 1 19 19 GLU CG C 13 34.352 0.19 . . . . . A 19 GLU CG . 25428 1 223 . 1 1 19 19 GLU N N 15 116.183 0.14 . . . . . A 19 GLU N . 25428 1 224 . 1 1 20 20 LYS H H 1 7.347 0.008 . . . . . A 20 LYS H . 25428 1 225 . 1 1 20 20 LYS HA H 1 4.063 0.008 . . . . . A 20 LYS HA . 25428 1 226 . 1 1 20 20 LYS HB2 H 1 2.162 0.008 . . . . . A 20 LYS HB2 . 25428 1 227 . 1 1 20 20 LYS HB3 H 1 2.231 0.008 . . . . . A 20 LYS HB3 . 25428 1 228 . 1 1 20 20 LYS HG3 H 1 1.336 0.008 . . . . . A 20 LYS HG3 . 25428 1 229 . 1 1 20 20 LYS HD2 H 1 1.813 0.008 . . . . . A 20 LYS HD2 . 25428 1 230 . 1 1 20 20 LYS HD3 H 1 1.813 0.008 . . . . . A 20 LYS HD3 . 25428 1 231 . 1 1 20 20 LYS HE2 H 1 2.683 0.008 . . . . . A 20 LYS HE2 . 25428 1 232 . 1 1 20 20 LYS HE3 H 1 2.843 0.008 . . . . . A 20 LYS HE3 . 25428 1 233 . 1 1 20 20 LYS C C 13 175.707 0.19 . . . . . A 20 LYS C . 25428 1 234 . 1 1 20 20 LYS CA C 13 54.340 0.19 . . . . . A 20 LYS CA . 25428 1 235 . 1 1 20 20 LYS CB C 13 27.152 0.19 . . . . . A 20 LYS CB . 25428 1 236 . 1 1 20 20 LYS CG C 13 21.921 0.19 . . . . . A 20 LYS CG . 25428 1 237 . 1 1 20 20 LYS CD C 13 27.694 0.19 . . . . . A 20 LYS CD . 25428 1 238 . 1 1 20 20 LYS CE C 13 38.910 0.19 . . . . . A 20 LYS CE . 25428 1 239 . 1 1 20 20 LYS N N 15 120.202 0.14 . . . . . A 20 LYS N . 25428 1 240 . 1 1 21 21 LEU H H 1 8.197 0.008 . . . . . A 21 LEU H . 25428 1 241 . 1 1 21 21 LEU HA H 1 3.904 0.008 . . . . . A 21 LEU HA . 25428 1 242 . 1 1 21 21 LEU HB2 H 1 1.464 0.008 . . . . . A 21 LEU HB2 . 25428 1 243 . 1 1 21 21 LEU HB3 H 1 1.278 0.008 . . . . . A 21 LEU HB3 . 25428 1 244 . 1 1 21 21 LEU HG H 1 1.242 0.008 . . . . . A 21 LEU HG . 25428 1 245 . 1 1 21 21 LEU HD11 H 1 0.563 0.008 . . . . . A 21 LEU HD11 . 25428 1 246 . 1 1 21 21 LEU HD12 H 1 0.563 0.008 . . . . . A 21 LEU HD12 . 25428 1 247 . 1 1 21 21 LEU HD13 H 1 0.563 0.008 . . . . . A 21 LEU HD13 . 25428 1 248 . 1 1 21 21 LEU HD21 H 1 0.573 0.008 . . . . . A 21 LEU HD21 . 25428 1 249 . 1 1 21 21 LEU HD22 H 1 0.573 0.008 . . . . . A 21 LEU HD22 . 25428 1 250 . 1 1 21 21 LEU HD23 H 1 0.573 0.008 . . . . . A 21 LEU HD23 . 25428 1 251 . 1 1 21 21 LEU C C 13 175.138 0.19 . . . . . A 21 LEU C . 25428 1 252 . 1 1 21 21 LEU CA C 13 54.762 0.19 . . . . . A 21 LEU CA . 25428 1 253 . 1 1 21 21 LEU CB C 13 38.389 0.19 . . . . . A 21 LEU CB . 25428 1 254 . 1 1 21 21 LEU CG C 13 23.924 0.19 . . . . . A 21 LEU CG . 25428 1 255 . 1 1 21 21 LEU CD1 C 13 20.254 0.19 . . . . . A 21 LEU CD1 . 25428 1 256 . 1 1 21 21 LEU CD2 C 13 22.420 0.19 . . . . . A 21 LEU CD2 . 25428 1 257 . 1 1 21 21 LEU N N 15 120.188 0.14 . . . . . A 21 LEU N . 25428 1 258 . 1 1 22 22 ASP H H 1 8.365 0.008 . . . . . A 22 ASP H . 25428 1 259 . 1 1 22 22 ASP HA H 1 4.425 0.008 . . . . . A 22 ASP HA . 25428 1 260 . 1 1 22 22 ASP HB2 H 1 2.641 0.008 . . . . . A 22 ASP HB2 . 25428 1 261 . 1 1 22 22 ASP HB3 H 1 2.696 0.008 . . . . . A 22 ASP HB3 . 25428 1 262 . 1 1 22 22 ASP C C 13 175.147 0.19 . . . . . A 22 ASP C . 25428 1 263 . 1 1 22 22 ASP CA C 13 55.276 0.19 . . . . . A 22 ASP CA . 25428 1 264 . 1 1 22 22 ASP CB C 13 39.303 0.19 . . . . . A 22 ASP CB . 25428 1 265 . 1 1 22 22 ASP N N 15 118.729 0.14 . . . . . A 22 ASP N . 25428 1 266 . 1 1 23 23 GLU H H 1 7.750 0.008 . . . . . A 23 GLU H . 25428 1 267 . 1 1 23 23 GLU HA H 1 3.889 0.008 . . . . . A 23 GLU HA . 25428 1 268 . 1 1 23 23 GLU HB2 H 1 2.229 0.008 . . . . . A 23 GLU HB2 . 25428 1 269 . 1 1 23 23 GLU HB3 H 1 2.162 0.008 . . . . . A 23 GLU HB3 . 25428 1 270 . 1 1 23 23 GLU HG2 H 1 2.465 0.008 . . . . . A 23 GLU HG2 . 25428 1 271 . 1 1 23 23 GLU HG3 H 1 2.081 0.008 . . . . . A 23 GLU HG3 . 25428 1 272 . 1 1 23 23 GLU C C 13 177.140 0.19 . . . . . A 23 GLU C . 25428 1 273 . 1 1 23 23 GLU CA C 13 56.749 0.19 . . . . . A 23 GLU CA . 25428 1 274 . 1 1 23 23 GLU CB C 13 27.041 0.19 . . . . . A 23 GLU CB . 25428 1 275 . 1 1 23 23 GLU CG C 13 33.775 0.19 . . . . . A 23 GLU CG . 25428 1 276 . 1 1 23 23 GLU N N 15 117.201 0.14 . . . . . A 23 GLU N . 25428 1 277 . 1 1 24 24 ILE H H 1 7.510 0.008 . . . . . A 24 ILE H . 25428 1 278 . 1 1 24 24 ILE HA H 1 3.607 0.008 . . . . . A 24 ILE HA . 25428 1 279 . 1 1 24 24 ILE HB H 1 2.204 0.008 . . . . . A 24 ILE HB . 25428 1 280 . 1 1 24 24 ILE HG12 H 1 2.004 0.008 . . . . . A 24 ILE HG12 . 25428 1 281 . 1 1 24 24 ILE HG13 H 1 0.822 0.008 . . . . . A 24 ILE HG13 . 25428 1 282 . 1 1 24 24 ILE HG21 H 1 0.889 0.008 . . . . . A 24 ILE HG21 . 25428 1 283 . 1 1 24 24 ILE HG22 H 1 0.889 0.008 . . . . . A 24 ILE HG22 . 25428 1 284 . 1 1 24 24 ILE HG23 H 1 0.889 0.008 . . . . . A 24 ILE HG23 . 25428 1 285 . 1 1 24 24 ILE HD11 H 1 0.884 0.008 . . . . . A 24 ILE HD11 . 25428 1 286 . 1 1 24 24 ILE HD12 H 1 0.884 0.008 . . . . . A 24 ILE HD12 . 25428 1 287 . 1 1 24 24 ILE HD13 H 1 0.884 0.008 . . . . . A 24 ILE HD13 . 25428 1 288 . 1 1 24 24 ILE C C 13 174.918 0.19 . . . . . A 24 ILE C . 25428 1 289 . 1 1 24 24 ILE CA C 13 63.184 0.19 . . . . . A 24 ILE CA . 25428 1 290 . 1 1 24 24 ILE CB C 13 34.967 0.19 . . . . . A 24 ILE CB . 25428 1 291 . 1 1 24 24 ILE CG1 C 13 27.243 0.19 . . . . . A 24 ILE CG1 . 25428 1 292 . 1 1 24 24 ILE CG2 C 13 15.917 0.19 . . . . . A 24 ILE CG2 . 25428 1 293 . 1 1 24 24 ILE CD1 C 13 12.272 0.19 . . . . . A 24 ILE CD1 . 25428 1 294 . 1 1 24 24 ILE N N 15 121.465 0.14 . . . . . A 24 ILE N . 25428 1 295 . 1 1 25 25 TYR H H 1 7.973 0.008 . . . . . A 25 TYR H . 25428 1 296 . 1 1 25 25 TYR HA H 1 4.812 0.008 . . . . . A 25 TYR HA . 25428 1 297 . 1 1 25 25 TYR HB2 H 1 3.345 0.008 . . . . . A 25 TYR HB2 . 25428 1 298 . 1 1 25 25 TYR HB3 H 1 3.115 0.008 . . . . . A 25 TYR HB3 . 25428 1 299 . 1 1 25 25 TYR HD1 H 1 7.020 0.008 . . . . . A 25 TYR HD1 . 25428 1 300 . 1 1 25 25 TYR HD2 H 1 7.020 0.008 . . . . . A 25 TYR HD2 . 25428 1 301 . 1 1 25 25 TYR HE1 H 1 6.494 0.008 . . . . . A 25 TYR HE1 . 25428 1 302 . 1 1 25 25 TYR HE2 H 1 6.494 0.008 . . . . . A 25 TYR HE2 . 25428 1 303 . 1 1 25 25 TYR C C 13 179.018 0.19 . . . . . A 25 TYR C . 25428 1 304 . 1 1 25 25 TYR CA C 13 56.172 0.19 . . . . . A 25 TYR CA . 25428 1 305 . 1 1 25 25 TYR CB C 13 34.419 0.19 . . . . . A 25 TYR CB . 25428 1 306 . 1 1 25 25 TYR CD2 C 13 129.277 0.19 . . . . . A 25 TYR CD2 . 25428 1 307 . 1 1 25 25 TYR CE2 C 13 115.889 0.19 . . . . . A 25 TYR CE2 . 25428 1 308 . 1 1 25 25 TYR N N 15 120.955 0.14 . . . . . A 25 TYR N . 25428 1 309 . 1 1 26 26 VAL H H 1 9.102 0.008 . . . . . A 26 VAL H . 25428 1 310 . 1 1 26 26 VAL HA H 1 3.591 0.008 . . . . . A 26 VAL HA . 25428 1 311 . 1 1 26 26 VAL HB H 1 2.050 0.008 . . . . . A 26 VAL HB . 25428 1 312 . 1 1 26 26 VAL HG11 H 1 0.890 0.008 . . . . . A 26 VAL HG11 . 25428 1 313 . 1 1 26 26 VAL HG12 H 1 0.890 0.008 . . . . . A 26 VAL HG12 . 25428 1 314 . 1 1 26 26 VAL HG13 H 1 0.890 0.008 . . . . . A 26 VAL HG13 . 25428 1 315 . 1 1 26 26 VAL HG21 H 1 1.050 0.008 . . . . . A 26 VAL HG21 . 25428 1 316 . 1 1 26 26 VAL HG22 H 1 1.050 0.008 . . . . . A 26 VAL HG22 . 25428 1 317 . 1 1 26 26 VAL HG23 H 1 1.050 0.008 . . . . . A 26 VAL HG23 . 25428 1 318 . 1 1 26 26 VAL C C 13 175.383 0.19 . . . . . A 26 VAL C . 25428 1 319 . 1 1 26 26 VAL CA C 13 63.501 0.19 . . . . . A 26 VAL CA . 25428 1 320 . 1 1 26 26 VAL CB C 13 28.993 0.19 . . . . . A 26 VAL CB . 25428 1 321 . 1 1 26 26 VAL CG1 C 13 18.463 0.19 . . . . . A 26 VAL CG1 . 25428 1 322 . 1 1 26 26 VAL CG2 C 13 20.843 0.19 . . . . . A 26 VAL CG2 . 25428 1 323 . 1 1 26 26 VAL N N 15 123.429 0.14 . . . . . A 26 VAL N . 25428 1 324 . 1 1 27 27 ALA H H 1 7.691 0.008 . . . . . A 27 ALA H . 25428 1 325 . 1 1 27 27 ALA HA H 1 4.205 0.008 . . . . . A 27 ALA HA . 25428 1 326 . 1 1 27 27 ALA HB1 H 1 1.486 0.008 . . . . . A 27 ALA HB1 . 25428 1 327 . 1 1 27 27 ALA HB2 H 1 1.486 0.008 . . . . . A 27 ALA HB2 . 25428 1 328 . 1 1 27 27 ALA HB3 H 1 1.486 0.008 . . . . . A 27 ALA HB3 . 25428 1 329 . 1 1 27 27 ALA C C 13 175.640 0.19 . . . . . A 27 ALA C . 25428 1 330 . 1 1 27 27 ALA CA C 13 50.270 0.19 . . . . . A 27 ALA CA . 25428 1 331 . 1 1 27 27 ALA CB C 13 15.992 0.19 . . . . . A 27 ALA CB . 25428 1 332 . 1 1 27 27 ALA N N 15 120.082 0.14 . . . . . A 27 ALA N . 25428 1 333 . 1 1 28 28 GLY H H 1 7.914 0.008 . . . . . A 28 GLY H . 25428 1 334 . 1 1 28 28 GLY HA3 H 1 3.764 0.008 . . . . . A 28 GLY HA3 . 25428 1 335 . 1 1 28 28 GLY C C 13 172.315 0.19 . . . . . A 28 GLY C . 25428 1 336 . 1 1 28 28 GLY CA C 13 42.539 0.19 . . . . . A 28 GLY CA . 25428 1 337 . 1 1 28 28 GLY N N 15 105.543 0.14 . . . . . A 28 GLY N . 25428 1 338 . 1 1 29 29 LEU H H 1 7.501 0.008 . . . . . A 29 LEU H . 25428 1 339 . 1 1 29 29 LEU HA H 1 4.005 0.008 . . . . . A 29 LEU HA . 25428 1 340 . 1 1 29 29 LEU HB2 H 1 1.664 0.008 . . . . . A 29 LEU HB2 . 25428 1 341 . 1 1 29 29 LEU HB3 H 1 1.384 0.008 . . . . . A 29 LEU HB3 . 25428 1 342 . 1 1 29 29 LEU HG H 1 1.522 0.008 . . . . . A 29 LEU HG . 25428 1 343 . 1 1 29 29 LEU HD11 H 1 0.767 0.008 . . . . . A 29 LEU HD11 . 25428 1 344 . 1 1 29 29 LEU HD12 H 1 0.767 0.008 . . . . . A 29 LEU HD12 . 25428 1 345 . 1 1 29 29 LEU HD13 H 1 0.767 0.008 . . . . . A 29 LEU HD13 . 25428 1 346 . 1 1 29 29 LEU HD21 H 1 0.898 0.008 . . . . . A 29 LEU HD21 . 25428 1 347 . 1 1 29 29 LEU HD22 H 1 0.898 0.008 . . . . . A 29 LEU HD22 . 25428 1 348 . 1 1 29 29 LEU HD23 H 1 0.898 0.008 . . . . . A 29 LEU HD23 . 25428 1 349 . 1 1 29 29 LEU C C 13 173.807 0.19 . . . . . A 29 LEU C . 25428 1 350 . 1 1 29 29 LEU CA C 13 54.080 0.19 . . . . . A 29 LEU CA . 25428 1 351 . 1 1 29 29 LEU CB C 13 39.786 0.19 . . . . . A 29 LEU CB . 25428 1 352 . 1 1 29 29 LEU CG C 13 24.652 0.19 . . . . . A 29 LEU CG . 25428 1 353 . 1 1 29 29 LEU CD1 C 13 20.091 0.19 . . . . . A 29 LEU CD1 . 25428 1 354 . 1 1 29 29 LEU CD2 C 13 22.823 0.19 . . . . . A 29 LEU CD2 . 25428 1 355 . 1 1 29 29 LEU N N 15 119.155 0.14 . . . . . A 29 LEU N . 25428 1 356 . 1 1 30 30 VAL H H 1 7.054 0.008 . . . . . A 30 VAL H . 25428 1 357 . 1 1 30 30 VAL HA H 1 4.216 0.008 . . . . . A 30 VAL HA . 25428 1 358 . 1 1 30 30 VAL HB H 1 2.037 0.008 . . . . . A 30 VAL HB . 25428 1 359 . 1 1 30 30 VAL HG11 H 1 0.856 0.008 . . . . . A 30 VAL HG11 . 25428 1 360 . 1 1 30 30 VAL HG12 H 1 0.856 0.008 . . . . . A 30 VAL HG12 . 25428 1 361 . 1 1 30 30 VAL HG13 H 1 0.856 0.008 . . . . . A 30 VAL HG13 . 25428 1 362 . 1 1 30 30 VAL HG21 H 1 0.672 0.008 . . . . . A 30 VAL HG21 . 25428 1 363 . 1 1 30 30 VAL HG22 H 1 0.672 0.008 . . . . . A 30 VAL HG22 . 25428 1 364 . 1 1 30 30 VAL HG23 H 1 0.672 0.008 . . . . . A 30 VAL HG23 . 25428 1 365 . 1 1 30 30 VAL C C 13 170.244 0.19 . . . . . A 30 VAL C . 25428 1 366 . 1 1 30 30 VAL CA C 13 56.444 0.19 . . . . . A 30 VAL CA . 25428 1 367 . 1 1 30 30 VAL CB C 13 32.365 0.19 . . . . . A 30 VAL CB . 25428 1 368 . 1 1 30 30 VAL CG1 C 13 19.281 0.19 . . . . . A 30 VAL CG1 . 25428 1 369 . 1 1 30 30 VAL CG2 C 13 17.915 0.19 . . . . . A 30 VAL CG2 . 25428 1 370 . 1 1 30 30 VAL N N 15 109.334 0.14 . . . . . A 30 VAL N . 25428 1 371 . 1 1 31 31 ALA H H 1 8.938 0.008 . . . . . A 31 ALA H . 25428 1 372 . 1 1 31 31 ALA HA H 1 4.559 0.008 . . . . . A 31 ALA HA . 25428 1 373 . 1 1 31 31 ALA HB1 H 1 1.289 0.008 . . . . . A 31 ALA HB1 . 25428 1 374 . 1 1 31 31 ALA HB2 H 1 1.289 0.008 . . . . . A 31 ALA HB2 . 25428 1 375 . 1 1 31 31 ALA HB3 H 1 1.289 0.008 . . . . . A 31 ALA HB3 . 25428 1 376 . 1 1 31 31 ALA C C 13 176.016 0.19 . . . . . A 31 ALA C . 25428 1 377 . 1 1 31 31 ALA CA C 13 47.470 0.19 . . . . . A 31 ALA CA . 25428 1 378 . 1 1 31 31 ALA CB C 13 18.040 0.19 . . . . . A 31 ALA CB . 25428 1 379 . 1 1 31 31 ALA N N 15 126.238 0.14 . . . . . A 31 ALA N . 25428 1 380 . 1 1 32 32 HIS H H 1 8.657 0.008 . . . . . A 32 HIS H . 25428 1 381 . 1 1 32 32 HIS HA H 1 3.990 0.008 . . . . . A 32 HIS HA . 25428 1 382 . 1 1 32 32 HIS HB2 H 1 2.827 0.008 . . . . . A 32 HIS HB2 . 25428 1 383 . 1 1 32 32 HIS HB3 H 1 2.798 0.008 . . . . . A 32 HIS HB3 . 25428 1 384 . 1 1 32 32 HIS HD2 H 1 6.897 0.008 . . . . . A 32 HIS HD2 . 25428 1 385 . 1 1 32 32 HIS HE1 H 1 7.879 0.008 . . . . . A 32 HIS HE1 . 25428 1 386 . 1 1 32 32 HIS C C 13 174.379 0.19 . . . . . A 32 HIS C . 25428 1 387 . 1 1 32 32 HIS CA C 13 56.668 0.19 . . . . . A 32 HIS CA . 25428 1 388 . 1 1 32 32 HIS CB C 13 26.452 0.19 . . . . . A 32 HIS CB . 25428 1 389 . 1 1 32 32 HIS CD2 C 13 116.254 0.19 . . . . . A 32 HIS CD2 . 25428 1 390 . 1 1 32 32 HIS CE1 C 13 134.400 0.19 . . . . . A 32 HIS CE1 . 25428 1 391 . 1 1 32 32 HIS N N 15 120.680 0.14 . . . . . A 32 HIS N . 25428 1 392 . 1 1 33 33 SER H H 1 7.792 0.008 . . . . . A 33 SER H . 25428 1 393 . 1 1 33 33 SER HA H 1 4.125 0.008 . . . . . A 33 SER HA . 25428 1 394 . 1 1 33 33 SER HB2 H 1 3.680 0.008 . . . . . A 33 SER HB2 . 25428 1 395 . 1 1 33 33 SER HB3 H 1 3.925 0.008 . . . . . A 33 SER HB3 . 25428 1 396 . 1 1 33 33 SER C C 13 172.444 0.19 . . . . . A 33 SER C . 25428 1 397 . 1 1 33 33 SER CA C 13 56.158 0.19 . . . . . A 33 SER CA . 25428 1 398 . 1 1 33 33 SER CB C 13 60.045 0.19 . . . . . A 33 SER CB . 25428 1 399 . 1 1 33 33 SER N N 15 109.997 0.14 . . . . . A 33 SER N . 25428 1 400 . 1 1 34 34 ASP H H 1 7.668 0.008 . . . . . A 34 ASP H . 25428 1 401 . 1 1 34 34 ASP HA H 1 4.520 0.008 . . . . . A 34 ASP HA . 25428 1 402 . 1 1 34 34 ASP HB2 H 1 2.559 0.008 . . . . . A 34 ASP HB2 . 25428 1 403 . 1 1 34 34 ASP HB3 H 1 2.919 0.008 . . . . . A 34 ASP HB3 . 25428 1 404 . 1 1 34 34 ASP CA C 13 53.516 0.19 . . . . . A 34 ASP CA . 25428 1 405 . 1 1 34 34 ASP CB C 13 39.490 0.19 . . . . . A 34 ASP CB . 25428 1 406 . 1 1 34 34 ASP N N 15 119.785 0.14 . . . . . A 34 ASP N . 25428 1 407 . 1 1 35 35 LEU H H 1 7.376 0.008 . . . . . A 35 LEU H . 25428 1 408 . 1 1 35 35 LEU HA H 1 4.453 0.008 . . . . . A 35 LEU HA . 25428 1 409 . 1 1 35 35 LEU HB2 H 1 0.984 0.008 . . . . . A 35 LEU HB2 . 25428 1 410 . 1 1 35 35 LEU HB3 H 1 1.797 0.008 . . . . . A 35 LEU HB3 . 25428 1 411 . 1 1 35 35 LEU HG H 1 1.522 0.008 . . . . . A 35 LEU HG . 25428 1 412 . 1 1 35 35 LEU HD11 H 1 0.705 0.008 . . . . . A 35 LEU HD11 . 25428 1 413 . 1 1 35 35 LEU HD12 H 1 0.705 0.008 . . . . . A 35 LEU HD12 . 25428 1 414 . 1 1 35 35 LEU HD13 H 1 0.705 0.008 . . . . . A 35 LEU HD13 . 25428 1 415 . 1 1 35 35 LEU HD21 H 1 0.575 0.008 . . . . . A 35 LEU HD21 . 25428 1 416 . 1 1 35 35 LEU HD22 H 1 0.575 0.008 . . . . . A 35 LEU HD22 . 25428 1 417 . 1 1 35 35 LEU HD23 H 1 0.575 0.008 . . . . . A 35 LEU HD23 . 25428 1 418 . 1 1 35 35 LEU CA C 13 50.364 0.19 . . . . . A 35 LEU CA . 25428 1 419 . 1 1 35 35 LEU CB C 13 38.642 0.19 . . . . . A 35 LEU CB . 25428 1 420 . 1 1 35 35 LEU CG C 13 24.006 0.19 . . . . . A 35 LEU CG . 25428 1 421 . 1 1 35 35 LEU CD1 C 13 22.787 0.19 . . . . . A 35 LEU CD1 . 25428 1 422 . 1 1 35 35 LEU CD2 C 13 20.395 0.19 . . . . . A 35 LEU CD2 . 25428 1 423 . 1 1 35 35 LEU N N 15 118.248 0.14 . . . . . A 35 LEU N . 25428 1 424 . 1 1 36 36 ASP H H 1 8.002 0.008 . . . . . A 36 ASP H . 25428 1 425 . 1 1 36 36 ASP HA H 1 4.425 0.008 . . . . . A 36 ASP HA . 25428 1 426 . 1 1 36 36 ASP HB2 H 1 2.938 0.008 . . . . . A 36 ASP HB2 . 25428 1 427 . 1 1 36 36 ASP HB3 H 1 2.622 0.008 . . . . . A 36 ASP HB3 . 25428 1 428 . 1 1 36 36 ASP C C 13 173.050 0.19 . . . . . A 36 ASP C . 25428 1 429 . 1 1 36 36 ASP CA C 13 49.746 0.19 . . . . . A 36 ASP CA . 25428 1 430 . 1 1 36 36 ASP CB C 13 39.169 0.19 . . . . . A 36 ASP CB . 25428 1 431 . 1 1 36 36 ASP N N 15 122.922 0.14 . . . . . A 36 ASP N . 25428 1 432 . 1 1 37 37 GLU H H 1 8.568 0.008 . . . . . A 37 GLU H . 25428 1 433 . 1 1 37 37 GLU HA H 1 3.826 0.008 . . . . . A 37 GLU HA . 25428 1 434 . 1 1 37 37 GLU HB2 H 1 1.950 0.008 . . . . . A 37 GLU HB2 . 25428 1 435 . 1 1 37 37 GLU HB3 H 1 1.950 0.008 . . . . . A 37 GLU HB3 . 25428 1 436 . 1 1 37 37 GLU HG2 H 1 2.278 0.008 . . . . . A 37 GLU HG2 . 25428 1 437 . 1 1 37 37 GLU HG3 H 1 2.242 0.008 . . . . . A 37 GLU HG3 . 25428 1 438 . 1 1 37 37 GLU C C 13 175.878 0.19 . . . . . A 37 GLU C . 25428 1 439 . 1 1 37 37 GLU CA C 13 56.924 0.19 . . . . . A 37 GLU CA . 25428 1 440 . 1 1 37 37 GLU CB C 13 26.411 0.19 . . . . . A 37 GLU CB . 25428 1 441 . 1 1 37 37 GLU CG C 13 33.331 0.19 . . . . . A 37 GLU CG . 25428 1 442 . 1 1 37 37 GLU N N 15 119.277 0.14 . . . . . A 37 GLU N . 25428 1 443 . 1 1 38 38 ARG H H 1 7.926 0.008 . . . . . A 38 ARG H . 25428 1 444 . 1 1 38 38 ARG HA H 1 3.932 0.008 . . . . . A 38 ARG HA . 25428 1 445 . 1 1 38 38 ARG HB2 H 1 2.331 0.008 . . . . . A 38 ARG HB2 . 25428 1 446 . 1 1 38 38 ARG HB3 H 1 2.080 0.008 . . . . . A 38 ARG HB3 . 25428 1 447 . 1 1 38 38 ARG HG2 H 1 1.810 0.008 . . . . . A 38 ARG HG2 . 25428 1 448 . 1 1 38 38 ARG HG3 H 1 1.721 0.008 . . . . . A 38 ARG HG3 . 25428 1 449 . 1 1 38 38 ARG HD2 H 1 3.106 0.008 . . . . . A 38 ARG HD2 . 25428 1 450 . 1 1 38 38 ARG HD3 H 1 3.106 0.008 . . . . . A 38 ARG HD3 . 25428 1 451 . 1 1 38 38 ARG C C 13 176.285 0.19 . . . . . A 38 ARG C . 25428 1 452 . 1 1 38 38 ARG CA C 13 55.806 0.19 . . . . . A 38 ARG CA . 25428 1 453 . 1 1 38 38 ARG CB C 13 30.966 0.19 . . . . . A 38 ARG CB . 25428 1 454 . 1 1 38 38 ARG CG C 13 26.649 0.19 . . . . . A 38 ARG CG . 25428 1 455 . 1 1 38 38 ARG CD C 13 40.356 0.19 . . . . . A 38 ARG CD . 25428 1 456 . 1 1 38 38 ARG N N 15 117.965 0.14 . . . . . A 38 ARG N . 25428 1 457 . 1 1 39 39 ALA H H 1 7.853 0.008 . . . . . A 39 ALA H . 25428 1 458 . 1 1 39 39 ALA HA H 1 3.878 0.008 . . . . . A 39 ALA HA . 25428 1 459 . 1 1 39 39 ALA HB1 H 1 1.317 0.008 . . . . . A 39 ALA HB1 . 25428 1 460 . 1 1 39 39 ALA HB2 H 1 1.317 0.008 . . . . . A 39 ALA HB2 . 25428 1 461 . 1 1 39 39 ALA HB3 H 1 1.317 0.008 . . . . . A 39 ALA HB3 . 25428 1 462 . 1 1 39 39 ALA C C 13 175.872 0.19 . . . . . A 39 ALA C . 25428 1 463 . 1 1 39 39 ALA CA C 13 52.242 0.19 . . . . . A 39 ALA CA . 25428 1 464 . 1 1 39 39 ALA CB C 13 15.191 0.19 . . . . . A 39 ALA CB . 25428 1 465 . 1 1 39 39 ALA N N 15 123.247 0.14 . . . . . A 39 ALA N . 25428 1 466 . 1 1 40 40 ILE H H 1 7.416 0.008 . . . . . A 40 ILE H . 25428 1 467 . 1 1 40 40 ILE HA H 1 3.444 0.008 . . . . . A 40 ILE HA . 25428 1 468 . 1 1 40 40 ILE HB H 1 1.862 0.008 . . . . . A 40 ILE HB . 25428 1 469 . 1 1 40 40 ILE HG12 H 1 1.330 0.008 . . . . . A 40 ILE HG12 . 25428 1 470 . 1 1 40 40 ILE HG13 H 1 1.105 0.008 . . . . . A 40 ILE HG13 . 25428 1 471 . 1 1 40 40 ILE HG21 H 1 0.711 0.008 . . . . . A 40 ILE HG21 . 25428 1 472 . 1 1 40 40 ILE HG22 H 1 0.711 0.008 . . . . . A 40 ILE HG22 . 25428 1 473 . 1 1 40 40 ILE HG23 H 1 0.711 0.008 . . . . . A 40 ILE HG23 . 25428 1 474 . 1 1 40 40 ILE HD11 H 1 0.533 0.008 . . . . . A 40 ILE HD11 . 25428 1 475 . 1 1 40 40 ILE HD12 H 1 0.533 0.008 . . . . . A 40 ILE HD12 . 25428 1 476 . 1 1 40 40 ILE HD13 H 1 0.533 0.008 . . . . . A 40 ILE HD13 . 25428 1 477 . 1 1 40 40 ILE C C 13 175.056 0.19 . . . . . A 40 ILE C . 25428 1 478 . 1 1 40 40 ILE CA C 13 60.848 0.19 . . . . . A 40 ILE CA . 25428 1 479 . 1 1 40 40 ILE CB C 13 33.621 0.19 . . . . . A 40 ILE CB . 25428 1 480 . 1 1 40 40 ILE CG1 C 13 25.472 0.19 . . . . . A 40 ILE CG1 . 25428 1 481 . 1 1 40 40 ILE CG2 C 13 14.581 0.19 . . . . . A 40 ILE CG2 . 25428 1 482 . 1 1 40 40 ILE CD1 C 13 7.737 0.19 . . . . . A 40 ILE CD1 . 25428 1 483 . 1 1 40 40 ILE N N 15 116.462 0.14 . . . . . A 40 ILE N . 25428 1 484 . 1 1 41 41 GLU H H 1 8.160 0.008 . . . . . A 41 GLU H . 25428 1 485 . 1 1 41 41 GLU HA H 1 3.785 0.008 . . . . . A 41 GLU HA . 25428 1 486 . 1 1 41 41 GLU HB2 H 1 1.961 0.008 . . . . . A 41 GLU HB2 . 25428 1 487 . 1 1 41 41 GLU HB3 H 1 1.961 0.008 . . . . . A 41 GLU HB3 . 25428 1 488 . 1 1 41 41 GLU HG2 H 1 1.863 0.008 . . . . . A 41 GLU HG2 . 25428 1 489 . 1 1 41 41 GLU HG3 H 1 1.863 0.008 . . . . . A 41 GLU HG3 . 25428 1 490 . 1 1 41 41 GLU C C 13 176.503 0.19 . . . . . A 41 GLU C . 25428 1 491 . 1 1 41 41 GLU CA C 13 56.411 0.19 . . . . . A 41 GLU CA . 25428 1 492 . 1 1 41 41 GLU CB C 13 26.360 0.19 . . . . . A 41 GLU CB . 25428 1 493 . 1 1 41 41 GLU CG C 13 33.659 0.19 . . . . . A 41 GLU CG . 25428 1 494 . 1 1 41 41 GLU N N 15 117.817 0.14 . . . . . A 41 GLU N . 25428 1 495 . 1 1 42 42 ALA H H 1 7.606 0.008 . . . . . A 42 ALA H . 25428 1 496 . 1 1 42 42 ALA HA H 1 4.068 0.008 . . . . . A 42 ALA HA . 25428 1 497 . 1 1 42 42 ALA HB1 H 1 1.449 0.008 . . . . . A 42 ALA HB1 . 25428 1 498 . 1 1 42 42 ALA HB2 H 1 1.449 0.008 . . . . . A 42 ALA HB2 . 25428 1 499 . 1 1 42 42 ALA HB3 H 1 1.449 0.008 . . . . . A 42 ALA HB3 . 25428 1 500 . 1 1 42 42 ALA CA C 13 51.977 0.19 . . . . . A 42 ALA CA . 25428 1 501 . 1 1 42 42 ALA CB C 13 15.329 0.19 . . . . . A 42 ALA CB . 25428 1 502 . 1 1 42 42 ALA N N 15 120.852 0.14 . . . . . A 42 ALA N . 25428 1 503 . 1 1 43 43 LEU H H 1 7.758 0.008 . . . . . A 43 LEU H . 25428 1 504 . 1 1 43 43 LEU HA H 1 4.139 0.008 . . . . . A 43 LEU HA . 25428 1 505 . 1 1 43 43 LEU HB2 H 1 1.660 0.008 . . . . . A 43 LEU HB2 . 25428 1 506 . 1 1 43 43 LEU HB3 H 1 1.576 0.008 . . . . . A 43 LEU HB3 . 25428 1 507 . 1 1 43 43 LEU HG H 1 1.604 0.008 . . . . . A 43 LEU HG . 25428 1 508 . 1 1 43 43 LEU HD11 H 1 0.651 0.008 . . . . . A 43 LEU HD11 . 25428 1 509 . 1 1 43 43 LEU HD12 H 1 0.651 0.008 . . . . . A 43 LEU HD12 . 25428 1 510 . 1 1 43 43 LEU HD13 H 1 0.651 0.008 . . . . . A 43 LEU HD13 . 25428 1 511 . 1 1 43 43 LEU HD21 H 1 0.592 0.008 . . . . . A 43 LEU HD21 . 25428 1 512 . 1 1 43 43 LEU HD22 H 1 0.592 0.008 . . . . . A 43 LEU HD22 . 25428 1 513 . 1 1 43 43 LEU HD23 H 1 0.592 0.008 . . . . . A 43 LEU HD23 . 25428 1 514 . 1 1 43 43 LEU C C 13 176.351 0.19 . . . . . A 43 LEU C . 25428 1 515 . 1 1 43 43 LEU CA C 13 54.853 0.19 . . . . . A 43 LEU CA . 25428 1 516 . 1 1 43 43 LEU CB C 13 39.586 0.19 . . . . . A 43 LEU CB . 25428 1 517 . 1 1 43 43 LEU CG C 13 23.872 0.19 . . . . . A 43 LEU CG . 25428 1 518 . 1 1 43 43 LEU CD1 C 13 21.690 0.19 . . . . . A 43 LEU CD1 . 25428 1 519 . 1 1 43 43 LEU CD2 C 13 22.382 0.19 . . . . . A 43 LEU CD2 . 25428 1 520 . 1 1 43 43 LEU N N 15 120.443 0.14 . . . . . A 43 LEU N . 25428 1 521 . 1 1 44 44 LYS H H 1 7.722 0.008 . . . . . A 44 LYS H . 25428 1 522 . 1 1 44 44 LYS HA H 1 4.025 0.008 . . . . . A 44 LYS HA . 25428 1 523 . 1 1 44 44 LYS HB2 H 1 1.787 0.008 . . . . . A 44 LYS HB2 . 25428 1 524 . 1 1 44 44 LYS HB3 H 1 1.787 0.008 . . . . . A 44 LYS HB3 . 25428 1 525 . 1 1 44 44 LYS HG2 H 1 1.288 0.008 . . . . . A 44 LYS HG2 . 25428 1 526 . 1 1 44 44 LYS HG3 H 1 1.288 0.008 . . . . . A 44 LYS HG3 . 25428 1 527 . 1 1 44 44 LYS HD2 H 1 1.554 0.008 . . . . . A 44 LYS HD2 . 25428 1 528 . 1 1 44 44 LYS HD3 H 1 1.311 0.008 . . . . . A 44 LYS HD3 . 25428 1 529 . 1 1 44 44 LYS HE2 H 1 2.847 0.008 . . . . . A 44 LYS HE2 . 25428 1 530 . 1 1 44 44 LYS HE3 H 1 2.847 0.008 . . . . . A 44 LYS HE3 . 25428 1 531 . 1 1 44 44 LYS C C 13 174.406 0.19 . . . . . A 44 LYS C . 25428 1 532 . 1 1 44 44 LYS CA C 13 55.431 0.19 . . . . . A 44 LYS CA . 25428 1 533 . 1 1 44 44 LYS CB C 13 29.673 0.19 . . . . . A 44 LYS CB . 25428 1 534 . 1 1 44 44 LYS CG C 13 21.782 0.19 . . . . . A 44 LYS CG . 25428 1 535 . 1 1 44 44 LYS CD C 13 23.182 0.19 . . . . . A 44 LYS CD . 25428 1 536 . 1 1 44 44 LYS CE C 13 39.086 0.19 . . . . . A 44 LYS CE . 25428 1 537 . 1 1 44 44 LYS N N 15 116.644 0.14 . . . . . A 44 LYS N . 25428 1 538 . 1 1 45 45 GLU H H 1 7.281 0.008 . . . . . A 45 GLU H . 25428 1 539 . 1 1 45 45 GLU HA H 1 4.014 0.008 . . . . . A 45 GLU HA . 25428 1 540 . 1 1 45 45 GLU HB2 H 1 1.864 0.008 . . . . . A 45 GLU HB2 . 25428 1 541 . 1 1 45 45 GLU HG2 H 1 2.092 0.008 . . . . . A 45 GLU HG2 . 25428 1 542 . 1 1 45 45 GLU HG3 H 1 2.434 0.008 . . . . . A 45 GLU HG3 . 25428 1 543 . 1 1 45 45 GLU C C 13 174.383 0.19 . . . . . A 45 GLU C . 25428 1 544 . 1 1 45 45 GLU CA C 13 54.281 0.19 . . . . . A 45 GLU CA . 25428 1 545 . 1 1 45 45 GLU CB C 13 26.997 0.19 . . . . . A 45 GLU CB . 25428 1 546 . 1 1 45 45 GLU CG C 13 33.619 0.19 . . . . . A 45 GLU CG . 25428 1 547 . 1 1 45 45 GLU N N 15 115.882 0.14 . . . . . A 45 GLU N . 25428 1 548 . 1 1 46 46 PHE H H 1 7.342 0.008 . . . . . A 46 PHE H . 25428 1 549 . 1 1 46 46 PHE HA H 1 4.348 0.008 . . . . . A 46 PHE HA . 25428 1 550 . 1 1 46 46 PHE HB2 H 1 3.004 0.008 . . . . . A 46 PHE HB2 . 25428 1 551 . 1 1 46 46 PHE HB3 H 1 3.224 0.008 . . . . . A 46 PHE HB3 . 25428 1 552 . 1 1 46 46 PHE HD1 H 1 7.336 0.008 . . . . . A 46 PHE HD1 . 25428 1 553 . 1 1 46 46 PHE HD2 H 1 7.336 0.008 . . . . . A 46 PHE HD2 . 25428 1 554 . 1 1 46 46 PHE HE1 H 1 7.155 0.008 . . . . . A 46 PHE HE1 . 25428 1 555 . 1 1 46 46 PHE HE2 H 1 7.155 0.008 . . . . . A 46 PHE HE2 . 25428 1 556 . 1 1 46 46 PHE HZ H 1 7.256 0.008 . . . . . A 46 PHE HZ . 25428 1 557 . 1 1 46 46 PHE C C 13 173.933 0.19 . . . . . A 46 PHE C . 25428 1 558 . 1 1 46 46 PHE CA C 13 55.339 0.19 . . . . . A 46 PHE CA . 25428 1 559 . 1 1 46 46 PHE CB C 13 38.417 0.19 . . . . . A 46 PHE CB . 25428 1 560 . 1 1 46 46 PHE CD1 C 13 128.720 0.19 . . . . . A 46 PHE CD1 . 25428 1 561 . 1 1 46 46 PHE CE1 C 13 128.631 0.19 . . . . . A 46 PHE CE1 . 25428 1 562 . 1 1 46 46 PHE CZ C 13 125.844 0.19 . . . . . A 46 PHE CZ . 25428 1 563 . 1 1 46 46 PHE N N 15 118.293 0.14 . . . . . A 46 PHE N . 25428 1 564 . 1 1 47 47 ASN H H 1 8.348 0.008 . . . . . A 47 ASN H . 25428 1 565 . 1 1 47 47 ASN HA H 1 4.607 0.008 . . . . . A 47 ASN HA . 25428 1 566 . 1 1 47 47 ASN HB2 H 1 3.174 0.008 . . . . . A 47 ASN HB2 . 25428 1 567 . 1 1 47 47 ASN HB3 H 1 2.950 0.008 . . . . . A 47 ASN HB3 . 25428 1 568 . 1 1 47 47 ASN HD21 H 1 6.991 0.008 . . . . . A 47 ASN HD21 . 25428 1 569 . 1 1 47 47 ASN HD22 H 1 7.661 0.008 . . . . . A 47 ASN HD22 . 25428 1 570 . 1 1 47 47 ASN C C 13 172.500 0.19 . . . . . A 47 ASN C . 25428 1 571 . 1 1 47 47 ASN CA C 13 49.660 0.19 . . . . . A 47 ASN CA . 25428 1 572 . 1 1 47 47 ASN CB C 13 35.186 0.19 . . . . . A 47 ASN CB . 25428 1 573 . 1 1 47 47 ASN N N 15 117.552 0.14 . . . . . A 47 ASN N . 25428 1 574 . 1 1 47 47 ASN ND2 N 15 112.902 0.14 . . . . . A 47 ASN ND2 . 25428 1 575 . 1 1 48 48 GLU H H 1 8.657 0.008 . . . . . A 48 GLU H . 25428 1 576 . 1 1 48 48 GLU HA H 1 3.678 0.008 . . . . . A 48 GLU HA . 25428 1 577 . 1 1 48 48 GLU HB2 H 1 2.031 0.008 . . . . . A 48 GLU HB2 . 25428 1 578 . 1 1 48 48 GLU HB3 H 1 1.926 0.008 . . . . . A 48 GLU HB3 . 25428 1 579 . 1 1 48 48 GLU HG2 H 1 2.034 0.008 . . . . . A 48 GLU HG2 . 25428 1 580 . 1 1 48 48 GLU HG3 H 1 2.034 0.008 . . . . . A 48 GLU HG3 . 25428 1 581 . 1 1 48 48 GLU C C 13 174.313 0.19 . . . . . A 48 GLU C . 25428 1 582 . 1 1 48 48 GLU CA C 13 58.386 0.19 . . . . . A 48 GLU CA . 25428 1 583 . 1 1 48 48 GLU CB C 13 27.594 0.19 . . . . . A 48 GLU CB . 25428 1 584 . 1 1 48 48 GLU CG C 13 34.646 0.19 . . . . . A 48 GLU CG . 25428 1 585 . 1 1 48 48 GLU N N 15 121.194 0.14 . . . . . A 48 GLU N . 25428 1 586 . 1 1 49 49 ASP H H 1 8.186 0.008 . . . . . A 49 ASP H . 25428 1 587 . 1 1 49 49 ASP HA H 1 4.223 0.008 . . . . . A 49 ASP HA . 25428 1 588 . 1 1 49 49 ASP HB2 H 1 2.513 0.008 . . . . . A 49 ASP HB2 . 25428 1 589 . 1 1 49 49 ASP HB3 H 1 2.577 0.008 . . . . . A 49 ASP HB3 . 25428 1 590 . 1 1 49 49 ASP C C 13 176.778 0.19 . . . . . A 49 ASP C . 25428 1 591 . 1 1 49 49 ASP CA C 13 54.688 0.19 . . . . . A 49 ASP CA . 25428 1 592 . 1 1 49 49 ASP CB C 13 37.441 0.19 . . . . . A 49 ASP CB . 25428 1 593 . 1 1 49 49 ASP N N 15 115.316 0.14 . . . . . A 49 ASP N . 25428 1 594 . 1 1 50 50 GLY H H 1 8.146 0.008 . . . . . A 50 GLY H . 25428 1 595 . 1 1 50 50 GLY HA3 H 1 3.717 0.008 . . . . . A 50 GLY HA3 . 25428 1 596 . 1 1 50 50 GLY C C 13 171.469 0.19 . . . . . A 50 GLY C . 25428 1 597 . 1 1 50 50 GLY CA C 13 44.341 0.19 . . . . . A 50 GLY CA . 25428 1 598 . 1 1 50 50 GLY N N 15 109.745 0.14 . . . . . A 50 GLY N . 25428 1 599 . 1 1 51 51 ALA H H 1 8.554 0.008 . . . . . A 51 ALA H . 25428 1 600 . 1 1 51 51 ALA HA H 1 3.367 0.008 . . . . . A 51 ALA HA . 25428 1 601 . 1 1 51 51 ALA HB1 H 1 1.326 0.008 . . . . . A 51 ALA HB1 . 25428 1 602 . 1 1 51 51 ALA HB2 H 1 1.326 0.008 . . . . . A 51 ALA HB2 . 25428 1 603 . 1 1 51 51 ALA HB3 H 1 1.326 0.008 . . . . . A 51 ALA HB3 . 25428 1 604 . 1 1 51 51 ALA C C 13 177.022 0.19 . . . . . A 51 ALA C . 25428 1 605 . 1 1 51 51 ALA CA C 13 52.163 0.19 . . . . . A 51 ALA CA . 25428 1 606 . 1 1 51 51 ALA CB C 13 16.810 0.19 . . . . . A 51 ALA CB . 25428 1 607 . 1 1 51 51 ALA N N 15 123.698 0.14 . . . . . A 51 ALA N . 25428 1 608 . 1 1 52 52 LEU H H 1 8.124 0.008 . . . . . A 52 LEU H . 25428 1 609 . 1 1 52 52 LEU HA H 1 3.788 0.008 . . . . . A 52 LEU HA . 25428 1 610 . 1 1 52 52 LEU HB2 H 1 1.364 0.008 . . . . . A 52 LEU HB2 . 25428 1 611 . 1 1 52 52 LEU HB3 H 1 1.822 0.008 . . . . . A 52 LEU HB3 . 25428 1 612 . 1 1 52 52 LEU HG H 1 1.823 0.008 . . . . . A 52 LEU HG . 25428 1 613 . 1 1 52 52 LEU HD11 H 1 0.672 0.008 . . . . . A 52 LEU HD11 . 25428 1 614 . 1 1 52 52 LEU HD12 H 1 0.672 0.008 . . . . . A 52 LEU HD12 . 25428 1 615 . 1 1 52 52 LEU HD13 H 1 0.672 0.008 . . . . . A 52 LEU HD13 . 25428 1 616 . 1 1 52 52 LEU HD21 H 1 0.774 0.008 . . . . . A 52 LEU HD21 . 25428 1 617 . 1 1 52 52 LEU HD22 H 1 0.774 0.008 . . . . . A 52 LEU HD22 . 25428 1 618 . 1 1 52 52 LEU HD23 H 1 0.774 0.008 . . . . . A 52 LEU HD23 . 25428 1 619 . 1 1 52 52 LEU C C 13 176.760 0.19 . . . . . A 52 LEU C . 25428 1 620 . 1 1 52 52 LEU CA C 13 55.261 0.19 . . . . . A 52 LEU CA . 25428 1 621 . 1 1 52 52 LEU CB C 13 38.006 0.19 . . . . . A 52 LEU CB . 25428 1 622 . 1 1 52 52 LEU CG C 13 24.021 0.19 . . . . . A 52 LEU CG . 25428 1 623 . 1 1 52 52 LEU CD1 C 13 20.574 0.19 . . . . . A 52 LEU CD1 . 25428 1 624 . 1 1 52 52 LEU CD2 C 13 22.910 0.19 . . . . . A 52 LEU CD2 . 25428 1 625 . 1 1 52 52 LEU N N 15 115.728 0.14 . . . . . A 52 LEU N . 25428 1 626 . 1 1 53 53 ALA H H 1 7.503 0.008 . . . . . A 53 ALA H . 25428 1 627 . 1 1 53 53 ALA HA H 1 4.020 0.008 . . . . . A 53 ALA HA . 25428 1 628 . 1 1 53 53 ALA HB1 H 1 1.363 0.008 . . . . . A 53 ALA HB1 . 25428 1 629 . 1 1 53 53 ALA HB2 H 1 1.363 0.008 . . . . . A 53 ALA HB2 . 25428 1 630 . 1 1 53 53 ALA HB3 H 1 1.363 0.008 . . . . . A 53 ALA HB3 . 25428 1 631 . 1 1 53 53 ALA CA C 13 52.438 0.19 . . . . . A 53 ALA CA . 25428 1 632 . 1 1 53 53 ALA CB C 13 15.446 0.19 . . . . . A 53 ALA CB . 25428 1 633 . 1 1 53 53 ALA N N 15 123.490 0.14 . . . . . A 53 ALA N . 25428 1 634 . 1 1 54 54 VAL H H 1 7.847 0.008 . . . . . A 54 VAL H . 25428 1 635 . 1 1 54 54 VAL HA H 1 3.078 0.008 . . . . . A 54 VAL HA . 25428 1 636 . 1 1 54 54 VAL HB H 1 1.640 0.008 . . . . . A 54 VAL HB . 25428 1 637 . 1 1 54 54 VAL HG11 H 1 0.055 0.008 . . . . . A 54 VAL HG11 . 25428 1 638 . 1 1 54 54 VAL HG12 H 1 0.055 0.008 . . . . . A 54 VAL HG12 . 25428 1 639 . 1 1 54 54 VAL HG13 H 1 0.055 0.008 . . . . . A 54 VAL HG13 . 25428 1 640 . 1 1 54 54 VAL HG21 H 1 0.320 0.008 . . . . . A 54 VAL HG21 . 25428 1 641 . 1 1 54 54 VAL HG22 H 1 0.320 0.008 . . . . . A 54 VAL HG22 . 25428 1 642 . 1 1 54 54 VAL HG23 H 1 0.320 0.008 . . . . . A 54 VAL HG23 . 25428 1 643 . 1 1 54 54 VAL CA C 13 62.949 0.19 . . . . . A 54 VAL CA . 25428 1 644 . 1 1 54 54 VAL CB C 13 28.357 0.19 . . . . . A 54 VAL CB . 25428 1 645 . 1 1 54 54 VAL CG1 C 13 19.612 0.19 . . . . . A 54 VAL CG1 . 25428 1 646 . 1 1 54 54 VAL CG2 C 13 18.650 0.19 . . . . . A 54 VAL CG2 . 25428 1 647 . 1 1 54 54 VAL N N 15 119.648 0.14 . . . . . A 54 VAL N . 25428 1 648 . 1 1 55 55 LEU H H 1 7.951 0.008 . . . . . A 55 LEU H . 25428 1 649 . 1 1 55 55 LEU HA H 1 3.841 0.008 . . . . . A 55 LEU HA . 25428 1 650 . 1 1 55 55 LEU HB2 H 1 1.806 0.008 . . . . . A 55 LEU HB2 . 25428 1 651 . 1 1 55 55 LEU HB3 H 1 1.037 0.008 . . . . . A 55 LEU HB3 . 25428 1 652 . 1 1 55 55 LEU HG H 1 1.756 0.008 . . . . . A 55 LEU HG . 25428 1 653 . 1 1 55 55 LEU HD11 H 1 0.675 0.008 . . . . . A 55 LEU HD11 . 25428 1 654 . 1 1 55 55 LEU HD12 H 1 0.675 0.008 . . . . . A 55 LEU HD12 . 25428 1 655 . 1 1 55 55 LEU HD13 H 1 0.675 0.008 . . . . . A 55 LEU HD13 . 25428 1 656 . 1 1 55 55 LEU HD21 H 1 0.525 0.008 . . . . . A 55 LEU HD21 . 25428 1 657 . 1 1 55 55 LEU HD22 H 1 0.525 0.008 . . . . . A 55 LEU HD22 . 25428 1 658 . 1 1 55 55 LEU HD23 H 1 0.525 0.008 . . . . . A 55 LEU HD23 . 25428 1 659 . 1 1 55 55 LEU C C 13 175.988 0.19 . . . . . A 55 LEU C . 25428 1 660 . 1 1 55 55 LEU CA C 13 54.655 0.19 . . . . . A 55 LEU CA . 25428 1 661 . 1 1 55 55 LEU CB C 13 38.850 0.19 . . . . . A 55 LEU CB . 25428 1 662 . 1 1 55 55 LEU CG C 13 23.610 0.19 . . . . . A 55 LEU CG . 25428 1 663 . 1 1 55 55 LEU CD1 C 13 24.961 0.19 . . . . . A 55 LEU CD1 . 25428 1 664 . 1 1 55 55 LEU CD2 C 13 19.527 0.19 . . . . . A 55 LEU CD2 . 25428 1 665 . 1 1 55 55 LEU N N 15 118.185 0.14 . . . . . A 55 LEU N . 25428 1 666 . 1 1 56 56 GLN H H 1 8.080 0.008 . . . . . A 56 GLN H . 25428 1 667 . 1 1 56 56 GLN HA H 1 3.755 0.008 . . . . . A 56 GLN HA . 25428 1 668 . 1 1 56 56 GLN HB2 H 1 2.060 0.008 . . . . . A 56 GLN HB2 . 25428 1 669 . 1 1 56 56 GLN HB3 H 1 2.132 0.008 . . . . . A 56 GLN HB3 . 25428 1 670 . 1 1 56 56 GLN HG2 H 1 2.298 0.008 . . . . . A 56 GLN HG2 . 25428 1 671 . 1 1 56 56 GLN HG3 H 1 2.266 0.008 . . . . . A 56 GLN HG3 . 25428 1 672 . 1 1 56 56 GLN HE21 H 1 6.750 0.008 . . . . . A 56 GLN HE21 . 25428 1 673 . 1 1 56 56 GLN HE22 H 1 7.372 0.008 . . . . . A 56 GLN HE22 . 25428 1 674 . 1 1 56 56 GLN C C 13 174.357 0.19 . . . . . A 56 GLN C . 25428 1 675 . 1 1 56 56 GLN CA C 13 55.719 0.19 . . . . . A 56 GLN CA . 25428 1 676 . 1 1 56 56 GLN CB C 13 25.217 0.19 . . . . . A 56 GLN CB . 25428 1 677 . 1 1 56 56 GLN CG C 13 30.246 0.19 . . . . . A 56 GLN CG . 25428 1 678 . 1 1 56 56 GLN N N 15 120.271 0.14 . . . . . A 56 GLN N . 25428 1 679 . 1 1 56 56 GLN NE2 N 15 111.568 0.14 . . . . . A 56 GLN NE2 . 25428 1 680 . 1 1 57 57 GLN H H 1 7.697 0.008 . . . . . A 57 GLN H . 25428 1 681 . 1 1 57 57 GLN HA H 1 3.995 0.008 . . . . . A 57 GLN HA . 25428 1 682 . 1 1 57 57 GLN HB2 H 1 1.942 0.008 . . . . . A 57 GLN HB2 . 25428 1 683 . 1 1 57 57 GLN HB3 H 1 2.092 0.008 . . . . . A 57 GLN HB3 . 25428 1 684 . 1 1 57 57 GLN HG2 H 1 2.444 0.008 . . . . . A 57 GLN HG2 . 25428 1 685 . 1 1 57 57 GLN HG3 H 1 2.250 0.008 . . . . . A 57 GLN HG3 . 25428 1 686 . 1 1 57 57 GLN HE21 H 1 7.344 0.008 . . . . . A 57 GLN HE21 . 25428 1 687 . 1 1 57 57 GLN HE22 H 1 6.584 0.008 . . . . . A 57 GLN HE22 . 25428 1 688 . 1 1 57 57 GLN C C 13 177.125 0.19 . . . . . A 57 GLN C . 25428 1 689 . 1 1 57 57 GLN CA C 13 56.060 0.19 . . . . . A 57 GLN CA . 25428 1 690 . 1 1 57 57 GLN CB C 13 25.148 0.19 . . . . . A 57 GLN CB . 25428 1 691 . 1 1 57 57 GLN CG C 13 31.102 0.19 . . . . . A 57 GLN CG . 25428 1 692 . 1 1 57 57 GLN N N 15 117.610 0.14 . . . . . A 57 GLN N . 25428 1 693 . 1 1 57 57 GLN NE2 N 15 110.000 0.14 . . . . . A 57 GLN NE2 . 25428 1 694 . 1 1 58 58 PHE H H 1 8.482 0.008 . . . . . A 58 PHE H . 25428 1 695 . 1 1 58 58 PHE HA H 1 4.200 0.008 . . . . . A 58 PHE HA . 25428 1 696 . 1 1 58 58 PHE HB2 H 1 2.946 0.008 . . . . . A 58 PHE HB2 . 25428 1 697 . 1 1 58 58 PHE HB3 H 1 3.330 0.008 . . . . . A 58 PHE HB3 . 25428 1 698 . 1 1 58 58 PHE HD1 H 1 7.070 0.008 . . . . . A 58 PHE HD1 . 25428 1 699 . 1 1 58 58 PHE HD2 H 1 7.070 0.008 . . . . . A 58 PHE HD2 . 25428 1 700 . 1 1 58 58 PHE HE1 H 1 7.185 0.008 . . . . . A 58 PHE HE1 . 25428 1 701 . 1 1 58 58 PHE HE2 H 1 7.185 0.008 . . . . . A 58 PHE HE2 . 25428 1 702 . 1 1 58 58 PHE HZ H 1 6.923 0.008 . . . . . A 58 PHE HZ . 25428 1 703 . 1 1 58 58 PHE C C 13 172.960 0.19 . . . . . A 58 PHE C . 25428 1 704 . 1 1 58 58 PHE CA C 13 58.622 0.19 . . . . . A 58 PHE CA . 25428 1 705 . 1 1 58 58 PHE CB C 13 37.309 0.19 . . . . . A 58 PHE CB . 25428 1 706 . 1 1 58 58 PHE CD2 C 13 128.565 0.19 . . . . . A 58 PHE CD2 . 25428 1 707 . 1 1 58 58 PHE CE2 C 13 128.626 0.19 . . . . . A 58 PHE CE2 . 25428 1 708 . 1 1 58 58 PHE CZ C 13 126.568 0.19 . . . . . A 58 PHE CZ . 25428 1 709 . 1 1 58 58 PHE N N 15 120.365 0.14 . . . . . A 58 PHE N . 25428 1 710 . 1 1 59 59 LYS H H 1 8.403 0.008 . . . . . A 59 LYS H . 25428 1 711 . 1 1 59 59 LYS HA H 1 3.627 0.008 . . . . . A 59 LYS HA . 25428 1 712 . 1 1 59 59 LYS HB2 H 1 1.787 0.008 . . . . . A 59 LYS HB2 . 25428 1 713 . 1 1 59 59 LYS HB3 H 1 1.816 0.008 . . . . . A 59 LYS HB3 . 25428 1 714 . 1 1 59 59 LYS HG2 H 1 1.250 0.008 . . . . . A 59 LYS HG2 . 25428 1 715 . 1 1 59 59 LYS HG3 H 1 1.526 0.008 . . . . . A 59 LYS HG3 . 25428 1 716 . 1 1 59 59 LYS HD2 H 1 1.456 0.008 . . . . . A 59 LYS HD2 . 25428 1 717 . 1 1 59 59 LYS HD3 H 1 1.531 0.008 . . . . . A 59 LYS HD3 . 25428 1 718 . 1 1 59 59 LYS HE2 H 1 2.786 0.008 . . . . . A 59 LYS HE2 . 25428 1 719 . 1 1 59 59 LYS HE3 H 1 2.786 0.008 . . . . . A 59 LYS HE3 . 25428 1 720 . 1 1 59 59 LYS C C 13 174.015 0.19 . . . . . A 59 LYS C . 25428 1 721 . 1 1 59 59 LYS CA C 13 56.227 0.19 . . . . . A 59 LYS CA . 25428 1 722 . 1 1 59 59 LYS CB C 13 29.478 0.19 . . . . . A 59 LYS CB . 25428 1 723 . 1 1 59 59 LYS CG C 13 22.152 0.19 . . . . . A 59 LYS CG . 25428 1 724 . 1 1 59 59 LYS CD C 13 26.787 0.19 . . . . . A 59 LYS CD . 25428 1 725 . 1 1 59 59 LYS CE C 13 39.092 0.19 . . . . . A 59 LYS CE . 25428 1 726 . 1 1 59 59 LYS N N 15 117.757 0.14 . . . . . A 59 LYS N . 25428 1 727 . 1 1 60 60 ASP H H 1 7.613 0.008 . . . . . A 60 ASP H . 25428 1 728 . 1 1 60 60 ASP HA H 1 4.630 0.008 . . . . . A 60 ASP HA . 25428 1 729 . 1 1 60 60 ASP HB2 H 1 2.549 0.008 . . . . . A 60 ASP HB2 . 25428 1 730 . 1 1 60 60 ASP HB3 H 1 2.816 0.008 . . . . . A 60 ASP HB3 . 25428 1 731 . 1 1 60 60 ASP C C 13 174.154 0.19 . . . . . A 60 ASP C . 25428 1 732 . 1 1 60 60 ASP CA C 13 51.754 0.19 . . . . . A 60 ASP CA . 25428 1 733 . 1 1 60 60 ASP CB C 13 38.013 0.19 . . . . . A 60 ASP CB . 25428 1 734 . 1 1 60 60 ASP N N 15 116.580 0.14 . . . . . A 60 ASP N . 25428 1 735 . 1 1 61 61 SER H H 1 7.363 0.008 . . . . . A 61 SER H . 25428 1 736 . 1 1 61 61 SER HA H 1 4.383 0.008 . . . . . A 61 SER HA . 25428 1 737 . 1 1 61 61 SER HB2 H 1 3.629 0.008 . . . . . A 61 SER HB2 . 25428 1 738 . 1 1 61 61 SER HB3 H 1 3.907 0.008 . . . . . A 61 SER HB3 . 25428 1 739 . 1 1 61 61 SER C C 13 169.538 0.19 . . . . . A 61 SER C . 25428 1 740 . 1 1 61 61 SER CA C 13 56.682 0.19 . . . . . A 61 SER CA . 25428 1 741 . 1 1 61 61 SER CB C 13 61.698 0.19 . . . . . A 61 SER CB . 25428 1 742 . 1 1 61 61 SER N N 15 117.142 0.14 . . . . . A 61 SER N . 25428 1 743 . 1 1 62 62 ASP H H 1 8.484 0.008 . . . . . A 62 ASP H . 25428 1 744 . 1 1 62 62 ASP HA H 1 4.550 0.008 . . . . . A 62 ASP HA . 25428 1 745 . 1 1 62 62 ASP HB2 H 1 2.524 0.008 . . . . . A 62 ASP HB2 . 25428 1 746 . 1 1 62 62 ASP HB3 H 1 2.762 0.008 . . . . . A 62 ASP HB3 . 25428 1 747 . 1 1 62 62 ASP CA C 13 50.266 0.19 . . . . . A 62 ASP CA . 25428 1 748 . 1 1 62 62 ASP CB C 13 36.179 0.19 . . . . . A 62 ASP CB . 25428 1 749 . 1 1 62 62 ASP N N 15 120.580 0.14 . . . . . A 62 ASP N . 25428 1 750 . 1 1 63 63 LEU H H 1 8.247 0.008 . . . . . A 63 LEU H . 25428 1 751 . 1 1 63 63 LEU HA H 1 3.811 0.008 . . . . . A 63 LEU HA . 25428 1 752 . 1 1 63 63 LEU HB2 H 1 1.459 0.008 . . . . . A 63 LEU HB2 . 25428 1 753 . 1 1 63 63 LEU HB3 H 1 1.099 0.008 . . . . . A 63 LEU HB3 . 25428 1 754 . 1 1 63 63 LEU HG H 1 1.150 0.008 . . . . . A 63 LEU HG . 25428 1 755 . 1 1 63 63 LEU HD11 H 1 -0.170 0.008 . . . . . A 63 LEU HD11 . 25428 1 756 . 1 1 63 63 LEU HD12 H 1 -0.170 0.008 . . . . . A 63 LEU HD12 . 25428 1 757 . 1 1 63 63 LEU HD13 H 1 -0.170 0.008 . . . . . A 63 LEU HD13 . 25428 1 758 . 1 1 63 63 LEU HD21 H 1 0.113 0.008 . . . . . A 63 LEU HD21 . 25428 1 759 . 1 1 63 63 LEU HD22 H 1 0.113 0.008 . . . . . A 63 LEU HD22 . 25428 1 760 . 1 1 63 63 LEU HD23 H 1 0.113 0.008 . . . . . A 63 LEU HD23 . 25428 1 761 . 1 1 63 63 LEU CA C 13 51.921 0.19 . . . . . A 63 LEU CA . 25428 1 762 . 1 1 63 63 LEU CB C 13 39.003 0.19 . . . . . A 63 LEU CB . 25428 1 763 . 1 1 63 63 LEU CG C 13 23.250 0.19 . . . . . A 63 LEU CG . 25428 1 764 . 1 1 63 63 LEU CD1 C 13 19.918 0.19 . . . . . A 63 LEU CD1 . 25428 1 765 . 1 1 63 63 LEU CD2 C 13 23.095 0.19 . . . . . A 63 LEU CD2 . 25428 1 766 . 1 1 63 63 LEU N N 15 126.269 0.14 . . . . . A 63 LEU N . 25428 1 767 . 1 1 64 64 SER H H 1 8.216 0.008 . . . . . A 64 SER H . 25428 1 768 . 1 1 64 64 SER HA H 1 3.862 0.008 . . . . . A 64 SER HA . 25428 1 769 . 1 1 64 64 SER HB2 H 1 3.540 0.008 . . . . . A 64 SER HB2 . 25428 1 770 . 1 1 64 64 SER HB3 H 1 3.689 0.008 . . . . . A 64 SER HB3 . 25428 1 771 . 1 1 64 64 SER C C 13 172.812 0.19 . . . . . A 64 SER C . 25428 1 772 . 1 1 64 64 SER CA C 13 58.914 0.19 . . . . . A 64 SER CA . 25428 1 773 . 1 1 64 64 SER CB C 13 59.851 0.19 . . . . . A 64 SER CB . 25428 1 774 . 1 1 64 64 SER N N 15 116.388 0.14 . . . . . A 64 SER N . 25428 1 775 . 1 1 65 65 HIS H H 1 8.135 0.008 . . . . . A 65 HIS H . 25428 1 776 . 1 1 65 65 HIS HA H 1 4.713 0.008 . . . . . A 65 HIS HA . 25428 1 777 . 1 1 65 65 HIS HB2 H 1 3.441 0.008 . . . . . A 65 HIS HB2 . 25428 1 778 . 1 1 65 65 HIS HB3 H 1 2.709 0.008 . . . . . A 65 HIS HB3 . 25428 1 779 . 1 1 65 65 HIS HD2 H 1 7.190 0.008 . . . . . A 65 HIS HD2 . 25428 1 780 . 1 1 65 65 HIS HE1 H 1 8.354 0.008 . . . . . A 65 HIS HE1 . 25428 1 781 . 1 1 65 65 HIS C C 13 171.008 0.19 . . . . . A 65 HIS C . 25428 1 782 . 1 1 65 65 HIS CA C 13 52.236 0.19 . . . . . A 65 HIS CA . 25428 1 783 . 1 1 65 65 HIS CB C 13 25.765 0.19 . . . . . A 65 HIS CB . 25428 1 784 . 1 1 65 65 HIS CD2 C 13 117.206 0.19 . . . . . A 65 HIS CD2 . 25428 1 785 . 1 1 65 65 HIS CE1 C 13 133.331 0.19 . . . . . A 65 HIS CE1 . 25428 1 786 . 1 1 65 65 HIS N N 15 117.601 0.14 . . . . . A 65 HIS N . 25428 1 787 . 1 1 66 66 VAL H H 1 6.987 0.008 . . . . . A 66 VAL H . 25428 1 788 . 1 1 66 66 VAL HA H 1 3.857 0.008 . . . . . A 66 VAL HA . 25428 1 789 . 1 1 66 66 VAL HB H 1 1.661 0.008 . . . . . A 66 VAL HB . 25428 1 790 . 1 1 66 66 VAL HG11 H 1 0.584 0.008 . . . . . A 66 VAL HG11 . 25428 1 791 . 1 1 66 66 VAL HG12 H 1 0.584 0.008 . . . . . A 66 VAL HG12 . 25428 1 792 . 1 1 66 66 VAL HG13 H 1 0.584 0.008 . . . . . A 66 VAL HG13 . 25428 1 793 . 1 1 66 66 VAL HG21 H 1 0.412 0.008 . . . . . A 66 VAL HG21 . 25428 1 794 . 1 1 66 66 VAL HG22 H 1 0.412 0.008 . . . . . A 66 VAL HG22 . 25428 1 795 . 1 1 66 66 VAL HG23 H 1 0.412 0.008 . . . . . A 66 VAL HG23 . 25428 1 796 . 1 1 66 66 VAL C C 13 172.336 0.19 . . . . . A 66 VAL C . 25428 1 797 . 1 1 66 66 VAL CA C 13 59.147 0.19 . . . . . A 66 VAL CA . 25428 1 798 . 1 1 66 66 VAL CB C 13 29.577 0.19 . . . . . A 66 VAL CB . 25428 1 799 . 1 1 66 66 VAL CG1 C 13 19.236 0.19 . . . . . A 66 VAL CG1 . 25428 1 800 . 1 1 66 66 VAL CG2 C 13 18.204 0.19 . . . . . A 66 VAL CG2 . 25428 1 801 . 1 1 66 66 VAL N N 15 121.466 0.14 . . . . . A 66 VAL N . 25428 1 802 . 1 1 67 67 GLN H H 1 8.527 0.008 . . . . . A 67 GLN H . 25428 1 803 . 1 1 67 67 GLN HA H 1 4.149 0.008 . . . . . A 67 GLN HA . 25428 1 804 . 1 1 67 67 GLN HB2 H 1 2.037 0.008 . . . . . A 67 GLN HB2 . 25428 1 805 . 1 1 67 67 GLN HB3 H 1 2.037 0.008 . . . . . A 67 GLN HB3 . 25428 1 806 . 1 1 67 67 GLN HG2 H 1 2.291 0.008 . . . . . A 67 GLN HG2 . 25428 1 807 . 1 1 67 67 GLN HG3 H 1 2.337 0.008 . . . . . A 67 GLN HG3 . 25428 1 808 . 1 1 67 67 GLN HE21 H 1 7.928 0.008 . . . . . A 67 GLN HE21 . 25428 1 809 . 1 1 67 67 GLN HE22 H 1 6.789 0.008 . . . . . A 67 GLN HE22 . 25428 1 810 . 1 1 67 67 GLN CA C 13 55.100 0.19 . . . . . A 67 GLN CA . 25428 1 811 . 1 1 67 67 GLN CB C 13 26.315 0.19 . . . . . A 67 GLN CB . 25428 1 812 . 1 1 67 67 GLN CG C 13 31.238 0.19 . . . . . A 67 GLN CG . 25428 1 813 . 1 1 67 67 GLN N N 15 127.282 0.14 . . . . . A 67 GLN N . 25428 1 814 . 1 1 67 67 GLN NE2 N 15 116.389 0.14 . . . . . A 67 GLN NE2 . 25428 1 815 . 1 1 68 68 ASN H H 1 8.183 0.008 . . . . . A 68 ASN H . 25428 1 816 . 1 1 68 68 ASN HA H 1 4.935 0.008 . . . . . A 68 ASN HA . 25428 1 817 . 1 1 68 68 ASN HB2 H 1 3.070 0.008 . . . . . A 68 ASN HB2 . 25428 1 818 . 1 1 68 68 ASN HB3 H 1 2.642 0.008 . . . . . A 68 ASN HB3 . 25428 1 819 . 1 1 68 68 ASN HD21 H 1 7.065 0.008 . . . . . A 68 ASN HD21 . 25428 1 820 . 1 1 68 68 ASN HD22 H 1 7.662 0.008 . . . . . A 68 ASN HD22 . 25428 1 821 . 1 1 68 68 ASN CA C 13 48.730 0.19 . . . . . A 68 ASN CA . 25428 1 822 . 1 1 68 68 ASN CB C 13 35.131 0.19 . . . . . A 68 ASN CB . 25428 1 823 . 1 1 68 68 ASN N N 15 117.044 0.14 . . . . . A 68 ASN N . 25428 1 824 . 1 1 68 68 ASN ND2 N 15 112.874 0.14 . . . . . A 68 ASN ND2 . 25428 1 825 . 1 1 69 69 LYS H H 1 9.071 0.008 . . . . . A 69 LYS H . 25428 1 826 . 1 1 69 69 LYS HA H 1 3.933 0.008 . . . . . A 69 LYS HA . 25428 1 827 . 1 1 69 69 LYS HB2 H 1 1.888 0.008 . . . . . A 69 LYS HB2 . 25428 1 828 . 1 1 69 69 LYS HB3 H 1 1.905 0.008 . . . . . A 69 LYS HB3 . 25428 1 829 . 1 1 69 69 LYS HD2 H 1 1.383 0.008 . . . . . A 69 LYS HD2 . 25428 1 830 . 1 1 69 69 LYS HD3 H 1 1.571 0.008 . . . . . A 69 LYS HD3 . 25428 1 831 . 1 1 69 69 LYS HE2 H 1 3.186 0.008 . . . . . A 69 LYS HE2 . 25428 1 832 . 1 1 69 69 LYS HE3 H 1 3.186 0.008 . . . . . A 69 LYS HE3 . 25428 1 833 . 1 1 69 69 LYS CA C 13 57.605 0.19 . . . . . A 69 LYS CA . 25428 1 834 . 1 1 69 69 LYS CB C 13 30.295 0.19 . . . . . A 69 LYS CB . 25428 1 835 . 1 1 69 69 LYS CD C 13 25.239 0.19 . . . . . A 69 LYS CD . 25428 1 836 . 1 1 69 69 LYS CE C 13 37.297 0.19 . . . . . A 69 LYS CE . 25428 1 837 . 1 1 69 69 LYS N N 15 125.145 0.14 . . . . . A 69 LYS N . 25428 1 838 . 1 1 70 70 SER H H 1 8.504 0.008 . . . . . A 70 SER H . 25428 1 839 . 1 1 70 70 SER HA H 1 4.220 0.008 . . . . . A 70 SER HA . 25428 1 840 . 1 1 70 70 SER HB2 H 1 3.986 0.008 . . . . . A 70 SER HB2 . 25428 1 841 . 1 1 70 70 SER HB3 H 1 3.986 0.008 . . . . . A 70 SER HB3 . 25428 1 842 . 1 1 70 70 SER CA C 13 59.898 0.19 . . . . . A 70 SER CA . 25428 1 843 . 1 1 70 70 SER CB C 13 59.848 0.19 . . . . . A 70 SER CB . 25428 1 844 . 1 1 70 70 SER N N 15 116.020 0.14 . . . . . A 70 SER N . 25428 1 845 . 1 1 71 71 ALA H H 1 7.911 0.008 . . . . . A 71 ALA H . 25428 1 846 . 1 1 71 71 ALA HA H 1 3.974 0.008 . . . . . A 71 ALA HA . 25428 1 847 . 1 1 71 71 ALA HB1 H 1 1.337 0.008 . . . . . A 71 ALA HB1 . 25428 1 848 . 1 1 71 71 ALA HB2 H 1 1.337 0.008 . . . . . A 71 ALA HB2 . 25428 1 849 . 1 1 71 71 ALA HB3 H 1 1.337 0.008 . . . . . A 71 ALA HB3 . 25428 1 850 . 1 1 71 71 ALA CA C 13 51.870 0.19 . . . . . A 71 ALA CA . 25428 1 851 . 1 1 71 71 ALA CB C 13 15.067 0.19 . . . . . A 71 ALA CB . 25428 1 852 . 1 1 71 71 ALA N N 15 123.444 0.14 . . . . . A 71 ALA N . 25428 1 853 . 1 1 72 72 PHE H H 1 7.882 0.008 . . . . . A 72 PHE H . 25428 1 854 . 1 1 72 72 PHE HA H 1 4.142 0.008 . . . . . A 72 PHE HA . 25428 1 855 . 1 1 72 72 PHE HB2 H 1 3.193 0.008 . . . . . A 72 PHE HB2 . 25428 1 856 . 1 1 72 72 PHE HB3 H 1 3.193 0.008 . . . . . A 72 PHE HB3 . 25428 1 857 . 1 1 72 72 PHE HD1 H 1 7.175 0.008 . . . . . A 72 PHE HD1 . 25428 1 858 . 1 1 72 72 PHE HD2 H 1 7.175 0.008 . . . . . A 72 PHE HD2 . 25428 1 859 . 1 1 72 72 PHE HE1 H 1 7.252 0.008 . . . . . A 72 PHE HE1 . 25428 1 860 . 1 1 72 72 PHE HE2 H 1 7.252 0.008 . . . . . A 72 PHE HE2 . 25428 1 861 . 1 1 72 72 PHE HZ H 1 7.229 0.008 . . . . . A 72 PHE HZ . 25428 1 862 . 1 1 72 72 PHE C C 13 175.653 0.19 . . . . . A 72 PHE C . 25428 1 863 . 1 1 72 72 PHE CA C 13 58.917 0.19 . . . . . A 72 PHE CA . 25428 1 864 . 1 1 72 72 PHE CB C 13 37.354 0.19 . . . . . A 72 PHE CB . 25428 1 865 . 1 1 72 72 PHE CD2 C 13 128.760 0.19 . . . . . A 72 PHE CD2 . 25428 1 866 . 1 1 72 72 PHE CE2 C 13 128.834 0.19 . . . . . A 72 PHE CE2 . 25428 1 867 . 1 1 72 72 PHE CZ C 13 127.470 0.19 . . . . . A 72 PHE CZ . 25428 1 868 . 1 1 72 72 PHE N N 15 120.178 0.14 . . . . . A 72 PHE N . 25428 1 869 . 1 1 73 73 LEU H H 1 8.471 0.008 . . . . . A 73 LEU H . 25428 1 870 . 1 1 73 73 LEU HA H 1 3.753 0.008 . . . . . A 73 LEU HA . 25428 1 871 . 1 1 73 73 LEU HB2 H 1 1.075 0.008 . . . . . A 73 LEU HB2 . 25428 1 872 . 1 1 73 73 LEU HB3 H 1 1.856 0.008 . . . . . A 73 LEU HB3 . 25428 1 873 . 1 1 73 73 LEU HG H 1 1.257 0.008 . . . . . A 73 LEU HG . 25428 1 874 . 1 1 73 73 LEU HD11 H 1 0.335 0.008 . . . . . A 73 LEU HD11 . 25428 1 875 . 1 1 73 73 LEU HD12 H 1 0.335 0.008 . . . . . A 73 LEU HD12 . 25428 1 876 . 1 1 73 73 LEU HD13 H 1 0.335 0.008 . . . . . A 73 LEU HD13 . 25428 1 877 . 1 1 73 73 LEU HD21 H 1 0.114 0.008 . . . . . A 73 LEU HD21 . 25428 1 878 . 1 1 73 73 LEU HD22 H 1 0.114 0.008 . . . . . A 73 LEU HD22 . 25428 1 879 . 1 1 73 73 LEU HD23 H 1 0.114 0.008 . . . . . A 73 LEU HD23 . 25428 1 880 . 1 1 73 73 LEU C C 13 175.921 0.19 . . . . . A 73 LEU C . 25428 1 881 . 1 1 73 73 LEU CA C 13 55.684 0.19 . . . . . A 73 LEU CA . 25428 1 882 . 1 1 73 73 LEU CB C 13 37.424 0.19 . . . . . A 73 LEU CB . 25428 1 883 . 1 1 73 73 LEU CG C 13 23.748 0.19 . . . . . A 73 LEU CG . 25428 1 884 . 1 1 73 73 LEU CD1 C 13 22.638 0.19 . . . . . A 73 LEU CD1 . 25428 1 885 . 1 1 73 73 LEU CD2 C 13 18.860 0.19 . . . . . A 73 LEU CD2 . 25428 1 886 . 1 1 73 73 LEU N N 15 121.921 0.14 . . . . . A 73 LEU N . 25428 1 887 . 1 1 74 74 CYS H H 1 8.298 0.008 . . . . . A 74 CYS H . 25428 1 888 . 1 1 74 74 CYS HA H 1 4.112 0.008 . . . . . A 74 CYS HA . 25428 1 889 . 1 1 74 74 CYS HB2 H 1 2.954 0.008 . . . . . A 74 CYS HB2 . 25428 1 890 . 1 1 74 74 CYS HB3 H 1 2.784 0.008 . . . . . A 74 CYS HB3 . 25428 1 891 . 1 1 74 74 CYS C C 13 174.901 0.19 . . . . . A 74 CYS C . 25428 1 892 . 1 1 74 74 CYS CA C 13 61.104 0.19 . . . . . A 74 CYS CA . 25428 1 893 . 1 1 74 74 CYS CB C 13 23.632 0.19 . . . . . A 74 CYS CB . 25428 1 894 . 1 1 74 74 CYS N N 15 116.964 0.14 . . . . . A 74 CYS N . 25428 1 895 . 1 1 75 75 GLY H H 1 8.128 0.008 . . . . . A 75 GLY H . 25428 1 896 . 1 1 75 75 GLY HA3 H 1 3.758 0.008 . . . . . A 75 GLY HA3 . 25428 1 897 . 1 1 75 75 GLY C C 13 173.633 0.19 . . . . . A 75 GLY C . 25428 1 898 . 1 1 75 75 GLY CA C 13 44.385 0.19 . . . . . A 75 GLY CA . 25428 1 899 . 1 1 75 75 GLY N N 15 110.524 0.14 . . . . . A 75 GLY N . 25428 1 900 . 1 1 76 76 VAL H H 1 7.832 0.008 . . . . . A 76 VAL H . 25428 1 901 . 1 1 76 76 VAL HA H 1 3.511 0.008 . . . . . A 76 VAL HA . 25428 1 902 . 1 1 76 76 VAL HB H 1 2.143 0.008 . . . . . A 76 VAL HB . 25428 1 903 . 1 1 76 76 VAL HG11 H 1 0.866 0.008 . . . . . A 76 VAL HG11 . 25428 1 904 . 1 1 76 76 VAL HG12 H 1 0.866 0.008 . . . . . A 76 VAL HG12 . 25428 1 905 . 1 1 76 76 VAL HG13 H 1 0.866 0.008 . . . . . A 76 VAL HG13 . 25428 1 906 . 1 1 76 76 VAL HG21 H 1 0.716 0.008 . . . . . A 76 VAL HG21 . 25428 1 907 . 1 1 76 76 VAL HG22 H 1 0.716 0.008 . . . . . A 76 VAL HG22 . 25428 1 908 . 1 1 76 76 VAL HG23 H 1 0.716 0.008 . . . . . A 76 VAL HG23 . 25428 1 909 . 1 1 76 76 VAL CA C 13 63.391 0.19 . . . . . A 76 VAL CA . 25428 1 910 . 1 1 76 76 VAL CB C 13 28.499 0.19 . . . . . A 76 VAL CB . 25428 1 911 . 1 1 76 76 VAL CG1 C 13 19.977 0.19 . . . . . A 76 VAL CG1 . 25428 1 912 . 1 1 76 76 VAL CG2 C 13 20.024 0.19 . . . . . A 76 VAL CG2 . 25428 1 913 . 1 1 76 76 VAL N N 15 124.398 0.14 . . . . . A 76 VAL N . 25428 1 914 . 1 1 77 77 MET H H 1 7.915 0.008 . . . . . A 77 MET H . 25428 1 915 . 1 1 77 77 MET HA H 1 3.755 0.008 . . . . . A 77 MET HA . 25428 1 916 . 1 1 77 77 MET HB2 H 1 2.336 0.008 . . . . . A 77 MET HB2 . 25428 1 917 . 1 1 77 77 MET HB3 H 1 2.080 0.008 . . . . . A 77 MET HB3 . 25428 1 918 . 1 1 77 77 MET HG2 H 1 2.495 0.008 . . . . . A 77 MET HG2 . 25428 1 919 . 1 1 77 77 MET HG3 H 1 1.998 0.008 . . . . . A 77 MET HG3 . 25428 1 920 . 1 1 77 77 MET HE1 H 1 1.972 0.008 . . . . . A 77 MET HE1 . 25428 1 921 . 1 1 77 77 MET HE2 H 1 1.972 0.008 . . . . . A 77 MET HE2 . 25428 1 922 . 1 1 77 77 MET HE3 H 1 1.972 0.008 . . . . . A 77 MET HE3 . 25428 1 923 . 1 1 77 77 MET CA C 13 57.770 0.19 . . . . . A 77 MET CA . 25428 1 924 . 1 1 77 77 MET CB C 13 31.029 0.19 . . . . . A 77 MET CB . 25428 1 925 . 1 1 77 77 MET CG C 13 31.706 0.19 . . . . . A 77 MET CG . 25428 1 926 . 1 1 77 77 MET CE C 13 15.994 0.19 . . . . . A 77 MET CE . 25428 1 927 . 1 1 77 77 MET N N 15 118.057 0.14 . . . . . A 77 MET N . 25428 1 928 . 1 1 78 78 LYS H H 1 7.803 0.008 . . . . . A 78 LYS H . 25428 1 929 . 1 1 78 78 LYS HA H 1 3.967 0.008 . . . . . A 78 LYS HA . 25428 1 930 . 1 1 78 78 LYS HB2 H 1 1.894 0.008 . . . . . A 78 LYS HB2 . 25428 1 931 . 1 1 78 78 LYS HB3 H 1 1.894 0.008 . . . . . A 78 LYS HB3 . 25428 1 932 . 1 1 78 78 LYS HG2 H 1 1.326 0.008 . . . . . A 78 LYS HG2 . 25428 1 933 . 1 1 78 78 LYS HG3 H 1 1.478 0.008 . . . . . A 78 LYS HG3 . 25428 1 934 . 1 1 78 78 LYS CA C 13 57.157 0.19 . . . . . A 78 LYS CA . 25428 1 935 . 1 1 78 78 LYS CB C 13 29.592 0.19 . . . . . A 78 LYS CB . 25428 1 936 . 1 1 78 78 LYS CG C 13 22.253 0.19 . . . . . A 78 LYS CG . 25428 1 937 . 1 1 78 78 LYS N N 15 118.765 0.14 . . . . . A 78 LYS N . 25428 1 938 . 1 1 79 79 THR H H 1 7.941 0.008 . . . . . A 79 THR H . 25428 1 939 . 1 1 79 79 THR HA H 1 3.893 0.008 . . . . . A 79 THR HA . 25428 1 940 . 1 1 79 79 THR HB H 1 4.135 0.008 . . . . . A 79 THR HB . 25428 1 941 . 1 1 79 79 THR HG21 H 1 1.131 0.008 . . . . . A 79 THR HG21 . 25428 1 942 . 1 1 79 79 THR HG22 H 1 1.131 0.008 . . . . . A 79 THR HG22 . 25428 1 943 . 1 1 79 79 THR HG23 H 1 1.131 0.008 . . . . . A 79 THR HG23 . 25428 1 944 . 1 1 79 79 THR CA C 13 62.715 0.19 . . . . . A 79 THR CA . 25428 1 945 . 1 1 79 79 THR CB C 13 65.978 0.19 . . . . . A 79 THR CB . 25428 1 946 . 1 1 79 79 THR CG2 C 13 19.157 0.19 . . . . . A 79 THR CG2 . 25428 1 947 . 1 1 79 79 THR N N 15 114.076 0.14 . . . . . A 79 THR N . 25428 1 948 . 1 1 80 80 TYR H H 1 8.101 0.008 . . . . . A 80 TYR H . 25428 1 949 . 1 1 80 80 TYR HA H 1 4.018 0.008 . . . . . A 80 TYR HA . 25428 1 950 . 1 1 80 80 TYR HB2 H 1 2.968 0.008 . . . . . A 80 TYR HB2 . 25428 1 951 . 1 1 80 80 TYR HB3 H 1 3.205 0.008 . . . . . A 80 TYR HB3 . 25428 1 952 . 1 1 80 80 TYR HD1 H 1 6.919 0.008 . . . . . A 80 TYR HD1 . 25428 1 953 . 1 1 80 80 TYR HD2 H 1 6.919 0.008 . . . . . A 80 TYR HD2 . 25428 1 954 . 1 1 80 80 TYR HE1 H 1 6.625 0.008 . . . . . A 80 TYR HE1 . 25428 1 955 . 1 1 80 80 TYR HE2 H 1 6.625 0.008 . . . . . A 80 TYR HE2 . 25428 1 956 . 1 1 80 80 TYR CA C 13 58.832 0.19 . . . . . A 80 TYR CA . 25428 1 957 . 1 1 80 80 TYR CB C 13 36.159 0.19 . . . . . A 80 TYR CB . 25428 1 958 . 1 1 80 80 TYR CD1 C 13 130.248 0.19 . . . . . A 80 TYR CD1 . 25428 1 959 . 1 1 80 80 TYR CE1 C 13 115.122 0.19 . . . . . A 80 TYR CE1 . 25428 1 960 . 1 1 80 80 TYR N N 15 123.194 0.14 . . . . . A 80 TYR N . 25428 1 961 . 1 1 81 81 ARG H H 1 8.048 0.008 . . . . . A 81 ARG H . 25428 1 962 . 1 1 81 81 ARG HA H 1 4.056 0.008 . . . . . A 81 ARG HA . 25428 1 963 . 1 1 81 81 ARG HB2 H 1 1.851 0.008 . . . . . A 81 ARG HB2 . 25428 1 964 . 1 1 81 81 ARG HB3 H 1 1.890 0.008 . . . . . A 81 ARG HB3 . 25428 1 965 . 1 1 81 81 ARG HG2 H 1 1.662 0.008 . . . . . A 81 ARG HG2 . 25428 1 966 . 1 1 81 81 ARG HG3 H 1 1.598 0.008 . . . . . A 81 ARG HG3 . 25428 1 967 . 1 1 81 81 ARG CA C 13 55.189 0.19 . . . . . A 81 ARG CA . 25428 1 968 . 1 1 81 81 ARG CB C 13 27.670 0.19 . . . . . A 81 ARG CB . 25428 1 969 . 1 1 81 81 ARG CG C 13 24.791 0.19 . . . . . A 81 ARG CG . 25428 1 970 . 1 1 81 81 ARG N N 15 118.541 0.14 . . . . . A 81 ARG N . 25428 1 971 . 1 1 82 82 GLN H H 1 7.675 0.008 . . . . . A 82 GLN H . 25428 1 972 . 1 1 82 82 GLN HA H 1 4.111 0.008 . . . . . A 82 GLN HA . 25428 1 973 . 1 1 82 82 GLN HB2 H 1 2.025 0.008 . . . . . A 82 GLN HB2 . 25428 1 974 . 1 1 82 82 GLN HB3 H 1 2.074 0.008 . . . . . A 82 GLN HB3 . 25428 1 975 . 1 1 82 82 GLN HG2 H 1 2.324 0.008 . . . . . A 82 GLN HG2 . 25428 1 976 . 1 1 82 82 GLN HG3 H 1 2.428 0.008 . . . . . A 82 GLN HG3 . 25428 1 977 . 1 1 82 82 GLN HE21 H 1 6.756 0.008 . . . . . A 82 GLN HE21 . 25428 1 978 . 1 1 82 82 GLN HE22 H 1 7.432 0.008 . . . . . A 82 GLN HE22 . 25428 1 979 . 1 1 82 82 GLN CA C 13 53.880 0.19 . . . . . A 82 GLN CA . 25428 1 980 . 1 1 82 82 GLN CB C 13 25.988 0.19 . . . . . A 82 GLN CB . 25428 1 981 . 1 1 82 82 GLN CG C 13 31.123 0.19 . . . . . A 82 GLN CG . 25428 1 982 . 1 1 82 82 GLN N N 15 117.664 0.14 . . . . . A 82 GLN N . 25428 1 983 . 1 1 82 82 GLN NE2 N 15 112.388 0.14 . . . . . A 82 GLN NE2 . 25428 1 984 . 1 1 83 83 ARG H H 1 7.538 0.008 . . . . . A 83 ARG H . 25428 1 985 . 1 1 83 83 ARG HA H 1 4.115 0.008 . . . . . A 83 ARG HA . 25428 1 986 . 1 1 83 83 ARG HB2 H 1 1.720 0.008 . . . . . A 83 ARG HB2 . 25428 1 987 . 1 1 83 83 ARG HB3 H 1 1.661 0.008 . . . . . A 83 ARG HB3 . 25428 1 988 . 1 1 83 83 ARG HG2 H 1 1.516 0.008 . . . . . A 83 ARG HG2 . 25428 1 989 . 1 1 83 83 ARG HG3 H 1 1.516 0.008 . . . . . A 83 ARG HG3 . 25428 1 990 . 1 1 83 83 ARG HD2 H 1 2.932 0.008 . . . . . A 83 ARG HD2 . 25428 1 991 . 1 1 83 83 ARG HD3 H 1 2.932 0.008 . . . . . A 83 ARG HD3 . 25428 1 992 . 1 1 83 83 ARG CA C 13 53.889 0.19 . . . . . A 83 ARG CA . 25428 1 993 . 1 1 83 83 ARG CB C 13 27.811 0.19 . . . . . A 83 ARG CB . 25428 1 994 . 1 1 83 83 ARG CG C 13 24.192 0.19 . . . . . A 83 ARG CG . 25428 1 995 . 1 1 83 83 ARG CD C 13 40.580 0.19 . . . . . A 83 ARG CD . 25428 1 996 . 1 1 83 83 ARG N N 15 119.552 0.14 . . . . . A 83 ARG N . 25428 1 997 . 1 1 84 84 GLU H H 1 8.010 0.008 . . . . . A 84 GLU H . 25428 1 998 . 1 1 84 84 GLU HA H 1 4.133 0.008 . . . . . A 84 GLU HA . 25428 1 999 . 1 1 84 84 GLU HB2 H 1 1.817 0.008 . . . . . A 84 GLU HB2 . 25428 1 1000 . 1 1 84 84 GLU HB3 H 1 1.953 0.008 . . . . . A 84 GLU HB3 . 25428 1 1001 . 1 1 84 84 GLU HG2 H 1 2.169 0.008 . . . . . A 84 GLU HG2 . 25428 1 1002 . 1 1 84 84 GLU HG3 H 1 2.109 0.008 . . . . . A 84 GLU HG3 . 25428 1 1003 . 1 1 84 84 GLU CA C 13 53.838 0.19 . . . . . A 84 GLU CA . 25428 1 1004 . 1 1 84 84 GLU CB C 13 27.445 0.19 . . . . . A 84 GLU CB . 25428 1 1005 . 1 1 84 84 GLU CG C 13 33.334 0.19 . . . . . A 84 GLU CG . 25428 1 1006 . 1 1 84 84 GLU N N 15 121.362 0.14 . . . . . A 84 GLU N . 25428 1 1007 . 1 1 85 85 LYS H H 1 7.724 0.008 . . . . . A 85 LYS H . 25428 1 1008 . 1 1 85 85 LYS HA H 1 4.057 0.008 . . . . . A 85 LYS HA . 25428 1 1009 . 1 1 85 85 LYS HB2 H 1 1.719 0.008 . . . . . A 85 LYS HB2 . 25428 1 1010 . 1 1 85 85 LYS HB3 H 1 1.620 0.008 . . . . . A 85 LYS HB3 . 25428 1 1011 . 1 1 85 85 LYS HG2 H 1 1.802 0.008 . . . . . A 85 LYS HG2 . 25428 1 1012 . 1 1 85 85 LYS HG3 H 1 1.659 0.008 . . . . . A 85 LYS HG3 . 25428 1 1013 . 1 1 85 85 LYS HD2 H 1 1.890 0.008 . . . . . A 85 LYS HD2 . 25428 1 1014 . 1 1 85 85 LYS HD3 H 1 1.852 0.008 . . . . . A 85 LYS HD3 . 25428 1 1015 . 1 1 85 85 LYS HE2 H 1 3.021 0.008 . . . . . A 85 LYS HE2 . 25428 1 1016 . 1 1 85 85 LYS HE3 H 1 3.021 0.008 . . . . . A 85 LYS HE3 . 25428 1 1017 . 1 1 85 85 LYS CA C 13 55.126 0.19 . . . . . A 85 LYS CA . 25428 1 1018 . 1 1 85 85 LYS CB C 13 30.709 0.19 . . . . . A 85 LYS CB . 25428 1 1019 . 1 1 85 85 LYS CG C 13 24.953 0.19 . . . . . A 85 LYS CG . 25428 1 1020 . 1 1 85 85 LYS CD C 13 27.722 0.19 . . . . . A 85 LYS CD . 25428 1 1021 . 1 1 85 85 LYS CE C 13 40.454 0.19 . . . . . A 85 LYS CE . 25428 1 1022 . 1 1 85 85 LYS N N 15 126.682 0.14 . . . . . A 85 LYS N . 25428 1 stop_ save_