data_25819 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25819 _Entry.Title ; Solution Structure of Leptospiral LigA4 Big Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-19 _Entry.Accession_date 2015-10-19 _Entry.Last_release_date 2015-10-19 _Entry.Original_release_date 2015-10-19 _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 'NMR, 20 STRUCTURES' _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 Song Mei . . . . 25819 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25819 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PDZ . 25819 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25819 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 25819 '15N chemical shifts' 100 25819 '1H chemical shifts' 457 25819 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 . . 2016-07-22 2015-09-17 update BMRB 'update entry citation' 25819 1 . . 2015-10-19 2015-09-17 original author 'original release' 25819 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N7S 'BMRB Entry Tracking System' 25819 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25819 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26449456 _Citation.Full_citation . _Citation.Title ; Solution Structure of Leptospiral LigA4 Big Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 467 _Citation.Journal_issue 2 _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 288 _Citation.Page_last 292 _Citation.Year 2015 _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 Song Mei . . . . 25819 1 2 Jiahai Zhang . . . . 25819 1 3 Xuecheng Zhang . . . . 25819 1 4 Xiaoming Tu . . . . 25819 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25819 _Assembly.ID 1 _Assembly.Name 'Leptospiral LigA4 Big Domain' _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 . . . 25819 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25819 _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 ; MPAALVSISVSPTNSTVAKG LQENFKATGIFTDNSNSDIT DQVTWDSSNTDILSISNASD SHGLASTLNQGNVKVTASIG GIQGSTDFKVTQ ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9481.341 _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 . MET . 25819 1 2 . PRO . 25819 1 3 . ALA . 25819 1 4 . ALA . 25819 1 5 . LEU . 25819 1 6 . VAL . 25819 1 7 . SER . 25819 1 8 . ILE . 25819 1 9 . SER . 25819 1 10 . VAL . 25819 1 11 . SER . 25819 1 12 . PRO . 25819 1 13 . THR . 25819 1 14 . ASN . 25819 1 15 . SER . 25819 1 16 . THR . 25819 1 17 . VAL . 25819 1 18 . ALA . 25819 1 19 . LYS . 25819 1 20 . GLY . 25819 1 21 . LEU . 25819 1 22 . GLN . 25819 1 23 . GLU . 25819 1 24 . ASN . 25819 1 25 . PHE . 25819 1 26 . LYS . 25819 1 27 . ALA . 25819 1 28 . THR . 25819 1 29 . GLY . 25819 1 30 . ILE . 25819 1 31 . PHE . 25819 1 32 . THR . 25819 1 33 . ASP . 25819 1 34 . ASN . 25819 1 35 . SER . 25819 1 36 . ASN . 25819 1 37 . SER . 25819 1 38 . ASP . 25819 1 39 . ILE . 25819 1 40 . THR . 25819 1 41 . ASP . 25819 1 42 . GLN . 25819 1 43 . VAL . 25819 1 44 . THR . 25819 1 45 . TRP . 25819 1 46 . ASP . 25819 1 47 . SER . 25819 1 48 . SER . 25819 1 49 . ASN . 25819 1 50 . THR . 25819 1 51 . ASP . 25819 1 52 . ILE . 25819 1 53 . LEU . 25819 1 54 . SER . 25819 1 55 . ILE . 25819 1 56 . SER . 25819 1 57 . ASN . 25819 1 58 . ALA . 25819 1 59 . SER . 25819 1 60 . ASP . 25819 1 61 . SER . 25819 1 62 . HIS . 25819 1 63 . GLY . 25819 1 64 . LEU . 25819 1 65 . ALA . 25819 1 66 . SER . 25819 1 67 . THR . 25819 1 68 . LEU . 25819 1 69 . ASN . 25819 1 70 . GLN . 25819 1 71 . GLY . 25819 1 72 . ASN . 25819 1 73 . VAL . 25819 1 74 . LYS . 25819 1 75 . VAL . 25819 1 76 . THR . 25819 1 77 . ALA . 25819 1 78 . SER . 25819 1 79 . ILE . 25819 1 80 . GLY . 25819 1 81 . GLY . 25819 1 82 . ILE . 25819 1 83 . GLN . 25819 1 84 . GLY . 25819 1 85 . SER . 25819 1 86 . THR . 25819 1 87 . ASP . 25819 1 88 . PHE . 25819 1 89 . LYS . 25819 1 90 . VAL . 25819 1 91 . THR . 25819 1 92 . GLN . 25819 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 . MET 1 1 25819 1 . PRO 2 2 25819 1 . ALA 3 3 25819 1 . ALA 4 4 25819 1 . LEU 5 5 25819 1 . VAL 6 6 25819 1 . SER 7 7 25819 1 . ILE 8 8 25819 1 . SER 9 9 25819 1 . VAL 10 10 25819 1 . SER 11 11 25819 1 . PRO 12 12 25819 1 . THR 13 13 25819 1 . ASN 14 14 25819 1 . SER 15 15 25819 1 . THR 16 16 25819 1 . VAL 17 17 25819 1 . ALA 18 18 25819 1 . LYS 19 19 25819 1 . GLY 20 20 25819 1 . LEU 21 21 25819 1 . GLN 22 22 25819 1 . GLU 23 23 25819 1 . ASN 24 24 25819 1 . PHE 25 25 25819 1 . LYS 26 26 25819 1 . ALA 27 27 25819 1 . THR 28 28 25819 1 . GLY 29 29 25819 1 . ILE 30 30 25819 1 . PHE 31 31 25819 1 . THR 32 32 25819 1 . ASP 33 33 25819 1 . ASN 34 34 25819 1 . SER 35 35 25819 1 . ASN 36 36 25819 1 . SER 37 37 25819 1 . ASP 38 38 25819 1 . ILE 39 39 25819 1 . THR 40 40 25819 1 . ASP 41 41 25819 1 . GLN 42 42 25819 1 . VAL 43 43 25819 1 . THR 44 44 25819 1 . TRP 45 45 25819 1 . ASP 46 46 25819 1 . SER 47 47 25819 1 . SER 48 48 25819 1 . ASN 49 49 25819 1 . THR 50 50 25819 1 . ASP 51 51 25819 1 . ILE 52 52 25819 1 . LEU 53 53 25819 1 . SER 54 54 25819 1 . ILE 55 55 25819 1 . SER 56 56 25819 1 . ASN 57 57 25819 1 . ALA 58 58 25819 1 . SER 59 59 25819 1 . ASP 60 60 25819 1 . SER 61 61 25819 1 . HIS 62 62 25819 1 . GLY 63 63 25819 1 . LEU 64 64 25819 1 . ALA 65 65 25819 1 . SER 66 66 25819 1 . THR 67 67 25819 1 . LEU 68 68 25819 1 . ASN 69 69 25819 1 . GLN 70 70 25819 1 . GLY 71 71 25819 1 . ASN 72 72 25819 1 . VAL 73 73 25819 1 . LYS 74 74 25819 1 . VAL 75 75 25819 1 . THR 76 76 25819 1 . ALA 77 77 25819 1 . SER 78 78 25819 1 . ILE 79 79 25819 1 . GLY 80 80 25819 1 . GLY 81 81 25819 1 . ILE 82 82 25819 1 . GLN 83 83 25819 1 . GLY 84 84 25819 1 . SER 85 85 25819 1 . THR 86 86 25819 1 . ASP 87 87 25819 1 . PHE 88 88 25819 1 . LYS 89 89 25819 1 . VAL 90 90 25819 1 . THR 91 91 25819 1 . GLN 92 92 25819 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 25819 _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 . 171 organism . leptospira Leptospira . . Bacteria . Leptospira . . . . . . . . . . . . . . 25819 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 25819 _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 . . . . . . pet22 . . . 25819 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25819 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 25819 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25819 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 25819 _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' 0.1 . M 25819 1 pH 6.5 . pH 25819 1 pressure 1 . atm 25819 1 temperature 293 . K 25819 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25819 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25819 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25819 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 25819 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25819 _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 AMX . 600 . . . 25819 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 25819 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25819 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 25819 _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 internal direct 0.25144953 . . . . . 25819 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 25819 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal direct . . . . . . 25819 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 25819 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25819 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 2 2 PRO HA H 1 4.277 0.02 . . . . . A 2 PRO HA . 25819 1 2 . 1 1 2 2 PRO HB2 H 1 1.962 0.02 . . . . . A 2 PRO HB2 . 25819 1 3 . 1 1 2 2 PRO HB3 H 1 2.325 0.02 . . . . . A 2 PRO HB3 . 25819 1 4 . 1 1 2 2 PRO HD2 H 1 3.333 0.02 . . . . . A 2 PRO HD2 . 25819 1 5 . 1 1 2 2 PRO CA C 13 61.221 0.2 . . . . . A 2 PRO CA . 25819 1 6 . 1 1 2 2 PRO CB C 13 31.416 0.2 . . . . . A 2 PRO CB . 25819 1 7 . 1 1 2 2 PRO CG C 13 25.544 0.2 . . . . . A 2 PRO CG . 25819 1 8 . 1 1 2 2 PRO CD C 13 48.549 0.2 . . . . . A 2 PRO CD . 25819 1 9 . 1 1 3 3 ALA H H 1 8.647 0.02 . . . . . A 3 ALA H . 25819 1 10 . 1 1 3 3 ALA HA H 1 4.206 0.02 . . . . . A 3 ALA HA . 25819 1 11 . 1 1 3 3 ALA HB1 H 1 1.367 0.02 . . . . . A 3 ALA HB1 . 25819 1 12 . 1 1 3 3 ALA HB2 H 1 1.367 0.02 . . . . . A 3 ALA HB2 . 25819 1 13 . 1 1 3 3 ALA HB3 H 1 1.367 0.02 . . . . . A 3 ALA HB3 . 25819 1 14 . 1 1 3 3 ALA CA C 13 51.395 0.2 . . . . . A 3 ALA CA . 25819 1 15 . 1 1 3 3 ALA CB C 13 18.840 0.2 . . . . . A 3 ALA CB . 25819 1 16 . 1 1 3 3 ALA N N 15 123.804 0.2 . . . . . A 3 ALA N . 25819 1 17 . 1 1 4 4 ALA H H 1 8.239 0.02 . . . . . A 4 ALA H . 25819 1 18 . 1 1 4 4 ALA HA H 1 4.709 0.02 . . . . . A 4 ALA HA . 25819 1 19 . 1 1 4 4 ALA HB1 H 1 1.420 0.02 . . . . . A 4 ALA HB1 . 25819 1 20 . 1 1 4 4 ALA HB2 H 1 1.420 0.02 . . . . . A 4 ALA HB2 . 25819 1 21 . 1 1 4 4 ALA HB3 H 1 1.420 0.02 . . . . . A 4 ALA HB3 . 25819 1 22 . 1 1 4 4 ALA CA C 13 50.022 0.2 . . . . . A 4 ALA CA . 25819 1 23 . 1 1 4 4 ALA CB C 13 19.897 0.2 . . . . . A 4 ALA CB . 25819 1 24 . 1 1 4 4 ALA N N 15 124.058 0.2 . . . . . A 4 ALA N . 25819 1 25 . 1 1 5 5 LEU H H 1 8.560 0.02 . . . . . A 5 LEU H . 25819 1 26 . 1 1 5 5 LEU HA H 1 3.372 0.02 . . . . . A 5 LEU HA . 25819 1 27 . 1 1 5 5 LEU HB2 H 1 1.433 0.02 . . . . . A 5 LEU HB2 . 25819 1 28 . 1 1 5 5 LEU HB3 H 1 1.101 0.02 . . . . . A 5 LEU HB3 . 25819 1 29 . 1 1 5 5 LEU HD11 H 1 0.455 0.02 . . . . . A 5 LEU HD11 . 25819 1 30 . 1 1 5 5 LEU HD12 H 1 0.455 0.02 . . . . . A 5 LEU HD12 . 25819 1 31 . 1 1 5 5 LEU HD13 H 1 0.455 0.02 . . . . . A 5 LEU HD13 . 25819 1 32 . 1 1 5 5 LEU HD21 H 1 0.142 0.02 . . . . . A 5 LEU HD21 . 25819 1 33 . 1 1 5 5 LEU HD22 H 1 0.142 0.02 . . . . . A 5 LEU HD22 . 25819 1 34 . 1 1 5 5 LEU HD23 H 1 0.142 0.02 . . . . . A 5 LEU HD23 . 25819 1 35 . 1 1 5 5 LEU CA C 13 55.008 0.2 . . . . . A 5 LEU CA . 25819 1 36 . 1 1 5 5 LEU CB C 13 41.242 0.2 . . . . . A 5 LEU CB . 25819 1 37 . 1 1 5 5 LEU CG C 13 25.759 0.2 . . . . . A 5 LEU CG . 25819 1 38 . 1 1 5 5 LEU CD2 C 13 22.343 0.2 . . . . . A 5 LEU CD2 . 25819 1 39 . 1 1 5 5 LEU N N 15 124.018 0.2 . . . . . A 5 LEU N . 25819 1 40 . 1 1 6 6 VAL H H 1 9.119 0.02 . . . . . A 6 VAL H . 25819 1 41 . 1 1 6 6 VAL HA H 1 4.097 0.02 . . . . . A 6 VAL HA . 25819 1 42 . 1 1 6 6 VAL HB H 1 1.734 0.02 . . . . . A 6 VAL HB . 25819 1 43 . 1 1 6 6 VAL HG11 H 1 0.801 0.02 . . . . . A 6 VAL HG11 . 25819 1 44 . 1 1 6 6 VAL HG12 H 1 0.801 0.02 . . . . . A 6 VAL HG12 . 25819 1 45 . 1 1 6 6 VAL HG13 H 1 0.801 0.02 . . . . . A 6 VAL HG13 . 25819 1 46 . 1 1 6 6 VAL CA C 13 62.340 0.2 . . . . . A 6 VAL CA . 25819 1 47 . 1 1 6 6 VAL CB C 13 32.948 0.2 . . . . . A 6 VAL CB . 25819 1 48 . 1 1 6 6 VAL N N 15 123.357 0.2 . . . . . A 6 VAL N . 25819 1 49 . 1 1 7 7 SER H H 1 7.680 0.02 . . . . . A 7 SER H . 25819 1 50 . 1 1 7 7 SER HA H 1 4.445 0.02 . . . . . A 7 SER HA . 25819 1 51 . 1 1 7 7 SER HB2 H 1 3.756 0.02 . . . . . A 7 SER HB2 . 25819 1 52 . 1 1 7 7 SER HB3 H 1 3.663 0.02 . . . . . A 7 SER HB3 . 25819 1 53 . 1 1 7 7 SER CA C 13 56.349 0.2 . . . . . A 7 SER CA . 25819 1 54 . 1 1 7 7 SER CB C 13 64.361 0.2 . . . . . A 7 SER CB . 25819 1 55 . 1 1 7 7 SER N N 15 112.137 0.2 . . . . . A 7 SER N . 25819 1 56 . 1 1 8 8 ILE H H 1 8.354 0.02 . . . . . A 8 ILE H . 25819 1 57 . 1 1 8 8 ILE HA H 1 4.673 0.02 . . . . . A 8 ILE HA . 25819 1 58 . 1 1 8 8 ILE HB H 1 1.047 0.02 . . . . . A 8 ILE HB . 25819 1 59 . 1 1 8 8 ILE HG21 H 1 0.427 0.02 . . . . . A 8 ILE HG21 . 25819 1 60 . 1 1 8 8 ILE HG22 H 1 0.427 0.02 . . . . . A 8 ILE HG22 . 25819 1 61 . 1 1 8 8 ILE HG23 H 1 0.427 0.02 . . . . . A 8 ILE HG23 . 25819 1 62 . 1 1 8 8 ILE CA C 13 59.146 0.2 . . . . . A 8 ILE CA . 25819 1 63 . 1 1 8 8 ILE CB C 13 41.674 0.2 . . . . . A 8 ILE CB . 25819 1 64 . 1 1 8 8 ILE CG1 C 13 26.840 0.2 . . . . . A 8 ILE CG1 . 25819 1 65 . 1 1 8 8 ILE CG2 C 13 16.818 0.2 . . . . . A 8 ILE CG2 . 25819 1 66 . 1 1 8 8 ILE CD1 C 13 13.267 0.2 . . . . . A 8 ILE CD1 . 25819 1 67 . 1 1 8 8 ILE N N 15 118.674 0.2 . . . . . A 8 ILE N . 25819 1 68 . 1 1 9 9 SER H H 1 9.028 0.02 . . . . . A 9 SER H . 25819 1 69 . 1 1 9 9 SER HA H 1 4.863 0.02 . . . . . A 9 SER HA . 25819 1 70 . 1 1 9 9 SER HB2 H 1 3.734 0.02 . . . . . A 9 SER HB2 . 25819 1 71 . 1 1 9 9 SER CA C 13 55.381 0.2 . . . . . A 9 SER CA . 25819 1 72 . 1 1 9 9 SER CB C 13 64.243 0.2 . . . . . A 9 SER CB . 25819 1 73 . 1 1 9 9 SER N N 15 121.319 0.2 . . . . . A 9 SER N . 25819 1 74 . 1 1 10 10 VAL H H 1 8.911 0.02 . . . . . A 10 VAL H . 25819 1 75 . 1 1 10 10 VAL HA H 1 5.050 0.02 . . . . . A 10 VAL HA . 25819 1 76 . 1 1 10 10 VAL HB H 1 1.683 0.02 . . . . . A 10 VAL HB . 25819 1 77 . 1 1 10 10 VAL HG11 H 1 1.195 0.02 . . . . . A 10 VAL HG11 . 25819 1 78 . 1 1 10 10 VAL HG12 H 1 1.195 0.02 . . . . . A 10 VAL HG12 . 25819 1 79 . 1 1 10 10 VAL HG13 H 1 1.195 0.02 . . . . . A 10 VAL HG13 . 25819 1 80 . 1 1 10 10 VAL HG21 H 1 0.776 0.02 . . . . . A 10 VAL HG21 . 25819 1 81 . 1 1 10 10 VAL HG22 H 1 0.776 0.02 . . . . . A 10 VAL HG22 . 25819 1 82 . 1 1 10 10 VAL HG23 H 1 0.776 0.02 . . . . . A 10 VAL HG23 . 25819 1 83 . 1 1 10 10 VAL CA C 13 60.912 0.2 . . . . . A 10 VAL CA . 25819 1 84 . 1 1 10 10 VAL CB C 13 33.387 0.2 . . . . . A 10 VAL CB . 25819 1 85 . 1 1 10 10 VAL N N 15 127.509 0.2 . . . . . A 10 VAL N . 25819 1 86 . 1 1 11 11 SER H H 1 9.206 0.02 . . . . . A 11 SER H . 25819 1 87 . 1 1 11 11 SER CB C 13 64.373 0.2 . . . . . A 11 SER CB . 25819 1 88 . 1 1 11 11 SER N N 15 121.860 0.2 . . . . . A 11 SER N . 25819 1 89 . 1 1 12 12 PRO HA H 1 4.704 0.02 . . . . . A 12 PRO HA . 25819 1 90 . 1 1 12 12 PRO HB2 H 1 2.024 0.02 . . . . . A 12 PRO HB2 . 25819 1 91 . 1 1 12 12 PRO HB3 H 1 2.360 0.02 . . . . . A 12 PRO HB3 . 25819 1 92 . 1 1 12 12 PRO HG2 H 1 1.536 0.02 . . . . . A 12 PRO HG2 . 25819 1 93 . 1 1 12 12 PRO HD2 H 1 3.109 0.02 . . . . . A 12 PRO HD2 . 25819 1 94 . 1 1 12 12 PRO HD3 H 1 2.953 0.02 . . . . . A 12 PRO HD3 . 25819 1 95 . 1 1 12 12 PRO CA C 13 60.899 0.2 . . . . . A 12 PRO CA . 25819 1 96 . 1 1 12 12 PRO CB C 13 34.089 0.2 . . . . . A 12 PRO CB . 25819 1 97 . 1 1 12 12 PRO CD C 13 49.649 0.2 . . . . . A 12 PRO CD . 25819 1 98 . 1 1 13 13 THR H H 1 8.679 0.02 . . . . . A 13 THR H . 25819 1 99 . 1 1 13 13 THR HA H 1 4.770 0.02 . . . . . A 13 THR HA . 25819 1 100 . 1 1 13 13 THR HB H 1 4.105 0.02 . . . . . A 13 THR HB . 25819 1 101 . 1 1 13 13 THR HG21 H 1 1.364 0.02 . . . . . A 13 THR HG21 . 25819 1 102 . 1 1 13 13 THR HG22 H 1 1.364 0.02 . . . . . A 13 THR HG22 . 25819 1 103 . 1 1 13 13 THR HG23 H 1 1.364 0.02 . . . . . A 13 THR HG23 . 25819 1 104 . 1 1 13 13 THR CA C 13 60.153 0.2 . . . . . A 13 THR CA . 25819 1 105 . 1 1 13 13 THR CB C 13 69.426 0.2 . . . . . A 13 THR CB . 25819 1 106 . 1 1 13 13 THR CG2 C 13 21.271 0.2 . . . . . A 13 THR CG2 . 25819 1 107 . 1 1 13 13 THR N N 15 116.137 0.2 . . . . . A 13 THR N . 25819 1 108 . 1 1 14 14 ASN H H 1 8.710 0.02 . . . . . A 14 ASN H . 25819 1 109 . 1 1 14 14 ASN HA H 1 4.695 0.02 . . . . . A 14 ASN HA . 25819 1 110 . 1 1 14 14 ASN HB2 H 1 2.990 0.02 . . . . . A 14 ASN HB2 . 25819 1 111 . 1 1 14 14 ASN HB3 H 1 2.732 0.02 . . . . . A 14 ASN HB3 . 25819 1 112 . 1 1 14 14 ASN CA C 13 53.128 0.2 . . . . . A 14 ASN CA . 25819 1 113 . 1 1 14 14 ASN CB C 13 36.593 0.2 . . . . . A 14 ASN CB . 25819 1 114 . 1 1 14 14 ASN N N 15 124.457 0.2 . . . . . A 14 ASN N . 25819 1 115 . 1 1 15 15 SER H H 1 9.127 0.02 . . . . . A 15 SER H . 25819 1 116 . 1 1 15 15 SER HA H 1 4.648 0.02 . . . . . A 15 SER HA . 25819 1 117 . 1 1 15 15 SER HB2 H 1 3.950 0.02 . . . . . A 15 SER HB2 . 25819 1 118 . 1 1 15 15 SER HB3 H 1 3.642 0.02 . . . . . A 15 SER HB3 . 25819 1 119 . 1 1 15 15 SER CA C 13 55.644 0.2 . . . . . A 15 SER CA . 25819 1 120 . 1 1 15 15 SER CB C 13 63.953 0.2 . . . . . A 15 SER CB . 25819 1 121 . 1 1 15 15 SER N N 15 113.673 0.2 . . . . . A 15 SER N . 25819 1 122 . 1 1 16 16 THR H H 1 7.962 0.02 . . . . . A 16 THR H . 25819 1 123 . 1 1 16 16 THR HA H 1 4.976 0.02 . . . . . A 16 THR HA . 25819 1 124 . 1 1 16 16 THR HB H 1 3.820 0.02 . . . . . A 16 THR HB . 25819 1 125 . 1 1 16 16 THR HG21 H 1 0.957 0.02 . . . . . A 16 THR HG21 . 25819 1 126 . 1 1 16 16 THR HG22 H 1 0.957 0.02 . . . . . A 16 THR HG22 . 25819 1 127 . 1 1 16 16 THR HG23 H 1 0.957 0.02 . . . . . A 16 THR HG23 . 25819 1 128 . 1 1 16 16 THR CA C 13 58.445 0.2 . . . . . A 16 THR CA . 25819 1 129 . 1 1 16 16 THR CB C 13 70.534 0.2 . . . . . A 16 THR CB . 25819 1 130 . 1 1 16 16 THR CG2 C 13 19.693 0.2 . . . . . A 16 THR CG2 . 25819 1 131 . 1 1 16 16 THR N N 15 113.579 0.2 . . . . . A 16 THR N . 25819 1 132 . 1 1 17 17 VAL H H 1 7.969 0.02 . . . . . A 17 VAL H . 25819 1 133 . 1 1 17 17 VAL HA H 1 4.320 0.02 . . . . . A 17 VAL HA . 25819 1 134 . 1 1 17 17 VAL HB H 1 2.102 0.02 . . . . . A 17 VAL HB . 25819 1 135 . 1 1 17 17 VAL HG11 H 1 0.982 0.02 . . . . . A 17 VAL HG11 . 25819 1 136 . 1 1 17 17 VAL HG12 H 1 0.982 0.02 . . . . . A 17 VAL HG12 . 25819 1 137 . 1 1 17 17 VAL HG13 H 1 0.982 0.02 . . . . . A 17 VAL HG13 . 25819 1 138 . 1 1 17 17 VAL CA C 13 59.937 0.2 . . . . . A 17 VAL CA . 25819 1 139 . 1 1 17 17 VAL CB C 13 35.404 0.2 . . . . . A 17 VAL CB . 25819 1 140 . 1 1 17 17 VAL N N 15 121.479 0.2 . . . . . A 17 VAL N . 25819 1 141 . 1 1 18 18 ALA H H 1 7.756 0.02 . . . . . A 18 ALA H . 25819 1 142 . 1 1 18 18 ALA HA H 1 4.175 0.02 . . . . . A 18 ALA HA . 25819 1 143 . 1 1 18 18 ALA HB1 H 1 1.241 0.02 . . . . . A 18 ALA HB1 . 25819 1 144 . 1 1 18 18 ALA HB2 H 1 1.241 0.02 . . . . . A 18 ALA HB2 . 25819 1 145 . 1 1 18 18 ALA HB3 H 1 1.241 0.02 . . . . . A 18 ALA HB3 . 25819 1 146 . 1 1 18 18 ALA CA C 13 50.963 0.2 . . . . . A 18 ALA CA . 25819 1 147 . 1 1 18 18 ALA CB C 13 18.922 0.2 . . . . . A 18 ALA CB . 25819 1 148 . 1 1 18 18 ALA N N 15 126.014 0.2 . . . . . A 18 ALA N . 25819 1 149 . 1 1 19 19 LYS H H 1 7.892 0.02 . . . . . A 19 LYS H . 25819 1 150 . 1 1 19 19 LYS HA H 1 3.487 0.02 . . . . . A 19 LYS HA . 25819 1 151 . 1 1 19 19 LYS HB3 H 1 1.578 0.02 . . . . . A 19 LYS HB3 . 25819 1 152 . 1 1 19 19 LYS HG2 H 1 1.038 0.02 . . . . . A 19 LYS HG2 . 25819 1 153 . 1 1 19 19 LYS HE2 H 1 2.989 0.02 . . . . . A 19 LYS HE2 . 25819 1 154 . 1 1 19 19 LYS CA C 13 57.772 0.2 . . . . . A 19 LYS CA . 25819 1 155 . 1 1 19 19 LYS CB C 13 31.602 0.2 . . . . . A 19 LYS CB . 25819 1 156 . 1 1 19 19 LYS CG C 13 23.547 0.2 . . . . . A 19 LYS CG . 25819 1 157 . 1 1 19 19 LYS CD C 13 29.252 0.2 . . . . . A 19 LYS CD . 25819 1 158 . 1 1 19 19 LYS CE C 13 41.079 0.2 . . . . . A 19 LYS CE . 25819 1 159 . 1 1 19 19 LYS N N 15 119.741 0.2 . . . . . A 19 LYS N . 25819 1 160 . 1 1 20 20 GLY H H 1 8.615 0.02 . . . . . A 20 GLY H . 25819 1 161 . 1 1 20 20 GLY HA2 H 1 4.407 0.02 . . . . . A 20 GLY HA2 . 25819 1 162 . 1 1 20 20 GLY HA3 H 1 3.582 0.02 . . . . . A 20 GLY HA3 . 25819 1 163 . 1 1 20 20 GLY CA C 13 43.763 0.2 . . . . . A 20 GLY CA . 25819 1 164 . 1 1 20 20 GLY N N 15 116.709 0.2 . . . . . A 20 GLY N . 25819 1 165 . 1 1 21 21 LEU H H 1 8.013 0.02 . . . . . A 21 LEU H . 25819 1 166 . 1 1 21 21 LEU HA H 1 4.588 0.02 . . . . . A 21 LEU HA . 25819 1 167 . 1 1 21 21 LEU HB2 H 1 2.009 0.02 . . . . . A 21 LEU HB2 . 25819 1 168 . 1 1 21 21 LEU HB3 H 1 1.584 0.02 . . . . . A 21 LEU HB3 . 25819 1 169 . 1 1 21 21 LEU HD11 H 1 0.854 0.02 . . . . . A 21 LEU HD11 . 25819 1 170 . 1 1 21 21 LEU HD12 H 1 0.854 0.02 . . . . . A 21 LEU HD12 . 25819 1 171 . 1 1 21 21 LEU HD13 H 1 0.854 0.02 . . . . . A 21 LEU HD13 . 25819 1 172 . 1 1 21 21 LEU CA C 13 53.365 0.2 . . . . . A 21 LEU CA . 25819 1 173 . 1 1 21 21 LEU CB C 13 40.962 0.2 . . . . . A 21 LEU CB . 25819 1 174 . 1 1 21 21 LEU CG C 13 26.550 0.2 . . . . . A 21 LEU CG . 25819 1 175 . 1 1 21 21 LEU CD1 C 13 24.743 0.2 . . . . . A 21 LEU CD1 . 25819 1 176 . 1 1 21 21 LEU CD2 C 13 21.897 0.2 . . . . . A 21 LEU CD2 . 25819 1 177 . 1 1 21 21 LEU N N 15 123.004 0.2 . . . . . A 21 LEU N . 25819 1 178 . 1 1 22 22 GLN H H 1 8.223 0.02 . . . . . A 22 GLN H . 25819 1 179 . 1 1 22 22 GLN HA H 1 5.128 0.02 . . . . . A 22 GLN HA . 25819 1 180 . 1 1 22 22 GLN HB2 H 1 1.897 0.02 . . . . . A 22 GLN HB2 . 25819 1 181 . 1 1 22 22 GLN HG2 H 1 2.380 0.02 . . . . . A 22 GLN HG2 . 25819 1 182 . 1 1 22 22 GLN HE22 H 1 7.262 0.02 . . . . . A 22 GLN HE22 . 25819 1 183 . 1 1 22 22 GLN CA C 13 53.669 0.2 . . . . . A 22 GLN CA . 25819 1 184 . 1 1 22 22 GLN CB C 13 30.914 0.2 . . . . . A 22 GLN CB . 25819 1 185 . 1 1 22 22 GLN CG C 13 34.355 0.2 . . . . . A 22 GLN CG . 25819 1 186 . 1 1 22 22 GLN N N 15 117.503 0.2 . . . . . A 22 GLN N . 25819 1 187 . 1 1 22 22 GLN NE2 N 15 112.169 0.2 . . . . . A 22 GLN NE2 . 25819 1 188 . 1 1 23 23 GLU H H 1 8.188 0.02 . . . . . A 23 GLU H . 25819 1 189 . 1 1 23 23 GLU HA H 1 4.563 0.02 . . . . . A 23 GLU HA . 25819 1 190 . 1 1 23 23 GLU HB2 H 1 1.668 0.02 . . . . . A 23 GLU HB2 . 25819 1 191 . 1 1 23 23 GLU CA C 13 52.867 0.2 . . . . . A 23 GLU CA . 25819 1 192 . 1 1 23 23 GLU CB C 13 32.874 0.2 . . . . . A 23 GLU CB . 25819 1 193 . 1 1 23 23 GLU N N 15 118.126 0.2 . . . . . A 23 GLU N . 25819 1 194 . 1 1 24 24 ASN H H 1 9.390 0.02 . . . . . A 24 ASN H . 25819 1 195 . 1 1 24 24 ASN HA H 1 4.778 0.02 . . . . . A 24 ASN HA . 25819 1 196 . 1 1 24 24 ASN HB3 H 1 2.287 0.02 . . . . . A 24 ASN HB3 . 25819 1 197 . 1 1 24 24 ASN HD22 H 1 7.590 0.02 . . . . . A 24 ASN HD22 . 25819 1 198 . 1 1 24 24 ASN CA C 13 52.511 0.2 . . . . . A 24 ASN CA . 25819 1 199 . 1 1 24 24 ASN CB C 13 39.746 0.2 . . . . . A 24 ASN CB . 25819 1 200 . 1 1 24 24 ASN N N 15 125.841 0.2 . . . . . A 24 ASN N . 25819 1 201 . 1 1 24 24 ASN ND2 N 15 111.503 0.2 . . . . . A 24 ASN ND2 . 25819 1 202 . 1 1 25 25 PHE H H 1 8.061 0.02 . . . . . A 25 PHE H . 25819 1 203 . 1 1 25 25 PHE HA H 1 4.651 0.02 . . . . . A 25 PHE HA . 25819 1 204 . 1 1 25 25 PHE HB2 H 1 2.270 0.02 . . . . . A 25 PHE HB2 . 25819 1 205 . 1 1 25 25 PHE HB3 H 1 1.626 0.02 . . . . . A 25 PHE HB3 . 25819 1 206 . 1 1 25 25 PHE CA C 13 57.123 0.2 . . . . . A 25 PHE CA . 25819 1 207 . 1 1 25 25 PHE CB C 13 39.059 0.2 . . . . . A 25 PHE CB . 25819 1 208 . 1 1 25 25 PHE N N 15 122.824 0.2 . . . . . A 25 PHE N . 25819 1 209 . 1 1 26 26 LYS H H 1 9.255 0.02 . . . . . A 26 LYS H . 25819 1 210 . 1 1 26 26 LYS HA H 1 5.244 0.02 . . . . . A 26 LYS HA . 25819 1 211 . 1 1 26 26 LYS HB2 H 1 1.590 0.02 . . . . . A 26 LYS HB2 . 25819 1 212 . 1 1 26 26 LYS HG2 H 1 1.258 0.02 . . . . . A 26 LYS HG2 . 25819 1 213 . 1 1 26 26 LYS HE2 H 1 2.856 0.02 . . . . . A 26 LYS HE2 . 25819 1 214 . 1 1 26 26 LYS HE3 H 1 2.750 0.02 . . . . . A 26 LYS HE3 . 25819 1 215 . 1 1 26 26 LYS CA C 13 52.976 0.2 . . . . . A 26 LYS CA . 25819 1 216 . 1 1 26 26 LYS CB C 13 34.661 0.2 . . . . . A 26 LYS CB . 25819 1 217 . 1 1 26 26 LYS CG C 13 23.778 0.2 . . . . . A 26 LYS CG . 25819 1 218 . 1 1 26 26 LYS CD C 13 28.089 0.2 . . . . . A 26 LYS CD . 25819 1 219 . 1 1 26 26 LYS CE C 13 41.234 0.2 . . . . . A 26 LYS CE . 25819 1 220 . 1 1 26 26 LYS N N 15 119.114 0.2 . . . . . A 26 LYS N . 25819 1 221 . 1 1 27 27 ALA H H 1 9.120 0.02 . . . . . A 27 ALA H . 25819 1 222 . 1 1 27 27 ALA HA H 1 5.262 0.02 . . . . . A 27 ALA HA . 25819 1 223 . 1 1 27 27 ALA HB1 H 1 0.928 0.02 . . . . . A 27 ALA HB1 . 25819 1 224 . 1 1 27 27 ALA HB2 H 1 0.928 0.02 . . . . . A 27 ALA HB2 . 25819 1 225 . 1 1 27 27 ALA HB3 H 1 0.928 0.02 . . . . . A 27 ALA HB3 . 25819 1 226 . 1 1 27 27 ALA CA C 13 48.817 0.2 . . . . . A 27 ALA CA . 25819 1 227 . 1 1 27 27 ALA CB C 13 21.160 0.2 . . . . . A 27 ALA CB . 25819 1 228 . 1 1 27 27 ALA N N 15 125.583 0.2 . . . . . A 27 ALA N . 25819 1 229 . 1 1 28 28 THR H H 1 9.062 0.02 . . . . . A 28 THR H . 25819 1 230 . 1 1 28 28 THR HA H 1 4.837 0.02 . . . . . A 28 THR HA . 25819 1 231 . 1 1 28 28 THR HB H 1 3.893 0.02 . . . . . A 28 THR HB . 25819 1 232 . 1 1 28 28 THR CA C 13 60.566 0.2 . . . . . A 28 THR CA . 25819 1 233 . 1 1 28 28 THR CB C 13 69.478 0.2 . . . . . A 28 THR CB . 25819 1 234 . 1 1 28 28 THR CG2 C 13 20.296 0.2 . . . . . A 28 THR CG2 . 25819 1 235 . 1 1 29 29 GLY H H 1 9.662 0.02 . . . . . A 29 GLY H . 25819 1 236 . 1 1 29 29 GLY HA2 H 1 4.193 0.02 . . . . . A 29 GLY HA2 . 25819 1 237 . 1 1 29 29 GLY HA3 H 1 3.812 0.02 . . . . . A 29 GLY HA3 . 25819 1 238 . 1 1 29 29 GLY CA C 13 44.316 0.2 . . . . . A 29 GLY CA . 25819 1 239 . 1 1 29 29 GLY N N 15 115.789 0.2 . . . . . A 29 GLY N . 25819 1 240 . 1 1 30 30 ILE H H 1 7.914 0.02 . . . . . A 30 ILE H . 25819 1 241 . 1 1 30 30 ILE HA H 1 4.778 0.02 . . . . . A 30 ILE HA . 25819 1 242 . 1 1 30 30 ILE HB H 1 1.715 0.02 . . . . . A 30 ILE HB . 25819 1 243 . 1 1 30 30 ILE HG12 H 1 1.295 0.02 . . . . . A 30 ILE HG12 . 25819 1 244 . 1 1 30 30 ILE HG13 H 1 1.064 0.02 . . . . . A 30 ILE HG13 . 25819 1 245 . 1 1 30 30 ILE HG21 H 1 1.061 0.02 . . . . . A 30 ILE HG21 . 25819 1 246 . 1 1 30 30 ILE HG22 H 1 1.061 0.02 . . . . . A 30 ILE HG22 . 25819 1 247 . 1 1 30 30 ILE HG23 H 1 0.850 0.02 . . . . . A 30 ILE HG23 . 25819 1 248 . 1 1 30 30 ILE HD11 H 1 0.688 0.02 . . . . . A 30 ILE HD11 . 25819 1 249 . 1 1 30 30 ILE HD12 H 1 0.688 0.02 . . . . . A 30 ILE HD12 . 25819 1 250 . 1 1 30 30 ILE HD13 H 1 0.688 0.02 . . . . . A 30 ILE HD13 . 25819 1 251 . 1 1 30 30 ILE CA C 13 59.388 0.2 . . . . . A 30 ILE CA . 25819 1 252 . 1 1 30 30 ILE CB C 13 36.883 0.2 . . . . . A 30 ILE CB . 25819 1 253 . 1 1 30 30 ILE CG1 C 13 27.294 0.2 . . . . . A 30 ILE CG1 . 25819 1 254 . 1 1 30 30 ILE CG2 C 13 17.181 0.2 . . . . . A 30 ILE CG2 . 25819 1 255 . 1 1 30 30 ILE CD1 C 13 12.365 0.2 . . . . . A 30 ILE CD1 . 25819 1 256 . 1 1 30 30 ILE N N 15 123.084 0.2 . . . . . A 30 ILE N . 25819 1 257 . 1 1 31 31 PHE H H 1 8.316 0.02 . . . . . A 31 PHE H . 25819 1 258 . 1 1 31 31 PHE HA H 1 5.370 0.02 . . . . . A 31 PHE HA . 25819 1 259 . 1 1 31 31 PHE HB2 H 1 3.109 0.02 . . . . . A 31 PHE HB2 . 25819 1 260 . 1 1 31 31 PHE HB3 H 1 2.807 0.02 . . . . . A 31 PHE HB3 . 25819 1 261 . 1 1 31 31 PHE CA C 13 56.487 0.2 . . . . . A 31 PHE CA . 25819 1 262 . 1 1 31 31 PHE CB C 13 41.153 0.2 . . . . . A 31 PHE CB . 25819 1 263 . 1 1 31 31 PHE N N 15 125.209 0.2 . . . . . A 31 PHE N . 25819 1 264 . 1 1 32 32 THR H H 1 9.335 0.02 . . . . . A 32 THR H . 25819 1 265 . 1 1 32 32 THR HA H 1 4.404 0.02 . . . . . A 32 THR HA . 25819 1 266 . 1 1 32 32 THR HB H 1 3.966 0.02 . . . . . A 32 THR HB . 25819 1 267 . 1 1 32 32 THR HG21 H 1 1.315 0.02 . . . . . A 32 THR HG21 . 25819 1 268 . 1 1 32 32 THR HG22 H 1 1.315 0.02 . . . . . A 32 THR HG22 . 25819 1 269 . 1 1 32 32 THR HG23 H 1 1.315 0.02 . . . . . A 32 THR HG23 . 25819 1 270 . 1 1 32 32 THR CA C 13 64.157 0.2 . . . . . A 32 THR CA . 25819 1 271 . 1 1 32 32 THR CB C 13 68.540 0.2 . . . . . A 32 THR CB . 25819 1 272 . 1 1 32 32 THR CG2 C 13 23.066 0.2 . . . . . A 32 THR CG2 . 25819 1 273 . 1 1 32 32 THR N N 15 113.842 0.2 . . . . . A 32 THR N . 25819 1 274 . 1 1 33 33 ASP H H 1 7.689 0.02 . . . . . A 33 ASP H . 25819 1 275 . 1 1 33 33 ASP HA H 1 4.621 0.02 . . . . . A 33 ASP HA . 25819 1 276 . 1 1 33 33 ASP HB2 H 1 3.067 0.02 . . . . . A 33 ASP HB2 . 25819 1 277 . 1 1 33 33 ASP HB3 H 1 2.492 0.02 . . . . . A 33 ASP HB3 . 25819 1 278 . 1 1 33 33 ASP CA C 13 51.963 0.2 . . . . . A 33 ASP CA . 25819 1 279 . 1 1 33 33 ASP CB C 13 38.494 0.2 . . . . . A 33 ASP CB . 25819 1 280 . 1 1 33 33 ASP N N 15 118.799 0.2 . . . . . A 33 ASP N . 25819 1 281 . 1 1 34 34 ASN H H 1 8.370 0.02 . . . . . A 34 ASN H . 25819 1 282 . 1 1 34 34 ASN HA H 1 4.348 0.02 . . . . . A 34 ASN HA . 25819 1 283 . 1 1 34 34 ASN HB2 H 1 3.084 0.02 . . . . . A 34 ASN HB2 . 25819 1 284 . 1 1 34 34 ASN HD21 H 1 6.886 0.02 . . . . . A 34 ASN HD21 . 25819 1 285 . 1 1 34 34 ASN CA C 13 54.346 0.2 . . . . . A 34 ASN CA . 25819 1 286 . 1 1 34 34 ASN CB C 13 36.490 0.2 . . . . . A 34 ASN CB . 25819 1 287 . 1 1 34 34 ASN N N 15 112.993 0.2 . . . . . A 34 ASN N . 25819 1 288 . 1 1 34 34 ASN ND2 N 15 113.099 0.2 . . . . . A 34 ASN ND2 . 25819 1 289 . 1 1 35 35 SER H H 1 7.990 0.02 . . . . . A 35 SER H . 25819 1 290 . 1 1 35 35 SER HA H 1 4.413 0.02 . . . . . A 35 SER HA . 25819 1 291 . 1 1 35 35 SER HB2 H 1 3.892 0.02 . . . . . A 35 SER HB2 . 25819 1 292 . 1 1 35 35 SER HB3 H 1 3.775 0.02 . . . . . A 35 SER HB3 . 25819 1 293 . 1 1 35 35 SER CA C 13 57.882 0.2 . . . . . A 35 SER CA . 25819 1 294 . 1 1 35 35 SER CB C 13 63.770 0.2 . . . . . A 35 SER CB . 25819 1 295 . 1 1 35 35 SER N N 15 115.543 0.2 . . . . . A 35 SER N . 25819 1 296 . 1 1 36 36 ASN H H 1 8.518 0.02 . . . . . A 36 ASN H . 25819 1 297 . 1 1 36 36 ASN HD21 H 1 6.972 0.02 . . . . . A 36 ASN HD21 . 25819 1 298 . 1 1 36 36 ASN CA C 13 50.674 0.2 . . . . . A 36 ASN CA . 25819 1 299 . 1 1 36 36 ASN CB C 13 41.799 0.2 . . . . . A 36 ASN CB . 25819 1 300 . 1 1 36 36 ASN N N 15 116.051 0.2 . . . . . A 36 ASN N . 25819 1 301 . 1 1 36 36 ASN ND2 N 15 113.473 0.2 . . . . . A 36 ASN ND2 . 25819 1 302 . 1 1 37 37 SER H H 1 8.667 0.02 . . . . . A 37 SER H . 25819 1 303 . 1 1 37 37 SER HA H 1 4.715 0.02 . . . . . A 37 SER HA . 25819 1 304 . 1 1 37 37 SER HB2 H 1 3.707 0.02 . . . . . A 37 SER HB2 . 25819 1 305 . 1 1 37 37 SER HB3 H 1 3.379 0.02 . . . . . A 37 SER HB3 . 25819 1 306 . 1 1 37 37 SER CA C 13 56.801 0.2 . . . . . A 37 SER CA . 25819 1 307 . 1 1 37 37 SER CB C 13 64.872 0.2 . . . . . A 37 SER CB . 25819 1 308 . 1 1 37 37 SER N N 15 113.191 0.2 . . . . . A 37 SER N . 25819 1 309 . 1 1 38 38 ASP H H 1 8.848 0.02 . . . . . A 38 ASP H . 25819 1 310 . 1 1 38 38 ASP HA H 1 4.987 0.02 . . . . . A 38 ASP HA . 25819 1 311 . 1 1 38 38 ASP HB2 H 1 2.936 0.02 . . . . . A 38 ASP HB2 . 25819 1 312 . 1 1 38 38 ASP HB3 H 1 2.678 0.02 . . . . . A 38 ASP HB3 . 25819 1 313 . 1 1 38 38 ASP CA C 13 54.201 0.2 . . . . . A 38 ASP CA . 25819 1 314 . 1 1 38 38 ASP CB C 13 39.929 0.2 . . . . . A 38 ASP CB . 25819 1 315 . 1 1 38 38 ASP N N 15 123.961 0.2 . . . . . A 38 ASP N . 25819 1 316 . 1 1 39 39 ILE H H 1 8.815 0.02 . . . . . A 39 ILE H . 25819 1 317 . 1 1 39 39 ILE HA H 1 4.871 0.02 . . . . . A 39 ILE HA . 25819 1 318 . 1 1 39 39 ILE HB H 1 2.101 0.02 . . . . . A 39 ILE HB . 25819 1 319 . 1 1 39 39 ILE HG12 H 1 0.898 0.02 . . . . . A 39 ILE HG12 . 25819 1 320 . 1 1 39 39 ILE HD11 H 1 0.461 0.02 . . . . . A 39 ILE HD11 . 25819 1 321 . 1 1 39 39 ILE HD12 H 1 0.461 0.02 . . . . . A 39 ILE HD12 . 25819 1 322 . 1 1 39 39 ILE HD13 H 1 0.461 0.02 . . . . . A 39 ILE HD13 . 25819 1 323 . 1 1 39 39 ILE CA C 13 59.707 0.2 . . . . . A 39 ILE CA . 25819 1 324 . 1 1 39 39 ILE CB C 13 37.086 0.2 . . . . . A 39 ILE CB . 25819 1 325 . 1 1 39 39 ILE CD1 C 13 14.096 0.2 . . . . . A 39 ILE CD1 . 25819 1 326 . 1 1 39 39 ILE N N 15 121.217 0.2 . . . . . A 39 ILE N . 25819 1 327 . 1 1 40 40 THR H H 1 8.679 0.02 . . . . . A 40 THR H . 25819 1 328 . 1 1 40 40 THR HA H 1 4.288 0.02 . . . . . A 40 THR HA . 25819 1 329 . 1 1 40 40 THR HB H 1 3.884 0.02 . . . . . A 40 THR HB . 25819 1 330 . 1 1 40 40 THR HG21 H 1 1.579 0.02 . . . . . A 40 THR HG21 . 25819 1 331 . 1 1 40 40 THR HG22 H 1 1.579 0.02 . . . . . A 40 THR HG22 . 25819 1 332 . 1 1 40 40 THR HG23 H 1 1.579 0.02 . . . . . A 40 THR HG23 . 25819 1 333 . 1 1 40 40 THR CB C 13 68.527 0.2 . . . . . A 40 THR CB . 25819 1 334 . 1 1 40 40 THR N N 15 122.868 0.2 . . . . . A 40 THR N . 25819 1 335 . 1 1 41 41 ASP H H 1 8.539 0.02 . . . . . A 41 ASP H . 25819 1 336 . 1 1 41 41 ASP HA H 1 3.698 0.02 . . . . . A 41 ASP HA . 25819 1 337 . 1 1 41 41 ASP HB2 H 1 2.348 0.02 . . . . . A 41 ASP HB2 . 25819 1 338 . 1 1 41 41 ASP CA C 13 53.478 0.2 . . . . . A 41 ASP CA . 25819 1 339 . 1 1 41 41 ASP CB C 13 38.718 0.2 . . . . . A 41 ASP CB . 25819 1 340 . 1 1 41 41 ASP N N 15 114.082 0.2 . . . . . A 41 ASP N . 25819 1 341 . 1 1 42 42 GLN H H 1 7.718 0.02 . . . . . A 42 GLN H . 25819 1 342 . 1 1 42 42 GLN HA H 1 4.151 0.02 . . . . . A 42 GLN HA . 25819 1 343 . 1 1 42 42 GLN HB3 H 1 1.776 0.02 . . . . . A 42 GLN HB3 . 25819 1 344 . 1 1 42 42 GLN HG2 H 1 2.232 0.02 . . . . . A 42 GLN HG2 . 25819 1 345 . 1 1 42 42 GLN HG3 H 1 2.119 0.02 . . . . . A 42 GLN HG3 . 25819 1 346 . 1 1 42 42 GLN HE21 H 1 6.774 0.02 . . . . . A 42 GLN HE21 . 25819 1 347 . 1 1 42 42 GLN CA C 13 55.536 0.2 . . . . . A 42 GLN CA . 25819 1 348 . 1 1 42 42 GLN CB C 13 30.216 0.2 . . . . . A 42 GLN CB . 25819 1 349 . 1 1 42 42 GLN CG C 13 33.253 0.2 . . . . . A 42 GLN CG . 25819 1 350 . 1 1 42 42 GLN N N 15 117.086 0.2 . . . . . A 42 GLN N . 25819 1 351 . 1 1 42 42 GLN NE2 N 15 112.195 0.2 . . . . . A 42 GLN NE2 . 25819 1 352 . 1 1 43 43 VAL H H 1 6.902 0.02 . . . . . A 43 VAL H . 25819 1 353 . 1 1 43 43 VAL HA H 1 4.089 0.02 . . . . . A 43 VAL HA . 25819 1 354 . 1 1 43 43 VAL HB H 1 1.438 0.02 . . . . . A 43 VAL HB . 25819 1 355 . 1 1 43 43 VAL HG21 H 1 0.430 0.02 . . . . . A 43 VAL HG21 . 25819 1 356 . 1 1 43 43 VAL HG22 H 1 0.430 0.02 . . . . . A 43 VAL HG22 . 25819 1 357 . 1 1 43 43 VAL HG23 H 1 0.430 0.02 . . . . . A 43 VAL HG23 . 25819 1 358 . 1 1 43 43 VAL CA C 13 58.840 0.2 . . . . . A 43 VAL CA . 25819 1 359 . 1 1 43 43 VAL CB C 13 31.273 0.2 . . . . . A 43 VAL CB . 25819 1 360 . 1 1 43 43 VAL CG1 C 13 20.364 0.2 . . . . . A 43 VAL CG1 . 25819 1 361 . 1 1 43 43 VAL N N 15 109.916 0.2 . . . . . A 43 VAL N . 25819 1 362 . 1 1 44 44 THR H H 1 8.787 0.02 . . . . . A 44 THR H . 25819 1 363 . 1 1 44 44 THR HA H 1 4.315 0.02 . . . . . A 44 THR HA . 25819 1 364 . 1 1 44 44 THR HB H 1 3.810 0.02 . . . . . A 44 THR HB . 25819 1 365 . 1 1 44 44 THR HG21 H 1 1.098 0.02 . . . . . A 44 THR HG21 . 25819 1 366 . 1 1 44 44 THR HG22 H 1 1.098 0.02 . . . . . A 44 THR HG22 . 25819 1 367 . 1 1 44 44 THR HG23 H 1 1.098 0.02 . . . . . A 44 THR HG23 . 25819 1 368 . 1 1 44 44 THR CA C 13 61.651 0.2 . . . . . A 44 THR CA . 25819 1 369 . 1 1 44 44 THR CB C 13 68.890 0.2 . . . . . A 44 THR CB . 25819 1 370 . 1 1 44 44 THR CG2 C 13 20.626 0.2 . . . . . A 44 THR CG2 . 25819 1 371 . 1 1 44 44 THR N N 15 116.273 0.2 . . . . . A 44 THR N . 25819 1 372 . 1 1 45 45 TRP H H 1 10.351 0.02 . . . . . A 45 TRP H . 25819 1 373 . 1 1 45 45 TRP HA H 1 5.245 0.02 . . . . . A 45 TRP HA . 25819 1 374 . 1 1 45 45 TRP HB2 H 1 2.867 0.02 . . . . . A 45 TRP HB2 . 25819 1 375 . 1 1 45 45 TRP HB3 H 1 2.867 0.02 . . . . . A 45 TRP HB3 . 25819 1 376 . 1 1 45 45 TRP HE1 H 1 9.582 0.02 . . . . . A 45 TRP HE1 . 25819 1 377 . 1 1 45 45 TRP CA C 13 55.387 0.2 . . . . . A 45 TRP CA . 25819 1 378 . 1 1 45 45 TRP CB C 13 30.077 0.2 . . . . . A 45 TRP CB . 25819 1 379 . 1 1 45 45 TRP N N 15 132.098 0.2 . . . . . A 45 TRP N . 25819 1 380 . 1 1 45 45 TRP NE1 N 15 126.233 0.2 . . . . . A 45 TRP NE1 . 25819 1 381 . 1 1 46 46 ASP H H 1 9.471 0.02 . . . . . A 46 ASP H . 25819 1 382 . 1 1 46 46 ASP HA H 1 4.857 0.02 . . . . . A 46 ASP HA . 25819 1 383 . 1 1 46 46 ASP HB2 H 1 2.391 0.02 . . . . . A 46 ASP HB2 . 25819 1 384 . 1 1 46 46 ASP CA C 13 52.797 0.2 . . . . . A 46 ASP CA . 25819 1 385 . 1 1 46 46 ASP CB C 13 45.075 0.2 . . . . . A 46 ASP CB . 25819 1 386 . 1 1 46 46 ASP N N 15 121.897 0.2 . . . . . A 46 ASP N . 25819 1 387 . 1 1 47 47 SER H H 1 8.502 0.02 . . . . . A 47 SER H . 25819 1 388 . 1 1 47 47 SER HA H 1 5.043 0.02 . . . . . A 47 SER HA . 25819 1 389 . 1 1 47 47 SER HB2 H 1 3.613 0.02 . . . . . A 47 SER HB2 . 25819 1 390 . 1 1 47 47 SER HB3 H 1 3.420 0.02 . . . . . A 47 SER HB3 . 25819 1 391 . 1 1 47 47 SER CA C 13 53.059 0.2 . . . . . A 47 SER CA . 25819 1 392 . 1 1 47 47 SER CB C 13 64.880 0.2 . . . . . A 47 SER CB . 25819 1 393 . 1 1 47 47 SER N N 15 113.803 0.2 . . . . . A 47 SER N . 25819 1 394 . 1 1 48 48 SER H H 1 8.517 0.02 . . . . . A 48 SER H . 25819 1 395 . 1 1 48 48 SER HA H 1 4.264 0.02 . . . . . A 48 SER HA . 25819 1 396 . 1 1 48 48 SER HB2 H 1 3.933 0.02 . . . . . A 48 SER HB2 . 25819 1 397 . 1 1 48 48 SER CA C 13 59.404 0.2 . . . . . A 48 SER CA . 25819 1 398 . 1 1 48 48 SER CB C 13 62.026 0.2 . . . . . A 48 SER CB . 25819 1 399 . 1 1 48 48 SER N N 15 119.614 0.2 . . . . . A 48 SER N . 25819 1 400 . 1 1 49 49 ASN H H 1 7.816 0.02 . . . . . A 49 ASN H . 25819 1 401 . 1 1 49 49 ASN HA H 1 4.898 0.02 . . . . . A 49 ASN HA . 25819 1 402 . 1 1 49 49 ASN HB2 H 1 2.905 0.02 . . . . . A 49 ASN HB2 . 25819 1 403 . 1 1 49 49 ASN HB3 H 1 2.696 0.02 . . . . . A 49 ASN HB3 . 25819 1 404 . 1 1 49 49 ASN HD21 H 1 7.335 0.02 . . . . . A 49 ASN HD21 . 25819 1 405 . 1 1 49 49 ASN CA C 13 52.841 0.2 . . . . . A 49 ASN CA . 25819 1 406 . 1 1 49 49 ASN CB C 13 37.720 0.2 . . . . . A 49 ASN CB . 25819 1 407 . 1 1 49 49 ASN N N 15 118.259 0.2 . . . . . A 49 ASN N . 25819 1 408 . 1 1 49 49 ASN ND2 N 15 111.780 0.2 . . . . . A 49 ASN ND2 . 25819 1 409 . 1 1 50 50 THR H H 1 9.049 0.02 . . . . . A 50 THR H . 25819 1 410 . 1 1 50 50 THR HA H 1 4.541 0.02 . . . . . A 50 THR HA . 25819 1 411 . 1 1 50 50 THR HG21 H 1 1.424 0.02 . . . . . A 50 THR HG21 . 25819 1 412 . 1 1 50 50 THR HG22 H 1 1.424 0.02 . . . . . A 50 THR HG22 . 25819 1 413 . 1 1 50 50 THR HG23 H 1 1.424 0.02 . . . . . A 50 THR HG23 . 25819 1 414 . 1 1 50 50 THR CA C 13 62.137 0.2 . . . . . A 50 THR CA . 25819 1 415 . 1 1 50 50 THR CB C 13 67.100 0.2 . . . . . A 50 THR CB . 25819 1 416 . 1 1 50 50 THR CG2 C 13 21.071 0.2 . . . . . A 50 THR CG2 . 25819 1 417 . 1 1 50 50 THR N N 15 119.289 0.2 . . . . . A 50 THR N . 25819 1 418 . 1 1 51 51 ASP H H 1 8.251 0.02 . . . . . A 51 ASP H . 25819 1 419 . 1 1 51 51 ASP HA H 1 4.586 0.02 . . . . . A 51 ASP HA . 25819 1 420 . 1 1 51 51 ASP HB2 H 1 2.899 0.02 . . . . . A 51 ASP HB2 . 25819 1 421 . 1 1 51 51 ASP HB3 H 1 2.686 0.02 . . . . . A 51 ASP HB3 . 25819 1 422 . 1 1 51 51 ASP CA C 13 54.690 0.2 . . . . . A 51 ASP CA . 25819 1 423 . 1 1 51 51 ASP CB C 13 39.658 0.2 . . . . . A 51 ASP CB . 25819 1 424 . 1 1 51 51 ASP N N 15 118.825 0.2 . . . . . A 51 ASP N . 25819 1 425 . 1 1 52 52 ILE H H 1 7.169 0.02 . . . . . A 52 ILE H . 25819 1 426 . 1 1 52 52 ILE HA H 1 3.925 0.02 . . . . . A 52 ILE HA . 25819 1 427 . 1 1 52 52 ILE HB H 1 1.538 0.02 . . . . . A 52 ILE HB . 25819 1 428 . 1 1 52 52 ILE HG21 H 1 0.758 0.02 . . . . . A 52 ILE HG21 . 25819 1 429 . 1 1 52 52 ILE HG22 H 1 0.758 0.02 . . . . . A 52 ILE HG22 . 25819 1 430 . 1 1 52 52 ILE HG23 H 1 0.758 0.02 . . . . . A 52 ILE HG23 . 25819 1 431 . 1 1 52 52 ILE CA C 13 61.681 0.2 . . . . . A 52 ILE CA . 25819 1 432 . 1 1 52 52 ILE CB C 13 38.896 0.2 . . . . . A 52 ILE CB . 25819 1 433 . 1 1 52 52 ILE CG1 C 13 27.043 0.2 . . . . . A 52 ILE CG1 . 25819 1 434 . 1 1 52 52 ILE CG2 C 13 15.701 0.2 . . . . . A 52 ILE CG2 . 25819 1 435 . 1 1 52 52 ILE CD1 C 13 13.094 0.2 . . . . . A 52 ILE CD1 . 25819 1 436 . 1 1 52 52 ILE N N 15 118.411 0.2 . . . . . A 52 ILE N . 25819 1 437 . 1 1 53 53 LEU H H 1 7.876 0.02 . . . . . A 53 LEU H . 25819 1 438 . 1 1 53 53 LEU HA H 1 5.021 0.02 . . . . . A 53 LEU HA . 25819 1 439 . 1 1 53 53 LEU HB2 H 1 1.526 0.02 . . . . . A 53 LEU HB2 . 25819 1 440 . 1 1 53 53 LEU HB3 H 1 1.415 0.02 . . . . . A 53 LEU HB3 . 25819 1 441 . 1 1 53 53 LEU HD11 H 1 0.598 0.02 . . . . . A 53 LEU HD11 . 25819 1 442 . 1 1 53 53 LEU HD12 H 1 0.598 0.02 . . . . . A 53 LEU HD12 . 25819 1 443 . 1 1 53 53 LEU HD13 H 1 0.598 0.02 . . . . . A 53 LEU HD13 . 25819 1 444 . 1 1 53 53 LEU HD21 H 1 0.412 0.02 . . . . . A 53 LEU HD21 . 25819 1 445 . 1 1 53 53 LEU HD22 H 1 0.412 0.02 . . . . . A 53 LEU HD22 . 25819 1 446 . 1 1 53 53 LEU HD23 H 1 0.412 0.02 . . . . . A 53 LEU HD23 . 25819 1 447 . 1 1 53 53 LEU CA C 13 53.281 0.2 . . . . . A 53 LEU CA . 25819 1 448 . 1 1 53 53 LEU CB C 13 46.405 0.2 . . . . . A 53 LEU CB . 25819 1 449 . 1 1 53 53 LEU CG C 13 25.729 0.2 . . . . . A 53 LEU CG . 25819 1 450 . 1 1 53 53 LEU N N 15 120.128 0.2 . . . . . A 53 LEU N . 25819 1 451 . 1 1 54 54 SER H H 1 8.650 0.02 . . . . . A 54 SER H . 25819 1 452 . 1 1 54 54 SER HA H 1 4.959 0.02 . . . . . A 54 SER HA . 25819 1 453 . 1 1 54 54 SER HB2 H 1 3.887 0.02 . . . . . A 54 SER HB2 . 25819 1 454 . 1 1 54 54 SER HB3 H 1 3.666 0.02 . . . . . A 54 SER HB3 . 25819 1 455 . 1 1 54 54 SER CA C 13 54.724 0.2 . . . . . A 54 SER CA . 25819 1 456 . 1 1 54 54 SER CB C 13 64.417 0.2 . . . . . A 54 SER CB . 25819 1 457 . 1 1 54 54 SER N N 15 122.251 0.2 . . . . . A 54 SER N . 25819 1 458 . 1 1 55 55 ILE H H 1 9.082 0.02 . . . . . A 55 ILE H . 25819 1 459 . 1 1 55 55 ILE HA H 1 4.901 0.02 . . . . . A 55 ILE HA . 25819 1 460 . 1 1 55 55 ILE HB H 1 1.085 0.02 . . . . . A 55 ILE HB . 25819 1 461 . 1 1 55 55 ILE HG21 H 1 0.575 0.02 . . . . . A 55 ILE HG21 . 25819 1 462 . 1 1 55 55 ILE HG22 H 1 0.575 0.02 . . . . . A 55 ILE HG22 . 25819 1 463 . 1 1 55 55 ILE HG23 H 1 0.575 0.02 . . . . . A 55 ILE HG23 . 25819 1 464 . 1 1 55 55 ILE HD11 H 1 0.233 0.02 . . . . . A 55 ILE HD11 . 25819 1 465 . 1 1 55 55 ILE HD12 H 1 0.233 0.02 . . . . . A 55 ILE HD12 . 25819 1 466 . 1 1 55 55 ILE HD13 H 1 0.233 0.02 . . . . . A 55 ILE HD13 . 25819 1 467 . 1 1 55 55 ILE CA C 13 58.868 0.2 . . . . . A 55 ILE CA . 25819 1 468 . 1 1 55 55 ILE CB C 13 41.418 0.2 . . . . . A 55 ILE CB . 25819 1 469 . 1 1 55 55 ILE CD1 C 13 13.658 0.2 . . . . . A 55 ILE CD1 . 25819 1 470 . 1 1 55 55 ILE N N 15 123.973 0.2 . . . . . A 55 ILE N . 25819 1 471 . 1 1 56 56 SER H H 1 7.905 0.02 . . . . . A 56 SER H . 25819 1 472 . 1 1 56 56 SER HA H 1 4.387 0.02 . . . . . A 56 SER HA . 25819 1 473 . 1 1 56 56 SER HB2 H 1 3.761 0.02 . . . . . A 56 SER HB2 . 25819 1 474 . 1 1 56 56 SER CA C 13 56.626 0.2 . . . . . A 56 SER CA . 25819 1 475 . 1 1 56 56 SER CB C 13 63.106 0.2 . . . . . A 56 SER CB . 25819 1 476 . 1 1 56 56 SER N N 15 119.539 0.2 . . . . . A 56 SER N . 25819 1 477 . 1 1 57 57 ASN H H 1 8.945 0.02 . . . . . A 57 ASN H . 25819 1 478 . 1 1 57 57 ASN HA H 1 5.019 0.02 . . . . . A 57 ASN HA . 25819 1 479 . 1 1 57 57 ASN HB2 H 1 3.325 0.02 . . . . . A 57 ASN HB2 . 25819 1 480 . 1 1 57 57 ASN HB3 H 1 2.509 0.02 . . . . . A 57 ASN HB3 . 25819 1 481 . 1 1 57 57 ASN HD21 H 1 8.064 0.02 . . . . . A 57 ASN HD21 . 25819 1 482 . 1 1 57 57 ASN CA C 13 52.469 0.2 . . . . . A 57 ASN CA . 25819 1 483 . 1 1 57 57 ASN CB C 13 40.090 0.2 . . . . . A 57 ASN CB . 25819 1 484 . 1 1 57 57 ASN N N 15 124.209 0.2 . . . . . A 57 ASN N . 25819 1 485 . 1 1 57 57 ASN ND2 N 15 118.051 0.2 . . . . . A 57 ASN ND2 . 25819 1 486 . 1 1 58 58 ALA H H 1 8.150 0.02 . . . . . A 58 ALA H . 25819 1 487 . 1 1 58 58 ALA HA H 1 4.133 0.02 . . . . . A 58 ALA HA . 25819 1 488 . 1 1 58 58 ALA HB1 H 1 1.306 0.02 . . . . . A 58 ALA HB1 . 25819 1 489 . 1 1 58 58 ALA HB2 H 1 1.306 0.02 . . . . . A 58 ALA HB2 . 25819 1 490 . 1 1 58 58 ALA HB3 H 1 1.306 0.02 . . . . . A 58 ALA HB3 . 25819 1 491 . 1 1 58 58 ALA CA C 13 51.287 0.2 . . . . . A 58 ALA CA . 25819 1 492 . 1 1 58 58 ALA CB C 13 18.354 0.2 . . . . . A 58 ALA CB . 25819 1 493 . 1 1 58 58 ALA N N 15 124.300 0.2 . . . . . A 58 ALA N . 25819 1 494 . 1 1 59 59 SER H H 1 8.377 0.02 . . . . . A 59 SER H . 25819 1 495 . 1 1 59 59 SER HA H 1 4.698 0.02 . . . . . A 59 SER HA . 25819 1 496 . 1 1 59 59 SER HB2 H 1 3.904 0.02 . . . . . A 59 SER HB2 . 25819 1 497 . 1 1 59 59 SER CA C 13 60.003 0.2 . . . . . A 59 SER CA . 25819 1 498 . 1 1 59 59 SER CB C 13 62.574 0.2 . . . . . A 59 SER CB . 25819 1 499 . 1 1 59 59 SER N N 15 113.299 0.2 . . . . . A 59 SER N . 25819 1 500 . 1 1 60 60 ASP H H 1 8.311 0.02 . . . . . A 60 ASP H . 25819 1 501 . 1 1 60 60 ASP HA H 1 4.662 0.02 . . . . . A 60 ASP HA . 25819 1 502 . 1 1 60 60 ASP HB2 H 1 2.858 0.02 . . . . . A 60 ASP HB2 . 25819 1 503 . 1 1 60 60 ASP HB3 H 1 2.652 0.02 . . . . . A 60 ASP HB3 . 25819 1 504 . 1 1 60 60 ASP CA C 13 52.759 0.2 . . . . . A 60 ASP CA . 25819 1 505 . 1 1 60 60 ASP CB C 13 39.712 0.2 . . . . . A 60 ASP CB . 25819 1 506 . 1 1 60 60 ASP N N 15 116.275 0.2 . . . . . A 60 ASP N . 25819 1 507 . 1 1 61 61 SER H H 1 7.588 0.02 . . . . . A 61 SER H . 25819 1 508 . 1 1 61 61 SER HA H 1 4.630 0.02 . . . . . A 61 SER HA . 25819 1 509 . 1 1 61 61 SER HB2 H 1 4.011 0.02 . . . . . A 61 SER HB2 . 25819 1 510 . 1 1 61 61 SER HB3 H 1 3.537 0.02 . . . . . A 61 SER HB3 . 25819 1 511 . 1 1 61 61 SER CA C 13 56.180 0.2 . . . . . A 61 SER CA . 25819 1 512 . 1 1 61 61 SER CB C 13 61.843 0.2 . . . . . A 61 SER CB . 25819 1 513 . 1 1 61 61 SER N N 15 112.649 0.2 . . . . . A 61 SER N . 25819 1 514 . 1 1 62 62 HIS H H 1 8.030 0.02 . . . . . A 62 HIS H . 25819 1 515 . 1 1 62 62 HIS HA H 1 4.047 0.02 . . . . . A 62 HIS HA . 25819 1 516 . 1 1 62 62 HIS HB2 H 1 3.636 0.02 . . . . . A 62 HIS HB2 . 25819 1 517 . 1 1 62 62 HIS HB3 H 1 3.391 0.02 . . . . . A 62 HIS HB3 . 25819 1 518 . 1 1 62 62 HIS CA C 13 56.919 0.2 . . . . . A 62 HIS CA . 25819 1 519 . 1 1 62 62 HIS CB C 13 27.524 0.2 . . . . . A 62 HIS CB . 25819 1 520 . 1 1 62 62 HIS N N 15 119.790 0.2 . . . . . A 62 HIS N . 25819 1 521 . 1 1 63 63 GLY H H 1 8.733 0.02 . . . . . A 63 GLY H . 25819 1 522 . 1 1 63 63 GLY HA2 H 1 3.251 0.02 . . . . . A 63 GLY HA2 . 25819 1 523 . 1 1 63 63 GLY CA C 13 43.653 0.2 . . . . . A 63 GLY CA . 25819 1 524 . 1 1 63 63 GLY N N 15 113.301 0.2 . . . . . A 63 GLY N . 25819 1 525 . 1 1 64 64 LEU H H 1 7.679 0.02 . . . . . A 64 LEU H . 25819 1 526 . 1 1 64 64 LEU HA H 1 4.386 0.02 . . . . . A 64 LEU HA . 25819 1 527 . 1 1 64 64 LEU HB2 H 1 1.921 0.02 . . . . . A 64 LEU HB2 . 25819 1 528 . 1 1 64 64 LEU HD11 H 1 0.817 0.02 . . . . . A 64 LEU HD11 . 25819 1 529 . 1 1 64 64 LEU HD12 H 1 0.817 0.02 . . . . . A 64 LEU HD12 . 25819 1 530 . 1 1 64 64 LEU HD13 H 1 0.817 0.02 . . . . . A 64 LEU HD13 . 25819 1 531 . 1 1 64 64 LEU HD21 H 1 0.669 0.02 . . . . . A 64 LEU HD21 . 25819 1 532 . 1 1 64 64 LEU HD22 H 1 0.669 0.02 . . . . . A 64 LEU HD22 . 25819 1 533 . 1 1 64 64 LEU HD23 H 1 0.669 0.02 . . . . . A 64 LEU HD23 . 25819 1 534 . 1 1 64 64 LEU CA C 13 54.893 0.2 . . . . . A 64 LEU CA . 25819 1 535 . 1 1 64 64 LEU CB C 13 41.463 0.2 . . . . . A 64 LEU CB . 25819 1 536 . 1 1 64 64 LEU CG C 13 25.281 0.2 . . . . . A 64 LEU CG . 25819 1 537 . 1 1 64 64 LEU CD2 C 13 21.974 0.2 . . . . . A 64 LEU CD2 . 25819 1 538 . 1 1 64 64 LEU N N 15 120.664 0.2 . . . . . A 64 LEU N . 25819 1 539 . 1 1 65 65 ALA H H 1 9.874 0.02 . . . . . A 65 ALA H . 25819 1 540 . 1 1 65 65 ALA HA H 1 5.402 0.02 . . . . . A 65 ALA HA . 25819 1 541 . 1 1 65 65 ALA HB1 H 1 1.259 0.02 . . . . . A 65 ALA HB1 . 25819 1 542 . 1 1 65 65 ALA HB2 H 1 1.259 0.02 . . . . . A 65 ALA HB2 . 25819 1 543 . 1 1 65 65 ALA HB3 H 1 1.259 0.02 . . . . . A 65 ALA HB3 . 25819 1 544 . 1 1 65 65 ALA CA C 13 49.267 0.2 . . . . . A 65 ALA CA . 25819 1 545 . 1 1 65 65 ALA CB C 13 21.555 0.2 . . . . . A 65 ALA CB . 25819 1 546 . 1 1 66 66 SER H H 1 8.938 0.02 . . . . . A 66 SER H . 25819 1 547 . 1 1 66 66 SER HA H 1 4.909 0.02 . . . . . A 66 SER HA . 25819 1 548 . 1 1 66 66 SER HB2 H 1 3.776 0.02 . . . . . A 66 SER HB2 . 25819 1 549 . 1 1 66 66 SER HB3 H 1 3.626 0.02 . . . . . A 66 SER HB3 . 25819 1 550 . 1 1 66 66 SER CA C 13 56.645 0.2 . . . . . A 66 SER CA . 25819 1 551 . 1 1 66 66 SER CB C 13 63.823 0.2 . . . . . A 66 SER CB . 25819 1 552 . 1 1 66 66 SER N N 15 115.951 0.2 . . . . . A 66 SER N . 25819 1 553 . 1 1 67 67 THR H H 1 8.258 0.02 . . . . . A 67 THR H . 25819 1 554 . 1 1 67 67 THR HA H 1 4.649 0.02 . . . . . A 67 THR HA . 25819 1 555 . 1 1 67 67 THR HB H 1 4.238 0.02 . . . . . A 67 THR HB . 25819 1 556 . 1 1 67 67 THR HG21 H 1 1.216 0.02 . . . . . A 67 THR HG21 . 25819 1 557 . 1 1 67 67 THR HG22 H 1 1.216 0.02 . . . . . A 67 THR HG22 . 25819 1 558 . 1 1 67 67 THR HG23 H 1 1.216 0.02 . . . . . A 67 THR HG23 . 25819 1 559 . 1 1 67 67 THR CA C 13 59.216 0.2 . . . . . A 67 THR CA . 25819 1 560 . 1 1 67 67 THR CB C 13 69.006 0.2 . . . . . A 67 THR CB . 25819 1 561 . 1 1 67 67 THR CG2 C 13 21.646 0.2 . . . . . A 67 THR CG2 . 25819 1 562 . 1 1 67 67 THR N N 15 113.595 0.2 . . . . . A 67 THR N . 25819 1 563 . 1 1 68 68 LEU H H 1 8.616 0.02 . . . . . A 68 LEU H . 25819 1 564 . 1 1 68 68 LEU HA H 1 4.356 0.02 . . . . . A 68 LEU HA . 25819 1 565 . 1 1 68 68 LEU HB2 H 1 1.450 0.02 . . . . . A 68 LEU HB2 . 25819 1 566 . 1 1 68 68 LEU HD11 H 1 0.748 0.02 . . . . . A 68 LEU HD11 . 25819 1 567 . 1 1 68 68 LEU HD12 H 1 0.748 0.02 . . . . . A 68 LEU HD12 . 25819 1 568 . 1 1 68 68 LEU HD13 H 1 0.748 0.02 . . . . . A 68 LEU HD13 . 25819 1 569 . 1 1 68 68 LEU CA C 13 55.112 0.2 . . . . . A 68 LEU CA . 25819 1 570 . 1 1 68 68 LEU CB C 13 42.915 0.2 . . . . . A 68 LEU CB . 25819 1 571 . 1 1 68 68 LEU CG C 13 26.431 0.2 . . . . . A 68 LEU CG . 25819 1 572 . 1 1 68 68 LEU CD1 C 13 24.311 0.2 . . . . . A 68 LEU CD1 . 25819 1 573 . 1 1 68 68 LEU CD2 C 13 22.583 0.2 . . . . . A 68 LEU CD2 . 25819 1 574 . 1 1 68 68 LEU N N 15 124.152 0.2 . . . . . A 68 LEU N . 25819 1 575 . 1 1 69 69 ASN H H 1 7.965 0.02 . . . . . A 69 ASN H . 25819 1 576 . 1 1 69 69 ASN HA H 1 4.644 0.02 . . . . . A 69 ASN HA . 25819 1 577 . 1 1 69 69 ASN HB2 H 1 2.695 0.02 . . . . . A 69 ASN HB2 . 25819 1 578 . 1 1 69 69 ASN HB3 H 1 2.620 0.02 . . . . . A 69 ASN HB3 . 25819 1 579 . 1 1 69 69 ASN HD22 H 1 7.824 0.02 . . . . . A 69 ASN HD22 . 25819 1 580 . 1 1 69 69 ASN CA C 13 51.456 0.2 . . . . . A 69 ASN CA . 25819 1 581 . 1 1 69 69 ASN CB C 13 42.306 0.2 . . . . . A 69 ASN CB . 25819 1 582 . 1 1 69 69 ASN N N 15 115.821 0.2 . . . . . A 69 ASN N . 25819 1 583 . 1 1 69 69 ASN ND2 N 15 114.728 0.2 . . . . . A 69 ASN ND2 . 25819 1 584 . 1 1 70 70 GLN H H 1 8.287 0.02 . . . . . A 70 GLN H . 25819 1 585 . 1 1 70 70 GLN HA H 1 3.925 0.02 . . . . . A 70 GLN HA . 25819 1 586 . 1 1 70 70 GLN HB2 H 1 1.904 0.02 . . . . . A 70 GLN HB2 . 25819 1 587 . 1 1 70 70 GLN HG2 H 1 2.210 0.02 . . . . . A 70 GLN HG2 . 25819 1 588 . 1 1 70 70 GLN HE22 H 1 7.536 0.02 . . . . . A 70 GLN HE22 . 25819 1 589 . 1 1 70 70 GLN CA C 13 55.237 0.2 . . . . . A 70 GLN CA . 25819 1 590 . 1 1 70 70 GLN CB C 13 29.006 0.2 . . . . . A 70 GLN CB . 25819 1 591 . 1 1 70 70 GLN CG C 13 33.233 0.2 . . . . . A 70 GLN CG . 25819 1 592 . 1 1 70 70 GLN N N 15 114.564 0.2 . . . . . A 70 GLN N . 25819 1 593 . 1 1 70 70 GLN NE2 N 15 111.694 0.2 . . . . . A 70 GLN NE2 . 25819 1 594 . 1 1 71 71 GLY H H 1 8.520 0.02 . . . . . A 71 GLY H . 25819 1 595 . 1 1 71 71 GLY HA2 H 1 4.510 0.02 . . . . . A 71 GLY HA2 . 25819 1 596 . 1 1 71 71 GLY HA3 H 1 3.762 0.02 . . . . . A 71 GLY HA3 . 25819 1 597 . 1 1 71 71 GLY CA C 13 43.686 0.2 . . . . . A 71 GLY CA . 25819 1 598 . 1 1 71 71 GLY N N 15 108.006 0.2 . . . . . A 71 GLY N . 25819 1 599 . 1 1 72 72 ASN H H 1 8.420 0.02 . . . . . A 72 ASN H . 25819 1 600 . 1 1 72 72 ASN HA H 1 5.473 0.02 . . . . . A 72 ASN HA . 25819 1 601 . 1 1 72 72 ASN HB2 H 1 2.752 0.02 . . . . . A 72 ASN HB2 . 25819 1 602 . 1 1 72 72 ASN HB3 H 1 2.604 0.02 . . . . . A 72 ASN HB3 . 25819 1 603 . 1 1 72 72 ASN HD21 H 1 6.840 0.02 . . . . . A 72 ASN HD21 . 25819 1 604 . 1 1 72 72 ASN CA C 13 51.691 0.2 . . . . . A 72 ASN CA . 25819 1 605 . 1 1 72 72 ASN CB C 13 39.896 0.2 . . . . . A 72 ASN CB . 25819 1 606 . 1 1 72 72 ASN N N 15 117.784 0.2 . . . . . A 72 ASN N . 25819 1 607 . 1 1 72 72 ASN ND2 N 15 113.025 0.2 . . . . . A 72 ASN ND2 . 25819 1 608 . 1 1 73 73 VAL H H 1 8.990 0.02 . . . . . A 73 VAL H . 25819 1 609 . 1 1 73 73 VAL HA H 1 4.531 0.02 . . . . . A 73 VAL HA . 25819 1 610 . 1 1 73 73 VAL HB H 1 2.214 0.02 . . . . . A 73 VAL HB . 25819 1 611 . 1 1 73 73 VAL HG21 H 1 0.995 0.02 . . . . . A 73 VAL HG21 . 25819 1 612 . 1 1 73 73 VAL HG22 H 1 0.995 0.02 . . . . . A 73 VAL HG22 . 25819 1 613 . 1 1 73 73 VAL HG23 H 1 0.995 0.02 . . . . . A 73 VAL HG23 . 25819 1 614 . 1 1 73 73 VAL CA C 13 58.975 0.2 . . . . . A 73 VAL CA . 25819 1 615 . 1 1 73 73 VAL CB C 13 35.179 0.2 . . . . . A 73 VAL CB . 25819 1 616 . 1 1 73 73 VAL CG1 C 13 21.869 0.2 . . . . . A 73 VAL CG1 . 25819 1 617 . 1 1 73 73 VAL CG2 C 13 20.487 0.2 . . . . . A 73 VAL CG2 . 25819 1 618 . 1 1 73 73 VAL N N 15 115.849 0.2 . . . . . A 73 VAL N . 25819 1 619 . 1 1 74 74 LYS H H 1 8.716 0.02 . . . . . A 74 LYS H . 25819 1 620 . 1 1 74 74 LYS HA H 1 5.156 0.02 . . . . . A 74 LYS HA . 25819 1 621 . 1 1 74 74 LYS HB2 H 1 1.588 0.02 . . . . . A 74 LYS HB2 . 25819 1 622 . 1 1 74 74 LYS HD2 H 1 1.387 0.02 . . . . . A 74 LYS HD2 . 25819 1 623 . 1 1 74 74 LYS HD3 H 1 1.324 0.02 . . . . . A 74 LYS HD3 . 25819 1 624 . 1 1 74 74 LYS HE2 H 1 2.871 0.02 . . . . . A 74 LYS HE2 . 25819 1 625 . 1 1 74 74 LYS HE3 H 1 2.686 0.02 . . . . . A 74 LYS HE3 . 25819 1 626 . 1 1 74 74 LYS CA C 13 53.881 0.2 . . . . . A 74 LYS CA . 25819 1 627 . 1 1 74 74 LYS CB C 13 33.597 0.2 . . . . . A 74 LYS CB . 25819 1 628 . 1 1 74 74 LYS CG C 13 23.774 0.2 . . . . . A 74 LYS CG . 25819 1 629 . 1 1 74 74 LYS CD C 13 27.941 0.2 . . . . . A 74 LYS CD . 25819 1 630 . 1 1 74 74 LYS CE C 13 40.785 0.2 . . . . . A 74 LYS CE . 25819 1 631 . 1 1 74 74 LYS N N 15 123.196 0.2 . . . . . A 74 LYS N . 25819 1 632 . 1 1 75 75 VAL H H 1 8.975 0.02 . . . . . A 75 VAL H . 25819 1 633 . 1 1 75 75 VAL HA H 1 4.542 0.02 . . . . . A 75 VAL HA . 25819 1 634 . 1 1 75 75 VAL HB H 1 1.318 0.02 . . . . . A 75 VAL HB . 25819 1 635 . 1 1 75 75 VAL HG21 H 1 0.169 0.02 . . . . . A 75 VAL HG21 . 25819 1 636 . 1 1 75 75 VAL HG22 H 1 0.169 0.02 . . . . . A 75 VAL HG22 . 25819 1 637 . 1 1 75 75 VAL HG23 H 1 0.169 0.02 . . . . . A 75 VAL HG23 . 25819 1 638 . 1 1 75 75 VAL CA C 13 60.816 0.2 . . . . . A 75 VAL CA . 25819 1 639 . 1 1 75 75 VAL CB C 13 32.483 0.2 . . . . . A 75 VAL CB . 25819 1 640 . 1 1 75 75 VAL CG1 C 13 20.036 0.2 . . . . . A 75 VAL CG1 . 25819 1 641 . 1 1 75 75 VAL N N 15 129.522 0.2 . . . . . A 75 VAL N . 25819 1 642 . 1 1 76 76 THR H H 1 8.650 0.02 . . . . . A 76 THR H . 25819 1 643 . 1 1 76 76 THR HA H 1 5.066 0.02 . . . . . A 76 THR HA . 25819 1 644 . 1 1 76 76 THR HB H 1 3.794 0.02 . . . . . A 76 THR HB . 25819 1 645 . 1 1 76 76 THR HG21 H 1 0.959 0.02 . . . . . A 76 THR HG21 . 25819 1 646 . 1 1 76 76 THR HG22 H 1 0.959 0.02 . . . . . A 76 THR HG22 . 25819 1 647 . 1 1 76 76 THR HG23 H 1 0.959 0.02 . . . . . A 76 THR HG23 . 25819 1 648 . 1 1 76 76 THR CA C 13 59.783 0.2 . . . . . A 76 THR CA . 25819 1 649 . 1 1 76 76 THR CB C 13 70.733 0.2 . . . . . A 76 THR CB . 25819 1 650 . 1 1 76 76 THR CG2 C 13 20.485 0.2 . . . . . A 76 THR CG2 . 25819 1 651 . 1 1 76 76 THR N N 15 120.548 0.2 . . . . . A 76 THR N . 25819 1 652 . 1 1 77 77 ALA H H 1 8.674 0.02 . . . . . A 77 ALA H . 25819 1 653 . 1 1 77 77 ALA HA H 1 4.380 0.02 . . . . . A 77 ALA HA . 25819 1 654 . 1 1 77 77 ALA CA C 13 48.430 0.2 . . . . . A 77 ALA CA . 25819 1 655 . 1 1 77 77 ALA CB C 13 20.544 0.2 . . . . . A 77 ALA CB . 25819 1 656 . 1 1 77 77 ALA N N 15 126.454 0.2 . . . . . A 77 ALA N . 25819 1 657 . 1 1 78 78 SER H H 1 8.117 0.02 . . . . . A 78 SER H . 25819 1 658 . 1 1 78 78 SER HA H 1 5.376 0.02 . . . . . A 78 SER HA . 25819 1 659 . 1 1 78 78 SER HB2 H 1 3.597 0.02 . . . . . A 78 SER HB2 . 25819 1 660 . 1 1 78 78 SER HB3 H 1 3.490 0.02 . . . . . A 78 SER HB3 . 25819 1 661 . 1 1 78 78 SER CA C 13 56.077 0.2 . . . . . A 78 SER CA . 25819 1 662 . 1 1 78 78 SER CB C 13 65.730 0.2 . . . . . A 78 SER CB . 25819 1 663 . 1 1 78 78 SER N N 15 113.568 0.2 . . . . . A 78 SER N . 25819 1 664 . 1 1 79 79 ILE H H 1 8.446 0.02 . . . . . A 79 ILE H . 25819 1 665 . 1 1 79 79 ILE HA H 1 4.141 0.02 . . . . . A 79 ILE HA . 25819 1 666 . 1 1 79 79 ILE HB H 1 1.647 0.02 . . . . . A 79 ILE HB . 25819 1 667 . 1 1 79 79 ILE HG12 H 1 1.388 0.02 . . . . . A 79 ILE HG12 . 25819 1 668 . 1 1 79 79 ILE HG21 H 1 0.925 0.02 . . . . . A 79 ILE HG21 . 25819 1 669 . 1 1 79 79 ILE HG22 H 1 0.925 0.02 . . . . . A 79 ILE HG22 . 25819 1 670 . 1 1 79 79 ILE HG23 H 1 0.925 0.02 . . . . . A 79 ILE HG23 . 25819 1 671 . 1 1 79 79 ILE HD11 H 1 0.668 0.02 . . . . . A 79 ILE HD11 . 25819 1 672 . 1 1 79 79 ILE HD12 H 1 0.668 0.02 . . . . . A 79 ILE HD12 . 25819 1 673 . 1 1 79 79 ILE HD13 H 1 0.668 0.02 . . . . . A 79 ILE HD13 . 25819 1 674 . 1 1 79 79 ILE CA C 13 61.124 0.2 . . . . . A 79 ILE CA . 25819 1 675 . 1 1 79 79 ILE CB C 13 38.809 0.2 . . . . . A 79 ILE CB . 25819 1 676 . 1 1 79 79 ILE CG1 C 13 27.941 0.2 . . . . . A 79 ILE CG1 . 25819 1 677 . 1 1 79 79 ILE CG2 C 13 15.462 0.2 . . . . . A 79 ILE CG2 . 25819 1 678 . 1 1 79 79 ILE CD1 C 13 13.324 0.2 . . . . . A 79 ILE CD1 . 25819 1 679 . 1 1 79 79 ILE N N 15 121.071 0.2 . . . . . A 79 ILE N . 25819 1 680 . 1 1 80 80 GLY H H 1 8.899 0.02 . . . . . A 80 GLY H . 25819 1 681 . 1 1 80 80 GLY HA2 H 1 3.798 0.02 . . . . . A 80 GLY HA2 . 25819 1 682 . 1 1 80 80 GLY HA3 H 1 3.798 0.02 . . . . . A 80 GLY HA3 . 25819 1 683 . 1 1 80 80 GLY CA C 13 46.006 0.2 . . . . . A 80 GLY CA . 25819 1 684 . 1 1 80 80 GLY N N 15 117.157 0.2 . . . . . A 80 GLY N . 25819 1 685 . 1 1 81 81 GLY H H 1 8.742 0.02 . . . . . A 81 GLY H . 25819 1 686 . 1 1 81 81 GLY HA2 H 1 4.610 0.02 . . . . . A 81 GLY HA2 . 25819 1 687 . 1 1 81 81 GLY HA3 H 1 2.931 0.02 . . . . . A 81 GLY HA3 . 25819 1 688 . 1 1 81 81 GLY CA C 13 44.378 0.2 . . . . . A 81 GLY CA . 25819 1 689 . 1 1 81 81 GLY N N 15 110.715 0.2 . . . . . A 81 GLY N . 25819 1 690 . 1 1 82 82 ILE H H 1 8.188 0.02 . . . . . A 82 ILE H . 25819 1 691 . 1 1 82 82 ILE HA H 1 4.200 0.02 . . . . . A 82 ILE HA . 25819 1 692 . 1 1 82 82 ILE HB H 1 1.809 0.02 . . . . . A 82 ILE HB . 25819 1 693 . 1 1 82 82 ILE HG12 H 1 1.241 0.02 . . . . . A 82 ILE HG12 . 25819 1 694 . 1 1 82 82 ILE HG13 H 1 1.071 0.02 . . . . . A 82 ILE HG13 . 25819 1 695 . 1 1 82 82 ILE HG21 H 1 1.077 0.02 . . . . . A 82 ILE HG21 . 25819 1 696 . 1 1 82 82 ILE HG22 H 1 1.077 0.02 . . . . . A 82 ILE HG22 . 25819 1 697 . 1 1 82 82 ILE HG23 H 1 1.077 0.02 . . . . . A 82 ILE HG23 . 25819 1 698 . 1 1 82 82 ILE HD11 H 1 0.577 0.02 . . . . . A 82 ILE HD11 . 25819 1 699 . 1 1 82 82 ILE HD12 H 1 0.577 0.02 . . . . . A 82 ILE HD12 . 25819 1 700 . 1 1 82 82 ILE HD13 H 1 0.577 0.02 . . . . . A 82 ILE HD13 . 25819 1 701 . 1 1 82 82 ILE CA C 13 59.033 0.2 . . . . . A 82 ILE CA . 25819 1 702 . 1 1 82 82 ILE CB C 13 36.777 0.2 . . . . . A 82 ILE CB . 25819 1 703 . 1 1 82 82 ILE CG1 C 13 26.508 0.2 . . . . . A 82 ILE CG1 . 25819 1 704 . 1 1 82 82 ILE CG2 C 13 16.608 0.2 . . . . . A 82 ILE CG2 . 25819 1 705 . 1 1 82 82 ILE N N 15 124.113 0.2 . . . . . A 82 ILE N . 25819 1 706 . 1 1 83 83 GLN H H 1 8.423 0.02 . . . . . A 83 GLN H . 25819 1 707 . 1 1 83 83 GLN HA H 1 5.395 0.02 . . . . . A 83 GLN HA . 25819 1 708 . 1 1 83 83 GLN HB2 H 1 1.731 0.02 . . . . . A 83 GLN HB2 . 25819 1 709 . 1 1 83 83 GLN HB3 H 1 2.052 0.02 . . . . . A 83 GLN HB3 . 25819 1 710 . 1 1 83 83 GLN HE22 H 1 7.418 0.02 . . . . . A 83 GLN HE22 . 25819 1 711 . 1 1 83 83 GLN CA C 13 53.020 0.2 . . . . . A 83 GLN CA . 25819 1 712 . 1 1 83 83 GLN CB C 13 32.515 0.2 . . . . . A 83 GLN CB . 25819 1 713 . 1 1 83 83 GLN N N 15 122.455 0.2 . . . . . A 83 GLN N . 25819 1 714 . 1 1 83 83 GLN NE2 N 15 111.905 0.2 . . . . . A 83 GLN NE2 . 25819 1 715 . 1 1 84 84 GLY H H 1 8.931 0.02 . . . . . A 84 GLY H . 25819 1 716 . 1 1 84 84 GLY HA2 H 1 4.650 0.02 . . . . . A 84 GLY HA2 . 25819 1 717 . 1 1 84 84 GLY HA3 H 1 3.562 0.02 . . . . . A 84 GLY HA3 . 25819 1 718 . 1 1 84 84 GLY N N 15 111.437 0.2 . . . . . A 84 GLY N . 25819 1 719 . 1 1 85 85 SER H H 1 8.710 0.02 . . . . . A 85 SER H . 25819 1 720 . 1 1 85 85 SER HB2 H 1 3.748 0.02 . . . . . A 85 SER HB2 . 25819 1 721 . 1 1 85 85 SER HB3 H 1 3.880 0.02 . . . . . A 85 SER HB3 . 25819 1 722 . 1 1 85 85 SER CA C 13 56.264 0.2 . . . . . A 85 SER CA . 25819 1 723 . 1 1 85 85 SER CB C 13 66.946 0.2 . . . . . A 85 SER CB . 25819 1 724 . 1 1 85 85 SER N N 15 113.878 0.2 . . . . . A 85 SER N . 25819 1 725 . 1 1 86 86 THR H H 1 8.854 0.02 . . . . . A 86 THR H . 25819 1 726 . 1 1 86 86 THR HA H 1 4.772 0.02 . . . . . A 86 THR HA . 25819 1 727 . 1 1 86 86 THR HB H 1 4.135 0.02 . . . . . A 86 THR HB . 25819 1 728 . 1 1 86 86 THR HG21 H 1 1.290 0.02 . . . . . A 86 THR HG21 . 25819 1 729 . 1 1 86 86 THR HG22 H 1 1.290 0.02 . . . . . A 86 THR HG22 . 25819 1 730 . 1 1 86 86 THR HG23 H 1 1.290 0.02 . . . . . A 86 THR HG23 . 25819 1 731 . 1 1 86 86 THR CA C 13 60.313 0.2 . . . . . A 86 THR CA . 25819 1 732 . 1 1 86 86 THR CB C 13 69.852 0.2 . . . . . A 86 THR CB . 25819 1 733 . 1 1 86 86 THR CG2 C 13 18.125 0.2 . . . . . A 86 THR CG2 . 25819 1 734 . 1 1 86 86 THR N N 15 115.389 0.2 . . . . . A 86 THR N . 25819 1 735 . 1 1 87 87 ASP H H 1 7.953 0.02 . . . . . A 87 ASP H . 25819 1 736 . 1 1 87 87 ASP HA H 1 5.436 0.02 . . . . . A 87 ASP HA . 25819 1 737 . 1 1 87 87 ASP HB2 H 1 2.702 0.02 . . . . . A 87 ASP HB2 . 25819 1 738 . 1 1 87 87 ASP CA C 13 53.796 0.2 . . . . . A 87 ASP CA . 25819 1 739 . 1 1 87 87 ASP CB C 13 42.010 0.2 . . . . . A 87 ASP CB . 25819 1 740 . 1 1 87 87 ASP N N 15 124.623 0.2 . . . . . A 87 ASP N . 25819 1 741 . 1 1 88 88 PHE H H 1 9.094 0.02 . . . . . A 88 PHE H . 25819 1 742 . 1 1 88 88 PHE HA H 1 4.931 0.02 . . . . . A 88 PHE HA . 25819 1 743 . 1 1 88 88 PHE HB2 H 1 2.901 0.02 . . . . . A 88 PHE HB2 . 25819 1 744 . 1 1 88 88 PHE HB3 H 1 2.662 0.02 . . . . . A 88 PHE HB3 . 25819 1 745 . 1 1 88 88 PHE HD1 H 1 6.971 0.02 . . . . . A 88 PHE HD1 . 25819 1 746 . 1 1 88 88 PHE CA C 13 56.968 0.2 . . . . . A 88 PHE CA . 25819 1 747 . 1 1 88 88 PHE CB C 13 42.884 0.2 . . . . . A 88 PHE CB . 25819 1 748 . 1 1 88 88 PHE N N 15 123.574 0.2 . . . . . A 88 PHE N . 25819 1 749 . 1 1 89 89 LYS H H 1 7.269 0.02 . . . . . A 89 LYS H . 25819 1 750 . 1 1 89 89 LYS HA H 1 5.038 0.02 . . . . . A 89 LYS HA . 25819 1 751 . 1 1 89 89 LYS HB2 H 1 1.540 0.02 . . . . . A 89 LYS HB2 . 25819 1 752 . 1 1 89 89 LYS HG3 H 1 0.972 0.02 . . . . . A 89 LYS HG3 . 25819 1 753 . 1 1 89 89 LYS HD2 H 1 1.269 0.02 . . . . . A 89 LYS HD2 . 25819 1 754 . 1 1 89 89 LYS HE2 H 1 2.783 0.02 . . . . . A 89 LYS HE2 . 25819 1 755 . 1 1 89 89 LYS CA C 13 53.889 0.2 . . . . . A 89 LYS CA . 25819 1 756 . 1 1 89 89 LYS CB C 13 34.669 0.2 . . . . . A 89 LYS CB . 25819 1 757 . 1 1 89 89 LYS CG C 13 23.890 0.2 . . . . . A 89 LYS CG . 25819 1 758 . 1 1 89 89 LYS CD C 13 28.369 0.2 . . . . . A 89 LYS CD . 25819 1 759 . 1 1 89 89 LYS CE C 13 40.775 0.2 . . . . . A 89 LYS CE . 25819 1 760 . 1 1 89 89 LYS N N 15 126.965 0.2 . . . . . A 89 LYS N . 25819 1 761 . 1 1 90 90 VAL H H 1 9.086 0.02 . . . . . A 90 VAL H . 25819 1 762 . 1 1 90 90 VAL HA H 1 5.011 0.02 . . . . . A 90 VAL HA . 25819 1 763 . 1 1 90 90 VAL HB H 1 2.418 0.02 . . . . . A 90 VAL HB . 25819 1 764 . 1 1 90 90 VAL HG21 H 1 0.944 0.02 . . . . . A 90 VAL HG21 . 25819 1 765 . 1 1 90 90 VAL HG22 H 1 0.944 0.02 . . . . . A 90 VAL HG22 . 25819 1 766 . 1 1 90 90 VAL HG23 H 1 0.944 0.02 . . . . . A 90 VAL HG23 . 25819 1 767 . 1 1 90 90 VAL CA C 13 59.547 0.2 . . . . . A 90 VAL CA . 25819 1 768 . 1 1 90 90 VAL CB C 13 30.948 0.2 . . . . . A 90 VAL CB . 25819 1 769 . 1 1 90 90 VAL CG1 C 13 21.137 0.2 . . . . . A 90 VAL CG1 . 25819 1 770 . 1 1 90 90 VAL N N 15 126.148 0.2 . . . . . A 90 VAL N . 25819 1 771 . 1 1 91 91 THR H H 1 8.757 0.02 . . . . . A 91 THR H . 25819 1 772 . 1 1 91 91 THR HA H 1 4.568 0.02 . . . . . A 91 THR HA . 25819 1 773 . 1 1 91 91 THR HB H 1 4.421 0.02 . . . . . A 91 THR HB . 25819 1 774 . 1 1 91 91 THR HG21 H 1 0.960 0.02 . . . . . A 91 THR HG21 . 25819 1 775 . 1 1 91 91 THR HG22 H 1 0.960 0.02 . . . . . A 91 THR HG22 . 25819 1 776 . 1 1 91 91 THR HG23 H 1 0.960 0.02 . . . . . A 91 THR HG23 . 25819 1 777 . 1 1 91 91 THR CA C 13 59.348 0.2 . . . . . A 91 THR CA . 25819 1 778 . 1 1 91 91 THR CB C 13 68.970 0.2 . . . . . A 91 THR CB . 25819 1 779 . 1 1 91 91 THR CG2 C 13 20.627 0.2 . . . . . A 91 THR CG2 . 25819 1 780 . 1 1 91 91 THR N N 15 120.505 0.2 . . . . . A 91 THR N . 25819 1 781 . 1 1 92 92 GLN H H 1 8.380 0.02 . . . . . A 92 GLN H . 25819 1 782 . 1 1 92 92 GLN HA H 1 4.101 0.02 . . . . . A 92 GLN HA . 25819 1 783 . 1 1 92 92 GLN HB2 H 1 1.986 0.02 . . . . . A 92 GLN HB2 . 25819 1 784 . 1 1 92 92 GLN HG2 H 1 2.353 0.02 . . . . . A 92 GLN HG2 . 25819 1 785 . 1 1 92 92 GLN HE22 H 1 7.581 0.02 . . . . . A 92 GLN HE22 . 25819 1 786 . 1 1 92 92 GLN CA C 13 55.464 0.2 . . . . . A 92 GLN CA . 25819 1 787 . 1 1 92 92 GLN CB C 13 28.554 0.2 . . . . . A 92 GLN CB . 25819 1 788 . 1 1 92 92 GLN CG C 13 32.336 0.2 . . . . . A 92 GLN CG . 25819 1 789 . 1 1 92 92 GLN N N 15 118.559 0.2 . . . . . A 92 GLN N . 25819 1 790 . 1 1 92 92 GLN NE2 N 15 112.160 0.2 . . . . . A 92 GLN NE2 . 25819 1 stop_ save_