data_36012 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36012 _Entry.Title ; Solution structure of nedd8 from Trypanosoma brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-25 _Entry.Accession_date 2016-09-20 _Entry.Last_release_date 2016-09-20 _Entry.Original_release_date 2016-09-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 R. Wang R. . . . 36012 2 S. Liao S. . . . 36012 3 J. Zhang J. . . . 36012 4 X. Tu X. . . . 36012 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ubiquitin-like fold' . 36012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 223 36012 '15N chemical shifts' 77 36012 '1H chemical shifts' 479 36012 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 1 . . 2017-07-24 . original BMRB . 36012 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5GO0 'BMRB Entry Tracking System' 36012 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36012 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of nedd8 from Trypanosoma brucei ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 R. Wang R. . . . 36012 1 2 S. Liao S. . . . 36012 1 3 J. Zhang J. . . . 36012 1 4 X. Tu X. . . . 36012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36012 _Assembly.ID 1 _Assembly.Name 'Ubiquitin, putative' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 1 $entity_1 A A yes . . . . . . 36012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHMLLKVKTVSNKV IQITSLTDDNTIAELKGKLE ESEGIPGNMIRLVYQGKQLE DEKRLKDYQMSAGATFHMVV ALRAGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9697.252 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin like protein' na 36012 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -7 MET . 36012 1 2 -6 GLY . 36012 1 3 -5 HIS . 36012 1 4 -4 HIS . 36012 1 5 -3 HIS . 36012 1 6 -2 HIS . 36012 1 7 -1 HIS . 36012 1 8 0 HIS . 36012 1 9 1 MET . 36012 1 10 2 LEU . 36012 1 11 3 LEU . 36012 1 12 4 LYS . 36012 1 13 5 VAL . 36012 1 14 6 LYS . 36012 1 15 7 THR . 36012 1 16 8 VAL . 36012 1 17 9 SER . 36012 1 18 10 ASN . 36012 1 19 11 LYS . 36012 1 20 12 VAL . 36012 1 21 13 ILE . 36012 1 22 14 GLN . 36012 1 23 15 ILE . 36012 1 24 16 THR . 36012 1 25 17 SER . 36012 1 26 18 LEU . 36012 1 27 19 THR . 36012 1 28 20 ASP . 36012 1 29 21 ASP . 36012 1 30 22 ASN . 36012 1 31 23 THR . 36012 1 32 24 ILE . 36012 1 33 25 ALA . 36012 1 34 26 GLU . 36012 1 35 27 LEU . 36012 1 36 28 LYS . 36012 1 37 29 GLY . 36012 1 38 30 LYS . 36012 1 39 31 LEU . 36012 1 40 32 GLU . 36012 1 41 33 GLU . 36012 1 42 34 SER . 36012 1 43 35 GLU . 36012 1 44 36 GLY . 36012 1 45 37 ILE . 36012 1 46 38 PRO . 36012 1 47 39 GLY . 36012 1 48 40 ASN . 36012 1 49 41 MET . 36012 1 50 42 ILE . 36012 1 51 43 ARG . 36012 1 52 44 LEU . 36012 1 53 45 VAL . 36012 1 54 46 TYR . 36012 1 55 47 GLN . 36012 1 56 48 GLY . 36012 1 57 49 LYS . 36012 1 58 50 GLN . 36012 1 59 51 LEU . 36012 1 60 52 GLU . 36012 1 61 53 ASP . 36012 1 62 54 GLU . 36012 1 63 55 LYS . 36012 1 64 56 ARG . 36012 1 65 57 LEU . 36012 1 66 58 LYS . 36012 1 67 59 ASP . 36012 1 68 60 TYR . 36012 1 69 61 GLN . 36012 1 70 62 MET . 36012 1 71 63 SER . 36012 1 72 64 ALA . 36012 1 73 65 GLY . 36012 1 74 66 ALA . 36012 1 75 67 THR . 36012 1 76 68 PHE . 36012 1 77 69 HIS . 36012 1 78 70 MET . 36012 1 79 71 VAL . 36012 1 80 72 VAL . 36012 1 81 73 ALA . 36012 1 82 74 LEU . 36012 1 83 75 ARG . 36012 1 84 76 ALA . 36012 1 85 77 GLY . 36012 1 86 78 CYS . 36012 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 36012 1 . GLY 2 2 36012 1 . HIS 3 3 36012 1 . HIS 4 4 36012 1 . HIS 5 5 36012 1 . HIS 6 6 36012 1 . HIS 7 7 36012 1 . HIS 8 8 36012 1 . MET 9 9 36012 1 . LEU 10 10 36012 1 . LEU 11 11 36012 1 . LYS 12 12 36012 1 . VAL 13 13 36012 1 . LYS 14 14 36012 1 . THR 15 15 36012 1 . VAL 16 16 36012 1 . SER 17 17 36012 1 . ASN 18 18 36012 1 . LYS 19 19 36012 1 . VAL 20 20 36012 1 . ILE 21 21 36012 1 . GLN 22 22 36012 1 . ILE 23 23 36012 1 . THR 24 24 36012 1 . SER 25 25 36012 1 . LEU 26 26 36012 1 . THR 27 27 36012 1 . ASP 28 28 36012 1 . ASP 29 29 36012 1 . ASN 30 30 36012 1 . THR 31 31 36012 1 . ILE 32 32 36012 1 . ALA 33 33 36012 1 . GLU 34 34 36012 1 . LEU 35 35 36012 1 . LYS 36 36 36012 1 . GLY 37 37 36012 1 . LYS 38 38 36012 1 . LEU 39 39 36012 1 . GLU 40 40 36012 1 . GLU 41 41 36012 1 . SER 42 42 36012 1 . GLU 43 43 36012 1 . GLY 44 44 36012 1 . ILE 45 45 36012 1 . PRO 46 46 36012 1 . GLY 47 47 36012 1 . ASN 48 48 36012 1 . MET 49 49 36012 1 . ILE 50 50 36012 1 . ARG 51 51 36012 1 . LEU 52 52 36012 1 . VAL 53 53 36012 1 . TYR 54 54 36012 1 . GLN 55 55 36012 1 . GLY 56 56 36012 1 . LYS 57 57 36012 1 . GLN 58 58 36012 1 . LEU 59 59 36012 1 . GLU 60 60 36012 1 . ASP 61 61 36012 1 . GLU 62 62 36012 1 . LYS 63 63 36012 1 . ARG 64 64 36012 1 . LEU 65 65 36012 1 . LYS 66 66 36012 1 . ASP 67 67 36012 1 . TYR 68 68 36012 1 . GLN 69 69 36012 1 . MET 70 70 36012 1 . SER 71 71 36012 1 . ALA 72 72 36012 1 . GLY 73 73 36012 1 . ALA 74 74 36012 1 . THR 75 75 36012 1 . PHE 76 76 36012 1 . HIS 77 77 36012 1 . MET 78 78 36012 1 . VAL 79 79 36012 1 . VAL 80 80 36012 1 . ALA 81 81 36012 1 . LEU 82 82 36012 1 . ARG 83 83 36012 1 . ALA 84 84 36012 1 . GLY 85 85 36012 1 . CYS 86 86 36012 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 36012 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 185431 organism . 'Trypanosoma brucei brucei (strain 927/4 GUTat10.1)' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei '927/4 GUTat10.1' . . . . . . . . . . Tb927.4.2540 . 36012 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 36012 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli-Pichia pastoris shuttle vector pPpARG4' . . 1182032 . . . . . plasmid . . . . . . 36012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36012 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM NaH2PO4 Sodium dihydrogen phosphate, 150 nM NaCl sodium chloride, 25 uM Arg arginine, 25 uM Glu glutamine, 2 mM DTT Dithiothreitol, 2 uM EDTA Ethylene Diamine Tetraacetic Acid, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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_1 . . . 1 $entity_1 . protein . . . mM . . . . 36012 1 2 Dithiothreitol 'natural abundance' . . . . . . 2 . . mM . . . . 36012 1 3 'Ethylene Diamine Tetraacetic Acid' 'natural abundance' . . . . . . 2 . . uM . . . . 36012 1 4 'Sodium dihydrogen phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36012 1 5 arginine 'natural abundance' . . . . . arginine 25 . . uM . . . . 36012 1 6 glutamine 'natural abundance' . . . . . glutamine 25 . . uM . . . . 36012 1 7 'sodium chloride' 'natural abundance' . . . . . salt 150 . . uM . . . . 36012 1 8 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36012 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 36012 _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' 150 . mM 36012 1 pH 6.7 . pH 36012 1 pressure 1 . atm 36012 1 temperature 293 . K 36012 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36012 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36012 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36012 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36012 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36012 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 36012 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36012 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36012 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 36012 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36012 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36012 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36012 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 36012 _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 NMR_spectrometer_1 Bruker DMX . 500 . . . 36012 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 36012 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36012 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36012 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36012 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36012 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36012 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 36012 _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 0.000 na indirect 0.25144953 . . . . . 36012 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36012 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.10132912 . . . . . 36012 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36012 _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 $chem_shift_reference_2 _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' 1 $sample_1 isotropic 36012 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36012 1 3 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36012 1 4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36012 1 5 '3D H(CCO)NH' 1 $sample_1 isotropic 36012 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 36012 1 4 $software_4 . . 36012 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 9 9 MET H H 1 8.366 . . 1 . . . A 1 MET H . 36012 1 2 . 1 1 9 9 MET HA H 1 4.502 . . 1 . . . A 1 MET HA . 36012 1 3 . 1 1 9 9 MET HB2 H 1 1.708 . . 2 . . . A 1 MET HB2 . 36012 1 4 . 1 1 9 9 MET HB3 H 1 1.872 . . 2 . . . A 1 MET HB3 . 36012 1 5 . 1 1 9 9 MET HE1 H 1 2.253 . . 1 . . . A 1 MET HE1 . 36012 1 6 . 1 1 9 9 MET HE2 H 1 2.253 . . 1 . . . A 1 MET HE2 . 36012 1 7 . 1 1 9 9 MET HE3 H 1 2.253 . . 1 . . . A 1 MET HE3 . 36012 1 8 . 1 1 9 9 MET CA C 13 54.388 . . 1 . . . A 1 MET CA . 36012 1 9 . 1 1 9 9 MET CB C 13 34.716 . . 1 . . . A 1 MET CB . 36012 1 10 . 1 1 9 9 MET CG C 13 31.334 . . 1 . . . A 1 MET CG . 36012 1 11 . 1 1 9 9 MET N N 15 121.454 . . 1 . . . A 1 MET N . 36012 1 12 . 1 1 10 10 LEU H H 1 8.251 . . 1 . . . A 2 LEU H . 36012 1 13 . 1 1 10 10 LEU HA H 1 4.474 . . 1 . . . A 2 LEU HA . 36012 1 14 . 1 1 10 10 LEU HB2 H 1 1.482 . . 2 . . . A 2 LEU HB2 . 36012 1 15 . 1 1 10 10 LEU HB3 H 1 1.631 . . 2 . . . A 2 LEU HB3 . 36012 1 16 . 1 1 10 10 LEU HG H 1 1.292 . . 1 . . . A 2 LEU HG . 36012 1 17 . 1 1 10 10 LEU HD11 H 1 0.775 . . 2 . . . A 2 LEU HD11 . 36012 1 18 . 1 1 10 10 LEU HD12 H 1 0.775 . . 2 . . . A 2 LEU HD12 . 36012 1 19 . 1 1 10 10 LEU HD13 H 1 0.775 . . 2 . . . A 2 LEU HD13 . 36012 1 20 . 1 1 10 10 LEU HD21 H 1 0.775 . . 2 . . . A 2 LEU HD21 . 36012 1 21 . 1 1 10 10 LEU HD22 H 1 0.775 . . 2 . . . A 2 LEU HD22 . 36012 1 22 . 1 1 10 10 LEU HD23 H 1 0.775 . . 2 . . . A 2 LEU HD23 . 36012 1 23 . 1 1 10 10 LEU CA C 13 55.275 . . 1 . . . A 2 LEU CA . 36012 1 24 . 1 1 10 10 LEU CB C 13 41.902 . . 1 . . . A 2 LEU CB . 36012 1 25 . 1 1 10 10 LEU CG C 13 28.219 . . 1 . . . A 2 LEU CG . 36012 1 26 . 1 1 10 10 LEU CD1 C 13 24.511 . . 2 . . . A 2 LEU CD1 . 36012 1 27 . 1 1 10 10 LEU N N 15 125.142 . . 1 . . . A 2 LEU N . 36012 1 28 . 1 1 11 11 LEU H H 1 8.307 . . 1 . . . A 3 LEU H . 36012 1 29 . 1 1 11 11 LEU HA H 1 4.796 . . 1 . . . A 3 LEU HA . 36012 1 30 . 1 1 11 11 LEU HB2 H 1 1.164 . . 2 . . . A 3 LEU HB2 . 36012 1 31 . 1 1 11 11 LEU HB3 H 1 1.599 . . 2 . . . A 3 LEU HB3 . 36012 1 32 . 1 1 11 11 LEU HD11 H 1 0.659 . . 2 . . . A 3 LEU HD11 . 36012 1 33 . 1 1 11 11 LEU HD12 H 1 0.659 . . 2 . . . A 3 LEU HD12 . 36012 1 34 . 1 1 11 11 LEU HD13 H 1 0.659 . . 2 . . . A 3 LEU HD13 . 36012 1 35 . 1 1 11 11 LEU HD21 H 1 0.659 . . 2 . . . A 3 LEU HD21 . 36012 1 36 . 1 1 11 11 LEU HD22 H 1 0.659 . . 2 . . . A 3 LEU HD22 . 36012 1 37 . 1 1 11 11 LEU HD23 H 1 0.659 . . 2 . . . A 3 LEU HD23 . 36012 1 38 . 1 1 11 11 LEU CA C 13 53.043 . . 1 . . . A 3 LEU CA . 36012 1 39 . 1 1 11 11 LEU CB C 13 44.508 . . 1 . . . A 3 LEU CB . 36012 1 40 . 1 1 11 11 LEU CG C 13 26.715 . . 1 . . . A 3 LEU CG . 36012 1 41 . 1 1 11 11 LEU N N 15 126.326 . . 1 . . . A 3 LEU N . 36012 1 42 . 1 1 12 12 LYS H H 1 8.428 . . 1 . . . A 4 LYS H . 36012 1 43 . 1 1 12 12 LYS HA H 1 5.080 . . 1 . . . A 4 LYS HA . 36012 1 44 . 1 1 12 12 LYS HB2 H 1 1.398 . . 2 . . . A 4 LYS HB2 . 36012 1 45 . 1 1 12 12 LYS HB3 H 1 1.849 . . 2 . . . A 4 LYS HB3 . 36012 1 46 . 1 1 12 12 LYS HG2 H 1 1.472 . . 2 . . . A 4 LYS HG2 . 36012 1 47 . 1 1 12 12 LYS HG3 H 1 1.472 . . 2 . . . A 4 LYS HG3 . 36012 1 48 . 1 1 12 12 LYS HD2 H 1 1.134 . . 2 . . . A 4 LYS HD2 . 36012 1 49 . 1 1 12 12 LYS HD3 H 1 1.134 . . 2 . . . A 4 LYS HD3 . 36012 1 50 . 1 1 12 12 LYS HE2 H 1 2.756 . . 2 . . . A 4 LYS HE2 . 36012 1 51 . 1 1 12 12 LYS HE3 H 1 2.756 . . 2 . . . A 4 LYS HE3 . 36012 1 52 . 1 1 12 12 LYS CA C 13 54.632 . . 1 . . . A 4 LYS CA . 36012 1 53 . 1 1 12 12 LYS CB C 13 34.425 . . 1 . . . A 4 LYS CB . 36012 1 54 . 1 1 12 12 LYS CG C 13 25.459 . . 1 . . . A 4 LYS CG . 36012 1 55 . 1 1 12 12 LYS N N 15 121.349 . . 1 . . . A 4 LYS N . 36012 1 56 . 1 1 13 13 VAL H H 1 9.088 . . 1 . . . A 5 VAL H . 36012 1 57 . 1 1 13 13 VAL HA H 1 4.688 . . 1 . . . A 5 VAL HA . 36012 1 58 . 1 1 13 13 VAL HB H 1 1.869 . . 1 . . . A 5 VAL HB . 36012 1 59 . 1 1 13 13 VAL HG11 H 1 0.740 . . 2 . . . A 5 VAL HG11 . 36012 1 60 . 1 1 13 13 VAL HG12 H 1 0.740 . . 2 . . . A 5 VAL HG12 . 36012 1 61 . 1 1 13 13 VAL HG13 H 1 0.740 . . 2 . . . A 5 VAL HG13 . 36012 1 62 . 1 1 13 13 VAL HG21 H 1 0.740 . . 2 . . . A 5 VAL HG21 . 36012 1 63 . 1 1 13 13 VAL HG22 H 1 0.740 . . 2 . . . A 5 VAL HG22 . 36012 1 64 . 1 1 13 13 VAL HG23 H 1 0.740 . . 2 . . . A 5 VAL HG23 . 36012 1 65 . 1 1 13 13 VAL CA C 13 60.326 . . 1 . . . A 5 VAL CA . 36012 1 66 . 1 1 13 13 VAL CB C 13 33.830 . . 1 . . . A 5 VAL CB . 36012 1 67 . 1 1 13 13 VAL CG1 C 13 22.384 . . 2 . . . A 5 VAL CG1 . 36012 1 68 . 1 1 13 13 VAL CG2 C 13 20.738 . . 2 . . . A 5 VAL CG2 . 36012 1 69 . 1 1 13 13 VAL N N 15 122.408 . . 1 . . . A 5 VAL N . 36012 1 70 . 1 1 14 14 LYS H H 1 9.029 . . 1 . . . A 6 LYS H . 36012 1 71 . 1 1 14 14 LYS HA H 1 5.352 . . 1 . . . A 6 LYS HA . 36012 1 72 . 1 1 14 14 LYS HB2 H 1 1.336 . . 2 . . . A 6 LYS HB2 . 36012 1 73 . 1 1 14 14 LYS HB3 H 1 1.696 . . 2 . . . A 6 LYS HB3 . 36012 1 74 . 1 1 14 14 LYS HG2 H 1 1.221 . . 2 . . . A 6 LYS HG2 . 36012 1 75 . 1 1 14 14 LYS HG3 H 1 1.221 . . 2 . . . A 6 LYS HG3 . 36012 1 76 . 1 1 14 14 LYS HD2 H 1 1.518 . . 2 . . . A 6 LYS HD2 . 36012 1 77 . 1 1 14 14 LYS HD3 H 1 1.518 . . 2 . . . A 6 LYS HD3 . 36012 1 78 . 1 1 14 14 LYS CA C 13 54.675 . . 1 . . . A 6 LYS CA . 36012 1 79 . 1 1 14 14 LYS CB C 13 34.184 . . 1 . . . A 6 LYS CB . 36012 1 80 . 1 1 14 14 LYS CG C 13 25.016 . . 1 . . . A 6 LYS CG . 36012 1 81 . 1 1 14 14 LYS N N 15 127.778 . . 1 . . . A 6 LYS N . 36012 1 82 . 1 1 15 15 THR H H 1 8.790 . . 1 . . . A 7 THR H . 36012 1 83 . 1 1 15 15 THR HA H 1 4.860 . . 1 . . . A 7 THR HA . 36012 1 84 . 1 1 15 15 THR HG21 H 1 1.169 . . 1 . . . A 7 THR HG21 . 36012 1 85 . 1 1 15 15 THR HG22 H 1 1.169 . . 1 . . . A 7 THR HG22 . 36012 1 86 . 1 1 15 15 THR HG23 H 1 1.169 . . 1 . . . A 7 THR HG23 . 36012 1 87 . 1 1 15 15 THR CA C 13 60.392 . . 1 . . . A 7 THR CA . 36012 1 88 . 1 1 15 15 THR CB C 13 71.189 . . 1 . . . A 7 THR CB . 36012 1 89 . 1 1 15 15 THR CG2 C 13 21.383 . . 1 . . . A 7 THR CG2 . 36012 1 90 . 1 1 15 15 THR N N 15 116.723 . . 1 . . . A 7 THR N . 36012 1 91 . 1 1 16 16 VAL H H 1 8.872 . . 1 . . . A 8 VAL H . 36012 1 92 . 1 1 16 16 VAL HA H 1 4.103 . . 1 . . . A 8 VAL HA . 36012 1 93 . 1 1 16 16 VAL HB H 1 2.328 . . 1 . . . A 8 VAL HB . 36012 1 94 . 1 1 16 16 VAL HG11 H 1 1.119 . . 2 . . . A 8 VAL HG11 . 36012 1 95 . 1 1 16 16 VAL HG12 H 1 1.119 . . 2 . . . A 8 VAL HG12 . 36012 1 96 . 1 1 16 16 VAL HG13 H 1 1.119 . . 2 . . . A 8 VAL HG13 . 36012 1 97 . 1 1 16 16 VAL HG21 H 1 1.119 . . 2 . . . A 8 VAL HG21 . 36012 1 98 . 1 1 16 16 VAL HG22 H 1 1.119 . . 2 . . . A 8 VAL HG22 . 36012 1 99 . 1 1 16 16 VAL HG23 H 1 1.119 . . 2 . . . A 8 VAL HG23 . 36012 1 100 . 1 1 16 16 VAL CA C 13 64.712 . . 1 . . . A 8 VAL CA . 36012 1 101 . 1 1 16 16 VAL CB C 13 31.160 . . 1 . . . A 8 VAL CB . 36012 1 102 . 1 1 16 16 VAL CG1 C 13 21.314 . . 2 . . . A 8 VAL CG1 . 36012 1 103 . 1 1 16 16 VAL N N 15 119.340 . . 1 . . . A 8 VAL N . 36012 1 104 . 1 1 17 17 SER H H 1 7.859 . . 1 . . . A 9 SER H . 36012 1 105 . 1 1 17 17 SER HA H 1 4.513 . . 1 . . . A 9 SER HA . 36012 1 106 . 1 1 17 17 SER HB2 H 1 3.886 . . 2 . . . A 9 SER HB2 . 36012 1 107 . 1 1 17 17 SER HB3 H 1 4.055 . . 2 . . . A 9 SER HB3 . 36012 1 108 . 1 1 17 17 SER CA C 13 57.913 . . 1 . . . A 9 SER CA . 36012 1 109 . 1 1 17 17 SER CB C 13 63.243 . . 1 . . . A 9 SER CB . 36012 1 110 . 1 1 17 17 SER N N 15 114.630 . . 1 . . . A 9 SER N . 36012 1 111 . 1 1 18 18 ASN H H 1 8.229 . . 1 . . . A 10 ASN H . 36012 1 112 . 1 1 18 18 ASN HA H 1 4.192 . . 1 . . . A 10 ASN HA . 36012 1 113 . 1 1 18 18 ASN HB2 H 1 3.056 . . 2 . . . A 10 ASN HB2 . 36012 1 114 . 1 1 18 18 ASN CA C 13 54.961 . . 1 . . . A 10 ASN CA . 36012 1 115 . 1 1 18 18 ASN CB C 13 36.295 . . 1 . . . A 10 ASN CB . 36012 1 116 . 1 1 18 18 ASN N N 15 115.509 . . 1 . . . A 10 ASN N . 36012 1 117 . 1 1 19 19 LYS H H 1 7.315 . . 1 . . . A 11 LYS H . 36012 1 118 . 1 1 19 19 LYS HA H 1 4.255 . . 1 . . . A 11 LYS HA . 36012 1 119 . 1 1 19 19 LYS HB2 H 1 1.609 . . 2 . . . A 11 LYS HB2 . 36012 1 120 . 1 1 19 19 LYS HG2 H 1 1.099 . . 2 . . . A 11 LYS HG2 . 36012 1 121 . 1 1 19 19 LYS HG3 H 1 1.555 . . 2 . . . A 11 LYS HG3 . 36012 1 122 . 1 1 19 19 LYS HD2 H 1 1.404 . . 2 . . . A 11 LYS HD2 . 36012 1 123 . 1 1 19 19 LYS HD3 H 1 1.404 . . 2 . . . A 11 LYS HD3 . 36012 1 124 . 1 1 19 19 LYS HE2 H 1 2.825 . . 2 . . . A 11 LYS HE2 . 36012 1 125 . 1 1 19 19 LYS HE3 H 1 2.825 . . 2 . . . A 11 LYS HE3 . 36012 1 126 . 1 1 19 19 LYS CA C 13 56.347 . . 1 . . . A 11 LYS CA . 36012 1 127 . 1 1 19 19 LYS CB C 13 32.936 . . 1 . . . A 11 LYS CB . 36012 1 128 . 1 1 19 19 LYS CG C 13 24.874 . . 1 . . . A 11 LYS CG . 36012 1 129 . 1 1 19 19 LYS CD C 13 29.387 . . 1 . . . A 11 LYS CD . 36012 1 130 . 1 1 19 19 LYS CE C 13 41.870 . . 1 . . . A 11 LYS CE . 36012 1 131 . 1 1 19 19 LYS N N 15 120.345 . . 1 . . . A 11 LYS N . 36012 1 132 . 1 1 20 20 VAL H H 1 8.576 . . 1 . . . A 12 VAL H . 36012 1 133 . 1 1 20 20 VAL HA H 1 4.637 . . 1 . . . A 12 VAL HA . 36012 1 134 . 1 1 20 20 VAL HB H 1 1.901 . . 1 . . . A 12 VAL HB . 36012 1 135 . 1 1 20 20 VAL HG11 H 1 0.700 . . 1 . . . A 12 VAL HG11 . 36012 1 136 . 1 1 20 20 VAL HG12 H 1 0.700 . . 1 . . . A 12 VAL HG12 . 36012 1 137 . 1 1 20 20 VAL HG13 H 1 0.700 . . 1 . . . A 12 VAL HG13 . 36012 1 138 . 1 1 20 20 VAL HG21 H 1 0.851 . . 1 . . . A 12 VAL HG21 . 36012 1 139 . 1 1 20 20 VAL HG22 H 1 0.851 . . 1 . . . A 12 VAL HG22 . 36012 1 140 . 1 1 20 20 VAL HG23 H 1 0.851 . . 1 . . . A 12 VAL HG23 . 36012 1 141 . 1 1 20 20 VAL CA C 13 61.749 . . 1 . . . A 12 VAL CA . 36012 1 142 . 1 1 20 20 VAL CB C 13 32.192 . . 1 . . . A 12 VAL CB . 36012 1 143 . 1 1 20 20 VAL CG1 C 13 21.360 . . 2 . . . A 12 VAL CG1 . 36012 1 144 . 1 1 20 20 VAL N N 15 125.270 . . 1 . . . A 12 VAL N . 36012 1 145 . 1 1 21 21 ILE H H 1 9.486 . . 1 . . . A 13 ILE H . 36012 1 146 . 1 1 21 21 ILE HA H 1 4.153 . . 1 . . . A 13 ILE HA . 36012 1 147 . 1 1 21 21 ILE HB H 1 1.675 . . 1 . . . A 13 ILE HB . 36012 1 148 . 1 1 21 21 ILE HG12 H 1 1.333 . . 2 . . . A 13 ILE HG12 . 36012 1 149 . 1 1 21 21 ILE HG13 H 1 1.333 . . 2 . . . A 13 ILE HG13 . 36012 1 150 . 1 1 21 21 ILE HG21 H 1 0.916 . . 1 . . . A 13 ILE HG21 . 36012 1 151 . 1 1 21 21 ILE HG22 H 1 0.916 . . 1 . . . A 13 ILE HG22 . 36012 1 152 . 1 1 21 21 ILE HG23 H 1 0.916 . . 1 . . . A 13 ILE HG23 . 36012 1 153 . 1 1 21 21 ILE HD11 H 1 0.744 . . 1 . . . A 13 ILE HD11 . 36012 1 154 . 1 1 21 21 ILE HD12 H 1 0.744 . . 1 . . . A 13 ILE HD12 . 36012 1 155 . 1 1 21 21 ILE HD13 H 1 0.744 . . 1 . . . A 13 ILE HD13 . 36012 1 156 . 1 1 21 21 ILE CA C 13 60.445 . . 1 . . . A 13 ILE CA . 36012 1 157 . 1 1 21 21 ILE CB C 13 40.195 . . 1 . . . A 13 ILE CB . 36012 1 158 . 1 1 21 21 ILE CG1 C 13 27.574 . . 1 . . . A 13 ILE CG1 . 36012 1 159 . 1 1 21 21 ILE CG2 C 13 14.815 . . 1 . . . A 13 ILE CG2 . 36012 1 160 . 1 1 21 21 ILE CD1 C 13 17.726 . . 1 . . . A 13 ILE CD1 . 36012 1 161 . 1 1 21 21 ILE N N 15 130.928 . . 1 . . . A 13 ILE N . 36012 1 162 . 1 1 22 22 GLN H H 1 8.803 . . 1 . . . A 14 GLN H . 36012 1 163 . 1 1 22 22 GLN HA H 1 5.062 . . 1 . . . A 14 GLN HA . 36012 1 164 . 1 1 22 22 GLN HB2 H 1 1.914 . . 2 . . . A 14 GLN HB2 . 36012 1 165 . 1 1 22 22 GLN HB3 H 1 2.323 . . 2 . . . A 14 GLN HB3 . 36012 1 166 . 1 1 22 22 GLN CA C 13 54.795 . . 1 . . . A 14 GLN CA . 36012 1 167 . 1 1 22 22 GLN CB C 13 29.601 . . 1 . . . A 14 GLN CB . 36012 1 168 . 1 1 22 22 GLN CG C 13 34.955 . . 1 . . . A 14 GLN CG . 36012 1 169 . 1 1 22 22 GLN N N 15 124.762 . . 1 . . . A 14 GLN N . 36012 1 170 . 1 1 23 23 ILE H H 1 9.076 . . 1 . . . A 15 ILE H . 36012 1 171 . 1 1 23 23 ILE HA H 1 4.513 . . 1 . . . A 15 ILE HA . 36012 1 172 . 1 1 23 23 ILE HB H 1 1.755 . . 1 . . . A 15 ILE HB . 36012 1 173 . 1 1 23 23 ILE HG12 H 1 1.125 . . 2 . . . A 15 ILE HG12 . 36012 1 174 . 1 1 23 23 ILE HG13 H 1 1.696 . . 2 . . . A 15 ILE HG13 . 36012 1 175 . 1 1 23 23 ILE HG21 H 1 0.904 . . 1 . . . A 15 ILE HG21 . 36012 1 176 . 1 1 23 23 ILE HG22 H 1 0.904 . . 1 . . . A 15 ILE HG22 . 36012 1 177 . 1 1 23 23 ILE HG23 H 1 0.904 . . 1 . . . A 15 ILE HG23 . 36012 1 178 . 1 1 23 23 ILE HD11 H 1 0.628 . . 1 . . . A 15 ILE HD11 . 36012 1 179 . 1 1 23 23 ILE HD12 H 1 0.628 . . 1 . . . A 15 ILE HD12 . 36012 1 180 . 1 1 23 23 ILE HD13 H 1 0.628 . . 1 . . . A 15 ILE HD13 . 36012 1 181 . 1 1 23 23 ILE CA C 13 59.639 . . 1 . . . A 15 ILE CA . 36012 1 182 . 1 1 23 23 ILE CB C 13 39.171 . . 1 . . . A 15 ILE CB . 36012 1 183 . 1 1 23 23 ILE CG1 C 13 26.624 . . 1 . . . A 15 ILE CG1 . 36012 1 184 . 1 1 23 23 ILE CG2 C 13 17.067 . . 1 . . . A 15 ILE CG2 . 36012 1 185 . 1 1 23 23 ILE N N 15 126.010 . . 1 . . . A 15 ILE N . 36012 1 186 . 1 1 24 24 THR H H 1 9.047 . . 1 . . . A 16 THR H . 36012 1 187 . 1 1 24 24 THR HA H 1 4.904 . . 1 . . . A 16 THR HA . 36012 1 188 . 1 1 24 24 THR HB H 1 4.458 . . 1 . . . A 16 THR HB . 36012 1 189 . 1 1 24 24 THR HG21 H 1 1.071 . . 1 . . . A 16 THR HG21 . 36012 1 190 . 1 1 24 24 THR HG22 H 1 1.071 . . 1 . . . A 16 THR HG22 . 36012 1 191 . 1 1 24 24 THR HG23 H 1 1.071 . . 1 . . . A 16 THR HG23 . 36012 1 192 . 1 1 24 24 THR CA C 13 61.462 . . 1 . . . A 16 THR CA . 36012 1 193 . 1 1 24 24 THR CB C 13 69.657 . . 1 . . . A 16 THR CB . 36012 1 194 . 1 1 24 24 THR CG2 C 13 21.108 . . 1 . . . A 16 THR CG2 . 36012 1 195 . 1 1 24 24 THR N N 15 118.074 . . 1 . . . A 16 THR N . 36012 1 196 . 1 1 25 25 SER H H 1 7.330 . . 1 . . . A 17 SER H . 36012 1 197 . 1 1 25 25 SER HA H 1 4.440 . . 1 . . . A 17 SER HA . 36012 1 198 . 1 1 25 25 SER HB2 H 1 3.748 . . 2 . . . A 17 SER HB2 . 36012 1 199 . 1 1 25 25 SER HB3 H 1 4.053 . . 2 . . . A 17 SER HB3 . 36012 1 200 . 1 1 25 25 SER CA C 13 58.002 . . 1 . . . A 17 SER CA . 36012 1 201 . 1 1 25 25 SER CB C 13 64.268 . . 1 . . . A 17 SER CB . 36012 1 202 . 1 1 25 25 SER N N 15 113.130 . . 1 . . . A 17 SER N . 36012 1 203 . 1 1 26 26 LEU H H 1 8.728 . . 1 . . . A 18 LEU H . 36012 1 204 . 1 1 26 26 LEU HA H 1 4.739 . . 1 . . . A 18 LEU HA . 36012 1 205 . 1 1 26 26 LEU HB2 H 1 1.436 . . 2 . . . A 18 LEU HB2 . 36012 1 206 . 1 1 26 26 LEU HB3 H 1 1.829 . . 2 . . . A 18 LEU HB3 . 36012 1 207 . 1 1 26 26 LEU HD11 H 1 0.624 . . 2 . . . A 18 LEU HD11 . 36012 1 208 . 1 1 26 26 LEU HD12 H 1 0.624 . . 2 . . . A 18 LEU HD12 . 36012 1 209 . 1 1 26 26 LEU HD13 H 1 0.624 . . 2 . . . A 18 LEU HD13 . 36012 1 210 . 1 1 26 26 LEU HD21 H 1 0.624 . . 2 . . . A 18 LEU HD21 . 36012 1 211 . 1 1 26 26 LEU HD22 H 1 0.624 . . 2 . . . A 18 LEU HD22 . 36012 1 212 . 1 1 26 26 LEU HD23 H 1 0.624 . . 2 . . . A 18 LEU HD23 . 36012 1 213 . 1 1 26 26 LEU CA C 13 53.858 . . 1 . . . A 18 LEU CA . 36012 1 214 . 1 1 26 26 LEU CB C 13 42.490 . . 1 . . . A 18 LEU CB . 36012 1 215 . 1 1 26 26 LEU CG C 13 26.703 . . 1 . . . A 18 LEU CG . 36012 1 216 . 1 1 26 26 LEU N N 15 123.241 . . 1 . . . A 18 LEU N . 36012 1 217 . 1 1 27 27 THR H H 1 9.363 . . 1 . . . A 19 THR H . 36012 1 218 . 1 1 27 27 THR HA H 1 4.816 . . 1 . . . A 19 THR HA . 36012 1 219 . 1 1 27 27 THR HB H 1 4.339 . . 1 . . . A 19 THR HB . 36012 1 220 . 1 1 27 27 THR HG21 H 1 0.846 . . 1 . . . A 19 THR HG21 . 36012 1 221 . 1 1 27 27 THR HG22 H 1 0.846 . . 1 . . . A 19 THR HG22 . 36012 1 222 . 1 1 27 27 THR HG23 H 1 0.846 . . 1 . . . A 19 THR HG23 . 36012 1 223 . 1 1 27 27 THR CA C 13 59.575 . . 1 . . . A 19 THR CA . 36012 1 224 . 1 1 27 27 THR CB C 13 72.043 . . 1 . . . A 19 THR CB . 36012 1 225 . 1 1 27 27 THR CG2 C 13 20.598 . . 1 . . . A 19 THR CG2 . 36012 1 226 . 1 1 27 27 THR N N 15 111.915 . . 1 . . . A 19 THR N . 36012 1 227 . 1 1 28 28 ASP H H 1 8.785 . . 1 . . . A 20 ASP H . 36012 1 228 . 1 1 28 28 ASP HA H 1 4.333 . . 1 . . . A 20 ASP HA . 36012 1 229 . 1 1 28 28 ASP HB2 H 1 2.739 . . 2 . . . A 20 ASP HB2 . 36012 1 230 . 1 1 28 28 ASP HB3 H 1 2.739 . . 2 . . . A 20 ASP HB3 . 36012 1 231 . 1 1 28 28 ASP CA C 13 55.729 . . 1 . . . A 20 ASP CA . 36012 1 232 . 1 1 28 28 ASP CB C 13 39.382 . . 1 . . . A 20 ASP CB . 36012 1 233 . 1 1 28 28 ASP N N 15 117.183 . . 1 . . . A 20 ASP N . 36012 1 234 . 1 1 29 29 ASP H H 1 7.775 . . 1 . . . A 21 ASP H . 36012 1 235 . 1 1 29 29 ASP HA H 1 4.674 . . 1 . . . A 21 ASP HA . 36012 1 236 . 1 1 29 29 ASP HB2 H 1 2.200 . . 2 . . . A 21 ASP HB2 . 36012 1 237 . 1 1 29 29 ASP HB3 H 1 2.485 . . 2 . . . A 21 ASP HB3 . 36012 1 238 . 1 1 29 29 ASP CA C 13 54.770 . . 1 . . . A 21 ASP CA . 36012 1 239 . 1 1 29 29 ASP CB C 13 42.294 . . 1 . . . A 21 ASP CB . 36012 1 240 . 1 1 29 29 ASP N N 15 116.327 . . 1 . . . A 21 ASP N . 36012 1 241 . 1 1 30 30 ASN H H 1 7.829 . . 1 . . . A 22 ASN H . 36012 1 242 . 1 1 30 30 ASN HA H 1 4.892 . . 1 . . . A 22 ASN HA . 36012 1 243 . 1 1 30 30 ASN HB2 H 1 2.897 . . 2 . . . A 22 ASN HB2 . 36012 1 244 . 1 1 30 30 ASN CA C 13 55.810 . . 1 . . . A 22 ASN CA . 36012 1 245 . 1 1 30 30 ASN CB C 13 41.101 . . 1 . . . A 22 ASN CB . 36012 1 246 . 1 1 30 30 ASN N N 15 117.269 . . 1 . . . A 22 ASN N . 36012 1 247 . 1 1 31 31 THR H H 1 9.145 . . 1 . . . A 23 THR H . 36012 1 248 . 1 1 31 31 THR HA H 1 5.206 . . 1 . . . A 23 THR HA . 36012 1 249 . 1 1 31 31 THR HB H 1 4.839 . . 1 . . . A 23 THR HB . 36012 1 250 . 1 1 31 31 THR HG21 H 1 1.150 . . 1 . . . A 23 THR HG21 . 36012 1 251 . 1 1 31 31 THR HG22 H 1 1.150 . . 1 . . . A 23 THR HG22 . 36012 1 252 . 1 1 31 31 THR HG23 H 1 1.150 . . 1 . . . A 23 THR HG23 . 36012 1 253 . 1 1 31 31 THR CA C 13 59.830 . . 1 . . . A 23 THR CA . 36012 1 254 . 1 1 31 31 THR CB C 13 72.396 . . 1 . . . A 23 THR CB . 36012 1 255 . 1 1 31 31 THR CG2 C 13 21.306 . . 1 . . . A 23 THR CG2 . 36012 1 256 . 1 1 31 31 THR N N 15 108.639 . . 1 . . . A 23 THR N . 36012 1 257 . 1 1 32 32 ILE H H 1 8.477 . . 1 . . . A 24 ILE H . 36012 1 258 . 1 1 32 32 ILE HA H 1 3.686 . . 1 . . . A 24 ILE HA . 36012 1 259 . 1 1 32 32 ILE HB H 1 2.689 . . 1 . . . A 24 ILE HB . 36012 1 260 . 1 1 32 32 ILE HG12 H 1 1.784 . . 2 . . . A 24 ILE HG12 . 36012 1 261 . 1 1 32 32 ILE HG13 H 1 1.288 . . 2 . . . A 24 ILE HG13 . 36012 1 262 . 1 1 32 32 ILE HG21 H 1 0.683 . . 1 . . . A 24 ILE HG21 . 36012 1 263 . 1 1 32 32 ILE HG22 H 1 0.683 . . 1 . . . A 24 ILE HG22 . 36012 1 264 . 1 1 32 32 ILE HG23 H 1 0.683 . . 1 . . . A 24 ILE HG23 . 36012 1 265 . 1 1 32 32 ILE HD11 H 1 0.524 . . 1 . . . A 24 ILE HD11 . 36012 1 266 . 1 1 32 32 ILE HD12 H 1 0.524 . . 1 . . . A 24 ILE HD12 . 36012 1 267 . 1 1 32 32 ILE HD13 H 1 0.524 . . 1 . . . A 24 ILE HD13 . 36012 1 268 . 1 1 32 32 ILE CA C 13 61.580 . . 1 . . . A 24 ILE CA . 36012 1 269 . 1 1 32 32 ILE CB C 13 33.344 . . 1 . . . A 24 ILE CB . 36012 1 270 . 1 1 32 32 ILE CG1 C 13 27.055 . . 1 . . . A 24 ILE CG1 . 36012 1 271 . 1 1 32 32 ILE CG2 C 13 17.338 . . 1 . . . A 24 ILE CG2 . 36012 1 272 . 1 1 32 32 ILE CD1 C 13 9.259 . . 1 . . . A 24 ILE CD1 . 36012 1 273 . 1 1 32 32 ILE N N 15 120.336 . . 1 . . . A 24 ILE N . 36012 1 274 . 1 1 33 33 ALA H H 1 8.951 . . 1 . . . A 25 ALA H . 36012 1 275 . 1 1 33 33 ALA HA H 1 3.871 . . 1 . . . A 25 ALA HA . 36012 1 276 . 1 1 33 33 ALA HB1 H 1 1.417 . . 1 . . . A 25 ALA HB1 . 36012 1 277 . 1 1 33 33 ALA HB2 H 1 1.389 . . 1 . . . A 25 ALA HB2 . 36012 1 278 . 1 1 33 33 ALA HB3 H 1 1.389 . . 1 . . . A 25 ALA HB3 . 36012 1 279 . 1 1 33 33 ALA CA C 13 55.956 . . 1 . . . A 25 ALA CA . 36012 1 280 . 1 1 33 33 ALA CB C 13 18.160 . . 1 . . . A 25 ALA CB . 36012 1 281 . 1 1 33 33 ALA N N 15 123.489 . . 1 . . . A 25 ALA N . 36012 1 282 . 1 1 34 34 GLU H H 1 7.988 . . 1 . . . A 26 GLU H . 36012 1 283 . 1 1 34 34 GLU HA H 1 4.015 . . 1 . . . A 26 GLU HA . 36012 1 284 . 1 1 34 34 GLU HB2 H 1 1.838 . . 2 . . . A 26 GLU HB2 . 36012 1 285 . 1 1 34 34 GLU HB3 H 1 2.624 . . 2 . . . A 26 GLU HB3 . 36012 1 286 . 1 1 34 34 GLU HG2 H 1 2.184 . . 2 . . . A 26 GLU HG2 . 36012 1 287 . 1 1 34 34 GLU HG3 H 1 2.460 . . 2 . . . A 26 GLU HG3 . 36012 1 288 . 1 1 34 34 GLU CA C 13 59.351 . . 1 . . . A 26 GLU CA . 36012 1 289 . 1 1 34 34 GLU CB C 13 28.722 . . 1 . . . A 26 GLU CB . 36012 1 290 . 1 1 34 34 GLU CG C 13 38.179 . . 1 . . . A 26 GLU CG . 36012 1 291 . 1 1 34 34 GLU N N 15 120.101 . . 1 . . . A 26 GLU N . 36012 1 292 . 1 1 35 35 LEU H H 1 8.083 . . 1 . . . A 27 LEU H . 36012 1 293 . 1 1 35 35 LEU HA H 1 4.033 . . 1 . . . A 27 LEU HA . 36012 1 294 . 1 1 35 35 LEU HB2 H 1 1.179 . . 2 . . . A 27 LEU HB2 . 36012 1 295 . 1 1 35 35 LEU HB3 H 1 2.281 . . 2 . . . A 27 LEU HB3 . 36012 1 296 . 1 1 35 35 LEU HD11 H 1 0.533 . . 1 . . . A 27 LEU HD11 . 36012 1 297 . 1 1 35 35 LEU HD12 H 1 0.533 . . 1 . . . A 27 LEU HD12 . 36012 1 298 . 1 1 35 35 LEU HD13 H 1 0.533 . . 1 . . . A 27 LEU HD13 . 36012 1 299 . 1 1 35 35 LEU HD21 H 1 0.751 . . 1 . . . A 27 LEU HD21 . 36012 1 300 . 1 1 35 35 LEU HD22 H 1 0.751 . . 1 . . . A 27 LEU HD22 . 36012 1 301 . 1 1 35 35 LEU HD23 H 1 0.751 . . 1 . . . A 27 LEU HD23 . 36012 1 302 . 1 1 35 35 LEU CA C 13 58.662 . . 1 . . . A 27 LEU CA . 36012 1 303 . 1 1 35 35 LEU CB C 13 40.157 . . 1 . . . A 27 LEU CB . 36012 1 304 . 1 1 35 35 LEU CG C 13 27.395 . . 1 . . . A 27 LEU CG . 36012 1 305 . 1 1 35 35 LEU CD2 C 13 23.022 . . 2 . . . A 27 LEU CD2 . 36012 1 306 . 1 1 35 35 LEU N N 15 124.025 . . 1 . . . A 27 LEU N . 36012 1 307 . 1 1 36 36 LYS H H 1 8.746 . . 1 . . . A 28 LYS H . 36012 1 308 . 1 1 36 36 LYS HA H 1 3.799 . . 1 . . . A 28 LYS HA . 36012 1 309 . 1 1 36 36 LYS HB2 H 1 1.775 . . 2 . . . A 28 LYS HB2 . 36012 1 310 . 1 1 36 36 LYS HB3 H 1 2.048 . . 2 . . . A 28 LYS HB3 . 36012 1 311 . 1 1 36 36 LYS HD2 H 1 1.627 . . 2 . . . A 28 LYS HD2 . 36012 1 312 . 1 1 36 36 LYS HD3 H 1 1.695 . . 2 . . . A 28 LYS HD3 . 36012 1 313 . 1 1 36 36 LYS CA C 13 61.510 . . 1 . . . A 28 LYS CA . 36012 1 314 . 1 1 36 36 LYS CB C 13 31.848 . . 1 . . . A 28 LYS CB . 36012 1 315 . 1 1 36 36 LYS CG C 13 27.841 . . 1 . . . A 28 LYS CG . 36012 1 316 . 1 1 36 36 LYS CD C 13 29.947 . . 1 . . . A 28 LYS CD . 36012 1 317 . 1 1 36 36 LYS N N 15 119.471 . . 1 . . . A 28 LYS N . 36012 1 318 . 1 1 37 37 GLY H H 1 8.096 . . 1 . . . A 29 GLY H . 36012 1 319 . 1 1 37 37 GLY HA2 H 1 3.908 . . 2 . . . A 29 GLY HA2 . 36012 1 320 . 1 1 37 37 GLY CA C 13 47.042 . . 1 . . . A 29 GLY CA . 36012 1 321 . 1 1 37 37 GLY N N 15 106.034 . . 1 . . . A 29 GLY N . 36012 1 322 . 1 1 38 38 LYS H H 1 7.704 . . 1 . . . A 30 LYS H . 36012 1 323 . 1 1 38 38 LYS HA H 1 4.237 . . 1 . . . A 30 LYS HA . 36012 1 324 . 1 1 38 38 LYS HB2 H 1 1.929 . . 2 . . . A 30 LYS HB2 . 36012 1 325 . 1 1 38 38 LYS HB3 H 1 2.192 . . 2 . . . A 30 LYS HB3 . 36012 1 326 . 1 1 38 38 LYS HG2 H 1 1.679 . . 2 . . . A 30 LYS HG2 . 36012 1 327 . 1 1 38 38 LYS HG3 H 1 1.679 . . 2 . . . A 30 LYS HG3 . 36012 1 328 . 1 1 38 38 LYS HD2 H 1 1.335 . . 2 . . . A 30 LYS HD2 . 36012 1 329 . 1 1 38 38 LYS HD3 H 1 1.335 . . 2 . . . A 30 LYS HD3 . 36012 1 330 . 1 1 38 38 LYS CA C 13 57.342 . . 1 . . . A 30 LYS CA . 36012 1 331 . 1 1 38 38 LYS CB C 13 30.533 . . 1 . . . A 30 LYS CB . 36012 1 332 . 1 1 38 38 LYS CG C 13 24.154 . . 1 . . . A 30 LYS CG . 36012 1 333 . 1 1 38 38 LYS CD C 13 27.674 . . 1 . . . A 30 LYS CD . 36012 1 334 . 1 1 38 38 LYS N N 15 121.196 . . 1 . . . A 30 LYS N . 36012 1 335 . 1 1 39 39 LEU H H 1 7.948 . . 1 . . . A 31 LEU H . 36012 1 336 . 1 1 39 39 LEU HA H 1 4.295 . . 1 . . . A 31 LEU HA . 36012 1 337 . 1 1 39 39 LEU HB2 H 1 1.191 . . 2 . . . A 31 LEU HB2 . 36012 1 338 . 1 1 39 39 LEU HB3 H 1 2.052 . . 2 . . . A 31 LEU HB3 . 36012 1 339 . 1 1 39 39 LEU HD11 H 1 0.798 . . 2 . . . A 31 LEU HD11 . 36012 1 340 . 1 1 39 39 LEU HD12 H 1 0.798 . . 2 . . . A 31 LEU HD12 . 36012 1 341 . 1 1 39 39 LEU HD13 H 1 0.798 . . 2 . . . A 31 LEU HD13 . 36012 1 342 . 1 1 39 39 LEU HD21 H 1 0.798 . . 2 . . . A 31 LEU HD21 . 36012 1 343 . 1 1 39 39 LEU HD22 H 1 0.798 . . 2 . . . A 31 LEU HD22 . 36012 1 344 . 1 1 39 39 LEU HD23 H 1 0.798 . . 2 . . . A 31 LEU HD23 . 36012 1 345 . 1 1 39 39 LEU CA C 13 57.282 . . 1 . . . A 31 LEU CA . 36012 1 346 . 1 1 39 39 LEU CB C 13 42.192 . . 1 . . . A 31 LEU CB . 36012 1 347 . 1 1 39 39 LEU CG C 13 27.207 . . 1 . . . A 31 LEU CG . 36012 1 348 . 1 1 39 39 LEU N N 15 121.657 . . 1 . . . A 31 LEU N . 36012 1 349 . 1 1 40 40 GLU H H 1 8.714 . . 1 . . . A 32 GLU H . 36012 1 350 . 1 1 40 40 GLU HA H 1 4.354 . . 1 . . . A 32 GLU HA . 36012 1 351 . 1 1 40 40 GLU HB2 H 1 2.187 . . 2 . . . A 32 GLU HB2 . 36012 1 352 . 1 1 40 40 GLU HB3 H 1 2.287 . . 2 . . . A 32 GLU HB3 . 36012 1 353 . 1 1 40 40 GLU HG2 H 1 1.928 . . 2 . . . A 32 GLU HG2 . 36012 1 354 . 1 1 40 40 GLU HG3 H 1 1.928 . . 2 . . . A 32 GLU HG3 . 36012 1 355 . 1 1 40 40 GLU CA C 13 59.304 . . 1 . . . A 32 GLU CA . 36012 1 356 . 1 1 40 40 GLU CB C 13 29.339 . . 1 . . . A 32 GLU CB . 36012 1 357 . 1 1 40 40 GLU CG C 13 35.942 . . 1 . . . A 32 GLU CG . 36012 1 358 . 1 1 40 40 GLU N N 15 123.295 . . 1 . . . A 32 GLU N . 36012 1 359 . 1 1 41 41 GLU H H 1 7.470 . . 1 . . . A 33 GLU H . 36012 1 360 . 1 1 41 41 GLU HA H 1 3.986 . . 1 . . . A 33 GLU HA . 36012 1 361 . 1 1 41 41 GLU HB2 H 1 2.160 . . 2 . . . A 33 GLU HB2 . 36012 1 362 . 1 1 41 41 GLU HB3 H 1 2.408 . . 2 . . . A 33 GLU HB3 . 36012 1 363 . 1 1 41 41 GLU CA C 13 59.142 . . 1 . . . A 33 GLU CA . 36012 1 364 . 1 1 41 41 GLU CB C 13 29.602 . . 1 . . . A 33 GLU CB . 36012 1 365 . 1 1 41 41 GLU CG C 13 36.014 . . 1 . . . A 33 GLU CG . 36012 1 366 . 1 1 41 41 GLU N N 15 118.296 . . 1 . . . A 33 GLU N . 36012 1 367 . 1 1 42 42 SER H H 1 8.054 . . 1 . . . A 34 SER H . 36012 1 368 . 1 1 42 42 SER HB2 H 1 3.919 . . 2 . . . A 34 SER HB2 . 36012 1 369 . 1 1 42 42 SER HB3 H 1 4.252 . . 2 . . . A 34 SER HB3 . 36012 1 370 . 1 1 42 42 SER CA C 13 61.150 . . 1 . . . A 34 SER CA . 36012 1 371 . 1 1 42 42 SER CB C 13 63.578 . . 1 . . . A 34 SER CB . 36012 1 372 . 1 1 42 42 SER N N 15 112.266 . . 1 . . . A 34 SER N . 36012 1 373 . 1 1 43 43 GLU H H 1 8.908 . . 1 . . . A 35 GLU H . 36012 1 374 . 1 1 43 43 GLU HA H 1 4.367 . . 1 . . . A 35 GLU HA . 36012 1 375 . 1 1 43 43 GLU HB2 H 1 1.777 . . 2 . . . A 35 GLU HB2 . 36012 1 376 . 1 1 43 43 GLU HB3 H 1 2.246 . . 2 . . . A 35 GLU HB3 . 36012 1 377 . 1 1 43 43 GLU HG2 H 1 2.052 . . 2 . . . A 35 GLU HG2 . 36012 1 378 . 1 1 43 43 GLU HG3 H 1 2.347 . . 2 . . . A 35 GLU HG3 . 36012 1 379 . 1 1 43 43 GLU CA C 13 55.056 . . 1 . . . A 35 GLU CA . 36012 1 380 . 1 1 43 43 GLU CB C 13 30.544 . . 1 . . . A 35 GLU CB . 36012 1 381 . 1 1 43 43 GLU CG C 13 36.868 . . 1 . . . A 35 GLU CG . 36012 1 382 . 1 1 43 43 GLU N N 15 116.449 . . 1 . . . A 35 GLU N . 36012 1 383 . 1 1 44 44 GLY H H 1 7.930 . . 1 . . . A 36 GLY H . 36012 1 384 . 1 1 44 44 GLY HA2 H 1 3.899 . . 2 . . . A 36 GLY HA2 . 36012 1 385 . 1 1 44 44 GLY HA3 H 1 3.899 . . 2 . . . A 36 GLY HA3 . 36012 1 386 . 1 1 44 44 GLY CA C 13 46.424 . . 1 . . . A 36 GLY CA . 36012 1 387 . 1 1 44 44 GLY N N 15 108.168 . . 1 . . . A 36 GLY N . 36012 1 388 . 1 1 45 45 ILE H H 1 6.446 . . 1 . . . A 37 ILE H . 36012 1 389 . 1 1 45 45 ILE CA C 13 56.730 . . 1 . . . A 37 ILE CA . 36012 1 390 . 1 1 45 45 ILE CB C 13 41.219 . . 1 . . . A 37 ILE CB . 36012 1 391 . 1 1 45 45 ILE N N 15 120.326 . . 1 . . . A 37 ILE N . 36012 1 392 . 1 1 46 46 PRO HA H 1 4.176 . . 1 . . . A 38 PRO HA . 36012 1 393 . 1 1 46 46 PRO HB2 H 1 1.881 . . 2 . . . A 38 PRO HB2 . 36012 1 394 . 1 1 46 46 PRO HB3 H 1 2.290 . . 2 . . . A 38 PRO HB3 . 36012 1 395 . 1 1 46 46 PRO HG2 H 1 2.018 . . 2 . . . A 38 PRO HG2 . 36012 1 396 . 1 1 46 46 PRO HG3 H 1 2.018 . . 2 . . . A 38 PRO HG3 . 36012 1 397 . 1 1 46 46 PRO HD2 H 1 3.564 . . 2 . . . A 38 PRO HD2 . 36012 1 398 . 1 1 46 46 PRO HD3 H 1 3.848 . . 2 . . . A 38 PRO HD3 . 36012 1 399 . 1 1 46 46 PRO CA C 13 63.018 . . 1 . . . A 38 PRO CA . 36012 1 400 . 1 1 46 46 PRO CB C 13 32.159 . . 1 . . . A 38 PRO CB . 36012 1 401 . 1 1 46 46 PRO CG C 13 27.645 . . 1 . . . A 38 PRO CG . 36012 1 402 . 1 1 46 46 PRO CD C 13 50.462 . . 1 . . . A 38 PRO CD . 36012 1 403 . 1 1 47 47 GLY H H 1 9.228 . . 1 . . . A 39 GLY H . 36012 1 404 . 1 1 47 47 GLY HA2 H 1 3.579 . . 2 . . . A 39 GLY HA2 . 36012 1 405 . 1 1 47 47 GLY HA3 H 1 3.873 . . 2 . . . A 39 GLY HA3 . 36012 1 406 . 1 1 47 47 GLY CA C 13 47.606 . . 1 . . . A 39 GLY CA . 36012 1 407 . 1 1 47 47 GLY N N 15 111.710 . . 1 . . . A 39 GLY N . 36012 1 408 . 1 1 48 48 ASN H H 1 8.325 . . 1 . . . A 40 ASN H . 36012 1 409 . 1 1 48 48 ASN HA H 1 4.512 . . 1 . . . A 40 ASN HA . 36012 1 410 . 1 1 48 48 ASN HB2 H 1 2.765 . . 2 . . . A 40 ASN HB2 . 36012 1 411 . 1 1 48 48 ASN HB3 H 1 2.985 . . 2 . . . A 40 ASN HB3 . 36012 1 412 . 1 1 48 48 ASN CA C 13 54.473 . . 1 . . . A 40 ASN CA . 36012 1 413 . 1 1 48 48 ASN CB C 13 36.510 . . 1 . . . A 40 ASN CB . 36012 1 414 . 1 1 48 48 ASN N N 15 114.967 . . 1 . . . A 40 ASN N . 36012 1 415 . 1 1 49 49 MET H H 1 8.247 . . 1 . . . A 41 MET H . 36012 1 416 . 1 1 49 49 MET HA H 1 4.557 . . 1 . . . A 41 MET HA . 36012 1 417 . 1 1 49 49 MET HB2 H 1 1.994 . . 2 . . . A 41 MET HB2 . 36012 1 418 . 1 1 49 49 MET HB3 H 1 2.344 . . 2 . . . A 41 MET HB3 . 36012 1 419 . 1 1 49 49 MET HG2 H 1 2.453 . . 2 . . . A 41 MET HG2 . 36012 1 420 . 1 1 49 49 MET HG3 H 1 2.535 . . 2 . . . A 41 MET HG3 . 36012 1 421 . 1 1 49 49 MET CA C 13 54.886 . . 1 . . . A 41 MET CA . 36012 1 422 . 1 1 49 49 MET CB C 13 32.632 . . 1 . . . A 41 MET CB . 36012 1 423 . 1 1 49 49 MET CG C 13 32.280 . . 1 . . . A 41 MET CG . 36012 1 424 . 1 1 49 49 MET N N 15 118.446 . . 1 . . . A 41 MET N . 36012 1 425 . 1 1 50 50 ILE H H 1 7.422 . . 1 . . . A 42 ILE H . 36012 1 426 . 1 1 50 50 ILE HA H 1 4.096 . . 1 . . . A 42 ILE HA . 36012 1 427 . 1 1 50 50 ILE HB H 1 1.848 . . 1 . . . A 42 ILE HB . 36012 1 428 . 1 1 50 50 ILE HG21 H 1 0.740 . . 1 . . . A 42 ILE HG21 . 36012 1 429 . 1 1 50 50 ILE HG22 H 1 0.740 . . 1 . . . A 42 ILE HG22 . 36012 1 430 . 1 1 50 50 ILE HG23 H 1 0.740 . . 1 . . . A 42 ILE HG23 . 36012 1 431 . 1 1 50 50 ILE HD11 H 1 0.562 . . 1 . . . A 42 ILE HD11 . 36012 1 432 . 1 1 50 50 ILE HD12 H 1 0.562 . . 1 . . . A 42 ILE HD12 . 36012 1 433 . 1 1 50 50 ILE HD13 H 1 0.562 . . 1 . . . A 42 ILE HD13 . 36012 1 434 . 1 1 50 50 ILE CA C 13 62.749 . . 1 . . . A 42 ILE CA . 36012 1 435 . 1 1 50 50 ILE CB C 13 39.436 . . 1 . . . A 42 ILE CB . 36012 1 436 . 1 1 50 50 ILE CG1 C 13 27.773 . . 1 . . . A 42 ILE CG1 . 36012 1 437 . 1 1 50 50 ILE CG2 C 13 17.816 . . 1 . . . A 42 ILE CG2 . 36012 1 438 . 1 1 50 50 ILE N N 15 119.569 . . 1 . . . A 42 ILE N . 36012 1 439 . 1 1 51 51 ARG H H 1 8.967 . . 1 . . . A 43 ARG H . 36012 1 440 . 1 1 51 51 ARG HA H 1 4.580 . . 1 . . . A 43 ARG HA . 36012 1 441 . 1 1 51 51 ARG HB2 H 1 1.625 . . 2 . . . A 43 ARG HB2 . 36012 1 442 . 1 1 51 51 ARG HB3 H 1 1.758 . . 2 . . . A 43 ARG HB3 . 36012 1 443 . 1 1 51 51 ARG HG2 H 1 1.552 . . 2 . . . A 43 ARG HG2 . 36012 1 444 . 1 1 51 51 ARG HG3 H 1 1.552 . . 2 . . . A 43 ARG HG3 . 36012 1 445 . 1 1 51 51 ARG HD2 H 1 3.045 . . 2 . . . A 43 ARG HD2 . 36012 1 446 . 1 1 51 51 ARG HD3 H 1 3.045 . . 2 . . . A 43 ARG HD3 . 36012 1 447 . 1 1 51 51 ARG CA C 13 53.962 . . 1 . . . A 43 ARG CA . 36012 1 448 . 1 1 51 51 ARG CB C 13 31.029 . . 1 . . . A 43 ARG CB . 36012 1 449 . 1 1 51 51 ARG CG C 13 27.195 . . 1 . . . A 43 ARG CG . 36012 1 450 . 1 1 51 51 ARG CD C 13 43.112 . . 1 . . . A 43 ARG CD . 36012 1 451 . 1 1 51 51 ARG N N 15 127.179 . . 1 . . . A 43 ARG N . 36012 1 452 . 1 1 52 52 LEU H H 1 8.603 . . 1 . . . A 44 LEU H . 36012 1 453 . 1 1 52 52 LEU HA H 1 5.407 . . 1 . . . A 44 LEU HA . 36012 1 454 . 1 1 52 52 LEU HB2 H 1 1.066 . . 2 . . . A 44 LEU HB2 . 36012 1 455 . 1 1 52 52 LEU HB3 H 1 1.430 . . 2 . . . A 44 LEU HB3 . 36012 1 456 . 1 1 52 52 LEU HD11 H 1 0.698 . . 1 . . . A 44 LEU HD11 . 36012 1 457 . 1 1 52 52 LEU HD12 H 1 0.698 . . 1 . . . A 44 LEU HD12 . 36012 1 458 . 1 1 52 52 LEU HD13 H 1 0.698 . . 1 . . . A 44 LEU HD13 . 36012 1 459 . 1 1 52 52 LEU CA C 13 52.695 . . 1 . . . A 44 LEU CA . 36012 1 460 . 1 1 52 52 LEU CB C 13 46.655 . . 1 . . . A 44 LEU CB . 36012 1 461 . 1 1 52 52 LEU CG C 13 26.527 . . 1 . . . A 44 LEU CG . 36012 1 462 . 1 1 52 52 LEU CD2 C 13 23.810 . . 2 . . . A 44 LEU CD2 . 36012 1 463 . 1 1 52 52 LEU N N 15 122.639 . . 1 . . . A 44 LEU N . 36012 1 464 . 1 1 53 53 VAL H H 1 8.960 . . 1 . . . A 45 VAL H . 36012 1 465 . 1 1 53 53 VAL HA H 1 4.708 . . 1 . . . A 45 VAL HA . 36012 1 466 . 1 1 53 53 VAL HB H 1 1.834 . . 1 . . . A 45 VAL HB . 36012 1 467 . 1 1 53 53 VAL HG11 H 1 0.715 . . 2 . . . A 45 VAL HG11 . 36012 1 468 . 1 1 53 53 VAL HG12 H 1 0.715 . . 2 . . . A 45 VAL HG12 . 36012 1 469 . 1 1 53 53 VAL HG13 H 1 0.715 . . 2 . . . A 45 VAL HG13 . 36012 1 470 . 1 1 53 53 VAL HG21 H 1 0.715 . . 2 . . . A 45 VAL HG21 . 36012 1 471 . 1 1 53 53 VAL HG22 H 1 0.715 . . 2 . . . A 45 VAL HG22 . 36012 1 472 . 1 1 53 53 VAL HG23 H 1 0.715 . . 2 . . . A 45 VAL HG23 . 36012 1 473 . 1 1 53 53 VAL CA C 13 60.583 . . 1 . . . A 45 VAL CA . 36012 1 474 . 1 1 53 53 VAL CB C 13 34.601 . . 1 . . . A 45 VAL CB . 36012 1 475 . 1 1 53 53 VAL CG1 C 13 20.996 . . 2 . . . A 45 VAL CG1 . 36012 1 476 . 1 1 53 53 VAL N N 15 121.931 . . 1 . . . A 45 VAL N . 36012 1 477 . 1 1 54 54 TYR H H 1 8.879 . . 1 . . . A 46 TYR H . 36012 1 478 . 1 1 54 54 TYR HA H 1 5.089 . . 1 . . . A 46 TYR HA . 36012 1 479 . 1 1 54 54 TYR HB2 H 1 2.566 . . 2 . . . A 46 TYR HB2 . 36012 1 480 . 1 1 54 54 TYR HB3 H 1 2.608 . . 2 . . . A 46 TYR HB3 . 36012 1 481 . 1 1 54 54 TYR CA C 13 56.075 . . 1 . . . A 46 TYR CA . 36012 1 482 . 1 1 54 54 TYR CB C 13 41.669 . . 1 . . . A 46 TYR CB . 36012 1 483 . 1 1 54 54 TYR N N 15 126.384 . . 1 . . . A 46 TYR N . 36012 1 484 . 1 1 55 55 GLN H H 1 9.323 . . 1 . . . A 47 GLN H . 36012 1 485 . 1 1 55 55 GLN HA H 1 3.656 . . 1 . . . A 47 GLN HA . 36012 1 486 . 1 1 55 55 GLN HB2 H 1 1.634 . . 2 . . . A 47 GLN HB2 . 36012 1 487 . 1 1 55 55 GLN HB3 H 1 1.882 . . 2 . . . A 47 GLN HB3 . 36012 1 488 . 1 1 55 55 GLN HG2 H 1 1.177 . . 2 . . . A 47 GLN HG2 . 36012 1 489 . 1 1 55 55 GLN HG3 H 1 1.177 . . 2 . . . A 47 GLN HG3 . 36012 1 490 . 1 1 55 55 GLN CA C 13 56.274 . . 1 . . . A 47 GLN CA . 36012 1 491 . 1 1 55 55 GLN CB C 13 25.441 . . 1 . . . A 47 GLN CB . 36012 1 492 . 1 1 55 55 GLN CG C 13 32.889 . . 1 . . . A 47 GLN CG . 36012 1 493 . 1 1 55 55 GLN N N 15 127.041 . . 1 . . . A 47 GLN N . 36012 1 494 . 1 1 56 56 GLY H H 1 8.358 . . 1 . . . A 48 GLY H . 36012 1 495 . 1 1 56 56 GLY HA2 H 1 3.423 . . 2 . . . A 48 GLY HA2 . 36012 1 496 . 1 1 56 56 GLY HA3 H 1 4.065 . . 2 . . . A 48 GLY HA3 . 36012 1 497 . 1 1 56 56 GLY CA C 13 45.373 . . 1 . . . A 48 GLY CA . 36012 1 498 . 1 1 56 56 GLY N N 15 102.991 . . 1 . . . A 48 GLY N . 36012 1 499 . 1 1 57 57 LYS H H 1 7.819 . . 1 . . . A 49 LYS H . 36012 1 500 . 1 1 57 57 LYS HA H 1 4.617 . . 1 . . . A 49 LYS HA . 36012 1 501 . 1 1 57 57 LYS HB2 H 1 1.446 . . 2 . . . A 49 LYS HB2 . 36012 1 502 . 1 1 57 57 LYS HB3 H 1 1.852 . . 2 . . . A 49 LYS HB3 . 36012 1 503 . 1 1 57 57 LYS HE2 H 1 3.096 . . 2 . . . A 49 LYS HE2 . 36012 1 504 . 1 1 57 57 LYS HE3 H 1 3.053 . . 2 . . . A 49 LYS HE3 . 36012 1 505 . 1 1 57 57 LYS CA C 13 54.340 . . 1 . . . A 49 LYS CA . 36012 1 506 . 1 1 57 57 LYS CB C 13 34.201 . . 1 . . . A 49 LYS CB . 36012 1 507 . 1 1 57 57 LYS CG C 13 24.153 . . 1 . . . A 49 LYS CG . 36012 1 508 . 1 1 57 57 LYS CD C 13 29.026 . . 1 . . . A 49 LYS CD . 36012 1 509 . 1 1 57 57 LYS N N 15 121.595 . . 1 . . . A 49 LYS N . 36012 1 510 . 1 1 58 58 GLN H H 1 8.757 . . 1 . . . A 50 GLN H . 36012 1 511 . 1 1 58 58 GLN HA H 1 4.585 . . 1 . . . A 50 GLN HA . 36012 1 512 . 1 1 58 58 GLN HB2 H 1 1.993 . . 2 . . . A 50 GLN HB2 . 36012 1 513 . 1 1 58 58 GLN HB3 H 1 2.320 . . 2 . . . A 50 GLN HB3 . 36012 1 514 . 1 1 58 58 GLN CA C 13 55.778 . . 1 . . . A 50 GLN CA . 36012 1 515 . 1 1 58 58 GLN CB C 13 28.701 . . 1 . . . A 50 GLN CB . 36012 1 516 . 1 1 58 58 GLN CG C 13 34.664 . . 1 . . . A 50 GLN CG . 36012 1 517 . 1 1 58 58 GLN N N 15 122.484 . . 1 . . . A 50 GLN N . 36012 1 518 . 1 1 59 59 LEU H H 1 8.442 . . 1 . . . A 51 LEU H . 36012 1 519 . 1 1 59 59 LEU HA H 1 4.300 . . 1 . . . A 51 LEU HA . 36012 1 520 . 1 1 59 59 LEU HB2 H 1 0.999 . . 2 . . . A 51 LEU HB2 . 36012 1 521 . 1 1 59 59 LEU HB3 H 1 1.363 . . 2 . . . A 51 LEU HB3 . 36012 1 522 . 1 1 59 59 LEU HG H 1 1.272 . . 1 . . . A 51 LEU HG . 36012 1 523 . 1 1 59 59 LEU CA C 13 54.139 . . 1 . . . A 51 LEU CA . 36012 1 524 . 1 1 59 59 LEU CB C 13 42.225 . . 1 . . . A 51 LEU CB . 36012 1 525 . 1 1 59 59 LEU CD1 C 13 25.107 . . 2 . . . A 51 LEU CD1 . 36012 1 526 . 1 1 59 59 LEU CD2 C 13 20.660 . . 2 . . . A 51 LEU CD2 . 36012 1 527 . 1 1 59 59 LEU N N 15 125.130 . . 1 . . . A 51 LEU N . 36012 1 528 . 1 1 60 60 GLU H H 1 8.125 . . 1 . . . A 52 GLU H . 36012 1 529 . 1 1 60 60 GLU HA H 1 4.459 . . 1 . . . A 52 GLU HA . 36012 1 530 . 1 1 60 60 GLU HB2 H 1 1.951 . . 2 . . . A 52 GLU HB2 . 36012 1 531 . 1 1 60 60 GLU HB3 H 1 2.241 . . 2 . . . A 52 GLU HB3 . 36012 1 532 . 1 1 60 60 GLU HG2 H 1 2.296 . . 2 . . . A 52 GLU HG2 . 36012 1 533 . 1 1 60 60 GLU HG3 H 1 2.296 . . 2 . . . A 52 GLU HG3 . 36012 1 534 . 1 1 60 60 GLU CA C 13 56.110 . . 1 . . . A 52 GLU CA . 36012 1 535 . 1 1 60 60 GLU CB C 13 31.046 . . 1 . . . A 52 GLU CB . 36012 1 536 . 1 1 60 60 GLU CG C 13 36.202 . . 1 . . . A 52 GLU CG . 36012 1 537 . 1 1 60 60 GLU N N 15 122.551 . . 1 . . . A 52 GLU N . 36012 1 538 . 1 1 61 61 ASP H H 1 8.346 . . 1 . . . A 53 ASP H . 36012 1 539 . 1 1 61 61 ASP HA H 1 4.145 . . 1 . . . A 53 ASP HA . 36012 1 540 . 1 1 61 61 ASP HB2 H 1 2.651 . . 2 . . . A 53 ASP HB2 . 36012 1 541 . 1 1 61 61 ASP HB3 H 1 2.571 . . 2 . . . A 53 ASP HB3 . 36012 1 542 . 1 1 61 61 ASP CA C 13 57.699 . . 1 . . . A 53 ASP CA . 36012 1 543 . 1 1 61 61 ASP CB C 13 41.011 . . 1 . . . A 53 ASP CB . 36012 1 544 . 1 1 61 61 ASP N N 15 122.235 . . 1 . . . A 53 ASP N . 36012 1 545 . 1 1 62 62 GLU H H 1 8.756 . . 1 . . . A 54 GLU H . 36012 1 546 . 1 1 62 62 GLU HA H 1 4.315 . . 1 . . . A 54 GLU HA . 36012 1 547 . 1 1 62 62 GLU HB2 H 1 2.009 . . 2 . . . A 54 GLU HB2 . 36012 1 548 . 1 1 62 62 GLU HB3 H 1 2.126 . . 2 . . . A 54 GLU HB3 . 36012 1 549 . 1 1 62 62 GLU HG2 H 1 2.266 . . 2 . . . A 54 GLU HG2 . 36012 1 550 . 1 1 62 62 GLU HG3 H 1 2.266 . . 2 . . . A 54 GLU HG3 . 36012 1 551 . 1 1 62 62 GLU CA C 13 57.336 . . 1 . . . A 54 GLU CA . 36012 1 552 . 1 1 62 62 GLU CB C 13 29.042 . . 1 . . . A 54 GLU CB . 36012 1 553 . 1 1 62 62 GLU CG C 13 36.296 . . 1 . . . A 54 GLU CG . 36012 1 554 . 1 1 62 62 GLU N N 15 113.128 . . 1 . . . A 54 GLU N . 36012 1 555 . 1 1 63 63 LYS H H 1 7.677 . . 1 . . . A 55 LYS H . 36012 1 556 . 1 1 63 63 LYS HA H 1 4.251 . . 1 . . . A 55 LYS HA . 36012 1 557 . 1 1 63 63 LYS HB2 H 1 1.861 . . 2 . . . A 55 LYS HB2 . 36012 1 558 . 1 1 63 63 LYS HB3 H 1 2.306 . . 2 . . . A 55 LYS HB3 . 36012 1 559 . 1 1 63 63 LYS HG2 H 1 1.353 . . 2 . . . A 55 LYS HG2 . 36012 1 560 . 1 1 63 63 LYS HG3 H 1 1.544 . . 2 . . . A 55 LYS HG3 . 36012 1 561 . 1 1 63 63 LYS HD2 H 1 1.384 . . 2 . . . A 55 LYS HD2 . 36012 1 562 . 1 1 63 63 LYS HD3 H 1 1.384 . . 2 . . . A 55 LYS HD3 . 36012 1 563 . 1 1 63 63 LYS HE2 H 1 2.819 . . 2 . . . A 55 LYS HE2 . 36012 1 564 . 1 1 63 63 LYS HE3 H 1 2.819 . . 2 . . . A 55 LYS HE3 . 36012 1 565 . 1 1 63 63 LYS CA C 13 55.957 . . 1 . . . A 55 LYS CA . 36012 1 566 . 1 1 63 63 LYS CB C 13 32.944 . . 1 . . . A 55 LYS CB . 36012 1 567 . 1 1 63 63 LYS CG C 13 26.160 . . 1 . . . A 55 LYS CG . 36012 1 568 . 1 1 63 63 LYS CD C 13 28.973 . . 1 . . . A 55 LYS CD . 36012 1 569 . 1 1 63 63 LYS CE C 13 42.383 . . 1 . . . A 55 LYS CE . 36012 1 570 . 1 1 63 63 LYS N N 15 119.869 . . 1 . . . A 55 LYS N . 36012 1 571 . 1 1 64 64 ARG H H 1 8.797 . . 1 . . . A 56 ARG H . 36012 1 572 . 1 1 64 64 ARG HA H 1 4.724 . . 1 . . . A 56 ARG HA . 36012 1 573 . 1 1 64 64 ARG HB2 H 1 1.719 . . 2 . . . A 56 ARG HB2 . 36012 1 574 . 1 1 64 64 ARG HB3 H 1 1.587 . . 2 . . . A 56 ARG HB3 . 36012 1 575 . 1 1 64 64 ARG HG2 H 1 1.162 . . 2 . . . A 56 ARG HG2 . 36012 1 576 . 1 1 64 64 ARG HG3 H 1 0.835 . . 2 . . . A 56 ARG HG3 . 36012 1 577 . 1 1 64 64 ARG HD2 H 1 3.129 . . 2 . . . A 56 ARG HD2 . 36012 1 578 . 1 1 64 64 ARG HD3 H 1 3.330 . . 2 . . . A 56 ARG HD3 . 36012 1 579 . 1 1 64 64 ARG CB C 13 31.120 . . 1 . . . A 56 ARG CB . 36012 1 580 . 1 1 64 64 ARG CD C 13 43.428 . . 1 . . . A 56 ARG CD . 36012 1 581 . 1 1 64 64 ARG N N 15 117.724 . . 1 . . . A 56 ARG N . 36012 1 582 . 1 1 65 65 LEU H H 1 8.728 . . 1 . . . A 57 LEU H . 36012 1 583 . 1 1 65 65 LEU HA H 1 4.038 . . 1 . . . A 57 LEU HA . 36012 1 584 . 1 1 65 65 LEU HB2 H 1 1.388 . . 2 . . . A 57 LEU HB2 . 36012 1 585 . 1 1 65 65 LEU HB3 H 1 1.896 . . 2 . . . A 57 LEU HB3 . 36012 1 586 . 1 1 65 65 LEU HG H 1 1.595 . . 1 . . . A 57 LEU HG . 36012 1 587 . 1 1 65 65 LEU HD11 H 1 0.789 . . 2 . . . A 57 LEU HD11 . 36012 1 588 . 1 1 65 65 LEU HD12 H 1 0.789 . . 2 . . . A 57 LEU HD12 . 36012 1 589 . 1 1 65 65 LEU HD13 H 1 0.789 . . 2 . . . A 57 LEU HD13 . 36012 1 590 . 1 1 65 65 LEU HD21 H 1 0.789 . . 2 . . . A 57 LEU HD21 . 36012 1 591 . 1 1 65 65 LEU HD22 H 1 0.789 . . 2 . . . A 57 LEU HD22 . 36012 1 592 . 1 1 65 65 LEU HD23 H 1 0.789 . . 2 . . . A 57 LEU HD23 . 36012 1 593 . 1 1 65 65 LEU CA C 13 59.424 . . 1 . . . A 57 LEU CA . 36012 1 594 . 1 1 65 65 LEU CB C 13 40.398 . . 1 . . . A 57 LEU CB . 36012 1 595 . 1 1 65 65 LEU CD1 C 13 25.789 . . 2 . . . A 57 LEU CD1 . 36012 1 596 . 1 1 65 65 LEU N N 15 123.223 . . 1 . . . A 57 LEU N . 36012 1 597 . 1 1 66 66 LYS H H 1 8.681 . . 1 . . . A 58 LYS H . 36012 1 598 . 1 1 66 66 LYS HA H 1 4.409 . . 1 . . . A 58 LYS HA . 36012 1 599 . 1 1 66 66 LYS HB2 H 1 1.601 . . 2 . . . A 58 LYS HB2 . 36012 1 600 . 1 1 66 66 LYS HB3 H 1 1.951 . . 2 . . . A 58 LYS HB3 . 36012 1 601 . 1 1 66 66 LYS HG2 H 1 1.182 . . 2 . . . A 58 LYS HG2 . 36012 1 602 . 1 1 66 66 LYS HG3 H 1 1.326 . . 2 . . . A 58 LYS HG3 . 36012 1 603 . 1 1 66 66 LYS HE2 H 1 2.788 . . 2 . . . A 58 LYS HE2 . 36012 1 604 . 1 1 66 66 LYS HE3 H 1 2.788 . . 2 . . . A 58 LYS HE3 . 36012 1 605 . 1 1 66 66 LYS CA C 13 57.834 . . 1 . . . A 58 LYS CA . 36012 1 606 . 1 1 66 66 LYS CB C 13 31.124 . . 1 . . . A 58 LYS CB . 36012 1 607 . 1 1 66 66 LYS CG C 13 23.285 . . 1 . . . A 58 LYS CG . 36012 1 608 . 1 1 66 66 LYS CD C 13 29.708 . . 1 . . . A 58 LYS CD . 36012 1 609 . 1 1 66 66 LYS CE C 13 41.229 . . 1 . . . A 58 LYS CE . 36012 1 610 . 1 1 66 66 LYS N N 15 114.073 . . 1 . . . A 58 LYS N . 36012 1 611 . 1 1 67 67 ASP H H 1 7.862 . . 1 . . . A 59 ASP H . 36012 1 612 . 1 1 67 67 ASP HA H 1 4.419 . . 1 . . . A 59 ASP HA . 36012 1 613 . 1 1 67 67 ASP HB2 H 1 2.736 . . 2 . . . A 59 ASP HB2 . 36012 1 614 . 1 1 67 67 ASP HB3 H 1 2.429 . . 2 . . . A 59 ASP HB3 . 36012 1 615 . 1 1 67 67 ASP CA C 13 56.506 . . 1 . . . A 59 ASP CA . 36012 1 616 . 1 1 67 67 ASP CB C 13 40.048 . . 1 . . . A 59 ASP CB . 36012 1 617 . 1 1 67 67 ASP N N 15 120.640 . . 1 . . . A 59 ASP N . 36012 1 618 . 1 1 68 68 TYR H H 1 7.545 . . 1 . . . A 60 TYR H . 36012 1 619 . 1 1 68 68 TYR HA H 1 4.616 . . 1 . . . A 60 TYR HA . 36012 1 620 . 1 1 68 68 TYR HB2 H 1 2.635 . . 2 . . . A 60 TYR HB2 . 36012 1 621 . 1 1 68 68 TYR HB3 H 1 3.206 . . 2 . . . A 60 TYR HB3 . 36012 1 622 . 1 1 68 68 TYR CA C 13 58.150 . . 1 . . . A 60 TYR CA . 36012 1 623 . 1 1 68 68 TYR CB C 13 39.329 . . 1 . . . A 60 TYR CB . 36012 1 624 . 1 1 68 68 TYR N N 15 117.775 . . 1 . . . A 60 TYR N . 36012 1 625 . 1 1 69 69 GLN H H 1 8.155 . . 1 . . . A 61 GLN H . 36012 1 626 . 1 1 69 69 GLN HA H 1 4.183 . . 1 . . . A 61 GLN HA . 36012 1 627 . 1 1 69 69 GLN HB2 H 1 2.181 . . 2 . . . A 61 GLN HB2 . 36012 1 628 . 1 1 69 69 GLN HB3 H 1 2.181 . . 2 . . . A 61 GLN HB3 . 36012 1 629 . 1 1 69 69 GLN HG2 H 1 2.318 . . 2 . . . A 61 GLN HG2 . 36012 1 630 . 1 1 69 69 GLN HG3 H 1 2.318 . . 2 . . . A 61 GLN HG3 . 36012 1 631 . 1 1 69 69 GLN CA C 13 56.617 . . 1 . . . A 61 GLN CA . 36012 1 632 . 1 1 69 69 GLN CB C 13 26.578 . . 1 . . . A 61 GLN CB . 36012 1 633 . 1 1 69 69 GLN CG C 13 34.106 . . 1 . . . A 61 GLN CG . 36012 1 634 . 1 1 69 69 GLN N N 15 117.450 . . 1 . . . A 61 GLN N . 36012 1 635 . 1 1 70 70 MET H H 1 7.997 . . 1 . . . A 62 MET H . 36012 1 636 . 1 1 70 70 MET HA H 1 4.470 . . 1 . . . A 62 MET HA . 36012 1 637 . 1 1 70 70 MET HB2 H 1 1.823 . . 2 . . . A 62 MET HB2 . 36012 1 638 . 1 1 70 70 MET HG2 H 1 2.222 . . 2 . . . A 62 MET HG2 . 36012 1 639 . 1 1 70 70 MET HG3 H 1 2.351 . . 2 . . . A 62 MET HG3 . 36012 1 640 . 1 1 70 70 MET CA C 13 55.767 . . 1 . . . A 62 MET CA . 36012 1 641 . 1 1 70 70 MET CB C 13 33.105 . . 1 . . . A 62 MET CB . 36012 1 642 . 1 1 70 70 MET CG C 13 31.870 . . 1 . . . A 62 MET CG . 36012 1 643 . 1 1 70 70 MET N N 15 120.193 . . 1 . . . A 62 MET N . 36012 1 644 . 1 1 71 71 SER H H 1 8.073 . . 1 . . . A 63 SER H . 36012 1 645 . 1 1 71 71 SER HA H 1 4.530 . . 1 . . . A 63 SER HA . 36012 1 646 . 1 1 71 71 SER HB2 H 1 3.890 . . 2 . . . A 63 SER HB2 . 36012 1 647 . 1 1 71 71 SER HB3 H 1 3.867 . . 2 . . . A 63 SER HB3 . 36012 1 648 . 1 1 71 71 SER CA C 13 57.654 . . 1 . . . A 63 SER CA . 36012 1 649 . 1 1 71 71 SER CB C 13 64.803 . . 1 . . . A 63 SER CB . 36012 1 650 . 1 1 71 71 SER N N 15 116.722 . . 1 . . . A 63 SER N . 36012 1 651 . 1 1 72 72 ALA H H 1 8.492 . . 1 . . . A 64 ALA H . 36012 1 652 . 1 1 72 72 ALA HA H 1 4.256 . . 1 . . . A 64 ALA HA . 36012 1 653 . 1 1 72 72 ALA HB1 H 1 1.435 . . 1 . . . A 64 ALA HB1 . 36012 1 654 . 1 1 72 72 ALA HB2 H 1 1.435 . . 1 . . . A 64 ALA HB2 . 36012 1 655 . 1 1 72 72 ALA HB3 H 1 1.435 . . 1 . . . A 64 ALA HB3 . 36012 1 656 . 1 1 72 72 ALA CA C 13 53.566 . . 1 . . . A 64 ALA CA . 36012 1 657 . 1 1 72 72 ALA CB C 13 18.242 . . 1 . . . A 64 ALA CB . 36012 1 658 . 1 1 72 72 ALA N N 15 123.286 . . 1 . . . A 64 ALA N . 36012 1 659 . 1 1 73 73 GLY H H 1 8.907 . . 1 . . . A 65 GLY H . 36012 1 660 . 1 1 73 73 GLY HA2 H 1 3.539 . . 2 . . . A 65 GLY HA2 . 36012 1 661 . 1 1 73 73 GLY HA3 H 1 4.145 . . 2 . . . A 65 GLY HA3 . 36012 1 662 . 1 1 73 73 GLY CA C 13 45.127 . . 1 . . . A 65 GLY CA . 36012 1 663 . 1 1 73 73 GLY N N 15 110.294 . . 1 . . . A 65 GLY N . 36012 1 664 . 1 1 74 74 ALA H H 1 7.572 . . 1 . . . A 66 ALA H . 36012 1 665 . 1 1 74 74 ALA HA H 1 4.288 . . 1 . . . A 66 ALA HA . 36012 1 666 . 1 1 74 74 ALA HB1 H 1 1.338 . . 1 . . . A 66 ALA HB1 . 36012 1 667 . 1 1 74 74 ALA HB2 H 1 1.338 . . 1 . . . A 66 ALA HB2 . 36012 1 668 . 1 1 74 74 ALA HB3 H 1 1.338 . . 1 . . . A 66 ALA HB3 . 36012 1 669 . 1 1 74 74 ALA CA C 13 52.876 . . 1 . . . A 66 ALA CA . 36012 1 670 . 1 1 74 74 ALA CB C 13 19.826 . . 1 . . . A 66 ALA CB . 36012 1 671 . 1 1 74 74 ALA N N 15 123.229 . . 1 . . . A 66 ALA N . 36012 1 672 . 1 1 75 75 THR H H 1 8.253 . . 1 . . . A 67 THR H . 36012 1 673 . 1 1 75 75 THR HA H 1 5.060 . . 1 . . . A 67 THR HA . 36012 1 674 . 1 1 75 75 THR HB H 1 3.954 . . 1 . . . A 67 THR HB . 36012 1 675 . 1 1 75 75 THR HG21 H 1 0.917 . . 1 . . . A 67 THR HG21 . 36012 1 676 . 1 1 75 75 THR HG22 H 1 0.917 . . 1 . . . A 67 THR HG22 . 36012 1 677 . 1 1 75 75 THR HG23 H 1 0.917 . . 1 . . . A 67 THR HG23 . 36012 1 678 . 1 1 75 75 THR CA C 13 61.493 . . 1 . . . A 67 THR CA . 36012 1 679 . 1 1 75 75 THR CB C 13 71.022 . . 1 . . . A 67 THR CB . 36012 1 680 . 1 1 75 75 THR CG2 C 13 20.605 . . 1 . . . A 67 THR CG2 . 36012 1 681 . 1 1 75 75 THR N N 15 116.161 . . 1 . . . A 67 THR N . 36012 1 682 . 1 1 76 76 PHE H H 1 8.989 . . 1 . . . A 68 PHE H . 36012 1 683 . 1 1 76 76 PHE HA H 1 5.369 . . 1 . . . A 68 PHE HA . 36012 1 684 . 1 1 76 76 PHE HB3 H 1 3.002 . . 2 . . . A 68 PHE HB3 . 36012 1 685 . 1 1 76 76 PHE CA C 13 54.013 . . 1 . . . A 68 PHE CA . 36012 1 686 . 1 1 76 76 PHE CB C 13 40.893 . . 1 . . . A 68 PHE CB . 36012 1 687 . 1 1 76 76 PHE N N 15 124.518 . . 1 . . . A 68 PHE N . 36012 1 688 . 1 1 77 77 HIS H H 1 9.300 . . 1 . . . A 69 HIS H . 36012 1 689 . 1 1 77 77 HIS HA H 1 5.146 . . 1 . . . A 69 HIS HA . 36012 1 690 . 1 1 77 77 HIS HB2 H 1 2.939 . . 2 . . . A 69 HIS HB2 . 36012 1 691 . 1 1 77 77 HIS HB3 H 1 3.110 . . 2 . . . A 69 HIS HB3 . 36012 1 692 . 1 1 77 77 HIS CA C 13 56.131 . . 1 . . . A 69 HIS CA . 36012 1 693 . 1 1 77 77 HIS CB C 13 31.584 . . 1 . . . A 69 HIS CB . 36012 1 694 . 1 1 77 77 HIS N N 15 120.835 . . 1 . . . A 69 HIS N . 36012 1 695 . 1 1 78 78 MET H H 1 8.563 . . 1 . . . A 70 MET H . 36012 1 696 . 1 1 78 78 MET HA H 1 5.199 . . 1 . . . A 70 MET HA . 36012 1 697 . 1 1 78 78 MET HB2 H 1 1.566 . . 2 . . . A 70 MET HB2 . 36012 1 698 . 1 1 78 78 MET HB3 H 1 1.881 . . 2 . . . A 70 MET HB3 . 36012 1 699 . 1 1 78 78 MET HG2 H 1 2.083 . . 2 . . . A 70 MET HG2 . 36012 1 700 . 1 1 78 78 MET HG3 H 1 2.372 . . 2 . . . A 70 MET HG3 . 36012 1 701 . 1 1 78 78 MET CA C 13 54.683 . . 1 . . . A 70 MET CA . 36012 1 702 . 1 1 78 78 MET CB C 13 35.426 . . 1 . . . A 70 MET CB . 36012 1 703 . 1 1 78 78 MET CG C 13 32.185 . . 1 . . . A 70 MET CG . 36012 1 704 . 1 1 78 78 MET N N 15 122.731 . . 1 . . . A 70 MET N . 36012 1 705 . 1 1 79 79 VAL H H 1 9.118 . . 1 . . . A 71 VAL H . 36012 1 706 . 1 1 79 79 VAL HA H 1 4.277 . . 1 . . . A 71 VAL HA . 36012 1 707 . 1 1 79 79 VAL HB H 1 1.845 . . 1 . . . A 71 VAL HB . 36012 1 708 . 1 1 79 79 VAL HG11 H 1 0.798 . . 2 . . . A 71 VAL HG11 . 36012 1 709 . 1 1 79 79 VAL HG12 H 1 0.798 . . 2 . . . A 71 VAL HG12 . 36012 1 710 . 1 1 79 79 VAL HG13 H 1 0.798 . . 2 . . . A 71 VAL HG13 . 36012 1 711 . 1 1 79 79 VAL HG21 H 1 0.798 . . 2 . . . A 71 VAL HG21 . 36012 1 712 . 1 1 79 79 VAL HG22 H 1 0.798 . . 2 . . . A 71 VAL HG22 . 36012 1 713 . 1 1 79 79 VAL HG23 H 1 0.798 . . 2 . . . A 71 VAL HG23 . 36012 1 714 . 1 1 79 79 VAL CA C 13 61.343 . . 1 . . . A 71 VAL CA . 36012 1 715 . 1 1 79 79 VAL CB C 13 34.656 . . 1 . . . A 71 VAL CB . 36012 1 716 . 1 1 79 79 VAL CG2 C 13 20.651 . . 2 . . . A 71 VAL CG2 . 36012 1 717 . 1 1 79 79 VAL N N 15 128.801 . . 1 . . . A 71 VAL N . 36012 1 718 . 1 1 80 80 VAL H H 1 8.544 . . 1 . . . A 72 VAL H . 36012 1 719 . 1 1 80 80 VAL HA H 1 4.618 . . 1 . . . A 72 VAL HA . 36012 1 720 . 1 1 80 80 VAL HB H 1 1.962 . . 1 . . . A 72 VAL HB . 36012 1 721 . 1 1 80 80 VAL HG11 H 1 0.896 . . 2 . . . A 72 VAL HG11 . 36012 1 722 . 1 1 80 80 VAL HG12 H 1 0.896 . . 2 . . . A 72 VAL HG12 . 36012 1 723 . 1 1 80 80 VAL HG13 H 1 0.896 . . 2 . . . A 72 VAL HG13 . 36012 1 724 . 1 1 80 80 VAL HG21 H 1 0.896 . . 2 . . . A 72 VAL HG21 . 36012 1 725 . 1 1 80 80 VAL HG22 H 1 0.896 . . 2 . . . A 72 VAL HG22 . 36012 1 726 . 1 1 80 80 VAL HG23 H 1 0.896 . . 2 . . . A 72 VAL HG23 . 36012 1 727 . 1 1 80 80 VAL CA C 13 61.485 . . 1 . . . A 72 VAL CA . 36012 1 728 . 1 1 80 80 VAL CB C 13 32.311 . . 1 . . . A 72 VAL CB . 36012 1 729 . 1 1 80 80 VAL CG1 C 13 21.494 . . 2 . . . A 72 VAL CG1 . 36012 1 730 . 1 1 80 80 VAL N N 15 125.528 . . 1 . . . A 72 VAL N . 36012 1 731 . 1 1 81 81 ALA H H 1 8.957 . . 1 . . . A 73 ALA H . 36012 1 732 . 1 1 81 81 ALA HA H 1 4.323 . . 1 . . . A 73 ALA HA . 36012 1 733 . 1 1 81 81 ALA HB1 H 1 1.304 . . 1 . . . A 73 ALA HB1 . 36012 1 734 . 1 1 81 81 ALA HB2 H 1 1.304 . . 1 . . . A 73 ALA HB2 . 36012 1 735 . 1 1 81 81 ALA HB3 H 1 1.304 . . 1 . . . A 73 ALA HB3 . 36012 1 736 . 1 1 81 81 ALA CA C 13 51.746 . . 1 . . . A 73 ALA CA . 36012 1 737 . 1 1 81 81 ALA CB C 13 19.445 . . 1 . . . A 73 ALA CB . 36012 1 738 . 1 1 81 81 ALA N N 15 131.664 . . 1 . . . A 73 ALA N . 36012 1 739 . 1 1 82 82 LEU H H 1 8.193 . . 1 . . . A 74 LEU H . 36012 1 740 . 1 1 82 82 LEU HA H 1 4.279 . . 1 . . . A 74 LEU HA . 36012 1 741 . 1 1 82 82 LEU HB2 H 1 1.574 . . 2 . . . A 74 LEU HB2 . 36012 1 742 . 1 1 82 82 LEU HD11 H 1 0.877 . . 2 . . . A 74 LEU HD11 . 36012 1 743 . 1 1 82 82 LEU HD12 H 1 0.877 . . 2 . . . A 74 LEU HD12 . 36012 1 744 . 1 1 82 82 LEU HD13 H 1 0.877 . . 2 . . . A 74 LEU HD13 . 36012 1 745 . 1 1 82 82 LEU HD21 H 1 0.877 . . 2 . . . A 74 LEU HD21 . 36012 1 746 . 1 1 82 82 LEU HD22 H 1 0.877 . . 2 . . . A 74 LEU HD22 . 36012 1 747 . 1 1 82 82 LEU HD23 H 1 0.877 . . 2 . . . A 74 LEU HD23 . 36012 1 748 . 1 1 82 82 LEU CA C 13 55.191 . . 1 . . . A 74 LEU CA . 36012 1 749 . 1 1 82 82 LEU CB C 13 42.356 . . 1 . . . A 74 LEU CB . 36012 1 750 . 1 1 82 82 LEU CG C 13 27.318 . . 1 . . . A 74 LEU CG . 36012 1 751 . 1 1 82 82 LEU CD1 C 13 24.347 . . 2 . . . A 74 LEU CD1 . 36012 1 752 . 1 1 82 82 LEU N N 15 120.722 . . 1 . . . A 74 LEU N . 36012 1 753 . 1 1 83 83 ARG H H 1 8.207 . . 1 . . . A 75 ARG H . 36012 1 754 . 1 1 83 83 ARG HA H 1 4.294 . . 1 . . . A 75 ARG HA . 36012 1 755 . 1 1 83 83 ARG HB2 H 1 1.587 . . 2 . . . A 75 ARG HB2 . 36012 1 756 . 1 1 83 83 ARG HB3 H 1 1.791 . . 2 . . . A 75 ARG HB3 . 36012 1 757 . 1 1 83 83 ARG HD2 H 1 3.170 . . 2 . . . A 75 ARG HD2 . 36012 1 758 . 1 1 83 83 ARG HD3 H 1 3.170 . . 2 . . . A 75 ARG HD3 . 36012 1 759 . 1 1 83 83 ARG CA C 13 55.604 . . 1 . . . A 75 ARG CA . 36012 1 760 . 1 1 83 83 ARG CB C 13 30.856 . . 1 . . . A 75 ARG CB . 36012 1 761 . 1 1 83 83 ARG CG C 13 27.125 . . 1 . . . A 75 ARG CG . 36012 1 762 . 1 1 83 83 ARG CD C 13 43.378 . . 1 . . . A 75 ARG CD . 36012 1 763 . 1 1 83 83 ARG N N 15 121.022 . . 1 . . . A 75 ARG N . 36012 1 764 . 1 1 84 84 ALA H H 1 8.471 . . 1 . . . A 76 ALA H . 36012 1 765 . 1 1 84 84 ALA HA H 1 4.278 . . 1 . . . A 76 ALA HA . 36012 1 766 . 1 1 84 84 ALA HB1 H 1 1.371 . . 1 . . . A 76 ALA HB1 . 36012 1 767 . 1 1 84 84 ALA HB2 H 1 1.371 . . 1 . . . A 76 ALA HB2 . 36012 1 768 . 1 1 84 84 ALA HB3 H 1 1.371 . . 1 . . . A 76 ALA HB3 . 36012 1 769 . 1 1 84 84 ALA CA C 13 52.478 . . 1 . . . A 76 ALA CA . 36012 1 770 . 1 1 84 84 ALA CB C 13 18.813 . . 1 . . . A 76 ALA CB . 36012 1 771 . 1 1 84 84 ALA N N 15 125.815 . . 1 . . . A 76 ALA N . 36012 1 772 . 1 1 85 85 GLY H H 1 8.506 . . 1 . . . A 77 GLY H . 36012 1 773 . 1 1 85 85 GLY HA2 H 1 3.949 . . 2 . . . A 77 GLY HA2 . 36012 1 774 . 1 1 85 85 GLY HA3 H 1 4.172 . . 1 . . . A 77 GLY HA3 . 36012 1 775 . 1 1 85 85 GLY CA C 13 45.336 . . 1 . . . A 77 GLY CA . 36012 1 776 . 1 1 85 85 GLY N N 15 109.110 . . 1 . . . A 77 GLY N . 36012 1 777 . 1 1 86 86 CYS H H 1 7.847 . . 1 . . . A 78 CYS H . 36012 1 778 . 1 1 86 86 CYS CA C 13 59.869 . . 1 . . . A 78 CYS CA . 36012 1 779 . 1 1 86 86 CYS CB C 13 28.666 . . 1 . . . A 78 CYS CB . 36012 1 780 . 1 1 86 86 CYS N N 15 122.756 . . 1 . . . A 78 CYS N . 36012 1 stop_ save_