data_51020 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51020 _Entry.Title ; 1H, 13C and 15N NMR assignments of an engineered Methyl CpG binding domain (MBD) protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-15 _Entry.Accession_date 2021-07-15 _Entry.Last_release_date 2021-07-15 _Entry.Original_release_date 2021-07-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Himanshu Singh . . . . 51020 2 Rasmus Linser . . . . 51020 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51020 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 51020 '15N chemical shifts' 79 51020 '1H chemical shifts' 437 51020 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 . . 2023-02-17 . original BMRB . 51020 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51020 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N NMR assignments of an engineered Methyl CpG binding domain (MBD) protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _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 Himanshu Singh . . . . 51020 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51020 _Assembly.ID 1 _Assembly.Name MeCP2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MeCP2 1 $entity_1 . . no native no yes . . . 51020 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51020 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SLEDRGPMYDDPTLPEGWTR KLTQRKSGRSAGKYDAYLIN PQGKAFRNKVELIAYFEKVG DTSLDPNDFDFTVTGRGSPS RREQKPPKKPKSPKATSHHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 51020 1 2 . LEU . 51020 1 3 . GLU . 51020 1 4 . ASP . 51020 1 5 . ARG . 51020 1 6 . GLY . 51020 1 7 . PRO . 51020 1 8 . MET . 51020 1 9 . TYR . 51020 1 10 . ASP . 51020 1 11 . ASP . 51020 1 12 . PRO . 51020 1 13 . THR . 51020 1 14 . LEU . 51020 1 15 . PRO . 51020 1 16 . GLU . 51020 1 17 . GLY . 51020 1 18 . TRP . 51020 1 19 . THR . 51020 1 20 . ARG . 51020 1 21 . LYS . 51020 1 22 . LEU . 51020 1 23 . THR . 51020 1 24 . GLN . 51020 1 25 . ARG . 51020 1 26 . LYS . 51020 1 27 . SER . 51020 1 28 . GLY . 51020 1 29 . ARG . 51020 1 30 . SER . 51020 1 31 . ALA . 51020 1 32 . GLY . 51020 1 33 . LYS . 51020 1 34 . TYR . 51020 1 35 . ASP . 51020 1 36 . ALA . 51020 1 37 . TYR . 51020 1 38 . LEU . 51020 1 39 . ILE . 51020 1 40 . ASN . 51020 1 41 . PRO . 51020 1 42 . GLN . 51020 1 43 . GLY . 51020 1 44 . LYS . 51020 1 45 . ALA . 51020 1 46 . PHE . 51020 1 47 . ARG . 51020 1 48 . ASN . 51020 1 49 . LYS . 51020 1 50 . VAL . 51020 1 51 . GLU . 51020 1 52 . LEU . 51020 1 53 . ILE . 51020 1 54 . ALA . 51020 1 55 . TYR . 51020 1 56 . PHE . 51020 1 57 . GLU . 51020 1 58 . LYS . 51020 1 59 . VAL . 51020 1 60 . GLY . 51020 1 61 . ASP . 51020 1 62 . THR . 51020 1 63 . SER . 51020 1 64 . LEU . 51020 1 65 . ASP . 51020 1 66 . PRO . 51020 1 67 . ASN . 51020 1 68 . ASP . 51020 1 69 . PHE . 51020 1 70 . ASP . 51020 1 71 . PHE . 51020 1 72 . THR . 51020 1 73 . VAL . 51020 1 74 . THR . 51020 1 75 . GLY . 51020 1 76 . ARG . 51020 1 77 . GLY . 51020 1 78 . SER . 51020 1 79 . PRO . 51020 1 80 . SER . 51020 1 81 . ARG . 51020 1 82 . ARG . 51020 1 83 . GLU . 51020 1 84 . GLN . 51020 1 85 . LYS . 51020 1 86 . PRO . 51020 1 87 . PRO . 51020 1 88 . LYS . 51020 1 89 . LYS . 51020 1 90 . PRO . 51020 1 91 . LYS . 51020 1 92 . SER . 51020 1 93 . PRO . 51020 1 94 . LYS . 51020 1 95 . ALA . 51020 1 96 . THR . 51020 1 97 . SER . 51020 1 98 . HIS . 51020 1 99 . HIS . 51020 1 100 . HIS . 51020 1 101 . HIS . 51020 1 102 . HIS . 51020 1 103 . HIS . 51020 1 104 . HIS . 51020 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 . SER 1 1 51020 1 . LEU 2 2 51020 1 . GLU 3 3 51020 1 . ASP 4 4 51020 1 . ARG 5 5 51020 1 . GLY 6 6 51020 1 . PRO 7 7 51020 1 . MET 8 8 51020 1 . TYR 9 9 51020 1 . ASP 10 10 51020 1 . ASP 11 11 51020 1 . PRO 12 12 51020 1 . THR 13 13 51020 1 . LEU 14 14 51020 1 . PRO 15 15 51020 1 . GLU 16 16 51020 1 . GLY 17 17 51020 1 . TRP 18 18 51020 1 . THR 19 19 51020 1 . ARG 20 20 51020 1 . LYS 21 21 51020 1 . LEU 22 22 51020 1 . THR 23 23 51020 1 . GLN 24 24 51020 1 . ARG 25 25 51020 1 . LYS 26 26 51020 1 . SER 27 27 51020 1 . GLY 28 28 51020 1 . ARG 29 29 51020 1 . SER 30 30 51020 1 . ALA 31 31 51020 1 . GLY 32 32 51020 1 . LYS 33 33 51020 1 . TYR 34 34 51020 1 . ASP 35 35 51020 1 . ALA 36 36 51020 1 . TYR 37 37 51020 1 . LEU 38 38 51020 1 . ILE 39 39 51020 1 . ASN 40 40 51020 1 . PRO 41 41 51020 1 . GLN 42 42 51020 1 . GLY 43 43 51020 1 . LYS 44 44 51020 1 . ALA 45 45 51020 1 . PHE 46 46 51020 1 . ARG 47 47 51020 1 . ASN 48 48 51020 1 . LYS 49 49 51020 1 . VAL 50 50 51020 1 . GLU 51 51 51020 1 . LEU 52 52 51020 1 . ILE 53 53 51020 1 . ALA 54 54 51020 1 . TYR 55 55 51020 1 . PHE 56 56 51020 1 . GLU 57 57 51020 1 . LYS 58 58 51020 1 . VAL 59 59 51020 1 . GLY 60 60 51020 1 . ASP 61 61 51020 1 . THR 62 62 51020 1 . SER 63 63 51020 1 . LEU 64 64 51020 1 . ASP 65 65 51020 1 . PRO 66 66 51020 1 . ASN 67 67 51020 1 . ASP 68 68 51020 1 . PHE 69 69 51020 1 . ASP 70 70 51020 1 . PHE 71 71 51020 1 . THR 72 72 51020 1 . VAL 73 73 51020 1 . THR 74 74 51020 1 . GLY 75 75 51020 1 . ARG 76 76 51020 1 . GLY 77 77 51020 1 . SER 78 78 51020 1 . PRO 79 79 51020 1 . SER 80 80 51020 1 . ARG 81 81 51020 1 . ARG 82 82 51020 1 . GLU 83 83 51020 1 . GLN 84 84 51020 1 . LYS 85 85 51020 1 . PRO 86 86 51020 1 . PRO 87 87 51020 1 . LYS 88 88 51020 1 . LYS 89 89 51020 1 . PRO 90 90 51020 1 . LYS 91 91 51020 1 . SER 92 92 51020 1 . PRO 93 93 51020 1 . LYS 94 94 51020 1 . ALA 95 95 51020 1 . THR 96 96 51020 1 . SER 97 97 51020 1 . HIS 98 98 51020 1 . HIS 99 99 51020 1 . HIS 100 100 51020 1 . HIS 101 101 51020 1 . HIS 102 102 51020 1 . HIS 103 103 51020 1 . HIS 104 104 51020 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51020 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51020 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51020 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pBR322 . . . 51020 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51020 _Sample.ID 1 _Sample.Name 'Mutant MeCP2' _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C and 15N labelled protein in 90% H2O and 10% 2H2O (50 mM sodium phosphate, 50 mM NaCl (pH = 6))' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MeCP2 '[U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51020 1 2 MeCP2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 51020 1 3 MeCP2 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 51020 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51020 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51020 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 51020 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Mutant MeCP2' _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' 0.05 . M 51020 1 pH 6 . pH 51020 1 pressure 1 . atm 51020 1 temperature 283 . K 51020 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51020 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51020 1 'data analysis' . 51020 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51020 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51020 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 9 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 10 '3D 13C-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51020 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51020 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51020 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51020 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51020 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 51020 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Final_apo_without_referencing.str _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '3D 15N-separated NOESY' . . . 51020 1 10 '3D 13C-separated NOESY' . . . 51020 1 11 '3D HCCH-TOCSY' . . . 51020 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51020 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 LEU H H 1 8.750 0.020 . 1 . . . . . 2 LEU H . 51020 1 2 . 1 . 1 2 2 LEU HA H 1 4.210 0.020 . 1 . . . . . 2 LEU HA . 51020 1 3 . 1 . 1 2 2 LEU HB2 H 1 1.533 0.020 . 1 . . . . . 2 LEU HB2 . 51020 1 4 . 1 . 1 2 2 LEU HB3 H 1 1.533 0.020 . 1 . . . . . 2 LEU HB3 . 51020 1 5 . 1 . 1 2 2 LEU HG H 1 0.803 0.020 . 1 . . . . . 2 LEU HG . 51020 1 6 . 1 . 1 2 2 LEU C C 13 177.338 0.3 . 1 . . . . . 2 LEU C . 51020 1 7 . 1 . 1 2 2 LEU CA C 13 55.848 0.3 . 1 . . . . . 2 LEU CA . 51020 1 8 . 1 . 1 2 2 LEU CB C 13 41.628 0.3 . 1 . . . . . 2 LEU CB . 51020 1 9 . 1 . 1 2 2 LEU N N 15 122.344 0.3 . 1 . . . . . 2 LEU N . 51020 1 10 . 1 . 1 3 3 GLU H H 1 8.500 0.020 . 1 . . . . . 3 GLU H . 51020 1 11 . 1 . 1 3 3 GLU HA H 1 4.145 0.020 . 1 . . . . . 3 GLU HA . 51020 1 12 . 1 . 1 3 3 GLU HB2 H 1 1.617 0.020 . 1 . . . . . 3 GLU HB2 . 51020 1 13 . 1 . 1 3 3 GLU HB3 H 1 1.617 0.020 . 1 . . . . . 3 GLU HB3 . 51020 1 14 . 1 . 1 3 3 GLU C C 13 176.313 0.3 . 1 . . . . . 3 GLU C . 51020 1 15 . 1 . 1 3 3 GLU CA C 13 56.740 0.3 . 1 . . . . . 3 GLU CA . 51020 1 16 . 1 . 1 3 3 GLU CB C 13 29.402 0.3 . 1 . . . . . 3 GLU CB . 51020 1 17 . 1 . 1 3 3 GLU N N 15 120.288 0.3 . 1 . . . . . 3 GLU N . 51020 1 18 . 1 . 1 4 4 ASP H H 1 8.403 0.020 . 1 . . . . . 4 ASP H . 51020 1 19 . 1 . 1 4 4 ASP HA H 1 4.152 0.020 . 1 . . . . . 4 ASP HA . 51020 1 20 . 1 . 1 4 4 ASP C C 13 175.940 0.3 . 1 . . . . . 4 ASP C . 51020 1 21 . 1 . 1 4 4 ASP CA C 13 53.903 0.3 . 1 . . . . . 4 ASP CA . 51020 1 22 . 1 . 1 4 4 ASP N N 15 124.324 0.3 . 1 . . . . . 4 ASP N . 51020 1 23 . 1 . 1 5 5 ARG H H 1 8.192 0.020 . 1 . . . . . 5 ARG H . 51020 1 24 . 1 . 1 5 5 ARG HA H 1 4.221 0.020 . 1 . . . . . 5 ARG HA . 51020 1 25 . 1 . 1 5 5 ARG HB2 H 1 1.669 0.020 . 1 . . . . . 5 ARG HB2 . 51020 1 26 . 1 . 1 5 5 ARG HB3 H 1 1.669 0.020 . 1 . . . . . 5 ARG HB3 . 51020 1 27 . 1 . 1 5 5 ARG HG2 H 1 1.349 0.020 . 1 . . . . . 5 ARG HG2 . 51020 1 28 . 1 . 1 5 5 ARG HG3 H 1 1.349 0.020 . 1 . . . . . 5 ARG HG3 . 51020 1 29 . 1 . 1 5 5 ARG HD2 H 1 3.080 0.020 . 1 . . . . . 5 ARG HD2 . 51020 1 30 . 1 . 1 5 5 ARG HD3 H 1 3.080 0.020 . 1 . . . . . 5 ARG HD3 . 51020 1 31 . 1 . 1 5 5 ARG C C 13 176.164 0.3 . 1 . . . . . 5 ARG C . 51020 1 32 . 1 . 1 5 5 ARG CA C 13 55.981 0.3 . 1 . . . . . 5 ARG CA . 51020 1 33 . 1 . 1 5 5 ARG CB C 13 30.755 0.3 . 1 . . . . . 5 ARG CB . 51020 1 34 . 1 . 1 5 5 ARG CG C 13 26.699 0.3 . 1 . . . . . 5 ARG CG . 51020 1 35 . 1 . 1 5 5 ARG CD C 13 43.133 0.3 . 1 . . . . . 5 ARG CD . 51020 1 36 . 1 . 1 5 5 ARG N N 15 121.350 0.3 . 1 . . . . . 5 ARG N . 51020 1 37 . 1 . 1 6 6 GLY H H 1 8.308 0.020 . 1 . . . . . 6 GLY H . 51020 1 38 . 1 . 1 6 6 GLY HA2 H 1 3.994 0.020 . 1 . . . . . 6 GLY HA2 . 51020 1 39 . 1 . 1 6 6 GLY HA3 H 1 3.994 0.020 . 1 . . . . . 6 GLY HA3 . 51020 1 40 . 1 . 1 6 6 GLY CA C 13 44.036 0.3 . 1 . . . . . 6 GLY CA . 51020 1 41 . 1 . 1 6 6 GLY N N 15 109.279 0.3 . 1 . . . . . 6 GLY N . 51020 1 42 . 1 . 1 9 9 TYR C C 13 174.150 0.3 . 1 . . . . . 9 TYR C . 51020 1 43 . 1 . 1 12 12 PRO C C 13 176.723 0.3 . 1 . . . . . 12 PRO C . 51020 1 44 . 1 . 1 12 12 PRO CA C 13 63.252 0.3 . 1 . . . . . 12 PRO CA . 51020 1 45 . 1 . 1 12 12 PRO CB C 13 31.426 0.3 . 1 . . . . . 12 PRO CB . 51020 1 46 . 1 . 1 13 13 THR H H 1 8.309 0.020 . 1 . . . . . 13 THR H . 51020 1 47 . 1 . 1 13 13 THR HA H 1 4.161 0.020 . 1 . . . . . 13 THR HA . 51020 1 48 . 1 . 1 13 13 THR HB H 1 4.085 0.020 . 1 . . . . . 13 THR HB . 51020 1 49 . 1 . 1 13 13 THR HG21 H 1 1.048 0.020 . 1 . . . . . 13 THR HG2 . 51020 1 50 . 1 . 1 13 13 THR HG22 H 1 1.048 0.020 . 1 . . . . . 13 THR HG2 . 51020 1 51 . 1 . 1 13 13 THR HG23 H 1 1.048 0.020 . 1 . . . . . 13 THR HG2 . 51020 1 52 . 1 . 1 13 13 THR C C 13 175.213 0.3 . 1 . . . . . 13 THR C . 51020 1 53 . 1 . 1 13 13 THR CA C 13 62.076 0.3 . 1 . . . . . 13 THR CA . 51020 1 54 . 1 . 1 13 13 THR CB C 13 69.562 0.3 . 1 . . . . . 13 THR CB . 51020 1 55 . 1 . 1 13 13 THR N N 15 110.500 0.3 . 1 . . . . . 13 THR N . 51020 1 56 . 1 . 1 14 14 LEU H H 1 7.011 0.020 . 1 . . . . . 14 LEU H . 51020 1 57 . 1 . 1 14 14 LEU HA H 1 4.038 0.020 . 1 . . . . . 14 LEU HA . 51020 1 58 . 1 . 1 14 14 LEU HG H 1 1.460 0.020 . 1 . . . . . 14 LEU HG . 51020 1 59 . 1 . 1 14 14 LEU HD11 H 1 0.786 0.020 . 1 . . . . . 14 LEU HD1 . 51020 1 60 . 1 . 1 14 14 LEU HD12 H 1 0.786 0.020 . 1 . . . . . 14 LEU HD1 . 51020 1 61 . 1 . 1 14 14 LEU HD13 H 1 0.786 0.020 . 1 . . . . . 14 LEU HD1 . 51020 1 62 . 1 . 1 14 14 LEU CA C 13 53.024 0.3 . 1 . . . . . 14 LEU CA . 51020 1 63 . 1 . 1 14 14 LEU N N 15 124.201 0.3 . 1 . . . . . 14 LEU N . 51020 1 64 . 1 . 1 15 15 PRO HB2 H 1 2.110 0.020 . 1 . . . . . 15 PRO HB2 . 51020 1 65 . 1 . 1 15 15 PRO C C 13 175.549 0.3 . 1 . . . . . 15 PRO C . 51020 1 66 . 1 . 1 15 15 PRO CA C 13 62.228 0.3 . 1 . . . . . 15 PRO CA . 51020 1 67 . 1 . 1 16 16 GLU H H 1 8.394 0.020 . 1 . . . . . 16 GLU H . 51020 1 68 . 1 . 1 16 16 GLU HA H 1 3.991 0.020 . 1 . . . . . 16 GLU HA . 51020 1 69 . 1 . 1 16 16 GLU HB2 H 1 2.089 0.020 . 2 . . . . . 16 GLU HB2 . 51020 1 70 . 1 . 1 16 16 GLU HB3 H 1 2.090 0.020 . 2 . . . . . 16 GLU HB3 . 51020 1 71 . 1 . 1 16 16 GLU C C 13 177.749 0.3 . 1 . . . . . 16 GLU C . 51020 1 72 . 1 . 1 16 16 GLU CA C 13 58.098 0.3 . 1 . . . . . 16 GLU CA . 51020 1 73 . 1 . 1 16 16 GLU CB C 13 29.082 0.3 . 1 . . . . . 16 GLU CB . 51020 1 74 . 1 . 1 16 16 GLU N N 15 120.619 0.3 . 1 . . . . . 16 GLU N . 51020 1 75 . 1 . 1 17 17 GLY H H 1 8.909 0.020 . 1 . . . . . 17 GLY H . 51020 1 76 . 1 . 1 17 17 GLY HA2 H 1 3.623 0.020 . 2 . . . . . 17 GLY HA2 . 51020 1 77 . 1 . 1 17 17 GLY HA3 H 1 4.266 0.020 . 2 . . . . . 17 GLY HA3 . 51020 1 78 . 1 . 1 17 17 GLY C C 13 174.598 0.3 . 1 . . . . . 17 GLY C . 51020 1 79 . 1 . 1 17 17 GLY CA C 13 45.314 0.3 . 1 . . . . . 17 GLY CA . 51020 1 80 . 1 . 1 17 17 GLY N N 15 114.274 0.3 . 1 . . . . . 17 GLY N . 51020 1 81 . 1 . 1 18 18 TRP H H 1 8.404 0.020 . 1 . . . . . 18 TRP H . 51020 1 82 . 1 . 1 18 18 TRP HA H 1 5.025 0.020 . 1 . . . . . 18 TRP HA . 51020 1 83 . 1 . 1 18 18 TRP HB2 H 1 3.374 0.020 . 2 . . . . . 18 TRP HB2 . 51020 1 84 . 1 . 1 18 18 TRP HB3 H 1 3.376 0.020 . 2 . . . . . 18 TRP HB3 . 51020 1 85 . 1 . 1 18 18 TRP HD1 H 1 7.180 0.020 . 1 . . . . . 18 TRP HD1 . 51020 1 86 . 1 . 1 18 18 TRP HE1 H 1 10.740 0.020 . 1 . . . . . 18 TRP HE1 . 51020 1 87 . 1 . 1 18 18 TRP HZ2 H 1 7.671 0.020 . 1 . . . . . 18 TRP HZ2 . 51020 1 88 . 1 . 1 18 18 TRP HH2 H 1 6.582 0.020 . 1 . . . . . 18 TRP HH2 . 51020 1 89 . 1 . 1 18 18 TRP C C 13 176.369 0.3 . 1 . . . . . 18 TRP C . 51020 1 90 . 1 . 1 18 18 TRP CA C 13 57.419 0.3 . 1 . . . . . 18 TRP CA . 51020 1 91 . 1 . 1 18 18 TRP CB C 13 29.172 0.3 . 1 . . . . . 18 TRP CB . 51020 1 92 . 1 . 1 18 18 TRP N N 15 121.798 0.3 . 1 . . . . . 18 TRP N . 51020 1 93 . 1 . 1 18 18 TRP NE1 N 15 131.129 0.3 . 1 . . . . . 18 TRP NE1 . 51020 1 94 . 1 . 1 19 19 THR H H 1 9.174 0.020 . 1 . . . . . 19 THR H . 51020 1 95 . 1 . 1 19 19 THR HA H 1 4.657 0.020 . 1 . . . . . 19 THR HA . 51020 1 96 . 1 . 1 19 19 THR HB H 1 4.038 0.020 . 1 . . . . . 19 THR HB . 51020 1 97 . 1 . 1 19 19 THR HG21 H 1 1.022 0.020 . 1 . . . . . 19 THR HG2 . 51020 1 98 . 1 . 1 19 19 THR HG22 H 1 1.022 0.020 . 1 . . . . . 19 THR HG2 . 51020 1 99 . 1 . 1 19 19 THR HG23 H 1 1.022 0.020 . 1 . . . . . 19 THR HG2 . 51020 1 100 . 1 . 1 19 19 THR C C 13 173.069 0.3 . 1 . . . . . 19 THR C . 51020 1 101 . 1 . 1 19 19 THR CA C 13 60.495 0.3 . 1 . . . . . 19 THR CA . 51020 1 102 . 1 . 1 19 19 THR CB C 13 72.905 0.3 . 1 . . . . . 19 THR CB . 51020 1 103 . 1 . 1 19 19 THR CG2 C 13 21.361 0.3 . 1 . . . . . 19 THR CG2 . 51020 1 104 . 1 . 1 19 19 THR N N 15 112.618 0.3 . 1 . . . . . 19 THR N . 51020 1 105 . 1 . 1 20 20 ARG H H 1 8.955 0.020 . 1 . . . . . 20 ARG H . 51020 1 106 . 1 . 1 20 20 ARG HA H 1 5.267 0.020 . 1 . . . . . 20 ARG HA . 51020 1 107 . 1 . 1 20 20 ARG HB2 H 1 1.517 0.020 . 1 . . . . . 20 ARG HB2 . 51020 1 108 . 1 . 1 20 20 ARG HB3 H 1 1.517 0.020 . 1 . . . . . 20 ARG HB3 . 51020 1 109 . 1 . 1 20 20 ARG HG2 H 1 1.349 0.020 . 1 . . . . . 20 ARG HG2 . 51020 1 110 . 1 . 1 20 20 ARG HG3 H 1 1.349 0.020 . 1 . . . . . 20 ARG HG3 . 51020 1 111 . 1 . 1 20 20 ARG HD2 H 1 2.899 0.020 . 1 . . . . . 20 ARG HD2 . 51020 1 112 . 1 . 1 20 20 ARG HD3 H 1 2.899 0.020 . 1 . . . . . 20 ARG HD3 . 51020 1 113 . 1 . 1 20 20 ARG C C 13 174.896 0.3 . 1 . . . . . 20 ARG C . 51020 1 114 . 1 . 1 20 20 ARG CA C 13 55.303 0.3 . 1 . . . . . 20 ARG CA . 51020 1 115 . 1 . 1 20 20 ARG CB C 13 30.041 0.3 . 1 . . . . . 20 ARG CB . 51020 1 116 . 1 . 1 20 20 ARG N N 15 126.197 0.3 . 1 . . . . . 20 ARG N . 51020 1 117 . 1 . 1 21 21 LYS H H 1 9.100 0.020 . 1 . . . . . 21 LYS H . 51020 1 118 . 1 . 1 21 21 LYS HA H 1 4.690 0.020 . 1 . . . . . 21 LYS HA . 51020 1 119 . 1 . 1 21 21 LYS HB2 H 1 1.373 0.020 . 1 . . . . . 21 LYS HB2 . 51020 1 120 . 1 . 1 21 21 LYS HB3 H 1 1.373 0.020 . 1 . . . . . 21 LYS HB3 . 51020 1 121 . 1 . 1 21 21 LYS HG2 H 1 1.144 0.020 . 2 . . . . . 21 LYS HG2 . 51020 1 122 . 1 . 1 21 21 LYS HG3 H 1 1.137 0.020 . 2 . . . . . 21 LYS HG3 . 51020 1 123 . 1 . 1 21 21 LYS C C 13 174.001 0.3 . 1 . . . . . 21 LYS C . 51020 1 124 . 1 . 1 21 21 LYS CA C 13 54.172 0.3 . 1 . . . . . 21 LYS CA . 51020 1 125 . 1 . 1 21 21 LYS N N 15 124.988 0.3 . 1 . . . . . 21 LYS N . 51020 1 126 . 1 . 1 22 22 LEU H H 1 8.995 0.020 . 1 . . . . . 22 LEU H . 51020 1 127 . 1 . 1 22 22 LEU HA H 1 5.318 0.020 . 1 . . . . . 22 LEU HA . 51020 1 128 . 1 . 1 22 22 LEU HG H 1 1.467 0.020 . 1 . . . . . 22 LEU HG . 51020 1 129 . 1 . 1 22 22 LEU HD11 H 1 0.515 0.020 . 2 . . . . . 22 LEU HD1 . 51020 1 130 . 1 . 1 22 22 LEU HD12 H 1 0.515 0.020 . 2 . . . . . 22 LEU HD1 . 51020 1 131 . 1 . 1 22 22 LEU HD13 H 1 0.515 0.020 . 2 . . . . . 22 LEU HD1 . 51020 1 132 . 1 . 1 22 22 LEU HD21 H 1 0.525 0.020 . 2 . . . . . 22 LEU HD2 . 51020 1 133 . 1 . 1 22 22 LEU HD22 H 1 0.525 0.020 . 2 . . . . . 22 LEU HD2 . 51020 1 134 . 1 . 1 22 22 LEU HD23 H 1 0.525 0.020 . 2 . . . . . 22 LEU HD2 . 51020 1 135 . 1 . 1 22 22 LEU C C 13 177.208 0.3 . 1 . . . . . 22 LEU C . 51020 1 136 . 1 . 1 22 22 LEU CA C 13 53.384 0.3 . 1 . . . . . 22 LEU CA . 51020 1 137 . 1 . 1 22 22 LEU CB C 13 42.932 0.3 . 1 . . . . . 22 LEU CB . 51020 1 138 . 1 . 1 22 22 LEU CG C 13 27.873 0.3 . 1 . . . . . 22 LEU CG . 51020 1 139 . 1 . 1 22 22 LEU CD1 C 13 24.317 0.3 . 1 . . . . . 22 LEU CD1 . 51020 1 140 . 1 . 1 22 22 LEU CD2 C 13 24.250 0.3 . 1 . . . . . 22 LEU CD2 . 51020 1 141 . 1 . 1 22 22 LEU N N 15 126.053 0.3 . 1 . . . . . 22 LEU N . 51020 1 142 . 1 . 1 23 23 THR H H 1 8.983 0.020 . 1 . . . . . 23 THR H . 51020 1 143 . 1 . 1 23 23 THR HA H 1 4.666 0.020 . 1 . . . . . 23 THR HA . 51020 1 144 . 1 . 1 23 23 THR HB H 1 4.044 0.020 . 1 . . . . . 23 THR HB . 51020 1 145 . 1 . 1 23 23 THR HG21 H 1 1.051 0.020 . 1 . . . . . 23 THR HG2 . 51020 1 146 . 1 . 1 23 23 THR HG22 H 1 1.051 0.020 . 1 . . . . . 23 THR HG2 . 51020 1 147 . 1 . 1 23 23 THR HG23 H 1 1.051 0.020 . 1 . . . . . 23 THR HG2 . 51020 1 148 . 1 . 1 23 23 THR C C 13 173.069 0.3 . 1 . . . . . 23 THR C . 51020 1 149 . 1 . 1 23 23 THR CA C 13 60.535 0.3 . 1 . . . . . 23 THR CA . 51020 1 150 . 1 . 1 23 23 THR CB C 13 71.070 0.3 . 1 . . . . . 23 THR CB . 51020 1 151 . 1 . 1 23 23 THR CG2 C 13 21.254 0.3 . 1 . . . . . 23 THR CG2 . 51020 1 152 . 1 . 1 23 23 THR N N 15 117.560 0.3 . 1 . . . . . 23 THR N . 51020 1 153 . 1 . 1 24 24 GLN H H 1 8.955 0.020 . 1 . . . . . 24 GLN H . 51020 1 154 . 1 . 1 24 24 GLN HA H 1 4.198 0.020 . 1 . . . . . 24 GLN HA . 51020 1 155 . 1 . 1 24 24 GLN HB2 H 1 1.624 0.020 . 1 . . . . . 24 GLN HB2 . 51020 1 156 . 1 . 1 24 24 GLN HB3 H 1 1.624 0.020 . 1 . . . . . 24 GLN HB3 . 51020 1 157 . 1 . 1 24 24 GLN HE21 H 1 7.220 0.020 . 1 . . . . . 24 GLN HE21 . 51020 1 158 . 1 . 1 24 24 GLN HE22 H 1 6.813 0.020 . 1 . . . . . 24 GLN HE22 . 51020 1 159 . 1 . 1 24 24 GLN C C 13 175.642 0.3 . 1 . . . . . 24 GLN C . 51020 1 160 . 1 . 1 24 24 GLN CA C 13 55.182 0.3 . 1 . . . . . 24 GLN CA . 51020 1 161 . 1 . 1 24 24 GLN CB C 13 30.041 0.3 . 1 . . . . . 24 GLN CB . 51020 1 162 . 1 . 1 24 24 GLN N N 15 126.252 0.3 . 1 . . . . . 24 GLN N . 51020 1 163 . 1 . 1 24 24 GLN NE2 N 15 111.831 0.3 . 1 . . . . . 24 GLN NE2 . 51020 1 164 . 1 . 1 25 25 ARG H H 1 8.764 0.020 . 1 . . . . . 25 ARG H . 51020 1 165 . 1 . 1 25 25 ARG HA H 1 3.910 0.020 . 1 . . . . . 25 ARG HA . 51020 1 166 . 1 . 1 25 25 ARG HB2 H 1 2.042 0.020 . 1 . . . . . 25 ARG HB2 . 51020 1 167 . 1 . 1 25 25 ARG HB3 H 1 2.042 0.020 . 1 . . . . . 25 ARG HB3 . 51020 1 168 . 1 . 1 25 25 ARG HG2 H 1 1.544 0.020 . 2 . . . . . 25 ARG HG2 . 51020 1 169 . 1 . 1 25 25 ARG HG3 H 1 1.534 0.020 . 2 . . . . . 25 ARG HG3 . 51020 1 170 . 1 . 1 25 25 ARG HD2 H 1 2.978 0.020 . 1 . . . . . 25 ARG HD2 . 51020 1 171 . 1 . 1 25 25 ARG HD3 H 1 2.978 0.020 . 1 . . . . . 25 ARG HD3 . 51020 1 172 . 1 . 1 25 25 ARG C C 13 177.394 0.3 . 1 . . . . . 25 ARG C . 51020 1 173 . 1 . 1 25 25 ARG CA C 13 56.340 0.3 . 1 . . . . . 25 ARG CA . 51020 1 174 . 1 . 1 25 25 ARG CB C 13 30.147 0.3 . 1 . . . . . 25 ARG CB . 51020 1 175 . 1 . 1 25 25 ARG CG C 13 26.805 0.3 . 1 . . . . . 25 ARG CG . 51020 1 176 . 1 . 1 25 25 ARG CD C 13 43.133 0.3 . 1 . . . . . 25 ARG CD . 51020 1 177 . 1 . 1 25 25 ARG N N 15 126.147 0.3 . 1 . . . . . 25 ARG N . 51020 1 178 . 1 . 1 26 26 LYS H H 1 8.840 0.020 . 1 . . . . . 26 LYS H . 51020 1 179 . 1 . 1 26 26 LYS HA H 1 4.248 0.020 . 1 . . . . . 26 LYS HA . 51020 1 180 . 1 . 1 26 26 LYS HB2 H 1 1.603 0.020 . 1 . . . . . 26 LYS HB2 . 51020 1 181 . 1 . 1 26 26 LYS HB3 H 1 1.603 0.020 . 1 . . . . . 26 LYS HB3 . 51020 1 182 . 1 . 1 26 26 LYS HG2 H 1 1.349 0.020 . 1 . . . . . 26 LYS HG2 . 51020 1 183 . 1 . 1 26 26 LYS HG3 H 1 1.349 0.020 . 1 . . . . . 26 LYS HG3 . 51020 1 184 . 1 . 1 26 26 LYS HD2 H 1 1.603 0.020 . 1 . . . . . 26 LYS HD2 . 51020 1 185 . 1 . 1 26 26 LYS HD3 H 1 1.603 0.020 . 1 . . . . . 26 LYS HD3 . 51020 1 186 . 1 . 1 26 26 LYS HE2 H 1 2.923 0.020 . 1 . . . . . 26 LYS HE2 . 51020 1 187 . 1 . 1 26 26 LYS HE3 H 1 2.923 0.020 . 1 . . . . . 26 LYS HE3 . 51020 1 188 . 1 . 1 26 26 LYS C C 13 175.977 0.3 . 1 . . . . . 26 LYS C . 51020 1 189 . 1 . 1 26 26 LYS CA C 13 56.380 0.3 . 1 . . . . . 26 LYS CA . 51020 1 190 . 1 . 1 26 26 LYS CB C 13 32.917 0.3 . 1 . . . . . 26 LYS CB . 51020 1 191 . 1 . 1 26 26 LYS N N 15 123.869 0.3 . 1 . . . . . 26 LYS N . 51020 1 192 . 1 . 1 27 27 SER H H 1 7.858 0.020 . 1 . . . . . 27 SER H . 51020 1 193 . 1 . 1 27 27 SER HA H 1 4.435 0.020 . 1 . . . . . 27 SER HA . 51020 1 194 . 1 . 1 27 27 SER HB2 H 1 3.735 0.020 . 1 . . . . . 27 SER HB2 . 51020 1 195 . 1 . 1 27 27 SER HB3 H 1 3.735 0.020 . 1 . . . . . 27 SER HB3 . 51020 1 196 . 1 . 1 27 27 SER C C 13 173.778 0.3 . 1 . . . . . 27 SER C . 51020 1 197 . 1 . 1 27 27 SER CA C 13 57.115 0.3 . 1 . . . . . 27 SER CA . 51020 1 198 . 1 . 1 27 27 SER CB C 13 64.452 0.3 . 1 . . . . . 27 SER CB . 51020 1 199 . 1 . 1 27 27 SER N N 15 113.506 0.3 . 1 . . . . . 27 SER N . 51020 1 200 . 1 . 1 28 28 GLY H H 1 8.585 0.020 . 1 . . . . . 28 GLY H . 51020 1 201 . 1 . 1 28 28 GLY HA2 H 1 4.106 0.020 . 2 . . . . . 28 GLY HA2 . 51020 1 202 . 1 . 1 28 28 GLY HA3 H 1 3.547 0.020 . 2 . . . . . 28 GLY HA3 . 51020 1 203 . 1 . 1 28 28 GLY C C 13 174.971 0.3 . 1 . . . . . 28 GLY C . 51020 1 204 . 1 . 1 28 28 GLY CA C 13 44.794 0.3 . 1 . . . . . 28 GLY CA . 51020 1 205 . 1 . 1 28 28 GLY N N 15 109.226 0.3 . 1 . . . . . 28 GLY N . 51020 1 206 . 1 . 1 29 29 ARG H H 1 8.744 0.020 . 1 . . . . . 29 ARG H . 51020 1 207 . 1 . 1 29 29 ARG HA H 1 4.064 0.020 . 1 . . . . . 29 ARG HA . 51020 1 208 . 1 . 1 29 29 ARG HB2 H 1 1.687 0.020 . 1 . . . . . 29 ARG HB2 . 51020 1 209 . 1 . 1 29 29 ARG HB3 H 1 1.687 0.020 . 1 . . . . . 29 ARG HB3 . 51020 1 210 . 1 . 1 29 29 ARG HG2 H 1 1.349 0.020 . 1 . . . . . 29 ARG HG2 . 51020 1 211 . 1 . 1 29 29 ARG HG3 H 1 1.349 0.020 . 1 . . . . . 29 ARG HG3 . 51020 1 212 . 1 . 1 29 29 ARG HD2 H 1 2.987 0.020 . 1 . . . . . 29 ARG HD2 . 51020 1 213 . 1 . 1 29 29 ARG HD3 H 1 2.987 0.020 . 1 . . . . . 29 ARG HD3 . 51020 1 214 . 1 . 1 29 29 ARG C C 13 177.301 0.3 . 1 . . . . . 29 ARG C . 51020 1 215 . 1 . 1 29 29 ARG CA C 13 57.560 0.3 . 1 . . . . . 29 ARG CA . 51020 1 216 . 1 . 1 29 29 ARG CB C 13 29.794 0.3 . 1 . . . . . 29 ARG CB . 51020 1 217 . 1 . 1 29 29 ARG CG C 13 26.772 0.3 . 1 . . . . . 29 ARG CG . 51020 1 218 . 1 . 1 29 29 ARG CD C 13 42.905 0.3 . 1 . . . . . 29 ARG CD . 51020 1 219 . 1 . 1 29 29 ARG N N 15 120.728 0.3 . 1 . . . . . 29 ARG N . 51020 1 220 . 1 . 1 30 30 SER H H 1 8.432 0.020 . 1 . . . . . 30 SER H . 51020 1 221 . 1 . 1 30 30 SER HA H 1 4.379 0.020 . 1 . . . . . 30 SER HA . 51020 1 222 . 1 . 1 30 30 SER HB2 H 1 3.767 0.020 . 1 . . . . . 30 SER HB2 . 51020 1 223 . 1 . 1 30 30 SER HB3 H 1 3.767 0.020 . 1 . . . . . 30 SER HB3 . 51020 1 224 . 1 . 1 30 30 SER C C 13 173.050 0.3 . 1 . . . . . 30 SER C . 51020 1 225 . 1 . 1 30 30 SER CA C 13 57.291 0.3 . 1 . . . . . 30 SER CA . 51020 1 226 . 1 . 1 30 30 SER CB C 13 62.534 0.3 . 1 . . . . . 30 SER CB . 51020 1 227 . 1 . 1 30 30 SER N N 15 114.483 0.3 . 1 . . . . . 30 SER N . 51020 1 228 . 1 . 1 31 31 ALA H H 1 7.510 0.020 . 1 . . . . . 31 ALA H . 51020 1 229 . 1 . 1 31 31 ALA HA H 1 3.679 0.020 . 1 . . . . . 31 ALA HA . 51020 1 230 . 1 . 1 31 31 ALA HB1 H 1 1.136 0.020 . 1 . . . . . 31 ALA HB . 51020 1 231 . 1 . 1 31 31 ALA HB2 H 1 1.136 0.020 . 1 . . . . . 31 ALA HB . 51020 1 232 . 1 . 1 31 31 ALA HB3 H 1 1.136 0.020 . 1 . . . . . 31 ALA HB . 51020 1 233 . 1 . 1 31 31 ALA C C 13 177.916 0.3 . 1 . . . . . 31 ALA C . 51020 1 234 . 1 . 1 31 31 ALA CA C 13 53.256 0.3 . 1 . . . . . 31 ALA CA . 51020 1 235 . 1 . 1 31 31 ALA CB C 13 17.829 0.3 . 1 . . . . . 31 ALA CB . 51020 1 236 . 1 . 1 31 31 ALA N N 15 123.151 0.3 . 1 . . . . . 31 ALA N . 51020 1 237 . 1 . 1 32 32 GLY H H 1 8.538 0.020 . 1 . . . . . 32 GLY H . 51020 1 238 . 1 . 1 32 32 GLY HA2 H 1 3.843 0.020 . 2 . . . . . 32 GLY HA2 . 51020 1 239 . 1 . 1 32 32 GLY HA3 H 1 4.113 0.020 . 2 . . . . . 32 GLY HA3 . 51020 1 240 . 1 . 1 32 32 GLY C C 13 174.094 0.3 . 1 . . . . . 32 GLY C . 51020 1 241 . 1 . 1 32 32 GLY CA C 13 44.635 0.3 . 1 . . . . . 32 GLY CA . 51020 1 242 . 1 . 1 32 32 GLY N N 15 110.096 0.3 . 1 . . . . . 32 GLY N . 51020 1 243 . 1 . 1 33 33 LYS H H 1 7.915 0.020 . 1 . . . . . 33 LYS H . 51020 1 244 . 1 . 1 33 33 LYS HA H 1 4.286 0.020 . 1 . . . . . 33 LYS HA . 51020 1 245 . 1 . 1 33 33 LYS HB2 H 1 1.588 0.020 . 1 . . . . . 33 LYS HB2 . 51020 1 246 . 1 . 1 33 33 LYS HB3 H 1 1.588 0.020 . 1 . . . . . 33 LYS HB3 . 51020 1 247 . 1 . 1 33 33 LYS HG2 H 1 1.349 0.020 . 1 . . . . . 33 LYS HG2 . 51020 1 248 . 1 . 1 33 33 LYS HE2 H 1 2.892 0.020 . 1 . . . . . 33 LYS HE2 . 51020 1 249 . 1 . 1 33 33 LYS HE3 H 1 2.892 0.020 . 1 . . . . . 33 LYS HE3 . 51020 1 250 . 1 . 1 33 33 LYS C C 13 175.269 0.3 . 1 . . . . . 33 LYS C . 51020 1 251 . 1 . 1 33 33 LYS CA C 13 55.901 0.3 . 1 . . . . . 33 LYS CA . 51020 1 252 . 1 . 1 33 33 LYS CB C 13 33.498 0.3 . 1 . . . . . 33 LYS CB . 51020 1 253 . 1 . 1 33 33 LYS CG C 13 24.874 0.3 . 1 . . . . . 33 LYS CG . 51020 1 254 . 1 . 1 33 33 LYS CD C 13 29.138 0.3 . 1 . . . . . 33 LYS CD . 51020 1 255 . 1 . 1 33 33 LYS N N 15 120.954 0.3 . 1 . . . . . 33 LYS N . 51020 1 256 . 1 . 1 34 34 TYR H H 1 8.630 0.020 . 1 . . . . . 34 TYR H . 51020 1 257 . 1 . 1 34 34 TYR HA H 1 5.027 0.020 . 1 . . . . . 34 TYR HA . 51020 1 258 . 1 . 1 34 34 TYR HB2 H 1 2.602 0.020 . 1 . . . . . 34 TYR HB2 . 51020 1 259 . 1 . 1 34 34 TYR HB3 H 1 2.602 0.020 . 1 . . . . . 34 TYR HB3 . 51020 1 260 . 1 . 1 34 34 TYR HD1 H 1 6.877 0.020 . 3 . . . . . 34 TYR HD1 . 51020 1 261 . 1 . 1 34 34 TYR HD2 H 1 6.896 0.020 . 3 . . . . . 34 TYR HD2 . 51020 1 262 . 1 . 1 34 34 TYR HE1 H 1 6.662 0.020 . 3 . . . . . 34 TYR HE1 . 51020 1 263 . 1 . 1 34 34 TYR HE2 H 1 6.765 0.020 . 3 . . . . . 34 TYR HE2 . 51020 1 264 . 1 . 1 34 34 TYR C C 13 174.933 0.3 . 1 . . . . . 34 TYR C . 51020 1 265 . 1 . 1 34 34 TYR CA C 13 57.699 0.3 . 1 . . . . . 34 TYR CA . 51020 1 266 . 1 . 1 34 34 TYR CB C 13 41.217 0.3 . 1 . . . . . 34 TYR CB . 51020 1 267 . 1 . 1 34 34 TYR CD1 C 13 132.836 0.3 . 1 . . . . . 34 TYR CD1 . 51020 1 268 . 1 . 1 34 34 TYR CE1 C 13 117.703 0.3 . 1 . . . . . 34 TYR CE1 . 51020 1 269 . 1 . 1 34 34 TYR N N 15 119.572 0.3 . 1 . . . . . 34 TYR N . 51020 1 270 . 1 . 1 35 35 ASP H H 1 8.699 0.020 . 1 . . . . . 35 ASP H . 51020 1 271 . 1 . 1 35 35 ASP HA H 1 4.870 0.020 . 1 . . . . . 35 ASP HA . 51020 1 272 . 1 . 1 35 35 ASP HB2 H 1 2.418 0.020 . 2 . . . . . 35 ASP HB2 . 51020 1 273 . 1 . 1 35 35 ASP HB3 H 1 2.423 0.020 . 2 . . . . . 35 ASP HB3 . 51020 1 274 . 1 . 1 35 35 ASP C C 13 173.759 0.3 . 1 . . . . . 35 ASP C . 51020 1 275 . 1 . 1 35 35 ASP CA C 13 53.624 0.3 . 1 . . . . . 35 ASP CA . 51020 1 276 . 1 . 1 35 35 ASP CB C 13 44.210 0.3 . 1 . . . . . 35 ASP CB . 51020 1 277 . 1 . 1 35 35 ASP N N 15 118.245 0.3 . 1 . . . . . 35 ASP N . 51020 1 278 . 1 . 1 36 36 ALA H H 1 8.663 0.020 . 1 . . . . . 36 ALA H . 51020 1 279 . 1 . 1 36 36 ALA HA H 1 5.112 0.020 . 1 . . . . . 36 ALA HA . 51020 1 280 . 1 . 1 36 36 ALA HB1 H 1 1.087 0.020 . 1 . . . . . 36 ALA HB . 51020 1 281 . 1 . 1 36 36 ALA HB2 H 1 1.087 0.020 . 1 . . . . . 36 ALA HB . 51020 1 282 . 1 . 1 36 36 ALA HB3 H 1 1.087 0.020 . 1 . . . . . 36 ALA HB . 51020 1 283 . 1 . 1 36 36 ALA C C 13 175.679 0.3 . 1 . . . . . 36 ALA C . 51020 1 284 . 1 . 1 36 36 ALA CA C 13 50.867 0.3 . 1 . . . . . 36 ALA CA . 51020 1 285 . 1 . 1 36 36 ALA CB C 13 20.274 0.3 . 1 . . . . . 36 ALA CB . 51020 1 286 . 1 . 1 36 36 ALA N N 15 123.368 0.3 . 1 . . . . . 36 ALA N . 51020 1 287 . 1 . 1 37 37 TYR H H 1 8.871 0.020 . 1 . . . . . 37 TYR H . 51020 1 288 . 1 . 1 37 37 TYR HA H 1 5.173 0.020 . 1 . . . . . 37 TYR HA . 51020 1 289 . 1 . 1 37 37 TYR HB2 H 1 2.883 0.020 . 1 . . . . . 37 TYR HB2 . 51020 1 290 . 1 . 1 37 37 TYR HB3 H 1 2.883 0.020 . 1 . . . . . 37 TYR HB3 . 51020 1 291 . 1 . 1 37 37 TYR HD1 H 1 6.946 0.020 . 1 . . . . . 37 TYR HD1 . 51020 1 292 . 1 . 1 37 37 TYR HD2 H 1 6.946 0.020 . 1 . . . . . 37 TYR HD2 . 51020 1 293 . 1 . 1 37 37 TYR HE1 H 1 6.660 0.020 . 3 . . . . . 37 TYR HE1 . 51020 1 294 . 1 . 1 37 37 TYR HE2 H 1 6.706 0.020 . 3 . . . . . 37 TYR HE2 . 51020 1 295 . 1 . 1 37 37 TYR CA C 13 55.701 0.3 . 1 . . . . . 37 TYR CA . 51020 1 296 . 1 . 1 37 37 TYR CB C 13 40.481 0.3 . 1 . . . . . 37 TYR CB . 51020 1 297 . 1 . 1 37 37 TYR CD1 C 13 132.346 0.3 . 1 . . . . . 37 TYR CD1 . 51020 1 298 . 1 . 1 37 37 TYR CE1 C 13 117.835 0.3 . 1 . . . . . 37 TYR CE1 . 51020 1 299 . 1 . 1 37 37 TYR N N 15 118.636 0.3 . 1 . . . . . 37 TYR N . 51020 1 300 . 1 . 1 38 38 LEU HA H 1 5.286 0.020 . 1 . . . . . 38 LEU HA . 51020 1 301 . 1 . 1 38 38 LEU HB2 H 1 1.587 0.020 . 2 . . . . . 38 LEU HB2 . 51020 1 302 . 1 . 1 38 38 LEU HB3 H 1 1.796 0.020 . 2 . . . . . 38 LEU HB3 . 51020 1 303 . 1 . 1 38 38 LEU HG H 1 1.378 0.020 . 1 . . . . . 38 LEU HG . 51020 1 304 . 1 . 1 38 38 LEU C C 13 175.511 0.3 . 1 . . . . . 38 LEU C . 51020 1 305 . 1 . 1 38 38 LEU CA C 13 53.212 0.3 . 1 . . . . . 38 LEU CA . 51020 1 306 . 1 . 1 39 39 ILE H H 1 9.427 0.020 . 1 . . . . . 39 ILE H . 51020 1 307 . 1 . 1 39 39 ILE HA H 1 4.936 0.020 . 1 . . . . . 39 ILE HA . 51020 1 308 . 1 . 1 39 39 ILE HB H 1 1.748 0.020 . 1 . . . . . 39 ILE HB . 51020 1 309 . 1 . 1 39 39 ILE HG12 H 1 1.239 0.020 . 2 . . . . . 39 ILE HG12 . 51020 1 310 . 1 . 1 39 39 ILE HG13 H 1 0.911 0.020 . 2 . . . . . 39 ILE HG13 . 51020 1 311 . 1 . 1 39 39 ILE HD11 H 1 0.597 0.020 . 1 . . . . . 39 ILE HD1 . 51020 1 312 . 1 . 1 39 39 ILE HD12 H 1 0.597 0.020 . 1 . . . . . 39 ILE HD1 . 51020 1 313 . 1 . 1 39 39 ILE HD13 H 1 0.597 0.020 . 1 . . . . . 39 ILE HD1 . 51020 1 314 . 1 . 1 39 39 ILE C C 13 175.959 0.3 . 1 . . . . . 39 ILE C . 51020 1 315 . 1 . 1 39 39 ILE CA C 13 59.017 0.3 . 1 . . . . . 39 ILE CA . 51020 1 316 . 1 . 1 39 39 ILE CB C 13 38.157 0.3 . 1 . . . . . 39 ILE CB . 51020 1 317 . 1 . 1 39 39 ILE CG1 C 13 29.154 0.3 . 1 . . . . . 39 ILE CG1 . 51020 1 318 . 1 . 1 39 39 ILE CG2 C 13 17.250 0.3 . 1 . . . . . 39 ILE CG2 . 51020 1 319 . 1 . 1 39 39 ILE CD1 C 13 12.782 0.3 . 1 . . . . . 39 ILE CD1 . 51020 1 320 . 1 . 1 39 39 ILE N N 15 123.105 0.3 . 1 . . . . . 39 ILE N . 51020 1 321 . 1 . 1 40 40 ASN H H 1 8.359 0.020 . 1 . . . . . 40 ASN H . 51020 1 322 . 1 . 1 40 40 ASN HA H 1 3.048 0.020 . 1 . . . . . 40 ASN HA . 51020 1 323 . 1 . 1 40 40 ASN HB2 H 1 1.513 0.020 . 2 . . . . . 40 ASN HB2 . 51020 1 324 . 1 . 1 40 40 ASN HB3 H 1 1.516 0.020 . 2 . . . . . 40 ASN HB3 . 51020 1 325 . 1 . 1 40 40 ASN HD21 H 1 6.854 0.020 . 1 . . . . . 40 ASN HD21 . 51020 1 326 . 1 . 1 40 40 ASN HD22 H 1 6.507 0.020 . 1 . . . . . 40 ASN HD22 . 51020 1 327 . 1 . 1 40 40 ASN CA C 13 50.954 0.3 . 1 . . . . . 40 ASN CA . 51020 1 328 . 1 . 1 40 40 ASN CB C 13 35.925 0.3 . 1 . . . . . 40 ASN CB . 51020 1 329 . 1 . 1 40 40 ASN N N 15 126.040 0.3 . 1 . . . . . 40 ASN N . 51020 1 330 . 1 . 1 40 40 ASN ND2 N 15 108.921 0.3 . 1 . . . . . 40 ASN ND2 . 51020 1 331 . 1 . 1 41 41 PRO HA H 1 4.105 0.020 . 1 . . . . . 41 PRO HA . 51020 1 332 . 1 . 1 41 41 PRO HB2 H 1 1.687 0.020 . 1 . . . . . 41 PRO HB2 . 51020 1 333 . 1 . 1 41 41 PRO HB3 H 1 1.687 0.020 . 1 . . . . . 41 PRO HB3 . 51020 1 334 . 1 . 1 41 41 PRO HG2 H 1 1.355 0.020 . 1 . . . . . 41 PRO HG2 . 51020 1 335 . 1 . 1 41 41 PRO HG3 H 1 1.355 0.020 . 1 . . . . . 41 PRO HG3 . 51020 1 336 . 1 . 1 41 41 PRO HD2 H 1 3.076 0.020 . 1 . . . . . 41 PRO HD2 . 51020 1 337 . 1 . 1 41 41 PRO HD3 H 1 3.076 0.020 . 1 . . . . . 41 PRO HD3 . 51020 1 338 . 1 . 1 41 41 PRO C C 13 176.854 0.3 . 1 . . . . . 41 PRO C . 51020 1 339 . 1 . 1 41 41 PRO CA C 13 64.969 0.3 . 1 . . . . . 41 PRO CA . 51020 1 340 . 1 . 1 41 41 PRO CB C 13 33.450 0.3 . 1 . . . . . 41 PRO CB . 51020 1 341 . 1 . 1 41 41 PRO CD C 13 49.630 0.3 . 1 . . . . . 41 PRO CD . 51020 1 342 . 1 . 1 42 42 GLN H H 1 6.821 0.020 . 1 . . . . . 42 GLN H . 51020 1 343 . 1 . 1 42 42 GLN HA H 1 4.133 0.020 . 1 . . . . . 42 GLN HA . 51020 1 344 . 1 . 1 42 42 GLN HB2 H 1 2.147 0.020 . 2 . . . . . 42 GLN HB2 . 51020 1 345 . 1 . 1 42 42 GLN HB3 H 1 2.141 0.020 . 2 . . . . . 42 GLN HB3 . 51020 1 346 . 1 . 1 42 42 GLN HE21 H 1 7.569 0.020 . 1 . . . . . 42 GLN HE21 . 51020 1 347 . 1 . 1 42 42 GLN HE22 H 1 6.877 0.020 . 1 . . . . . 42 GLN HE22 . 51020 1 348 . 1 . 1 42 42 GLN C C 13 176.052 0.3 . 1 . . . . . 42 GLN C . 51020 1 349 . 1 . 1 42 42 GLN CA C 13 55.854 0.3 . 1 . . . . . 42 GLN CA . 51020 1 350 . 1 . 1 42 42 GLN CB C 13 28.309 0.3 . 1 . . . . . 42 GLN CB . 51020 1 351 . 1 . 1 42 42 GLN CG C 13 34.541 0.3 . 1 . . . . . 42 GLN CG . 51020 1 352 . 1 . 1 42 42 GLN N N 15 112.495 0.3 . 1 . . . . . 42 GLN N . 51020 1 353 . 1 . 1 42 42 GLN NE2 N 15 112.559 0.3 . 1 . . . . . 42 GLN NE2 . 51020 1 354 . 1 . 1 43 43 GLY H H 1 8.036 0.020 . 1 . . . . . 43 GLY H . 51020 1 355 . 1 . 1 43 43 GLY HA2 H 1 3.963 0.020 . 2 . . . . . 43 GLY HA2 . 51020 1 356 . 1 . 1 43 43 GLY HA3 H 1 3.278 0.020 . 2 . . . . . 43 GLY HA3 . 51020 1 357 . 1 . 1 43 43 GLY C C 13 173.740 0.3 . 1 . . . . . 43 GLY C . 51020 1 358 . 1 . 1 43 43 GLY CA C 13 45.074 0.3 . 1 . . . . . 43 GLY CA . 51020 1 359 . 1 . 1 43 43 GLY N N 15 108.301 0.3 . 1 . . . . . 43 GLY N . 51020 1 360 . 1 . 1 44 44 LYS H H 1 7.653 0.020 . 1 . . . . . 44 LYS H . 51020 1 361 . 1 . 1 44 44 LYS HA H 1 3.835 0.020 . 1 . . . . . 44 LYS HA . 51020 1 362 . 1 . 1 44 44 LYS HB2 H 1 1.116 0.020 . 2 . . . . . 44 LYS HB2 . 51020 1 363 . 1 . 1 44 44 LYS HB3 H 1 1.123 0.020 . 2 . . . . . 44 LYS HB3 . 51020 1 364 . 1 . 1 44 44 LYS HG2 H 1 0.718 0.020 . 1 . . . . . 44 LYS HG2 . 51020 1 365 . 1 . 1 44 44 LYS HG3 H 1 0.718 0.020 . 1 . . . . . 44 LYS HG3 . 51020 1 366 . 1 . 1 44 44 LYS C C 13 172.957 0.3 . 1 . . . . . 44 LYS C . 51020 1 367 . 1 . 1 44 44 LYS CA C 13 55.222 0.3 . 1 . . . . . 44 LYS CA . 51020 1 368 . 1 . 1 44 44 LYS CB C 13 31.809 0.3 . 1 . . . . . 44 LYS CB . 51020 1 369 . 1 . 1 44 44 LYS CG C 13 24.159 0.3 . 1 . . . . . 44 LYS CG . 51020 1 370 . 1 . 1 44 44 LYS CD C 13 27.873 0.3 . 1 . . . . . 44 LYS CD . 51020 1 371 . 1 . 1 44 44 LYS N N 15 123.346 0.3 . 1 . . . . . 44 LYS N . 51020 1 372 . 1 . 1 45 45 ALA H H 1 7.860 0.020 . 1 . . . . . 45 ALA H . 51020 1 373 . 1 . 1 45 45 ALA HA H 1 4.999 0.020 . 1 . . . . . 45 ALA HA . 51020 1 374 . 1 . 1 45 45 ALA HB1 H 1 1.024 0.020 . 1 . . . . . 45 ALA HB . 51020 1 375 . 1 . 1 45 45 ALA HB2 H 1 1.024 0.020 . 1 . . . . . 45 ALA HB . 51020 1 376 . 1 . 1 45 45 ALA HB3 H 1 1.024 0.020 . 1 . . . . . 45 ALA HB . 51020 1 377 . 1 . 1 45 45 ALA C C 13 177.133 0.3 . 1 . . . . . 45 ALA C . 51020 1 378 . 1 . 1 45 45 ALA CA C 13 49.985 0.3 . 1 . . . . . 45 ALA CA . 51020 1 379 . 1 . 1 45 45 ALA CB C 13 21.412 0.3 . 1 . . . . . 45 ALA CB . 51020 1 380 . 1 . 1 45 45 ALA N N 15 125.319 0.3 . 1 . . . . . 45 ALA N . 51020 1 381 . 1 . 1 46 46 PHE H H 1 9.554 0.020 . 1 . . . . . 46 PHE H . 51020 1 382 . 1 . 1 46 46 PHE HA H 1 4.689 0.020 . 1 . . . . . 46 PHE HA . 51020 1 383 . 1 . 1 46 46 PHE HB2 H 1 2.975 0.020 . 1 . . . . . 46 PHE HB2 . 51020 1 384 . 1 . 1 46 46 PHE HB3 H 1 2.975 0.020 . 1 . . . . . 46 PHE HB3 . 51020 1 385 . 1 . 1 46 46 PHE HD1 H 1 7.069 0.020 . 3 . . . . . 46 PHE HD1 . 51020 1 386 . 1 . 1 46 46 PHE HD2 H 1 7.042 0.020 . 3 . . . . . 46 PHE HD2 . 51020 1 387 . 1 . 1 46 46 PHE HE1 H 1 6.657 0.020 . 3 . . . . . 46 PHE HE1 . 51020 1 388 . 1 . 1 46 46 PHE HE2 H 1 6.725 0.020 . 3 . . . . . 46 PHE HE2 . 51020 1 389 . 1 . 1 46 46 PHE HZ H 1 5.712 0.020 . 1 . . . . . 46 PHE HZ . 51020 1 390 . 1 . 1 46 46 PHE C C 13 175.623 0.3 . 1 . . . . . 46 PHE C . 51020 1 391 . 1 . 1 46 46 PHE CA C 13 57.042 0.3 . 1 . . . . . 46 PHE CA . 51020 1 392 . 1 . 1 46 46 PHE CB C 13 41.866 0.3 . 1 . . . . . 46 PHE CB . 51020 1 393 . 1 . 1 46 46 PHE CD1 C 13 131.557 0.3 . 1 . . . . . 46 PHE CD1 . 51020 1 394 . 1 . 1 46 46 PHE CE1 C 13 130.778 0.3 . 1 . . . . . 46 PHE CE1 . 51020 1 395 . 1 . 1 46 46 PHE CZ C 13 128.647 0.3 . 1 . . . . . 46 PHE CZ . 51020 1 396 . 1 . 1 46 46 PHE N N 15 119.529 0.3 . 1 . . . . . 46 PHE N . 51020 1 397 . 1 . 1 47 47 ARG H H 1 9.408 0.020 . 1 . . . . . 47 ARG H . 51020 1 398 . 1 . 1 47 47 ARG HA H 1 4.459 0.020 . 1 . . . . . 47 ARG HA . 51020 1 399 . 1 . 1 47 47 ARG HB2 H 1 1.596 0.020 . 1 . . . . . 47 ARG HB2 . 51020 1 400 . 1 . 1 47 47 ARG HB3 H 1 1.596 0.020 . 1 . . . . . 47 ARG HB3 . 51020 1 401 . 1 . 1 47 47 ARG HG2 H 1 1.358 0.020 . 1 . . . . . 47 ARG HG2 . 51020 1 402 . 1 . 1 47 47 ARG HG3 H 1 1.358 0.020 . 1 . . . . . 47 ARG HG3 . 51020 1 403 . 1 . 1 47 47 ARG HD2 H 1 2.918 0.020 . 1 . . . . . 47 ARG HD2 . 51020 1 404 . 1 . 1 47 47 ARG HD3 H 1 2.918 0.020 . 1 . . . . . 47 ARG HD3 . 51020 1 405 . 1 . 1 47 47 ARG C C 13 175.176 0.3 . 1 . . . . . 47 ARG C . 51020 1 406 . 1 . 1 47 47 ARG CA C 13 55.861 0.3 . 1 . . . . . 47 ARG CA . 51020 1 407 . 1 . 1 47 47 ARG CB C 13 31.886 0.3 . 1 . . . . . 47 ARG CB . 51020 1 408 . 1 . 1 47 47 ARG CG C 13 27.339 0.3 . 1 . . . . . 47 ARG CG . 51020 1 409 . 1 . 1 47 47 ARG CD C 13 43.138 0.3 . 1 . . . . . 47 ARG CD . 51020 1 410 . 1 . 1 47 47 ARG N N 15 120.702 0.3 . 1 . . . . . 47 ARG N . 51020 1 411 . 1 . 1 48 48 ASN H H 1 7.110 0.020 . 1 . . . . . 48 ASN H . 51020 1 412 . 1 . 1 48 48 ASN HA H 1 3.077 0.020 . 1 . . . . . 48 ASN HA . 51020 1 413 . 1 . 1 48 48 ASN HB2 H 1 1.517 0.020 . 1 . . . . . 48 ASN HB2 . 51020 1 414 . 1 . 1 48 48 ASN HB3 H 1 1.517 0.020 . 1 . . . . . 48 ASN HB3 . 51020 1 415 . 1 . 1 48 48 ASN HD21 H 1 7.407 0.020 . 1 . . . . . 48 ASN HD21 . 51020 1 416 . 1 . 1 48 48 ASN HD22 H 1 6.713 0.020 . 1 . . . . . 48 ASN HD22 . 51020 1 417 . 1 . 1 48 48 ASN C C 13 173.983 0.3 . 1 . . . . . 48 ASN C . 51020 1 418 . 1 . 1 48 48 ASN CA C 13 51.267 0.3 . 1 . . . . . 48 ASN CA . 51020 1 419 . 1 . 1 48 48 ASN CB C 13 38.990 0.3 . 1 . . . . . 48 ASN CB . 51020 1 420 . 1 . 1 48 48 ASN N N 15 110.213 0.3 . 1 . . . . . 48 ASN N . 51020 1 421 . 1 . 1 48 48 ASN ND2 N 15 114.010 0.3 . 1 . . . . . 48 ASN ND2 . 51020 1 422 . 1 . 1 49 49 LYS H H 1 8.195 0.020 . 1 . . . . . 49 LYS H . 51020 1 423 . 1 . 1 49 49 LYS HA H 1 4.142 0.020 . 1 . . . . . 49 LYS HA . 51020 1 424 . 1 . 1 49 49 LYS HB2 H 1 1.640 0.020 . 1 . . . . . 49 LYS HB2 . 51020 1 425 . 1 . 1 49 49 LYS HB3 H 1 1.640 0.020 . 1 . . . . . 49 LYS HB3 . 51020 1 426 . 1 . 1 49 49 LYS HG2 H 1 1.358 0.020 . 1 . . . . . 49 LYS HG2 . 51020 1 427 . 1 . 1 49 49 LYS HG3 H 1 1.358 0.020 . 1 . . . . . 49 LYS HG3 . 51020 1 428 . 1 . 1 49 49 LYS HE2 H 1 2.900 0.020 . 1 . . . . . 49 LYS HE2 . 51020 1 429 . 1 . 1 49 49 LYS HE3 H 1 2.900 0.020 . 1 . . . . . 49 LYS HE3 . 51020 1 430 . 1 . 1 49 49 LYS C C 13 176.854 0.3 . 1 . . . . . 49 LYS C . 51020 1 431 . 1 . 1 49 49 LYS CA C 13 58.987 0.3 . 1 . . . . . 49 LYS CA . 51020 1 432 . 1 . 1 49 49 LYS CB C 13 32.489 0.3 . 1 . . . . . 49 LYS CB . 51020 1 433 . 1 . 1 49 49 LYS CG C 13 24.427 0.3 . 1 . . . . . 49 LYS CG . 51020 1 434 . 1 . 1 49 49 LYS N N 15 117.916 0.3 . 1 . . . . . 49 LYS N . 51020 1 435 . 1 . 1 50 50 VAL H H 1 7.514 0.020 . 1 . . . . . 50 VAL H . 51020 1 436 . 1 . 1 50 50 VAL HA H 1 3.462 0.020 . 1 . . . . . 50 VAL HA . 51020 1 437 . 1 . 1 50 50 VAL HB H 1 1.995 0.020 . 1 . . . . . 50 VAL HB . 51020 1 438 . 1 . 1 50 50 VAL HG11 H 1 0.874 0.020 . 2 . . . . . 50 VAL HG1 . 51020 1 439 . 1 . 1 50 50 VAL HG12 H 1 0.874 0.020 . 2 . . . . . 50 VAL HG1 . 51020 1 440 . 1 . 1 50 50 VAL HG13 H 1 0.874 0.020 . 2 . . . . . 50 VAL HG1 . 51020 1 441 . 1 . 1 50 50 VAL HG21 H 1 0.849 0.020 . 2 . . . . . 50 VAL HG2 . 51020 1 442 . 1 . 1 50 50 VAL HG22 H 1 0.849 0.020 . 2 . . . . . 50 VAL HG2 . 51020 1 443 . 1 . 1 50 50 VAL HG23 H 1 0.849 0.020 . 2 . . . . . 50 VAL HG2 . 51020 1 444 . 1 . 1 50 50 VAL C C 13 179.371 0.3 . 1 . . . . . 50 VAL C . 51020 1 445 . 1 . 1 50 50 VAL CA C 13 66.607 0.3 . 1 . . . . . 50 VAL CA . 51020 1 446 . 1 . 1 50 50 VAL CB C 13 30.893 0.3 . 1 . . . . . 50 VAL CB . 51020 1 447 . 1 . 1 50 50 VAL CG1 C 13 22.178 0.3 . 1 . . . . . 50 VAL CG1 . 51020 1 448 . 1 . 1 50 50 VAL CG2 C 13 20.806 0.3 . 1 . . . . . 50 VAL CG2 . 51020 1 449 . 1 . 1 50 50 VAL N N 15 120.211 0.3 . 1 . . . . . 50 VAL N . 51020 1 450 . 1 . 1 51 51 GLU H H 1 8.073 0.020 . 1 . . . . . 51 GLU H . 51020 1 451 . 1 . 1 51 51 GLU HA H 1 4.076 0.020 . 1 . . . . . 51 GLU HA . 51020 1 452 . 1 . 1 51 51 GLU HB2 H 1 2.147 0.020 . 1 . . . . . 51 GLU HB2 . 51020 1 453 . 1 . 1 51 51 GLU HB3 H 1 2.147 0.020 . 1 . . . . . 51 GLU HB3 . 51020 1 454 . 1 . 1 51 51 GLU C C 13 179.893 0.3 . 1 . . . . . 51 GLU C . 51020 1 455 . 1 . 1 51 51 GLU CA C 13 58.817 0.3 . 1 . . . . . 51 GLU CA . 51020 1 456 . 1 . 1 51 51 GLU CB C 13 30.793 0.3 . 1 . . . . . 51 GLU CB . 51020 1 457 . 1 . 1 51 51 GLU CG C 13 36.441 0.3 . 1 . . . . . 51 GLU CG . 51020 1 458 . 1 . 1 51 51 GLU N N 15 119.247 0.3 . 1 . . . . . 51 GLU N . 51020 1 459 . 1 . 1 52 52 LEU H H 1 7.288 0.020 . 1 . . . . . 52 LEU H . 51020 1 460 . 1 . 1 52 52 LEU HA H 1 3.360 0.020 . 1 . . . . . 52 LEU HA . 51020 1 461 . 1 . 1 52 52 LEU HB2 H 1 1.315 0.020 . 1 . . . . . 52 LEU HB2 . 51020 1 462 . 1 . 1 52 52 LEU HB3 H 1 1.315 0.020 . 1 . . . . . 52 LEU HB3 . 51020 1 463 . 1 . 1 52 52 LEU C C 13 176.742 0.3 . 1 . . . . . 52 LEU C . 51020 1 464 . 1 . 1 52 52 LEU CA C 13 57.556 0.3 . 1 . . . . . 52 LEU CA . 51020 1 465 . 1 . 1 52 52 LEU CB C 13 42.280 0.3 . 1 . . . . . 52 LEU CB . 51020 1 466 . 1 . 1 52 52 LEU CD1 C 13 24.480 0.3 . 1 . . . . . 52 LEU CD1 . 51020 1 467 . 1 . 1 52 52 LEU N N 15 121.112 0.3 . 1 . . . . . 52 LEU N . 51020 1 468 . 1 . 1 53 53 ILE H H 1 8.393 0.020 . 1 . . . . . 53 ILE H . 51020 1 469 . 1 . 1 53 53 ILE HA H 1 3.414 0.020 . 1 . . . . . 53 ILE HA . 51020 1 470 . 1 . 1 53 53 ILE HB H 1 1.726 0.020 . 1 . . . . . 53 ILE HB . 51020 1 471 . 1 . 1 53 53 ILE HG12 H 1 1.020 0.020 . 1 . . . . . 53 ILE HG12 . 51020 1 472 . 1 . 1 53 53 ILE HG13 H 1 1.020 0.020 . 1 . . . . . 53 ILE HG13 . 51020 1 473 . 1 . 1 53 53 ILE HD11 H 1 0.789 0.020 . 1 . . . . . 53 ILE HD1 . 51020 1 474 . 1 . 1 53 53 ILE HD12 H 1 0.789 0.020 . 1 . . . . . 53 ILE HD1 . 51020 1 475 . 1 . 1 53 53 ILE HD13 H 1 0.789 0.020 . 1 . . . . . 53 ILE HD1 . 51020 1 476 . 1 . 1 53 53 ILE C C 13 178.308 0.3 . 1 . . . . . 53 ILE C . 51020 1 477 . 1 . 1 53 53 ILE CA C 13 65.648 0.3 . 1 . . . . . 53 ILE CA . 51020 1 478 . 1 . 1 53 53 ILE CB C 13 35.492 0.3 . 1 . . . . . 53 ILE CB . 51020 1 479 . 1 . 1 53 53 ILE CG1 C 13 30.015 0.3 . 1 . . . . . 53 ILE CG1 . 51020 1 480 . 1 . 1 53 53 ILE CD1 C 13 13.743 0.3 . 1 . . . . . 53 ILE CD1 . 51020 1 481 . 1 . 1 53 53 ILE N N 15 118.500 0.3 . 1 . . . . . 53 ILE N . 51020 1 482 . 1 . 1 54 54 ALA H H 1 7.647 0.020 . 1 . . . . . 54 ALA H . 51020 1 483 . 1 . 1 54 54 ALA HA H 1 4.133 0.020 . 1 . . . . . 54 ALA HA . 51020 1 484 . 1 . 1 54 54 ALA HB1 H 1 1.443 0.020 . 1 . . . . . 54 ALA HB . 51020 1 485 . 1 . 1 54 54 ALA HB2 H 1 1.443 0.020 . 1 . . . . . 54 ALA HB . 51020 1 486 . 1 . 1 54 54 ALA HB3 H 1 1.443 0.020 . 1 . . . . . 54 ALA HB . 51020 1 487 . 1 . 1 54 54 ALA C C 13 180.284 0.3 . 1 . . . . . 54 ALA C . 51020 1 488 . 1 . 1 54 54 ALA CA C 13 54.670 0.3 . 1 . . . . . 54 ALA CA . 51020 1 489 . 1 . 1 54 54 ALA CB C 13 17.470 0.3 . 1 . . . . . 54 ALA CB . 51020 1 490 . 1 . 1 54 54 ALA N N 15 119.964 0.3 . 1 . . . . . 54 ALA N . 51020 1 491 . 1 . 1 55 55 TYR H H 1 7.662 0.020 . 1 . . . . . 55 TYR H . 51020 1 492 . 1 . 1 55 55 TYR HA H 1 4.360 0.020 . 1 . . . . . 55 TYR HA . 51020 1 493 . 1 . 1 55 55 TYR HB2 H 1 2.828 0.020 . 2 . . . . . 55 TYR HB2 . 51020 1 494 . 1 . 1 55 55 TYR HB3 H 1 3.291 0.020 . 2 . . . . . 55 TYR HB3 . 51020 1 495 . 1 . 1 55 55 TYR HD1 H 1 7.059 0.020 . 3 . . . . . 55 TYR HD1 . 51020 1 496 . 1 . 1 55 55 TYR HD2 H 1 7.050 0.020 . 3 . . . . . 55 TYR HD2 . 51020 1 497 . 1 . 1 55 55 TYR HE1 H 1 6.872 0.020 . 3 . . . . . 55 TYR HE1 . 51020 1 498 . 1 . 1 55 55 TYR HE2 H 1 6.922 0.020 . 3 . . . . . 55 TYR HE2 . 51020 1 499 . 1 . 1 55 55 TYR C C 13 176.705 0.3 . 1 . . . . . 55 TYR C . 51020 1 500 . 1 . 1 55 55 TYR CA C 13 61.174 0.3 . 1 . . . . . 55 TYR CA . 51020 1 501 . 1 . 1 55 55 TYR CB C 13 38.961 0.3 . 1 . . . . . 55 TYR CB . 51020 1 502 . 1 . 1 55 55 TYR CD1 C 13 133.039 0.3 . 1 . . . . . 55 TYR CD1 . 51020 1 503 . 1 . 1 55 55 TYR CE1 C 13 117.867 0.3 . 1 . . . . . 55 TYR CE1 . 51020 1 504 . 1 . 1 55 55 TYR N N 15 120.469 0.3 . 1 . . . . . 55 TYR N . 51020 1 505 . 1 . 1 56 56 PHE H H 1 8.633 0.020 . 1 . . . . . 56 PHE H . 51020 1 506 . 1 . 1 56 56 PHE HA H 1 4.322 0.020 . 1 . . . . . 56 PHE HA . 51020 1 507 . 1 . 1 56 56 PHE HB2 H 1 3.146 0.020 . 1 . . . . . 56 PHE HB2 . 51020 1 508 . 1 . 1 56 56 PHE HB3 H 1 3.146 0.020 . 1 . . . . . 56 PHE HB3 . 51020 1 509 . 1 . 1 56 56 PHE HD1 H 1 7.145 0.020 . 3 . . . . . 56 PHE HD1 . 51020 1 510 . 1 . 1 56 56 PHE HD2 H 1 7.184 0.020 . 3 . . . . . 56 PHE HD2 . 51020 1 511 . 1 . 1 56 56 PHE HE1 H 1 7.014 0.020 . 3 . . . . . 56 PHE HE1 . 51020 1 512 . 1 . 1 56 56 PHE HE2 H 1 7.028 0.020 . 3 . . . . . 56 PHE HE2 . 51020 1 513 . 1 . 1 56 56 PHE HZ H 1 6.632 0.020 . 1 . . . . . 56 PHE HZ . 51020 1 514 . 1 . 1 56 56 PHE CA C 13 57.723 0.3 . 1 . . . . . 56 PHE CA . 51020 1 515 . 1 . 1 56 56 PHE CB C 13 36.192 0.3 . 1 . . . . . 56 PHE CB . 51020 1 516 . 1 . 1 56 56 PHE CD1 C 13 129.657 0.3 . 1 . . . . . 56 PHE CD1 . 51020 1 517 . 1 . 1 56 56 PHE CE1 C 13 130.368 0.3 . 1 . . . . . 56 PHE CE1 . 51020 1 518 . 1 . 1 56 56 PHE CZ C 13 128.103 0.3 . 1 . . . . . 56 PHE CZ . 51020 1 519 . 1 . 1 56 56 PHE N N 15 118.514 0.3 . 1 . . . . . 56 PHE N . 51020 1 520 . 1 . 1 57 57 GLU C C 13 178.699 0.3 . 1 . . . . . 57 GLU C . 51020 1 521 . 1 . 1 58 58 LYS H H 1 7.786 0.020 . 1 . . . . . 58 LYS H . 51020 1 522 . 1 . 1 58 58 LYS HA H 1 4.003 0.020 . 1 . . . . . 58 LYS HA . 51020 1 523 . 1 . 1 58 58 LYS HB2 H 1 1.991 0.020 . 1 . . . . . 58 LYS HB2 . 51020 1 524 . 1 . 1 58 58 LYS HB3 H 1 1.991 0.020 . 1 . . . . . 58 LYS HB3 . 51020 1 525 . 1 . 1 58 58 LYS HG2 H 1 1.433 0.020 . 2 . . . . . 58 LYS HG2 . 51020 1 526 . 1 . 1 58 58 LYS HG3 H 1 1.313 0.020 . 2 . . . . . 58 LYS HG3 . 51020 1 527 . 1 . 1 58 58 LYS C C 13 178.942 0.3 . 1 . . . . . 58 LYS C . 51020 1 528 . 1 . 1 58 58 LYS CA C 13 58.977 0.3 . 1 . . . . . 58 LYS CA . 51020 1 529 . 1 . 1 58 58 LYS CB C 13 31.959 0.3 . 1 . . . . . 58 LYS CB . 51020 1 530 . 1 . 1 58 58 LYS CG C 13 24.540 0.3 . 1 . . . . . 58 LYS CG . 51020 1 531 . 1 . 1 58 58 LYS CD C 13 28.894 0.3 . 1 . . . . . 58 LYS CD . 51020 1 532 . 1 . 1 58 58 LYS N N 15 121.279 0.3 . 1 . . . . . 58 LYS N . 51020 1 533 . 1 . 1 59 59 VAL H H 1 7.926 0.020 . 1 . . . . . 59 VAL H . 51020 1 534 . 1 . 1 59 59 VAL HA H 1 4.183 0.020 . 1 . . . . . 59 VAL HA . 51020 1 535 . 1 . 1 59 59 VAL HB H 1 2.207 0.020 . 1 . . . . . 59 VAL HB . 51020 1 536 . 1 . 1 59 59 VAL HG11 H 1 0.619 0.020 . 2 . . . . . 59 VAL HG1 . 51020 1 537 . 1 . 1 59 59 VAL HG12 H 1 0.619 0.020 . 2 . . . . . 59 VAL HG1 . 51020 1 538 . 1 . 1 59 59 VAL HG13 H 1 0.619 0.020 . 2 . . . . . 59 VAL HG1 . 51020 1 539 . 1 . 1 59 59 VAL HG21 H 1 0.700 0.020 . 2 . . . . . 59 VAL HG2 . 51020 1 540 . 1 . 1 59 59 VAL HG22 H 1 0.700 0.020 . 2 . . . . . 59 VAL HG2 . 51020 1 541 . 1 . 1 59 59 VAL HG23 H 1 0.700 0.020 . 2 . . . . . 59 VAL HG2 . 51020 1 542 . 1 . 1 59 59 VAL C C 13 176.854 0.3 . 1 . . . . . 59 VAL C . 51020 1 543 . 1 . 1 59 59 VAL CA C 13 61.518 0.3 . 1 . . . . . 59 VAL CA . 51020 1 544 . 1 . 1 59 59 VAL CB C 13 31.619 0.3 . 1 . . . . . 59 VAL CB . 51020 1 545 . 1 . 1 59 59 VAL CG1 C 13 20.641 0.3 . 1 . . . . . 59 VAL CG1 . 51020 1 546 . 1 . 1 59 59 VAL CG2 C 13 18.623 0.3 . 1 . . . . . 59 VAL CG2 . 51020 1 547 . 1 . 1 59 59 VAL N N 15 109.881 0.3 . 1 . . . . . 59 VAL N . 51020 1 548 . 1 . 1 60 60 GLY H H 1 7.696 0.020 . 1 . . . . . 60 GLY H . 51020 1 549 . 1 . 1 60 60 GLY HA2 H 1 3.755 0.020 . 2 . . . . . 60 GLY HA2 . 51020 1 550 . 1 . 1 60 60 GLY HA3 H 1 3.865 0.020 . 2 . . . . . 60 GLY HA3 . 51020 1 551 . 1 . 1 60 60 GLY C C 13 173.983 0.3 . 1 . . . . . 60 GLY C . 51020 1 552 . 1 . 1 60 60 GLY CA C 13 46.393 0.3 . 1 . . . . . 60 GLY CA . 51020 1 553 . 1 . 1 60 60 GLY N N 15 112.120 0.3 . 1 . . . . . 60 GLY N . 51020 1 554 . 1 . 1 61 61 ASP H H 1 8.094 0.020 . 1 . . . . . 61 ASP H . 51020 1 555 . 1 . 1 61 61 ASP HA H 1 4.233 0.020 . 1 . . . . . 61 ASP HA . 51020 1 556 . 1 . 1 61 61 ASP C C 13 176.574 0.3 . 1 . . . . . 61 ASP C . 51020 1 557 . 1 . 1 61 61 ASP CA C 13 53.540 0.3 . 1 . . . . . 61 ASP CA . 51020 1 558 . 1 . 1 61 61 ASP CB C 13 41.721 0.3 . 1 . . . . . 61 ASP CB . 51020 1 559 . 1 . 1 61 61 ASP N N 15 119.997 0.3 . 1 . . . . . 61 ASP N . 51020 1 560 . 1 . 1 62 62 THR H H 1 8.451 0.020 . 1 . . . . . 62 THR H . 51020 1 561 . 1 . 1 62 62 THR HA H 1 4.380 0.020 . 1 . . . . . 62 THR HA . 51020 1 562 . 1 . 1 62 62 THR HB H 1 4.428 0.020 . 1 . . . . . 62 THR HB . 51020 1 563 . 1 . 1 62 62 THR HG21 H 1 0.965 0.020 . 1 . . . . . 62 THR HG2 . 51020 1 564 . 1 . 1 62 62 THR HG22 H 1 0.965 0.020 . 1 . . . . . 62 THR HG2 . 51020 1 565 . 1 . 1 62 62 THR HG23 H 1 0.965 0.020 . 1 . . . . . 62 THR HG2 . 51020 1 566 . 1 . 1 62 62 THR C C 13 174.896 0.3 . 1 . . . . . 62 THR C . 51020 1 567 . 1 . 1 62 62 THR CA C 13 60.488 0.3 . 1 . . . . . 62 THR CA . 51020 1 568 . 1 . 1 62 62 THR CB C 13 68.474 0.3 . 1 . . . . . 62 THR CB . 51020 1 569 . 1 . 1 62 62 THR CG2 C 13 21.023 0.3 . 1 . . . . . 62 THR CG2 . 51020 1 570 . 1 . 1 62 62 THR N N 15 116.779 0.3 . 1 . . . . . 62 THR N . 51020 1 571 . 1 . 1 63 63 SER H H 1 8.592 0.020 . 1 . . . . . 63 SER H . 51020 1 572 . 1 . 1 63 63 SER HA H 1 4.174 0.020 . 1 . . . . . 63 SER HA . 51020 1 573 . 1 . 1 63 63 SER HB2 H 1 3.804 0.020 . 1 . . . . . 63 SER HB2 . 51020 1 574 . 1 . 1 63 63 SER HB3 H 1 3.804 0.020 . 1 . . . . . 63 SER HB3 . 51020 1 575 . 1 . 1 63 63 SER C C 13 174.076 0.3 . 1 . . . . . 63 SER C . 51020 1 576 . 1 . 1 63 63 SER CA C 13 60.160 0.3 . 1 . . . . . 63 SER CA . 51020 1 577 . 1 . 1 63 63 SER CB C 13 63.493 0.3 . 1 . . . . . 63 SER CB . 51020 1 578 . 1 . 1 63 63 SER N N 15 119.061 0.3 . 1 . . . . . 63 SER N . 51020 1 579 . 1 . 1 64 64 LEU H H 1 7.641 0.020 . 1 . . . . . 64 LEU H . 51020 1 580 . 1 . 1 64 64 LEU HA H 1 4.282 0.020 . 1 . . . . . 64 LEU HA . 51020 1 581 . 1 . 1 64 64 LEU HB2 H 1 0.864 0.020 . 2 . . . . . 64 LEU HB2 . 51020 1 582 . 1 . 1 64 64 LEU HB3 H 1 1.012 0.020 . 2 . . . . . 64 LEU HB3 . 51020 1 583 . 1 . 1 64 64 LEU HG H 1 0.702 0.020 . 1 . . . . . 64 LEU HG . 51020 1 584 . 1 . 1 64 64 LEU C C 13 174.430 0.3 . 1 . . . . . 64 LEU C . 51020 1 585 . 1 . 1 64 64 LEU CA C 13 55.201 0.3 . 1 . . . . . 64 LEU CA . 51020 1 586 . 1 . 1 64 64 LEU CB C 13 43.707 0.3 . 1 . . . . . 64 LEU CB . 51020 1 587 . 1 . 1 64 64 LEU N N 15 122.907 0.3 . 1 . . . . . 64 LEU N . 51020 1 588 . 1 . 1 65 65 ASP H H 1 8.836 0.020 . 1 . . . . . 65 ASP H . 51020 1 589 . 1 . 1 65 65 ASP HA H 1 4.860 0.020 . 1 . . . . . 65 ASP HA . 51020 1 590 . 1 . 1 65 65 ASP CA C 13 49.870 0.3 . 1 . . . . . 65 ASP CA . 51020 1 591 . 1 . 1 65 65 ASP CB C 13 41.980 0.3 . 1 . . . . . 65 ASP CB . 51020 1 592 . 1 . 1 65 65 ASP N N 15 122.879 0.3 . 1 . . . . . 65 ASP N . 51020 1 593 . 1 . 1 66 66 PRO HA H 1 4.835 0.020 . 1 . . . . . 66 PRO HA . 51020 1 594 . 1 . 1 66 66 PRO HB2 H 1 1.977 0.020 . 2 . . . . . 66 PRO HB2 . 51020 1 595 . 1 . 1 66 66 PRO HB3 H 1 1.977 0.020 . 2 . . . . . 66 PRO HB3 . 51020 1 596 . 1 . 1 66 66 PRO C C 13 177.357 0.3 . 1 . . . . . 66 PRO C . 51020 1 597 . 1 . 1 66 66 PRO CA C 13 64.158 0.3 . 1 . . . . . 66 PRO CA . 51020 1 598 . 1 . 1 66 66 PRO CB C 13 32.278 0.3 . 1 . . . . . 66 PRO CB . 51020 1 599 . 1 . 1 66 66 PRO CG C 13 27.551 0.3 . 1 . . . . . 66 PRO CG . 51020 1 600 . 1 . 1 66 66 PRO CD C 13 50.844 0.3 . 1 . . . . . 66 PRO CD . 51020 1 601 . 1 . 1 67 67 ASN H H 1 8.783 0.020 . 1 . . . . . 67 ASN H . 51020 1 602 . 1 . 1 67 67 ASN HA H 1 4.518 0.020 . 1 . . . . . 67 ASN HA . 51020 1 603 . 1 . 1 67 67 ASN HB2 H 1 2.696 0.020 . 1 . . . . . 67 ASN HB2 . 51020 1 604 . 1 . 1 67 67 ASN HB3 H 1 2.696 0.020 . 1 . . . . . 67 ASN HB3 . 51020 1 605 . 1 . 1 67 67 ASN HD21 H 1 8.104 0.020 . 1 . . . . . 67 ASN HD21 . 51020 1 606 . 1 . 1 67 67 ASN HD22 H 1 7.001 0.020 . 1 . . . . . 67 ASN HD22 . 51020 1 607 . 1 . 1 67 67 ASN C C 13 175.903 0.3 . 1 . . . . . 67 ASN C . 51020 1 608 . 1 . 1 67 67 ASN CA C 13 54.733 0.3 . 1 . . . . . 67 ASN CA . 51020 1 609 . 1 . 1 67 67 ASN CB C 13 37.941 0.3 . 1 . . . . . 67 ASN CB . 51020 1 610 . 1 . 1 67 67 ASN N N 15 115.016 0.3 . 1 . . . . . 67 ASN N . 51020 1 611 . 1 . 1 67 67 ASN ND2 N 15 115.251 0.3 . 1 . . . . . 67 ASN ND2 . 51020 1 612 . 1 . 1 68 68 ASP H H 1 8.336 0.020 . 1 . . . . . 68 ASP H . 51020 1 613 . 1 . 1 68 68 ASP HA H 1 4.368 0.020 . 1 . . . . . 68 ASP HA . 51020 1 614 . 1 . 1 68 68 ASP HB2 H 1 2.505 0.020 . 1 . . . . . 68 ASP HB2 . 51020 1 615 . 1 . 1 68 68 ASP HB3 H 1 2.505 0.020 . 1 . . . . . 68 ASP HB3 . 51020 1 616 . 1 . 1 68 68 ASP C C 13 174.766 0.3 . 1 . . . . . 68 ASP C . 51020 1 617 . 1 . 1 68 68 ASP CA C 13 54.822 0.3 . 1 . . . . . 68 ASP CA . 51020 1 618 . 1 . 1 68 68 ASP CB C 13 39.897 0.3 . 1 . . . . . 68 ASP CB . 51020 1 619 . 1 . 1 68 68 ASP N N 15 118.825 0.3 . 1 . . . . . 68 ASP N . 51020 1 620 . 1 . 1 69 69 PHE H H 1 7.017 0.020 . 1 . . . . . 69 PHE H . 51020 1 621 . 1 . 1 69 69 PHE HA H 1 4.284 0.020 . 1 . . . . . 69 PHE HA . 51020 1 622 . 1 . 1 69 69 PHE HB2 H 1 3.554 0.020 . 2 . . . . . 69 PHE HB2 . 51020 1 623 . 1 . 1 69 69 PHE HB3 H 1 3.150 0.020 . 2 . . . . . 69 PHE HB3 . 51020 1 624 . 1 . 1 69 69 PHE HD1 H 1 6.784 0.020 . 3 . . . . . 69 PHE HD1 . 51020 1 625 . 1 . 1 69 69 PHE HD2 H 1 6.859 0.020 . 3 . . . . . 69 PHE HD2 . 51020 1 626 . 1 . 1 69 69 PHE HZ H 1 6.342 0.020 . 1 . . . . . 69 PHE HZ . 51020 1 627 . 1 . 1 69 69 PHE CA C 13 57.336 0.3 . 1 . . . . . 69 PHE CA . 51020 1 628 . 1 . 1 69 69 PHE CB C 13 36.173 0.3 . 1 . . . . . 69 PHE CB . 51020 1 629 . 1 . 1 69 69 PHE CD1 C 13 131.632 0.3 . 1 . . . . . 69 PHE CD1 . 51020 1 630 . 1 . 1 69 69 PHE CE1 C 13 129.972 0.3 . 1 . . . . . 69 PHE CE1 . 51020 1 631 . 1 . 1 69 69 PHE CZ C 13 128.667 0.3 . 1 . . . . . 69 PHE CZ . 51020 1 632 . 1 . 1 69 69 PHE N N 15 119.244 0.3 . 1 . . . . . 69 PHE N . 51020 1 633 . 1 . 1 70 70 ASP C C 13 175.735 0.3 . 1 . . . . . 70 ASP C . 51020 1 634 . 1 . 1 71 71 PHE H H 1 9.052 0.020 . 1 . . . . . 71 PHE H . 51020 1 635 . 1 . 1 71 71 PHE HA H 1 4.222 0.020 . 1 . . . . . 71 PHE HA . 51020 1 636 . 1 . 1 71 71 PHE HB2 H 1 3.492 0.020 . 1 . . . . . 71 PHE HB2 . 51020 1 637 . 1 . 1 71 71 PHE HB3 H 1 3.492 0.020 . 1 . . . . . 71 PHE HB3 . 51020 1 638 . 1 . 1 71 71 PHE HD1 H 1 7.188 0.020 . 3 . . . . . 71 PHE HD1 . 51020 1 639 . 1 . 1 71 71 PHE HD2 H 1 7.139 0.020 . 3 . . . . . 71 PHE HD2 . 51020 1 640 . 1 . 1 71 71 PHE C C 13 175.511 0.3 . 1 . . . . . 71 PHE C . 51020 1 641 . 1 . 1 71 71 PHE CA C 13 58.648 0.3 . 1 . . . . . 71 PHE CA . 51020 1 642 . 1 . 1 71 71 PHE CB C 13 39.508 0.3 . 1 . . . . . 71 PHE CB . 51020 1 643 . 1 . 1 71 71 PHE CD1 C 13 132.236 0.3 . 1 . . . . . 71 PHE CD1 . 51020 1 644 . 1 . 1 71 71 PHE CE1 C 13 129.916 0.3 . 1 . . . . . 71 PHE CE1 . 51020 1 645 . 1 . 1 71 71 PHE CZ C 13 127.781 0.3 . 1 . . . . . 71 PHE CZ . 51020 1 646 . 1 . 1 71 71 PHE N N 15 124.682 0.3 . 1 . . . . . 71 PHE N . 51020 1 647 . 1 . 1 74 74 THR H H 1 8.103 0.020 . 1 . . . . . 74 THR H . 51020 1 648 . 1 . 1 74 74 THR HA H 1 4.134 0.020 . 1 . . . . . 74 THR HA . 51020 1 649 . 1 . 1 74 74 THR HB H 1 4.211 0.020 . 1 . . . . . 74 THR HB . 51020 1 650 . 1 . 1 74 74 THR HG21 H 1 1.083 0.020 . 1 . . . . . 74 THR HG2 . 51020 1 651 . 1 . 1 74 74 THR HG22 H 1 1.083 0.020 . 1 . . . . . 74 THR HG2 . 51020 1 652 . 1 . 1 74 74 THR HG23 H 1 1.083 0.020 . 1 . . . . . 74 THR HG2 . 51020 1 653 . 1 . 1 74 74 THR C C 13 175.176 0.3 . 1 . . . . . 74 THR C . 51020 1 654 . 1 . 1 74 74 THR CA C 13 62.013 0.3 . 1 . . . . . 74 THR CA . 51020 1 655 . 1 . 1 74 74 THR CB C 13 69.445 0.3 . 1 . . . . . 74 THR CB . 51020 1 656 . 1 . 1 74 74 THR CG2 C 13 21.575 0.3 . 1 . . . . . 74 THR CG2 . 51020 1 657 . 1 . 1 74 74 THR N N 15 115.607 0.3 . 1 . . . . . 74 THR N . 51020 1 658 . 1 . 1 75 75 GLY H H 1 7.532 0.020 . 1 . . . . . 75 GLY H . 51020 1 659 . 1 . 1 75 75 GLY HA2 H 1 3.965 0.020 . 1 . . . . . 75 GLY HA2 . 51020 1 660 . 1 . 1 75 75 GLY HA3 H 1 3.965 0.020 . 1 . . . . . 75 GLY HA3 . 51020 1 661 . 1 . 1 75 75 GLY CA C 13 44.954 0.3 . 1 . . . . . 75 GLY CA . 51020 1 662 . 1 . 1 75 75 GLY N N 15 111.336 0.3 . 1 . . . . . 75 GLY N . 51020 1 663 . 1 . 1 76 76 ARG C C 13 176.705 0.3 . 1 . . . . . 76 ARG C . 51020 1 664 . 1 . 1 77 77 GLY H H 1 8.459 0.020 . 1 . . . . . 77 GLY H . 51020 1 665 . 1 . 1 77 77 GLY HA2 H 1 3.845 0.020 . 1 . . . . . 77 GLY HA2 . 51020 1 666 . 1 . 1 77 77 GLY HA3 H 1 3.845 0.020 . 1 . . . . . 77 GLY HA3 . 51020 1 667 . 1 . 1 77 77 GLY C C 13 173.423 0.3 . 1 . . . . . 77 GLY C . 51020 1 668 . 1 . 1 77 77 GLY CA C 13 44.450 0.3 . 1 . . . . . 77 GLY CA . 51020 1 669 . 1 . 1 77 77 GLY N N 15 109.551 0.3 . 1 . . . . . 77 GLY N . 51020 1 670 . 1 . 1 78 78 SER H H 1 8.223 0.020 . 1 . . . . . 78 SER H . 51020 1 671 . 1 . 1 78 78 SER HA H 1 4.497 0.020 . 1 . . . . . 78 SER HA . 51020 1 672 . 1 . 1 78 78 SER HB2 H 1 3.732 0.020 . 1 . . . . . 78 SER HB2 . 51020 1 673 . 1 . 1 78 78 SER HB3 H 1 3.732 0.020 . 1 . . . . . 78 SER HB3 . 51020 1 674 . 1 . 1 78 78 SER C C 13 174.803 0.3 . 1 . . . . . 78 SER C . 51020 1 675 . 1 . 1 78 78 SER CA C 13 56.385 0.3 . 1 . . . . . 78 SER CA . 51020 1 676 . 1 . 1 78 78 SER CB C 13 62.854 0.3 . 1 . . . . . 78 SER CB . 51020 1 677 . 1 . 1 78 78 SER N N 15 117.057 0.3 . 1 . . . . . 78 SER N . 51020 1 678 . 1 . 1 79 79 PRO C C 13 177.357 0.3 . 1 . . . . . 79 PRO C . 51020 1 679 . 1 . 1 79 79 PRO CA C 13 64.013 0.3 . 1 . . . . . 79 PRO CA . 51020 1 680 . 1 . 1 80 80 SER H H 1 8.318 0.020 . 1 . . . . . 80 SER H . 51020 1 681 . 1 . 1 80 80 SER HA H 1 4.202 0.020 . 1 . . . . . 80 SER HA . 51020 1 682 . 1 . 1 80 80 SER HB2 H 1 3.710 0.020 . 1 . . . . . 80 SER HB2 . 51020 1 683 . 1 . 1 80 80 SER HB3 H 1 3.710 0.020 . 1 . . . . . 80 SER HB3 . 51020 1 684 . 1 . 1 80 80 SER C C 13 174.840 0.3 . 1 . . . . . 80 SER C . 51020 1 685 . 1 . 1 80 80 SER CA C 13 58.697 0.3 . 1 . . . . . 80 SER CA . 51020 1 686 . 1 . 1 80 80 SER CB C 13 62.961 0.3 . 1 . . . . . 80 SER CB . 51020 1 687 . 1 . 1 80 80 SER N N 15 114.084 0.3 . 1 . . . . . 80 SER N . 51020 1 688 . 1 . 1 81 81 ARG H H 1 8.134 0.020 . 1 . . . . . 81 ARG H . 51020 1 689 . 1 . 1 81 81 ARG HA H 1 4.199 0.020 . 1 . . . . . 81 ARG HA . 51020 1 690 . 1 . 1 81 81 ARG HB2 H 1 1.618 0.020 . 1 . . . . . 81 ARG HB2 . 51020 1 691 . 1 . 1 81 81 ARG HB3 H 1 1.618 0.020 . 1 . . . . . 81 ARG HB3 . 51020 1 692 . 1 . 1 81 81 ARG HG2 H 1 1.348 0.020 . 1 . . . . . 81 ARG HG2 . 51020 1 693 . 1 . 1 81 81 ARG HG3 H 1 1.348 0.020 . 1 . . . . . 81 ARG HG3 . 51020 1 694 . 1 . 1 81 81 ARG HD2 H 1 2.896 0.020 . 1 . . . . . 81 ARG HD2 . 51020 1 695 . 1 . 1 81 81 ARG HD3 H 1 2.896 0.020 . 1 . . . . . 81 ARG HD3 . 51020 1 696 . 1 . 1 81 81 ARG CA C 13 56.180 0.3 . 1 . . . . . 81 ARG CA . 51020 1 697 . 1 . 1 81 81 ARG CB C 13 30.147 0.3 . 1 . . . . . 81 ARG CB . 51020 1 698 . 1 . 1 81 81 ARG CG C 13 24.564 0.3 . 1 . . . . . 81 ARG CG . 51020 1 699 . 1 . 1 81 81 ARG N N 15 122.632 0.3 . 1 . . . . . 81 ARG N . 51020 1 700 . 1 . 1 83 83 GLU C C 13 175.306 0.3 . 1 . . . . . 83 GLU C . 51020 1 701 . 1 . 1 87 87 PRO C C 13 176.649 0.3 . 1 . . . . . 87 PRO C . 51020 1 702 . 1 . 1 88 88 LYS H H 1 8.336 0.020 . 1 . . . . . 88 LYS H . 51020 1 703 . 1 . 1 88 88 LYS HA H 1 4.164 0.020 . 1 . . . . . 88 LYS HA . 51020 1 704 . 1 . 1 88 88 LYS HB2 H 1 1.668 0.020 . 1 . . . . . 88 LYS HB2 . 51020 1 705 . 1 . 1 88 88 LYS HB3 H 1 1.668 0.020 . 1 . . . . . 88 LYS HB3 . 51020 1 706 . 1 . 1 88 88 LYS HG2 H 1 1.358 0.020 . 1 . . . . . 88 LYS HG2 . 51020 1 707 . 1 . 1 88 88 LYS HG3 H 1 1.358 0.020 . 1 . . . . . 88 LYS HG3 . 51020 1 708 . 1 . 1 88 88 LYS HE2 H 1 2.890 0.020 . 1 . . . . . 88 LYS HE2 . 51020 1 709 . 1 . 1 88 88 LYS HE3 H 1 2.890 0.020 . 1 . . . . . 88 LYS HE3 . 51020 1 710 . 1 . 1 88 88 LYS C C 13 174.393 0.3 . 1 . . . . . 88 LYS C . 51020 1 711 . 1 . 1 88 88 LYS CA C 13 56.061 0.3 . 1 . . . . . 88 LYS CA . 51020 1 712 . 1 . 1 88 88 LYS CB C 13 32.385 0.3 . 1 . . . . . 88 LYS CB . 51020 1 713 . 1 . 1 88 88 LYS N N 15 121.571 0.3 . 1 . . . . . 88 LYS N . 51020 1 714 . 1 . 1 89 89 LYS H H 1 8.204 0.020 . 1 . . . . . 89 LYS H . 51020 1 715 . 1 . 1 89 89 LYS HA H 1 4.282 0.020 . 1 . . . . . 89 LYS HA . 51020 1 716 . 1 . 1 89 89 LYS HB2 H 1 1.637 0.020 . 1 . . . . . 89 LYS HB2 . 51020 1 717 . 1 . 1 89 89 LYS HB3 H 1 1.637 0.020 . 1 . . . . . 89 LYS HB3 . 51020 1 718 . 1 . 1 89 89 LYS HG2 H 1 1.348 0.020 . 1 . . . . . 89 LYS HG2 . 51020 1 719 . 1 . 1 89 89 LYS HG3 H 1 1.348 0.020 . 1 . . . . . 89 LYS HG3 . 51020 1 720 . 1 . 1 89 89 LYS HE2 H 1 2.899 0.020 . 1 . . . . . 89 LYS HE2 . 51020 1 721 . 1 . 1 89 89 LYS HE3 H 1 2.899 0.020 . 1 . . . . . 89 LYS HE3 . 51020 1 722 . 1 . 1 89 89 LYS CA C 13 53.084 0.3 . 1 . . . . . 89 LYS CA . 51020 1 723 . 1 . 1 89 89 LYS CB C 13 34.089 0.3 . 1 . . . . . 89 LYS CB . 51020 1 724 . 1 . 1 89 89 LYS N N 15 122.917 0.3 . 1 . . . . . 89 LYS N . 51020 1 725 . 1 . 1 90 90 PRO C C 13 176.574 0.3 . 1 . . . . . 90 PRO C . 51020 1 726 . 1 . 1 90 90 PRO CA C 13 62.537 0.3 . 1 . . . . . 90 PRO CA . 51020 1 727 . 1 . 1 90 90 PRO CB C 13 31.852 0.3 . 1 . . . . . 90 PRO CB . 51020 1 728 . 1 . 1 91 91 LYS H H 1 8.500 0.020 . 1 . . . . . 91 LYS H . 51020 1 729 . 1 . 1 91 91 LYS HA H 1 4.143 0.020 . 1 . . . . . 91 LYS HA . 51020 1 730 . 1 . 1 91 91 LYS HB2 H 1 1.576 0.020 . 1 . . . . . 91 LYS HB2 . 51020 1 731 . 1 . 1 91 91 LYS HB3 H 1 1.576 0.020 . 1 . . . . . 91 LYS HB3 . 51020 1 732 . 1 . 1 91 91 LYS HG2 H 1 1.358 0.020 . 1 . . . . . 91 LYS HG2 . 51020 1 733 . 1 . 1 91 91 LYS HG3 H 1 1.358 0.020 . 1 . . . . . 91 LYS HG3 . 51020 1 734 . 1 . 1 91 91 LYS HE2 H 1 2.890 0.020 . 1 . . . . . 91 LYS HE2 . 51020 1 735 . 1 . 1 91 91 LYS HE3 H 1 2.890 0.020 . 1 . . . . . 91 LYS HE3 . 51020 1 736 . 1 . 1 91 91 LYS C C 13 176.425 0.3 . 1 . . . . . 91 LYS C . 51020 1 737 . 1 . 1 91 91 LYS CA C 13 56.106 0.3 . 1 . . . . . 91 LYS CA . 51020 1 738 . 1 . 1 91 91 LYS CB C 13 32.491 0.3 . 1 . . . . . 91 LYS CB . 51020 1 739 . 1 . 1 91 91 LYS CG C 13 24.564 0.3 . 1 . . . . . 91 LYS CG . 51020 1 740 . 1 . 1 91 91 LYS CD C 13 28.940 0.3 . 1 . . . . . 91 LYS CD . 51020 1 741 . 1 . 1 91 91 LYS CE C 13 41.750 0.3 . 1 . . . . . 91 LYS CE . 51020 1 742 . 1 . 1 91 91 LYS N N 15 122.110 0.3 . 1 . . . . . 91 LYS N . 51020 1 743 . 1 . 1 92 92 SER H H 1 8.431 0.020 . 1 . . . . . 92 SER H . 51020 1 744 . 1 . 1 92 92 SER HA H 1 4.637 0.020 . 1 . . . . . 92 SER HA . 51020 1 745 . 1 . 1 92 92 SER HB2 H 1 3.729 0.020 . 1 . . . . . 92 SER HB2 . 51020 1 746 . 1 . 1 92 92 SER HB3 H 1 3.729 0.020 . 1 . . . . . 92 SER HB3 . 51020 1 747 . 1 . 1 92 92 SER CA C 13 56.101 0.3 . 1 . . . . . 92 SER CA . 51020 1 748 . 1 . 1 92 92 SER CB C 13 62.788 0.3 . 1 . . . . . 92 SER CB . 51020 1 749 . 1 . 1 92 92 SER N N 15 118.743 0.3 . 1 . . . . . 92 SER N . 51020 1 750 . 1 . 1 93 93 PRO C C 13 175.884 0.3 . 1 . . . . . 93 PRO C . 51020 1 751 . 1 . 1 93 93 PRO CA C 13 62.378 0.3 . 1 . . . . . 93 PRO CA . 51020 1 752 . 1 . 1 93 93 PRO CB C 13 34.089 0.3 . 1 . . . . . 93 PRO CB . 51020 1 753 . 1 . 1 94 94 LYS H H 1 8.574 0.020 . 1 . . . . . 94 LYS H . 51020 1 754 . 1 . 1 94 94 LYS HA H 1 4.124 0.020 . 1 . . . . . 94 LYS HA . 51020 1 755 . 1 . 1 94 94 LYS HB2 H 1 1.663 0.020 . 1 . . . . . 94 LYS HB2 . 51020 1 756 . 1 . 1 94 94 LYS HB3 H 1 1.663 0.020 . 1 . . . . . 94 LYS HB3 . 51020 1 757 . 1 . 1 94 94 LYS HG2 H 1 1.348 0.020 . 1 . . . . . 94 LYS HG2 . 51020 1 758 . 1 . 1 94 94 LYS HG3 H 1 1.348 0.020 . 1 . . . . . 94 LYS HG3 . 51020 1 759 . 1 . 1 94 94 LYS HE2 H 1 2.890 0.020 . 1 . . . . . 94 LYS HE2 . 51020 1 760 . 1 . 1 94 94 LYS HE3 H 1 2.890 0.020 . 1 . . . . . 94 LYS HE3 . 51020 1 761 . 1 . 1 94 94 LYS C C 13 176.313 0.3 . 1 . . . . . 94 LYS C . 51020 1 762 . 1 . 1 94 94 LYS CA C 13 56.483 0.3 . 1 . . . . . 94 LYS CA . 51020 1 763 . 1 . 1 94 94 LYS CB C 13 32.598 0.3 . 1 . . . . . 94 LYS CB . 51020 1 764 . 1 . 1 94 94 LYS CG C 13 24.564 0.3 . 1 . . . . . 94 LYS CG . 51020 1 765 . 1 . 1 94 94 LYS N N 15 121.734 0.3 . 1 . . . . . 94 LYS N . 51020 1 766 . 1 . 1 95 95 ALA H H 1 8.477 0.020 . 1 . . . . . 95 ALA H . 51020 1 767 . 1 . 1 95 95 ALA HA H 1 4.263 0.020 . 1 . . . . . 95 ALA HA . 51020 1 768 . 1 . 1 95 95 ALA HB1 H 1 1.299 0.020 . 1 . . . . . 95 ALA HB . 51020 1 769 . 1 . 1 95 95 ALA HB2 H 1 1.299 0.020 . 1 . . . . . 95 ALA HB . 51020 1 770 . 1 . 1 95 95 ALA HB3 H 1 1.299 0.020 . 1 . . . . . 95 ALA HB . 51020 1 771 . 1 . 1 95 95 ALA C C 13 177.730 0.3 . 1 . . . . . 95 ALA C . 51020 1 772 . 1 . 1 95 95 ALA CA C 13 52.146 0.3 . 1 . . . . . 95 ALA CA . 51020 1 773 . 1 . 1 95 95 ALA CB C 13 18.999 0.3 . 1 . . . . . 95 ALA CB . 51020 1 774 . 1 . 1 95 95 ALA N N 15 125.825 0.3 . 1 . . . . . 95 ALA N . 51020 1 775 . 1 . 1 96 96 THR H H 1 8.190 0.020 . 1 . . . . . 96 THR H . 51020 1 776 . 1 . 1 96 96 THR HA H 1 4.087 0.020 . 1 . . . . . 96 THR HA . 51020 1 777 . 1 . 1 96 96 THR HB H 1 4.087 0.020 . 1 . . . . . 96 THR HB . 51020 1 778 . 1 . 1 96 96 THR HG21 H 1 1.049 0.020 . 1 . . . . . 96 THR HG2 . 51020 1 779 . 1 . 1 96 96 THR HG22 H 1 1.049 0.020 . 1 . . . . . 96 THR HG2 . 51020 1 780 . 1 . 1 96 96 THR HG23 H 1 1.049 0.020 . 1 . . . . . 96 THR HG2 . 51020 1 781 . 1 . 1 96 96 THR C C 13 174.225 0.3 . 1 . . . . . 96 THR C . 51020 1 782 . 1 . 1 96 96 THR CA C 13 61.414 0.3 . 1 . . . . . 96 THR CA . 51020 1 783 . 1 . 1 96 96 THR CB C 13 69.210 0.3 . 1 . . . . . 96 THR CB . 51020 1 784 . 1 . 1 96 96 THR CG2 C 13 21.254 0.3 . 1 . . . . . 96 THR CG2 . 51020 1 785 . 1 . 1 96 96 THR N N 15 113.789 0.3 . 1 . . . . . 96 THR N . 51020 1 786 . 1 . 1 97 97 SER H H 1 8.274 0.020 . 1 . . . . . 97 SER H . 51020 1 787 . 1 . 1 97 97 SER HA H 1 4.229 0.020 . 1 . . . . . 97 SER HA . 51020 1 788 . 1 . 1 97 97 SER HB2 H 1 3.672 0.020 . 1 . . . . . 97 SER HB2 . 51020 1 789 . 1 . 1 97 97 SER HB3 H 1 3.672 0.020 . 1 . . . . . 97 SER HB3 . 51020 1 790 . 1 . 1 97 97 SER C C 13 173.964 0.3 . 1 . . . . . 97 SER C . 51020 1 791 . 1 . 1 97 97 SER CA C 13 57.818 0.3 . 1 . . . . . 97 SER CA . 51020 1 792 . 1 . 1 97 97 SER CB C 13 63.386 0.3 . 1 . . . . . 97 SER CB . 51020 1 793 . 1 . 1 97 97 SER N N 15 117.953 0.3 . 1 . . . . . 97 SER N . 51020 1 794 . 1 . 1 98 98 HIS H H 1 8.526 0.020 . 1 . . . . . 98 HIS H . 51020 1 795 . 1 . 1 98 98 HIS HA H 1 4.518 0.020 . 1 . . . . . 98 HIS HA . 51020 1 796 . 1 . 1 98 98 HIS HB2 H 1 3.039 0.020 . 2 . . . . . 98 HIS HB2 . 51020 1 797 . 1 . 1 98 98 HIS HB3 H 1 3.049 0.020 . 2 . . . . . 98 HIS HB3 . 51020 1 798 . 1 . 1 98 98 HIS CA C 13 55.304 0.3 . 1 . . . . . 98 HIS CA . 51020 1 799 . 1 . 1 98 98 HIS CB C 13 29.087 0.3 . 1 . . . . . 98 HIS CB . 51020 1 800 . 1 . 1 98 98 HIS N N 15 120.710 0.3 . 1 . . . . . 98 HIS N . 51020 1 stop_ save_