data_25853 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25853 _Entry.Title ; Chemical Shift Assignments and Structure Determination for spider toxin, U33-theraphotoxin-Cg1c ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-20 _Entry.Accession_date 2015-10-20 _Entry.Last_release_date 2016-08-25 _Entry.Original_release_date 2016-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Yanni Chin . K.-Y. . . 25853 2 Sandy Pineda . S. . . 25853 3 Mehdi Mobli . . . . 25853 4 Glenn King . F. . . 25853 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25853 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Disulfide-directed -hairpin' . 25853 Toxin . 25853 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25853 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 290 25853 '15N chemical shifts' 79 25853 '1H chemical shifts' 476 25853 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 . . 2016-08-25 . original BMRB . 25853 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N8K 'BMRB Entry Tracking System' 25853 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25853 _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 ; Single-gene recruitment underlies venom complexity in the Australian Funnel-web spider Hadronyche infensa ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nature Commun.' _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 Sandy Pineda . S. . . 25853 1 2 Yanni Chin . K.-Y. . . 25853 1 3 Sebastian Senff . . . . 25853 1 4 Mehdi Mobli . . . . 25853 1 5 Pierre Escoubas . . . . 25853 1 6 Graham Nicholson . . . . 25853 1 7 Quentin Kass . . . . 25853 1 8 Bryan Fry . G. . . 25853 1 9 John Mattick . S. . . 25853 1 10 Glenn King . F. . . 25853 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25853 _Assembly.ID 1 _Assembly.Name 'spider toxin, U33-theraphotoxin-Cg1c' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25853 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 15 15 SG . . . . . . . . . . 25853 1 2 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 29 29 SG . . . . . . . . . . 25853 1 3 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . 25853 1 4 disulfide single . 1 . 1 CYS 39 39 SG . 1 . 1 CYS 61 61 SG . . . . . . . . . . 25853 1 5 disulfide single . 1 . 1 CYS 55 55 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . 25853 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25853 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SVTCGGKQCKPNSCCVQNSH GKGKDSPRCHPLGKLNNPCE VEPNENGIYSQHCPCGEGLS CTKVGEPNKLRCQEES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8143.186 _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 . 25853 1 2 . VAL . 25853 1 3 . THR . 25853 1 4 . CYS . 25853 1 5 . GLY . 25853 1 6 . GLY . 25853 1 7 . LYS . 25853 1 8 . GLN . 25853 1 9 . CYS . 25853 1 10 . LYS . 25853 1 11 . PRO . 25853 1 12 . ASN . 25853 1 13 . SER . 25853 1 14 . CYS . 25853 1 15 . CYS . 25853 1 16 . VAL . 25853 1 17 . GLN . 25853 1 18 . ASN . 25853 1 19 . SER . 25853 1 20 . HIS . 25853 1 21 . GLY . 25853 1 22 . LYS . 25853 1 23 . GLY . 25853 1 24 . LYS . 25853 1 25 . ASP . 25853 1 26 . SER . 25853 1 27 . PRO . 25853 1 28 . ARG . 25853 1 29 . CYS . 25853 1 30 . HIS . 25853 1 31 . PRO . 25853 1 32 . LEU . 25853 1 33 . GLY . 25853 1 34 . LYS . 25853 1 35 . LEU . 25853 1 36 . ASN . 25853 1 37 . ASN . 25853 1 38 . PRO . 25853 1 39 . CYS . 25853 1 40 . GLU . 25853 1 41 . VAL . 25853 1 42 . GLU . 25853 1 43 . PRO . 25853 1 44 . ASN . 25853 1 45 . GLU . 25853 1 46 . ASN . 25853 1 47 . GLY . 25853 1 48 . ILE . 25853 1 49 . TYR . 25853 1 50 . SER . 25853 1 51 . GLN . 25853 1 52 . HIS . 25853 1 53 . CYS . 25853 1 54 . PRO . 25853 1 55 . CYS . 25853 1 56 . GLY . 25853 1 57 . GLU . 25853 1 58 . GLY . 25853 1 59 . LEU . 25853 1 60 . SER . 25853 1 61 . CYS . 25853 1 62 . THR . 25853 1 63 . LYS . 25853 1 64 . VAL . 25853 1 65 . GLY . 25853 1 66 . GLU . 25853 1 67 . PRO . 25853 1 68 . ASN . 25853 1 69 . LYS . 25853 1 70 . LEU . 25853 1 71 . ARG . 25853 1 72 . CYS . 25853 1 73 . GLN . 25853 1 74 . GLU . 25853 1 75 . GLU . 25853 1 76 . SER . 25853 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 25853 1 . VAL 2 2 25853 1 . THR 3 3 25853 1 . CYS 4 4 25853 1 . GLY 5 5 25853 1 . GLY 6 6 25853 1 . LYS 7 7 25853 1 . GLN 8 8 25853 1 . CYS 9 9 25853 1 . LYS 10 10 25853 1 . PRO 11 11 25853 1 . ASN 12 12 25853 1 . SER 13 13 25853 1 . CYS 14 14 25853 1 . CYS 15 15 25853 1 . VAL 16 16 25853 1 . GLN 17 17 25853 1 . ASN 18 18 25853 1 . SER 19 19 25853 1 . HIS 20 20 25853 1 . GLY 21 21 25853 1 . LYS 22 22 25853 1 . GLY 23 23 25853 1 . LYS 24 24 25853 1 . ASP 25 25 25853 1 . SER 26 26 25853 1 . PRO 27 27 25853 1 . ARG 28 28 25853 1 . CYS 29 29 25853 1 . HIS 30 30 25853 1 . PRO 31 31 25853 1 . LEU 32 32 25853 1 . GLY 33 33 25853 1 . LYS 34 34 25853 1 . LEU 35 35 25853 1 . ASN 36 36 25853 1 . ASN 37 37 25853 1 . PRO 38 38 25853 1 . CYS 39 39 25853 1 . GLU 40 40 25853 1 . VAL 41 41 25853 1 . GLU 42 42 25853 1 . PRO 43 43 25853 1 . ASN 44 44 25853 1 . GLU 45 45 25853 1 . ASN 46 46 25853 1 . GLY 47 47 25853 1 . ILE 48 48 25853 1 . TYR 49 49 25853 1 . SER 50 50 25853 1 . GLN 51 51 25853 1 . HIS 52 52 25853 1 . CYS 53 53 25853 1 . PRO 54 54 25853 1 . CYS 55 55 25853 1 . GLY 56 56 25853 1 . GLU 57 57 25853 1 . GLY 58 58 25853 1 . LEU 59 59 25853 1 . SER 60 60 25853 1 . CYS 61 61 25853 1 . THR 62 62 25853 1 . LYS 63 63 25853 1 . VAL 64 64 25853 1 . GLY 65 65 25853 1 . GLU 66 66 25853 1 . PRO 67 67 25853 1 . ASN 68 68 25853 1 . LYS 69 69 25853 1 . LEU 70 70 25853 1 . ARG 71 71 25853 1 . CYS 72 72 25853 1 . GLN 73 73 25853 1 . GLU 74 74 25853 1 . GLU 75 75 25853 1 . SER 76 76 25853 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 25853 _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 . 278060 organism . 'Chilobrachys guangxiensis' 'Chilobrachys guangxiensis' . . Eukaryota Metazoa Chilobrachys guangxiensis . . . . . . . . . . . . . 25853 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 25853 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . 'pLICC vector' . . . 25853 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Cg1c _Sample.Sf_category sample _Sample.Sf_framecode Cg1c _Sample.Entry_ID 25853 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Cg1c '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 300 . . uM . . . . 25853 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25853 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 25853 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25853 1 5 'sodium azide' 'natural abundance' . . . . . . 5 . . % . . . . 25853 1 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 25853 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 25853 _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 pH 6 . pH 25853 1 pressure 1 . atm 25853 1 temperature 298 . K 25853 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25853 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25853 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25853 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25853 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25853 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral angle prediction' 25853 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25853 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25853 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25853 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25853 _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 . . 25853 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25853 4 stop_ save_ save_Rowland_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_Toolkit _Software.Entry_ID 25853 _Software.ID 5 _Software.Name Rowland_NMR_Toolkit _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hoch JC' . . 25853 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing NUS data' 25853 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25853 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25853 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance II+' . 900 . . . 25853 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 25853 _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 $Cg1c isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25853 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Cg1c isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25853 1 3 '3D HNCACB' no . . . . . . . . . . 1 $Cg1c isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25853 1 4 '3D HNCO' no . . . . . . . . . . 1 $Cg1c isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25853 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Cg1c isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25853 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $Cg1c isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25853 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $Cg1c isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25853 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $Cg1c isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25853 1 9 '4D HCC(CO)NH-TOCSY' no . . . . . . . . . . 1 $Cg1c isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25853 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25853 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25853 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25853 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25853 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25853 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25853 1 2 '3D CBCA(CO)NH' . . . 25853 1 3 '3D HNCACB' . . . 25853 1 4 '3D HNCO' . . . 25853 1 5 '3D 1H-15N NOESY' . . . 25853 1 6 '3D 1H-13C NOESY aliphatic' . . . 25853 1 7 '3D 1H-13C NOESY aromatic' . . . 25853 1 8 '3D HBHA(CO)NH' . . . 25853 1 9 '4D HCC(CO)NH-TOCSY' . . . 25853 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.179 0.02 . 1 . . . A 1 SER HA . 25853 1 2 . 1 1 1 1 SER HB2 H 1 3.958 0.02 . 2 . . . A 1 SER HB2 . 25853 1 3 . 1 1 1 1 SER HB3 H 1 3.870 0.02 . 2 . . . A 1 SER HB3 . 25853 1 4 . 1 1 1 1 SER C C 13 171.024 0.3 . 1 . . . A 1 SER C . 25853 1 5 . 1 1 1 1 SER CA C 13 57.550 0.3 . 1 . . . A 1 SER CA . 25853 1 6 . 1 1 1 1 SER CB C 13 63.549 0.3 . 1 . . . A 1 SER CB . 25853 1 7 . 1 1 2 2 VAL H H 1 8.624 0.02 . 1 . . . A 2 VAL H . 25853 1 8 . 1 1 2 2 VAL HA H 1 4.295 0.02 . 1 . . . A 2 VAL HA . 25853 1 9 . 1 1 2 2 VAL HB H 1 1.940 0.02 . 1 . . . A 2 VAL HB . 25853 1 10 . 1 1 2 2 VAL HG11 H 1 0.973 0.02 . 2 . . . A 2 VAL HG11 . 25853 1 11 . 1 1 2 2 VAL HG12 H 1 0.973 0.02 . 2 . . . A 2 VAL HG12 . 25853 1 12 . 1 1 2 2 VAL HG13 H 1 0.973 0.02 . 2 . . . A 2 VAL HG13 . 25853 1 13 . 1 1 2 2 VAL HG21 H 1 0.900 0.02 . 2 . . . A 2 VAL HG21 . 25853 1 14 . 1 1 2 2 VAL HG22 H 1 0.900 0.02 . 2 . . . A 2 VAL HG22 . 25853 1 15 . 1 1 2 2 VAL HG23 H 1 0.900 0.02 . 2 . . . A 2 VAL HG23 . 25853 1 16 . 1 1 2 2 VAL C C 13 174.704 0.3 . 1 . . . A 2 VAL C . 25853 1 17 . 1 1 2 2 VAL CA C 13 62.162 0.3 . 1 . . . A 2 VAL CA . 25853 1 18 . 1 1 2 2 VAL CB C 13 33.868 0.3 . 1 . . . A 2 VAL CB . 25853 1 19 . 1 1 2 2 VAL CG1 C 13 21.047 0.3 . 2 . . . A 2 VAL CG1 . 25853 1 20 . 1 1 2 2 VAL CG2 C 13 21.454 0.3 . 2 . . . A 2 VAL CG2 . 25853 1 21 . 1 1 2 2 VAL N N 15 121.677 0.2 . 1 . . . A 2 VAL N . 25853 1 22 . 1 1 3 3 THR H H 1 8.231 0.02 . 1 . . . A 3 THR H . 25853 1 23 . 1 1 3 3 THR HA H 1 4.795 0.02 . 1 . . . A 3 THR HA . 25853 1 24 . 1 1 3 3 THR HB H 1 3.833 0.02 . 1 . . . A 3 THR HB . 25853 1 25 . 1 1 3 3 THR HG21 H 1 0.978 0.02 . 1 . . . A 3 THR HG21 . 25853 1 26 . 1 1 3 3 THR HG22 H 1 0.978 0.02 . 1 . . . A 3 THR HG22 . 25853 1 27 . 1 1 3 3 THR HG23 H 1 0.978 0.02 . 1 . . . A 3 THR HG23 . 25853 1 28 . 1 1 3 3 THR CA C 13 61.046 0.3 . 1 . . . A 3 THR CA . 25853 1 29 . 1 1 3 3 THR CB C 13 70.494 0.3 . 1 . . . A 3 THR CB . 25853 1 30 . 1 1 3 3 THR CG2 C 13 21.098 0.3 . 1 . . . A 3 THR CG2 . 25853 1 31 . 1 1 3 3 THR N N 15 119.822 0.2 . 1 . . . A 3 THR N . 25853 1 32 . 1 1 4 4 CYS H H 1 8.892 0.02 . 1 . . . A 4 CYS H . 25853 1 33 . 1 1 4 4 CYS HA H 1 4.966 0.02 . 1 . . . A 4 CYS HA . 25853 1 34 . 1 1 4 4 CYS HB2 H 1 2.721 0.02 . 2 . . . A 4 CYS HB2 . 25853 1 35 . 1 1 4 4 CYS HB3 H 1 2.721 0.02 . 2 . . . A 4 CYS HB3 . 25853 1 36 . 1 1 4 4 CYS C C 13 175.697 0.3 . 1 . . . A 4 CYS C . 25853 1 37 . 1 1 4 4 CYS CA C 13 52.870 0.3 . 1 . . . A 4 CYS CA . 25853 1 38 . 1 1 4 4 CYS CB C 13 38.872 0.3 . 1 . . . A 4 CYS CB . 25853 1 39 . 1 1 4 4 CYS N N 15 122.836 0.2 . 1 . . . A 4 CYS N . 25853 1 40 . 1 1 5 5 GLY H H 1 9.717 0.02 . 1 . . . A 5 GLY H . 25853 1 41 . 1 1 5 5 GLY HA2 H 1 3.963 0.02 . 2 . . . A 5 GLY HA2 . 25853 1 42 . 1 1 5 5 GLY HA3 H 1 3.845 0.02 . 2 . . . A 5 GLY HA3 . 25853 1 43 . 1 1 5 5 GLY C C 13 175.371 0.3 . 1 . . . A 5 GLY C . 25853 1 44 . 1 1 5 5 GLY CA C 13 47.335 0.3 . 1 . . . A 5 GLY CA . 25853 1 45 . 1 1 5 5 GLY N N 15 118.846 0.2 . 1 . . . A 5 GLY N . 25853 1 46 . 1 1 6 6 GLY H H 1 8.486 0.02 . 1 . . . A 6 GLY H . 25853 1 47 . 1 1 6 6 GLY HA2 H 1 4.189 0.02 . 2 . . . A 6 GLY HA2 . 25853 1 48 . 1 1 6 6 GLY HA3 H 1 3.574 0.02 . 2 . . . A 6 GLY HA3 . 25853 1 49 . 1 1 6 6 GLY C C 13 173.435 0.3 . 1 . . . A 6 GLY C . 25853 1 50 . 1 1 6 6 GLY CA C 13 44.893 0.3 . 1 . . . A 6 GLY CA . 25853 1 51 . 1 1 6 6 GLY N N 15 105.079 0.2 . 1 . . . A 6 GLY N . 25853 1 52 . 1 1 7 7 LYS H H 1 7.443 0.02 . 1 . . . A 7 LYS H . 25853 1 53 . 1 1 7 7 LYS HA H 1 4.595 0.02 . 1 . . . A 7 LYS HA . 25853 1 54 . 1 1 7 7 LYS HB2 H 1 1.818 0.02 . 2 . . . A 7 LYS HB2 . 25853 1 55 . 1 1 7 7 LYS HB3 H 1 1.818 0.02 . 2 . . . A 7 LYS HB3 . 25853 1 56 . 1 1 7 7 LYS HG2 H 1 1.400 0.02 . 2 . . . A 7 LYS HG2 . 25853 1 57 . 1 1 7 7 LYS HG3 H 1 1.400 0.02 . 2 . . . A 7 LYS HG3 . 25853 1 58 . 1 1 7 7 LYS HD2 H 1 1.697 0.02 . 2 . . . A 7 LYS HD2 . 25853 1 59 . 1 1 7 7 LYS HD3 H 1 1.697 0.02 . 2 . . . A 7 LYS HD3 . 25853 1 60 . 1 1 7 7 LYS HE2 H 1 3.041 0.02 . 2 . . . A 7 LYS HE2 . 25853 1 61 . 1 1 7 7 LYS HE3 H 1 3.041 0.02 . 2 . . . A 7 LYS HE3 . 25853 1 62 . 1 1 7 7 LYS C C 13 174.892 0.3 . 1 . . . A 7 LYS C . 25853 1 63 . 1 1 7 7 LYS CA C 13 54.257 0.3 . 1 . . . A 7 LYS CA . 25853 1 64 . 1 1 7 7 LYS CB C 13 34.235 0.3 . 1 . . . A 7 LYS CB . 25853 1 65 . 1 1 7 7 LYS CG C 13 24.560 0.3 . 1 . . . A 7 LYS CG . 25853 1 66 . 1 1 7 7 LYS CD C 13 28.695 0.3 . 1 . . . A 7 LYS CD . 25853 1 67 . 1 1 7 7 LYS CE C 13 42.339 0.3 . 1 . . . A 7 LYS CE . 25853 1 68 . 1 1 7 7 LYS N N 15 119.945 0.2 . 1 . . . A 7 LYS N . 25853 1 69 . 1 1 8 8 GLN H H 1 8.640 0.02 . 1 . . . A 8 GLN H . 25853 1 70 . 1 1 8 8 GLN HA H 1 4.425 0.02 . 1 . . . A 8 GLN HA . 25853 1 71 . 1 1 8 8 GLN HB2 H 1 1.971 0.02 . 2 . . . A 8 GLN HB2 . 25853 1 72 . 1 1 8 8 GLN HB3 H 1 1.971 0.02 . 2 . . . A 8 GLN HB3 . 25853 1 73 . 1 1 8 8 GLN HG2 H 1 2.333 0.02 . 2 . . . A 8 GLN HG2 . 25853 1 74 . 1 1 8 8 GLN HG3 H 1 2.301 0.02 . 2 . . . A 8 GLN HG3 . 25853 1 75 . 1 1 8 8 GLN HE21 H 1 6.781 0.02 . 2 . . . A 8 GLN HE21 . 25853 1 76 . 1 1 8 8 GLN HE22 H 1 7.520 0.02 . 2 . . . A 8 GLN HE22 . 25853 1 77 . 1 1 8 8 GLN C C 13 176.520 0.3 . 1 . . . A 8 GLN C . 25853 1 78 . 1 1 8 8 GLN CA C 13 55.891 0.3 . 1 . . . A 8 GLN CA . 25853 1 79 . 1 1 8 8 GLN CB C 13 29.176 0.3 . 1 . . . A 8 GLN CB . 25853 1 80 . 1 1 8 8 GLN CG C 13 33.979 0.3 . 1 . . . A 8 GLN CG . 25853 1 81 . 1 1 8 8 GLN N N 15 122.168 0.2 . 1 . . . A 8 GLN N . 25853 1 82 . 1 1 8 8 GLN NE2 N 15 112.742 0.2 . 1 . . . A 8 GLN NE2 . 25853 1 83 . 1 1 9 9 CYS H H 1 8.758 0.02 . 1 . . . A 9 CYS H . 25853 1 84 . 1 1 9 9 CYS HA H 1 4.948 0.02 . 1 . . . A 9 CYS HA . 25853 1 85 . 1 1 9 9 CYS HB2 H 1 3.436 0.02 . 2 . . . A 9 CYS HB2 . 25853 1 86 . 1 1 9 9 CYS HB3 H 1 2.544 0.02 . 2 . . . A 9 CYS HB3 . 25853 1 87 . 1 1 9 9 CYS C C 13 176.331 0.3 . 1 . . . A 9 CYS C . 25853 1 88 . 1 1 9 9 CYS CA C 13 52.336 0.3 . 1 . . . A 9 CYS CA . 25853 1 89 . 1 1 9 9 CYS CB C 13 36.773 0.3 . 1 . . . A 9 CYS CB . 25853 1 90 . 1 1 9 9 CYS N N 15 124.437 0.2 . 1 . . . A 9 CYS N . 25853 1 91 . 1 1 10 10 LYS H H 1 8.878 0.02 . 1 . . . A 10 LYS H . 25853 1 92 . 1 1 10 10 LYS HA H 1 4.419 0.02 . 1 . . . A 10 LYS HA . 25853 1 93 . 1 1 10 10 LYS HB2 H 1 1.913 0.02 . 2 . . . A 10 LYS HB2 . 25853 1 94 . 1 1 10 10 LYS HB3 H 1 1.638 0.02 . 2 . . . A 10 LYS HB3 . 25853 1 95 . 1 1 10 10 LYS HG2 H 1 1.633 0.02 . 2 . . . A 10 LYS HG2 . 25853 1 96 . 1 1 10 10 LYS HG3 H 1 1.535 0.02 . 2 . . . A 10 LYS HG3 . 25853 1 97 . 1 1 10 10 LYS HD2 H 1 1.741 0.02 . 2 . . . A 10 LYS HD2 . 25853 1 98 . 1 1 10 10 LYS HD3 H 1 1.741 0.02 . 2 . . . A 10 LYS HD3 . 25853 1 99 . 1 1 10 10 LYS HE2 H 1 3.018 0.02 . 2 . . . A 10 LYS HE2 . 25853 1 100 . 1 1 10 10 LYS HE3 H 1 3.018 0.02 . 2 . . . A 10 LYS HE3 . 25853 1 101 . 1 1 10 10 LYS CA C 13 55.861 0.3 . 1 . . . A 10 LYS CA . 25853 1 102 . 1 1 10 10 LYS CB C 13 30.876 0.3 . 1 . . . A 10 LYS CB . 25853 1 103 . 1 1 10 10 LYS CG C 13 25.266 0.3 . 1 . . . A 10 LYS CG . 25853 1 104 . 1 1 10 10 LYS CD C 13 28.851 0.3 . 1 . . . A 10 LYS CD . 25853 1 105 . 1 1 10 10 LYS CE C 13 42.152 0.3 . 1 . . . A 10 LYS CE . 25853 1 106 . 1 1 10 10 LYS N N 15 122.375 0.2 . 1 . . . A 10 LYS N . 25853 1 107 . 1 1 11 11 PRO HA H 1 4.346 0.02 . 1 . . . A 11 PRO HA . 25853 1 108 . 1 1 11 11 PRO HB2 H 1 2.369 0.02 . 2 . . . A 11 PRO HB2 . 25853 1 109 . 1 1 11 11 PRO HB3 H 1 1.767 0.02 . 2 . . . A 11 PRO HB3 . 25853 1 110 . 1 1 11 11 PRO HG2 H 1 2.092 0.02 . 2 . . . A 11 PRO HG2 . 25853 1 111 . 1 1 11 11 PRO HG3 H 1 2.010 0.02 . 2 . . . A 11 PRO HG3 . 25853 1 112 . 1 1 11 11 PRO HD2 H 1 3.557 0.02 . 2 . . . A 11 PRO HD2 . 25853 1 113 . 1 1 11 11 PRO HD3 H 1 3.836 0.02 . 2 . . . A 11 PRO HD3 . 25853 1 114 . 1 1 11 11 PRO C C 13 175.600 0.3 . 1 . . . A 11 PRO C . 25853 1 115 . 1 1 11 11 PRO CA C 13 64.060 0.3 . 1 . . . A 11 PRO CA . 25853 1 116 . 1 1 11 11 PRO CB C 13 32.059 0.3 . 1 . . . A 11 PRO CB . 25853 1 117 . 1 1 11 11 PRO CG C 13 27.922 0.3 . 1 . . . A 11 PRO CG . 25853 1 118 . 1 1 11 11 PRO CD C 13 50.479 0.3 . 1 . . . A 11 PRO CD . 25853 1 119 . 1 1 12 12 ASN H H 1 8.740 0.02 . 1 . . . A 12 ASN H . 25853 1 120 . 1 1 12 12 ASN HA H 1 4.375 0.02 . 1 . . . A 12 ASN HA . 25853 1 121 . 1 1 12 12 ASN HB2 H 1 3.096 0.02 . 2 . . . A 12 ASN HB2 . 25853 1 122 . 1 1 12 12 ASN HB3 H 1 2.841 0.02 . 2 . . . A 12 ASN HB3 . 25853 1 123 . 1 1 12 12 ASN HD21 H 1 7.556 0.02 . 2 . . . A 12 ASN HD21 . 25853 1 124 . 1 1 12 12 ASN HD22 H 1 6.995 0.02 . 2 . . . A 12 ASN HD22 . 25853 1 125 . 1 1 12 12 ASN C C 13 174.843 0.3 . 1 . . . A 12 ASN C . 25853 1 126 . 1 1 12 12 ASN CA C 13 54.064 0.3 . 1 . . . A 12 ASN CA . 25853 1 127 . 1 1 12 12 ASN CB C 13 36.825 0.3 . 1 . . . A 12 ASN CB . 25853 1 128 . 1 1 12 12 ASN N N 15 116.452 0.2 . 1 . . . A 12 ASN N . 25853 1 129 . 1 1 12 12 ASN ND2 N 15 113.965 0.2 . 1 . . . A 12 ASN ND2 . 25853 1 130 . 1 1 13 13 SER H H 1 7.941 0.02 . 1 . . . A 13 SER H . 25853 1 131 . 1 1 13 13 SER HA H 1 5.534 0.02 . 1 . . . A 13 SER HA . 25853 1 132 . 1 1 13 13 SER HB2 H 1 3.873 0.02 . 2 . . . A 13 SER HB2 . 25853 1 133 . 1 1 13 13 SER HB3 H 1 3.499 0.02 . 2 . . . A 13 SER HB3 . 25853 1 134 . 1 1 13 13 SER C C 13 171.947 0.3 . 1 . . . A 13 SER C . 25853 1 135 . 1 1 13 13 SER CA C 13 58.262 0.3 . 1 . . . A 13 SER CA . 25853 1 136 . 1 1 13 13 SER CB C 13 67.397 0.3 . 1 . . . A 13 SER CB . 25853 1 137 . 1 1 13 13 SER N N 15 114.112 0.2 . 1 . . . A 13 SER N . 25853 1 138 . 1 1 14 14 CYS H H 1 9.868 0.02 . 1 . . . A 14 CYS H . 25853 1 139 . 1 1 14 14 CYS HA H 1 5.126 0.02 . 1 . . . A 14 CYS HA . 25853 1 140 . 1 1 14 14 CYS HB2 H 1 3.375 0.02 . 2 . . . A 14 CYS HB2 . 25853 1 141 . 1 1 14 14 CYS HB3 H 1 2.694 0.02 . 2 . . . A 14 CYS HB3 . 25853 1 142 . 1 1 14 14 CYS CA C 13 56.032 0.3 . 1 . . . A 14 CYS CA . 25853 1 143 . 1 1 14 14 CYS CB C 13 42.371 0.3 . 1 . . . A 14 CYS CB . 25853 1 144 . 1 1 14 14 CYS N N 15 120.894 0.2 . 1 . . . A 14 CYS N . 25853 1 145 . 1 1 15 15 CYS H H 1 8.957 0.02 . 1 . . . A 15 CYS H . 25853 1 146 . 1 1 15 15 CYS HA H 1 5.528 0.02 . 1 . . . A 15 CYS HA . 25853 1 147 . 1 1 15 15 CYS HB2 H 1 2.792 0.02 . 2 . . . A 15 CYS HB2 . 25853 1 148 . 1 1 15 15 CYS HB3 H 1 2.931 0.02 . 2 . . . A 15 CYS HB3 . 25853 1 149 . 1 1 15 15 CYS CB C 13 38.295 0.3 . 1 . . . A 15 CYS CB . 25853 1 150 . 1 1 15 15 CYS N N 15 118.121 0.2 . 1 . . . A 15 CYS N . 25853 1 151 . 1 1 16 16 VAL H H 1 8.926 0.02 . 1 . . . A 16 VAL H . 25853 1 152 . 1 1 16 16 VAL HA H 1 4.854 0.02 . 1 . . . A 16 VAL HA . 25853 1 153 . 1 1 16 16 VAL HB H 1 1.533 0.02 . 1 . . . A 16 VAL HB . 25853 1 154 . 1 1 16 16 VAL HG11 H 1 0.497 0.02 . 2 . . . A 16 VAL HG11 . 25853 1 155 . 1 1 16 16 VAL HG12 H 1 0.497 0.02 . 2 . . . A 16 VAL HG12 . 25853 1 156 . 1 1 16 16 VAL HG13 H 1 0.497 0.02 . 2 . . . A 16 VAL HG13 . 25853 1 157 . 1 1 16 16 VAL HG21 H 1 0.342 0.02 . 2 . . . A 16 VAL HG21 . 25853 1 158 . 1 1 16 16 VAL HG22 H 1 0.342 0.02 . 2 . . . A 16 VAL HG22 . 25853 1 159 . 1 1 16 16 VAL HG23 H 1 0.342 0.02 . 2 . . . A 16 VAL HG23 . 25853 1 160 . 1 1 16 16 VAL C C 13 175.555 0.3 . 1 . . . A 16 VAL C . 25853 1 161 . 1 1 16 16 VAL CA C 13 58.847 0.3 . 1 . . . A 16 VAL CA . 25853 1 162 . 1 1 16 16 VAL CB C 13 34.657 0.3 . 1 . . . A 16 VAL CB . 25853 1 163 . 1 1 16 16 VAL CG1 C 13 19.895 0.3 . 2 . . . A 16 VAL CG1 . 25853 1 164 . 1 1 16 16 VAL CG2 C 13 20.883 0.3 . 2 . . . A 16 VAL CG2 . 25853 1 165 . 1 1 16 16 VAL N N 15 120.961 0.2 . 1 . . . A 16 VAL N . 25853 1 166 . 1 1 17 17 GLN H H 1 8.310 0.02 . 1 . . . A 17 GLN H . 25853 1 167 . 1 1 17 17 GLN HA H 1 4.150 0.02 . 1 . . . A 17 GLN HA . 25853 1 168 . 1 1 17 17 GLN HB2 H 1 2.032 0.02 . 2 . . . A 17 GLN HB2 . 25853 1 169 . 1 1 17 17 GLN HB3 H 1 1.946 0.02 . 2 . . . A 17 GLN HB3 . 25853 1 170 . 1 1 17 17 GLN HG2 H 1 2.291 0.02 . 2 . . . A 17 GLN HG2 . 25853 1 171 . 1 1 17 17 GLN HG3 H 1 2.239 0.02 . 2 . . . A 17 GLN HG3 . 25853 1 172 . 1 1 17 17 GLN HE21 H 1 7.506 0.02 . 2 . . . A 17 GLN HE21 . 25853 1 173 . 1 1 17 17 GLN HE22 H 1 6.705 0.02 . 2 . . . A 17 GLN HE22 . 25853 1 174 . 1 1 17 17 GLN C C 13 174.889 0.3 . 1 . . . A 17 GLN C . 25853 1 175 . 1 1 17 17 GLN CA C 13 56.677 0.3 . 1 . . . A 17 GLN CA . 25853 1 176 . 1 1 17 17 GLN CB C 13 30.632 0.3 . 1 . . . A 17 GLN CB . 25853 1 177 . 1 1 17 17 GLN CG C 13 33.303 0.3 . 1 . . . A 17 GLN CG . 25853 1 178 . 1 1 17 17 GLN N N 15 121.824 0.2 . 1 . . . A 17 GLN N . 25853 1 179 . 1 1 17 17 GLN NE2 N 15 111.014 0.2 . 1 . . . A 17 GLN NE2 . 25853 1 180 . 1 1 18 18 ASN H H 1 8.668 0.02 . 1 . . . A 18 ASN H . 25853 1 181 . 1 1 18 18 ASN HA H 1 4.677 0.02 . 1 . . . A 18 ASN HA . 25853 1 182 . 1 1 18 18 ASN HB2 H 1 2.863 0.02 . 2 . . . A 18 ASN HB2 . 25853 1 183 . 1 1 18 18 ASN HB3 H 1 2.660 0.02 . 2 . . . A 18 ASN HB3 . 25853 1 184 . 1 1 18 18 ASN HD21 H 1 7.640 0.02 . 2 . . . A 18 ASN HD21 . 25853 1 185 . 1 1 18 18 ASN HD22 H 1 6.917 0.02 . 2 . . . A 18 ASN HD22 . 25853 1 186 . 1 1 18 18 ASN C C 13 175.315 0.3 . 1 . . . A 18 ASN C . 25853 1 187 . 1 1 18 18 ASN CA C 13 53.349 0.3 . 1 . . . A 18 ASN CA . 25853 1 188 . 1 1 18 18 ASN CB C 13 39.089 0.3 . 1 . . . A 18 ASN CB . 25853 1 189 . 1 1 18 18 ASN N N 15 120.596 0.2 . 1 . . . A 18 ASN N . 25853 1 190 . 1 1 18 18 ASN ND2 N 15 112.627 0.2 . 1 . . . A 18 ASN ND2 . 25853 1 191 . 1 1 19 19 SER H H 1 8.444 0.02 . 1 . . . A 19 SER H . 25853 1 192 . 1 1 19 19 SER HA H 1 4.374 0.02 . 1 . . . A 19 SER HA . 25853 1 193 . 1 1 19 19 SER HB2 H 1 3.787 0.02 . 2 . . . A 19 SER HB2 . 25853 1 194 . 1 1 19 19 SER HB3 H 1 3.748 0.02 . 2 . . . A 19 SER HB3 . 25853 1 195 . 1 1 19 19 SER C C 13 174.661 0.3 . 1 . . . A 19 SER C . 25853 1 196 . 1 1 19 19 SER CA C 13 58.809 0.3 . 1 . . . A 19 SER CA . 25853 1 197 . 1 1 19 19 SER CB C 13 63.800 0.3 . 1 . . . A 19 SER CB . 25853 1 198 . 1 1 19 19 SER N N 15 116.881 0.2 . 1 . . . A 19 SER N . 25853 1 199 . 1 1 20 20 HIS H H 1 8.506 0.02 . 1 . . . A 20 HIS H . 25853 1 200 . 1 1 20 20 HIS HA H 1 4.688 0.02 . 1 . . . A 20 HIS HA . 25853 1 201 . 1 1 20 20 HIS HB2 H 1 3.277 0.02 . 2 . . . A 20 HIS HB2 . 25853 1 202 . 1 1 20 20 HIS HB3 H 1 3.099 0.02 . 2 . . . A 20 HIS HB3 . 25853 1 203 . 1 1 20 20 HIS HD2 H 1 7.166 0.02 . 1 . . . A 20 HIS HD2 . 25853 1 204 . 1 1 20 20 HIS HE1 H 1 8.285 0.02 . 1 . . . A 20 HIS HE1 . 25853 1 205 . 1 1 20 20 HIS C C 13 175.089 0.3 . 1 . . . A 20 HIS C . 25853 1 206 . 1 1 20 20 HIS CA C 13 55.800 0.3 . 1 . . . A 20 HIS CA . 25853 1 207 . 1 1 20 20 HIS CB C 13 29.470 0.3 . 1 . . . A 20 HIS CB . 25853 1 208 . 1 1 20 20 HIS CD2 C 13 120.025 0.3 . 1 . . . A 20 HIS CD2 . 25853 1 209 . 1 1 20 20 HIS CE1 C 13 137.085 0.3 . 1 . . . A 20 HIS CE1 . 25853 1 210 . 1 1 20 20 HIS N N 15 120.164 0.2 . 1 . . . A 20 HIS N . 25853 1 211 . 1 1 21 21 GLY H H 1 8.294 0.02 . 1 . . . A 21 GLY H . 25853 1 212 . 1 1 21 21 GLY HA2 H 1 3.994 0.02 . 2 . . . A 21 GLY HA2 . 25853 1 213 . 1 1 21 21 GLY HA3 H 1 3.870 0.02 . 2 . . . A 21 GLY HA3 . 25853 1 214 . 1 1 21 21 GLY C C 13 174.060 0.3 . 1 . . . A 21 GLY C . 25853 1 215 . 1 1 21 21 GLY CA C 13 45.429 0.3 . 1 . . . A 21 GLY CA . 25853 1 216 . 1 1 21 21 GLY N N 15 109.894 0.2 . 1 . . . A 21 GLY N . 25853 1 217 . 1 1 22 22 LYS H H 1 8.325 0.02 . 1 . . . A 22 LYS H . 25853 1 218 . 1 1 22 22 LYS HA H 1 4.308 0.02 . 1 . . . A 22 LYS HA . 25853 1 219 . 1 1 22 22 LYS HB2 H 1 1.878 0.02 . 2 . . . A 22 LYS HB2 . 25853 1 220 . 1 1 22 22 LYS HB3 H 1 1.739 0.02 . 2 . . . A 22 LYS HB3 . 25853 1 221 . 1 1 22 22 LYS HG2 H 1 1.439 0.02 . 2 . . . A 22 LYS HG2 . 25853 1 222 . 1 1 22 22 LYS HG3 H 1 1.359 0.02 . 2 . . . A 22 LYS HG3 . 25853 1 223 . 1 1 22 22 LYS HD2 H 1 1.664 0.02 . 2 . . . A 22 LYS HD2 . 25853 1 224 . 1 1 22 22 LYS HD3 H 1 1.664 0.02 . 2 . . . A 22 LYS HD3 . 25853 1 225 . 1 1 22 22 LYS HE2 H 1 2.977 0.02 . 2 . . . A 22 LYS HE2 . 25853 1 226 . 1 1 22 22 LYS HE3 H 1 2.977 0.02 . 2 . . . A 22 LYS HE3 . 25853 1 227 . 1 1 22 22 LYS C C 13 177.137 0.3 . 1 . . . A 22 LYS C . 25853 1 228 . 1 1 22 22 LYS CA C 13 56.371 0.3 . 1 . . . A 22 LYS CA . 25853 1 229 . 1 1 22 22 LYS CB C 13 32.558 0.3 . 1 . . . A 22 LYS CB . 25853 1 230 . 1 1 22 22 LYS CG C 13 24.623 0.3 . 1 . . . A 22 LYS CG . 25853 1 231 . 1 1 22 22 LYS CD C 13 28.970 0.3 . 1 . . . A 22 LYS CD . 25853 1 232 . 1 1 22 22 LYS CE C 13 42.109 0.3 . 1 . . . A 22 LYS CE . 25853 1 233 . 1 1 22 22 LYS N N 15 120.838 0.2 . 1 . . . A 22 LYS N . 25853 1 234 . 1 1 23 23 GLY H H 1 8.400 0.02 . 1 . . . A 23 GLY H . 25853 1 235 . 1 1 23 23 GLY HA2 H 1 3.975 0.02 . 2 . . . A 23 GLY HA2 . 25853 1 236 . 1 1 23 23 GLY HA3 H 1 3.926 0.02 . 2 . . . A 23 GLY HA3 . 25853 1 237 . 1 1 23 23 GLY C C 13 173.966 0.3 . 1 . . . A 23 GLY C . 25853 1 238 . 1 1 23 23 GLY CA C 13 45.213 0.3 . 1 . . . A 23 GLY CA . 25853 1 239 . 1 1 23 23 GLY N N 15 110.032 0.2 . 1 . . . A 23 GLY N . 25853 1 240 . 1 1 24 24 LYS H H 1 8.150 0.02 . 1 . . . A 24 LYS H . 25853 1 241 . 1 1 24 24 LYS HA H 1 4.360 0.02 . 1 . . . A 24 LYS HA . 25853 1 242 . 1 1 24 24 LYS HB2 H 1 1.799 0.02 . 2 . . . A 24 LYS HB2 . 25853 1 243 . 1 1 24 24 LYS HB3 H 1 1.679 0.02 . 2 . . . A 24 LYS HB3 . 25853 1 244 . 1 1 24 24 LYS HG2 H 1 1.356 0.02 . 2 . . . A 24 LYS HG2 . 25853 1 245 . 1 1 24 24 LYS HG3 H 1 1.356 0.02 . 2 . . . A 24 LYS HG3 . 25853 1 246 . 1 1 24 24 LYS HD2 H 1 1.624 0.02 . 2 . . . A 24 LYS HD2 . 25853 1 247 . 1 1 24 24 LYS HD3 H 1 1.624 0.02 . 2 . . . A 24 LYS HD3 . 25853 1 248 . 1 1 24 24 LYS HE2 H 1 2.963 0.02 . 2 . . . A 24 LYS HE2 . 25853 1 249 . 1 1 24 24 LYS HE3 H 1 2.963 0.02 . 2 . . . A 24 LYS HE3 . 25853 1 250 . 1 1 24 24 LYS C C 13 176.125 0.3 . 1 . . . A 24 LYS C . 25853 1 251 . 1 1 24 24 LYS CA C 13 56.047 0.3 . 1 . . . A 24 LYS CA . 25853 1 252 . 1 1 24 24 LYS CB C 13 32.997 0.3 . 1 . . . A 24 LYS CB . 25853 1 253 . 1 1 24 24 LYS CG C 13 24.612 0.3 . 1 . . . A 24 LYS CG . 25853 1 254 . 1 1 24 24 LYS CD C 13 29.339 0.3 . 1 . . . A 24 LYS CD . 25853 1 255 . 1 1 24 24 LYS CE C 13 42.110 0.3 . 1 . . . A 24 LYS CE . 25853 1 256 . 1 1 24 24 LYS N N 15 120.590 0.2 . 1 . . . A 24 LYS N . 25853 1 257 . 1 1 25 25 ASP H H 1 8.348 0.02 . 1 . . . A 25 ASP H . 25853 1 258 . 1 1 25 25 ASP HA H 1 4.689 0.02 . 1 . . . A 25 ASP HA . 25853 1 259 . 1 1 25 25 ASP HB2 H 1 2.721 0.02 . 2 . . . A 25 ASP HB2 . 25853 1 260 . 1 1 25 25 ASP HB3 H 1 2.617 0.02 . 2 . . . A 25 ASP HB3 . 25853 1 261 . 1 1 25 25 ASP C C 13 175.782 0.3 . 1 . . . A 25 ASP C . 25853 1 262 . 1 1 25 25 ASP CA C 13 54.024 0.3 . 1 . . . A 25 ASP CA . 25853 1 263 . 1 1 25 25 ASP CB C 13 41.872 0.3 . 1 . . . A 25 ASP CB . 25853 1 264 . 1 1 25 25 ASP N N 15 121.857 0.2 . 1 . . . A 25 ASP N . 25853 1 265 . 1 1 26 26 SER H H 1 8.332 0.02 . 1 . . . A 26 SER H . 25853 1 266 . 1 1 26 26 SER HA H 1 4.754 0.02 . 1 . . . A 26 SER HA . 25853 1 267 . 1 1 26 26 SER HB2 H 1 3.885 0.02 . 2 . . . A 26 SER HB2 . 25853 1 268 . 1 1 26 26 SER HB3 H 1 3.783 0.02 . 2 . . . A 26 SER HB3 . 25853 1 269 . 1 1 26 26 SER CA C 13 56.681 0.3 . 1 . . . A 26 SER CA . 25853 1 270 . 1 1 26 26 SER CB C 13 63.435 0.3 . 1 . . . A 26 SER CB . 25853 1 271 . 1 1 26 26 SER N N 15 116.768 0.2 . 1 . . . A 26 SER N . 25853 1 272 . 1 1 27 27 PRO HA H 1 4.758 0.02 . 1 . . . A 27 PRO HA . 25853 1 273 . 1 1 27 27 PRO HB2 H 1 2.068 0.02 . 2 . . . A 27 PRO HB2 . 25853 1 274 . 1 1 27 27 PRO HB3 H 1 1.727 0.02 . 2 . . . A 27 PRO HB3 . 25853 1 275 . 1 1 27 27 PRO HG2 H 1 1.978 0.02 . 2 . . . A 27 PRO HG2 . 25853 1 276 . 1 1 27 27 PRO HG3 H 1 1.924 0.02 . 2 . . . A 27 PRO HG3 . 25853 1 277 . 1 1 27 27 PRO HD2 H 1 3.812 0.02 . 2 . . . A 27 PRO HD2 . 25853 1 278 . 1 1 27 27 PRO HD3 H 1 3.553 0.02 . 2 . . . A 27 PRO HD3 . 25853 1 279 . 1 1 27 27 PRO C C 13 175.545 0.3 . 1 . . . A 27 PRO C . 25853 1 280 . 1 1 27 27 PRO CA C 13 63.071 0.3 . 1 . . . A 27 PRO CA . 25853 1 281 . 1 1 27 27 PRO CB C 13 32.542 0.3 . 1 . . . A 27 PRO CB . 25853 1 282 . 1 1 27 27 PRO CG C 13 27.780 0.3 . 1 . . . A 27 PRO CG . 25853 1 283 . 1 1 27 27 PRO CD C 13 50.634 0.3 . 1 . . . A 27 PRO CD . 25853 1 284 . 1 1 28 28 ARG H H 1 8.981 0.02 . 1 . . . A 28 ARG H . 25853 1 285 . 1 1 28 28 ARG HA H 1 4.750 0.02 . 1 . . . A 28 ARG HA . 25853 1 286 . 1 1 28 28 ARG HB2 H 1 1.812 0.02 . 2 . . . A 28 ARG HB2 . 25853 1 287 . 1 1 28 28 ARG HB3 H 1 1.725 0.02 . 2 . . . A 28 ARG HB3 . 25853 1 288 . 1 1 28 28 ARG HG2 H 1 1.646 0.02 . 2 . . . A 28 ARG HG2 . 25853 1 289 . 1 1 28 28 ARG HG3 H 1 1.601 0.02 . 2 . . . A 28 ARG HG3 . 25853 1 290 . 1 1 28 28 ARG HD2 H 1 3.200 0.02 . 2 . . . A 28 ARG HD2 . 25853 1 291 . 1 1 28 28 ARG HD3 H 1 3.200 0.02 . 2 . . . A 28 ARG HD3 . 25853 1 292 . 1 1 28 28 ARG C C 13 175.084 0.3 . 1 . . . A 28 ARG C . 25853 1 293 . 1 1 28 28 ARG CA C 13 54.233 0.3 . 1 . . . A 28 ARG CA . 25853 1 294 . 1 1 28 28 ARG CB C 13 34.066 0.3 . 1 . . . A 28 ARG CB . 25853 1 295 . 1 1 28 28 ARG CG C 13 26.726 0.3 . 1 . . . A 28 ARG CG . 25853 1 296 . 1 1 28 28 ARG CD C 13 43.529 0.3 . 1 . . . A 28 ARG CD . 25853 1 297 . 1 1 28 28 ARG N N 15 119.387 0.2 . 1 . . . A 28 ARG N . 25853 1 298 . 1 1 29 29 CYS H H 1 8.552 0.02 . 1 . . . A 29 CYS H . 25853 1 299 . 1 1 29 29 CYS HA H 1 5.105 0.02 . 1 . . . A 29 CYS HA . 25853 1 300 . 1 1 29 29 CYS HB2 H 1 2.965 0.02 . 2 . . . A 29 CYS HB2 . 25853 1 301 . 1 1 29 29 CYS HB3 H 1 2.847 0.02 . 2 . . . A 29 CYS HB3 . 25853 1 302 . 1 1 29 29 CYS C C 13 175.530 0.3 . 1 . . . A 29 CYS C . 25853 1 303 . 1 1 29 29 CYS CA C 13 56.220 0.3 . 1 . . . A 29 CYS CA . 25853 1 304 . 1 1 29 29 CYS CB C 13 41.115 0.3 . 1 . . . A 29 CYS CB . 25853 1 305 . 1 1 29 29 CYS N N 15 121.336 0.2 . 1 . . . A 29 CYS N . 25853 1 306 . 1 1 30 30 HIS H H 1 9.596 0.02 . 1 . . . A 30 HIS H . 25853 1 307 . 1 1 30 30 HIS HA H 1 5.024 0.02 . 1 . . . A 30 HIS HA . 25853 1 308 . 1 1 30 30 HIS HB2 H 1 3.089 0.02 . 2 . . . A 30 HIS HB2 . 25853 1 309 . 1 1 30 30 HIS HB3 H 1 2.883 0.02 . 2 . . . A 30 HIS HB3 . 25853 1 310 . 1 1 30 30 HIS HD2 H 1 7.249 0.02 . 1 . . . A 30 HIS HD2 . 25853 1 311 . 1 1 30 30 HIS HE1 H 1 8.229 0.02 . 1 . . . A 30 HIS HE1 . 25853 1 312 . 1 1 30 30 HIS CA C 13 54.056 0.3 . 1 . . . A 30 HIS CA . 25853 1 313 . 1 1 30 30 HIS CB C 13 34.719 0.3 . 1 . . . A 30 HIS CB . 25853 1 314 . 1 1 30 30 HIS CD2 C 13 121.447 0.3 . 1 . . . A 30 HIS CD2 . 25853 1 315 . 1 1 30 30 HIS CE1 C 13 137.885 0.3 . 1 . . . A 30 HIS CE1 . 25853 1 316 . 1 1 30 30 HIS N N 15 126.593 0.2 . 1 . . . A 30 HIS N . 25853 1 317 . 1 1 31 31 PRO HA H 1 4.761 0.02 . 1 . . . A 31 PRO HA . 25853 1 318 . 1 1 31 31 PRO HB2 H 1 2.302 0.02 . 2 . . . A 31 PRO HB2 . 25853 1 319 . 1 1 31 31 PRO HB3 H 1 1.850 0.02 . 2 . . . A 31 PRO HB3 . 25853 1 320 . 1 1 31 31 PRO HG2 H 1 1.783 0.02 . 2 . . . A 31 PRO HG2 . 25853 1 321 . 1 1 31 31 PRO HG3 H 1 1.783 0.02 . 2 . . . A 31 PRO HG3 . 25853 1 322 . 1 1 31 31 PRO HD2 H 1 3.433 0.02 . 2 . . . A 31 PRO HD2 . 25853 1 323 . 1 1 31 31 PRO HD3 H 1 2.385 0.02 . 2 . . . A 31 PRO HD3 . 25853 1 324 . 1 1 31 31 PRO C C 13 177.727 0.3 . 1 . . . A 31 PRO C . 25853 1 325 . 1 1 31 31 PRO CA C 13 63.070 0.3 . 1 . . . A 31 PRO CA . 25853 1 326 . 1 1 31 31 PRO CB C 13 32.474 0.3 . 1 . . . A 31 PRO CB . 25853 1 327 . 1 1 31 31 PRO CG C 13 27.473 0.3 . 1 . . . A 31 PRO CG . 25853 1 328 . 1 1 31 31 PRO CD C 13 50.453 0.3 . 1 . . . A 31 PRO CD . 25853 1 329 . 1 1 32 32 LEU H H 1 7.784 0.02 . 1 . . . A 32 LEU H . 25853 1 330 . 1 1 32 32 LEU HA H 1 3.997 0.02 . 1 . . . A 32 LEU HA . 25853 1 331 . 1 1 32 32 LEU HB2 H 1 1.121 0.02 . 2 . . . A 32 LEU HB2 . 25853 1 332 . 1 1 32 32 LEU HB3 H 1 1.531 0.02 . 2 . . . A 32 LEU HB3 . 25853 1 333 . 1 1 32 32 LEU HG H 1 1.240 0.02 . 1 . . . A 32 LEU HG . 25853 1 334 . 1 1 32 32 LEU HD11 H 1 0.830 0.02 . 2 . . . A 32 LEU HD11 . 25853 1 335 . 1 1 32 32 LEU HD12 H 1 0.830 0.02 . 2 . . . A 32 LEU HD12 . 25853 1 336 . 1 1 32 32 LEU HD13 H 1 0.830 0.02 . 2 . . . A 32 LEU HD13 . 25853 1 337 . 1 1 32 32 LEU HD21 H 1 0.649 0.02 . 2 . . . A 32 LEU HD21 . 25853 1 338 . 1 1 32 32 LEU HD22 H 1 0.649 0.02 . 2 . . . A 32 LEU HD22 . 25853 1 339 . 1 1 32 32 LEU HD23 H 1 0.649 0.02 . 2 . . . A 32 LEU HD23 . 25853 1 340 . 1 1 32 32 LEU C C 13 178.347 0.3 . 1 . . . A 32 LEU C . 25853 1 341 . 1 1 32 32 LEU CA C 13 55.241 0.3 . 1 . . . A 32 LEU CA . 25853 1 342 . 1 1 32 32 LEU CB C 13 41.350 0.3 . 1 . . . A 32 LEU CB . 25853 1 343 . 1 1 32 32 LEU CG C 13 27.007 0.3 . 1 . . . A 32 LEU CG . 25853 1 344 . 1 1 32 32 LEU CD1 C 13 26.106 0.3 . 2 . . . A 32 LEU CD1 . 25853 1 345 . 1 1 32 32 LEU CD2 C 13 22.166 0.3 . 2 . . . A 32 LEU CD2 . 25853 1 346 . 1 1 32 32 LEU N N 15 119.176 0.2 . 1 . . . A 32 LEU N . 25853 1 347 . 1 1 33 33 GLY H H 1 8.650 0.02 . 1 . . . A 33 GLY H . 25853 1 348 . 1 1 33 33 GLY HA2 H 1 3.963 0.02 . 2 . . . A 33 GLY HA2 . 25853 1 349 . 1 1 33 33 GLY HA3 H 1 4.170 0.02 . 2 . . . A 33 GLY HA3 . 25853 1 350 . 1 1 33 33 GLY C C 13 174.236 0.3 . 1 . . . A 33 GLY C . 25853 1 351 . 1 1 33 33 GLY CA C 13 47.661 0.3 . 1 . . . A 33 GLY CA . 25853 1 352 . 1 1 33 33 GLY N N 15 108.803 0.2 . 1 . . . A 33 GLY N . 25853 1 353 . 1 1 34 34 LYS H H 1 8.181 0.02 . 1 . . . A 34 LYS H . 25853 1 354 . 1 1 34 34 LYS HA H 1 4.321 0.02 . 1 . . . A 34 LYS HA . 25853 1 355 . 1 1 34 34 LYS HB2 H 1 1.900 0.02 . 2 . . . A 34 LYS HB2 . 25853 1 356 . 1 1 34 34 LYS HB3 H 1 1.570 0.02 . 2 . . . A 34 LYS HB3 . 25853 1 357 . 1 1 34 34 LYS HG2 H 1 1.499 0.02 . 2 . . . A 34 LYS HG2 . 25853 1 358 . 1 1 34 34 LYS HG3 H 1 1.411 0.02 . 2 . . . A 34 LYS HG3 . 25853 1 359 . 1 1 34 34 LYS HD2 H 1 1.689 0.02 . 2 . . . A 34 LYS HD2 . 25853 1 360 . 1 1 34 34 LYS HD3 H 1 1.689 0.02 . 2 . . . A 34 LYS HD3 . 25853 1 361 . 1 1 34 34 LYS HE2 H 1 3.022 0.02 . 2 . . . A 34 LYS HE2 . 25853 1 362 . 1 1 34 34 LYS HE3 H 1 3.022 0.02 . 2 . . . A 34 LYS HE3 . 25853 1 363 . 1 1 34 34 LYS C C 13 175.600 0.3 . 1 . . . A 34 LYS C . 25853 1 364 . 1 1 34 34 LYS CA C 13 54.155 0.3 . 1 . . . A 34 LYS CA . 25853 1 365 . 1 1 34 34 LYS CB C 13 34.504 0.3 . 1 . . . A 34 LYS CB . 25853 1 366 . 1 1 34 34 LYS CG C 13 25.176 0.3 . 1 . . . A 34 LYS CG . 25853 1 367 . 1 1 34 34 LYS CD C 13 29.352 0.3 . 1 . . . A 34 LYS CD . 25853 1 368 . 1 1 34 34 LYS CE C 13 42.140 0.3 . 1 . . . A 34 LYS CE . 25853 1 369 . 1 1 34 34 LYS N N 15 122.519 0.2 . 1 . . . A 34 LYS N . 25853 1 370 . 1 1 35 35 LEU H H 1 8.257 0.02 . 1 . . . A 35 LEU H . 25853 1 371 . 1 1 35 35 LEU HA H 1 3.413 0.02 . 1 . . . A 35 LEU HA . 25853 1 372 . 1 1 35 35 LEU HB2 H 1 1.605 0.02 . 2 . . . A 35 LEU HB2 . 25853 1 373 . 1 1 35 35 LEU HB3 H 1 1.404 0.02 . 2 . . . A 35 LEU HB3 . 25853 1 374 . 1 1 35 35 LEU HG H 1 1.497 0.02 . 1 . . . A 35 LEU HG . 25853 1 375 . 1 1 35 35 LEU HD11 H 1 0.926 0.02 . 2 . . . A 35 LEU HD11 . 25853 1 376 . 1 1 35 35 LEU HD12 H 1 0.926 0.02 . 2 . . . A 35 LEU HD12 . 25853 1 377 . 1 1 35 35 LEU HD13 H 1 0.926 0.02 . 2 . . . A 35 LEU HD13 . 25853 1 378 . 1 1 35 35 LEU HD21 H 1 0.883 0.02 . 2 . . . A 35 LEU HD21 . 25853 1 379 . 1 1 35 35 LEU HD22 H 1 0.883 0.02 . 2 . . . A 35 LEU HD22 . 25853 1 380 . 1 1 35 35 LEU HD23 H 1 0.883 0.02 . 2 . . . A 35 LEU HD23 . 25853 1 381 . 1 1 35 35 LEU C C 13 176.480 0.3 . 1 . . . A 35 LEU C . 25853 1 382 . 1 1 35 35 LEU CA C 13 57.784 0.3 . 1 . . . A 35 LEU CA . 25853 1 383 . 1 1 35 35 LEU CB C 13 42.114 0.3 . 1 . . . A 35 LEU CB . 25853 1 384 . 1 1 35 35 LEU CG C 13 26.446 0.3 . 1 . . . A 35 LEU CG . 25853 1 385 . 1 1 35 35 LEU CD1 C 13 23.782 0.3 . 2 . . . A 35 LEU CD1 . 25853 1 386 . 1 1 35 35 LEU CD2 C 13 25.848 0.3 . 2 . . . A 35 LEU CD2 . 25853 1 387 . 1 1 35 35 LEU N N 15 120.853 0.2 . 1 . . . A 35 LEU N . 25853 1 388 . 1 1 36 36 ASN H H 1 8.985 0.02 . 1 . . . A 36 ASN H . 25853 1 389 . 1 1 36 36 ASN HA H 1 4.224 0.02 . 1 . . . A 36 ASN HA . 25853 1 390 . 1 1 36 36 ASN HB2 H 1 3.229 0.02 . 2 . . . A 36 ASN HB2 . 25853 1 391 . 1 1 36 36 ASN HB3 H 1 2.989 0.02 . 2 . . . A 36 ASN HB3 . 25853 1 392 . 1 1 36 36 ASN HD21 H 1 7.598 0.02 . 2 . . . A 36 ASN HD21 . 25853 1 393 . 1 1 36 36 ASN HD22 H 1 6.987 0.02 . 2 . . . A 36 ASN HD22 . 25853 1 394 . 1 1 36 36 ASN C C 13 174.567 0.3 . 1 . . . A 36 ASN C . 25853 1 395 . 1 1 36 36 ASN CA C 13 55.874 0.3 . 1 . . . A 36 ASN CA . 25853 1 396 . 1 1 36 36 ASN CB C 13 37.437 0.3 . 1 . . . A 36 ASN CB . 25853 1 397 . 1 1 36 36 ASN N N 15 117.105 0.2 . 1 . . . A 36 ASN N . 25853 1 398 . 1 1 36 36 ASN ND2 N 15 113.047 0.2 . 1 . . . A 36 ASN ND2 . 25853 1 399 . 1 1 37 37 ASN H H 1 8.324 0.02 . 1 . . . A 37 ASN H . 25853 1 400 . 1 1 37 37 ASN HA H 1 4.906 0.02 . 1 . . . A 37 ASN HA . 25853 1 401 . 1 1 37 37 ASN HB2 H 1 2.909 0.02 . 2 . . . A 37 ASN HB2 . 25853 1 402 . 1 1 37 37 ASN HB3 H 1 2.746 0.02 . 2 . . . A 37 ASN HB3 . 25853 1 403 . 1 1 37 37 ASN HD21 H 1 7.337 0.02 . 2 . . . A 37 ASN HD21 . 25853 1 404 . 1 1 37 37 ASN HD22 H 1 7.337 0.02 . 2 . . . A 37 ASN HD22 . 25853 1 405 . 1 1 37 37 ASN CA C 13 51.807 0.3 . 1 . . . A 37 ASN CA . 25853 1 406 . 1 1 37 37 ASN CB C 13 38.386 0.3 . 1 . . . A 37 ASN CB . 25853 1 407 . 1 1 37 37 ASN N N 15 118.952 0.2 . 1 . . . A 37 ASN N . 25853 1 408 . 1 1 37 37 ASN ND2 N 15 111.649 0.2 . 1 . . . A 37 ASN ND2 . 25853 1 409 . 1 1 38 38 PRO HA H 1 4.896 0.02 . 1 . . . A 38 PRO HA . 25853 1 410 . 1 1 38 38 PRO HB2 H 1 1.919 0.02 . 2 . . . A 38 PRO HB2 . 25853 1 411 . 1 1 38 38 PRO HB3 H 1 0.368 0.02 . 2 . . . A 38 PRO HB3 . 25853 1 412 . 1 1 38 38 PRO HG2 H 1 1.640 0.02 . 2 . . . A 38 PRO HG2 . 25853 1 413 . 1 1 38 38 PRO HG3 H 1 1.582 0.02 . 2 . . . A 38 PRO HG3 . 25853 1 414 . 1 1 38 38 PRO HD2 H 1 3.777 0.02 . 2 . . . A 38 PRO HD2 . 25853 1 415 . 1 1 38 38 PRO HD3 H 1 3.454 0.02 . 2 . . . A 38 PRO HD3 . 25853 1 416 . 1 1 38 38 PRO C C 13 174.716 0.3 . 1 . . . A 38 PRO C . 25853 1 417 . 1 1 38 38 PRO CA C 13 62.411 0.3 . 1 . . . A 38 PRO CA . 25853 1 418 . 1 1 38 38 PRO CB C 13 31.320 0.3 . 1 . . . A 38 PRO CB . 25853 1 419 . 1 1 38 38 PRO CG C 13 27.991 0.3 . 1 . . . A 38 PRO CG . 25853 1 420 . 1 1 38 38 PRO CD C 13 50.302 0.3 . 1 . . . A 38 PRO CD . 25853 1 421 . 1 1 39 39 CYS H H 1 7.165 0.02 . 1 . . . A 39 CYS H . 25853 1 422 . 1 1 39 39 CYS HA H 1 4.964 0.02 . 1 . . . A 39 CYS HA . 25853 1 423 . 1 1 39 39 CYS HB2 H 1 3.239 0.02 . 2 . . . A 39 CYS HB2 . 25853 1 424 . 1 1 39 39 CYS HB3 H 1 3.001 0.02 . 2 . . . A 39 CYS HB3 . 25853 1 425 . 1 1 39 39 CYS C C 13 170.806 0.3 . 1 . . . A 39 CYS C . 25853 1 426 . 1 1 39 39 CYS CA C 13 53.759 0.3 . 1 . . . A 39 CYS CA . 25853 1 427 . 1 1 39 39 CYS CB C 13 48.207 0.3 . 1 . . . A 39 CYS CB . 25853 1 428 . 1 1 39 39 CYS N N 15 114.232 0.2 . 1 . . . A 39 CYS N . 25853 1 429 . 1 1 40 40 GLU H H 1 6.769 0.02 . 1 . . . A 40 GLU H . 25853 1 430 . 1 1 40 40 GLU HA H 1 4.491 0.02 . 1 . . . A 40 GLU HA . 25853 1 431 . 1 1 40 40 GLU HB2 H 1 2.188 0.02 . 2 . . . A 40 GLU HB2 . 25853 1 432 . 1 1 40 40 GLU HB3 H 1 1.966 0.02 . 2 . . . A 40 GLU HB3 . 25853 1 433 . 1 1 40 40 GLU HG2 H 1 2.579 0.02 . 2 . . . A 40 GLU HG2 . 25853 1 434 . 1 1 40 40 GLU HG3 H 1 2.188 0.02 . 2 . . . A 40 GLU HG3 . 25853 1 435 . 1 1 40 40 GLU C C 13 174.666 0.3 . 1 . . . A 40 GLU C . 25853 1 436 . 1 1 40 40 GLU CA C 13 54.967 0.3 . 1 . . . A 40 GLU CA . 25853 1 437 . 1 1 40 40 GLU CB C 13 34.744 0.3 . 1 . . . A 40 GLU CB . 25853 1 438 . 1 1 40 40 GLU CG C 13 38.847 0.3 . 1 . . . A 40 GLU CG . 25853 1 439 . 1 1 40 40 GLU N N 15 117.461 0.2 . 1 . . . A 40 GLU N . 25853 1 440 . 1 1 41 41 VAL H H 1 8.412 0.02 . 1 . . . A 41 VAL H . 25853 1 441 . 1 1 41 41 VAL HA H 1 4.286 0.02 . 1 . . . A 41 VAL HA . 25853 1 442 . 1 1 41 41 VAL HB H 1 2.141 0.02 . 1 . . . A 41 VAL HB . 25853 1 443 . 1 1 41 41 VAL HG11 H 1 0.998 0.02 . 2 . . . A 41 VAL HG11 . 25853 1 444 . 1 1 41 41 VAL HG12 H 1 0.998 0.02 . 2 . . . A 41 VAL HG12 . 25853 1 445 . 1 1 41 41 VAL HG13 H 1 0.998 0.02 . 2 . . . A 41 VAL HG13 . 25853 1 446 . 1 1 41 41 VAL HG21 H 1 0.931 0.02 . 2 . . . A 41 VAL HG21 . 25853 1 447 . 1 1 41 41 VAL HG22 H 1 0.931 0.02 . 2 . . . A 41 VAL HG22 . 25853 1 448 . 1 1 41 41 VAL HG23 H 1 0.931 0.02 . 2 . . . A 41 VAL HG23 . 25853 1 449 . 1 1 41 41 VAL C C 13 176.533 0.3 . 1 . . . A 41 VAL C . 25853 1 450 . 1 1 41 41 VAL CA C 13 63.021 0.3 . 1 . . . A 41 VAL CA . 25853 1 451 . 1 1 41 41 VAL CB C 13 33.696 0.3 . 1 . . . A 41 VAL CB . 25853 1 452 . 1 1 41 41 VAL CG1 C 13 22.018 0.3 . 2 . . . A 41 VAL CG1 . 25853 1 453 . 1 1 41 41 VAL CG2 C 13 20.902 0.3 . 2 . . . A 41 VAL CG2 . 25853 1 454 . 1 1 41 41 VAL N N 15 114.051 0.2 . 1 . . . A 41 VAL N . 25853 1 455 . 1 1 42 42 GLU H H 1 7.953 0.02 . 1 . . . A 42 GLU H . 25853 1 456 . 1 1 42 42 GLU HA H 1 5.101 0.02 . 1 . . . A 42 GLU HA . 25853 1 457 . 1 1 42 42 GLU HB2 H 1 2.093 0.02 . 2 . . . A 42 GLU HB2 . 25853 1 458 . 1 1 42 42 GLU HB3 H 1 1.966 0.02 . 2 . . . A 42 GLU HB3 . 25853 1 459 . 1 1 42 42 GLU HG2 H 1 2.306 0.02 . 2 . . . A 42 GLU HG2 . 25853 1 460 . 1 1 42 42 GLU HG3 H 1 2.306 0.02 . 2 . . . A 42 GLU HG3 . 25853 1 461 . 1 1 42 42 GLU CA C 13 53.084 0.3 . 1 . . . A 42 GLU CA . 25853 1 462 . 1 1 42 42 GLU CB C 13 31.691 0.3 . 1 . . . A 42 GLU CB . 25853 1 463 . 1 1 42 42 GLU CG C 13 35.455 0.3 . 1 . . . A 42 GLU CG . 25853 1 464 . 1 1 42 42 GLU N N 15 119.921 0.2 . 1 . . . A 42 GLU N . 25853 1 465 . 1 1 43 43 PRO HA H 1 3.886 0.02 . 1 . . . A 43 PRO HA . 25853 1 466 . 1 1 43 43 PRO HB2 H 1 1.304 0.02 . 2 . . . A 43 PRO HB2 . 25853 1 467 . 1 1 43 43 PRO HB3 H 1 0.379 0.02 . 2 . . . A 43 PRO HB3 . 25853 1 468 . 1 1 43 43 PRO HG2 H 1 1.778 0.02 . 2 . . . A 43 PRO HG2 . 25853 1 469 . 1 1 43 43 PRO HG3 H 1 1.778 0.02 . 2 . . . A 43 PRO HG3 . 25853 1 470 . 1 1 43 43 PRO HD2 H 1 3.771 0.02 . 2 . . . A 43 PRO HD2 . 25853 1 471 . 1 1 43 43 PRO HD3 H 1 3.730 0.02 . 2 . . . A 43 PRO HD3 . 25853 1 472 . 1 1 43 43 PRO C C 13 175.662 0.3 . 1 . . . A 43 PRO C . 25853 1 473 . 1 1 43 43 PRO CA C 13 62.259 0.3 . 1 . . . A 43 PRO CA . 25853 1 474 . 1 1 43 43 PRO CB C 13 31.149 0.3 . 1 . . . A 43 PRO CB . 25853 1 475 . 1 1 43 43 PRO CG C 13 25.394 0.3 . 1 . . . A 43 PRO CG . 25853 1 476 . 1 1 43 43 PRO CD C 13 49.625 0.3 . 1 . . . A 43 PRO CD . 25853 1 477 . 1 1 44 44 ASN H H 1 8.075 0.02 . 1 . . . A 44 ASN H . 25853 1 478 . 1 1 44 44 ASN HA H 1 4.619 0.02 . 1 . . . A 44 ASN HA . 25853 1 479 . 1 1 44 44 ASN HB2 H 1 3.372 0.02 . 2 . . . A 44 ASN HB2 . 25853 1 480 . 1 1 44 44 ASN HB3 H 1 3.018 0.02 . 2 . . . A 44 ASN HB3 . 25853 1 481 . 1 1 44 44 ASN HD21 H 1 7.533 0.02 . 2 . . . A 44 ASN HD21 . 25853 1 482 . 1 1 44 44 ASN HD22 H 1 6.756 0.02 . 2 . . . A 44 ASN HD22 . 25853 1 483 . 1 1 44 44 ASN C C 13 176.956 0.3 . 1 . . . A 44 ASN C . 25853 1 484 . 1 1 44 44 ASN CA C 13 51.751 0.3 . 1 . . . A 44 ASN CA . 25853 1 485 . 1 1 44 44 ASN CB C 13 37.966 0.3 . 1 . . . A 44 ASN CB . 25853 1 486 . 1 1 44 44 ASN N N 15 115.849 0.2 . 1 . . . A 44 ASN N . 25853 1 487 . 1 1 44 44 ASN ND2 N 15 112.012 0.2 . 1 . . . A 44 ASN ND2 . 25853 1 488 . 1 1 45 45 GLU H H 1 9.216 0.02 . 1 . . . A 45 GLU H . 25853 1 489 . 1 1 45 45 GLU HA H 1 4.102 0.02 . 1 . . . A 45 GLU HA . 25853 1 490 . 1 1 45 45 GLU HB2 H 1 2.027 0.02 . 2 . . . A 45 GLU HB2 . 25853 1 491 . 1 1 45 45 GLU HB3 H 1 2.027 0.02 . 2 . . . A 45 GLU HB3 . 25853 1 492 . 1 1 45 45 GLU HG2 H 1 2.268 0.02 . 2 . . . A 45 GLU HG2 . 25853 1 493 . 1 1 45 45 GLU HG3 H 1 2.197 0.02 . 2 . . . A 45 GLU HG3 . 25853 1 494 . 1 1 45 45 GLU C C 13 176.477 0.3 . 1 . . . A 45 GLU C . 25853 1 495 . 1 1 45 45 GLU CA C 13 58.802 0.3 . 1 . . . A 45 GLU CA . 25853 1 496 . 1 1 45 45 GLU CB C 13 28.686 0.3 . 1 . . . A 45 GLU CB . 25853 1 497 . 1 1 45 45 GLU CG C 13 35.426 0.3 . 1 . . . A 45 GLU CG . 25853 1 498 . 1 1 45 45 GLU N N 15 117.926 0.2 . 1 . . . A 45 GLU N . 25853 1 499 . 1 1 46 46 ASN H H 1 7.894 0.02 . 1 . . . A 46 ASN H . 25853 1 500 . 1 1 46 46 ASN HA H 1 4.880 0.02 . 1 . . . A 46 ASN HA . 25853 1 501 . 1 1 46 46 ASN HB2 H 1 3.002 0.02 . 2 . . . A 46 ASN HB2 . 25853 1 502 . 1 1 46 46 ASN HB3 H 1 2.596 0.02 . 2 . . . A 46 ASN HB3 . 25853 1 503 . 1 1 46 46 ASN HD21 H 1 7.523 0.02 . 2 . . . A 46 ASN HD21 . 25853 1 504 . 1 1 46 46 ASN HD22 H 1 6.973 0.02 . 2 . . . A 46 ASN HD22 . 25853 1 505 . 1 1 46 46 ASN C C 13 175.308 0.3 . 1 . . . A 46 ASN C . 25853 1 506 . 1 1 46 46 ASN CA C 13 52.852 0.3 . 1 . . . A 46 ASN CA . 25853 1 507 . 1 1 46 46 ASN CB C 13 39.520 0.3 . 1 . . . A 46 ASN CB . 25853 1 508 . 1 1 46 46 ASN N N 15 116.435 0.2 . 1 . . . A 46 ASN N . 25853 1 509 . 1 1 46 46 ASN ND2 N 15 112.932 0.2 . 1 . . . A 46 ASN ND2 . 25853 1 510 . 1 1 47 47 GLY H H 1 8.197 0.02 . 1 . . . A 47 GLY H . 25853 1 511 . 1 1 47 47 GLY HA2 H 1 4.111 0.02 . 2 . . . A 47 GLY HA2 . 25853 1 512 . 1 1 47 47 GLY HA3 H 1 3.409 0.02 . 2 . . . A 47 GLY HA3 . 25853 1 513 . 1 1 47 47 GLY C C 13 172.910 0.3 . 1 . . . A 47 GLY C . 25853 1 514 . 1 1 47 47 GLY CA C 13 45.912 0.3 . 1 . . . A 47 GLY CA . 25853 1 515 . 1 1 47 47 GLY N N 15 107.490 0.2 . 1 . . . A 47 GLY N . 25853 1 516 . 1 1 48 48 ILE H H 1 7.396 0.02 . 1 . . . A 48 ILE H . 25853 1 517 . 1 1 48 48 ILE HA H 1 4.077 0.02 . 1 . . . A 48 ILE HA . 25853 1 518 . 1 1 48 48 ILE HB H 1 1.708 0.02 . 1 . . . A 48 ILE HB . 25853 1 519 . 1 1 48 48 ILE HG12 H 1 1.353 0.02 . 2 . . . A 48 ILE HG12 . 25853 1 520 . 1 1 48 48 ILE HG13 H 1 0.849 0.02 . 2 . . . A 48 ILE HG13 . 25853 1 521 . 1 1 48 48 ILE HG21 H 1 0.914 0.02 . 1 . . . A 48 ILE HG21 . 25853 1 522 . 1 1 48 48 ILE HG22 H 1 0.914 0.02 . 1 . . . A 48 ILE HG22 . 25853 1 523 . 1 1 48 48 ILE HG23 H 1 0.914 0.02 . 1 . . . A 48 ILE HG23 . 25853 1 524 . 1 1 48 48 ILE HD11 H 1 0.742 0.02 . 1 . . . A 48 ILE HD11 . 25853 1 525 . 1 1 48 48 ILE HD12 H 1 0.742 0.02 . 1 . . . A 48 ILE HD12 . 25853 1 526 . 1 1 48 48 ILE HD13 H 1 0.742 0.02 . 1 . . . A 48 ILE HD13 . 25853 1 527 . 1 1 48 48 ILE C C 13 175.172 0.3 . 1 . . . A 48 ILE C . 25853 1 528 . 1 1 48 48 ILE CA C 13 59.968 0.3 . 1 . . . A 48 ILE CA . 25853 1 529 . 1 1 48 48 ILE CB C 13 38.918 0.3 . 1 . . . A 48 ILE CB . 25853 1 530 . 1 1 48 48 ILE CG1 C 13 27.560 0.3 . 1 . . . A 48 ILE CG1 . 25853 1 531 . 1 1 48 48 ILE CG2 C 13 18.267 0.3 . 1 . . . A 48 ILE CG2 . 25853 1 532 . 1 1 48 48 ILE CD1 C 13 12.635 0.3 . 1 . . . A 48 ILE CD1 . 25853 1 533 . 1 1 48 48 ILE N N 15 120.052 0.2 . 1 . . . A 48 ILE N . 25853 1 534 . 1 1 49 49 TYR H H 1 8.852 0.02 . 1 . . . A 49 TYR H . 25853 1 535 . 1 1 49 49 TYR HA H 1 4.407 0.02 . 1 . . . A 49 TYR HA . 25853 1 536 . 1 1 49 49 TYR HB2 H 1 2.635 0.02 . 2 . . . A 49 TYR HB2 . 25853 1 537 . 1 1 49 49 TYR HB3 H 1 3.479 0.02 . 2 . . . A 49 TYR HB3 . 25853 1 538 . 1 1 49 49 TYR HD1 H 1 7.306 0.02 . 3 . . . A 49 TYR HD1 . 25853 1 539 . 1 1 49 49 TYR HD2 H 1 7.306 0.02 . 3 . . . A 49 TYR HD2 . 25853 1 540 . 1 1 49 49 TYR C C 13 174.986 0.3 . 1 . . . A 49 TYR C . 25853 1 541 . 1 1 49 49 TYR CA C 13 59.733 0.3 . 1 . . . A 49 TYR CA . 25853 1 542 . 1 1 49 49 TYR CB C 13 38.061 0.3 . 1 . . . A 49 TYR CB . 25853 1 543 . 1 1 49 49 TYR CD1 C 13 134.559 0.3 . 1 . . . A 49 TYR CD1 . 25853 1 544 . 1 1 49 49 TYR CD2 C 13 134.559 0.3 . 1 . . . A 49 TYR CD2 . 25853 1 545 . 1 1 49 49 TYR N N 15 129.078 0.2 . 1 . . . A 49 TYR N . 25853 1 546 . 1 1 50 50 SER H H 1 10.671 0.02 . 1 . . . A 50 SER H . 25853 1 547 . 1 1 50 50 SER HA H 1 4.516 0.02 . 1 . . . A 50 SER HA . 25853 1 548 . 1 1 50 50 SER HB2 H 1 4.175 0.02 . 2 . . . A 50 SER HB2 . 25853 1 549 . 1 1 50 50 SER HB3 H 1 4.076 0.02 . 2 . . . A 50 SER HB3 . 25853 1 550 . 1 1 50 50 SER C C 13 174.953 0.3 . 1 . . . A 50 SER C . 25853 1 551 . 1 1 50 50 SER CA C 13 61.735 0.3 . 1 . . . A 50 SER CA . 25853 1 552 . 1 1 50 50 SER CB C 13 63.133 0.3 . 1 . . . A 50 SER CB . 25853 1 553 . 1 1 50 50 SER N N 15 119.729 0.2 . 1 . . . A 50 SER N . 25853 1 554 . 1 1 51 51 GLN H H 1 10.268 0.02 . 1 . . . A 51 GLN H . 25853 1 555 . 1 1 51 51 GLN HA H 1 4.010 0.02 . 1 . . . A 51 GLN HA . 25853 1 556 . 1 1 51 51 GLN HB2 H 1 1.554 0.02 . 2 . . . A 51 GLN HB2 . 25853 1 557 . 1 1 51 51 GLN HB3 H 1 1.436 0.02 . 2 . . . A 51 GLN HB3 . 25853 1 558 . 1 1 51 51 GLN HG2 H 1 2.046 0.02 . 2 . . . A 51 GLN HG2 . 25853 1 559 . 1 1 51 51 GLN HG3 H 1 1.885 0.02 . 2 . . . A 51 GLN HG3 . 25853 1 560 . 1 1 51 51 GLN HE21 H 1 7.442 0.02 . 2 . . . A 51 GLN HE21 . 25853 1 561 . 1 1 51 51 GLN HE22 H 1 6.808 0.02 . 2 . . . A 51 GLN HE22 . 25853 1 562 . 1 1 51 51 GLN C C 13 173.612 0.3 . 1 . . . A 51 GLN C . 25853 1 563 . 1 1 51 51 GLN CA C 13 56.839 0.3 . 1 . . . A 51 GLN CA . 25853 1 564 . 1 1 51 51 GLN CB C 13 32.892 0.3 . 1 . . . A 51 GLN CB . 25853 1 565 . 1 1 51 51 GLN CG C 13 34.198 0.3 . 1 . . . A 51 GLN CG . 25853 1 566 . 1 1 51 51 GLN N N 15 118.471 0.2 . 1 . . . A 51 GLN N . 25853 1 567 . 1 1 51 51 GLN NE2 N 15 111.729 0.2 . 1 . . . A 51 GLN NE2 . 25853 1 568 . 1 1 52 52 HIS H H 1 8.370 0.02 . 1 . . . A 52 HIS H . 25853 1 569 . 1 1 52 52 HIS HA H 1 4.616 0.02 . 1 . . . A 52 HIS HA . 25853 1 570 . 1 1 52 52 HIS HB2 H 1 3.115 0.02 . 2 . . . A 52 HIS HB2 . 25853 1 571 . 1 1 52 52 HIS HB3 H 1 2.379 0.02 . 2 . . . A 52 HIS HB3 . 25853 1 572 . 1 1 52 52 HIS HD2 H 1 7.134 0.02 . 1 . . . A 52 HIS HD2 . 25853 1 573 . 1 1 52 52 HIS HE1 H 1 7.930 0.02 . 1 . . . A 52 HIS HE1 . 25853 1 574 . 1 1 52 52 HIS C C 13 172.078 0.3 . 1 . . . A 52 HIS C . 25853 1 575 . 1 1 52 52 HIS CA C 13 53.582 0.3 . 1 . . . A 52 HIS CA . 25853 1 576 . 1 1 52 52 HIS CB C 13 34.138 0.3 . 1 . . . A 52 HIS CB . 25853 1 577 . 1 1 52 52 HIS CD2 C 13 121.113 0.3 . 1 . . . A 52 HIS CD2 . 25853 1 578 . 1 1 52 52 HIS CE1 C 13 137.909 0.3 . 1 . . . A 52 HIS CE1 . 25853 1 579 . 1 1 52 52 HIS N N 15 117.131 0.2 . 1 . . . A 52 HIS N . 25853 1 580 . 1 1 53 53 CYS H H 1 7.636 0.02 . 1 . . . A 53 CYS H . 25853 1 581 . 1 1 53 53 CYS HA H 1 4.416 0.02 . 1 . . . A 53 CYS HA . 25853 1 582 . 1 1 53 53 CYS HB2 H 1 2.753 0.02 . 2 . . . A 53 CYS HB2 . 25853 1 583 . 1 1 53 53 CYS HB3 H 1 3.147 0.02 . 2 . . . A 53 CYS HB3 . 25853 1 584 . 1 1 53 53 CYS CA C 13 51.710 0.3 . 1 . . . A 53 CYS CA . 25853 1 585 . 1 1 53 53 CYS CB C 13 39.673 0.3 . 1 . . . A 53 CYS CB . 25853 1 586 . 1 1 53 53 CYS N N 15 112.231 0.2 . 1 . . . A 53 CYS N . 25853 1 587 . 1 1 54 54 PRO HA H 1 5.002 0.02 . 1 . . . A 54 PRO HA . 25853 1 588 . 1 1 54 54 PRO HB2 H 1 1.753 0.02 . 2 . . . A 54 PRO HB2 . 25853 1 589 . 1 1 54 54 PRO HB3 H 1 2.579 0.02 . 2 . . . A 54 PRO HB3 . 25853 1 590 . 1 1 54 54 PRO HG2 H 1 1.745 0.02 . 2 . . . A 54 PRO HG2 . 25853 1 591 . 1 1 54 54 PRO HG3 H 1 1.799 0.02 . 2 . . . A 54 PRO HG3 . 25853 1 592 . 1 1 54 54 PRO HD2 H 1 2.618 0.02 . 2 . . . A 54 PRO HD2 . 25853 1 593 . 1 1 54 54 PRO HD3 H 1 1.688 0.02 . 2 . . . A 54 PRO HD3 . 25853 1 594 . 1 1 54 54 PRO C C 13 174.863 0.3 . 1 . . . A 54 PRO C . 25853 1 595 . 1 1 54 54 PRO CA C 13 63.476 0.3 . 1 . . . A 54 PRO CA . 25853 1 596 . 1 1 54 54 PRO CB C 13 32.414 0.3 . 1 . . . A 54 PRO CB . 25853 1 597 . 1 1 54 54 PRO CG C 13 28.657 0.3 . 1 . . . A 54 PRO CG . 25853 1 598 . 1 1 54 54 PRO CD C 13 49.796 0.3 . 1 . . . A 54 PRO CD . 25853 1 599 . 1 1 55 55 CYS H H 1 8.571 0.02 . 1 . . . A 55 CYS H . 25853 1 600 . 1 1 55 55 CYS HA H 1 4.154 0.02 . 1 . . . A 55 CYS HA . 25853 1 601 . 1 1 55 55 CYS HB2 H 1 2.605 0.02 . 2 . . . A 55 CYS HB2 . 25853 1 602 . 1 1 55 55 CYS HB3 H 1 2.883 0.02 . 2 . . . A 55 CYS HB3 . 25853 1 603 . 1 1 55 55 CYS C C 13 175.032 0.3 . 1 . . . A 55 CYS C . 25853 1 604 . 1 1 55 55 CYS CA C 13 56.052 0.3 . 1 . . . A 55 CYS CA . 25853 1 605 . 1 1 55 55 CYS CB C 13 43.487 0.3 . 1 . . . A 55 CYS CB . 25853 1 606 . 1 1 55 55 CYS N N 15 116.464 0.2 . 1 . . . A 55 CYS N . 25853 1 607 . 1 1 56 56 GLY H H 1 8.812 0.02 . 1 . . . A 56 GLY H . 25853 1 608 . 1 1 56 56 GLY HA2 H 1 4.072 0.02 . 2 . . . A 56 GLY HA2 . 25853 1 609 . 1 1 56 56 GLY HA3 H 1 3.817 0.02 . 2 . . . A 56 GLY HA3 . 25853 1 610 . 1 1 56 56 GLY C C 13 171.606 0.3 . 1 . . . A 56 GLY C . 25853 1 611 . 1 1 56 56 GLY CA C 13 44.069 0.3 . 1 . . . A 56 GLY CA . 25853 1 612 . 1 1 56 56 GLY N N 15 107.523 0.2 . 1 . . . A 56 GLY N . 25853 1 613 . 1 1 57 57 GLU H H 1 8.151 0.02 . 1 . . . A 57 GLU H . 25853 1 614 . 1 1 57 57 GLU HA H 1 3.978 0.02 . 1 . . . A 57 GLU HA . 25853 1 615 . 1 1 57 57 GLU HB2 H 1 1.959 0.02 . 2 . . . A 57 GLU HB2 . 25853 1 616 . 1 1 57 57 GLU HB3 H 1 1.959 0.02 . 2 . . . A 57 GLU HB3 . 25853 1 617 . 1 1 57 57 GLU HG2 H 1 2.277 0.02 . 2 . . . A 57 GLU HG2 . 25853 1 618 . 1 1 57 57 GLU HG3 H 1 2.239 0.02 . 2 . . . A 57 GLU HG3 . 25853 1 619 . 1 1 57 57 GLU C C 13 177.505 0.3 . 1 . . . A 57 GLU C . 25853 1 620 . 1 1 57 57 GLU CA C 13 57.907 0.3 . 1 . . . A 57 GLU CA . 25853 1 621 . 1 1 57 57 GLU CB C 13 29.787 0.3 . 1 . . . A 57 GLU CB . 25853 1 622 . 1 1 57 57 GLU CG C 13 36.128 0.3 . 1 . . . A 57 GLU CG . 25853 1 623 . 1 1 57 57 GLU N N 15 116.413 0.2 . 1 . . . A 57 GLU N . 25853 1 624 . 1 1 58 58 GLY H H 1 8.888 0.02 . 1 . . . A 58 GLY H . 25853 1 625 . 1 1 58 58 GLY HA2 H 1 4.135 0.02 . 2 . . . A 58 GLY HA2 . 25853 1 626 . 1 1 58 58 GLY HA3 H 1 3.726 0.02 . 2 . . . A 58 GLY HA3 . 25853 1 627 . 1 1 58 58 GLY C C 13 173.733 0.3 . 1 . . . A 58 GLY C . 25853 1 628 . 1 1 58 58 GLY CA C 13 45.303 0.3 . 1 . . . A 58 GLY CA . 25853 1 629 . 1 1 58 58 GLY N N 15 111.817 0.2 . 1 . . . A 58 GLY N . 25853 1 630 . 1 1 59 59 LEU H H 1 7.649 0.02 . 1 . . . A 59 LEU H . 25853 1 631 . 1 1 59 59 LEU HA H 1 4.964 0.02 . 1 . . . A 59 LEU HA . 25853 1 632 . 1 1 59 59 LEU HB2 H 1 1.972 0.02 . 2 . . . A 59 LEU HB2 . 25853 1 633 . 1 1 59 59 LEU HB3 H 1 0.992 0.02 . 2 . . . A 59 LEU HB3 . 25853 1 634 . 1 1 59 59 LEU HG H 1 1.421 0.02 . 1 . . . A 59 LEU HG . 25853 1 635 . 1 1 59 59 LEU HD11 H 1 0.687 0.02 . 2 . . . A 59 LEU HD11 . 25853 1 636 . 1 1 59 59 LEU HD12 H 1 0.687 0.02 . 2 . . . A 59 LEU HD12 . 25853 1 637 . 1 1 59 59 LEU HD13 H 1 0.687 0.02 . 2 . . . A 59 LEU HD13 . 25853 1 638 . 1 1 59 59 LEU HD21 H 1 0.645 0.02 . 2 . . . A 59 LEU HD21 . 25853 1 639 . 1 1 59 59 LEU HD22 H 1 0.645 0.02 . 2 . . . A 59 LEU HD22 . 25853 1 640 . 1 1 59 59 LEU HD23 H 1 0.645 0.02 . 2 . . . A 59 LEU HD23 . 25853 1 641 . 1 1 59 59 LEU C C 13 175.593 0.3 . 1 . . . A 59 LEU C . 25853 1 642 . 1 1 59 59 LEU CA C 13 53.205 0.3 . 1 . . . A 59 LEU CA . 25853 1 643 . 1 1 59 59 LEU CB C 13 45.805 0.3 . 1 . . . A 59 LEU CB . 25853 1 644 . 1 1 59 59 LEU CG C 13 26.545 0.3 . 1 . . . A 59 LEU CG . 25853 1 645 . 1 1 59 59 LEU CD1 C 13 27.006 0.3 . 2 . . . A 59 LEU CD1 . 25853 1 646 . 1 1 59 59 LEU CD2 C 13 24.023 0.3 . 2 . . . A 59 LEU CD2 . 25853 1 647 . 1 1 59 59 LEU N N 15 119.973 0.2 . 1 . . . A 59 LEU N . 25853 1 648 . 1 1 60 60 SER H H 1 9.224 0.02 . 1 . . . A 60 SER H . 25853 1 649 . 1 1 60 60 SER HA H 1 4.684 0.02 . 1 . . . A 60 SER HA . 25853 1 650 . 1 1 60 60 SER HB2 H 1 3.548 0.02 . 2 . . . A 60 SER HB2 . 25853 1 651 . 1 1 60 60 SER HB3 H 1 3.592 0.02 . 2 . . . A 60 SER HB3 . 25853 1 652 . 1 1 60 60 SER C C 13 174.283 0.3 . 1 . . . A 60 SER C . 25853 1 653 . 1 1 60 60 SER CA C 13 56.657 0.3 . 1 . . . A 60 SER CA . 25853 1 654 . 1 1 60 60 SER CB C 13 65.563 0.3 . 1 . . . A 60 SER CB . 25853 1 655 . 1 1 60 60 SER N N 15 114.284 0.2 . 1 . . . A 60 SER N . 25853 1 656 . 1 1 61 61 CYS H H 1 8.974 0.02 . 1 . . . A 61 CYS H . 25853 1 657 . 1 1 61 61 CYS HA H 1 4.667 0.02 . 1 . . . A 61 CYS HA . 25853 1 658 . 1 1 61 61 CYS HB2 H 1 3.196 0.02 . 2 . . . A 61 CYS HB2 . 25853 1 659 . 1 1 61 61 CYS HB3 H 1 2.795 0.02 . 2 . . . A 61 CYS HB3 . 25853 1 660 . 1 1 61 61 CYS C C 13 173.159 0.3 . 1 . . . A 61 CYS C . 25853 1 661 . 1 1 61 61 CYS CA C 13 56.023 0.3 . 1 . . . A 61 CYS CA . 25853 1 662 . 1 1 61 61 CYS CB C 13 36.957 0.3 . 1 . . . A 61 CYS CB . 25853 1 663 . 1 1 61 61 CYS N N 15 128.535 0.2 . 1 . . . A 61 CYS N . 25853 1 664 . 1 1 62 62 THR H H 1 8.511 0.02 . 1 . . . A 62 THR H . 25853 1 665 . 1 1 62 62 THR HA H 1 4.398 0.02 . 1 . . . A 62 THR HA . 25853 1 666 . 1 1 62 62 THR HB H 1 3.809 0.02 . 1 . . . A 62 THR HB . 25853 1 667 . 1 1 62 62 THR HG21 H 1 1.095 0.02 . 1 . . . A 62 THR HG21 . 25853 1 668 . 1 1 62 62 THR HG22 H 1 1.095 0.02 . 1 . . . A 62 THR HG22 . 25853 1 669 . 1 1 62 62 THR HG23 H 1 1.095 0.02 . 1 . . . A 62 THR HG23 . 25853 1 670 . 1 1 62 62 THR C C 13 172.225 0.3 . 1 . . . A 62 THR C . 25853 1 671 . 1 1 62 62 THR CA C 13 61.913 0.3 . 1 . . . A 62 THR CA . 25853 1 672 . 1 1 62 62 THR CB C 13 71.935 0.3 . 1 . . . A 62 THR CB . 25853 1 673 . 1 1 62 62 THR CG2 C 13 20.547 0.3 . 1 . . . A 62 THR CG2 . 25853 1 674 . 1 1 62 62 THR N N 15 127.057 0.2 . 1 . . . A 62 THR N . 25853 1 675 . 1 1 63 63 LYS H H 1 8.703 0.02 . 1 . . . A 63 LYS H . 25853 1 676 . 1 1 63 63 LYS HA H 1 4.653 0.02 . 1 . . . A 63 LYS HA . 25853 1 677 . 1 1 63 63 LYS HB2 H 1 1.826 0.02 . 2 . . . A 63 LYS HB2 . 25853 1 678 . 1 1 63 63 LYS HB3 H 1 1.581 0.02 . 2 . . . A 63 LYS HB3 . 25853 1 679 . 1 1 63 63 LYS HG2 H 1 1.410 0.02 . 2 . . . A 63 LYS HG2 . 25853 1 680 . 1 1 63 63 LYS HG3 H 1 1.210 0.02 . 2 . . . A 63 LYS HG3 . 25853 1 681 . 1 1 63 63 LYS HD2 H 1 1.736 0.02 . 2 . . . A 63 LYS HD2 . 25853 1 682 . 1 1 63 63 LYS HD3 H 1 1.641 0.02 . 2 . . . A 63 LYS HD3 . 25853 1 683 . 1 1 63 63 LYS HE2 H 1 2.844 0.02 . 2 . . . A 63 LYS HE2 . 25853 1 684 . 1 1 63 63 LYS HE3 H 1 2.844 0.02 . 2 . . . A 63 LYS HE3 . 25853 1 685 . 1 1 63 63 LYS C C 13 176.687 0.3 . 1 . . . A 63 LYS C . 25853 1 686 . 1 1 63 63 LYS CA C 13 57.197 0.3 . 1 . . . A 63 LYS CA . 25853 1 687 . 1 1 63 63 LYS CB C 13 31.865 0.3 . 1 . . . A 63 LYS CB . 25853 1 688 . 1 1 63 63 LYS CG C 13 25.897 0.3 . 1 . . . A 63 LYS CG . 25853 1 689 . 1 1 63 63 LYS CD C 13 29.581 0.3 . 1 . . . A 63 LYS CD . 25853 1 690 . 1 1 63 63 LYS CE C 13 42.220 0.3 . 1 . . . A 63 LYS CE . 25853 1 691 . 1 1 63 63 LYS N N 15 126.629 0.2 . 1 . . . A 63 LYS N . 25853 1 692 . 1 1 64 64 VAL H H 1 8.970 0.02 . 1 . . . A 64 VAL H . 25853 1 693 . 1 1 64 64 VAL HA H 1 4.553 0.02 . 1 . . . A 64 VAL HA . 25853 1 694 . 1 1 64 64 VAL HB H 1 2.327 0.02 . 1 . . . A 64 VAL HB . 25853 1 695 . 1 1 64 64 VAL HG11 H 1 0.814 0.02 . 2 . . . A 64 VAL HG11 . 25853 1 696 . 1 1 64 64 VAL HG12 H 1 0.814 0.02 . 2 . . . A 64 VAL HG12 . 25853 1 697 . 1 1 64 64 VAL HG13 H 1 0.814 0.02 . 2 . . . A 64 VAL HG13 . 25853 1 698 . 1 1 64 64 VAL HG21 H 1 0.640 0.02 . 2 . . . A 64 VAL HG21 . 25853 1 699 . 1 1 64 64 VAL HG22 H 1 0.640 0.02 . 2 . . . A 64 VAL HG22 . 25853 1 700 . 1 1 64 64 VAL HG23 H 1 0.640 0.02 . 2 . . . A 64 VAL HG23 . 25853 1 701 . 1 1 64 64 VAL C C 13 175.765 0.3 . 1 . . . A 64 VAL C . 25853 1 702 . 1 1 64 64 VAL CA C 13 60.679 0.3 . 1 . . . A 64 VAL CA . 25853 1 703 . 1 1 64 64 VAL CB C 13 32.739 0.3 . 1 . . . A 64 VAL CB . 25853 1 704 . 1 1 64 64 VAL CG1 C 13 21.206 0.3 . 2 . . . A 64 VAL CG1 . 25853 1 705 . 1 1 64 64 VAL CG2 C 13 18.779 0.3 . 2 . . . A 64 VAL CG2 . 25853 1 706 . 1 1 64 64 VAL N N 15 121.648 0.2 . 1 . . . A 64 VAL N . 25853 1 707 . 1 1 65 65 GLY H H 1 7.676 0.02 . 1 . . . A 65 GLY H . 25853 1 708 . 1 1 65 65 GLY HA2 H 1 4.230 0.02 . 2 . . . A 65 GLY HA2 . 25853 1 709 . 1 1 65 65 GLY HA3 H 1 3.994 0.02 . 2 . . . A 65 GLY HA3 . 25853 1 710 . 1 1 65 65 GLY C C 13 171.482 0.3 . 1 . . . A 65 GLY C . 25853 1 711 . 1 1 65 65 GLY CA C 13 44.999 0.3 . 1 . . . A 65 GLY CA . 25853 1 712 . 1 1 65 65 GLY N N 15 109.277 0.2 . 1 . . . A 65 GLY N . 25853 1 713 . 1 1 66 66 GLU H H 1 8.567 0.02 . 1 . . . A 66 GLU H . 25853 1 714 . 1 1 66 66 GLU HA H 1 4.871 0.02 . 1 . . . A 66 GLU HA . 25853 1 715 . 1 1 66 66 GLU HB2 H 1 2.006 0.02 . 2 . . . A 66 GLU HB2 . 25853 1 716 . 1 1 66 66 GLU HB3 H 1 1.681 0.02 . 2 . . . A 66 GLU HB3 . 25853 1 717 . 1 1 66 66 GLU HG2 H 1 2.360 0.02 . 2 . . . A 66 GLU HG2 . 25853 1 718 . 1 1 66 66 GLU HG3 H 1 2.226 0.02 . 2 . . . A 66 GLU HG3 . 25853 1 719 . 1 1 66 66 GLU CA C 13 53.395 0.3 . 1 . . . A 66 GLU CA . 25853 1 720 . 1 1 66 66 GLU CB C 13 30.503 0.3 . 1 . . . A 66 GLU CB . 25853 1 721 . 1 1 66 66 GLU CG C 13 34.443 0.3 . 1 . . . A 66 GLU CG . 25853 1 722 . 1 1 66 66 GLU N N 15 118.752 0.2 . 1 . . . A 66 GLU N . 25853 1 723 . 1 1 67 67 PRO HA H 1 4.981 0.02 . 1 . . . A 67 PRO HA . 25853 1 724 . 1 1 67 67 PRO HB2 H 1 2.365 0.02 . 2 . . . A 67 PRO HB2 . 25853 1 725 . 1 1 67 67 PRO HB3 H 1 2.109 0.02 . 2 . . . A 67 PRO HB3 . 25853 1 726 . 1 1 67 67 PRO HG2 H 1 2.015 0.02 . 2 . . . A 67 PRO HG2 . 25853 1 727 . 1 1 67 67 PRO HG3 H 1 2.015 0.02 . 2 . . . A 67 PRO HG3 . 25853 1 728 . 1 1 67 67 PRO HD2 H 1 3.610 0.02 . 2 . . . A 67 PRO HD2 . 25853 1 729 . 1 1 67 67 PRO HD3 H 1 3.547 0.02 . 2 . . . A 67 PRO HD3 . 25853 1 730 . 1 1 67 67 PRO C C 13 176.621 0.3 . 1 . . . A 67 PRO C . 25853 1 731 . 1 1 67 67 PRO CA C 13 62.823 0.3 . 1 . . . A 67 PRO CA . 25853 1 732 . 1 1 67 67 PRO CB C 13 33.399 0.3 . 1 . . . A 67 PRO CB . 25853 1 733 . 1 1 67 67 PRO CG C 13 24.905 0.3 . 1 . . . A 67 PRO CG . 25853 1 734 . 1 1 67 67 PRO CD C 13 50.127 0.3 . 1 . . . A 67 PRO CD . 25853 1 735 . 1 1 68 68 ASN H H 1 8.463 0.02 . 1 . . . A 68 ASN H . 25853 1 736 . 1 1 68 68 ASN HA H 1 4.463 0.02 . 1 . . . A 68 ASN HA . 25853 1 737 . 1 1 68 68 ASN HB2 H 1 2.895 0.02 . 2 . . . A 68 ASN HB2 . 25853 1 738 . 1 1 68 68 ASN HB3 H 1 2.663 0.02 . 2 . . . A 68 ASN HB3 . 25853 1 739 . 1 1 68 68 ASN HD21 H 1 7.612 0.02 . 2 . . . A 68 ASN HD21 . 25853 1 740 . 1 1 68 68 ASN HD22 H 1 6.846 0.02 . 2 . . . A 68 ASN HD22 . 25853 1 741 . 1 1 68 68 ASN C C 13 173.209 0.3 . 1 . . . A 68 ASN C . 25853 1 742 . 1 1 68 68 ASN CA C 13 54.001 0.3 . 1 . . . A 68 ASN CA . 25853 1 743 . 1 1 68 68 ASN CB C 13 38.618 0.3 . 1 . . . A 68 ASN CB . 25853 1 744 . 1 1 68 68 ASN N N 15 121.782 0.2 . 1 . . . A 68 ASN N . 25853 1 745 . 1 1 68 68 ASN ND2 N 15 111.430 0.2 . 1 . . . A 68 ASN ND2 . 25853 1 746 . 1 1 69 69 LYS H H 1 7.919 0.02 . 1 . . . A 69 LYS H . 25853 1 747 . 1 1 69 69 LYS HA H 1 4.258 0.02 . 1 . . . A 69 LYS HA . 25853 1 748 . 1 1 69 69 LYS HB2 H 1 1.404 0.02 . 2 . . . A 69 LYS HB2 . 25853 1 749 . 1 1 69 69 LYS HB3 H 1 1.475 0.02 . 2 . . . A 69 LYS HB3 . 25853 1 750 . 1 1 69 69 LYS HG2 H 1 1.183 0.02 . 2 . . . A 69 LYS HG2 . 25853 1 751 . 1 1 69 69 LYS HG3 H 1 1.009 0.02 . 2 . . . A 69 LYS HG3 . 25853 1 752 . 1 1 69 69 LYS HD2 H 1 1.513 0.02 . 2 . . . A 69 LYS HD2 . 25853 1 753 . 1 1 69 69 LYS HD3 H 1 1.478 0.02 . 2 . . . A 69 LYS HD3 . 25853 1 754 . 1 1 69 69 LYS HE2 H 1 2.883 0.02 . 2 . . . A 69 LYS HE2 . 25853 1 755 . 1 1 69 69 LYS HE3 H 1 2.791 0.02 . 2 . . . A 69 LYS HE3 . 25853 1 756 . 1 1 69 69 LYS C C 13 174.142 0.3 . 1 . . . A 69 LYS C . 25853 1 757 . 1 1 69 69 LYS CA C 13 56.249 0.3 . 1 . . . A 69 LYS CA . 25853 1 758 . 1 1 69 69 LYS CB C 13 32.283 0.3 . 1 . . . A 69 LYS CB . 25853 1 759 . 1 1 69 69 LYS CG C 13 24.875 0.3 . 1 . . . A 69 LYS CG . 25853 1 760 . 1 1 69 69 LYS CD C 13 29.695 0.3 . 1 . . . A 69 LYS CD . 25853 1 761 . 1 1 69 69 LYS CE C 13 41.981 0.3 . 1 . . . A 69 LYS CE . 25853 1 762 . 1 1 69 69 LYS N N 15 120.130 0.2 . 1 . . . A 69 LYS N . 25853 1 763 . 1 1 70 70 LEU H H 1 8.124 0.02 . 1 . . . A 70 LEU H . 25853 1 764 . 1 1 70 70 LEU HA H 1 5.061 0.02 . 1 . . . A 70 LEU HA . 25853 1 765 . 1 1 70 70 LEU HB2 H 1 1.878 0.02 . 2 . . . A 70 LEU HB2 . 25853 1 766 . 1 1 70 70 LEU HB3 H 1 1.384 0.02 . 2 . . . A 70 LEU HB3 . 25853 1 767 . 1 1 70 70 LEU HG H 1 1.510 0.02 . 1 . . . A 70 LEU HG . 25853 1 768 . 1 1 70 70 LEU HD11 H 1 0.962 0.02 . 2 . . . A 70 LEU HD11 . 25853 1 769 . 1 1 70 70 LEU HD12 H 1 0.962 0.02 . 2 . . . A 70 LEU HD12 . 25853 1 770 . 1 1 70 70 LEU HD13 H 1 0.962 0.02 . 2 . . . A 70 LEU HD13 . 25853 1 771 . 1 1 70 70 LEU HD21 H 1 0.626 0.02 . 2 . . . A 70 LEU HD21 . 25853 1 772 . 1 1 70 70 LEU HD22 H 1 0.626 0.02 . 2 . . . A 70 LEU HD22 . 25853 1 773 . 1 1 70 70 LEU HD23 H 1 0.626 0.02 . 2 . . . A 70 LEU HD23 . 25853 1 774 . 1 1 70 70 LEU C C 13 178.321 0.3 . 1 . . . A 70 LEU C . 25853 1 775 . 1 1 70 70 LEU CA C 13 53.932 0.3 . 1 . . . A 70 LEU CA . 25853 1 776 . 1 1 70 70 LEU CB C 13 43.034 0.3 . 1 . . . A 70 LEU CB . 25853 1 777 . 1 1 70 70 LEU CG C 13 26.997 0.3 . 1 . . . A 70 LEU CG . 25853 1 778 . 1 1 70 70 LEU CD1 C 13 25.975 0.3 . 2 . . . A 70 LEU CD1 . 25853 1 779 . 1 1 70 70 LEU CD2 C 13 22.928 0.3 . 2 . . . A 70 LEU CD2 . 25853 1 780 . 1 1 70 70 LEU N N 15 128.061 0.2 . 1 . . . A 70 LEU N . 25853 1 781 . 1 1 71 71 ARG H H 1 9.143 0.02 . 1 . . . A 71 ARG H . 25853 1 782 . 1 1 71 71 ARG HA H 1 5.014 0.02 . 1 . . . A 71 ARG HA . 25853 1 783 . 1 1 71 71 ARG HB2 H 1 1.494 0.02 . 2 . . . A 71 ARG HB2 . 25853 1 784 . 1 1 71 71 ARG HB3 H 1 1.337 0.02 . 2 . . . A 71 ARG HB3 . 25853 1 785 . 1 1 71 71 ARG HG2 H 1 1.415 0.02 . 2 . . . A 71 ARG HG2 . 25853 1 786 . 1 1 71 71 ARG HG3 H 1 1.206 0.02 . 2 . . . A 71 ARG HG3 . 25853 1 787 . 1 1 71 71 ARG HD2 H 1 2.924 0.02 . 2 . . . A 71 ARG HD2 . 25853 1 788 . 1 1 71 71 ARG HD3 H 1 2.924 0.02 . 2 . . . A 71 ARG HD3 . 25853 1 789 . 1 1 71 71 ARG C C 13 176.757 0.3 . 1 . . . A 71 ARG C . 25853 1 790 . 1 1 71 71 ARG CA C 13 53.604 0.3 . 1 . . . A 71 ARG CA . 25853 1 791 . 1 1 71 71 ARG CB C 13 35.827 0.3 . 1 . . . A 71 ARG CB . 25853 1 792 . 1 1 71 71 ARG CG C 13 27.440 0.3 . 1 . . . A 71 ARG CG . 25853 1 793 . 1 1 71 71 ARG CD C 13 43.245 0.3 . 1 . . . A 71 ARG CD . 25853 1 794 . 1 1 71 71 ARG N N 15 122.594 0.2 . 1 . . . A 71 ARG N . 25853 1 795 . 1 1 72 72 CYS H H 1 8.512 0.02 . 1 . . . A 72 CYS H . 25853 1 796 . 1 1 72 72 CYS HA H 1 5.013 0.02 . 1 . . . A 72 CYS HA . 25853 1 797 . 1 1 72 72 CYS HB2 H 1 3.219 0.02 . 2 . . . A 72 CYS HB2 . 25853 1 798 . 1 1 72 72 CYS HB3 H 1 2.578 0.02 . 2 . . . A 72 CYS HB3 . 25853 1 799 . 1 1 72 72 CYS C C 13 175.776 0.3 . 1 . . . A 72 CYS C . 25853 1 800 . 1 1 72 72 CYS CA C 13 54.978 0.3 . 1 . . . A 72 CYS CA . 25853 1 801 . 1 1 72 72 CYS CB C 13 40.923 0.3 . 1 . . . A 72 CYS CB . 25853 1 802 . 1 1 72 72 CYS N N 15 119.113 0.2 . 1 . . . A 72 CYS N . 25853 1 803 . 1 1 73 73 GLN H H 1 9.228 0.02 . 1 . . . A 73 GLN H . 25853 1 804 . 1 1 73 73 GLN HA H 1 4.736 0.02 . 1 . . . A 73 GLN HA . 25853 1 805 . 1 1 73 73 GLN HB2 H 1 2.212 0.02 . 2 . . . A 73 GLN HB2 . 25853 1 806 . 1 1 73 73 GLN HB3 H 1 1.892 0.02 . 2 . . . A 73 GLN HB3 . 25853 1 807 . 1 1 73 73 GLN HG2 H 1 2.266 0.02 . 2 . . . A 73 GLN HG2 . 25853 1 808 . 1 1 73 73 GLN HG3 H 1 2.184 0.02 . 2 . . . A 73 GLN HG3 . 25853 1 809 . 1 1 73 73 GLN HE21 H 1 7.197 0.02 . 2 . . . A 73 GLN HE21 . 25853 1 810 . 1 1 73 73 GLN HE22 H 1 6.866 0.02 . 2 . . . A 73 GLN HE22 . 25853 1 811 . 1 1 73 73 GLN C C 13 174.367 0.3 . 1 . . . A 73 GLN C . 25853 1 812 . 1 1 73 73 GLN CA C 13 54.148 0.3 . 1 . . . A 73 GLN CA . 25853 1 813 . 1 1 73 73 GLN CB C 13 33.236 0.3 . 1 . . . A 73 GLN CB . 25853 1 814 . 1 1 73 73 GLN CG C 13 34.564 0.3 . 1 . . . A 73 GLN CG . 25853 1 815 . 1 1 73 73 GLN N N 15 125.642 0.2 . 1 . . . A 73 GLN N . 25853 1 816 . 1 1 73 73 GLN NE2 N 15 112.193 0.2 . 1 . . . A 73 GLN NE2 . 25853 1 817 . 1 1 74 74 GLU H H 1 8.949 0.02 . 1 . . . A 74 GLU H . 25853 1 818 . 1 1 74 74 GLU HA H 1 4.293 0.02 . 1 . . . A 74 GLU HA . 25853 1 819 . 1 1 74 74 GLU HB2 H 1 2.059 0.02 . 2 . . . A 74 GLU HB2 . 25853 1 820 . 1 1 74 74 GLU HB3 H 1 1.916 0.02 . 2 . . . A 74 GLU HB3 . 25853 1 821 . 1 1 74 74 GLU HG2 H 1 2.286 0.02 . 2 . . . A 74 GLU HG2 . 25853 1 822 . 1 1 74 74 GLU HG3 H 1 2.286 0.02 . 2 . . . A 74 GLU HG3 . 25853 1 823 . 1 1 74 74 GLU C C 13 176.630 0.3 . 1 . . . A 74 GLU C . 25853 1 824 . 1 1 74 74 GLU CA C 13 57.708 0.3 . 1 . . . A 74 GLU CA . 25853 1 825 . 1 1 74 74 GLU CB C 13 30.034 0.3 . 1 . . . A 74 GLU CB . 25853 1 826 . 1 1 74 74 GLU CG C 13 36.701 0.3 . 1 . . . A 74 GLU CG . 25853 1 827 . 1 1 74 74 GLU N N 15 121.726 0.2 . 1 . . . A 74 GLU N . 25853 1 828 . 1 1 75 75 GLU H H 1 8.240 0.02 . 1 . . . A 75 GLU H . 25853 1 829 . 1 1 75 75 GLU HA H 1 4.261 0.02 . 1 . . . A 75 GLU HA . 25853 1 830 . 1 1 75 75 GLU HB2 H 1 1.917 0.02 . 2 . . . A 75 GLU HB2 . 25853 1 831 . 1 1 75 75 GLU HB3 H 1 1.820 0.02 . 2 . . . A 75 GLU HB3 . 25853 1 832 . 1 1 75 75 GLU HG2 H 1 2.177 0.02 . 2 . . . A 75 GLU HG2 . 25853 1 833 . 1 1 75 75 GLU HG3 H 1 2.177 0.02 . 2 . . . A 75 GLU HG3 . 25853 1 834 . 1 1 75 75 GLU C C 13 175.368 0.3 . 1 . . . A 75 GLU C . 25853 1 835 . 1 1 75 75 GLU CA C 13 56.714 0.3 . 1 . . . A 75 GLU CA . 25853 1 836 . 1 1 75 75 GLU CB C 13 30.493 0.3 . 1 . . . A 75 GLU CB . 25853 1 837 . 1 1 75 75 GLU CG C 13 35.793 0.3 . 1 . . . A 75 GLU CG . 25853 1 838 . 1 1 75 75 GLU N N 15 123.739 0.2 . 1 . . . A 75 GLU N . 25853 1 839 . 1 1 76 76 SER H H 1 8.060 0.02 . 1 . . . A 76 SER H . 25853 1 840 . 1 1 76 76 SER HA H 1 4.249 0.02 . 1 . . . A 76 SER HA . 25853 1 841 . 1 1 76 76 SER HB2 H 1 3.822 0.02 . 2 . . . A 76 SER HB2 . 25853 1 842 . 1 1 76 76 SER HB3 H 1 3.822 0.02 . 2 . . . A 76 SER HB3 . 25853 1 843 . 1 1 76 76 SER CA C 13 59.919 0.3 . 1 . . . A 76 SER CA . 25853 1 844 . 1 1 76 76 SER CB C 13 65.010 0.3 . 1 . . . A 76 SER CB . 25853 1 845 . 1 1 76 76 SER N N 15 123.347 0.2 . 1 . . . A 76 SER N . 25853 1 stop_ save_