data_34392 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34392 _Entry.Title ; NMR structure of cytotoxin 3 from Naja kaouthia in solution, major form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-11 _Entry.Accession_date 2019-04-11 _Entry.Last_release_date 2020-05-04 _Entry.Original_release_date 2020-05-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _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 M. Dubinnyi M. A. . . 34392 2 P. Dubovskii P. V. . . 34392 3 Y. Utkin Y. N. . . 34392 4 A. Arseniev A. S. . . 34392 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Cobra snake venom' . 34392 TOXIN . 34392 'Three-finger toxin' . 34392 beta-structure . 34392 'cytolytic peptide' . 34392 'disulfide-rich protein' . 34392 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34392 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 34392 '15N chemical shifts' 56 34392 '1H chemical shifts' 439 34392 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 . . 2020-05-08 . original BMRB . 34392 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6RC7 'BMRB Entry Tracking System' 34392 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34392 _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 ; Variability in the spatial organization of cobra cytotoxins ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Dubinnyi M. A. . . 34392 1 2 P. Dubovskii P. V. . . 34392 1 3 Y. Utkin Y. N. . . 34392 1 4 A. Arseniev A. S. . . 34392 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34392 _Assembly.ID 1 _Assembly.Name 'Cytotoxin 3' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34392 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_asym_ID_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_asym_ID_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 3 3 SG . 1 . 1 CYS 21 21 SG . . . . . . . . . . . . 34392 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . . . 34392 1 3 disulfide single . 1 . 1 CYS 42 42 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . . . 34392 1 4 disulfide single . 1 . 1 CYS 54 54 SG . 1 . 1 CYS 59 59 SG . . . . . . . . . . . . 34392 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34392 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LKCNKLIPLAYKTCPAGKNL CYKMFMVSNKTVPVKRGCID ACPKNSLLVKYVCCNTDRCN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method nat _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6728.222 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Major form with trans configuration of ILE7-PRO8 peptide bond' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CX3 common 34392 1 'Toxin CM-7' common 34392 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LEU . 34392 1 2 . LYS . 34392 1 3 . CYS . 34392 1 4 . ASN . 34392 1 5 . LYS . 34392 1 6 . LEU . 34392 1 7 . ILE . 34392 1 8 . PRO . 34392 1 9 . LEU . 34392 1 10 . ALA . 34392 1 11 . TYR . 34392 1 12 . LYS . 34392 1 13 . THR . 34392 1 14 . CYS . 34392 1 15 . PRO . 34392 1 16 . ALA . 34392 1 17 . GLY . 34392 1 18 . LYS . 34392 1 19 . ASN . 34392 1 20 . LEU . 34392 1 21 . CYS . 34392 1 22 . TYR . 34392 1 23 . LYS . 34392 1 24 . MET . 34392 1 25 . PHE . 34392 1 26 . MET . 34392 1 27 . VAL . 34392 1 28 . SER . 34392 1 29 . ASN . 34392 1 30 . LYS . 34392 1 31 . THR . 34392 1 32 . VAL . 34392 1 33 . PRO . 34392 1 34 . VAL . 34392 1 35 . LYS . 34392 1 36 . ARG . 34392 1 37 . GLY . 34392 1 38 . CYS . 34392 1 39 . ILE . 34392 1 40 . ASP . 34392 1 41 . ALA . 34392 1 42 . CYS . 34392 1 43 . PRO . 34392 1 44 . LYS . 34392 1 45 . ASN . 34392 1 46 . SER . 34392 1 47 . LEU . 34392 1 48 . LEU . 34392 1 49 . VAL . 34392 1 50 . LYS . 34392 1 51 . TYR . 34392 1 52 . VAL . 34392 1 53 . CYS . 34392 1 54 . CYS . 34392 1 55 . ASN . 34392 1 56 . THR . 34392 1 57 . ASP . 34392 1 58 . ARG . 34392 1 59 . CYS . 34392 1 60 . ASN . 34392 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 . LEU 1 1 34392 1 . LYS 2 2 34392 1 . CYS 3 3 34392 1 . ASN 4 4 34392 1 . LYS 5 5 34392 1 . LEU 6 6 34392 1 . ILE 7 7 34392 1 . PRO 8 8 34392 1 . LEU 9 9 34392 1 . ALA 10 10 34392 1 . TYR 11 11 34392 1 . LYS 12 12 34392 1 . THR 13 13 34392 1 . CYS 14 14 34392 1 . PRO 15 15 34392 1 . ALA 16 16 34392 1 . GLY 17 17 34392 1 . LYS 18 18 34392 1 . ASN 19 19 34392 1 . LEU 20 20 34392 1 . CYS 21 21 34392 1 . TYR 22 22 34392 1 . LYS 23 23 34392 1 . MET 24 24 34392 1 . PHE 25 25 34392 1 . MET 26 26 34392 1 . VAL 27 27 34392 1 . SER 28 28 34392 1 . ASN 29 29 34392 1 . LYS 30 30 34392 1 . THR 31 31 34392 1 . VAL 32 32 34392 1 . PRO 33 33 34392 1 . VAL 34 34 34392 1 . LYS 35 35 34392 1 . ARG 36 36 34392 1 . GLY 37 37 34392 1 . CYS 38 38 34392 1 . ILE 39 39 34392 1 . ASP 40 40 34392 1 . ALA 41 41 34392 1 . CYS 42 42 34392 1 . PRO 43 43 34392 1 . LYS 44 44 34392 1 . ASN 45 45 34392 1 . SER 46 46 34392 1 . LEU 47 47 34392 1 . LEU 48 48 34392 1 . VAL 49 49 34392 1 . LYS 50 50 34392 1 . TYR 51 51 34392 1 . VAL 52 52 34392 1 . CYS 53 53 34392 1 . CYS 54 54 34392 1 . ASN 55 55 34392 1 . THR 56 56 34392 1 . ASP 57 57 34392 1 . ARG 58 58 34392 1 . CYS 59 59 34392 1 . ASN 60 60 34392 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 34392 _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 . 8649 organism . 'Naja kaouthia' 'Monocled cobra' . . Eukaryota Metazoa Naja kaouthia . . 'Venom gland' . . . . . . . . . . 34392 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 34392 _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 . . . . . . . . . . . . . . . . . . 34392 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34392 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '3 mM No Cytotoxin 3 from Naja kaouthia, 2 mM No Cytotoxin 2 from Naja kaouthia, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cytotoxin 3 from Naja kaouthia' 'natural abundance' . . 1 $entity_1 . . 3 . . mM . . . . 34392 1 2 'Cytotoxin 2 from Naja kaouthia' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 34392 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34392 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '3 mM No Cytotoxin 3 from Naja kaouthia, 2 mM No Cytotoxin 2 from Naja kaouthia, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cytotoxin 3 from Naja kaouthia' 'natural abundance' . . 1 $entity_1 . . 3 . . mM . . . . 34392 2 2 'Cytotoxin 2 from Naja kaouthia' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 34392 2 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 34392 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 0 mM 34392 1 pH 4.00 0.05 pH 34392 1 pressure 1 0.01 bar 34392 1 temperature 303 1 K 34392 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34392 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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 0 mM 34392 2 pH 4.0 0.05 pD 34392 2 pressure 1 0.01 bar 34392 2 temperature 303 1 K 34392 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34392 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34392 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34392 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34392 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34392 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34392 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34392 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34392 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34392 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34392 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version 1.9.1.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34392 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34392 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34392 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34392 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34392 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34392 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 34392 1 2 NMR_spectrometer_2 Bruker AVANCE . 700 . . . 34392 1 3 NMR_spectrometer_3 Bruker 'AVANCE II' . 800 . . . 34392 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 34392 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34392 1 2 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34392 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34392 1 4 '2D ROESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34392 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34392 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34392 1 7 '2D 1H-13C HSQC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34392 1 8 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34392 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34392 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34392 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 34392 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34392 1 H 1 water protons . . . . ppm 4.75 external direct 1.0 . . . . . 34392 1 N 15 water protons . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34392 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 34392 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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-1H TOCSY' . . . 34392 1 2 '2D DQF-COSY' . . . 34392 1 3 '2D 1H-1H NOESY' . . . 34392 1 4 '2D ROESY' . . . 34392 1 5 '2D 1H-13C HSQC' . . . 34392 1 6 '2D 1H-15N HSQC' . . . 34392 1 7 '2D 1H-13C HSQC-TOCSY' . . . 34392 1 8 '2D DQF-COSY' . . . 34392 1 9 '2D 1H-1H NOESY' . . . 34392 1 10 '2D 1H-1H TOCSY' . . . 34392 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 1 1 LEU HA H 1 4.162 0.020 . 1 . . . . A 1 LEU HA . 34392 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.552 0.020 . 1 . . . . A 1 LEU HB2 . 34392 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.552 0.020 . 1 . . . . A 1 LEU HB3 . 34392 1 4 . 1 . 1 1 1 LEU HG H 1 1.487 0.020 . 1 . . . . A 1 LEU HG . 34392 1 5 . 1 . 1 1 1 LEU HD11 H 1 0.756 0.020 . 1 . . . . A 1 LEU HD11 . 34392 1 6 . 1 . 1 1 1 LEU HD12 H 1 0.756 0.020 . 1 . . . . A 1 LEU HD12 . 34392 1 7 . 1 . 1 1 1 LEU HD13 H 1 0.756 0.020 . 1 . . . . A 1 LEU HD13 . 34392 1 8 . 1 . 1 1 1 LEU HD21 H 1 0.812 0.020 . 1 . . . . A 1 LEU HD21 . 34392 1 9 . 1 . 1 1 1 LEU HD22 H 1 0.812 0.020 . 1 . . . . A 1 LEU HD22 . 34392 1 10 . 1 . 1 1 1 LEU HD23 H 1 0.812 0.020 . 1 . . . . A 1 LEU HD23 . 34392 1 11 . 1 . 1 1 1 LEU CA C 13 52.212 0.050 . 1 . . . . A 1 LEU CA . 34392 1 12 . 1 . 1 1 1 LEU CB C 13 41.081 0.050 . 1 . . . . A 1 LEU CB . 34392 1 13 . 1 . 1 1 1 LEU CG C 13 24.123 0.050 . 1 . . . . A 1 LEU CG . 34392 1 14 . 1 . 1 1 1 LEU CD1 C 13 19.028 0.050 . 1 . . . . A 1 LEU CD1 . 34392 1 15 . 1 . 1 1 1 LEU CD2 C 13 23.429 0.050 . 1 . . . . A 1 LEU CD2 . 34392 1 16 . 1 . 1 2 2 LYS H H 1 8.582 0.020 . 1 . . . . A 2 LYS H . 34392 1 17 . 1 . 1 2 2 LYS HA H 1 5.433 0.020 . 1 . . . . A 2 LYS HA . 34392 1 18 . 1 . 1 2 2 LYS HB2 H 1 1.369 0.020 . 1 . . . . A 2 LYS HB2 . 34392 1 19 . 1 . 1 2 2 LYS HB3 H 1 1.369 0.020 . 1 . . . . A 2 LYS HB3 . 34392 1 20 . 1 . 1 2 2 LYS HG2 H 1 1.401 0.020 . 1 . . . . A 2 LYS HG2 . 34392 1 21 . 1 . 1 2 2 LYS HG3 H 1 1.401 0.020 . 1 . . . . A 2 LYS HG3 . 34392 1 22 . 1 . 1 2 2 LYS HD2 H 1 1.300 0.020 . 1 . . . . A 2 LYS HD2 . 34392 1 23 . 1 . 1 2 2 LYS HD3 H 1 1.300 0.020 . 1 . . . . A 2 LYS HD3 . 34392 1 24 . 1 . 1 2 2 LYS HE2 H 1 2.856 0.020 . 1 . . . . A 2 LYS HE2 . 34392 1 25 . 1 . 1 2 2 LYS HE3 H 1 2.856 0.020 . 1 . . . . A 2 LYS HE3 . 34392 1 26 . 1 . 1 2 2 LYS CA C 13 51.906 0.050 . 1 . . . . A 2 LYS CA . 34392 1 27 . 1 . 1 2 2 LYS CB C 13 33.361 0.050 . 1 . . . . A 2 LYS CB . 34392 1 28 . 1 . 1 2 2 LYS CG C 13 22.238 0.050 . 1 . . . . A 2 LYS CG . 34392 1 29 . 1 . 1 2 2 LYS CD C 13 27.206 0.050 . 1 . . . . A 2 LYS CD . 34392 1 30 . 1 . 1 2 2 LYS CE C 13 39.458 0.050 . 1 . . . . A 2 LYS CE . 34392 1 31 . 1 . 1 2 2 LYS N N 15 125.974 0.050 . 1 . . . . A 2 LYS N . 34392 1 32 . 1 . 1 3 3 CYS H H 1 8.796 0.020 . 1 . . . . A 3 CYS H . 34392 1 33 . 1 . 1 3 3 CYS HA H 1 5.114 0.020 . 1 . . . . A 3 CYS HA . 34392 1 34 . 1 . 1 3 3 CYS HB2 H 1 2.494 0.020 . 2 . . . . A 3 CYS HB2 . 34392 1 35 . 1 . 1 3 3 CYS HB3 H 1 2.876 0.020 . 2 . . . . A 3 CYS HB3 . 34392 1 36 . 1 . 1 3 3 CYS CA C 13 49.424 0.050 . 1 . . . . A 3 CYS CA . 34392 1 37 . 1 . 1 3 3 CYS CB C 13 38.500 0.050 . 1 . . . . A 3 CYS CB . 34392 1 38 . 1 . 1 3 3 CYS N N 15 117.602 0.050 . 1 . . . . A 3 CYS N . 34392 1 39 . 1 . 1 4 4 ASN H H 1 9.626 0.020 . 1 . . . . A 4 ASN H . 34392 1 40 . 1 . 1 4 4 ASN HA H 1 4.962 0.020 . 1 . . . . A 4 ASN HA . 34392 1 41 . 1 . 1 4 4 ASN HB2 H 1 2.220 0.020 . 2 . . . . A 4 ASN HB2 . 34392 1 42 . 1 . 1 4 4 ASN HB3 H 1 2.852 0.020 . 2 . . . . A 4 ASN HB3 . 34392 1 43 . 1 . 1 4 4 ASN HD21 H 1 6.576 0.020 . 1 . . . . A 4 ASN HD21 . 34392 1 44 . 1 . 1 4 4 ASN HD22 H 1 7.498 0.020 . 1 . . . . A 4 ASN HD22 . 34392 1 45 . 1 . 1 4 4 ASN CA C 13 52.187 0.050 . 1 . . . . A 4 ASN CA . 34392 1 46 . 1 . 1 4 4 ASN CB C 13 36.125 0.050 . 1 . . . . A 4 ASN CB . 34392 1 47 . 1 . 1 4 4 ASN N N 15 121.876 0.050 . 1 . . . . A 4 ASN N . 34392 1 48 . 1 . 1 5 5 LYS H H 1 7.782 0.020 . 1 . . . . A 5 LYS H . 34392 1 49 . 1 . 1 5 5 LYS HA H 1 4.465 0.020 . 1 . . . . A 5 LYS HA . 34392 1 50 . 1 . 1 5 5 LYS HB2 H 1 1.478 0.020 . 2 . . . . A 5 LYS HB2 . 34392 1 51 . 1 . 1 5 5 LYS HB3 H 1 2.191 0.020 . 2 . . . . A 5 LYS HB3 . 34392 1 52 . 1 . 1 5 5 LYS HG2 H 1 1.277 0.020 . 2 . . . . A 5 LYS HG2 . 34392 1 53 . 1 . 1 5 5 LYS HG3 H 1 1.442 0.020 . 2 . . . . A 5 LYS HG3 . 34392 1 54 . 1 . 1 5 5 LYS HD2 H 1 1.563 0.020 . 2 . . . . A 5 LYS HD2 . 34392 1 55 . 1 . 1 5 5 LYS HD3 H 1 1.649 0.020 . 2 . . . . A 5 LYS HD3 . 34392 1 56 . 1 . 1 5 5 LYS HE2 H 1 2.925 0.020 . 1 . . . . A 5 LYS HE2 . 34392 1 57 . 1 . 1 5 5 LYS HE3 H 1 2.925 0.020 . 1 . . . . A 5 LYS HE3 . 34392 1 58 . 1 . 1 5 5 LYS CA C 13 52.206 0.050 . 1 . . . . A 5 LYS CA . 34392 1 59 . 1 . 1 5 5 LYS CB C 13 31.234 0.050 . 1 . . . . A 5 LYS CB . 34392 1 60 . 1 . 1 5 5 LYS CG C 13 22.994 0.050 . 1 . . . . A 5 LYS CG . 34392 1 61 . 1 . 1 5 5 LYS CD C 13 26.792 0.050 . 1 . . . . A 5 LYS CD . 34392 1 62 . 1 . 1 5 5 LYS CE C 13 39.236 0.050 . 1 . . . . A 5 LYS CE . 34392 1 63 . 1 . 1 5 5 LYS N N 15 118.631 0.050 . 1 . . . . A 5 LYS N . 34392 1 64 . 1 . 1 6 6 LEU H H 1 8.297 0.020 . 1 . . . . A 6 LEU H . 34392 1 65 . 1 . 1 6 6 LEU HA H 1 3.843 0.020 . 1 . . . . A 6 LEU HA . 34392 1 66 . 1 . 1 6 6 LEU HB2 H 1 1.618 0.020 . 2 . . . . A 6 LEU HB2 . 34392 1 67 . 1 . 1 6 6 LEU HB3 H 1 1.698 0.020 . 2 . . . . A 6 LEU HB3 . 34392 1 68 . 1 . 1 6 6 LEU HG H 1 1.610 0.020 . 1 . . . . A 6 LEU HG . 34392 1 69 . 1 . 1 6 6 LEU HD11 H 1 0.744 0.020 . 1 . . . . A 6 LEU HD11 . 34392 1 70 . 1 . 1 6 6 LEU HD12 H 1 0.744 0.020 . 1 . . . . A 6 LEU HD12 . 34392 1 71 . 1 . 1 6 6 LEU HD13 H 1 0.744 0.020 . 1 . . . . A 6 LEU HD13 . 34392 1 72 . 1 . 1 6 6 LEU HD21 H 1 0.764 0.020 . 1 . . . . A 6 LEU HD21 . 34392 1 73 . 1 . 1 6 6 LEU HD22 H 1 0.764 0.020 . 1 . . . . A 6 LEU HD22 . 34392 1 74 . 1 . 1 6 6 LEU HD23 H 1 0.764 0.020 . 1 . . . . A 6 LEU HD23 . 34392 1 75 . 1 . 1 6 6 LEU CA C 13 55.599 0.050 . 1 . . . . A 6 LEU CA . 34392 1 76 . 1 . 1 6 6 LEU CB C 13 40.216 0.050 . 1 . . . . A 6 LEU CB . 34392 1 77 . 1 . 1 6 6 LEU CG C 13 24.546 0.050 . 1 . . . . A 6 LEU CG . 34392 1 78 . 1 . 1 6 6 LEU CD1 C 13 21.724 0.050 . 1 . . . . A 6 LEU CD1 . 34392 1 79 . 1 . 1 6 6 LEU CD2 C 13 22.358 0.050 . 1 . . . . A 6 LEU CD2 . 34392 1 80 . 1 . 1 6 6 LEU N N 15 118.767 0.050 . 1 . . . . A 6 LEU N . 34392 1 81 . 1 . 1 7 7 ILE H H 1 7.114 0.020 . 1 . . . . A 7 ILE H . 34392 1 82 . 1 . 1 7 7 ILE HA H 1 4.340 0.020 . 1 . . . . A 7 ILE HA . 34392 1 83 . 1 . 1 7 7 ILE HB H 1 1.763 0.020 . 1 . . . . A 7 ILE HB . 34392 1 84 . 1 . 1 7 7 ILE HG12 H 1 1.217 0.020 . 2 . . . . A 7 ILE HG12 . 34392 1 85 . 1 . 1 7 7 ILE HG13 H 1 1.532 0.020 . 2 . . . . A 7 ILE HG13 . 34392 1 86 . 1 . 1 7 7 ILE HG21 H 1 0.955 0.020 . 1 . . . . A 7 ILE HG21 . 34392 1 87 . 1 . 1 7 7 ILE HG22 H 1 0.955 0.020 . 1 . . . . A 7 ILE HG22 . 34392 1 88 . 1 . 1 7 7 ILE HG23 H 1 0.955 0.020 . 1 . . . . A 7 ILE HG23 . 34392 1 89 . 1 . 1 7 7 ILE HD11 H 1 0.855 0.020 . 1 . . . . A 7 ILE HD11 . 34392 1 90 . 1 . 1 7 7 ILE HD12 H 1 0.855 0.020 . 1 . . . . A 7 ILE HD12 . 34392 1 91 . 1 . 1 7 7 ILE HD13 H 1 0.855 0.020 . 1 . . . . A 7 ILE HD13 . 34392 1 92 . 1 . 1 7 7 ILE CA C 13 55.723 0.050 . 1 . . . . A 7 ILE CA . 34392 1 93 . 1 . 1 7 7 ILE CB C 13 35.775 0.050 . 1 . . . . A 7 ILE CB . 34392 1 94 . 1 . 1 7 7 ILE CG1 C 13 24.880 0.050 . 1 . . . . A 7 ILE CG1 . 34392 1 95 . 1 . 1 7 7 ILE CG2 C 13 14.581 0.050 . 1 . . . . A 7 ILE CG2 . 34392 1 96 . 1 . 1 7 7 ILE CD1 C 13 10.056 0.050 . 1 . . . . A 7 ILE CD1 . 34392 1 97 . 1 . 1 7 7 ILE N N 15 117.826 0.050 . 1 . . . . A 7 ILE N . 34392 1 98 . 1 . 1 8 8 PRO HA H 1 4.323 0.020 . 1 . . . . A 8 PRO HA . 34392 1 99 . 1 . 1 8 8 PRO HB2 H 1 1.965 0.020 . 2 . . . . A 8 PRO HB2 . 34392 1 100 . 1 . 1 8 8 PRO HB3 H 1 2.143 0.020 . 2 . . . . A 8 PRO HB3 . 34392 1 101 . 1 . 1 8 8 PRO HG2 H 1 1.994 0.020 . 2 . . . . A 8 PRO HG2 . 34392 1 102 . 1 . 1 8 8 PRO HG3 H 1 2.004 0.020 . 2 . . . . A 8 PRO HG3 . 34392 1 103 . 1 . 1 8 8 PRO HD2 H 1 3.688 0.020 . 2 . . . . A 8 PRO HD2 . 34392 1 104 . 1 . 1 8 8 PRO HD3 H 1 3.978 0.020 . 2 . . . . A 8 PRO HD3 . 34392 1 105 . 1 . 1 8 8 PRO CA C 13 62.382 0.050 . 1 . . . . A 8 PRO CA . 34392 1 106 . 1 . 1 8 8 PRO CB C 13 28.971 0.050 . 1 . . . . A 8 PRO CB . 34392 1 107 . 1 . 1 8 8 PRO CG C 13 25.011 0.050 . 1 . . . . A 8 PRO CG . 34392 1 108 . 1 . 1 8 8 PRO CD C 13 48.624 0.050 . 1 . . . . A 8 PRO CD . 34392 1 109 . 1 . 1 9 9 LEU H H 1 7.829 0.020 . 1 . . . . A 9 LEU H . 34392 1 110 . 1 . 1 9 9 LEU HA H 1 3.980 0.020 . 1 . . . . A 9 LEU HA . 34392 1 111 . 1 . 1 9 9 LEU HB2 H 1 1.667 0.020 . 2 . . . . A 9 LEU HB2 . 34392 1 112 . 1 . 1 9 9 LEU HB3 H 1 1.966 0.020 . 2 . . . . A 9 LEU HB3 . 34392 1 113 . 1 . 1 9 9 LEU HG H 1 1.526 0.020 . 1 . . . . A 9 LEU HG . 34392 1 114 . 1 . 1 9 9 LEU HD11 H 1 0.886 0.020 . 1 . . . . A 9 LEU HD11 . 34392 1 115 . 1 . 1 9 9 LEU HD12 H 1 0.886 0.020 . 1 . . . . A 9 LEU HD12 . 34392 1 116 . 1 . 1 9 9 LEU HD13 H 1 0.886 0.020 . 1 . . . . A 9 LEU HD13 . 34392 1 117 . 1 . 1 9 9 LEU HD21 H 1 0.905 0.020 . 1 . . . . A 9 LEU HD21 . 34392 1 118 . 1 . 1 9 9 LEU HD22 H 1 0.905 0.020 . 1 . . . . A 9 LEU HD22 . 34392 1 119 . 1 . 1 9 9 LEU HD23 H 1 0.905 0.020 . 1 . . . . A 9 LEU HD23 . 34392 1 120 . 1 . 1 9 9 LEU CA C 13 54.269 0.050 . 1 . . . . A 9 LEU CA . 34392 1 121 . 1 . 1 9 9 LEU CB C 13 37.928 0.050 . 1 . . . . A 9 LEU CB . 34392 1 122 . 1 . 1 9 9 LEU CG C 13 24.919 0.050 . 1 . . . . A 9 LEU CG . 34392 1 123 . 1 . 1 9 9 LEU CD1 C 13 20.464 0.050 . 1 . . . . A 9 LEU CD1 . 34392 1 124 . 1 . 1 9 9 LEU CD2 C 13 22.580 0.050 . 1 . . . . A 9 LEU CD2 . 34392 1 125 . 1 . 1 9 9 LEU N N 15 111.999 0.050 . 1 . . . . A 9 LEU N . 34392 1 126 . 1 . 1 10 10 ALA H H 1 7.847 0.020 . 1 . . . . A 10 ALA H . 34392 1 127 . 1 . 1 10 10 ALA HA H 1 4.606 0.020 . 1 . . . . A 10 ALA HA . 34392 1 128 . 1 . 1 10 10 ALA HB1 H 1 1.328 0.020 . 1 . . . . A 10 ALA HB1 . 34392 1 129 . 1 . 1 10 10 ALA HB2 H 1 1.328 0.020 . 1 . . . . A 10 ALA HB2 . 34392 1 130 . 1 . 1 10 10 ALA HB3 H 1 1.328 0.020 . 1 . . . . A 10 ALA HB3 . 34392 1 131 . 1 . 1 10 10 ALA CA C 13 48.725 0.050 . 1 . . . . A 10 ALA CA . 34392 1 132 . 1 . 1 10 10 ALA CB C 13 18.807 0.050 . 1 . . . . A 10 ALA CB . 34392 1 133 . 1 . 1 10 10 ALA N N 15 122.166 0.050 . 1 . . . . A 10 ALA N . 34392 1 134 . 1 . 1 11 11 TYR H H 1 8.001 0.020 . 1 . . . . A 11 TYR H . 34392 1 135 . 1 . 1 11 11 TYR HA H 1 5.253 0.020 . 1 . . . . A 11 TYR HA . 34392 1 136 . 1 . 1 11 11 TYR HB2 H 1 2.627 0.020 . 2 . . . . A 11 TYR HB2 . 34392 1 137 . 1 . 1 11 11 TYR HB3 H 1 2.964 0.020 . 2 . . . . A 11 TYR HB3 . 34392 1 138 . 1 . 1 11 11 TYR HD1 H 1 6.772 0.020 . 1 . . . . A 11 TYR HD1 . 34392 1 139 . 1 . 1 11 11 TYR HD2 H 1 6.772 0.020 . 1 . . . . A 11 TYR HD2 . 34392 1 140 . 1 . 1 11 11 TYR HE1 H 1 6.750 0.020 . 1 . . . . A 11 TYR HE1 . 34392 1 141 . 1 . 1 11 11 TYR HE2 H 1 6.750 0.020 . 1 . . . . A 11 TYR HE2 . 34392 1 142 . 1 . 1 11 11 TYR CA C 13 53.421 0.050 . 1 . . . . A 11 TYR CA . 34392 1 143 . 1 . 1 11 11 TYR CB C 13 38.348 0.050 . 1 . . . . A 11 TYR CB . 34392 1 144 . 1 . 1 11 11 TYR N N 15 116.157 0.050 . 1 . . . . A 11 TYR N . 34392 1 145 . 1 . 1 12 12 LYS H H 1 8.994 0.020 . 1 . . . . A 12 LYS H . 34392 1 146 . 1 . 1 12 12 LYS HA H 1 4.746 0.020 . 1 . . . . A 12 LYS HA . 34392 1 147 . 1 . 1 12 12 LYS HB2 H 1 1.730 0.020 . 1 . . . . A 12 LYS HB2 . 34392 1 148 . 1 . 1 12 12 LYS HB3 H 1 1.730 0.020 . 1 . . . . A 12 LYS HB3 . 34392 1 149 . 1 . 1 12 12 LYS HG2 H 1 1.228 0.020 . 2 . . . . A 12 LYS HG2 . 34392 1 150 . 1 . 1 12 12 LYS HG3 H 1 1.417 0.020 . 2 . . . . A 12 LYS HG3 . 34392 1 151 . 1 . 1 12 12 LYS HD2 H 1 1.719 0.020 . 2 . . . . A 12 LYS HD2 . 34392 1 152 . 1 . 1 12 12 LYS HD3 H 1 1.742 0.020 . 2 . . . . A 12 LYS HD3 . 34392 1 153 . 1 . 1 12 12 LYS HE2 H 1 2.957 0.020 . 2 . . . . A 12 LYS HE2 . 34392 1 154 . 1 . 1 12 12 LYS HE3 H 1 3.035 0.020 . 2 . . . . A 12 LYS HE3 . 34392 1 155 . 1 . 1 12 12 LYS CA C 13 51.681 0.050 . 1 . . . . A 12 LYS CA . 34392 1 156 . 1 . 1 12 12 LYS CB C 13 33.818 0.050 . 1 . . . . A 12 LYS CB . 34392 1 157 . 1 . 1 12 12 LYS CG C 13 21.129 0.050 . 1 . . . . A 12 LYS CG . 34392 1 158 . 1 . 1 12 12 LYS CD C 13 26.908 0.050 . 1 . . . . A 12 LYS CD . 34392 1 159 . 1 . 1 12 12 LYS CE C 13 39.679 0.050 . 1 . . . . A 12 LYS CE . 34392 1 160 . 1 . 1 12 12 LYS N N 15 118.311 0.050 . 1 . . . . A 12 LYS N . 34392 1 161 . 1 . 1 13 13 THR H H 1 8.717 0.020 . 1 . . . . A 13 THR H . 34392 1 162 . 1 . 1 13 13 THR HA H 1 4.638 0.020 . 1 . . . . A 13 THR HA . 34392 1 163 . 1 . 1 13 13 THR HB H 1 4.045 0.020 . 1 . . . . A 13 THR HB . 34392 1 164 . 1 . 1 13 13 THR HG21 H 1 1.243 0.020 . 1 . . . . A 13 THR HG21 . 34392 1 165 . 1 . 1 13 13 THR HG22 H 1 1.243 0.020 . 1 . . . . A 13 THR HG22 . 34392 1 166 . 1 . 1 13 13 THR HG23 H 1 1.243 0.020 . 1 . . . . A 13 THR HG23 . 34392 1 167 . 1 . 1 13 13 THR CA C 13 60.669 0.050 . 1 . . . . A 13 THR CA . 34392 1 168 . 1 . 1 13 13 THR CB C 13 66.274 0.050 . 1 . . . . A 13 THR CB . 34392 1 169 . 1 . 1 13 13 THR CG2 C 13 19.444 0.050 . 1 . . . . A 13 THR CG2 . 34392 1 170 . 1 . 1 13 13 THR N N 15 120.625 0.050 . 1 . . . . A 13 THR N . 34392 1 171 . 1 . 1 14 14 CYS H H 1 9.160 0.020 . 1 . . . . A 14 CYS H . 34392 1 172 . 1 . 1 14 14 CYS HA H 1 4.946 0.020 . 1 . . . . A 14 CYS HA . 34392 1 173 . 1 . 1 14 14 CYS HB2 H 1 2.802 0.020 . 2 . . . . A 14 CYS HB2 . 34392 1 174 . 1 . 1 14 14 CYS HB3 H 1 3.504 0.020 . 2 . . . . A 14 CYS HB3 . 34392 1 175 . 1 . 1 14 14 CYS CA C 13 49.431 0.050 . 1 . . . . A 14 CYS CA . 34392 1 176 . 1 . 1 14 14 CYS CB C 13 34.839 0.050 . 1 . . . . A 14 CYS CB . 34392 1 177 . 1 . 1 14 14 CYS N N 15 127.666 0.050 . 1 . . . . A 14 CYS N . 34392 1 178 . 1 . 1 15 15 PRO HA H 1 4.590 0.020 . 1 . . . . A 15 PRO HA . 34392 1 179 . 1 . 1 15 15 PRO HB2 H 1 1.964 0.020 . 2 . . . . A 15 PRO HB2 . 34392 1 180 . 1 . 1 15 15 PRO HB3 H 1 2.377 0.020 . 2 . . . . A 15 PRO HB3 . 34392 1 181 . 1 . 1 15 15 PRO HG2 H 1 1.875 0.020 . 2 . . . . A 15 PRO HG2 . 34392 1 182 . 1 . 1 15 15 PRO HG3 H 1 2.160 0.020 . 2 . . . . A 15 PRO HG3 . 34392 1 183 . 1 . 1 15 15 PRO HD2 H 1 3.441 0.020 . 2 . . . . A 15 PRO HD2 . 34392 1 184 . 1 . 1 15 15 PRO HD3 H 1 3.943 0.020 . 2 . . . . A 15 PRO HD3 . 34392 1 185 . 1 . 1 15 15 PRO CA C 13 59.693 0.050 . 1 . . . . A 15 PRO CA . 34392 1 186 . 1 . 1 15 15 PRO CB C 13 30.013 0.050 . 1 . . . . A 15 PRO CB . 34392 1 187 . 1 . 1 15 15 PRO CG C 13 24.845 0.050 . 1 . . . . A 15 PRO CG . 34392 1 188 . 1 . 1 15 15 PRO CD C 13 48.265 0.050 . 1 . . . . A 15 PRO CD . 34392 1 189 . 1 . 1 16 16 ALA H H 1 8.408 0.020 . 1 . . . . A 16 ALA H . 34392 1 190 . 1 . 1 16 16 ALA HA H 1 4.093 0.020 . 1 . . . . A 16 ALA HA . 34392 1 191 . 1 . 1 16 16 ALA HB1 H 1 1.361 0.020 . 1 . . . . A 16 ALA HB1 . 34392 1 192 . 1 . 1 16 16 ALA HB2 H 1 1.361 0.020 . 1 . . . . A 16 ALA HB2 . 34392 1 193 . 1 . 1 16 16 ALA HB3 H 1 1.361 0.020 . 1 . . . . A 16 ALA HB3 . 34392 1 194 . 1 . 1 16 16 ALA CA C 13 51.255 0.050 . 1 . . . . A 16 ALA CA . 34392 1 195 . 1 . 1 16 16 ALA CB C 13 15.572 0.050 . 1 . . . . A 16 ALA CB . 34392 1 196 . 1 . 1 16 16 ALA N N 15 123.388 0.050 . 1 . . . . A 16 ALA N . 34392 1 197 . 1 . 1 17 17 GLY H H 1 8.755 0.020 . 1 . . . . A 17 GLY H . 34392 1 198 . 1 . 1 17 17 GLY HA2 H 1 3.659 0.020 . 2 . . . . A 17 GLY HA2 . 34392 1 199 . 1 . 1 17 17 GLY HA3 H 1 4.244 0.020 . 2 . . . . A 17 GLY HA3 . 34392 1 200 . 1 . 1 17 17 GLY CA C 13 42.444 0.050 . 1 . . . . A 17 GLY CA . 34392 1 201 . 1 . 1 17 17 GLY N N 15 109.993 0.050 . 1 . . . . A 17 GLY N . 34392 1 202 . 1 . 1 18 18 LYS H H 1 7.591 0.020 . 1 . . . . A 18 LYS H . 34392 1 203 . 1 . 1 18 18 LYS HA H 1 4.282 0.020 . 1 . . . . A 18 LYS HA . 34392 1 204 . 1 . 1 18 18 LYS HB2 H 1 1.341 0.020 . 2 . . . . A 18 LYS HB2 . 34392 1 205 . 1 . 1 18 18 LYS HB3 H 1 1.898 0.020 . 2 . . . . A 18 LYS HB3 . 34392 1 206 . 1 . 1 18 18 LYS HG2 H 1 1.064 0.020 . 2 . . . . A 18 LYS HG2 . 34392 1 207 . 1 . 1 18 18 LYS HG3 H 1 1.333 0.020 . 2 . . . . A 18 LYS HG3 . 34392 1 208 . 1 . 1 18 18 LYS HD2 H 1 1.378 0.020 . 1 . . . . A 18 LYS HD2 . 34392 1 209 . 1 . 1 18 18 LYS HD3 H 1 1.378 0.020 . 1 . . . . A 18 LYS HD3 . 34392 1 210 . 1 . 1 18 18 LYS HE2 H 1 2.941 0.020 . 1 . . . . A 18 LYS HE2 . 34392 1 211 . 1 . 1 18 18 LYS HE3 H 1 2.941 0.020 . 1 . . . . A 18 LYS HE3 . 34392 1 212 . 1 . 1 18 18 LYS CA C 13 53.068 0.050 . 1 . . . . A 18 LYS CA . 34392 1 213 . 1 . 1 18 18 LYS CB C 13 29.699 0.050 . 1 . . . . A 18 LYS CB . 34392 1 214 . 1 . 1 18 18 LYS CG C 13 23.304 0.050 . 1 . . . . A 18 LYS CG . 34392 1 215 . 1 . 1 18 18 LYS CD C 13 27.267 0.050 . 1 . . . . A 18 LYS CD . 34392 1 216 . 1 . 1 18 18 LYS CE C 13 39.977 0.050 . 1 . . . . A 18 LYS CE . 34392 1 217 . 1 . 1 18 18 LYS N N 15 120.332 0.050 . 1 . . . . A 18 LYS N . 34392 1 218 . 1 . 1 19 19 ASN H H 1 7.847 0.020 . 1 . . . . A 19 ASN H . 34392 1 219 . 1 . 1 19 19 ASN HA H 1 4.890 0.020 . 1 . . . . A 19 ASN HA . 34392 1 220 . 1 . 1 19 19 ASN HB2 H 1 2.619 0.020 . 2 . . . . A 19 ASN HB2 . 34392 1 221 . 1 . 1 19 19 ASN HB3 H 1 2.968 0.020 . 2 . . . . A 19 ASN HB3 . 34392 1 222 . 1 . 1 19 19 ASN HD21 H 1 6.921 0.020 . 1 . . . . A 19 ASN HD21 . 34392 1 223 . 1 . 1 19 19 ASN HD22 H 1 7.458 0.020 . 1 . . . . A 19 ASN HD22 . 34392 1 224 . 1 . 1 19 19 ASN CA C 13 50.596 0.050 . 1 . . . . A 19 ASN CA . 34392 1 225 . 1 . 1 19 19 ASN CB C 13 37.107 0.050 . 1 . . . . A 19 ASN CB . 34392 1 226 . 1 . 1 19 19 ASN N N 15 118.788 0.050 . 1 . . . . A 19 ASN N . 34392 1 227 . 1 . 1 20 20 LEU H H 1 8.157 0.020 . 1 . . . . A 20 LEU H . 34392 1 228 . 1 . 1 20 20 LEU HA H 1 4.780 0.020 . 1 . . . . A 20 LEU HA . 34392 1 229 . 1 . 1 20 20 LEU HB2 H 1 1.409 0.020 . 2 . . . . A 20 LEU HB2 . 34392 1 230 . 1 . 1 20 20 LEU HB3 H 1 1.586 0.020 . 2 . . . . A 20 LEU HB3 . 34392 1 231 . 1 . 1 20 20 LEU HG H 1 1.494 0.020 . 1 . . . . A 20 LEU HG . 34392 1 232 . 1 . 1 20 20 LEU HD11 H 1 0.723 0.020 . 1 . . . . A 20 LEU HD11 . 34392 1 233 . 1 . 1 20 20 LEU HD12 H 1 0.723 0.020 . 1 . . . . A 20 LEU HD12 . 34392 1 234 . 1 . 1 20 20 LEU HD13 H 1 0.723 0.020 . 1 . . . . A 20 LEU HD13 . 34392 1 235 . 1 . 1 20 20 LEU HD21 H 1 0.842 0.020 . 1 . . . . A 20 LEU HD21 . 34392 1 236 . 1 . 1 20 20 LEU HD22 H 1 0.842 0.020 . 1 . . . . A 20 LEU HD22 . 34392 1 237 . 1 . 1 20 20 LEU HD23 H 1 0.842 0.020 . 1 . . . . A 20 LEU HD23 . 34392 1 238 . 1 . 1 20 20 LEU CA C 13 51.721 0.050 . 1 . . . . A 20 LEU CA . 34392 1 239 . 1 . 1 20 20 LEU CB C 13 43.883 0.050 . 1 . . . . A 20 LEU CB . 34392 1 240 . 1 . 1 20 20 LEU CG C 13 24.160 0.050 . 1 . . . . A 20 LEU CG . 34392 1 241 . 1 . 1 20 20 LEU CD1 C 13 23.976 0.050 . 1 . . . . A 20 LEU CD1 . 34392 1 242 . 1 . 1 20 20 LEU CD2 C 13 21.719 0.050 . 1 . . . . A 20 LEU CD2 . 34392 1 243 . 1 . 1 20 20 LEU N N 15 119.295 0.050 . 1 . . . . A 20 LEU N . 34392 1 244 . 1 . 1 21 21 CYS H H 1 8.964 0.020 . 1 . . . . A 21 CYS H . 34392 1 245 . 1 . 1 21 21 CYS HA H 1 6.090 0.020 . 1 . . . . A 21 CYS HA . 34392 1 246 . 1 . 1 21 21 CYS HB2 H 1 2.960 0.020 . 2 . . . . A 21 CYS HB2 . 34392 1 247 . 1 . 1 21 21 CYS HB3 H 1 3.041 0.020 . 2 . . . . A 21 CYS HB3 . 34392 1 248 . 1 . 1 21 21 CYS CA C 13 49.316 0.050 . 1 . . . . A 21 CYS CA . 34392 1 249 . 1 . 1 21 21 CYS CB C 13 36.279 0.050 . 1 . . . . A 21 CYS CB . 34392 1 250 . 1 . 1 21 21 CYS N N 15 115.481 0.050 . 1 . . . . A 21 CYS N . 34392 1 251 . 1 . 1 22 22 TYR H H 1 9.070 0.020 . 1 . . . . A 22 TYR H . 34392 1 252 . 1 . 1 22 22 TYR HA H 1 6.089 0.020 . 1 . . . . A 22 TYR HA . 34392 1 253 . 1 . 1 22 22 TYR HB2 H 1 3.006 0.020 . 2 . . . . A 22 TYR HB2 . 34392 1 254 . 1 . 1 22 22 TYR HB3 H 1 3.119 0.020 . 2 . . . . A 22 TYR HB3 . 34392 1 255 . 1 . 1 22 22 TYR HD1 H 1 6.670 0.020 . 1 . . . . A 22 TYR HD1 . 34392 1 256 . 1 . 1 22 22 TYR HD2 H 1 6.670 0.020 . 1 . . . . A 22 TYR HD2 . 34392 1 257 . 1 . 1 22 22 TYR HE1 H 1 6.594 0.020 . 1 . . . . A 22 TYR HE1 . 34392 1 258 . 1 . 1 22 22 TYR HE2 H 1 6.594 0.020 . 1 . . . . A 22 TYR HE2 . 34392 1 259 . 1 . 1 22 22 TYR CA C 13 53.614 0.050 . 1 . . . . A 22 TYR CA . 34392 1 260 . 1 . 1 22 22 TYR CB C 13 41.745 0.050 . 1 . . . . A 22 TYR CB . 34392 1 261 . 1 . 1 22 22 TYR N N 15 115.829 0.050 . 1 . . . . A 22 TYR N . 34392 1 262 . 1 . 1 23 23 LYS H H 1 8.981 0.020 . 1 . . . . A 23 LYS H . 34392 1 263 . 1 . 1 23 23 LYS HA H 1 4.732 0.020 . 1 . . . . A 23 LYS HA . 34392 1 264 . 1 . 1 23 23 LYS HB2 H 1 1.547 0.020 . 2 . . . . A 23 LYS HB2 . 34392 1 265 . 1 . 1 23 23 LYS HB3 H 1 1.639 0.020 . 2 . . . . A 23 LYS HB3 . 34392 1 266 . 1 . 1 23 23 LYS HG2 H 1 1.408 0.020 . 2 . . . . A 23 LYS HG2 . 34392 1 267 . 1 . 1 23 23 LYS HG3 H 1 1.446 0.020 . 2 . . . . A 23 LYS HG3 . 34392 1 268 . 1 . 1 23 23 LYS HD2 H 1 1.662 0.020 . 2 . . . . A 23 LYS HD2 . 34392 1 269 . 1 . 1 23 23 LYS HD3 H 1 1.741 0.020 . 2 . . . . A 23 LYS HD3 . 34392 1 270 . 1 . 1 23 23 LYS HE2 H 1 2.718 0.020 . 1 . . . . A 23 LYS HE2 . 34392 1 271 . 1 . 1 23 23 LYS HE3 H 1 2.718 0.020 . 1 . . . . A 23 LYS HE3 . 34392 1 272 . 1 . 1 23 23 LYS HZ1 H 1 7.748 0.020 . 1 . . . . A 23 LYS HZ1 . 34392 1 273 . 1 . 1 23 23 LYS HZ2 H 1 7.748 0.020 . 1 . . . . A 23 LYS HZ2 . 34392 1 274 . 1 . 1 23 23 LYS HZ3 H 1 7.748 0.020 . 1 . . . . A 23 LYS HZ3 . 34392 1 275 . 1 . 1 23 23 LYS CA C 13 52.809 0.050 . 1 . . . . A 23 LYS CA . 34392 1 276 . 1 . 1 23 23 LYS CB C 13 34.219 0.050 . 1 . . . . A 23 LYS CB . 34392 1 277 . 1 . 1 23 23 LYS CG C 13 22.177 0.050 . 1 . . . . A 23 LYS CG . 34392 1 278 . 1 . 1 23 23 LYS CD C 13 27.389 0.050 . 1 . . . . A 23 LYS CD . 34392 1 279 . 1 . 1 23 23 LYS CE C 13 39.447 0.050 . 1 . . . . A 23 LYS CE . 34392 1 280 . 1 . 1 23 23 LYS N N 15 120.148 0.050 . 1 . . . . A 23 LYS N . 34392 1 281 . 1 . 1 24 24 MET H H 1 8.127 0.020 . 1 . . . . A 24 MET H . 34392 1 282 . 1 . 1 24 24 MET HA H 1 5.102 0.020 . 1 . . . . A 24 MET HA . 34392 1 283 . 1 . 1 24 24 MET HB2 H 1 1.667 0.020 . 2 . . . . A 24 MET HB2 . 34392 1 284 . 1 . 1 24 24 MET HB3 H 1 1.765 0.020 . 2 . . . . A 24 MET HB3 . 34392 1 285 . 1 . 1 24 24 MET HG2 H 1 1.510 0.020 . 2 . . . . A 24 MET HG2 . 34392 1 286 . 1 . 1 24 24 MET HG3 H 1 1.651 0.020 . 2 . . . . A 24 MET HG3 . 34392 1 287 . 1 . 1 24 24 MET CA C 13 51.325 0.050 . 1 . . . . A 24 MET CA . 34392 1 288 . 1 . 1 24 24 MET CB C 13 36.002 0.050 . 1 . . . . A 24 MET CB . 34392 1 289 . 1 . 1 24 24 MET CG C 13 30.009 0.050 . 1 . . . . A 24 MET CG . 34392 1 290 . 1 . 1 24 24 MET N N 15 122.913 0.050 . 1 . . . . A 24 MET N . 34392 1 291 . 1 . 1 25 25 PHE H H 1 9.335 0.020 . 1 . . . . A 25 PHE H . 34392 1 292 . 1 . 1 25 25 PHE HA H 1 4.918 0.020 . 1 . . . . A 25 PHE HA . 34392 1 293 . 1 . 1 25 25 PHE HB2 H 1 2.626 0.020 . 2 . . . . A 25 PHE HB2 . 34392 1 294 . 1 . 1 25 25 PHE HB3 H 1 3.059 0.020 . 2 . . . . A 25 PHE HB3 . 34392 1 295 . 1 . 1 25 25 PHE HD1 H 1 6.943 0.020 . 1 . . . . A 25 PHE HD1 . 34392 1 296 . 1 . 1 25 25 PHE HD2 H 1 6.943 0.020 . 1 . . . . A 25 PHE HD2 . 34392 1 297 . 1 . 1 25 25 PHE HE1 H 1 6.986 0.020 . 1 . . . . A 25 PHE HE1 . 34392 1 298 . 1 . 1 25 25 PHE HE2 H 1 6.986 0.020 . 1 . . . . A 25 PHE HE2 . 34392 1 299 . 1 . 1 25 25 PHE HZ H 1 7.171 0.020 . 1 . . . . A 25 PHE HZ . 34392 1 300 . 1 . 1 25 25 PHE CA C 13 53.752 0.050 . 1 . . . . A 25 PHE CA . 34392 1 301 . 1 . 1 25 25 PHE CB C 13 39.504 0.050 . 1 . . . . A 25 PHE CB . 34392 1 302 . 1 . 1 25 25 PHE N N 15 124.635 0.050 . 1 . . . . A 25 PHE N . 34392 1 303 . 1 . 1 26 26 MET H H 1 9.221 0.020 . 1 . . . . A 26 MET H . 34392 1 304 . 1 . 1 26 26 MET HA H 1 5.146 0.020 . 1 . . . . A 26 MET HA . 34392 1 305 . 1 . 1 26 26 MET HB2 H 1 1.954 0.020 . 2 . . . . A 26 MET HB2 . 34392 1 306 . 1 . 1 26 26 MET HB3 H 1 2.310 0.020 . 2 . . . . A 26 MET HB3 . 34392 1 307 . 1 . 1 26 26 MET HG2 H 1 2.603 0.020 . 2 . . . . A 26 MET HG2 . 34392 1 308 . 1 . 1 26 26 MET HG3 H 1 2.755 0.020 . 2 . . . . A 26 MET HG3 . 34392 1 309 . 1 . 1 26 26 MET CA C 13 51.650 0.050 . 1 . . . . A 26 MET CA . 34392 1 310 . 1 . 1 26 26 MET CB C 13 29.539 0.050 . 1 . . . . A 26 MET CB . 34392 1 311 . 1 . 1 26 26 MET CG C 13 29.746 0.050 . 1 . . . . A 26 MET CG . 34392 1 312 . 1 . 1 26 26 MET N N 15 119.697 0.050 . 1 . . . . A 26 MET N . 34392 1 313 . 1 . 1 27 27 VAL H H 1 8.313 0.020 . 1 . . . . A 27 VAL H . 34392 1 314 . 1 . 1 27 27 VAL HA H 1 3.637 0.020 . 1 . . . . A 27 VAL HA . 34392 1 315 . 1 . 1 27 27 VAL HB H 1 2.079 0.020 . 1 . . . . A 27 VAL HB . 34392 1 316 . 1 . 1 27 27 VAL HG11 H 1 0.960 0.020 . 1 . . . . A 27 VAL HG11 . 34392 1 317 . 1 . 1 27 27 VAL HG12 H 1 0.960 0.020 . 1 . . . . A 27 VAL HG12 . 34392 1 318 . 1 . 1 27 27 VAL HG13 H 1 0.960 0.020 . 1 . . . . A 27 VAL HG13 . 34392 1 319 . 1 . 1 27 27 VAL HG21 H 1 0.960 0.020 . 1 . . . . A 27 VAL HG21 . 34392 1 320 . 1 . 1 27 27 VAL HG22 H 1 0.960 0.020 . 1 . . . . A 27 VAL HG22 . 34392 1 321 . 1 . 1 27 27 VAL HG23 H 1 0.960 0.020 . 1 . . . . A 27 VAL HG23 . 34392 1 322 . 1 . 1 27 27 VAL CA C 13 63.124 0.050 . 1 . . . . A 27 VAL CA . 34392 1 323 . 1 . 1 27 27 VAL CB C 13 29.174 0.050 . 1 . . . . A 27 VAL CB . 34392 1 324 . 1 . 1 27 27 VAL CG1 C 13 18.650 0.050 . 1 . . . . A 27 VAL CG1 . 34392 1 325 . 1 . 1 27 27 VAL CG2 C 13 19.362 0.050 . 1 . . . . A 27 VAL CG2 . 34392 1 326 . 1 . 1 27 27 VAL N N 15 122.541 0.050 . 1 . . . . A 27 VAL N . 34392 1 327 . 1 . 1 28 28 SER H H 1 7.884 0.020 . 1 . . . . A 28 SER H . 34392 1 328 . 1 . 1 28 28 SER HA H 1 4.284 0.020 . 1 . . . . A 28 SER HA . 34392 1 329 . 1 . 1 28 28 SER HB2 H 1 3.839 0.020 . 2 . . . . A 28 SER HB2 . 34392 1 330 . 1 . 1 28 28 SER HB3 H 1 4.029 0.020 . 2 . . . . A 28 SER HB3 . 34392 1 331 . 1 . 1 28 28 SER CA C 13 56.447 0.050 . 1 . . . . A 28 SER CA . 34392 1 332 . 1 . 1 28 28 SER CB C 13 60.737 0.050 . 1 . . . . A 28 SER CB . 34392 1 333 . 1 . 1 28 28 SER N N 15 112.006 0.050 . 1 . . . . A 28 SER N . 34392 1 334 . 1 . 1 29 29 ASN H H 1 7.890 0.020 . 1 . . . . A 29 ASN H . 34392 1 335 . 1 . 1 29 29 ASN HA H 1 4.789 0.020 . 1 . . . . A 29 ASN HA . 34392 1 336 . 1 . 1 29 29 ASN HB2 H 1 2.715 0.020 . 2 . . . . A 29 ASN HB2 . 34392 1 337 . 1 . 1 29 29 ASN HB3 H 1 2.985 0.020 . 2 . . . . A 29 ASN HB3 . 34392 1 338 . 1 . 1 29 29 ASN HD21 H 1 6.764 0.020 . 1 . . . . A 29 ASN HD21 . 34392 1 339 . 1 . 1 29 29 ASN HD22 H 1 7.620 0.020 . 1 . . . . A 29 ASN HD22 . 34392 1 340 . 1 . 1 29 29 ASN CA C 13 50.815 0.050 . 1 . . . . A 29 ASN CA . 34392 1 341 . 1 . 1 29 29 ASN CB C 13 36.021 0.050 . 1 . . . . A 29 ASN CB . 34392 1 342 . 1 . 1 29 29 ASN N N 15 119.810 0.050 . 1 . . . . A 29 ASN N . 34392 1 343 . 1 . 1 30 30 LYS H H 1 8.604 0.020 . 1 . . . . A 30 LYS H . 34392 1 344 . 1 . 1 30 30 LYS HA H 1 4.022 0.020 . 1 . . . . A 30 LYS HA . 34392 1 345 . 1 . 1 30 30 LYS HB2 H 1 1.621 0.020 . 2 . . . . A 30 LYS HB2 . 34392 1 346 . 1 . 1 30 30 LYS HB3 H 1 1.735 0.020 . 2 . . . . A 30 LYS HB3 . 34392 1 347 . 1 . 1 30 30 LYS HG2 H 1 1.304 0.020 . 2 . . . . A 30 LYS HG2 . 34392 1 348 . 1 . 1 30 30 LYS HG3 H 1 1.333 0.020 . 2 . . . . A 30 LYS HG3 . 34392 1 349 . 1 . 1 30 30 LYS HD2 H 1 1.570 0.020 . 1 . . . . A 30 LYS HD2 . 34392 1 350 . 1 . 1 30 30 LYS HD3 H 1 1.570 0.020 . 1 . . . . A 30 LYS HD3 . 34392 1 351 . 1 . 1 30 30 LYS HE2 H 1 2.942 0.020 . 1 . . . . A 30 LYS HE2 . 34392 1 352 . 1 . 1 30 30 LYS HE3 H 1 2.942 0.020 . 1 . . . . A 30 LYS HE3 . 34392 1 353 . 1 . 1 30 30 LYS CA C 13 55.416 0.050 . 1 . . . . A 30 LYS CA . 34392 1 354 . 1 . 1 30 30 LYS CB C 13 29.788 0.050 . 1 . . . . A 30 LYS CB . 34392 1 355 . 1 . 1 30 30 LYS CG C 13 22.354 0.050 . 1 . . . . A 30 LYS CG . 34392 1 356 . 1 . 1 30 30 LYS CD C 13 26.799 0.050 . 1 . . . . A 30 LYS CD . 34392 1 357 . 1 . 1 30 30 LYS CE C 13 39.535 0.050 . 1 . . . . A 30 LYS CE . 34392 1 358 . 1 . 1 30 30 LYS N N 15 121.825 0.050 . 1 . . . . A 30 LYS N . 34392 1 359 . 1 . 1 31 31 THR H H 1 8.007 0.020 . 1 . . . . A 31 THR H . 34392 1 360 . 1 . 1 31 31 THR HA H 1 4.284 0.020 . 1 . . . . A 31 THR HA . 34392 1 361 . 1 . 1 31 31 THR HB H 1 4.366 0.020 . 1 . . . . A 31 THR HB . 34392 1 362 . 1 . 1 31 31 THR HG21 H 1 1.145 0.020 . 1 . . . . A 31 THR HG21 . 34392 1 363 . 1 . 1 31 31 THR HG22 H 1 1.145 0.020 . 1 . . . . A 31 THR HG22 . 34392 1 364 . 1 . 1 31 31 THR HG23 H 1 1.145 0.020 . 1 . . . . A 31 THR HG23 . 34392 1 365 . 1 . 1 31 31 THR CA C 13 60.216 0.050 . 1 . . . . A 31 THR CA . 34392 1 366 . 1 . 1 31 31 THR CB C 13 67.099 0.050 . 1 . . . . A 31 THR CB . 34392 1 367 . 1 . 1 31 31 THR CG2 C 13 19.452 0.050 . 1 . . . . A 31 THR CG2 . 34392 1 368 . 1 . 1 31 31 THR N N 15 108.910 0.050 . 1 . . . . A 31 THR N . 34392 1 369 . 1 . 1 32 32 VAL H H 1 7.330 0.020 . 1 . . . . A 32 VAL H . 34392 1 370 . 1 . 1 32 32 VAL HA H 1 4.644 0.020 . 1 . . . . A 32 VAL HA . 34392 1 371 . 1 . 1 32 32 VAL HB H 1 1.989 0.020 . 1 . . . . A 32 VAL HB . 34392 1 372 . 1 . 1 32 32 VAL HG11 H 1 0.929 0.020 . 1 . . . . A 32 VAL HG11 . 34392 1 373 . 1 . 1 32 32 VAL HG12 H 1 0.929 0.020 . 1 . . . . A 32 VAL HG12 . 34392 1 374 . 1 . 1 32 32 VAL HG13 H 1 0.929 0.020 . 1 . . . . A 32 VAL HG13 . 34392 1 375 . 1 . 1 32 32 VAL HG21 H 1 0.935 0.020 . 1 . . . . A 32 VAL HG21 . 34392 1 376 . 1 . 1 32 32 VAL HG22 H 1 0.935 0.020 . 1 . . . . A 32 VAL HG22 . 34392 1 377 . 1 . 1 32 32 VAL HG23 H 1 0.935 0.020 . 1 . . . . A 32 VAL HG23 . 34392 1 378 . 1 . 1 32 32 VAL CA C 13 56.903 0.050 . 1 . . . . A 32 VAL CA . 34392 1 379 . 1 . 1 32 32 VAL CB C 13 31.520 0.050 . 1 . . . . A 32 VAL CB . 34392 1 380 . 1 . 1 32 32 VAL CG1 C 13 18.262 0.050 . 1 . . . . A 32 VAL CG1 . 34392 1 381 . 1 . 1 32 32 VAL CG2 C 13 18.203 0.050 . 1 . . . . A 32 VAL CG2 . 34392 1 382 . 1 . 1 32 32 VAL N N 15 122.357 0.050 . 1 . . . . A 32 VAL N . 34392 1 383 . 1 . 1 33 33 PRO HA H 1 4.194 0.020 . 1 . . . . A 33 PRO HA . 34392 1 384 . 1 . 1 33 33 PRO HB2 H 1 1.408 0.020 . 2 . . . . A 33 PRO HB2 . 34392 1 385 . 1 . 1 33 33 PRO HB3 H 1 1.542 0.020 . 2 . . . . A 33 PRO HB3 . 34392 1 386 . 1 . 1 33 33 PRO HG2 H 1 1.701 0.020 . 2 . . . . A 33 PRO HG2 . 34392 1 387 . 1 . 1 33 33 PRO HG3 H 1 1.916 0.020 . 2 . . . . A 33 PRO HG3 . 34392 1 388 . 1 . 1 33 33 PRO HD2 H 1 3.837 0.020 . 2 . . . . A 33 PRO HD2 . 34392 1 389 . 1 . 1 33 33 PRO HD3 H 1 3.939 0.020 . 2 . . . . A 33 PRO HD3 . 34392 1 390 . 1 . 1 33 33 PRO CA C 13 60.282 0.050 . 1 . . . . A 33 PRO CA . 34392 1 391 . 1 . 1 33 33 PRO CB C 13 29.386 0.050 . 1 . . . . A 33 PRO CB . 34392 1 392 . 1 . 1 33 33 PRO CG C 13 24.469 0.050 . 1 . . . . A 33 PRO CG . 34392 1 393 . 1 . 1 33 33 PRO CD C 13 48.326 0.050 . 1 . . . . A 33 PRO CD . 34392 1 394 . 1 . 1 34 34 VAL H H 1 8.737 0.020 . 1 . . . . A 34 VAL H . 34392 1 395 . 1 . 1 34 34 VAL HA H 1 4.296 0.020 . 1 . . . . A 34 VAL HA . 34392 1 396 . 1 . 1 34 34 VAL HB H 1 2.146 0.020 . 1 . . . . A 34 VAL HB . 34392 1 397 . 1 . 1 34 34 VAL HG11 H 1 0.899 0.020 . 1 . . . . A 34 VAL HG11 . 34392 1 398 . 1 . 1 34 34 VAL HG12 H 1 0.899 0.020 . 1 . . . . A 34 VAL HG12 . 34392 1 399 . 1 . 1 34 34 VAL HG13 H 1 0.899 0.020 . 1 . . . . A 34 VAL HG13 . 34392 1 400 . 1 . 1 34 34 VAL HG21 H 1 1.006 0.020 . 1 . . . . A 34 VAL HG21 . 34392 1 401 . 1 . 1 34 34 VAL HG22 H 1 1.006 0.020 . 1 . . . . A 34 VAL HG22 . 34392 1 402 . 1 . 1 34 34 VAL HG23 H 1 1.006 0.020 . 1 . . . . A 34 VAL HG23 . 34392 1 403 . 1 . 1 34 34 VAL CA C 13 59.393 0.050 . 1 . . . . A 34 VAL CA . 34392 1 404 . 1 . 1 34 34 VAL CB C 13 30.570 0.050 . 1 . . . . A 34 VAL CB . 34392 1 405 . 1 . 1 34 34 VAL CG1 C 13 17.928 0.050 . 1 . . . . A 34 VAL CG1 . 34392 1 406 . 1 . 1 34 34 VAL CG2 C 13 19.446 0.050 . 1 . . . . A 34 VAL CG2 . 34392 1 407 . 1 . 1 34 34 VAL N N 15 115.043 0.050 . 1 . . . . A 34 VAL N . 34392 1 408 . 1 . 1 35 35 LYS H H 1 7.288 0.020 . 1 . . . . A 35 LYS H . 34392 1 409 . 1 . 1 35 35 LYS HA H 1 4.525 0.020 . 1 . . . . A 35 LYS HA . 34392 1 410 . 1 . 1 35 35 LYS HB2 H 1 1.669 0.020 . 2 . . . . A 35 LYS HB2 . 34392 1 411 . 1 . 1 35 35 LYS HB3 H 1 1.981 0.020 . 2 . . . . A 35 LYS HB3 . 34392 1 412 . 1 . 1 35 35 LYS HG2 H 1 1.514 0.020 . 2 . . . . A 35 LYS HG2 . 34392 1 413 . 1 . 1 35 35 LYS HG3 H 1 1.568 0.020 . 2 . . . . A 35 LYS HG3 . 34392 1 414 . 1 . 1 35 35 LYS HD2 H 1 1.787 0.020 . 2 . . . . A 35 LYS HD2 . 34392 1 415 . 1 . 1 35 35 LYS HD3 H 1 1.853 0.020 . 2 . . . . A 35 LYS HD3 . 34392 1 416 . 1 . 1 35 35 LYS HE2 H 1 3.021 0.020 . 1 . . . . A 35 LYS HE2 . 34392 1 417 . 1 . 1 35 35 LYS HE3 H 1 3.021 0.020 . 1 . . . . A 35 LYS HE3 . 34392 1 418 . 1 . 1 35 35 LYS CA C 13 53.754 0.050 . 1 . . . . A 35 LYS CA . 34392 1 419 . 1 . 1 35 35 LYS CB C 13 36.065 0.050 . 1 . . . . A 35 LYS CB . 34392 1 420 . 1 . 1 35 35 LYS CG C 13 23.940 0.050 . 1 . . . . A 35 LYS CG . 34392 1 421 . 1 . 1 35 35 LYS CD C 13 27.149 0.050 . 1 . . . . A 35 LYS CD . 34392 1 422 . 1 . 1 35 35 LYS CE C 13 39.887 0.050 . 1 . . . . A 35 LYS CE . 34392 1 423 . 1 . 1 35 35 LYS N N 15 116.982 0.050 . 1 . . . . A 35 LYS N . 34392 1 424 . 1 . 1 36 36 ARG H H 1 8.197 0.020 . 1 . . . . A 36 ARG H . 34392 1 425 . 1 . 1 36 36 ARG HA H 1 4.356 0.020 . 1 . . . . A 36 ARG HA . 34392 1 426 . 1 . 1 36 36 ARG HB2 H 1 1.115 0.020 . 2 . . . . A 36 ARG HB2 . 34392 1 427 . 1 . 1 36 36 ARG HB3 H 1 1.461 0.020 . 2 . . . . A 36 ARG HB3 . 34392 1 428 . 1 . 1 36 36 ARG HG2 H 1 1.382 0.020 . 1 . . . . A 36 ARG HG2 . 34392 1 429 . 1 . 1 36 36 ARG HG3 H 1 1.382 0.020 . 1 . . . . A 36 ARG HG3 . 34392 1 430 . 1 . 1 36 36 ARG HD2 H 1 2.850 0.020 . 2 . . . . A 36 ARG HD2 . 34392 1 431 . 1 . 1 36 36 ARG HD3 H 1 2.932 0.020 . 2 . . . . A 36 ARG HD3 . 34392 1 432 . 1 . 1 36 36 ARG HE H 1 8.056 0.020 . 1 . . . . A 36 ARG HE . 34392 1 433 . 1 . 1 36 36 ARG CA C 13 53.285 0.050 . 1 . . . . A 36 ARG CA . 34392 1 434 . 1 . 1 36 36 ARG CB C 13 33.947 0.050 . 1 . . . . A 36 ARG CB . 34392 1 435 . 1 . 1 36 36 ARG CG C 13 33.371 0.050 . 1 . . . . A 36 ARG CG . 34392 1 436 . 1 . 1 36 36 ARG CD C 13 41.883 0.050 . 1 . . . . A 36 ARG CD . 34392 1 437 . 1 . 1 36 36 ARG N N 15 121.775 0.050 . 1 . . . . A 36 ARG N . 34392 1 438 . 1 . 1 37 37 GLY H H 1 6.716 0.020 . 1 . . . . A 37 GLY H . 34392 1 439 . 1 . 1 37 37 GLY HA2 H 1 3.934 0.020 . 2 . . . . A 37 GLY HA2 . 34392 1 440 . 1 . 1 37 37 GLY HA3 H 1 4.264 0.020 . 2 . . . . A 37 GLY HA3 . 34392 1 441 . 1 . 1 37 37 GLY CA C 13 43.989 0.050 . 1 . . . . A 37 GLY CA . 34392 1 442 . 1 . 1 37 37 GLY N N 15 106.851 0.050 . 1 . . . . A 37 GLY N . 34392 1 443 . 1 . 1 38 38 CYS H H 1 8.738 0.020 . 1 . . . . A 38 CYS H . 34392 1 444 . 1 . 1 38 38 CYS HA H 1 5.915 0.020 . 1 . . . . A 38 CYS HA . 34392 1 445 . 1 . 1 38 38 CYS HB2 H 1 2.916 0.020 . 2 . . . . A 38 CYS HB2 . 34392 1 446 . 1 . 1 38 38 CYS HB3 H 1 3.473 0.020 . 2 . . . . A 38 CYS HB3 . 34392 1 447 . 1 . 1 38 38 CYS CA C 13 53.725 0.050 . 1 . . . . A 38 CYS CA . 34392 1 448 . 1 . 1 38 38 CYS CB C 13 44.803 0.050 . 1 . . . . A 38 CYS CB . 34392 1 449 . 1 . 1 38 38 CYS N N 15 121.138 0.050 . 1 . . . . A 38 CYS N . 34392 1 450 . 1 . 1 39 39 ILE H H 1 9.734 0.020 . 1 . . . . A 39 ILE H . 34392 1 451 . 1 . 1 39 39 ILE HA H 1 4.374 0.020 . 1 . . . . A 39 ILE HA . 34392 1 452 . 1 . 1 39 39 ILE HB H 1 1.617 0.020 . 1 . . . . A 39 ILE HB . 34392 1 453 . 1 . 1 39 39 ILE HG12 H 1 1.379 0.020 . 2 . . . . A 39 ILE HG12 . 34392 1 454 . 1 . 1 39 39 ILE HG13 H 1 1.587 0.020 . 2 . . . . A 39 ILE HG13 . 34392 1 455 . 1 . 1 39 39 ILE HG21 H 1 0.471 0.020 . 1 . . . . A 39 ILE HG21 . 34392 1 456 . 1 . 1 39 39 ILE HG22 H 1 0.471 0.020 . 1 . . . . A 39 ILE HG22 . 34392 1 457 . 1 . 1 39 39 ILE HG23 H 1 0.471 0.020 . 1 . . . . A 39 ILE HG23 . 34392 1 458 . 1 . 1 39 39 ILE HD11 H 1 0.248 0.020 . 1 . . . . A 39 ILE HD11 . 34392 1 459 . 1 . 1 39 39 ILE HD12 H 1 0.248 0.020 . 1 . . . . A 39 ILE HD12 . 34392 1 460 . 1 . 1 39 39 ILE HD13 H 1 0.248 0.020 . 1 . . . . A 39 ILE HD13 . 34392 1 461 . 1 . 1 39 39 ILE CA C 13 59.499 0.050 . 1 . . . . A 39 ILE CA . 34392 1 462 . 1 . 1 39 39 ILE CB C 13 40.360 0.050 . 1 . . . . A 39 ILE CB . 34392 1 463 . 1 . 1 39 39 ILE CG1 C 13 27.275 0.050 . 1 . . . . A 39 ILE CG1 . 34392 1 464 . 1 . 1 39 39 ILE CG2 C 13 13.860 0.050 . 1 . . . . A 39 ILE CG2 . 34392 1 465 . 1 . 1 39 39 ILE CD1 C 13 11.563 0.050 . 1 . . . . A 39 ILE CD1 . 34392 1 466 . 1 . 1 39 39 ILE N N 15 122.504 0.050 . 1 . . . . A 39 ILE N . 34392 1 467 . 1 . 1 40 40 ASP H H 1 8.544 0.020 . 1 . . . . A 40 ASP H . 34392 1 468 . 1 . 1 40 40 ASP HA H 1 4.786 0.020 . 1 . . . . A 40 ASP HA . 34392 1 469 . 1 . 1 40 40 ASP HB2 H 1 2.703 0.020 . 2 . . . . A 40 ASP HB2 . 34392 1 470 . 1 . 1 40 40 ASP HB3 H 1 2.728 0.020 . 2 . . . . A 40 ASP HB3 . 34392 1 471 . 1 . 1 40 40 ASP CA C 13 52.117 0.050 . 1 . . . . A 40 ASP CA . 34392 1 472 . 1 . 1 40 40 ASP CB C 13 37.959 0.050 . 1 . . . . A 40 ASP CB . 34392 1 473 . 1 . 1 40 40 ASP N N 15 118.750 0.050 . 1 . . . . A 40 ASP N . 34392 1 474 . 1 . 1 41 41 ALA H H 1 7.496 0.020 . 1 . . . . A 41 ALA H . 34392 1 475 . 1 . 1 41 41 ALA HA H 1 4.280 0.020 . 1 . . . . A 41 ALA HA . 34392 1 476 . 1 . 1 41 41 ALA HB1 H 1 1.126 0.020 . 1 . . . . A 41 ALA HB1 . 34392 1 477 . 1 . 1 41 41 ALA HB2 H 1 1.126 0.020 . 1 . . . . A 41 ALA HB2 . 34392 1 478 . 1 . 1 41 41 ALA HB3 H 1 1.126 0.020 . 1 . . . . A 41 ALA HB3 . 34392 1 479 . 1 . 1 41 41 ALA CA C 13 48.437 0.050 . 1 . . . . A 41 ALA CA . 34392 1 480 . 1 . 1 41 41 ALA CB C 13 18.305 0.050 . 1 . . . . A 41 ALA CB . 34392 1 481 . 1 . 1 41 41 ALA N N 15 122.661 0.050 . 1 . . . . A 41 ALA N . 34392 1 482 . 1 . 1 42 42 CYS H H 1 9.086 0.020 . 1 . . . . A 42 CYS H . 34392 1 483 . 1 . 1 42 42 CYS HA H 1 4.502 0.020 . 1 . . . . A 42 CYS HA . 34392 1 484 . 1 . 1 42 42 CYS HB2 H 1 2.724 0.020 . 2 . . . . A 42 CYS HB2 . 34392 1 485 . 1 . 1 42 42 CYS HB3 H 1 3.060 0.020 . 2 . . . . A 42 CYS HB3 . 34392 1 486 . 1 . 1 42 42 CYS CA C 13 52.424 0.050 . 1 . . . . A 42 CYS CA . 34392 1 487 . 1 . 1 42 42 CYS CB C 13 39.425 0.050 . 1 . . . . A 42 CYS CB . 34392 1 488 . 1 . 1 42 42 CYS N N 15 126.279 0.050 . 1 . . . . A 42 CYS N . 34392 1 489 . 1 . 1 43 43 PRO HA H 1 4.069 0.020 . 1 . . . . A 43 PRO HA . 34392 1 490 . 1 . 1 43 43 PRO HB2 H 1 0.559 0.020 . 2 . . . . A 43 PRO HB2 . 34392 1 491 . 1 . 1 43 43 PRO HB3 H 1 1.816 0.020 . 2 . . . . A 43 PRO HB3 . 34392 1 492 . 1 . 1 43 43 PRO HG2 H 1 0.683 0.020 . 2 . . . . A 43 PRO HG2 . 34392 1 493 . 1 . 1 43 43 PRO HG3 H 1 1.215 0.020 . 2 . . . . A 43 PRO HG3 . 34392 1 494 . 1 . 1 43 43 PRO HD2 H 1 2.323 0.020 . 2 . . . . A 43 PRO HD2 . 34392 1 495 . 1 . 1 43 43 PRO HD3 H 1 3.872 0.020 . 2 . . . . A 43 PRO HD3 . 34392 1 496 . 1 . 1 43 43 PRO CA C 13 59.422 0.050 . 1 . . . . A 43 PRO CA . 34392 1 497 . 1 . 1 43 43 PRO CB C 13 28.756 0.050 . 1 . . . . A 43 PRO CB . 34392 1 498 . 1 . 1 43 43 PRO CG C 13 24.990 0.050 . 1 . . . . A 43 PRO CG . 34392 1 499 . 1 . 1 43 43 PRO CD C 13 48.381 0.050 . 1 . . . . A 43 PRO CD . 34392 1 500 . 1 . 1 44 44 LYS H H 1 7.858 0.020 . 1 . . . . A 44 LYS H . 34392 1 501 . 1 . 1 44 44 LYS HA H 1 4.145 0.020 . 1 . . . . A 44 LYS HA . 34392 1 502 . 1 . 1 44 44 LYS HB2 H 1 1.684 0.020 . 2 . . . . A 44 LYS HB2 . 34392 1 503 . 1 . 1 44 44 LYS HB3 H 1 1.802 0.020 . 2 . . . . A 44 LYS HB3 . 34392 1 504 . 1 . 1 44 44 LYS HG2 H 1 1.526 0.020 . 1 . . . . A 44 LYS HG2 . 34392 1 505 . 1 . 1 44 44 LYS HG3 H 1 1.526 0.020 . 1 . . . . A 44 LYS HG3 . 34392 1 506 . 1 . 1 44 44 LYS HD2 H 1 1.696 0.020 . 1 . . . . A 44 LYS HD2 . 34392 1 507 . 1 . 1 44 44 LYS HD3 H 1 1.696 0.020 . 1 . . . . A 44 LYS HD3 . 34392 1 508 . 1 . 1 44 44 LYS HE2 H 1 3.017 0.020 . 1 . . . . A 44 LYS HE2 . 34392 1 509 . 1 . 1 44 44 LYS HE3 H 1 3.017 0.020 . 1 . . . . A 44 LYS HE3 . 34392 1 510 . 1 . 1 44 44 LYS CA C 13 53.436 0.050 . 1 . . . . A 44 LYS CA . 34392 1 511 . 1 . 1 44 44 LYS CB C 13 30.671 0.050 . 1 . . . . A 44 LYS CB . 34392 1 512 . 1 . 1 44 44 LYS CG C 13 22.364 0.050 . 1 . . . . A 44 LYS CG . 34392 1 513 . 1 . 1 44 44 LYS CD C 13 26.569 0.050 . 1 . . . . A 44 LYS CD . 34392 1 514 . 1 . 1 44 44 LYS CE C 13 39.760 0.050 . 1 . . . . A 44 LYS CE . 34392 1 515 . 1 . 1 44 44 LYS N N 15 118.707 0.050 . 1 . . . . A 44 LYS N . 34392 1 516 . 1 . 1 45 45 ASN H H 1 8.424 0.020 . 1 . . . . A 45 ASN H . 34392 1 517 . 1 . 1 45 45 ASN HA H 1 4.944 0.020 . 1 . . . . A 45 ASN HA . 34392 1 518 . 1 . 1 45 45 ASN HB2 H 1 2.866 0.020 . 2 . . . . A 45 ASN HB2 . 34392 1 519 . 1 . 1 45 45 ASN HB3 H 1 3.118 0.020 . 2 . . . . A 45 ASN HB3 . 34392 1 520 . 1 . 1 45 45 ASN HD21 H 1 7.409 0.020 . 1 . . . . A 45 ASN HD21 . 34392 1 521 . 1 . 1 45 45 ASN HD22 H 1 7.622 0.020 . 1 . . . . A 45 ASN HD22 . 34392 1 522 . 1 . 1 45 45 ASN CA C 13 51.212 0.050 . 1 . . . . A 45 ASN CA . 34392 1 523 . 1 . 1 45 45 ASN CB C 13 36.805 0.050 . 1 . . . . A 45 ASN CB . 34392 1 524 . 1 . 1 45 45 ASN N N 15 120.769 0.050 . 1 . . . . A 45 ASN N . 34392 1 525 . 1 . 1 46 46 SER H H 1 9.043 0.020 . 1 . . . . A 46 SER H . 34392 1 526 . 1 . 1 46 46 SER HA H 1 4.990 0.020 . 1 . . . . A 46 SER HA . 34392 1 527 . 1 . 1 46 46 SER HB2 H 1 3.964 0.020 . 2 . . . . A 46 SER HB2 . 34392 1 528 . 1 . 1 46 46 SER HB3 H 1 4.425 0.020 . 2 . . . . A 46 SER HB3 . 34392 1 529 . 1 . 1 46 46 SER CA C 13 53.710 0.050 . 1 . . . . A 46 SER CA . 34392 1 530 . 1 . 1 46 46 SER CB C 13 64.096 0.050 . 1 . . . . A 46 SER CB . 34392 1 531 . 1 . 1 46 46 SER N N 15 117.823 0.050 . 1 . . . . A 46 SER N . 34392 1 532 . 1 . 1 47 47 LEU H H 1 8.327 0.020 . 1 . . . . A 47 LEU H . 34392 1 533 . 1 . 1 47 47 LEU HA H 1 4.183 0.020 . 1 . . . . A 47 LEU HA . 34392 1 534 . 1 . 1 47 47 LEU HB2 H 1 1.610 0.020 . 2 . . . . A 47 LEU HB2 . 34392 1 535 . 1 . 1 47 47 LEU HB3 H 1 1.742 0.020 . 2 . . . . A 47 LEU HB3 . 34392 1 536 . 1 . 1 47 47 LEU HG H 1 1.714 0.020 . 1 . . . . A 47 LEU HG . 34392 1 537 . 1 . 1 47 47 LEU HD11 H 1 0.912 0.020 . 1 . . . . A 47 LEU HD11 . 34392 1 538 . 1 . 1 47 47 LEU HD12 H 1 0.912 0.020 . 1 . . . . A 47 LEU HD12 . 34392 1 539 . 1 . 1 47 47 LEU HD13 H 1 0.912 0.020 . 1 . . . . A 47 LEU HD13 . 34392 1 540 . 1 . 1 47 47 LEU HD21 H 1 0.957 0.020 . 1 . . . . A 47 LEU HD21 . 34392 1 541 . 1 . 1 47 47 LEU HD22 H 1 0.957 0.020 . 1 . . . . A 47 LEU HD22 . 34392 1 542 . 1 . 1 47 47 LEU HD23 H 1 0.957 0.020 . 1 . . . . A 47 LEU HD23 . 34392 1 543 . 1 . 1 47 47 LEU CA C 13 55.159 0.050 . 1 . . . . A 47 LEU CA . 34392 1 544 . 1 . 1 47 47 LEU CB C 13 39.573 0.050 . 1 . . . . A 47 LEU CB . 34392 1 545 . 1 . 1 47 47 LEU CG C 13 24.675 0.050 . 1 . . . . A 47 LEU CG . 34392 1 546 . 1 . 1 47 47 LEU CD1 C 13 21.044 0.050 . 1 . . . . A 47 LEU CD1 . 34392 1 547 . 1 . 1 47 47 LEU CD2 C 13 22.162 0.050 . 1 . . . . A 47 LEU CD2 . 34392 1 548 . 1 . 1 47 47 LEU N N 15 118.462 0.050 . 1 . . . . A 47 LEU N . 34392 1 549 . 1 . 1 48 48 LEU H H 1 8.099 0.020 . 1 . . . . A 48 LEU H . 34392 1 550 . 1 . 1 48 48 LEU HA H 1 4.523 0.020 . 1 . . . . A 48 LEU HA . 34392 1 551 . 1 . 1 48 48 LEU HB2 H 1 1.667 0.020 . 2 . . . . A 48 LEU HB2 . 34392 1 552 . 1 . 1 48 48 LEU HB3 H 1 1.721 0.020 . 2 . . . . A 48 LEU HB3 . 34392 1 553 . 1 . 1 48 48 LEU HG H 1 1.653 0.020 . 1 . . . . A 48 LEU HG . 34392 1 554 . 1 . 1 48 48 LEU HD11 H 1 0.841 0.020 . 1 . . . . A 48 LEU HD11 . 34392 1 555 . 1 . 1 48 48 LEU HD12 H 1 0.841 0.020 . 1 . . . . A 48 LEU HD12 . 34392 1 556 . 1 . 1 48 48 LEU HD13 H 1 0.841 0.020 . 1 . . . . A 48 LEU HD13 . 34392 1 557 . 1 . 1 48 48 LEU HD21 H 1 0.906 0.020 . 1 . . . . A 48 LEU HD21 . 34392 1 558 . 1 . 1 48 48 LEU HD22 H 1 0.906 0.020 . 1 . . . . A 48 LEU HD22 . 34392 1 559 . 1 . 1 48 48 LEU HD23 H 1 0.906 0.020 . 1 . . . . A 48 LEU HD23 . 34392 1 560 . 1 . 1 48 48 LEU CA C 13 53.145 0.050 . 1 . . . . A 48 LEU CA . 34392 1 561 . 1 . 1 48 48 LEU CB C 13 42.154 0.050 . 1 . . . . A 48 LEU CB . 34392 1 562 . 1 . 1 48 48 LEU CG C 13 24.728 0.050 . 1 . . . . A 48 LEU CG . 34392 1 563 . 1 . 1 48 48 LEU CD1 C 13 20.455 0.050 . 1 . . . . A 48 LEU CD1 . 34392 1 564 . 1 . 1 48 48 LEU CD2 C 13 22.506 0.050 . 1 . . . . A 48 LEU CD2 . 34392 1 565 . 1 . 1 48 48 LEU N N 15 114.507 0.050 . 1 . . . . A 48 LEU N . 34392 1 566 . 1 . 1 49 49 VAL H H 1 7.439 0.020 . 1 . . . . A 49 VAL H . 34392 1 567 . 1 . 1 49 49 VAL HA H 1 4.902 0.020 . 1 . . . . A 49 VAL HA . 34392 1 568 . 1 . 1 49 49 VAL HB H 1 1.859 0.020 . 1 . . . . A 49 VAL HB . 34392 1 569 . 1 . 1 49 49 VAL HG11 H 1 0.740 0.020 . 1 . . . . A 49 VAL HG11 . 34392 1 570 . 1 . 1 49 49 VAL HG12 H 1 0.740 0.020 . 1 . . . . A 49 VAL HG12 . 34392 1 571 . 1 . 1 49 49 VAL HG13 H 1 0.740 0.020 . 1 . . . . A 49 VAL HG13 . 34392 1 572 . 1 . 1 49 49 VAL HG21 H 1 0.866 0.020 . 1 . . . . A 49 VAL HG21 . 34392 1 573 . 1 . 1 49 49 VAL HG22 H 1 0.866 0.020 . 1 . . . . A 49 VAL HG22 . 34392 1 574 . 1 . 1 49 49 VAL HG23 H 1 0.866 0.020 . 1 . . . . A 49 VAL HG23 . 34392 1 575 . 1 . 1 49 49 VAL CA C 13 58.125 0.050 . 1 . . . . A 49 VAL CA . 34392 1 576 . 1 . 1 49 49 VAL CB C 13 32.956 0.050 . 1 . . . . A 49 VAL CB . 34392 1 577 . 1 . 1 49 49 VAL CG1 C 13 19.903 0.050 . 1 . . . . A 49 VAL CG1 . 34392 1 578 . 1 . 1 49 49 VAL CG2 C 13 17.780 0.050 . 1 . . . . A 49 VAL CG2 . 34392 1 579 . 1 . 1 49 49 VAL N N 15 117.716 0.050 . 1 . . . . A 49 VAL N . 34392 1 580 . 1 . 1 50 50 LYS H H 1 8.601 0.020 . 1 . . . . A 50 LYS H . 34392 1 581 . 1 . 1 50 50 LYS HA H 1 4.799 0.020 . 1 . . . . A 50 LYS HA . 34392 1 582 . 1 . 1 50 50 LYS HB2 H 1 1.413 0.020 . 2 . . . . A 50 LYS HB2 . 34392 1 583 . 1 . 1 50 50 LYS HB3 H 1 1.598 0.020 . 2 . . . . A 50 LYS HB3 . 34392 1 584 . 1 . 1 50 50 LYS HG2 H 1 1.123 0.020 . 2 . . . . A 50 LYS HG2 . 34392 1 585 . 1 . 1 50 50 LYS HG3 H 1 1.381 0.020 . 2 . . . . A 50 LYS HG3 . 34392 1 586 . 1 . 1 50 50 LYS HD2 H 1 1.577 0.020 . 2 . . . . A 50 LYS HD2 . 34392 1 587 . 1 . 1 50 50 LYS HD3 H 1 1.618 0.020 . 2 . . . . A 50 LYS HD3 . 34392 1 588 . 1 . 1 50 50 LYS HE2 H 1 2.790 0.020 . 2 . . . . A 50 LYS HE2 . 34392 1 589 . 1 . 1 50 50 LYS HE3 H 1 2.871 0.020 . 2 . . . . A 50 LYS HE3 . 34392 1 590 . 1 . 1 50 50 LYS CA C 13 50.982 0.050 . 1 . . . . A 50 LYS CA . 34392 1 591 . 1 . 1 50 50 LYS CB C 13 33.773 0.050 . 1 . . . . A 50 LYS CB . 34392 1 592 . 1 . 1 50 50 LYS CG C 13 22.599 0.050 . 1 . . . . A 50 LYS CG . 34392 1 593 . 1 . 1 50 50 LYS CD C 13 26.598 0.050 . 1 . . . . A 50 LYS CD . 34392 1 594 . 1 . 1 50 50 LYS CE C 13 40.001 0.050 . 1 . . . . A 50 LYS CE . 34392 1 595 . 1 . 1 50 50 LYS N N 15 122.405 0.050 . 1 . . . . A 50 LYS N . 34392 1 596 . 1 . 1 51 51 TYR H H 1 9.012 0.020 . 1 . . . . A 51 TYR H . 34392 1 597 . 1 . 1 51 51 TYR HA H 1 5.362 0.020 . 1 . . . . A 51 TYR HA . 34392 1 598 . 1 . 1 51 51 TYR HB2 H 1 2.765 0.020 . 2 . . . . A 51 TYR HB2 . 34392 1 599 . 1 . 1 51 51 TYR HB3 H 1 2.920 0.020 . 2 . . . . A 51 TYR HB3 . 34392 1 600 . 1 . 1 51 51 TYR HD1 H 1 6.892 0.020 . 1 . . . . A 51 TYR HD1 . 34392 1 601 . 1 . 1 51 51 TYR HD2 H 1 6.892 0.020 . 1 . . . . A 51 TYR HD2 . 34392 1 602 . 1 . 1 51 51 TYR HE1 H 1 6.578 0.020 . 1 . . . . A 51 TYR HE1 . 34392 1 603 . 1 . 1 51 51 TYR HE2 H 1 6.578 0.020 . 1 . . . . A 51 TYR HE2 . 34392 1 604 . 1 . 1 51 51 TYR CA C 13 54.835 0.050 . 1 . . . . A 51 TYR CA . 34392 1 605 . 1 . 1 51 51 TYR CB C 13 39.748 0.050 . 1 . . . . A 51 TYR CB . 34392 1 606 . 1 . 1 51 51 TYR N N 15 120.946 0.050 . 1 . . . . A 51 TYR N . 34392 1 607 . 1 . 1 52 52 VAL H H 1 8.886 0.020 . 1 . . . . A 52 VAL H . 34392 1 608 . 1 . 1 52 52 VAL HA H 1 4.550 0.020 . 1 . . . . A 52 VAL HA . 34392 1 609 . 1 . 1 52 52 VAL HB H 1 2.027 0.020 . 1 . . . . A 52 VAL HB . 34392 1 610 . 1 . 1 52 52 VAL HG11 H 1 1.035 0.020 . 1 . . . . A 52 VAL HG11 . 34392 1 611 . 1 . 1 52 52 VAL HG12 H 1 1.035 0.020 . 1 . . . . A 52 VAL HG12 . 34392 1 612 . 1 . 1 52 52 VAL HG13 H 1 1.035 0.020 . 1 . . . . A 52 VAL HG13 . 34392 1 613 . 1 . 1 52 52 VAL HG21 H 1 1.138 0.020 . 1 . . . . A 52 VAL HG21 . 34392 1 614 . 1 . 1 52 52 VAL HG22 H 1 1.138 0.020 . 1 . . . . A 52 VAL HG22 . 34392 1 615 . 1 . 1 52 52 VAL HG23 H 1 1.138 0.020 . 1 . . . . A 52 VAL HG23 . 34392 1 616 . 1 . 1 52 52 VAL CA C 13 59.763 0.050 . 1 . . . . A 52 VAL CA . 34392 1 617 . 1 . 1 52 52 VAL CB C 13 32.377 0.050 . 1 . . . . A 52 VAL CB . 34392 1 618 . 1 . 1 52 52 VAL CG1 C 13 18.538 0.050 . 1 . . . . A 52 VAL CG1 . 34392 1 619 . 1 . 1 52 52 VAL CG2 C 13 18.538 0.050 . 1 . . . . A 52 VAL CG2 . 34392 1 620 . 1 . 1 52 52 VAL N N 15 121.709 0.050 . 1 . . . . A 52 VAL N . 34392 1 621 . 1 . 1 53 53 CYS H H 1 9.449 0.020 . 1 . . . . A 53 CYS H . 34392 1 622 . 1 . 1 53 53 CYS HA H 1 5.817 0.020 . 1 . . . . A 53 CYS HA . 34392 1 623 . 1 . 1 53 53 CYS HB2 H 1 3.063 0.020 . 2 . . . . A 53 CYS HB2 . 34392 1 624 . 1 . 1 53 53 CYS HB3 H 1 3.737 0.020 . 2 . . . . A 53 CYS HB3 . 34392 1 625 . 1 . 1 53 53 CYS CA C 13 52.314 0.050 . 1 . . . . A 53 CYS CA . 34392 1 626 . 1 . 1 53 53 CYS CB C 13 46.744 0.050 . 1 . . . . A 53 CYS CB . 34392 1 627 . 1 . 1 53 53 CYS N N 15 125.391 0.050 . 1 . . . . A 53 CYS N . 34392 1 628 . 1 . 1 54 54 CYS H H 1 9.194 0.020 . 1 . . . . A 54 CYS H . 34392 1 629 . 1 . 1 54 54 CYS HA H 1 5.083 0.020 . 1 . . . . A 54 CYS HA . 34392 1 630 . 1 . 1 54 54 CYS HB2 H 1 3.417 0.020 . 2 . . . . A 54 CYS HB2 . 34392 1 631 . 1 . 1 54 54 CYS HB3 H 1 3.618 0.020 . 2 . . . . A 54 CYS HB3 . 34392 1 632 . 1 . 1 54 54 CYS CA C 13 52.820 0.050 . 1 . . . . A 54 CYS CA . 34392 1 633 . 1 . 1 54 54 CYS CB C 13 43.559 0.050 . 1 . . . . A 54 CYS CB . 34392 1 634 . 1 . 1 54 54 CYS N N 15 118.572 0.050 . 1 . . . . A 54 CYS N . 34392 1 635 . 1 . 1 55 55 ASN H H 1 8.565 0.020 . 1 . . . . A 55 ASN H . 34392 1 636 . 1 . 1 55 55 ASN HA H 1 5.118 0.020 . 1 . . . . A 55 ASN HA . 34392 1 637 . 1 . 1 55 55 ASN HB2 H 1 2.630 0.020 . 2 . . . . A 55 ASN HB2 . 34392 1 638 . 1 . 1 55 55 ASN HB3 H 1 3.345 0.020 . 2 . . . . A 55 ASN HB3 . 34392 1 639 . 1 . 1 55 55 ASN HD21 H 1 6.704 0.020 . 1 . . . . A 55 ASN HD21 . 34392 1 640 . 1 . 1 55 55 ASN HD22 H 1 7.492 0.020 . 1 . . . . A 55 ASN HD22 . 34392 1 641 . 1 . 1 55 55 ASN CA C 13 50.557 0.050 . 1 . . . . A 55 ASN CA . 34392 1 642 . 1 . 1 55 55 ASN CB C 13 37.353 0.050 . 1 . . . . A 55 ASN CB . 34392 1 643 . 1 . 1 55 55 ASN N N 15 118.795 0.050 . 1 . . . . A 55 ASN N . 34392 1 644 . 1 . 1 55 55 ASN ND2 N 15 109.779 0.050 . 1 . . . . A 55 ASN ND2 . 34392 1 645 . 1 . 1 56 56 THR H H 1 7.551 0.020 . 1 . . . . A 56 THR H . 34392 1 646 . 1 . 1 56 56 THR HA H 1 4.676 0.020 . 1 . . . . A 56 THR HA . 34392 1 647 . 1 . 1 56 56 THR HB H 1 4.270 0.020 . 1 . . . . A 56 THR HB . 34392 1 648 . 1 . 1 56 56 THR HG21 H 1 1.180 0.020 . 1 . . . . A 56 THR HG21 . 34392 1 649 . 1 . 1 56 56 THR HG22 H 1 1.180 0.020 . 1 . . . . A 56 THR HG22 . 34392 1 650 . 1 . 1 56 56 THR HG23 H 1 1.180 0.020 . 1 . . . . A 56 THR HG23 . 34392 1 651 . 1 . 1 56 56 THR CA C 13 57.594 0.050 . 1 . . . . A 56 THR CA . 34392 1 652 . 1 . 1 56 56 THR CB C 13 69.446 0.050 . 1 . . . . A 56 THR CB . 34392 1 653 . 1 . 1 56 56 THR CG2 C 13 19.366 0.050 . 1 . . . . A 56 THR CG2 . 34392 1 654 . 1 . 1 56 56 THR N N 15 110.373 0.050 . 1 . . . . A 56 THR N . 34392 1 655 . 1 . 1 57 57 ASP H H 1 8.206 0.020 . 1 . . . . A 57 ASP H . 34392 1 656 . 1 . 1 57 57 ASP HA H 1 4.797 0.020 . 1 . . . . A 57 ASP HA . 34392 1 657 . 1 . 1 57 57 ASP HB2 H 1 2.264 0.020 . 2 . . . . A 57 ASP HB2 . 34392 1 658 . 1 . 1 57 57 ASP HB3 H 1 2.477 0.020 . 2 . . . . A 57 ASP HB3 . 34392 1 659 . 1 . 1 57 57 ASP CA C 13 53.285 0.050 . 1 . . . . A 57 ASP CA . 34392 1 660 . 1 . 1 57 57 ASP CB C 13 38.948 0.050 . 1 . . . . A 57 ASP CB . 34392 1 661 . 1 . 1 57 57 ASP N N 15 118.347 0.050 . 1 . . . . A 57 ASP N . 34392 1 662 . 1 . 1 58 58 ARG H H 1 9.652 0.020 . 1 . . . . A 58 ARG H . 34392 1 663 . 1 . 1 58 58 ARG HA H 1 3.380 0.020 . 1 . . . . A 58 ARG HA . 34392 1 664 . 1 . 1 58 58 ARG HB2 H 1 0.814 0.020 . 2 . . . . A 58 ARG HB2 . 34392 1 665 . 1 . 1 58 58 ARG HB3 H 1 1.312 0.020 . 2 . . . . A 58 ARG HB3 . 34392 1 666 . 1 . 1 58 58 ARG HG2 H 1 1.710 0.020 . 2 . . . . A 58 ARG HG2 . 34392 1 667 . 1 . 1 58 58 ARG HG3 H 1 2.164 0.020 . 2 . . . . A 58 ARG HG3 . 34392 1 668 . 1 . 1 58 58 ARG HD2 H 1 2.304 0.020 . 2 . . . . A 58 ARG HD2 . 34392 1 669 . 1 . 1 58 58 ARG HD3 H 1 2.718 0.020 . 2 . . . . A 58 ARG HD3 . 34392 1 670 . 1 . 1 58 58 ARG HE H 1 7.523 0.020 . 1 . . . . A 58 ARG HE . 34392 1 671 . 1 . 1 58 58 ARG CA C 13 55.545 0.050 . 1 . . . . A 58 ARG CA . 34392 1 672 . 1 . 1 58 58 ARG CB C 13 25.459 0.050 . 1 . . . . A 58 ARG CB . 34392 1 673 . 1 . 1 58 58 ARG CG C 13 24.668 0.050 . 1 . . . . A 58 ARG CG . 34392 1 674 . 1 . 1 58 58 ARG CD C 13 40.571 0.050 . 1 . . . . A 58 ARG CD . 34392 1 675 . 1 . 1 58 58 ARG N N 15 114.565 0.050 . 1 . . . . A 58 ARG N . 34392 1 676 . 1 . 1 59 59 CYS H H 1 7.568 0.020 . 1 . . . . A 59 CYS H . 34392 1 677 . 1 . 1 59 59 CYS HA H 1 4.438 0.020 . 1 . . . . A 59 CYS HA . 34392 1 678 . 1 . 1 59 59 CYS HB2 H 1 3.334 0.020 . 2 . . . . A 59 CYS HB2 . 34392 1 679 . 1 . 1 59 59 CYS HB3 H 1 3.624 0.020 . 2 . . . . A 59 CYS HB3 . 34392 1 680 . 1 . 1 59 59 CYS CA C 13 53.907 0.050 . 1 . . . . A 59 CYS CA . 34392 1 681 . 1 . 1 59 59 CYS CB C 13 43.581 0.050 . 1 . . . . A 59 CYS CB . 34392 1 682 . 1 . 1 59 59 CYS N N 15 111.774 0.050 . 1 . . . . A 59 CYS N . 34392 1 683 . 1 . 1 60 60 ASN H H 1 8.979 0.020 . 1 . . . . A 60 ASN H . 34392 1 684 . 1 . 1 60 60 ASN HA H 1 4.350 0.020 . 1 . . . . A 60 ASN HA . 34392 1 685 . 1 . 1 60 60 ASN HB2 H 1 2.315 0.020 . 2 . . . . A 60 ASN HB2 . 34392 1 686 . 1 . 1 60 60 ASN HB3 H 1 2.712 0.020 . 2 . . . . A 60 ASN HB3 . 34392 1 687 . 1 . 1 60 60 ASN HD21 H 1 7.464 0.020 . 1 . . . . A 60 ASN HD21 . 34392 1 688 . 1 . 1 60 60 ASN HD22 H 1 7.660 0.020 . 1 . . . . A 60 ASN HD22 . 34392 1 689 . 1 . 1 60 60 ASN CA C 13 51.946 0.050 . 1 . . . . A 60 ASN CA . 34392 1 690 . 1 . 1 60 60 ASN CB C 13 37.380 0.050 . 1 . . . . A 60 ASN CB . 34392 1 691 . 1 . 1 60 60 ASN N N 15 126.777 0.050 . 1 . . . . A 60 ASN N . 34392 1 stop_ save_