data_34771 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34771 _Entry.Title ; Solution structure of Lqq4 toxin from Leiurus quinquestriatus quinquestriatus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-14 _Entry.Accession_date 2022-11-14 _Entry.Last_release_date 2022-12-06 _Entry.Original_release_date 2022-12-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION 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 K. Mineev K. S. . . 34771 2 V. Motov V. V. . . 34771 3 A. Vassilevski A. A. . . 34771 4 M. Chernykh M. A. . . 34771 5 A. Kuzmenkov A. I. . . 34771 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Toxin . 34771 protein . 34771 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34771 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 34771 '15N chemical shifts' 69 34771 '1H chemical shifts' 431 34771 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-09-23 . original BMRB . 34771 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8BO0 'BMRB Entry Tracking System' 34771 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34771 _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 ; Solution structure of Lqq4 toxin from Leiurus quinquestriatus quinquestriatus ; _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 K. Mineev K. S. . . 34771 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34771 _Assembly.ID 1 _Assembly.Name 'Alpha-toxin Lqq4' _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 . . . . . . 34771 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 13 13 SG . 1 . 1 CYS 64 64 SG . . . . . . . . . . . . 34771 1 2 disulfide single . 1 . 1 CYS 17 17 SG . 1 . 1 CYS 23 23 SG . . . . . . . . . . . . 34771 1 3 disulfide single . 1 . 1 CYS 17 17 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . . . 34771 1 4 disulfide single . 1 . 1 CYS 17 17 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . . . 34771 1 5 disulfide single . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . . . 34771 1 6 disulfide single . 1 . 1 CYS 27 27 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . . . 34771 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34771 _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 ; GVRDAYIADDKNCVYTCGSN SYCNTECTKNGAESGYCQWL GKYGNACWCIKLPDKVPIRI PGKCR ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7211.229 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Lqq IV' common 34771 1 LqqIV common 34771 1 'Toxin IV' common 34771 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 . GLY . 34771 1 2 . VAL . 34771 1 3 . ARG . 34771 1 4 . ASP . 34771 1 5 . ALA . 34771 1 6 . TYR . 34771 1 7 . ILE . 34771 1 8 . ALA . 34771 1 9 . ASP . 34771 1 10 . ASP . 34771 1 11 . LYS . 34771 1 12 . ASN . 34771 1 13 . CYS . 34771 1 14 . VAL . 34771 1 15 . TYR . 34771 1 16 . THR . 34771 1 17 . CYS . 34771 1 18 . GLY . 34771 1 19 . SER . 34771 1 20 . ASN . 34771 1 21 . SER . 34771 1 22 . TYR . 34771 1 23 . CYS . 34771 1 24 . ASN . 34771 1 25 . THR . 34771 1 26 . GLU . 34771 1 27 . CYS . 34771 1 28 . THR . 34771 1 29 . LYS . 34771 1 30 . ASN . 34771 1 31 . GLY . 34771 1 32 . ALA . 34771 1 33 . GLU . 34771 1 34 . SER . 34771 1 35 . GLY . 34771 1 36 . TYR . 34771 1 37 . CYS . 34771 1 38 . GLN . 34771 1 39 . TRP . 34771 1 40 . LEU . 34771 1 41 . GLY . 34771 1 42 . LYS . 34771 1 43 . TYR . 34771 1 44 . GLY . 34771 1 45 . ASN . 34771 1 46 . ALA . 34771 1 47 . CYS . 34771 1 48 . TRP . 34771 1 49 . CYS . 34771 1 50 . ILE . 34771 1 51 . LYS . 34771 1 52 . LEU . 34771 1 53 . PRO . 34771 1 54 . ASP . 34771 1 55 . LYS . 34771 1 56 . VAL . 34771 1 57 . PRO . 34771 1 58 . ILE . 34771 1 59 . ARG . 34771 1 60 . ILE . 34771 1 61 . PRO . 34771 1 62 . GLY . 34771 1 63 . LYS . 34771 1 64 . CYS . 34771 1 65 . ARG . 34771 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 . GLY 1 1 34771 1 . VAL 2 2 34771 1 . ARG 3 3 34771 1 . ASP 4 4 34771 1 . ALA 5 5 34771 1 . TYR 6 6 34771 1 . ILE 7 7 34771 1 . ALA 8 8 34771 1 . ASP 9 9 34771 1 . ASP 10 10 34771 1 . LYS 11 11 34771 1 . ASN 12 12 34771 1 . CYS 13 13 34771 1 . VAL 14 14 34771 1 . TYR 15 15 34771 1 . THR 16 16 34771 1 . CYS 17 17 34771 1 . GLY 18 18 34771 1 . SER 19 19 34771 1 . ASN 20 20 34771 1 . SER 21 21 34771 1 . TYR 22 22 34771 1 . CYS 23 23 34771 1 . ASN 24 24 34771 1 . THR 25 25 34771 1 . GLU 26 26 34771 1 . CYS 27 27 34771 1 . THR 28 28 34771 1 . LYS 29 29 34771 1 . ASN 30 30 34771 1 . GLY 31 31 34771 1 . ALA 32 32 34771 1 . GLU 33 33 34771 1 . SER 34 34 34771 1 . GLY 35 35 34771 1 . TYR 36 36 34771 1 . CYS 37 37 34771 1 . GLN 38 38 34771 1 . TRP 39 39 34771 1 . LEU 40 40 34771 1 . GLY 41 41 34771 1 . LYS 42 42 34771 1 . TYR 43 43 34771 1 . GLY 44 44 34771 1 . ASN 45 45 34771 1 . ALA 46 46 34771 1 . CYS 47 47 34771 1 . TRP 48 48 34771 1 . CYS 49 49 34771 1 . ILE 50 50 34771 1 . LYS 51 51 34771 1 . LEU 52 52 34771 1 . PRO 53 53 34771 1 . ASP 54 54 34771 1 . LYS 55 55 34771 1 . VAL 56 56 34771 1 . PRO 57 57 34771 1 . ILE 58 58 34771 1 . ARG 59 59 34771 1 . ILE 60 60 34771 1 . PRO 61 61 34771 1 . GLY 62 62 34771 1 . LYS 63 63 34771 1 . CYS 64 64 34771 1 . ARG 65 65 34771 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 34771 _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 . 6885 organism . 'Leiurus quinquestriatus quinquestriatus' 'Egyptian scorpion' . . Eukaryota Metazoa Leiurus quinquestriatus . . . . . . . . . . . . . 34771 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 34771 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34771 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34771 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 13C; U-100% 15N] Lqq4, 0.01 % w/w sodium azide, 10 mM sodium chloride, 95% H2O/5% D2O' _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 Lqq4 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34771 1 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/w' . . . . 34771 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34771 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 34771 _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' 10 . mM 34771 1 pH 5.2 . pH 34771 1 pressure 1 . atm 34771 1 temperature 298 . K 34771 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34771 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34771 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34771 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34771 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34771 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34771 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34771 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34771 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34771 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34771 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Orekhov . . 34771 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34771 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 34771 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34771 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34771 _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 III' . 600 . . . 34771 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34771 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 34771 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NOESY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34771 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34771 1 3 '3D HNHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34771 1 4 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34771 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34771 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34771 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34771 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34771 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 34771 _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 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34771 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34771 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34771 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 34771 _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 . _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 NOESY . . . 34771 1 2 '3D HNCACB' . . . 34771 1 3 '3D HNHB' . . . 34771 1 4 '3D HNHA' . . . 34771 1 5 '3D HCCH-TOCSY' . . . 34771 1 6 '3D 1H-15N TOCSY' . . . 34771 1 7 '3D 1H-13C NOESY aliphatic' . . . 34771 1 8 '3D 1H-15N NOESY' . . . 34771 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 GLY HA2 H 1 3.910 0.020 . 2 . . . . A 1 GLY HA2 . 34771 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.910 0.020 . 2 . . . . A 1 GLY HA3 . 34771 1 3 . 1 . 1 1 1 GLY C C 13 169.766 0.400 . 1 . . . . A 1 GLY C . 34771 1 4 . 1 . 1 1 1 GLY CA C 13 43.342 0.400 . 1 . . . . A 1 GLY CA . 34771 1 5 . 1 . 1 2 2 VAL H H 1 8.424 0.020 . 1 . . . . A 2 VAL H . 34771 1 6 . 1 . 1 2 2 VAL HA H 1 4.955 0.020 . 1 . . . . A 2 VAL HA . 34771 1 7 . 1 . 1 2 2 VAL HB H 1 1.333 0.020 . 1 . . . . A 2 VAL HB . 34771 1 8 . 1 . 1 2 2 VAL HG11 H 1 0.719 0.020 . 2 . . . . A 2 VAL HG11 . 34771 1 9 . 1 . 1 2 2 VAL HG12 H 1 0.719 0.020 . 2 . . . . A 2 VAL HG12 . 34771 1 10 . 1 . 1 2 2 VAL HG13 H 1 0.719 0.020 . 2 . . . . A 2 VAL HG13 . 34771 1 11 . 1 . 1 2 2 VAL HG21 H 1 0.692 0.020 . 2 . . . . A 2 VAL HG21 . 34771 1 12 . 1 . 1 2 2 VAL HG22 H 1 0.692 0.020 . 2 . . . . A 2 VAL HG22 . 34771 1 13 . 1 . 1 2 2 VAL HG23 H 1 0.692 0.020 . 2 . . . . A 2 VAL HG23 . 34771 1 14 . 1 . 1 2 2 VAL C C 13 174.908 0.400 . 1 . . . . A 2 VAL C . 34771 1 15 . 1 . 1 2 2 VAL CA C 13 58.932 0.400 . 1 . . . . A 2 VAL CA . 34771 1 16 . 1 . 1 2 2 VAL CB C 13 35.665 0.400 . 1 . . . . A 2 VAL CB . 34771 1 17 . 1 . 1 2 2 VAL CG1 C 13 21.520 0.400 . 2 . . . . A 2 VAL CG1 . 34771 1 18 . 1 . 1 2 2 VAL CG2 C 13 17.662 0.400 . 2 . . . . A 2 VAL CG2 . 34771 1 19 . 1 . 1 2 2 VAL N N 15 113.100 0.400 . 1 . . . . A 2 VAL N . 34771 1 20 . 1 . 1 3 3 ARG H H 1 8.603 0.020 . 1 . . . . A 3 ARG H . 34771 1 21 . 1 . 1 3 3 ARG HA H 1 4.649 0.020 . 1 . . . . A 3 ARG HA . 34771 1 22 . 1 . 1 3 3 ARG HB2 H 1 1.694 0.020 . 2 . . . . A 3 ARG HB2 . 34771 1 23 . 1 . 1 3 3 ARG HB3 H 1 1.933 0.020 . 2 . . . . A 3 ARG HB3 . 34771 1 24 . 1 . 1 3 3 ARG HG2 H 1 1.429 0.020 . 2 . . . . A 3 ARG HG2 . 34771 1 25 . 1 . 1 3 3 ARG HG3 H 1 1.291 0.020 . 2 . . . . A 3 ARG HG3 . 34771 1 26 . 1 . 1 3 3 ARG HD2 H 1 3.090 0.020 . 2 . . . . A 3 ARG HD2 . 34771 1 27 . 1 . 1 3 3 ARG HD3 H 1 2.990 0.020 . 2 . . . . A 3 ARG HD3 . 34771 1 28 . 1 . 1 3 3 ARG HE H 1 7.655 0.020 . 1 . . . . A 3 ARG HE . 34771 1 29 . 1 . 1 3 3 ARG HH11 H 1 6.500 0.020 . 2 . . . . A 3 ARG HH11 . 34771 1 30 . 1 . 1 3 3 ARG HH12 H 1 6.500 0.020 . 2 . . . . A 3 ARG HH12 . 34771 1 31 . 1 . 1 3 3 ARG HH21 H 1 6.500 0.020 . 2 . . . . A 3 ARG HH21 . 34771 1 32 . 1 . 1 3 3 ARG HH22 H 1 6.500 0.020 . 2 . . . . A 3 ARG HH22 . 34771 1 33 . 1 . 1 3 3 ARG C C 13 172.866 0.400 . 1 . . . . A 3 ARG C . 34771 1 34 . 1 . 1 3 3 ARG CA C 13 54.750 0.400 . 1 . . . . A 3 ARG CA . 34771 1 35 . 1 . 1 3 3 ARG CB C 13 32.371 0.400 . 1 . . . . A 3 ARG CB . 34771 1 36 . 1 . 1 3 3 ARG CG C 13 25.504 0.400 . 1 . . . . A 3 ARG CG . 34771 1 37 . 1 . 1 3 3 ARG CD C 13 44.038 0.400 . 1 . . . . A 3 ARG CD . 34771 1 38 . 1 . 1 3 3 ARG CZ C 13 172.837 0.400 . 1 . . . . A 3 ARG CZ . 34771 1 39 . 1 . 1 3 3 ARG N N 15 117.516 0.400 . 1 . . . . A 3 ARG N . 34771 1 40 . 1 . 1 3 3 ARG NE N 15 86.391 0.400 . 1 . . . . A 3 ARG NE . 34771 1 41 . 1 . 1 3 3 ARG NH1 N 15 72.571 0.400 . 1 . . . . A 3 ARG NH1 . 34771 1 42 . 1 . 1 3 3 ARG NH2 N 15 72.571 0.400 . 1 . . . . A 3 ARG NH2 . 34771 1 43 . 1 . 1 4 4 ASP H H 1 8.270 0.020 . 1 . . . . A 4 ASP H . 34771 1 44 . 1 . 1 4 4 ASP HA H 1 5.154 0.020 . 1 . . . . A 4 ASP HA . 34771 1 45 . 1 . 1 4 4 ASP HB2 H 1 2.593 0.020 . 2 . . . . A 4 ASP HB2 . 34771 1 46 . 1 . 1 4 4 ASP HB3 H 1 2.643 0.020 . 2 . . . . A 4 ASP HB3 . 34771 1 47 . 1 . 1 4 4 ASP C C 13 174.966 0.400 . 1 . . . . A 4 ASP C . 34771 1 48 . 1 . 1 4 4 ASP CA C 13 52.235 0.400 . 1 . . . . A 4 ASP CA . 34771 1 49 . 1 . 1 4 4 ASP CB C 13 39.698 0.400 . 1 . . . . A 4 ASP CB . 34771 1 50 . 1 . 1 4 4 ASP N N 15 123.998 0.400 . 1 . . . . A 4 ASP N . 34771 1 51 . 1 . 1 5 5 ALA H H 1 7.647 0.020 . 1 . . . . A 5 ALA H . 34771 1 52 . 1 . 1 5 5 ALA HA H 1 3.437 0.020 . 1 . . . . A 5 ALA HA . 34771 1 53 . 1 . 1 5 5 ALA HB1 H 1 1.018 0.020 . 1 . . . . A 5 ALA HB1 . 34771 1 54 . 1 . 1 5 5 ALA HB2 H 1 1.018 0.020 . 1 . . . . A 5 ALA HB2 . 34771 1 55 . 1 . 1 5 5 ALA HB3 H 1 1.018 0.020 . 1 . . . . A 5 ALA HB3 . 34771 1 56 . 1 . 1 5 5 ALA C C 13 175.646 0.400 . 1 . . . . A 5 ALA C . 34771 1 57 . 1 . 1 5 5 ALA CA C 13 51.591 0.400 . 1 . . . . A 5 ALA CA . 34771 1 58 . 1 . 1 5 5 ALA CB C 13 23.299 0.400 . 1 . . . . A 5 ALA CB . 34771 1 59 . 1 . 1 5 5 ALA N N 15 124.310 0.400 . 1 . . . . A 5 ALA N . 34771 1 60 . 1 . 1 6 6 TYR H H 1 8.026 0.020 . 1 . . . . A 6 TYR H . 34771 1 61 . 1 . 1 6 6 TYR HA H 1 5.220 0.020 . 1 . . . . A 6 TYR HA . 34771 1 62 . 1 . 1 6 6 TYR HB2 H 1 3.094 0.020 . 2 . . . . A 6 TYR HB2 . 34771 1 63 . 1 . 1 6 6 TYR HB3 H 1 2.914 0.020 . 2 . . . . A 6 TYR HB3 . 34771 1 64 . 1 . 1 6 6 TYR HD1 H 1 7.544 0.020 . 1 . . . . A 6 TYR HD1 . 34771 1 65 . 1 . 1 6 6 TYR HD2 H 1 7.544 0.020 . 1 . . . . A 6 TYR HD2 . 34771 1 66 . 1 . 1 6 6 TYR HE1 H 1 7.002 0.020 . 1 . . . . A 6 TYR HE1 . 34771 1 67 . 1 . 1 6 6 TYR HE2 H 1 7.002 0.020 . 1 . . . . A 6 TYR HE2 . 34771 1 68 . 1 . 1 6 6 TYR C C 13 175.168 0.400 . 1 . . . . A 6 TYR C . 34771 1 69 . 1 . 1 6 6 TYR CA C 13 57.852 0.400 . 1 . . . . A 6 TYR CA . 34771 1 70 . 1 . 1 6 6 TYR CB C 13 38.088 0.400 . 1 . . . . A 6 TYR CB . 34771 1 71 . 1 . 1 6 6 TYR CD1 C 13 134.081 0.400 . 3 . . . . A 6 TYR CD1 . 34771 1 72 . 1 . 1 6 6 TYR CE1 C 13 118.927 0.400 . 3 . . . . A 6 TYR CE1 . 34771 1 73 . 1 . 1 6 6 TYR N N 15 118.034 0.400 . 1 . . . . A 6 TYR N . 34771 1 74 . 1 . 1 7 7 ILE H H 1 6.388 0.020 . 1 . . . . A 7 ILE H . 34771 1 75 . 1 . 1 7 7 ILE HA H 1 4.059 0.020 . 1 . . . . A 7 ILE HA . 34771 1 76 . 1 . 1 7 7 ILE HB H 1 1.667 0.020 . 1 . . . . A 7 ILE HB . 34771 1 77 . 1 . 1 7 7 ILE HG12 H 1 1.525 0.020 . 2 . . . . A 7 ILE HG12 . 34771 1 78 . 1 . 1 7 7 ILE HG13 H 1 0.899 0.020 . 2 . . . . A 7 ILE HG13 . 34771 1 79 . 1 . 1 7 7 ILE HG21 H 1 0.375 0.020 . 1 . . . . A 7 ILE HG21 . 34771 1 80 . 1 . 1 7 7 ILE HG22 H 1 0.375 0.020 . 1 . . . . A 7 ILE HG22 . 34771 1 81 . 1 . 1 7 7 ILE HG23 H 1 0.375 0.020 . 1 . . . . A 7 ILE HG23 . 34771 1 82 . 1 . 1 7 7 ILE HD11 H 1 0.482 0.020 . 1 . . . . A 7 ILE HD11 . 34771 1 83 . 1 . 1 7 7 ILE HD12 H 1 0.482 0.020 . 1 . . . . A 7 ILE HD12 . 34771 1 84 . 1 . 1 7 7 ILE HD13 H 1 0.482 0.020 . 1 . . . . A 7 ILE HD13 . 34771 1 85 . 1 . 1 7 7 ILE C C 13 171.914 0.400 . 1 . . . . A 7 ILE C . 34771 1 86 . 1 . 1 7 7 ILE CA C 13 61.064 0.400 . 1 . . . . A 7 ILE CA . 34771 1 87 . 1 . 1 7 7 ILE CB C 13 38.958 0.400 . 1 . . . . A 7 ILE CB . 34771 1 88 . 1 . 1 7 7 ILE CG1 C 13 28.158 0.400 . 1 . . . . A 7 ILE CG1 . 34771 1 89 . 1 . 1 7 7 ILE CG2 C 13 14.614 0.400 . 1 . . . . A 7 ILE CG2 . 34771 1 90 . 1 . 1 7 7 ILE CD1 C 13 13.933 0.400 . 1 . . . . A 7 ILE CD1 . 34771 1 91 . 1 . 1 7 7 ILE N N 15 122.231 0.400 . 1 . . . . A 7 ILE N . 34771 1 92 . 1 . 1 8 8 ALA H H 1 7.966 0.020 . 1 . . . . A 8 ALA H . 34771 1 93 . 1 . 1 8 8 ALA HA H 1 5.178 0.020 . 1 . . . . A 8 ALA HA . 34771 1 94 . 1 . 1 8 8 ALA HB1 H 1 0.906 0.020 . 1 . . . . A 8 ALA HB1 . 34771 1 95 . 1 . 1 8 8 ALA HB2 H 1 0.906 0.020 . 1 . . . . A 8 ALA HB2 . 34771 1 96 . 1 . 1 8 8 ALA HB3 H 1 0.906 0.020 . 1 . . . . A 8 ALA HB3 . 34771 1 97 . 1 . 1 8 8 ALA C C 13 175.994 0.400 . 1 . . . . A 8 ALA C . 34771 1 98 . 1 . 1 8 8 ALA CA C 13 49.520 0.400 . 1 . . . . A 8 ALA CA . 34771 1 99 . 1 . 1 8 8 ALA CB C 13 21.994 0.400 . 1 . . . . A 8 ALA CB . 34771 1 100 . 1 . 1 8 8 ALA N N 15 126.243 0.400 . 1 . . . . A 8 ALA N . 34771 1 101 . 1 . 1 9 9 ASP H H 1 8.200 0.020 . 1 . . . . A 9 ASP H . 34771 1 102 . 1 . 1 9 9 ASP HA H 1 4.772 0.020 . 1 . . . . A 9 ASP HA . 34771 1 103 . 1 . 1 9 9 ASP HB2 H 1 2.492 0.020 . 2 . . . . A 9 ASP HB2 . 34771 1 104 . 1 . 1 9 9 ASP HB3 H 1 3.196 0.020 . 2 . . . . A 9 ASP HB3 . 34771 1 105 . 1 . 1 9 9 ASP C C 13 176.878 0.400 . 1 . . . . A 9 ASP C . 34771 1 106 . 1 . 1 9 9 ASP CA C 13 51.990 0.400 . 1 . . . . A 9 ASP CA . 34771 1 107 . 1 . 1 9 9 ASP CB C 13 41.239 0.400 . 1 . . . . A 9 ASP CB . 34771 1 108 . 1 . 1 9 9 ASP N N 15 117.971 0.400 . 1 . . . . A 9 ASP N . 34771 1 109 . 1 . 1 10 10 ASP H H 1 8.326 0.020 . 1 . . . . A 10 ASP H . 34771 1 110 . 1 . 1 10 10 ASP HA H 1 4.357 0.020 . 1 . . . . A 10 ASP HA . 34771 1 111 . 1 . 1 10 10 ASP HB2 H 1 2.806 0.020 . 2 . . . . A 10 ASP HB2 . 34771 1 112 . 1 . 1 10 10 ASP HB3 H 1 2.720 0.020 . 2 . . . . A 10 ASP HB3 . 34771 1 113 . 1 . 1 10 10 ASP C C 13 176.414 0.400 . 1 . . . . A 10 ASP C . 34771 1 114 . 1 . 1 10 10 ASP CA C 13 55.492 0.400 . 1 . . . . A 10 ASP CA . 34771 1 115 . 1 . 1 10 10 ASP CB C 13 39.642 0.400 . 1 . . . . A 10 ASP CB . 34771 1 116 . 1 . 1 10 10 ASP N N 15 114.802 0.400 . 1 . . . . A 10 ASP N . 34771 1 117 . 1 . 1 11 11 LYS H H 1 8.298 0.020 . 1 . . . . A 11 LYS H . 34771 1 118 . 1 . 1 11 11 LYS HA H 1 4.388 0.020 . 1 . . . . A 11 LYS HA . 34771 1 119 . 1 . 1 11 11 LYS HB2 H 1 1.859 0.020 . 2 . . . . A 11 LYS HB2 . 34771 1 120 . 1 . 1 11 11 LYS HB3 H 1 2.054 0.020 . 2 . . . . A 11 LYS HB3 . 34771 1 121 . 1 . 1 11 11 LYS HG2 H 1 1.394 0.020 . 2 . . . . A 11 LYS HG2 . 34771 1 122 . 1 . 1 11 11 LYS HG3 H 1 1.303 0.020 . 2 . . . . A 11 LYS HG3 . 34771 1 123 . 1 . 1 11 11 LYS HD2 H 1 1.650 0.020 . 2 . . . . A 11 LYS HD2 . 34771 1 124 . 1 . 1 11 11 LYS HD3 H 1 1.650 0.020 . 2 . . . . A 11 LYS HD3 . 34771 1 125 . 1 . 1 11 11 LYS HE2 H 1 2.969 0.020 . 2 . . . . A 11 LYS HE2 . 34771 1 126 . 1 . 1 11 11 LYS HE3 H 1 2.969 0.020 . 2 . . . . A 11 LYS HE3 . 34771 1 127 . 1 . 1 11 11 LYS C C 13 175.400 0.400 . 1 . . . . A 11 LYS C . 34771 1 128 . 1 . 1 11 11 LYS CA C 13 55.411 0.400 . 1 . . . . A 11 LYS CA . 34771 1 129 . 1 . 1 11 11 LYS CB C 13 32.247 0.400 . 1 . . . . A 11 LYS CB . 34771 1 130 . 1 . 1 11 11 LYS CG C 13 24.803 0.400 . 1 . . . . A 11 LYS CG . 34771 1 131 . 1 . 1 11 11 LYS CD C 13 28.842 0.400 . 1 . . . . A 11 LYS CD . 34771 1 132 . 1 . 1 11 11 LYS CE C 13 42.137 0.400 . 1 . . . . A 11 LYS CE . 34771 1 133 . 1 . 1 11 11 LYS N N 15 120.732 0.400 . 1 . . . . A 11 LYS N . 34771 1 134 . 1 . 1 12 12 ASN H H 1 8.200 0.020 . 1 . . . . A 12 ASN H . 34771 1 135 . 1 . 1 12 12 ASN HA H 1 4.134 0.020 . 1 . . . . A 12 ASN HA . 34771 1 136 . 1 . 1 12 12 ASN HB2 H 1 3.553 0.020 . 2 . . . . A 12 ASN HB2 . 34771 1 137 . 1 . 1 12 12 ASN HB3 H 1 2.559 0.020 . 2 . . . . A 12 ASN HB3 . 34771 1 138 . 1 . 1 12 12 ASN HD21 H 1 6.947 0.020 . 2 . . . . A 12 ASN HD21 . 34771 1 139 . 1 . 1 12 12 ASN HD22 H 1 6.947 0.020 . 2 . . . . A 12 ASN HD22 . 34771 1 140 . 1 . 1 12 12 ASN C C 13 173.373 0.400 . 1 . . . . A 12 ASN C . 34771 1 141 . 1 . 1 12 12 ASN CA C 13 54.894 0.400 . 1 . . . . A 12 ASN CA . 34771 1 142 . 1 . 1 12 12 ASN CB C 13 37.566 0.400 . 1 . . . . A 12 ASN CB . 34771 1 143 . 1 . 1 12 12 ASN N N 15 112.988 0.400 . 1 . . . . A 12 ASN N . 34771 1 144 . 1 . 1 12 12 ASN ND2 N 15 110.303 0.400 . 1 . . . . A 12 ASN ND2 . 34771 1 145 . 1 . 1 13 13 CYS H H 1 8.271 0.020 . 1 . . . . A 13 CYS H . 34771 1 146 . 1 . 1 13 13 CYS HA H 1 4.953 0.020 . 1 . . . . A 13 CYS HA . 34771 1 147 . 1 . 1 13 13 CYS HB2 H 1 3.414 0.020 . 2 . . . . A 13 CYS HB2 . 34771 1 148 . 1 . 1 13 13 CYS HB3 H 1 3.129 0.020 . 2 . . . . A 13 CYS HB3 . 34771 1 149 . 1 . 1 13 13 CYS C C 13 176.949 0.400 . 1 . . . . A 13 CYS C . 34771 1 150 . 1 . 1 13 13 CYS CA C 13 54.473 0.400 . 1 . . . . A 13 CYS CA . 34771 1 151 . 1 . 1 13 13 CYS CB C 13 43.025 0.400 . 1 . . . . A 13 CYS CB . 34771 1 152 . 1 . 1 13 13 CYS N N 15 116.252 0.400 . 1 . . . . A 13 CYS N . 34771 1 153 . 1 . 1 14 14 VAL H H 1 7.998 0.020 . 1 . . . . A 14 VAL H . 34771 1 154 . 1 . 1 14 14 VAL HA H 1 4.599 0.020 . 1 . . . . A 14 VAL HA . 34771 1 155 . 1 . 1 14 14 VAL HB H 1 2.673 0.020 . 1 . . . . A 14 VAL HB . 34771 1 156 . 1 . 1 14 14 VAL HG11 H 1 0.620 0.020 . 2 . . . . A 14 VAL HG11 . 34771 1 157 . 1 . 1 14 14 VAL HG12 H 1 0.620 0.020 . 2 . . . . A 14 VAL HG12 . 34771 1 158 . 1 . 1 14 14 VAL HG13 H 1 0.620 0.020 . 2 . . . . A 14 VAL HG13 . 34771 1 159 . 1 . 1 14 14 VAL HG21 H 1 0.759 0.020 . 2 . . . . A 14 VAL HG21 . 34771 1 160 . 1 . 1 14 14 VAL HG22 H 1 0.759 0.020 . 2 . . . . A 14 VAL HG22 . 34771 1 161 . 1 . 1 14 14 VAL HG23 H 1 0.759 0.020 . 2 . . . . A 14 VAL HG23 . 34771 1 162 . 1 . 1 14 14 VAL C C 13 175.526 0.400 . 1 . . . . A 14 VAL C . 34771 1 163 . 1 . 1 14 14 VAL CA C 13 61.294 0.400 . 1 . . . . A 14 VAL CA . 34771 1 164 . 1 . 1 14 14 VAL CB C 13 31.670 0.400 . 1 . . . . A 14 VAL CB . 34771 1 165 . 1 . 1 14 14 VAL CG1 C 13 21.961 0.400 . 2 . . . . A 14 VAL CG1 . 34771 1 166 . 1 . 1 14 14 VAL CG2 C 13 17.261 0.400 . 2 . . . . A 14 VAL CG2 . 34771 1 167 . 1 . 1 14 14 VAL N N 15 113.615 0.400 . 1 . . . . A 14 VAL N . 34771 1 168 . 1 . 1 15 15 TYR H H 1 8.915 0.020 . 1 . . . . A 15 TYR H . 34771 1 169 . 1 . 1 15 15 TYR HA H 1 4.706 0.020 . 1 . . . . A 15 TYR HA . 34771 1 170 . 1 . 1 15 15 TYR HB2 H 1 3.066 0.020 . 2 . . . . A 15 TYR HB2 . 34771 1 171 . 1 . 1 15 15 TYR HB3 H 1 2.912 0.020 . 2 . . . . A 15 TYR HB3 . 34771 1 172 . 1 . 1 15 15 TYR HD1 H 1 7.070 0.020 . 1 . . . . A 15 TYR HD1 . 34771 1 173 . 1 . 1 15 15 TYR HD2 H 1 7.070 0.020 . 1 . . . . A 15 TYR HD2 . 34771 1 174 . 1 . 1 15 15 TYR HE1 H 1 6.583 0.020 . 1 . . . . A 15 TYR HE1 . 34771 1 175 . 1 . 1 15 15 TYR HE2 H 1 6.583 0.020 . 1 . . . . A 15 TYR HE2 . 34771 1 176 . 1 . 1 15 15 TYR C C 13 175.415 0.400 . 1 . . . . A 15 TYR C . 34771 1 177 . 1 . 1 15 15 TYR CA C 13 56.658 0.400 . 1 . . . . A 15 TYR CA . 34771 1 178 . 1 . 1 15 15 TYR CB C 13 37.156 0.400 . 1 . . . . A 15 TYR CB . 34771 1 179 . 1 . 1 15 15 TYR CD1 C 13 133.076 0.400 . 3 . . . . A 15 TYR CD1 . 34771 1 180 . 1 . 1 15 15 TYR CE1 C 13 117.652 0.400 . 3 . . . . A 15 TYR CE1 . 34771 1 181 . 1 . 1 15 15 TYR N N 15 123.528 0.400 . 1 . . . . A 15 TYR N . 34771 1 182 . 1 . 1 16 16 THR H H 1 7.909 0.020 . 1 . . . . A 16 THR H . 34771 1 183 . 1 . 1 16 16 THR HA H 1 4.788 0.020 . 1 . . . . A 16 THR HA . 34771 1 184 . 1 . 1 16 16 THR HB H 1 4.178 0.020 . 1 . . . . A 16 THR HB . 34771 1 185 . 1 . 1 16 16 THR HG21 H 1 1.315 0.020 . 1 . . . . A 16 THR HG21 . 34771 1 186 . 1 . 1 16 16 THR HG22 H 1 1.315 0.020 . 1 . . . . A 16 THR HG22 . 34771 1 187 . 1 . 1 16 16 THR HG23 H 1 1.315 0.020 . 1 . . . . A 16 THR HG23 . 34771 1 188 . 1 . 1 16 16 THR C C 13 174.430 0.400 . 1 . . . . A 16 THR C . 34771 1 189 . 1 . 1 16 16 THR CA C 13 62.772 0.400 . 1 . . . . A 16 THR CA . 34771 1 190 . 1 . 1 16 16 THR CB C 13 69.065 0.400 . 1 . . . . A 16 THR CB . 34771 1 191 . 1 . 1 16 16 THR CG2 C 13 21.730 0.400 . 1 . . . . A 16 THR CG2 . 34771 1 192 . 1 . 1 16 16 THR N N 15 118.871 0.400 . 1 . . . . A 16 THR N . 34771 1 193 . 1 . 1 17 17 CYS H H 1 7.740 0.020 . 1 . . . . A 17 CYS H . 34771 1 194 . 1 . 1 17 17 CYS HA H 1 4.915 0.020 . 1 . . . . A 17 CYS HA . 34771 1 195 . 1 . 1 17 17 CYS HB2 H 1 3.243 0.020 . 2 . . . . A 17 CYS HB2 . 34771 1 196 . 1 . 1 17 17 CYS HB3 H 1 3.341 0.020 . 2 . . . . A 17 CYS HB3 . 34771 1 197 . 1 . 1 17 17 CYS C C 13 172.706 0.400 . 1 . . . . A 17 CYS C . 34771 1 198 . 1 . 1 17 17 CYS CA C 13 53.320 0.400 . 1 . . . . A 17 CYS CA . 34771 1 199 . 1 . 1 17 17 CYS CB C 13 47.862 0.400 . 1 . . . . A 17 CYS CB . 34771 1 200 . 1 . 1 17 17 CYS N N 15 116.423 0.400 . 1 . . . . A 17 CYS N . 34771 1 201 . 1 . 1 18 18 GLY H H 1 8.872 0.020 . 1 . . . . A 18 GLY H . 34771 1 202 . 1 . 1 18 18 GLY HA2 H 1 4.533 0.020 . 2 . . . . A 18 GLY HA2 . 34771 1 203 . 1 . 1 18 18 GLY HA3 H 1 3.711 0.020 . 2 . . . . A 18 GLY HA3 . 34771 1 204 . 1 . 1 18 18 GLY C C 13 173.387 0.400 . 1 . . . . A 18 GLY C . 34771 1 205 . 1 . 1 18 18 GLY CA C 13 44.441 0.400 . 1 . . . . A 18 GLY CA . 34771 1 206 . 1 . 1 18 18 GLY N N 15 105.631 0.400 . 1 . . . . A 18 GLY N . 34771 1 207 . 1 . 1 19 19 SER H H 1 7.399 0.020 . 1 . . . . A 19 SER H . 34771 1 208 . 1 . 1 19 19 SER HA H 1 5.009 0.020 . 1 . . . . A 19 SER HA . 34771 1 209 . 1 . 1 19 19 SER HB2 H 1 4.073 0.020 . 2 . . . . A 19 SER HB2 . 34771 1 210 . 1 . 1 19 19 SER HB3 H 1 4.228 0.020 . 2 . . . . A 19 SER HB3 . 34771 1 211 . 1 . 1 19 19 SER C C 13 174.397 0.400 . 1 . . . . A 19 SER C . 34771 1 212 . 1 . 1 19 19 SER CA C 13 56.529 0.400 . 1 . . . . A 19 SER CA . 34771 1 213 . 1 . 1 19 19 SER CB C 13 65.229 0.400 . 1 . . . . A 19 SER CB . 34771 1 214 . 1 . 1 19 19 SER N N 15 112.425 0.400 . 1 . . . . A 19 SER N . 34771 1 215 . 1 . 1 20 20 ASN H H 1 9.463 0.020 . 1 . . . . A 20 ASN H . 34771 1 216 . 1 . 1 20 20 ASN HA H 1 4.650 0.020 . 1 . . . . A 20 ASN HA . 34771 1 217 . 1 . 1 20 20 ASN HB2 H 1 3.282 0.020 . 2 . . . . A 20 ASN HB2 . 34771 1 218 . 1 . 1 20 20 ASN HB3 H 1 3.052 0.020 . 2 . . . . A 20 ASN HB3 . 34771 1 219 . 1 . 1 20 20 ASN HD21 H 1 7.956 0.020 . 2 . . . . A 20 ASN HD21 . 34771 1 220 . 1 . 1 20 20 ASN HD22 H 1 7.292 0.020 . 2 . . . . A 20 ASN HD22 . 34771 1 221 . 1 . 1 20 20 ASN C C 13 177.689 0.400 . 1 . . . . A 20 ASN C . 34771 1 222 . 1 . 1 20 20 ASN CA C 13 56.679 0.400 . 1 . . . . A 20 ASN CA . 34771 1 223 . 1 . 1 20 20 ASN CB C 13 37.967 0.400 . 1 . . . . A 20 ASN CB . 34771 1 224 . 1 . 1 20 20 ASN N N 15 123.040 0.400 . 1 . . . . A 20 ASN N . 34771 1 225 . 1 . 1 20 20 ASN ND2 N 15 113.266 0.400 . 1 . . . . A 20 ASN ND2 . 34771 1 226 . 1 . 1 21 21 SER H H 1 8.851 0.020 . 1 . . . . A 21 SER H . 34771 1 227 . 1 . 1 21 21 SER HA H 1 4.272 0.020 . 1 . . . . A 21 SER HA . 34771 1 228 . 1 . 1 21 21 SER HB2 H 1 4.052 0.020 . 2 . . . . A 21 SER HB2 . 34771 1 229 . 1 . 1 21 21 SER HB3 H 1 4.015 0.020 . 2 . . . . A 21 SER HB3 . 34771 1 230 . 1 . 1 21 21 SER C C 13 176.878 0.400 . 1 . . . . A 21 SER C . 34771 1 231 . 1 . 1 21 21 SER CA C 13 61.397 0.400 . 1 . . . . A 21 SER CA . 34771 1 232 . 1 . 1 21 21 SER CB C 13 61.967 0.400 . 1 . . . . A 21 SER CB . 34771 1 233 . 1 . 1 21 21 SER N N 15 117.007 0.400 . 1 . . . . A 21 SER N . 34771 1 234 . 1 . 1 22 22 TYR H H 1 7.723 0.020 . 1 . . . . A 22 TYR H . 34771 1 235 . 1 . 1 22 22 TYR HA H 1 4.389 0.020 . 1 . . . . A 22 TYR HA . 34771 1 236 . 1 . 1 22 22 TYR HB2 H 1 3.356 0.020 . 2 . . . . A 22 TYR HB2 . 34771 1 237 . 1 . 1 22 22 TYR HB3 H 1 3.048 0.020 . 2 . . . . A 22 TYR HB3 . 34771 1 238 . 1 . 1 22 22 TYR HD1 H 1 7.167 0.020 . 1 . . . . A 22 TYR HD1 . 34771 1 239 . 1 . 1 22 22 TYR HD2 H 1 7.167 0.020 . 1 . . . . A 22 TYR HD2 . 34771 1 240 . 1 . 1 22 22 TYR HE1 H 1 6.890 0.020 . 1 . . . . A 22 TYR HE1 . 34771 1 241 . 1 . 1 22 22 TYR HE2 H 1 6.890 0.020 . 1 . . . . A 22 TYR HE2 . 34771 1 242 . 1 . 1 22 22 TYR C C 13 176.892 0.400 . 1 . . . . A 22 TYR C . 34771 1 243 . 1 . 1 22 22 TYR CA C 13 60.977 0.400 . 1 . . . . A 22 TYR CA . 34771 1 244 . 1 . 1 22 22 TYR CB C 13 38.834 0.400 . 1 . . . . A 22 TYR CB . 34771 1 245 . 1 . 1 22 22 TYR CD1 C 13 133.185 0.400 . 3 . . . . A 22 TYR CD1 . 34771 1 246 . 1 . 1 22 22 TYR CE1 C 13 118.890 0.400 . 3 . . . . A 22 TYR CE1 . 34771 1 247 . 1 . 1 22 22 TYR N N 15 122.678 0.400 . 1 . . . . A 22 TYR N . 34771 1 248 . 1 . 1 23 23 CYS H H 1 6.964 0.020 . 1 . . . . A 23 CYS H . 34771 1 249 . 1 . 1 23 23 CYS HA H 1 4.268 0.020 . 1 . . . . A 23 CYS HA . 34771 1 250 . 1 . 1 23 23 CYS HB2 H 1 2.654 0.020 . 2 . . . . A 23 CYS HB2 . 34771 1 251 . 1 . 1 23 23 CYS HB3 H 1 2.495 0.020 . 2 . . . . A 23 CYS HB3 . 34771 1 252 . 1 . 1 23 23 CYS C C 13 176.646 0.400 . 1 . . . . A 23 CYS C . 34771 1 253 . 1 . 1 23 23 CYS CA C 13 54.369 0.400 . 1 . . . . A 23 CYS CA . 34771 1 254 . 1 . 1 23 23 CYS CB C 13 33.241 0.400 . 1 . . . . A 23 CYS CB . 34771 1 255 . 1 . 1 23 23 CYS N N 15 115.255 0.400 . 1 . . . . A 23 CYS N . 34771 1 256 . 1 . 1 24 24 ASN H H 1 9.144 0.020 . 1 . . . . A 24 ASN H . 34771 1 257 . 1 . 1 24 24 ASN HA H 1 4.069 0.020 . 1 . . . . A 24 ASN HA . 34771 1 258 . 1 . 1 24 24 ASN HB2 H 1 2.952 0.020 . 2 . . . . A 24 ASN HB2 . 34771 1 259 . 1 . 1 24 24 ASN HB3 H 1 2.952 0.020 . 2 . . . . A 24 ASN HB3 . 34771 1 260 . 1 . 1 24 24 ASN HD21 H 1 7.750 0.020 . 2 . . . . A 24 ASN HD21 . 34771 1 261 . 1 . 1 24 24 ASN HD22 H 1 6.960 0.020 . 2 . . . . A 24 ASN HD22 . 34771 1 262 . 1 . 1 24 24 ASN C C 13 178.500 0.400 . 1 . . . . A 24 ASN C . 34771 1 263 . 1 . 1 24 24 ASN CA C 13 58.786 0.400 . 1 . . . . A 24 ASN CA . 34771 1 264 . 1 . 1 24 24 ASN CB C 13 38.919 0.400 . 1 . . . . A 24 ASN CB . 34771 1 265 . 1 . 1 24 24 ASN N N 15 123.041 0.400 . 1 . . . . A 24 ASN N . 34771 1 266 . 1 . 1 24 24 ASN ND2 N 15 113.773 0.400 . 1 . . . . A 24 ASN ND2 . 34771 1 267 . 1 . 1 25 25 THR H H 1 8.531 0.020 . 1 . . . . A 25 THR H . 34771 1 268 . 1 . 1 25 25 THR HA H 1 3.735 0.020 . 1 . . . . A 25 THR HA . 34771 1 269 . 1 . 1 25 25 THR HB H 1 4.341 0.020 . 1 . . . . A 25 THR HB . 34771 1 270 . 1 . 1 25 25 THR HG21 H 1 1.177 0.020 . 1 . . . . A 25 THR HG21 . 34771 1 271 . 1 . 1 25 25 THR HG22 H 1 1.177 0.020 . 1 . . . . A 25 THR HG22 . 34771 1 272 . 1 . 1 25 25 THR HG23 H 1 1.177 0.020 . 1 . . . . A 25 THR HG23 . 34771 1 273 . 1 . 1 25 25 THR C C 13 175.197 0.400 . 1 . . . . A 25 THR C . 34771 1 274 . 1 . 1 25 25 THR CA C 13 67.230 0.400 . 1 . . . . A 25 THR CA . 34771 1 275 . 1 . 1 25 25 THR CB C 13 68.355 0.400 . 1 . . . . A 25 THR CB . 34771 1 276 . 1 . 1 25 25 THR CG2 C 13 21.751 0.400 . 1 . . . . A 25 THR CG2 . 34771 1 277 . 1 . 1 25 25 THR N N 15 118.831 0.400 . 1 . . . . A 25 THR N . 34771 1 278 . 1 . 1 26 26 GLU H H 1 8.197 0.020 . 1 . . . . A 26 GLU H . 34771 1 279 . 1 . 1 26 26 GLU HA H 1 3.830 0.020 . 1 . . . . A 26 GLU HA . 34771 1 280 . 1 . 1 26 26 GLU HB2 H 1 1.458 0.020 . 2 . . . . A 26 GLU HB2 . 34771 1 281 . 1 . 1 26 26 GLU HB3 H 1 1.770 0.020 . 2 . . . . A 26 GLU HB3 . 34771 1 282 . 1 . 1 26 26 GLU HG2 H 1 1.742 0.020 . 2 . . . . A 26 GLU HG2 . 34771 1 283 . 1 . 1 26 26 GLU HG3 H 1 1.742 0.020 . 2 . . . . A 26 GLU HG3 . 34771 1 284 . 1 . 1 26 26 GLU C C 13 179.108 0.400 . 1 . . . . A 26 GLU C . 34771 1 285 . 1 . 1 26 26 GLU CA C 13 59.002 0.400 . 1 . . . . A 26 GLU CA . 34771 1 286 . 1 . 1 26 26 GLU CB C 13 28.713 0.400 . 1 . . . . A 26 GLU CB . 34771 1 287 . 1 . 1 26 26 GLU CG C 13 34.613 0.400 . 1 . . . . A 26 GLU CG . 34771 1 288 . 1 . 1 26 26 GLU N N 15 119.795 0.400 . 1 . . . . A 26 GLU N . 34771 1 289 . 1 . 1 27 27 CYS H H 1 8.873 0.020 . 1 . . . . A 27 CYS H . 34771 1 290 . 1 . 1 27 27 CYS HA H 1 4.080 0.020 . 1 . . . . A 27 CYS HA . 34771 1 291 . 1 . 1 27 27 CYS HB2 H 1 2.569 0.020 . 2 . . . . A 27 CYS HB2 . 34771 1 292 . 1 . 1 27 27 CYS HB3 H 1 2.569 0.020 . 2 . . . . A 27 CYS HB3 . 34771 1 293 . 1 . 1 27 27 CYS C C 13 177.548 0.400 . 1 . . . . A 27 CYS C . 34771 1 294 . 1 . 1 27 27 CYS CA C 13 58.757 0.400 . 1 . . . . A 27 CYS CA . 34771 1 295 . 1 . 1 27 27 CYS CB C 13 35.710 0.400 . 1 . . . . A 27 CYS CB . 34771 1 296 . 1 . 1 27 27 CYS N N 15 116.032 0.400 . 1 . . . . A 27 CYS N . 34771 1 297 . 1 . 1 28 28 THR H H 1 8.225 0.020 . 1 . . . . A 28 THR H . 34771 1 298 . 1 . 1 28 28 THR HA H 1 4.300 0.020 . 1 . . . . A 28 THR HA . 34771 1 299 . 1 . 1 28 28 THR HB H 1 4.203 0.020 . 1 . . . . A 28 THR HB . 34771 1 300 . 1 . 1 28 28 THR HG21 H 1 1.161 0.020 . 1 . . . . A 28 THR HG21 . 34771 1 301 . 1 . 1 28 28 THR HG22 H 1 1.161 0.020 . 1 . . . . A 28 THR HG22 . 34771 1 302 . 1 . 1 28 28 THR HG23 H 1 1.161 0.020 . 1 . . . . A 28 THR HG23 . 34771 1 303 . 1 . 1 28 28 THR C C 13 179.702 0.400 . 1 . . . . A 28 THR C . 34771 1 304 . 1 . 1 28 28 THR CA C 13 65.407 0.400 . 1 . . . . A 28 THR CA . 34771 1 305 . 1 . 1 28 28 THR CB C 13 69.159 0.400 . 1 . . . . A 28 THR CB . 34771 1 306 . 1 . 1 28 28 THR CG2 C 13 21.320 0.400 . 1 . . . . A 28 THR CG2 . 34771 1 307 . 1 . 1 28 28 THR N N 15 113.606 0.400 . 1 . . . . A 28 THR N . 34771 1 308 . 1 . 1 29 29 LYS H H 1 8.437 0.020 . 1 . . . . A 29 LYS H . 34771 1 309 . 1 . 1 29 29 LYS HA H 1 4.135 0.020 . 1 . . . . A 29 LYS HA . 34771 1 310 . 1 . 1 29 29 LYS HB2 H 1 2.000 0.020 . 2 . . . . A 29 LYS HB2 . 34771 1 311 . 1 . 1 29 29 LYS HB3 H 1 1.824 0.020 . 2 . . . . A 29 LYS HB3 . 34771 1 312 . 1 . 1 29 29 LYS HG2 H 1 1.471 0.020 . 2 . . . . A 29 LYS HG2 . 34771 1 313 . 1 . 1 29 29 LYS HG3 H 1 1.471 0.020 . 2 . . . . A 29 LYS HG3 . 34771 1 314 . 1 . 1 29 29 LYS HD2 H 1 1.612 0.020 . 2 . . . . A 29 LYS HD2 . 34771 1 315 . 1 . 1 29 29 LYS HD3 H 1 1.612 0.020 . 2 . . . . A 29 LYS HD3 . 34771 1 316 . 1 . 1 29 29 LYS HE2 H 1 2.876 0.020 . 2 . . . . A 29 LYS HE2 . 34771 1 317 . 1 . 1 29 29 LYS HE3 H 1 2.876 0.020 . 2 . . . . A 29 LYS HE3 . 34771 1 318 . 1 . 1 29 29 LYS C C 13 177.298 0.400 . 1 . . . . A 29 LYS C . 34771 1 319 . 1 . 1 29 29 LYS CA C 13 59.333 0.400 . 1 . . . . A 29 LYS CA . 34771 1 320 . 1 . 1 29 29 LYS CB C 13 31.811 0.400 . 1 . . . . A 29 LYS CB . 34771 1 321 . 1 . 1 29 29 LYS CG C 13 24.623 0.400 . 1 . . . . A 29 LYS CG . 34771 1 322 . 1 . 1 29 29 LYS CD C 13 29.518 0.400 . 1 . . . . A 29 LYS CD . 34771 1 323 . 1 . 1 29 29 LYS CE C 13 41.615 0.400 . 1 . . . . A 29 LYS CE . 34771 1 324 . 1 . 1 29 29 LYS N N 15 126.090 0.400 . 1 . . . . A 29 LYS N . 34771 1 325 . 1 . 1 30 30 ASN H H 1 6.977 0.020 . 1 . . . . A 30 ASN H . 34771 1 326 . 1 . 1 30 30 ASN HA H 1 4.680 0.020 . 1 . . . . A 30 ASN HA . 34771 1 327 . 1 . 1 30 30 ASN HB2 H 1 2.414 0.020 . 2 . . . . A 30 ASN HB2 . 34771 1 328 . 1 . 1 30 30 ASN HB3 H 1 3.052 0.020 . 2 . . . . A 30 ASN HB3 . 34771 1 329 . 1 . 1 30 30 ASN HD21 H 1 7.682 0.020 . 2 . . . . A 30 ASN HD21 . 34771 1 330 . 1 . 1 30 30 ASN HD22 H 1 7.442 0.020 . 2 . . . . A 30 ASN HD22 . 34771 1 331 . 1 . 1 30 30 ASN C C 13 173.590 0.400 . 1 . . . . A 30 ASN C . 34771 1 332 . 1 . 1 30 30 ASN CA C 13 53.921 0.400 . 1 . . . . A 30 ASN CA . 34771 1 333 . 1 . 1 30 30 ASN CB C 13 40.947 0.400 . 1 . . . . A 30 ASN CB . 34771 1 334 . 1 . 1 30 30 ASN N N 15 114.633 0.400 . 1 . . . . A 30 ASN N . 34771 1 335 . 1 . 1 30 30 ASN ND2 N 15 117.176 0.400 . 1 . . . . A 30 ASN ND2 . 34771 1 336 . 1 . 1 31 31 GLY H H 1 7.774 0.020 . 1 . . . . A 31 GLY H . 34771 1 337 . 1 . 1 31 31 GLY HA2 H 1 3.770 0.020 . 2 . . . . A 31 GLY HA2 . 34771 1 338 . 1 . 1 31 31 GLY HA3 H 1 4.176 0.020 . 2 . . . . A 31 GLY HA3 . 34771 1 339 . 1 . 1 31 31 GLY C C 13 174.242 0.400 . 1 . . . . A 31 GLY C . 34771 1 340 . 1 . 1 31 31 GLY CA C 13 45.396 0.400 . 1 . . . . A 31 GLY CA . 34771 1 341 . 1 . 1 31 31 GLY N N 15 105.011 0.400 . 1 . . . . A 31 GLY N . 34771 1 342 . 1 . 1 32 32 ALA H H 1 7.819 0.020 . 1 . . . . A 32 ALA H . 34771 1 343 . 1 . 1 32 32 ALA HA H 1 4.713 0.020 . 1 . . . . A 32 ALA HA . 34771 1 344 . 1 . 1 32 32 ALA HB1 H 1 1.220 0.020 . 1 . . . . A 32 ALA HB1 . 34771 1 345 . 1 . 1 32 32 ALA HB2 H 1 1.220 0.020 . 1 . . . . A 32 ALA HB2 . 34771 1 346 . 1 . 1 32 32 ALA HB3 H 1 1.220 0.020 . 1 . . . . A 32 ALA HB3 . 34771 1 347 . 1 . 1 32 32 ALA C C 13 175.632 0.400 . 1 . . . . A 32 ALA C . 34771 1 348 . 1 . 1 32 32 ALA CA C 13 50.492 0.400 . 1 . . . . A 32 ALA CA . 34771 1 349 . 1 . 1 32 32 ALA CB C 13 19.739 0.400 . 1 . . . . A 32 ALA CB . 34771 1 350 . 1 . 1 32 32 ALA N N 15 120.589 0.400 . 1 . . . . A 32 ALA N . 34771 1 351 . 1 . 1 33 33 GLU H H 1 8.172 0.020 . 1 . . . . A 33 GLU H . 34771 1 352 . 1 . 1 33 33 GLU HA H 1 4.078 0.020 . 1 . . . . A 33 GLU HA . 34771 1 353 . 1 . 1 33 33 GLU HB2 H 1 2.016 0.020 . 2 . . . . A 33 GLU HB2 . 34771 1 354 . 1 . 1 33 33 GLU HB3 H 1 1.867 0.020 . 2 . . . . A 33 GLU HB3 . 34771 1 355 . 1 . 1 33 33 GLU HG2 H 1 2.148 0.020 . 2 . . . . A 33 GLU HG2 . 34771 1 356 . 1 . 1 33 33 GLU HG3 H 1 2.295 0.020 . 2 . . . . A 33 GLU HG3 . 34771 1 357 . 1 . 1 33 33 GLU C C 13 176.617 0.400 . 1 . . . . A 33 GLU C . 34771 1 358 . 1 . 1 33 33 GLU CA C 13 58.841 0.400 . 1 . . . . A 33 GLU CA . 34771 1 359 . 1 . 1 33 33 GLU CB C 13 31.812 0.400 . 1 . . . . A 33 GLU CB . 34771 1 360 . 1 . 1 33 33 GLU CG C 13 36.807 0.400 . 1 . . . . A 33 GLU CG . 34771 1 361 . 1 . 1 33 33 GLU N N 15 119.089 0.400 . 1 . . . . A 33 GLU N . 34771 1 362 . 1 . 1 34 34 SER H H 1 7.580 0.020 . 1 . . . . A 34 SER H . 34771 1 363 . 1 . 1 34 34 SER HA H 1 4.514 0.020 . 1 . . . . A 34 SER HA . 34771 1 364 . 1 . 1 34 34 SER HB2 H 1 4.076 0.020 . 2 . . . . A 34 SER HB2 . 34771 1 365 . 1 . 1 34 34 SER HB3 H 1 3.993 0.020 . 2 . . . . A 34 SER HB3 . 34771 1 366 . 1 . 1 34 34 SER C C 13 173.083 0.400 . 1 . . . . A 34 SER C . 34771 1 367 . 1 . 1 34 34 SER CA C 13 57.316 0.400 . 1 . . . . A 34 SER CA . 34771 1 368 . 1 . 1 34 34 SER CB C 13 63.914 0.400 . 1 . . . . A 34 SER CB . 34771 1 369 . 1 . 1 34 34 SER N N 15 106.551 0.400 . 1 . . . . A 34 SER N . 34771 1 370 . 1 . 1 35 35 GLY H H 1 8.438 0.020 . 1 . . . . A 35 GLY H . 34771 1 371 . 1 . 1 35 35 GLY HA2 H 1 4.748 0.020 . 2 . . . . A 35 GLY HA2 . 34771 1 372 . 1 . 1 35 35 GLY HA3 H 1 4.403 0.020 . 2 . . . . A 35 GLY HA3 . 34771 1 373 . 1 . 1 35 35 GLY C C 13 170.186 0.400 . 1 . . . . A 35 GLY C . 34771 1 374 . 1 . 1 35 35 GLY CA C 13 46.881 0.400 . 1 . . . . A 35 GLY CA . 34771 1 375 . 1 . 1 35 35 GLY N N 15 105.509 0.400 . 1 . . . . A 35 GLY N . 34771 1 376 . 1 . 1 36 36 TYR H H 1 8.838 0.020 . 1 . . . . A 36 TYR H . 34771 1 377 . 1 . 1 36 36 TYR HA H 1 4.924 0.020 . 1 . . . . A 36 TYR HA . 34771 1 378 . 1 . 1 36 36 TYR HB2 H 1 3.129 0.020 . 2 . . . . A 36 TYR HB2 . 34771 1 379 . 1 . 1 36 36 TYR HB3 H 1 3.129 0.020 . 2 . . . . A 36 TYR HB3 . 34771 1 380 . 1 . 1 36 36 TYR HD1 H 1 6.983 0.020 . 1 . . . . A 36 TYR HD1 . 34771 1 381 . 1 . 1 36 36 TYR HD2 H 1 6.983 0.020 . 1 . . . . A 36 TYR HD2 . 34771 1 382 . 1 . 1 36 36 TYR HE1 H 1 6.768 0.020 . 1 . . . . A 36 TYR HE1 . 34771 1 383 . 1 . 1 36 36 TYR HE2 H 1 6.768 0.020 . 1 . . . . A 36 TYR HE2 . 34771 1 384 . 1 . 1 36 36 TYR C C 13 172.084 0.400 . 1 . . . . A 36 TYR C . 34771 1 385 . 1 . 1 36 36 TYR CA C 13 56.565 0.400 . 1 . . . . A 36 TYR CA . 34771 1 386 . 1 . 1 36 36 TYR CB C 13 39.202 0.400 . 1 . . . . A 36 TYR CB . 34771 1 387 . 1 . 1 36 36 TYR CD1 C 13 133.706 0.400 . 3 . . . . A 36 TYR CD1 . 34771 1 388 . 1 . 1 36 36 TYR CE1 C 13 117.990 0.400 . 3 . . . . A 36 TYR CE1 . 34771 1 389 . 1 . 1 36 36 TYR N N 15 113.138 0.400 . 1 . . . . A 36 TYR N . 34771 1 390 . 1 . 1 37 37 CYS H H 1 9.566 0.020 . 1 . . . . A 37 CYS H . 34771 1 391 . 1 . 1 37 37 CYS HA H 1 5.127 0.020 . 1 . . . . A 37 CYS HA . 34771 1 392 . 1 . 1 37 37 CYS HB2 H 1 3.072 0.020 . 2 . . . . A 37 CYS HB2 . 34771 1 393 . 1 . 1 37 37 CYS HB3 H 1 2.637 0.020 . 2 . . . . A 37 CYS HB3 . 34771 1 394 . 1 . 1 37 37 CYS C C 13 172.257 0.400 . 1 . . . . A 37 CYS C . 34771 1 395 . 1 . 1 37 37 CYS CA C 13 54.875 0.400 . 1 . . . . A 37 CYS CA . 34771 1 396 . 1 . 1 37 37 CYS CB C 13 37.479 0.400 . 1 . . . . A 37 CYS CB . 34771 1 397 . 1 . 1 37 37 CYS N N 15 121.730 0.400 . 1 . . . . A 37 CYS N . 34771 1 398 . 1 . 1 38 38 GLN H H 1 9.060 0.020 . 1 . . . . A 38 GLN H . 34771 1 399 . 1 . 1 38 38 GLN HA H 1 4.827 0.020 . 1 . . . . A 38 GLN HA . 34771 1 400 . 1 . 1 38 38 GLN HB2 H 1 2.600 0.020 . 2 . . . . A 38 GLN HB2 . 34771 1 401 . 1 . 1 38 38 GLN HB3 H 1 2.010 0.020 . 2 . . . . A 38 GLN HB3 . 34771 1 402 . 1 . 1 38 38 GLN HG2 H 1 2.332 0.020 . 2 . . . . A 38 GLN HG2 . 34771 1 403 . 1 . 1 38 38 GLN HG3 H 1 2.441 0.020 . 2 . . . . A 38 GLN HG3 . 34771 1 404 . 1 . 1 38 38 GLN HE21 H 1 7.164 0.020 . 2 . . . . A 38 GLN HE21 . 34771 1 405 . 1 . 1 38 38 GLN HE22 H 1 6.228 0.020 . 2 . . . . A 38 GLN HE22 . 34771 1 406 . 1 . 1 38 38 GLN C C 13 174.060 0.400 . 1 . . . . A 38 GLN C . 34771 1 407 . 1 . 1 38 38 GLN CA C 13 54.687 0.400 . 1 . . . . A 38 GLN CA . 34771 1 408 . 1 . 1 38 38 GLN CB C 13 31.377 0.400 . 1 . . . . A 38 GLN CB . 34771 1 409 . 1 . 1 38 38 GLN CG C 13 34.197 0.400 . 1 . . . . A 38 GLN CG . 34771 1 410 . 1 . 1 38 38 GLN N N 15 131.173 0.400 . 1 . . . . A 38 GLN N . 34771 1 411 . 1 . 1 38 38 GLN NE2 N 15 111.706 0.400 . 1 . . . . A 38 GLN NE2 . 34771 1 412 . 1 . 1 39 39 TRP H H 1 8.350 0.020 . 1 . . . . A 39 TRP H . 34771 1 413 . 1 . 1 39 39 TRP HA H 1 4.644 0.020 . 1 . . . . A 39 TRP HA . 34771 1 414 . 1 . 1 39 39 TRP HB2 H 1 3.258 0.020 . 2 . . . . A 39 TRP HB2 . 34771 1 415 . 1 . 1 39 39 TRP HB3 H 1 3.175 0.020 . 2 . . . . A 39 TRP HB3 . 34771 1 416 . 1 . 1 39 39 TRP HD1 H 1 7.335 0.020 . 1 . . . . A 39 TRP HD1 . 34771 1 417 . 1 . 1 39 39 TRP HE1 H 1 10.080 0.020 . 1 . . . . A 39 TRP HE1 . 34771 1 418 . 1 . 1 39 39 TRP HE3 H 1 7.634 0.020 . 1 . . . . A 39 TRP HE3 . 34771 1 419 . 1 . 1 39 39 TRP HZ2 H 1 7.382 0.020 . 1 . . . . A 39 TRP HZ2 . 34771 1 420 . 1 . 1 39 39 TRP HZ3 H 1 7.130 0.020 . 1 . . . . A 39 TRP HZ3 . 34771 1 421 . 1 . 1 39 39 TRP HH2 H 1 7.120 0.020 . 1 . . . . A 39 TRP HH2 . 34771 1 422 . 1 . 1 39 39 TRP C C 13 176.530 0.400 . 1 . . . . A 39 TRP C . 34771 1 423 . 1 . 1 39 39 TRP CA C 13 58.356 0.400 . 1 . . . . A 39 TRP CA . 34771 1 424 . 1 . 1 39 39 TRP CB C 13 29.532 0.400 . 1 . . . . A 39 TRP CB . 34771 1 425 . 1 . 1 39 39 TRP CD1 C 13 127.790 0.400 . 1 . . . . A 39 TRP CD1 . 34771 1 426 . 1 . 1 39 39 TRP CE3 C 13 121.102 0.400 . 1 . . . . A 39 TRP CE3 . 34771 1 427 . 1 . 1 39 39 TRP CZ2 C 13 114.016 0.400 . 1 . . . . A 39 TRP CZ2 . 34771 1 428 . 1 . 1 39 39 TRP CZ3 C 13 122.058 0.400 . 1 . . . . A 39 TRP CZ3 . 34771 1 429 . 1 . 1 39 39 TRP CH2 C 13 124.176 0.400 . 1 . . . . A 39 TRP CH2 . 34771 1 430 . 1 . 1 39 39 TRP N N 15 126.958 0.400 . 1 . . . . A 39 TRP N . 34771 1 431 . 1 . 1 39 39 TRP NE1 N 15 129.388 0.400 . 1 . . . . A 39 TRP NE1 . 34771 1 432 . 1 . 1 40 40 LEU H H 1 8.800 0.020 . 1 . . . . A 40 LEU H . 34771 1 433 . 1 . 1 40 40 LEU HA H 1 4.197 0.020 . 1 . . . . A 40 LEU HA . 34771 1 434 . 1 . 1 40 40 LEU HB2 H 1 1.660 0.020 . 2 . . . . A 40 LEU HB2 . 34771 1 435 . 1 . 1 40 40 LEU HB3 H 1 1.569 0.020 . 2 . . . . A 40 LEU HB3 . 34771 1 436 . 1 . 1 40 40 LEU HG H 1 1.565 0.020 . 1 . . . . A 40 LEU HG . 34771 1 437 . 1 . 1 40 40 LEU HD11 H 1 0.757 0.020 . 2 . . . . A 40 LEU HD11 . 34771 1 438 . 1 . 1 40 40 LEU HD12 H 1 0.757 0.020 . 2 . . . . A 40 LEU HD12 . 34771 1 439 . 1 . 1 40 40 LEU HD13 H 1 0.757 0.020 . 2 . . . . A 40 LEU HD13 . 34771 1 440 . 1 . 1 40 40 LEU HD21 H 1 0.685 0.020 . 2 . . . . A 40 LEU HD21 . 34771 1 441 . 1 . 1 40 40 LEU HD22 H 1 0.685 0.020 . 2 . . . . A 40 LEU HD22 . 34771 1 442 . 1 . 1 40 40 LEU HD23 H 1 0.685 0.020 . 2 . . . . A 40 LEU HD23 . 34771 1 443 . 1 . 1 40 40 LEU CA C 13 54.608 0.400 . 1 . . . . A 40 LEU CA . 34771 1 444 . 1 . 1 40 40 LEU CB C 13 41.297 0.400 . 1 . . . . A 40 LEU CB . 34771 1 445 . 1 . 1 40 40 LEU CG C 13 26.999 0.400 . 1 . . . . A 40 LEU CG . 34771 1 446 . 1 . 1 40 40 LEU CD1 C 13 24.655 0.400 . 2 . . . . A 40 LEU CD1 . 34771 1 447 . 1 . 1 40 40 LEU CD2 C 13 23.689 0.400 . 2 . . . . A 40 LEU CD2 . 34771 1 448 . 1 . 1 41 41 GLY H H 1 7.138 0.020 . 1 . . . . A 41 GLY H . 34771 1 449 . 1 . 1 41 41 GLY HA2 H 1 3.839 0.020 . 2 . . . . A 41 GLY HA2 . 34771 1 450 . 1 . 1 41 41 GLY CA C 13 45.354 0.400 . 1 . . . . A 41 GLY CA . 34771 1 451 . 1 . 1 42 42 LYS H H 1 8.319 0.020 . 1 . . . . A 42 LYS H . 34771 1 452 . 1 . 1 42 42 LYS HA H 1 3.900 0.020 . 1 . . . . A 42 LYS HA . 34771 1 453 . 1 . 1 42 42 LYS HB2 H 1 1.598 0.020 . 2 . . . . A 42 LYS HB2 . 34771 1 454 . 1 . 1 42 42 LYS HB3 H 1 1.371 0.020 . 2 . . . . A 42 LYS HB3 . 34771 1 455 . 1 . 1 42 42 LYS HG2 H 1 0.842 0.020 . 2 . . . . A 42 LYS HG2 . 34771 1 456 . 1 . 1 42 42 LYS HG3 H 1 0.842 0.020 . 2 . . . . A 42 LYS HG3 . 34771 1 457 . 1 . 1 42 42 LYS HD2 H 1 1.506 0.020 . 2 . . . . A 42 LYS HD2 . 34771 1 458 . 1 . 1 42 42 LYS HD3 H 1 1.506 0.020 . 2 . . . . A 42 LYS HD3 . 34771 1 459 . 1 . 1 42 42 LYS HE2 H 1 2.866 0.020 . 2 . . . . A 42 LYS HE2 . 34771 1 460 . 1 . 1 42 42 LYS HE3 H 1 2.866 0.020 . 2 . . . . A 42 LYS HE3 . 34771 1 461 . 1 . 1 42 42 LYS C C 13 176.588 0.400 . 1 . . . . A 42 LYS C . 34771 1 462 . 1 . 1 42 42 LYS CA C 13 58.313 0.400 . 1 . . . . A 42 LYS CA . 34771 1 463 . 1 . 1 42 42 LYS CB C 13 32.093 0.400 . 1 . . . . A 42 LYS CB . 34771 1 464 . 1 . 1 42 42 LYS CG C 13 23.866 0.400 . 1 . . . . A 42 LYS CG . 34771 1 465 . 1 . 1 42 42 LYS CD C 13 29.058 0.400 . 1 . . . . A 42 LYS CD . 34771 1 466 . 1 . 1 42 42 LYS CE C 13 41.822 0.400 . 1 . . . . A 42 LYS CE . 34771 1 467 . 1 . 1 42 42 LYS N N 15 121.448 0.400 . 1 . . . . A 42 LYS N . 34771 1 468 . 1 . 1 43 43 TYR H H 1 8.055 0.020 . 1 . . . . A 43 TYR H . 34771 1 469 . 1 . 1 43 43 TYR HA H 1 4.572 0.020 . 1 . . . . A 43 TYR HA . 34771 1 470 . 1 . 1 43 43 TYR HB2 H 1 3.097 0.020 . 2 . . . . A 43 TYR HB2 . 34771 1 471 . 1 . 1 43 43 TYR HB3 H 1 2.368 0.020 . 2 . . . . A 43 TYR HB3 . 34771 1 472 . 1 . 1 43 43 TYR HD1 H 1 6.711 0.020 . 1 . . . . A 43 TYR HD1 . 34771 1 473 . 1 . 1 43 43 TYR HD2 H 1 6.711 0.020 . 1 . . . . A 43 TYR HD2 . 34771 1 474 . 1 . 1 43 43 TYR HE1 H 1 6.726 0.020 . 1 . . . . A 43 TYR HE1 . 34771 1 475 . 1 . 1 43 43 TYR HE2 H 1 6.726 0.020 . 1 . . . . A 43 TYR HE2 . 34771 1 476 . 1 . 1 43 43 TYR C C 13 175.299 0.400 . 1 . . . . A 43 TYR C . 34771 1 477 . 1 . 1 43 43 TYR CA C 13 56.978 0.400 . 1 . . . . A 43 TYR CA . 34771 1 478 . 1 . 1 43 43 TYR CB C 13 38.395 0.400 . 1 . . . . A 43 TYR CB . 34771 1 479 . 1 . 1 43 43 TYR CD1 C 13 132.663 0.400 . 3 . . . . A 43 TYR CD1 . 34771 1 480 . 1 . 1 43 43 TYR CE1 C 13 117.990 0.400 . 3 . . . . A 43 TYR CE1 . 34771 1 481 . 1 . 1 43 43 TYR N N 15 116.698 0.400 . 1 . . . . A 43 TYR N . 34771 1 482 . 1 . 1 44 44 GLY H H 1 7.613 0.020 . 1 . . . . A 44 GLY H . 34771 1 483 . 1 . 1 44 44 GLY HA2 H 1 4.124 0.020 . 2 . . . . A 44 GLY HA2 . 34771 1 484 . 1 . 1 44 44 GLY HA3 H 1 3.451 0.020 . 2 . . . . A 44 GLY HA3 . 34771 1 485 . 1 . 1 44 44 GLY C C 13 172.666 0.400 . 1 . . . . A 44 GLY C . 34771 1 486 . 1 . 1 44 44 GLY CA C 13 44.530 0.400 . 1 . . . . A 44 GLY CA . 34771 1 487 . 1 . 1 44 44 GLY N N 15 108.020 0.400 . 1 . . . . A 44 GLY N . 34771 1 488 . 1 . 1 45 45 ASN H H 1 8.539 0.020 . 1 . . . . A 45 ASN H . 34771 1 489 . 1 . 1 45 45 ASN HA H 1 5.472 0.020 . 1 . . . . A 45 ASN HA . 34771 1 490 . 1 . 1 45 45 ASN HB2 H 1 3.017 0.020 . 2 . . . . A 45 ASN HB2 . 34771 1 491 . 1 . 1 45 45 ASN HB3 H 1 2.712 0.020 . 2 . . . . A 45 ASN HB3 . 34771 1 492 . 1 . 1 45 45 ASN HD21 H 1 7.398 0.020 . 2 . . . . A 45 ASN HD21 . 34771 1 493 . 1 . 1 45 45 ASN HD22 H 1 6.800 0.020 . 2 . . . . A 45 ASN HD22 . 34771 1 494 . 1 . 1 45 45 ASN CA C 13 52.424 0.400 . 1 . . . . A 45 ASN CA . 34771 1 495 . 1 . 1 45 45 ASN CB C 13 38.913 0.400 . 1 . . . . A 45 ASN CB . 34771 1 496 . 1 . 1 45 45 ASN N N 15 122.407 0.400 . 1 . . . . A 45 ASN N . 34771 1 497 . 1 . 1 45 45 ASN ND2 N 15 112.446 0.400 . 1 . . . . A 45 ASN ND2 . 34771 1 498 . 1 . 1 46 46 ALA H H 1 8.770 0.020 . 1 . . . . A 46 ALA H . 34771 1 499 . 1 . 1 46 46 ALA HA H 1 5.397 0.020 . 1 . . . . A 46 ALA HA . 34771 1 500 . 1 . 1 46 46 ALA HB1 H 1 1.342 0.020 . 1 . . . . A 46 ALA HB1 . 34771 1 501 . 1 . 1 46 46 ALA HB2 H 1 1.342 0.020 . 1 . . . . A 46 ALA HB2 . 34771 1 502 . 1 . 1 46 46 ALA HB3 H 1 1.342 0.020 . 1 . . . . A 46 ALA HB3 . 34771 1 503 . 1 . 1 46 46 ALA C C 13 178.094 0.400 . 1 . . . . A 46 ALA C . 34771 1 504 . 1 . 1 46 46 ALA CA C 13 51.221 0.400 . 1 . . . . A 46 ALA CA . 34771 1 505 . 1 . 1 46 46 ALA CB C 13 22.957 0.400 . 1 . . . . A 46 ALA CB . 34771 1 506 . 1 . 1 46 46 ALA N N 15 126.705 0.400 . 1 . . . . A 46 ALA N . 34771 1 507 . 1 . 1 47 47 CYS H H 1 8.343 0.020 . 1 . . . . A 47 CYS H . 34771 1 508 . 1 . 1 47 47 CYS HA H 1 5.390 0.020 . 1 . . . . A 47 CYS HA . 34771 1 509 . 1 . 1 47 47 CYS HB2 H 1 2.750 0.020 . 2 . . . . A 47 CYS HB2 . 34771 1 510 . 1 . 1 47 47 CYS HB3 H 1 2.750 0.020 . 2 . . . . A 47 CYS HB3 . 34771 1 511 . 1 . 1 47 47 CYS C C 13 173.228 0.400 . 1 . . . . A 47 CYS C . 34771 1 512 . 1 . 1 47 47 CYS CA C 13 53.602 0.400 . 1 . . . . A 47 CYS CA . 34771 1 513 . 1 . 1 47 47 CYS CB C 13 34.225 0.400 . 1 . . . . A 47 CYS CB . 34771 1 514 . 1 . 1 47 47 CYS N N 15 116.429 0.400 . 1 . . . . A 47 CYS N . 34771 1 515 . 1 . 1 48 48 TRP H H 1 9.390 0.020 . 1 . . . . A 48 TRP H . 34771 1 516 . 1 . 1 48 48 TRP HA H 1 4.529 0.020 . 1 . . . . A 48 TRP HA . 34771 1 517 . 1 . 1 48 48 TRP HB2 H 1 2.426 0.020 . 2 . . . . A 48 TRP HB2 . 34771 1 518 . 1 . 1 48 48 TRP HB3 H 1 2.524 0.020 . 2 . . . . A 48 TRP HB3 . 34771 1 519 . 1 . 1 48 48 TRP HD1 H 1 6.386 0.020 . 1 . . . . A 48 TRP HD1 . 34771 1 520 . 1 . 1 48 48 TRP HE1 H 1 10.028 0.020 . 1 . . . . A 48 TRP HE1 . 34771 1 521 . 1 . 1 48 48 TRP HE3 H 1 5.482 0.020 . 1 . . . . A 48 TRP HE3 . 34771 1 522 . 1 . 1 48 48 TRP HZ2 H 1 7.256 0.020 . 1 . . . . A 48 TRP HZ2 . 34771 1 523 . 1 . 1 48 48 TRP HZ3 H 1 6.660 0.020 . 1 . . . . A 48 TRP HZ3 . 34771 1 524 . 1 . 1 48 48 TRP HH2 H 1 6.992 0.020 . 1 . . . . A 48 TRP HH2 . 34771 1 525 . 1 . 1 48 48 TRP C C 13 173.503 0.400 . 1 . . . . A 48 TRP C . 34771 1 526 . 1 . 1 48 48 TRP CA C 13 55.854 0.400 . 1 . . . . A 48 TRP CA . 34771 1 527 . 1 . 1 48 48 TRP CB C 13 31.511 0.400 . 1 . . . . A 48 TRP CB . 34771 1 528 . 1 . 1 48 48 TRP CD1 C 13 128.051 0.400 . 1 . . . . A 48 TRP CD1 . 34771 1 529 . 1 . 1 48 48 TRP CZ2 C 13 113.809 0.400 . 1 . . . . A 48 TRP CZ2 . 34771 1 530 . 1 . 1 48 48 TRP CZ3 C 13 121.833 0.400 . 1 . . . . A 48 TRP CZ3 . 34771 1 531 . 1 . 1 48 48 TRP CH2 C 13 123.614 0.400 . 1 . . . . A 48 TRP CH2 . 34771 1 532 . 1 . 1 48 48 TRP N N 15 129.043 0.400 . 1 . . . . A 48 TRP N . 34771 1 533 . 1 . 1 48 48 TRP NE1 N 15 128.124 0.400 . 1 . . . . A 48 TRP NE1 . 34771 1 534 . 1 . 1 49 49 CYS H H 1 8.224 0.020 . 1 . . . . A 49 CYS H . 34771 1 535 . 1 . 1 49 49 CYS HA H 1 5.217 0.020 . 1 . . . . A 49 CYS HA . 34771 1 536 . 1 . 1 49 49 CYS HB2 H 1 2.389 0.020 . 2 . . . . A 49 CYS HB2 . 34771 1 537 . 1 . 1 49 49 CYS HB3 H 1 2.779 0.020 . 2 . . . . A 49 CYS HB3 . 34771 1 538 . 1 . 1 49 49 CYS C C 13 171.953 0.400 . 1 . . . . A 49 CYS C . 34771 1 539 . 1 . 1 49 49 CYS CA C 13 50.274 0.400 . 1 . . . . A 49 CYS CA . 34771 1 540 . 1 . 1 49 49 CYS CB C 13 38.624 0.400 . 1 . . . . A 49 CYS CB . 34771 1 541 . 1 . 1 49 49 CYS N N 15 120.727 0.400 . 1 . . . . A 49 CYS N . 34771 1 542 . 1 . 1 50 50 ILE H H 1 8.201 0.020 . 1 . . . . A 50 ILE H . 34771 1 543 . 1 . 1 50 50 ILE HA H 1 4.037 0.020 . 1 . . . . A 50 ILE HA . 34771 1 544 . 1 . 1 50 50 ILE HB H 1 1.922 0.020 . 1 . . . . A 50 ILE HB . 34771 1 545 . 1 . 1 50 50 ILE HG12 H 1 1.364 0.020 . 2 . . . . A 50 ILE HG12 . 34771 1 546 . 1 . 1 50 50 ILE HG13 H 1 1.364 0.020 . 2 . . . . A 50 ILE HG13 . 34771 1 547 . 1 . 1 50 50 ILE HG21 H 1 0.901 0.020 . 1 . . . . A 50 ILE HG21 . 34771 1 548 . 1 . 1 50 50 ILE HG22 H 1 0.901 0.020 . 1 . . . . A 50 ILE HG22 . 34771 1 549 . 1 . 1 50 50 ILE HG23 H 1 0.901 0.020 . 1 . . . . A 50 ILE HG23 . 34771 1 550 . 1 . 1 50 50 ILE HD11 H 1 0.922 0.020 . 1 . . . . A 50 ILE HD11 . 34771 1 551 . 1 . 1 50 50 ILE HD12 H 1 0.922 0.020 . 1 . . . . A 50 ILE HD12 . 34771 1 552 . 1 . 1 50 50 ILE HD13 H 1 0.922 0.020 . 1 . . . . A 50 ILE HD13 . 34771 1 553 . 1 . 1 50 50 ILE C C 13 175.690 0.400 . 1 . . . . A 50 ILE C . 34771 1 554 . 1 . 1 50 50 ILE CA C 13 57.874 0.400 . 1 . . . . A 50 ILE CA . 34771 1 555 . 1 . 1 50 50 ILE CB C 13 36.772 0.400 . 1 . . . . A 50 ILE CB . 34771 1 556 . 1 . 1 50 50 ILE CG1 C 13 27.774 0.400 . 1 . . . . A 50 ILE CG1 . 34771 1 557 . 1 . 1 50 50 ILE CG2 C 13 17.580 0.400 . 1 . . . . A 50 ILE CG2 . 34771 1 558 . 1 . 1 50 50 ILE CD1 C 13 11.408 0.400 . 1 . . . . A 50 ILE CD1 . 34771 1 559 . 1 . 1 50 50 ILE N N 15 120.940 0.400 . 1 . . . . A 50 ILE N . 34771 1 560 . 1 . 1 51 51 LYS H H 1 9.492 0.020 . 1 . . . . A 51 LYS H . 34771 1 561 . 1 . 1 51 51 LYS HA H 1 3.131 0.020 . 1 . . . . A 51 LYS HA . 34771 1 562 . 1 . 1 51 51 LYS HB2 H 1 1.652 0.020 . 2 . . . . A 51 LYS HB2 . 34771 1 563 . 1 . 1 51 51 LYS HB3 H 1 1.918 0.020 . 2 . . . . A 51 LYS HB3 . 34771 1 564 . 1 . 1 51 51 LYS HG2 H 1 1.491 0.020 . 2 . . . . A 51 LYS HG2 . 34771 1 565 . 1 . 1 51 51 LYS HG3 H 1 1.202 0.020 . 2 . . . . A 51 LYS HG3 . 34771 1 566 . 1 . 1 51 51 LYS HD2 H 1 1.543 0.020 . 2 . . . . A 51 LYS HD2 . 34771 1 567 . 1 . 1 51 51 LYS HD3 H 1 1.543 0.020 . 2 . . . . A 51 LYS HD3 . 34771 1 568 . 1 . 1 51 51 LYS HE2 H 1 2.977 0.020 . 2 . . . . A 51 LYS HE2 . 34771 1 569 . 1 . 1 51 51 LYS HE3 H 1 2.912 0.020 . 2 . . . . A 51 LYS HE3 . 34771 1 570 . 1 . 1 51 51 LYS C C 13 174.531 0.400 . 1 . . . . A 51 LYS C . 34771 1 571 . 1 . 1 51 51 LYS CA C 13 57.890 0.400 . 1 . . . . A 51 LYS CA . 34771 1 572 . 1 . 1 51 51 LYS CB C 13 29.522 0.400 . 1 . . . . A 51 LYS CB . 34771 1 573 . 1 . 1 51 51 LYS CG C 13 25.649 0.400 . 1 . . . . A 51 LYS CG . 34771 1 574 . 1 . 1 51 51 LYS CD C 13 29.452 0.400 . 1 . . . . A 51 LYS CD . 34771 1 575 . 1 . 1 51 51 LYS CE C 13 42.229 0.400 . 1 . . . . A 51 LYS CE . 34771 1 576 . 1 . 1 51 51 LYS N N 15 124.090 0.400 . 1 . . . . A 51 LYS N . 34771 1 577 . 1 . 1 52 52 LEU H H 1 8.583 0.020 . 1 . . . . A 52 LEU H . 34771 1 578 . 1 . 1 52 52 LEU HA H 1 4.186 0.020 . 1 . . . . A 52 LEU HA . 34771 1 579 . 1 . 1 52 52 LEU HB2 H 1 0.964 0.020 . 2 . . . . A 52 LEU HB2 . 34771 1 580 . 1 . 1 52 52 LEU HB3 H 1 1.932 0.020 . 2 . . . . A 52 LEU HB3 . 34771 1 581 . 1 . 1 52 52 LEU HG H 1 1.567 0.020 . 1 . . . . A 52 LEU HG . 34771 1 582 . 1 . 1 52 52 LEU HD11 H 1 0.851 0.020 . 2 . . . . A 52 LEU HD11 . 34771 1 583 . 1 . 1 52 52 LEU HD12 H 1 0.851 0.020 . 2 . . . . A 52 LEU HD12 . 34771 1 584 . 1 . 1 52 52 LEU HD13 H 1 0.851 0.020 . 2 . . . . A 52 LEU HD13 . 34771 1 585 . 1 . 1 52 52 LEU HD21 H 1 0.575 0.020 . 2 . . . . A 52 LEU HD21 . 34771 1 586 . 1 . 1 52 52 LEU HD22 H 1 0.575 0.020 . 2 . . . . A 52 LEU HD22 . 34771 1 587 . 1 . 1 52 52 LEU HD23 H 1 0.575 0.020 . 2 . . . . A 52 LEU HD23 . 34771 1 588 . 1 . 1 52 52 LEU C C 13 175.183 0.400 . 1 . . . . A 52 LEU C . 34771 1 589 . 1 . 1 52 52 LEU CA C 13 52.433 0.400 . 1 . . . . A 52 LEU CA . 34771 1 590 . 1 . 1 52 52 LEU CB C 13 43.999 0.400 . 1 . . . . A 52 LEU CB . 34771 1 591 . 1 . 1 52 52 LEU CG C 13 26.022 0.400 . 1 . . . . A 52 LEU CG . 34771 1 592 . 1 . 1 52 52 LEU CD1 C 13 25.295 0.400 . 2 . . . . A 52 LEU CD1 . 34771 1 593 . 1 . 1 52 52 LEU CD2 C 13 25.993 0.400 . 2 . . . . A 52 LEU CD2 . 34771 1 594 . 1 . 1 52 52 LEU N N 15 123.125 0.400 . 1 . . . . A 52 LEU N . 34771 1 595 . 1 . 1 53 53 PRO HA H 1 4.618 0.020 . 1 . . . . A 53 PRO HA . 34771 1 596 . 1 . 1 53 53 PRO HB2 H 1 2.566 0.020 . 2 . . . . A 53 PRO HB2 . 34771 1 597 . 1 . 1 53 53 PRO HB3 H 1 1.960 0.020 . 2 . . . . A 53 PRO HB3 . 34771 1 598 . 1 . 1 53 53 PRO HG2 H 1 1.968 0.020 . 2 . . . . A 53 PRO HG2 . 34771 1 599 . 1 . 1 53 53 PRO HG3 H 1 2.221 0.020 . 2 . . . . A 53 PRO HG3 . 34771 1 600 . 1 . 1 53 53 PRO HD2 H 1 3.607 0.020 . 2 . . . . A 53 PRO HD2 . 34771 1 601 . 1 . 1 53 53 PRO HD3 H 1 3.897 0.020 . 2 . . . . A 53 PRO HD3 . 34771 1 602 . 1 . 1 53 53 PRO C C 13 177.705 0.400 . 1 . . . . A 53 PRO C . 34771 1 603 . 1 . 1 53 53 PRO CA C 13 63.698 0.400 . 1 . . . . A 53 PRO CA . 34771 1 604 . 1 . 1 53 53 PRO CB C 13 32.736 0.400 . 1 . . . . A 53 PRO CB . 34771 1 605 . 1 . 1 53 53 PRO CG C 13 28.323 0.400 . 1 . . . . A 53 PRO CG . 34771 1 606 . 1 . 1 53 53 PRO CD C 13 50.975 0.400 . 1 . . . . A 53 PRO CD . 34771 1 607 . 1 . 1 54 54 ASP H H 1 8.317 0.020 . 1 . . . . A 54 ASP H . 34771 1 608 . 1 . 1 54 54 ASP HA H 1 4.151 0.020 . 1 . . . . A 54 ASP HA . 34771 1 609 . 1 . 1 54 54 ASP HB2 H 1 2.723 0.020 . 2 . . . . A 54 ASP HB2 . 34771 1 610 . 1 . 1 54 54 ASP HB3 H 1 2.349 0.020 . 2 . . . . A 54 ASP HB3 . 34771 1 611 . 1 . 1 54 54 ASP C C 13 175.878 0.400 . 1 . . . . A 54 ASP C . 34771 1 612 . 1 . 1 54 54 ASP CA C 13 56.011 0.400 . 1 . . . . A 54 ASP CA . 34771 1 613 . 1 . 1 54 54 ASP CB C 13 39.951 0.400 . 1 . . . . A 54 ASP CB . 34771 1 614 . 1 . 1 54 54 ASP N N 15 122.444 0.400 . 1 . . . . A 54 ASP N . 34771 1 615 . 1 . 1 55 55 LYS H H 1 7.477 0.020 . 1 . . . . A 55 LYS H . 34771 1 616 . 1 . 1 55 55 LYS HA H 1 4.230 0.020 . 1 . . . . A 55 LYS HA . 34771 1 617 . 1 . 1 55 55 LYS HB2 H 1 1.879 0.020 . 2 . . . . A 55 LYS HB2 . 34771 1 618 . 1 . 1 55 55 LYS HB3 H 1 1.879 0.020 . 2 . . . . A 55 LYS HB3 . 34771 1 619 . 1 . 1 55 55 LYS HG2 H 1 1.385 0.020 . 2 . . . . A 55 LYS HG2 . 34771 1 620 . 1 . 1 55 55 LYS HG3 H 1 1.385 0.020 . 2 . . . . A 55 LYS HG3 . 34771 1 621 . 1 . 1 55 55 LYS HD2 H 1 1.674 0.020 . 2 . . . . A 55 LYS HD2 . 34771 1 622 . 1 . 1 55 55 LYS HD3 H 1 1.674 0.020 . 2 . . . . A 55 LYS HD3 . 34771 1 623 . 1 . 1 55 55 LYS HE2 H 1 2.985 0.020 . 2 . . . . A 55 LYS HE2 . 34771 1 624 . 1 . 1 55 55 LYS HE3 H 1 2.985 0.020 . 2 . . . . A 55 LYS HE3 . 34771 1 625 . 1 . 1 55 55 LYS C C 13 176.414 0.400 . 1 . . . . A 55 LYS C . 34771 1 626 . 1 . 1 55 55 LYS CA C 13 56.729 0.400 . 1 . . . . A 55 LYS CA . 34771 1 627 . 1 . 1 55 55 LYS CB C 13 32.019 0.400 . 1 . . . . A 55 LYS CB . 34771 1 628 . 1 . 1 55 55 LYS CG C 13 24.465 0.400 . 1 . . . . A 55 LYS CG . 34771 1 629 . 1 . 1 55 55 LYS CD C 13 29.020 0.400 . 1 . . . . A 55 LYS CD . 34771 1 630 . 1 . 1 55 55 LYS CE C 13 42.031 0.400 . 1 . . . . A 55 LYS CE . 34771 1 631 . 1 . 1 55 55 LYS N N 15 115.548 0.400 . 1 . . . . A 55 LYS N . 34771 1 632 . 1 . 1 56 56 VAL H H 1 7.807 0.020 . 1 . . . . A 56 VAL H . 34771 1 633 . 1 . 1 56 56 VAL HA H 1 4.306 0.020 . 1 . . . . A 56 VAL HA . 34771 1 634 . 1 . 1 56 56 VAL HB H 1 1.976 0.020 . 1 . . . . A 56 VAL HB . 34771 1 635 . 1 . 1 56 56 VAL HG11 H 1 1.190 0.020 . 2 . . . . A 56 VAL HG11 . 34771 1 636 . 1 . 1 56 56 VAL HG12 H 1 1.190 0.020 . 2 . . . . A 56 VAL HG12 . 34771 1 637 . 1 . 1 56 56 VAL HG13 H 1 1.190 0.020 . 2 . . . . A 56 VAL HG13 . 34771 1 638 . 1 . 1 56 56 VAL HG21 H 1 1.142 0.020 . 2 . . . . A 56 VAL HG21 . 34771 1 639 . 1 . 1 56 56 VAL HG22 H 1 1.142 0.020 . 2 . . . . A 56 VAL HG22 . 34771 1 640 . 1 . 1 56 56 VAL HG23 H 1 1.142 0.020 . 2 . . . . A 56 VAL HG23 . 34771 1 641 . 1 . 1 56 56 VAL C C 13 173.778 0.400 . 1 . . . . A 56 VAL C . 34771 1 642 . 1 . 1 56 56 VAL CA C 13 60.183 0.400 . 1 . . . . A 56 VAL CA . 34771 1 643 . 1 . 1 56 56 VAL CB C 13 32.676 0.400 . 1 . . . . A 56 VAL CB . 34771 1 644 . 1 . 1 56 56 VAL CG1 C 13 21.036 0.400 . 2 . . . . A 56 VAL CG1 . 34771 1 645 . 1 . 1 56 56 VAL CG2 C 13 22.356 0.400 . 2 . . . . A 56 VAL CG2 . 34771 1 646 . 1 . 1 56 56 VAL N N 15 124.265 0.400 . 1 . . . . A 56 VAL N . 34771 1 647 . 1 . 1 57 57 PRO HA H 1 4.282 0.020 . 1 . . . . A 57 PRO HA . 34771 1 648 . 1 . 1 57 57 PRO HB2 H 1 2.195 0.020 . 2 . . . . A 57 PRO HB2 . 34771 1 649 . 1 . 1 57 57 PRO HB3 H 1 1.857 0.020 . 2 . . . . A 57 PRO HB3 . 34771 1 650 . 1 . 1 57 57 PRO HG2 H 1 1.866 0.020 . 2 . . . . A 57 PRO HG2 . 34771 1 651 . 1 . 1 57 57 PRO HG3 H 1 2.036 0.020 . 2 . . . . A 57 PRO HG3 . 34771 1 652 . 1 . 1 57 57 PRO HD2 H 1 3.956 0.020 . 2 . . . . A 57 PRO HD2 . 34771 1 653 . 1 . 1 57 57 PRO HD3 H 1 3.721 0.020 . 2 . . . . A 57 PRO HD3 . 34771 1 654 . 1 . 1 57 57 PRO CA C 13 63.412 0.400 . 1 . . . . A 57 PRO CA . 34771 1 655 . 1 . 1 57 57 PRO CB C 13 32.116 0.400 . 1 . . . . A 57 PRO CB . 34771 1 656 . 1 . 1 57 57 PRO CG C 13 27.326 0.400 . 1 . . . . A 57 PRO CG . 34771 1 657 . 1 . 1 57 57 PRO CD C 13 51.405 0.400 . 1 . . . . A 57 PRO CD . 34771 1 658 . 1 . 1 58 58 ILE H H 1 7.610 0.020 . 1 . . . . A 58 ILE H . 34771 1 659 . 1 . 1 58 58 ILE HA H 1 4.785 0.020 . 1 . . . . A 58 ILE HA . 34771 1 660 . 1 . 1 58 58 ILE HB H 1 1.771 0.020 . 1 . . . . A 58 ILE HB . 34771 1 661 . 1 . 1 58 58 ILE HG12 H 1 1.188 0.020 . 2 . . . . A 58 ILE HG12 . 34771 1 662 . 1 . 1 58 58 ILE HG13 H 1 0.879 0.020 . 2 . . . . A 58 ILE HG13 . 34771 1 663 . 1 . 1 58 58 ILE HG21 H 1 0.592 0.020 . 1 . . . . A 58 ILE HG21 . 34771 1 664 . 1 . 1 58 58 ILE HG22 H 1 0.592 0.020 . 1 . . . . A 58 ILE HG22 . 34771 1 665 . 1 . 1 58 58 ILE HG23 H 1 0.592 0.020 . 1 . . . . A 58 ILE HG23 . 34771 1 666 . 1 . 1 58 58 ILE HD11 H 1 0.721 0.020 . 1 . . . . A 58 ILE HD11 . 34771 1 667 . 1 . 1 58 58 ILE HD12 H 1 0.721 0.020 . 1 . . . . A 58 ILE HD12 . 34771 1 668 . 1 . 1 58 58 ILE HD13 H 1 0.721 0.020 . 1 . . . . A 58 ILE HD13 . 34771 1 669 . 1 . 1 58 58 ILE C C 13 176.081 0.400 . 1 . . . . A 58 ILE C . 34771 1 670 . 1 . 1 58 58 ILE CA C 13 58.885 0.400 . 1 . . . . A 58 ILE CA . 34771 1 671 . 1 . 1 58 58 ILE CB C 13 41.728 0.400 . 1 . . . . A 58 ILE CB . 34771 1 672 . 1 . 1 58 58 ILE CG1 C 13 24.961 0.400 . 1 . . . . A 58 ILE CG1 . 34771 1 673 . 1 . 1 58 58 ILE CG2 C 13 19.140 0.400 . 1 . . . . A 58 ILE CG2 . 34771 1 674 . 1 . 1 58 58 ILE CD1 C 13 13.799 0.400 . 1 . . . . A 58 ILE CD1 . 34771 1 675 . 1 . 1 59 59 ARG H H 1 7.963 0.020 . 1 . . . . A 59 ARG H . 34771 1 676 . 1 . 1 59 59 ARG HA H 1 4.072 0.020 . 1 . . . . A 59 ARG HA . 34771 1 677 . 1 . 1 59 59 ARG HB2 H 1 1.781 0.020 . 2 . . . . A 59 ARG HB2 . 34771 1 678 . 1 . 1 59 59 ARG HB3 H 1 1.781 0.020 . 2 . . . . A 59 ARG HB3 . 34771 1 679 . 1 . 1 59 59 ARG HG2 H 1 1.311 0.020 . 2 . . . . A 59 ARG HG2 . 34771 1 680 . 1 . 1 59 59 ARG HG3 H 1 1.216 0.020 . 2 . . . . A 59 ARG HG3 . 34771 1 681 . 1 . 1 59 59 ARG HD2 H 1 2.912 0.020 . 2 . . . . A 59 ARG HD2 . 34771 1 682 . 1 . 1 59 59 ARG HD3 H 1 2.912 0.020 . 2 . . . . A 59 ARG HD3 . 34771 1 683 . 1 . 1 59 59 ARG HE H 1 7.090 0.020 . 1 . . . . A 59 ARG HE . 34771 1 684 . 1 . 1 59 59 ARG C C 13 175.252 0.400 . 1 . . . . A 59 ARG C . 34771 1 685 . 1 . 1 59 59 ARG CA C 13 55.335 0.400 . 1 . . . . A 59 ARG CA . 34771 1 686 . 1 . 1 59 59 ARG CB C 13 31.923 0.400 . 1 . . . . A 59 ARG CB . 34771 1 687 . 1 . 1 59 59 ARG CG C 13 26.759 0.400 . 1 . . . . A 59 ARG CG . 34771 1 688 . 1 . 1 59 59 ARG CD C 13 43.331 0.400 . 1 . . . . A 59 ARG CD . 34771 1 689 . 1 . 1 59 59 ARG N N 15 121.355 0.400 . 1 . . . . A 59 ARG N . 34771 1 690 . 1 . 1 59 59 ARG NE N 15 85.282 0.400 . 1 . . . . A 59 ARG NE . 34771 1 691 . 1 . 1 60 60 ILE H H 1 8.789 0.020 . 1 . . . . A 60 ILE H . 34771 1 692 . 1 . 1 60 60 ILE HA H 1 4.709 0.020 . 1 . . . . A 60 ILE HA . 34771 1 693 . 1 . 1 60 60 ILE HB H 1 1.895 0.020 . 1 . . . . A 60 ILE HB . 34771 1 694 . 1 . 1 60 60 ILE HG12 H 1 1.473 0.020 . 2 . . . . A 60 ILE HG12 . 34771 1 695 . 1 . 1 60 60 ILE HG13 H 1 1.147 0.020 . 2 . . . . A 60 ILE HG13 . 34771 1 696 . 1 . 1 60 60 ILE HG21 H 1 0.945 0.020 . 1 . . . . A 60 ILE HG21 . 34771 1 697 . 1 . 1 60 60 ILE HG22 H 1 0.945 0.020 . 1 . . . . A 60 ILE HG22 . 34771 1 698 . 1 . 1 60 60 ILE HG23 H 1 0.945 0.020 . 1 . . . . A 60 ILE HG23 . 34771 1 699 . 1 . 1 60 60 ILE HD11 H 1 0.860 0.020 . 1 . . . . A 60 ILE HD11 . 34771 1 700 . 1 . 1 60 60 ILE HD12 H 1 0.860 0.020 . 1 . . . . A 60 ILE HD12 . 34771 1 701 . 1 . 1 60 60 ILE HD13 H 1 0.860 0.020 . 1 . . . . A 60 ILE HD13 . 34771 1 702 . 1 . 1 60 60 ILE C C 13 174.131 0.400 . 1 . . . . A 60 ILE C . 34771 1 703 . 1 . 1 60 60 ILE CA C 13 58.280 0.400 . 1 . . . . A 60 ILE CA . 34771 1 704 . 1 . 1 60 60 ILE CB C 13 38.907 0.400 . 1 . . . . A 60 ILE CB . 34771 1 705 . 1 . 1 60 60 ILE CG1 C 13 25.830 0.400 . 1 . . . . A 60 ILE CG1 . 34771 1 706 . 1 . 1 60 60 ILE CG2 C 13 17.044 0.400 . 1 . . . . A 60 ILE CG2 . 34771 1 707 . 1 . 1 60 60 ILE CD1 C 13 13.089 0.400 . 1 . . . . A 60 ILE CD1 . 34771 1 708 . 1 . 1 60 60 ILE N N 15 126.705 0.400 . 1 . . . . A 60 ILE N . 34771 1 709 . 1 . 1 61 61 PRO HA H 1 4.276 0.020 . 1 . . . . A 61 PRO HA . 34771 1 710 . 1 . 1 61 61 PRO HB2 H 1 2.178 0.020 . 2 . . . . A 61 PRO HB2 . 34771 1 711 . 1 . 1 61 61 PRO HB3 H 1 1.806 0.020 . 2 . . . . A 61 PRO HB3 . 34771 1 712 . 1 . 1 61 61 PRO HG2 H 1 2.027 0.020 . 2 . . . . A 61 PRO HG2 . 34771 1 713 . 1 . 1 61 61 PRO HG3 H 1 1.753 0.020 . 2 . . . . A 61 PRO HG3 . 34771 1 714 . 1 . 1 61 61 PRO HD2 H 1 3.890 0.020 . 2 . . . . A 61 PRO HD2 . 34771 1 715 . 1 . 1 61 61 PRO HD3 H 1 3.680 0.020 . 2 . . . . A 61 PRO HD3 . 34771 1 716 . 1 . 1 61 61 PRO C C 13 176.297 0.400 . 1 . . . . A 61 PRO C . 34771 1 717 . 1 . 1 61 61 PRO CA C 13 63.970 0.400 . 1 . . . . A 61 PRO CA . 34771 1 718 . 1 . 1 61 61 PRO CB C 13 31.848 0.400 . 1 . . . . A 61 PRO CB . 34771 1 719 . 1 . 1 61 61 PRO CG C 13 27.457 0.400 . 1 . . . . A 61 PRO CG . 34771 1 720 . 1 . 1 61 61 PRO CD C 13 50.904 0.400 . 1 . . . . A 61 PRO CD . 34771 1 721 . 1 . 1 62 62 GLY H H 1 8.354 0.020 . 1 . . . . A 62 GLY H . 34771 1 722 . 1 . 1 62 62 GLY HA2 H 1 4.228 0.020 . 2 . . . . A 62 GLY HA2 . 34771 1 723 . 1 . 1 62 62 GLY HA3 H 1 3.804 0.020 . 2 . . . . A 62 GLY HA3 . 34771 1 724 . 1 . 1 62 62 GLY C C 13 173.250 0.400 . 1 . . . . A 62 GLY C . 34771 1 725 . 1 . 1 62 62 GLY CA C 13 44.036 0.400 . 1 . . . . A 62 GLY CA . 34771 1 726 . 1 . 1 62 62 GLY N N 15 109.943 0.400 . 1 . . . . A 62 GLY N . 34771 1 727 . 1 . 1 63 63 LYS H H 1 8.270 0.020 . 1 . . . . A 63 LYS H . 34771 1 728 . 1 . 1 63 63 LYS HA H 1 4.383 0.020 . 1 . . . . A 63 LYS HA . 34771 1 729 . 1 . 1 63 63 LYS HB2 H 1 1.822 0.020 . 2 . . . . A 63 LYS HB2 . 34771 1 730 . 1 . 1 63 63 LYS HB3 H 1 1.743 0.020 . 2 . . . . A 63 LYS HB3 . 34771 1 731 . 1 . 1 63 63 LYS HG2 H 1 1.394 0.020 . 2 . . . . A 63 LYS HG2 . 34771 1 732 . 1 . 1 63 63 LYS HG3 H 1 1.394 0.020 . 2 . . . . A 63 LYS HG3 . 34771 1 733 . 1 . 1 63 63 LYS HD2 H 1 1.663 0.020 . 2 . . . . A 63 LYS HD2 . 34771 1 734 . 1 . 1 63 63 LYS HD3 H 1 1.663 0.020 . 2 . . . . A 63 LYS HD3 . 34771 1 735 . 1 . 1 63 63 LYS HE2 H 1 2.982 0.020 . 2 . . . . A 63 LYS HE2 . 34771 1 736 . 1 . 1 63 63 LYS HE3 H 1 2.982 0.020 . 2 . . . . A 63 LYS HE3 . 34771 1 737 . 1 . 1 63 63 LYS C C 13 176.456 0.400 . 1 . . . . A 63 LYS C . 34771 1 738 . 1 . 1 63 63 LYS CA C 13 56.343 0.400 . 1 . . . . A 63 LYS CA . 34771 1 739 . 1 . 1 63 63 LYS CB C 13 33.468 0.400 . 1 . . . . A 63 LYS CB . 34771 1 740 . 1 . 1 63 63 LYS CG C 13 24.922 0.400 . 1 . . . . A 63 LYS CG . 34771 1 741 . 1 . 1 63 63 LYS CD C 13 29.006 0.400 . 1 . . . . A 63 LYS CD . 34771 1 742 . 1 . 1 63 63 LYS CE C 13 42.112 0.400 . 1 . . . . A 63 LYS CE . 34771 1 743 . 1 . 1 63 63 LYS N N 15 119.870 0.400 . 1 . . . . A 63 LYS N . 34771 1 744 . 1 . 1 64 64 CYS H H 1 8.476 0.020 . 1 . . . . A 64 CYS H . 34771 1 745 . 1 . 1 64 64 CYS HA H 1 4.751 0.020 . 1 . . . . A 64 CYS HA . 34771 1 746 . 1 . 1 64 64 CYS HB2 H 1 3.291 0.020 . 2 . . . . A 64 CYS HB2 . 34771 1 747 . 1 . 1 64 64 CYS HB3 H 1 3.082 0.020 . 2 . . . . A 64 CYS HB3 . 34771 1 748 . 1 . 1 64 64 CYS C C 13 173.503 0.400 . 1 . . . . A 64 CYS C . 34771 1 749 . 1 . 1 64 64 CYS CA C 13 56.058 0.400 . 1 . . . . A 64 CYS CA . 34771 1 750 . 1 . 1 64 64 CYS CB C 13 40.847 0.400 . 1 . . . . A 64 CYS CB . 34771 1 751 . 1 . 1 64 64 CYS N N 15 123.125 0.400 . 1 . . . . A 64 CYS N . 34771 1 752 . 1 . 1 65 65 ARG H H 1 8.319 0.020 . 1 . . . . A 65 ARG H . 34771 1 753 . 1 . 1 65 65 ARG HA H 1 4.122 0.020 . 1 . . . . A 65 ARG HA . 34771 1 754 . 1 . 1 65 65 ARG HB2 H 1 1.869 0.020 . 2 . . . . A 65 ARG HB2 . 34771 1 755 . 1 . 1 65 65 ARG HB3 H 1 1.733 0.020 . 2 . . . . A 65 ARG HB3 . 34771 1 756 . 1 . 1 65 65 ARG HG2 H 1 1.612 0.020 . 2 . . . . A 65 ARG HG2 . 34771 1 757 . 1 . 1 65 65 ARG HG3 H 1 1.500 0.020 . 2 . . . . A 65 ARG HG3 . 34771 1 758 . 1 . 1 65 65 ARG HD2 H 1 3.149 0.020 . 2 . . . . A 65 ARG HD2 . 34771 1 759 . 1 . 1 65 65 ARG HD3 H 1 3.212 0.020 . 2 . . . . A 65 ARG HD3 . 34771 1 760 . 1 . 1 65 65 ARG CA C 13 57.789 0.400 . 1 . . . . A 65 ARG CA . 34771 1 761 . 1 . 1 65 65 ARG CB C 13 31.347 0.400 . 1 . . . . A 65 ARG CB . 34771 1 762 . 1 . 1 65 65 ARG CG C 13 27.883 0.400 . 1 . . . . A 65 ARG CG . 34771 1 763 . 1 . 1 65 65 ARG CD C 13 43.339 0.400 . 1 . . . . A 65 ARG CD . 34771 1 stop_ save_