data_34146 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34146 _Entry.Title ; Solution Structure of the N-terminal Region of Dkk4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-01 _Entry.Accession_date 2017-06-01 _Entry.Last_release_date 2017-06-15 _Entry.Original_release_date 2017-06-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _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 L. Waters L. C. . . 34146 2 S. Patel S. . . . 34146 3 A. Barkell A. M. . . 34146 4 F. Muskett F. W. . . 34146 5 M. Robinson M. K. . . 34146 6 G. Holdsworth G. . . . 34146 7 M. Carr M. D. . . 34146 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Cysteine-rich domain 1' . 34146 Dkk4 . 34146 'Wnt Signalling' . 34146 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34146 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 34146 '15N chemical shifts' 76 34146 '1H chemical shifts' 528 34146 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 3 . . 2018-08-09 2017-06-01 update BMRB 'update entry citation' 34146 2 . . 2018-06-20 2017-06-01 update author 'update entry citation' 34146 1 . . 2018-06-07 2017-06-01 original author 'original release' 34146 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5O57 'BMRB Entry Tracking System' 34146 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34146 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA118.002918 _Citation.PubMed_ID 29925589 _Citation.Full_citation . _Citation.Title ; Structural and functional analysis of Dickkopf 4 (Dkk4): New insights into Dkk evolution and regulation of Wnt signaling by Dkk and Kremen proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 31 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12149 _Citation.Page_last 12166 _Citation.Year 2018 _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 S. Patel S. . . . 34146 1 2 A. Barkell A. M. . . 34146 1 3 D Gupta D. . . . 34146 1 4 S. Strong S. L. . . 34146 1 5 S. Bruton S. . . . 34146 1 6 F. Muskett F. W. . . 34146 1 7 P. Addis P. W. . . 34146 1 8 P. Renshaw P. S. . . 34146 1 9 P. Slocombe P. M. . . 34146 1 10 C. Doyle C. . . . 34146 1 11 A. Cargo A. . . . 34146 1 12 R. Taylor R. J. . . 34146 1 13 C. Prosser C. E. . . 34146 1 14 A. Henry A. J. . . 34146 1 15 M. Robinson M. K. . . 34146 1 16 L. Waters L. C . . 34146 1 17 G. Holdsworth G. . . . 34146 1 18 M. Carr M. D. . . 34146 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34146 _Assembly.ID 1 _Assembly.Name 'Dickkopf-related protein 4' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34146 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34146 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Dickkopf-related protein 4' _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 ; MLVLDFNNIRSSADLHGARK GSQCLSDTDCNTRKFCLQPR DEKPFCATCRGLRRRCQRDA MCCPGTLCVNDVCTTMEDAT ENLYFQSLEHHHHHH ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10931.425 _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 hDkk-4 na 34146 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 . MET . 34146 1 2 . LEU . 34146 1 3 . VAL . 34146 1 4 . LEU . 34146 1 5 . ASP . 34146 1 6 . PHE . 34146 1 7 . ASN . 34146 1 8 . ASN . 34146 1 9 . ILE . 34146 1 10 . ARG . 34146 1 11 . SER . 34146 1 12 . SER . 34146 1 13 . ALA . 34146 1 14 . ASP . 34146 1 15 . LEU . 34146 1 16 . HIS . 34146 1 17 . GLY . 34146 1 18 . ALA . 34146 1 19 . ARG . 34146 1 20 . LYS . 34146 1 21 . GLY . 34146 1 22 . SER . 34146 1 23 . GLN . 34146 1 24 . CYS . 34146 1 25 . LEU . 34146 1 26 . SER . 34146 1 27 . ASP . 34146 1 28 . THR . 34146 1 29 . ASP . 34146 1 30 . CYS . 34146 1 31 . ASN . 34146 1 32 . THR . 34146 1 33 . ARG . 34146 1 34 . LYS . 34146 1 35 . PHE . 34146 1 36 . CYS . 34146 1 37 . LEU . 34146 1 38 . GLN . 34146 1 39 . PRO . 34146 1 40 . ARG . 34146 1 41 . ASP . 34146 1 42 . GLU . 34146 1 43 . LYS . 34146 1 44 . PRO . 34146 1 45 . PHE . 34146 1 46 . CYS . 34146 1 47 . ALA . 34146 1 48 . THR . 34146 1 49 . CYS . 34146 1 50 . ARG . 34146 1 51 . GLY . 34146 1 52 . LEU . 34146 1 53 . ARG . 34146 1 54 . ARG . 34146 1 55 . ARG . 34146 1 56 . CYS . 34146 1 57 . GLN . 34146 1 58 . ARG . 34146 1 59 . ASP . 34146 1 60 . ALA . 34146 1 61 . MET . 34146 1 62 . CYS . 34146 1 63 . CYS . 34146 1 64 . PRO . 34146 1 65 . GLY . 34146 1 66 . THR . 34146 1 67 . LEU . 34146 1 68 . CYS . 34146 1 69 . VAL . 34146 1 70 . ASN . 34146 1 71 . ASP . 34146 1 72 . VAL . 34146 1 73 . CYS . 34146 1 74 . THR . 34146 1 75 . THR . 34146 1 76 . MET . 34146 1 77 . GLU . 34146 1 78 . ASP . 34146 1 79 . ALA . 34146 1 80 . THR . 34146 1 81 . GLU . 34146 1 82 . ASN . 34146 1 83 . LEU . 34146 1 84 . TYR . 34146 1 85 . PHE . 34146 1 86 . GLN . 34146 1 87 . SER . 34146 1 88 . LEU . 34146 1 89 . GLU . 34146 1 90 . HIS . 34146 1 91 . HIS . 34146 1 92 . HIS . 34146 1 93 . HIS . 34146 1 94 . HIS . 34146 1 95 . HIS . 34146 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34146 1 . LEU 2 2 34146 1 . VAL 3 3 34146 1 . LEU 4 4 34146 1 . ASP 5 5 34146 1 . PHE 6 6 34146 1 . ASN 7 7 34146 1 . ASN 8 8 34146 1 . ILE 9 9 34146 1 . ARG 10 10 34146 1 . SER 11 11 34146 1 . SER 12 12 34146 1 . ALA 13 13 34146 1 . ASP 14 14 34146 1 . LEU 15 15 34146 1 . HIS 16 16 34146 1 . GLY 17 17 34146 1 . ALA 18 18 34146 1 . ARG 19 19 34146 1 . LYS 20 20 34146 1 . GLY 21 21 34146 1 . SER 22 22 34146 1 . GLN 23 23 34146 1 . CYS 24 24 34146 1 . LEU 25 25 34146 1 . SER 26 26 34146 1 . ASP 27 27 34146 1 . THR 28 28 34146 1 . ASP 29 29 34146 1 . CYS 30 30 34146 1 . ASN 31 31 34146 1 . THR 32 32 34146 1 . ARG 33 33 34146 1 . LYS 34 34 34146 1 . PHE 35 35 34146 1 . CYS 36 36 34146 1 . LEU 37 37 34146 1 . GLN 38 38 34146 1 . PRO 39 39 34146 1 . ARG 40 40 34146 1 . ASP 41 41 34146 1 . GLU 42 42 34146 1 . LYS 43 43 34146 1 . PRO 44 44 34146 1 . PHE 45 45 34146 1 . CYS 46 46 34146 1 . ALA 47 47 34146 1 . THR 48 48 34146 1 . CYS 49 49 34146 1 . ARG 50 50 34146 1 . GLY 51 51 34146 1 . LEU 52 52 34146 1 . ARG 53 53 34146 1 . ARG 54 54 34146 1 . ARG 55 55 34146 1 . CYS 56 56 34146 1 . GLN 57 57 34146 1 . ARG 58 58 34146 1 . ASP 59 59 34146 1 . ALA 60 60 34146 1 . MET 61 61 34146 1 . CYS 62 62 34146 1 . CYS 63 63 34146 1 . PRO 64 64 34146 1 . GLY 65 65 34146 1 . THR 66 66 34146 1 . LEU 67 67 34146 1 . CYS 68 68 34146 1 . VAL 69 69 34146 1 . ASN 70 70 34146 1 . ASP 71 71 34146 1 . VAL 72 72 34146 1 . CYS 73 73 34146 1 . THR 74 74 34146 1 . THR 75 75 34146 1 . MET 76 76 34146 1 . GLU 77 77 34146 1 . ASP 78 78 34146 1 . ALA 79 79 34146 1 . THR 80 80 34146 1 . GLU 81 81 34146 1 . ASN 82 82 34146 1 . LEU 83 83 34146 1 . TYR 84 84 34146 1 . PHE 85 85 34146 1 . GLN 86 86 34146 1 . SER 87 87 34146 1 . LEU 88 88 34146 1 . GLU 89 89 34146 1 . HIS 90 90 34146 1 . HIS 91 91 34146 1 . HIS 92 92 34146 1 . HIS 93 93 34146 1 . HIS 94 94 34146 1 . HIS 95 95 34146 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 34146 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . DKK4 . 34146 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 34146 _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' . 'University of Leicester vector' 562 Escherichia coli 'Rosetta 2 (DE3)' . . Plasmid . . pLEICS-05 . . . 34146 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34146 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '140 uM [U-13C; U-15N] Dkk4n, 95% H2O/5% D2ODkk4n' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2ODkk4n' _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 Dkk4n '[U-13C; U-15N]' . . 1 $entity_1 . . 140 . . uM . . . . 34146 1 2 'Sodium Phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34146 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34146 1 4 'Sodium Azide' 'natural abundance' . . . . . . .02 . . % . . . . 34146 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34146 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '210 uM [U-15N] Dkk4n, 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 Dkk4n [U-15N] . . 1 $entity_1 . . 210 . . uM . . . . 34146 2 2 'Sodium Phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34146 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34146 2 4 'Sodium Azide' 'natural abundance' . . . . . . .02 . . % . . . . 34146 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34146 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '90 uM [U-15N] Dkk4n, 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 Dkk4n [U-15N] . . 1 $entity_1 . . 90 . . uM . . . . 34146 3 2 'Sodium Phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34146 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34146 3 4 'Sodium Azide' 'natural abundance' . . . . . . .02 . . % . . . . 34146 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34146 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '140 uM [U-13C; U-15N] Dkk4n, 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 Dkk4n '[U-13C; U-15N]' . . 1 $entity_1 . . 140 . . uM . . . . 34146 4 2 'Sodium Phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34146 4 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34146 4 4 'Sodium Azide' 'natural abundance' . . . . . . .02 . . % . . . . 34146 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 34146 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '230 uM [U-13C; U-15N] Dkk4n, 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 Dkk4n '[U-13C; U-15N]' . . 1 $entity_1 . . 230 . . uM . . . . 34146 5 2 'Sodium Phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34146 5 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34146 5 4 'Sodium Azide' 'natural abundance' . . . . . . .02 . . % . . . . 34146 5 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 34146 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34146 1 pH 6.5 . pH 34146 1 pressure 1 . atm 34146 1 temperature 308 . K 34146 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34146 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34146 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34146 1 'structure calculation' 34146 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34146 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34146 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34146 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34146 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 'NMRFAM-Sparky 1.4' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34146 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34146 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34146 _Software.ID 4 _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' . . 34146 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34146 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 34146 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _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 34146 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34146 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AvanceIII HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34146 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVIII . 600 . . . 34146 1 2 NMR_spectrometer_2 Bruker AVII . 800 . . . 34146 1 3 NMR_spectrometer_3 Bruker 'AvanceIII HD' . 950 . . . 34146 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 34146 _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 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34146 1 2 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34146 1 3 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34146 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34146 1 5 '2D TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34146 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34146 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34146 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34146 1 9 '3D 13C/1H HSQC-NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34146 1 10 '3D 13C/1H HSQC-NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34146 1 11 '3D 15N/1H NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34146 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 34146 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34146 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34146 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34146 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 34146 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_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 '3D TROSY-HNCACB' . . . 34146 1 2 '3D TROSY-HN(CO)CACB' . . . 34146 1 3 '3D TROSY-HNCO' . . . 34146 1 4 '3D HBHA(CO)NH' . . . 34146 1 5 '2D TROSY' . . . 34146 1 6 '2D 1H-1H TOCSY' . . . 34146 1 7 '2D 1H-1H NOESY' . . . 34146 1 8 '3D HCCH-TOCSY' . . . 34146 1 9 '3D 13C/1H HSQC-NOESY' . . . 34146 1 10 '3D 13C/1H HSQC-NOESY' . . . 34146 1 11 '3D 15N/1H NOESY-HSQC' . . . 34146 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU HA H 1 4.356 0.020 . 2 . . . . A 19 LEU HA . 34146 1 2 . 1 1 2 2 LEU HB2 H 1 1.547 0.020 . 2 . . . . A 19 LEU HB2 . 34146 1 3 . 1 1 2 2 LEU HB3 H 1 1.547 0.020 . 2 . . . . A 19 LEU HB3 . 34146 1 4 . 1 1 2 2 LEU HG H 1 1.583 0.020 . 2 . . . . A 19 LEU HG . 34146 1 5 . 1 1 2 2 LEU HD11 H 1 0.878 0.020 . 2 . . . . A 19 LEU HD11 . 34146 1 6 . 1 1 2 2 LEU HD12 H 1 0.878 0.020 . 2 . . . . A 19 LEU HD12 . 34146 1 7 . 1 1 2 2 LEU HD13 H 1 0.878 0.020 . 2 . . . . A 19 LEU HD13 . 34146 1 8 . 1 1 2 2 LEU HD21 H 1 0.828 0.020 . 2 . . . . A 19 LEU HD21 . 34146 1 9 . 1 1 2 2 LEU HD22 H 1 0.828 0.020 . 2 . . . . A 19 LEU HD22 . 34146 1 10 . 1 1 2 2 LEU HD23 H 1 0.828 0.020 . 2 . . . . A 19 LEU HD23 . 34146 1 11 . 1 1 2 2 LEU C C 13 176.415 0.400 . 2 . . . . A 19 LEU C . 34146 1 12 . 1 1 2 2 LEU CA C 13 55.106 0.400 . 2 . . . . A 19 LEU CA . 34146 1 13 . 1 1 2 2 LEU CB C 13 42.562 0.400 . 2 . . . . A 19 LEU CB . 34146 1 14 . 1 1 2 2 LEU CG C 13 27.117 0.400 . 2 . . . . A 19 LEU CG . 34146 1 15 . 1 1 2 2 LEU CD1 C 13 24.751 0.400 . 2 . . . . A 19 LEU CD1 . 34146 1 16 . 1 1 2 2 LEU CD2 C 13 23.730 0.400 . 2 . . . . A 19 LEU CD2 . 34146 1 17 . 1 1 3 3 VAL H H 1 8.222 0.020 . 2 . . . . A 20 VAL H . 34146 1 18 . 1 1 3 3 VAL HA H 1 4.052 0.020 . 2 . . . . A 20 VAL HA . 34146 1 19 . 1 1 3 3 VAL HB H 1 1.984 0.020 . 2 . . . . A 20 VAL HB . 34146 1 20 . 1 1 3 3 VAL HG11 H 1 0.885 0.020 . 2 . . . . A 20 VAL HG11 . 34146 1 21 . 1 1 3 3 VAL HG12 H 1 0.885 0.020 . 2 . . . . A 20 VAL HG12 . 34146 1 22 . 1 1 3 3 VAL HG13 H 1 0.885 0.020 . 2 . . . . A 20 VAL HG13 . 34146 1 23 . 1 1 3 3 VAL HG21 H 1 0.861 0.020 . 2 . . . . A 20 VAL HG21 . 34146 1 24 . 1 1 3 3 VAL HG22 H 1 0.861 0.020 . 2 . . . . A 20 VAL HG22 . 34146 1 25 . 1 1 3 3 VAL HG23 H 1 0.861 0.020 . 2 . . . . A 20 VAL HG23 . 34146 1 26 . 1 1 3 3 VAL C C 13 175.709 0.400 . 2 . . . . A 20 VAL C . 34146 1 27 . 1 1 3 3 VAL CA C 13 62.303 0.400 . 2 . . . . A 20 VAL CA . 34146 1 28 . 1 1 3 3 VAL CB C 13 32.739 0.400 . 2 . . . . A 20 VAL CB . 34146 1 29 . 1 1 3 3 VAL CG1 C 13 20.983 0.400 . 2 . . . . A 20 VAL CG1 . 34146 1 30 . 1 1 3 3 VAL CG2 C 13 20.963 0.400 . 2 . . . . A 20 VAL CG2 . 34146 1 31 . 1 1 3 3 VAL N N 15 123.592 0.400 . 2 . . . . A 20 VAL N . 34146 1 32 . 1 1 4 4 LEU H H 1 8.198 0.020 . 2 . . . . A 21 LEU H . 34146 1 33 . 1 1 4 4 LEU HA H 1 4.293 0.020 . 2 . . . . A 21 LEU HA . 34146 1 34 . 1 1 4 4 LEU HB2 H 1 1.366 0.020 . 2 . . . . A 21 LEU HB2 . 34146 1 35 . 1 1 4 4 LEU HB3 H 1 1.515 0.020 . 2 . . . . A 21 LEU HB3 . 34146 1 36 . 1 1 4 4 LEU HG H 1 1.540 0.020 . 2 . . . . A 21 LEU HG . 34146 1 37 . 1 1 4 4 LEU HD11 H 1 0.859 0.020 . 2 . . . . A 21 LEU HD11 . 34146 1 38 . 1 1 4 4 LEU HD12 H 1 0.859 0.020 . 2 . . . . A 21 LEU HD12 . 34146 1 39 . 1 1 4 4 LEU HD13 H 1 0.859 0.020 . 2 . . . . A 21 LEU HD13 . 34146 1 40 . 1 1 4 4 LEU HD21 H 1 0.795 0.020 . 2 . . . . A 21 LEU HD21 . 34146 1 41 . 1 1 4 4 LEU HD22 H 1 0.795 0.020 . 2 . . . . A 21 LEU HD22 . 34146 1 42 . 1 1 4 4 LEU HD23 H 1 0.795 0.020 . 2 . . . . A 21 LEU HD23 . 34146 1 43 . 1 1 4 4 LEU C C 13 176.494 0.400 . 2 . . . . A 21 LEU C . 34146 1 44 . 1 1 4 4 LEU CA C 13 54.811 0.400 . 2 . . . . A 21 LEU CA . 34146 1 45 . 1 1 4 4 LEU CB C 13 42.579 0.400 . 2 . . . . A 21 LEU CB . 34146 1 46 . 1 1 4 4 LEU CG C 13 27.066 0.400 . 2 . . . . A 21 LEU CG . 34146 1 47 . 1 1 4 4 LEU CD1 C 13 24.892 0.400 . 2 . . . . A 21 LEU CD1 . 34146 1 48 . 1 1 4 4 LEU CD2 C 13 23.419 0.400 . 2 . . . . A 21 LEU CD2 . 34146 1 49 . 1 1 4 4 LEU N N 15 126.525 0.400 . 2 . . . . A 21 LEU N . 34146 1 50 . 1 1 5 5 ASP H H 1 8.061 0.020 . 2 . . . . A 22 ASP H . 34146 1 51 . 1 1 5 5 ASP HA H 1 4.521 0.020 . 2 . . . . A 22 ASP HA . 34146 1 52 . 1 1 5 5 ASP HB2 H 1 2.510 0.020 . 2 . . . . A 22 ASP HB2 . 34146 1 53 . 1 1 5 5 ASP HB3 H 1 2.614 0.020 . 2 . . . . A 22 ASP HB3 . 34146 1 54 . 1 1 5 5 ASP C C 13 176.214 0.400 . 2 . . . . A 22 ASP C . 34146 1 55 . 1 1 5 5 ASP CA C 13 53.838 0.400 . 2 . . . . A 22 ASP CA . 34146 1 56 . 1 1 5 5 ASP CB C 13 41.415 0.400 . 2 . . . . A 22 ASP CB . 34146 1 57 . 1 1 5 5 ASP N N 15 121.129 0.400 . 2 . . . . A 22 ASP N . 34146 1 58 . 1 1 6 6 PHE H H 1 8.108 0.020 . 2 . . . . A 23 PHE H . 34146 1 59 . 1 1 6 6 PHE HA H 1 4.471 0.020 . 2 . . . . A 23 PHE HA . 34146 1 60 . 1 1 6 6 PHE HB2 H 1 2.996 0.020 . 2 . . . . A 23 PHE HB2 . 34146 1 61 . 1 1 6 6 PHE HB3 H 1 3.121 0.020 . 2 . . . . A 23 PHE HB3 . 34146 1 62 . 1 1 6 6 PHE HD1 H 1 7.213 0.020 . 2 . . . . A 23 PHE HD1 . 34146 1 63 . 1 1 6 6 PHE HD2 H 1 7.213 0.020 . 2 . . . . A 23 PHE HD2 . 34146 1 64 . 1 1 6 6 PHE HE1 H 1 7.321 0.020 . 2 . . . . A 23 PHE HE1 . 34146 1 65 . 1 1 6 6 PHE HE2 H 1 7.321 0.020 . 2 . . . . A 23 PHE HE2 . 34146 1 66 . 1 1 6 6 PHE HZ H 1 7.284 0.020 . 2 . . . . A 23 PHE HZ . 34146 1 67 . 1 1 6 6 PHE C C 13 175.917 0.400 . 2 . . . . A 23 PHE C . 34146 1 68 . 1 1 6 6 PHE CA C 13 58.192 0.400 . 2 . . . . A 23 PHE CA . 34146 1 69 . 1 1 6 6 PHE CB C 13 39.402 0.400 . 2 . . . . A 23 PHE CB . 34146 1 70 . 1 1 6 6 PHE N N 15 120.930 0.400 . 2 . . . . A 23 PHE N . 34146 1 71 . 1 1 7 7 ASN H H 1 8.319 0.020 . 2 . . . . A 24 ASN H . 34146 1 72 . 1 1 7 7 ASN HA H 1 4.590 0.020 . 2 . . . . A 24 ASN HA . 34146 1 73 . 1 1 7 7 ASN HB2 H 1 2.675 0.020 . 2 . . . . A 24 ASN HB2 . 34146 1 74 . 1 1 7 7 ASN HB3 H 1 2.749 0.020 . 2 . . . . A 24 ASN HB3 . 34146 1 75 . 1 1 7 7 ASN C C 13 175.002 0.400 . 2 . . . . A 24 ASN C . 34146 1 76 . 1 1 7 7 ASN CA C 13 53.482 0.400 . 2 . . . . A 24 ASN CA . 34146 1 77 . 1 1 7 7 ASN CB C 13 38.822 0.400 . 2 . . . . A 24 ASN CB . 34146 1 78 . 1 1 7 7 ASN N N 15 119.036 0.400 . 2 . . . . A 24 ASN N . 34146 1 79 . 1 1 8 8 ASN H H 1 8.104 0.020 . 2 . . . . A 25 ASN H . 34146 1 80 . 1 1 8 8 ASN HA H 1 4.645 0.020 . 2 . . . . A 25 ASN HA . 34146 1 81 . 1 1 8 8 ASN HB2 H 1 2.719 0.020 . 2 . . . . A 25 ASN HB2 . 34146 1 82 . 1 1 8 8 ASN HB3 H 1 2.793 0.020 . 2 . . . . A 25 ASN HB3 . 34146 1 83 . 1 1 8 8 ASN C C 13 175.062 0.400 . 2 . . . . A 25 ASN C . 34146 1 84 . 1 1 8 8 ASN N N 15 118.594 0.400 . 2 . . . . A 25 ASN N . 34146 1 85 . 1 1 9 9 ILE H H 1 7.881 0.020 . 2 . . . . A 26 ILE H . 34146 1 86 . 1 1 9 9 ILE HA H 1 4.106 0.020 . 2 . . . . A 26 ILE HA . 34146 1 87 . 1 1 9 9 ILE HB H 1 1.859 0.020 . 2 . . . . A 26 ILE HB . 34146 1 88 . 1 1 9 9 ILE HG12 H 1 1.148 0.020 . 2 . . . . A 26 ILE HG12 . 34146 1 89 . 1 1 9 9 ILE HG13 H 1 1.411 0.020 . 2 . . . . A 26 ILE HG13 . 34146 1 90 . 1 1 9 9 ILE HG21 H 1 0.853 0.020 . 2 . . . . A 26 ILE HG21 . 34146 1 91 . 1 1 9 9 ILE HG22 H 1 0.853 0.020 . 2 . . . . A 26 ILE HG22 . 34146 1 92 . 1 1 9 9 ILE HG23 H 1 0.853 0.020 . 2 . . . . A 26 ILE HG23 . 34146 1 93 . 1 1 9 9 ILE HD11 H 1 0.813 0.020 . 2 . . . . A 26 ILE HD11 . 34146 1 94 . 1 1 9 9 ILE HD12 H 1 0.813 0.020 . 2 . . . . A 26 ILE HD12 . 34146 1 95 . 1 1 9 9 ILE HD13 H 1 0.813 0.020 . 2 . . . . A 26 ILE HD13 . 34146 1 96 . 1 1 9 9 ILE C C 13 176.276 0.400 . 2 . . . . A 26 ILE C . 34146 1 97 . 1 1 9 9 ILE CA C 13 61.358 0.400 . 2 . . . . A 26 ILE CA . 34146 1 98 . 1 1 9 9 ILE CB C 13 38.553 0.400 . 2 . . . . A 26 ILE CB . 34146 1 99 . 1 1 9 9 ILE CG1 C 13 27.402 0.400 . 2 . . . . A 26 ILE CG1 . 34146 1 100 . 1 1 9 9 ILE CG2 C 13 17.588 0.400 . 2 . . . . A 26 ILE CG2 . 34146 1 101 . 1 1 9 9 ILE CD1 C 13 12.987 0.400 . 2 . . . . A 26 ILE CD1 . 34146 1 102 . 1 1 9 9 ILE N N 15 120.603 0.400 . 2 . . . . A 26 ILE N . 34146 1 103 . 1 1 10 10 ARG H H 1 8.292 0.020 . 2 . . . . A 27 ARG H . 34146 1 104 . 1 1 10 10 ARG HA H 1 4.358 0.020 . 2 . . . . A 27 ARG HA . 34146 1 105 . 1 1 10 10 ARG HB2 H 1 1.735 0.020 . 2 . . . . A 27 ARG HB2 . 34146 1 106 . 1 1 10 10 ARG HB3 H 1 1.829 0.020 . 2 . . . . A 27 ARG HB3 . 34146 1 107 . 1 1 10 10 ARG HG2 H 1 1.591 0.020 . 2 . . . . A 27 ARG HG2 . 34146 1 108 . 1 1 10 10 ARG HG3 H 1 1.591 0.020 . 2 . . . . A 27 ARG HG3 . 34146 1 109 . 1 1 10 10 ARG HD2 H 1 3.140 0.020 . 2 . . . . A 27 ARG HD2 . 34146 1 110 . 1 1 10 10 ARG HD3 H 1 3.140 0.020 . 2 . . . . A 27 ARG HD3 . 34146 1 111 . 1 1 10 10 ARG CA C 13 55.922 0.400 . 2 . . . . A 27 ARG CA . 34146 1 112 . 1 1 10 10 ARG CB C 13 30.821 0.400 . 2 . . . . A 27 ARG CB . 34146 1 113 . 1 1 10 10 ARG CG C 13 27.226 0.400 . 2 . . . . A 27 ARG CG . 34146 1 114 . 1 1 10 10 ARG CD C 13 43.323 0.400 . 2 . . . . A 27 ARG CD . 34146 1 115 . 1 1 10 10 ARG N N 15 124.738 0.400 . 2 . . . . A 27 ARG N . 34146 1 116 . 1 1 13 13 ALA HA H 1 4.228 0.020 . 2 . . . . A 30 ALA HA . 34146 1 117 . 1 1 13 13 ALA HB1 H 1 1.334 0.020 . 2 . . . . A 30 ALA HB1 . 34146 1 118 . 1 1 13 13 ALA HB2 H 1 1.334 0.020 . 2 . . . . A 30 ALA HB2 . 34146 1 119 . 1 1 13 13 ALA HB3 H 1 1.334 0.020 . 2 . . . . A 30 ALA HB3 . 34146 1 120 . 1 1 13 13 ALA C C 13 177.681 0.400 . 2 . . . . A 30 ALA C . 34146 1 121 . 1 1 13 13 ALA CA C 13 52.755 0.400 . 2 . . . . A 30 ALA CA . 34146 1 122 . 1 1 13 13 ALA CB C 13 19.238 0.400 . 2 . . . . A 30 ALA CB . 34146 1 123 . 1 1 14 14 ASP H H 1 8.057 0.020 . 2 . . . . A 31 ASP H . 34146 1 124 . 1 1 14 14 ASP HA H 1 4.545 0.020 . 2 . . . . A 31 ASP HA . 34146 1 125 . 1 1 14 14 ASP C C 13 176.560 0.400 . 2 . . . . A 31 ASP C . 34146 1 126 . 1 1 14 14 ASP N N 15 118.720 0.400 . 2 . . . . A 31 ASP N . 34146 1 127 . 1 1 15 15 LEU H H 1 7.944 0.020 . 2 . . . . A 32 LEU H . 34146 1 128 . 1 1 15 15 LEU HA H 1 4.162 0.020 . 2 . . . . A 32 LEU HA . 34146 1 129 . 1 1 15 15 LEU HB2 H 1 1.531 0.020 . 2 . . . . A 32 LEU HB2 . 34146 1 130 . 1 1 15 15 LEU HB3 H 1 1.531 0.020 . 2 . . . . A 32 LEU HB3 . 34146 1 131 . 1 1 15 15 LEU HD11 H 1 0.858 0.020 . 2 . . . . A 32 LEU HD11 . 34146 1 132 . 1 1 15 15 LEU HD12 H 1 0.858 0.020 . 2 . . . . A 32 LEU HD12 . 34146 1 133 . 1 1 15 15 LEU HD13 H 1 0.858 0.020 . 2 . . . . A 32 LEU HD13 . 34146 1 134 . 1 1 15 15 LEU HD21 H 1 0.816 0.020 . 2 . . . . A 32 LEU HD21 . 34146 1 135 . 1 1 15 15 LEU HD22 H 1 0.816 0.020 . 2 . . . . A 32 LEU HD22 . 34146 1 136 . 1 1 15 15 LEU HD23 H 1 0.816 0.020 . 2 . . . . A 32 LEU HD23 . 34146 1 137 . 1 1 15 15 LEU CA C 13 56.660 0.400 . 2 . . . . A 32 LEU CA . 34146 1 138 . 1 1 15 15 LEU CB C 13 42.516 0.400 . 2 . . . . A 32 LEU CB . 34146 1 139 . 1 1 15 15 LEU N N 15 122.054 0.400 . 2 . . . . A 32 LEU N . 34146 1 140 . 1 1 17 17 GLY HA2 H 1 3.869 0.020 . 2 . . . . A 34 GLY HA2 . 34146 1 141 . 1 1 17 17 GLY HA3 H 1 3.869 0.020 . 2 . . . . A 34 GLY HA3 . 34146 1 142 . 1 1 17 17 GLY C C 13 174.077 0.400 . 2 . . . . A 34 GLY C . 34146 1 143 . 1 1 17 17 GLY CA C 13 45.406 0.400 . 2 . . . . A 34 GLY CA . 34146 1 144 . 1 1 18 18 ALA H H 1 8.084 0.020 . 2 . . . . A 35 ALA H . 34146 1 145 . 1 1 18 18 ALA N N 15 123.677 0.400 . 2 . . . . A 35 ALA N . 34146 1 146 . 1 1 20 20 LYS HA H 1 4.127 0.020 . 2 . . . . A 37 LYS HA . 34146 1 147 . 1 1 20 20 LYS HB2 H 1 1.512 0.020 . 2 . . . . A 37 LYS HB2 . 34146 1 148 . 1 1 20 20 LYS HB3 H 1 1.603 0.020 . 2 . . . . A 37 LYS HB3 . 34146 1 149 . 1 1 20 20 LYS HG2 H 1 1.155 0.020 . 2 . . . . A 37 LYS HG2 . 34146 1 150 . 1 1 20 20 LYS HG3 H 1 1.265 0.020 . 2 . . . . A 37 LYS HG3 . 34146 1 151 . 1 1 20 20 LYS HD2 H 1 1.469 0.020 . 2 . . . . A 37 LYS HD2 . 34146 1 152 . 1 1 20 20 LYS HD3 H 1 1.469 0.020 . 2 . . . . A 37 LYS HD3 . 34146 1 153 . 1 1 20 20 LYS HE2 H 1 2.801 0.020 . 2 . . . . A 37 LYS HE2 . 34146 1 154 . 1 1 20 20 LYS HE3 H 1 2.801 0.020 . 2 . . . . A 37 LYS HE3 . 34146 1 155 . 1 1 20 20 LYS CA C 13 56.614 0.400 . 2 . . . . A 37 LYS CA . 34146 1 156 . 1 1 20 20 LYS CB C 13 32.905 0.400 . 2 . . . . A 37 LYS CB . 34146 1 157 . 1 1 20 20 LYS CG C 13 24.827 0.400 . 2 . . . . A 37 LYS CG . 34146 1 158 . 1 1 20 20 LYS CD C 13 29.214 0.400 . 2 . . . . A 37 LYS CD . 34146 1 159 . 1 1 20 20 LYS CE C 13 42.025 0.400 . 2 . . . . A 37 LYS CE . 34146 1 160 . 1 1 21 21 GLY H H 1 8.073 0.020 . 2 . . . . A 38 GLY H . 34146 1 161 . 1 1 21 21 GLY HA2 H 1 4.037 0.020 . 2 . . . . A 38 GLY HA2 . 34146 1 162 . 1 1 21 21 GLY HA3 H 1 4.037 0.020 . 2 . . . . A 38 GLY HA3 . 34146 1 163 . 1 1 21 21 GLY CA C 13 45.122 0.400 . 2 . . . . A 38 GLY CA . 34146 1 164 . 1 1 21 21 GLY N N 15 109.282 0.400 . 2 . . . . A 38 GLY N . 34146 1 165 . 1 1 22 22 SER H H 1 8.291 0.020 . 2 . . . . A 39 SER H . 34146 1 166 . 1 1 22 22 SER HA H 1 4.407 0.020 . 2 . . . . A 39 SER HA . 34146 1 167 . 1 1 22 22 SER HB2 H 1 3.847 0.020 . 2 . . . . A 39 SER HB2 . 34146 1 168 . 1 1 22 22 SER HB3 H 1 3.847 0.020 . 2 . . . . A 39 SER HB3 . 34146 1 169 . 1 1 22 22 SER C C 13 174.029 0.400 . 2 . . . . A 39 SER C . 34146 1 170 . 1 1 22 22 SER CA C 13 58.535 0.400 . 2 . . . . A 39 SER CA . 34146 1 171 . 1 1 22 22 SER CB C 13 63.955 0.400 . 2 . . . . A 39 SER CB . 34146 1 172 . 1 1 22 22 SER N N 15 115.838 0.400 . 2 . . . . A 39 SER N . 34146 1 173 . 1 1 23 23 GLN H H 1 8.375 0.020 . 2 . . . . A 40 GLN H . 34146 1 174 . 1 1 23 23 GLN HA H 1 4.471 0.020 . 2 . . . . A 40 GLN HA . 34146 1 175 . 1 1 23 23 GLN HB2 H 1 2.058 0.020 . 2 . . . . A 40 GLN HB2 . 34146 1 176 . 1 1 23 23 GLN HB3 H 1 2.058 0.020 . 2 . . . . A 40 GLN HB3 . 34146 1 177 . 1 1 23 23 GLN HG2 H 1 2.374 0.020 . 2 . . . . A 40 GLN HG2 . 34146 1 178 . 1 1 23 23 GLN HG3 H 1 2.421 0.020 . 2 . . . . A 40 GLN HG3 . 34146 1 179 . 1 1 23 23 GLN C C 13 174.666 0.400 . 2 . . . . A 40 GLN C . 34146 1 180 . 1 1 23 23 GLN CA C 13 56.618 0.400 . 2 . . . . A 40 GLN CA . 34146 1 181 . 1 1 23 23 GLN CB C 13 29.722 0.400 . 2 . . . . A 40 GLN CB . 34146 1 182 . 1 1 23 23 GLN CG C 13 34.153 0.400 . 2 . . . . A 40 GLN CG . 34146 1 183 . 1 1 23 23 GLN N N 15 121.149 0.400 . 2 . . . . A 40 GLN N . 34146 1 184 . 1 1 24 24 CYS H H 1 7.214 0.020 . 2 . . . . A 41 CYS H . 34146 1 185 . 1 1 24 24 CYS HA H 1 4.690 0.020 . 2 . . . . A 41 CYS HA . 34146 1 186 . 1 1 24 24 CYS HB2 H 1 3.124 0.020 . 2 . . . . A 41 CYS HB2 . 34146 1 187 . 1 1 24 24 CYS HB3 H 1 3.124 0.020 . 2 . . . . A 41 CYS HB3 . 34146 1 188 . 1 1 24 24 CYS C C 13 171.910 0.400 . 2 . . . . A 41 CYS C . 34146 1 189 . 1 1 24 24 CYS CA C 13 53.715 0.400 . 2 . . . . A 41 CYS CA . 34146 1 190 . 1 1 24 24 CYS CB C 13 46.967 0.400 . 2 . . . . A 41 CYS CB . 34146 1 191 . 1 1 24 24 CYS N N 15 114.182 0.400 . 2 . . . . A 41 CYS N . 34146 1 192 . 1 1 25 25 LEU H H 1 9.203 0.020 . 2 . . . . A 42 LEU H . 34146 1 193 . 1 1 25 25 LEU HA H 1 4.495 0.020 . 2 . . . . A 42 LEU HA . 34146 1 194 . 1 1 25 25 LEU HB2 H 1 1.545 0.020 . 2 . . . . A 42 LEU HB2 . 34146 1 195 . 1 1 25 25 LEU HB3 H 1 1.639 0.020 . 2 . . . . A 42 LEU HB3 . 34146 1 196 . 1 1 25 25 LEU HG H 1 1.530 0.020 . 2 . . . . A 42 LEU HG . 34146 1 197 . 1 1 25 25 LEU HD11 H 1 0.870 0.020 . 2 . . . . A 42 LEU HD11 . 34146 1 198 . 1 1 25 25 LEU HD12 H 1 0.870 0.020 . 2 . . . . A 42 LEU HD12 . 34146 1 199 . 1 1 25 25 LEU HD13 H 1 0.870 0.020 . 2 . . . . A 42 LEU HD13 . 34146 1 200 . 1 1 25 25 LEU HD21 H 1 0.867 0.020 . 2 . . . . A 42 LEU HD21 . 34146 1 201 . 1 1 25 25 LEU HD22 H 1 0.867 0.020 . 2 . . . . A 42 LEU HD22 . 34146 1 202 . 1 1 25 25 LEU HD23 H 1 0.867 0.020 . 2 . . . . A 42 LEU HD23 . 34146 1 203 . 1 1 25 25 LEU C C 13 176.659 0.400 . 2 . . . . A 42 LEU C . 34146 1 204 . 1 1 25 25 LEU CA C 13 55.305 0.400 . 2 . . . . A 42 LEU CA . 34146 1 205 . 1 1 25 25 LEU CB C 13 44.247 0.400 . 2 . . . . A 42 LEU CB . 34146 1 206 . 1 1 25 25 LEU CG C 13 27.252 0.400 . 2 . . . . A 42 LEU CG . 34146 1 207 . 1 1 25 25 LEU CD1 C 13 24.980 0.400 . 2 . . . . A 42 LEU CD1 . 34146 1 208 . 1 1 25 25 LEU CD2 C 13 23.624 0.400 . 2 . . . . A 42 LEU CD2 . 34146 1 209 . 1 1 25 25 LEU N N 15 119.347 0.400 . 2 . . . . A 42 LEU N . 34146 1 210 . 1 1 26 26 SER H H 1 8.057 0.020 . 2 . . . . A 43 SER H . 34146 1 211 . 1 1 26 26 SER HA H 1 4.623 0.020 . 2 . . . . A 43 SER HA . 34146 1 212 . 1 1 26 26 SER HB2 H 1 3.728 0.020 . 2 . . . . A 43 SER HB2 . 34146 1 213 . 1 1 26 26 SER HB3 H 1 3.917 0.020 . 2 . . . . A 43 SER HB3 . 34146 1 214 . 1 1 26 26 SER CA C 13 56.365 0.400 . 2 . . . . A 43 SER CA . 34146 1 215 . 1 1 26 26 SER CB C 13 65.557 0.400 . 2 . . . . A 43 SER CB . 34146 1 216 . 1 1 26 26 SER N N 15 113.540 0.400 . 2 . . . . A 43 SER N . 34146 1 217 . 1 1 27 27 ASP HA H 1 4.223 0.020 . 2 . . . . A 44 ASP HA . 34146 1 218 . 1 1 27 27 ASP HB2 H 1 2.532 0.020 . 2 . . . . A 44 ASP HB2 . 34146 1 219 . 1 1 27 27 ASP HB3 H 1 2.973 0.020 . 2 . . . . A 44 ASP HB3 . 34146 1 220 . 1 1 27 27 ASP C C 13 178.159 0.400 . 2 . . . . A 44 ASP C . 34146 1 221 . 1 1 27 27 ASP CA C 13 59.139 0.400 . 2 . . . . A 44 ASP CA . 34146 1 222 . 1 1 27 27 ASP CB C 13 40.937 0.400 . 2 . . . . A 44 ASP CB . 34146 1 223 . 1 1 28 28 THR H H 1 7.703 0.020 . 2 . . . . A 45 THR H . 34146 1 224 . 1 1 28 28 THR HA H 1 4.151 0.020 . 2 . . . . A 45 THR HA . 34146 1 225 . 1 1 28 28 THR HB H 1 4.308 0.020 . 2 . . . . A 45 THR HB . 34146 1 226 . 1 1 28 28 THR HG21 H 1 1.240 0.020 . 2 . . . . A 45 THR HG21 . 34146 1 227 . 1 1 28 28 THR HG22 H 1 1.240 0.020 . 2 . . . . A 45 THR HG22 . 34146 1 228 . 1 1 28 28 THR HG23 H 1 1.240 0.020 . 2 . . . . A 45 THR HG23 . 34146 1 229 . 1 1 28 28 THR C C 13 175.381 0.400 . 2 . . . . A 45 THR C . 34146 1 230 . 1 1 28 28 THR CA C 13 63.765 0.400 . 2 . . . . A 45 THR CA . 34146 1 231 . 1 1 28 28 THR CB C 13 68.335 0.400 . 2 . . . . A 45 THR CB . 34146 1 232 . 1 1 28 28 THR CG2 C 13 22.035 0.400 . 2 . . . . A 45 THR CG2 . 34146 1 233 . 1 1 28 28 THR N N 15 108.939 0.400 . 2 . . . . A 45 THR N . 34146 1 234 . 1 1 29 29 ASP H H 1 7.549 0.020 . 2 . . . . A 46 ASP H . 34146 1 235 . 1 1 29 29 ASP HA H 1 4.571 0.020 . 2 . . . . A 46 ASP HA . 34146 1 236 . 1 1 29 29 ASP HB2 H 1 2.869 0.020 . 2 . . . . A 46 ASP HB2 . 34146 1 237 . 1 1 29 29 ASP HB3 H 1 2.960 0.020 . 2 . . . . A 46 ASP HB3 . 34146 1 238 . 1 1 29 29 ASP C C 13 176.238 0.400 . 2 . . . . A 46 ASP C . 34146 1 239 . 1 1 29 29 ASP CB C 13 42.294 0.400 . 2 . . . . A 46 ASP CB . 34146 1 240 . 1 1 29 29 ASP N N 15 119.513 0.400 . 2 . . . . A 46 ASP N . 34146 1 241 . 1 1 30 30 CYS H H 1 7.536 0.020 . 2 . . . . A 47 CYS H . 34146 1 242 . 1 1 30 30 CYS HA H 1 4.843 0.020 . 2 . . . . A 47 CYS HA . 34146 1 243 . 1 1 30 30 CYS HB2 H 1 2.545 0.020 . 2 . . . . A 47 CYS HB2 . 34146 1 244 . 1 1 30 30 CYS HB3 H 1 2.917 0.020 . 2 . . . . A 47 CYS HB3 . 34146 1 245 . 1 1 30 30 CYS C C 13 173.709 0.400 . 2 . . . . A 47 CYS C . 34146 1 246 . 1 1 30 30 CYS CA C 13 52.508 0.400 . 2 . . . . A 47 CYS CA . 34146 1 247 . 1 1 30 30 CYS CB C 13 39.876 0.400 . 2 . . . . A 47 CYS CB . 34146 1 248 . 1 1 30 30 CYS N N 15 116.938 0.400 . 2 . . . . A 47 CYS N . 34146 1 249 . 1 1 31 31 ASN H H 1 8.212 0.020 . 2 . . . . A 48 ASN H . 34146 1 250 . 1 1 31 31 ASN HA H 1 4.609 0.020 . 2 . . . . A 48 ASN HA . 34146 1 251 . 1 1 31 31 ASN HB2 H 1 2.724 0.020 . 2 . . . . A 48 ASN HB2 . 34146 1 252 . 1 1 31 31 ASN HB3 H 1 2.927 0.020 . 2 . . . . A 48 ASN HB3 . 34146 1 253 . 1 1 31 31 ASN C C 13 173.744 0.400 . 2 . . . . A 48 ASN C . 34146 1 254 . 1 1 31 31 ASN CA C 13 52.975 0.400 . 2 . . . . A 48 ASN CA . 34146 1 255 . 1 1 31 31 ASN CB C 13 39.499 0.400 . 2 . . . . A 48 ASN CB . 34146 1 256 . 1 1 31 31 ASN N N 15 118.213 0.400 . 2 . . . . A 48 ASN N . 34146 1 257 . 1 1 32 32 THR H H 1 7.965 0.020 . 2 . . . . A 49 THR H . 34146 1 258 . 1 1 32 32 THR HA H 1 4.051 0.020 . 2 . . . . A 49 THR HA . 34146 1 259 . 1 1 32 32 THR HB H 1 4.045 0.020 . 2 . . . . A 49 THR HB . 34146 1 260 . 1 1 32 32 THR HG21 H 1 1.285 0.020 . 2 . . . . A 49 THR HG21 . 34146 1 261 . 1 1 32 32 THR HG22 H 1 1.285 0.020 . 2 . . . . A 49 THR HG22 . 34146 1 262 . 1 1 32 32 THR HG23 H 1 1.285 0.020 . 2 . . . . A 49 THR HG23 . 34146 1 263 . 1 1 32 32 THR C C 13 174.367 0.400 . 2 . . . . A 49 THR C . 34146 1 264 . 1 1 32 32 THR CA C 13 64.269 0.400 . 2 . . . . A 49 THR CA . 34146 1 265 . 1 1 32 32 THR CB C 13 69.120 0.400 . 2 . . . . A 49 THR CB . 34146 1 266 . 1 1 32 32 THR CG2 C 13 21.931 0.400 . 2 . . . . A 49 THR CG2 . 34146 1 267 . 1 1 32 32 THR N N 15 112.169 0.400 . 2 . . . . A 49 THR N . 34146 1 268 . 1 1 33 33 ARG H H 1 8.869 0.020 . 2 . . . . A 50 ARG H . 34146 1 269 . 1 1 33 33 ARG HA H 1 3.758 0.020 . 2 . . . . A 50 ARG HA . 34146 1 270 . 1 1 33 33 ARG HB2 H 1 2.180 0.020 . 2 . . . . A 50 ARG HB2 . 34146 1 271 . 1 1 33 33 ARG HB3 H 1 2.369 0.020 . 2 . . . . A 50 ARG HB3 . 34146 1 272 . 1 1 33 33 ARG HG2 H 1 1.388 0.020 . 2 . . . . A 50 ARG HG2 . 34146 1 273 . 1 1 33 33 ARG HG3 H 1 1.639 0.020 . 2 . . . . A 50 ARG HG3 . 34146 1 274 . 1 1 33 33 ARG HD2 H 1 3.149 0.020 . 2 . . . . A 50 ARG HD2 . 34146 1 275 . 1 1 33 33 ARG HD3 H 1 3.322 0.020 . 2 . . . . A 50 ARG HD3 . 34146 1 276 . 1 1 33 33 ARG C C 13 174.537 0.400 . 2 . . . . A 50 ARG C . 34146 1 277 . 1 1 33 33 ARG CA C 13 59.036 0.400 . 2 . . . . A 50 ARG CA . 34146 1 278 . 1 1 33 33 ARG CB C 13 28.211 0.400 . 2 . . . . A 50 ARG CB . 34146 1 279 . 1 1 33 33 ARG CG C 13 29.387 0.400 . 2 . . . . A 50 ARG CG . 34146 1 280 . 1 1 33 33 ARG CD C 13 43.236 0.400 . 2 . . . . A 50 ARG CD . 34146 1 281 . 1 1 33 33 ARG N N 15 116.405 0.400 . 2 . . . . A 50 ARG N . 34146 1 282 . 1 1 34 34 LYS H H 1 8.096 0.020 . 2 . . . . A 51 LYS H . 34146 1 283 . 1 1 34 34 LYS HA H 1 5.327 0.020 . 2 . . . . A 51 LYS HA . 34146 1 284 . 1 1 34 34 LYS HB2 H 1 1.464 0.020 . 2 . . . . A 51 LYS HB2 . 34146 1 285 . 1 1 34 34 LYS HB3 H 1 1.865 0.020 . 2 . . . . A 51 LYS HB3 . 34146 1 286 . 1 1 34 34 LYS HG2 H 1 1.083 0.020 . 2 . . . . A 51 LYS HG2 . 34146 1 287 . 1 1 34 34 LYS HG3 H 1 1.323 0.020 . 2 . . . . A 51 LYS HG3 . 34146 1 288 . 1 1 34 34 LYS HD2 H 1 1.326 0.020 . 2 . . . . A 51 LYS HD2 . 34146 1 289 . 1 1 34 34 LYS HD3 H 1 1.463 0.020 . 2 . . . . A 51 LYS HD3 . 34146 1 290 . 1 1 34 34 LYS HE2 H 1 2.865 0.020 . 2 . . . . A 51 LYS HE2 . 34146 1 291 . 1 1 34 34 LYS HE3 H 1 2.865 0.020 . 2 . . . . A 51 LYS HE3 . 34146 1 292 . 1 1 34 34 LYS C C 13 174.344 0.400 . 2 . . . . A 51 LYS C . 34146 1 293 . 1 1 34 34 LYS CA C 13 55.202 0.400 . 2 . . . . A 51 LYS CA . 34146 1 294 . 1 1 34 34 LYS CB C 13 37.814 0.400 . 2 . . . . A 51 LYS CB . 34146 1 295 . 1 1 34 34 LYS CG C 13 26.272 0.400 . 2 . . . . A 51 LYS CG . 34146 1 296 . 1 1 34 34 LYS CD C 13 30.228 0.400 . 2 . . . . A 51 LYS CD . 34146 1 297 . 1 1 34 34 LYS CE C 13 42.630 0.400 . 2 . . . . A 51 LYS CE . 34146 1 298 . 1 1 34 34 LYS N N 15 118.916 0.400 . 2 . . . . A 51 LYS N . 34146 1 299 . 1 1 35 35 PHE H H 1 8.751 0.020 . 2 . . . . A 52 PHE H . 34146 1 300 . 1 1 35 35 PHE HA H 1 4.676 0.020 . 2 . . . . A 52 PHE HA . 34146 1 301 . 1 1 35 35 PHE HB2 H 1 2.794 0.020 . 2 . . . . A 52 PHE HB2 . 34146 1 302 . 1 1 35 35 PHE HB3 H 1 2.868 0.020 . 2 . . . . A 52 PHE HB3 . 34146 1 303 . 1 1 35 35 PHE HD1 H 1 6.781 0.020 . 2 . . . . A 52 PHE HD1 . 34146 1 304 . 1 1 35 35 PHE HD2 H 1 6.781 0.020 . 2 . . . . A 52 PHE HD2 . 34146 1 305 . 1 1 35 35 PHE HE1 H 1 7.265 0.020 . 2 . . . . A 52 PHE HE1 . 34146 1 306 . 1 1 35 35 PHE HE2 H 1 7.265 0.020 . 2 . . . . A 52 PHE HE2 . 34146 1 307 . 1 1 35 35 PHE HZ H 1 7.088 0.020 . 2 . . . . A 52 PHE HZ . 34146 1 308 . 1 1 35 35 PHE C C 13 171.679 0.400 . 2 . . . . A 52 PHE C . 34146 1 309 . 1 1 35 35 PHE CA C 13 55.541 0.400 . 2 . . . . A 52 PHE CA . 34146 1 310 . 1 1 35 35 PHE CB C 13 40.449 0.400 . 2 . . . . A 52 PHE CB . 34146 1 311 . 1 1 35 35 PHE N N 15 116.465 0.400 . 2 . . . . A 52 PHE N . 34146 1 312 . 1 1 36 36 CYS H H 1 9.725 0.020 . 2 . . . . A 53 CYS H . 34146 1 313 . 1 1 36 36 CYS HA H 1 4.500 0.020 . 2 . . . . A 53 CYS HA . 34146 1 314 . 1 1 36 36 CYS HB2 H 1 2.540 0.020 . 2 . . . . A 53 CYS HB2 . 34146 1 315 . 1 1 36 36 CYS HB3 H 1 2.671 0.020 . 2 . . . . A 53 CYS HB3 . 34146 1 316 . 1 1 36 36 CYS C C 13 172.156 0.400 . 2 . . . . A 53 CYS C . 34146 1 317 . 1 1 36 36 CYS CA C 13 55.130 0.400 . 2 . . . . A 53 CYS CA . 34146 1 318 . 1 1 36 36 CYS CB C 13 38.828 0.400 . 2 . . . . A 53 CYS CB . 34146 1 319 . 1 1 36 36 CYS N N 15 121.866 0.400 . 2 . . . . A 53 CYS N . 34146 1 320 . 1 1 37 37 LEU H H 1 8.482 0.020 . 2 . . . . A 54 LEU H . 34146 1 321 . 1 1 37 37 LEU HA H 1 4.268 0.020 . 2 . . . . A 54 LEU HA . 34146 1 322 . 1 1 37 37 LEU HB2 H 1 0.708 0.020 . 2 . . . . A 54 LEU HB2 . 34146 1 323 . 1 1 37 37 LEU HB3 H 1 0.952 0.020 . 2 . . . . A 54 LEU HB3 . 34146 1 324 . 1 1 37 37 LEU HG H 1 1.165 0.020 . 2 . . . . A 54 LEU HG . 34146 1 325 . 1 1 37 37 LEU HD11 H 1 0.905 0.020 . 2 . . . . A 54 LEU HD11 . 34146 1 326 . 1 1 37 37 LEU HD12 H 1 0.905 0.020 . 2 . . . . A 54 LEU HD12 . 34146 1 327 . 1 1 37 37 LEU HD13 H 1 0.905 0.020 . 2 . . . . A 54 LEU HD13 . 34146 1 328 . 1 1 37 37 LEU HD21 H 1 0.661 0.020 . 2 . . . . A 54 LEU HD21 . 34146 1 329 . 1 1 37 37 LEU HD22 H 1 0.661 0.020 . 2 . . . . A 54 LEU HD22 . 34146 1 330 . 1 1 37 37 LEU HD23 H 1 0.661 0.020 . 2 . . . . A 54 LEU HD23 . 34146 1 331 . 1 1 37 37 LEU C C 13 174.899 0.400 . 2 . . . . A 54 LEU C . 34146 1 332 . 1 1 37 37 LEU CA C 13 54.814 0.400 . 2 . . . . A 54 LEU CA . 34146 1 333 . 1 1 37 37 LEU CB C 13 42.749 0.400 . 2 . . . . A 54 LEU CB . 34146 1 334 . 1 1 37 37 LEU CG C 13 27.893 0.400 . 2 . . . . A 54 LEU CG . 34146 1 335 . 1 1 37 37 LEU CD1 C 13 23.883 0.400 . 2 . . . . A 54 LEU CD1 . 34146 1 336 . 1 1 37 37 LEU CD2 C 13 25.706 0.400 . 2 . . . . A 54 LEU CD2 . 34146 1 337 . 1 1 37 37 LEU N N 15 135.808 0.400 . 2 . . . . A 54 LEU N . 34146 1 338 . 1 1 38 38 GLN H H 1 8.176 0.020 . 2 . . . . A 55 GLN H . 34146 1 339 . 1 1 38 38 GLN HA H 1 4.649 0.020 . 2 . . . . A 55 GLN HA . 34146 1 340 . 1 1 38 38 GLN HB2 H 1 1.899 0.020 . 2 . . . . A 55 GLN HB2 . 34146 1 341 . 1 1 38 38 GLN HB3 H 1 2.007 0.020 . 2 . . . . A 55 GLN HB3 . 34146 1 342 . 1 1 38 38 GLN HG2 H 1 2.112 0.020 . 2 . . . . A 55 GLN HG2 . 34146 1 343 . 1 1 38 38 GLN HG3 H 1 2.112 0.020 . 2 . . . . A 55 GLN HG3 . 34146 1 344 . 1 1 38 38 GLN CA C 13 52.499 0.400 . 2 . . . . A 55 GLN CA . 34146 1 345 . 1 1 38 38 GLN CB C 13 29.056 0.400 . 2 . . . . A 55 GLN CB . 34146 1 346 . 1 1 38 38 GLN CG C 13 33.645 0.400 . 2 . . . . A 55 GLN CG . 34146 1 347 . 1 1 38 38 GLN N N 15 124.725 0.400 . 2 . . . . A 55 GLN N . 34146 1 348 . 1 1 39 39 PRO HA H 1 4.536 0.020 . 2 . . . . A 56 PRO HA . 34146 1 349 . 1 1 39 39 PRO HB2 H 1 1.827 0.020 . 2 . . . . A 56 PRO HB2 . 34146 1 350 . 1 1 39 39 PRO HB3 H 1 2.349 0.020 . 2 . . . . A 56 PRO HB3 . 34146 1 351 . 1 1 39 39 PRO HG2 H 1 1.797 0.020 . 2 . . . . A 56 PRO HG2 . 34146 1 352 . 1 1 39 39 PRO HG3 H 1 1.942 0.020 . 2 . . . . A 56 PRO HG3 . 34146 1 353 . 1 1 39 39 PRO HD2 H 1 3.314 0.020 . 2 . . . . A 56 PRO HD2 . 34146 1 354 . 1 1 39 39 PRO HD3 H 1 3.888 0.020 . 2 . . . . A 56 PRO HD3 . 34146 1 355 . 1 1 39 39 PRO C C 13 176.665 0.400 . 2 . . . . A 56 PRO C . 34146 1 356 . 1 1 39 39 PRO CA C 13 61.724 0.400 . 2 . . . . A 56 PRO CA . 34146 1 357 . 1 1 39 39 PRO CB C 13 32.415 0.400 . 2 . . . . A 56 PRO CB . 34146 1 358 . 1 1 39 39 PRO CG C 13 27.791 0.400 . 2 . . . . A 56 PRO CG . 34146 1 359 . 1 1 39 39 PRO CD C 13 50.810 0.400 . 2 . . . . A 56 PRO CD . 34146 1 360 . 1 1 40 40 ARG H H 1 8.524 0.020 . 2 . . . . A 57 ARG H . 34146 1 361 . 1 1 40 40 ARG HA H 1 4.039 0.020 . 2 . . . . A 57 ARG HA . 34146 1 362 . 1 1 40 40 ARG HB2 H 1 1.744 0.020 . 2 . . . . A 57 ARG HB2 . 34146 1 363 . 1 1 40 40 ARG HB3 H 1 1.785 0.020 . 2 . . . . A 57 ARG HB3 . 34146 1 364 . 1 1 40 40 ARG HG2 H 1 1.596 0.020 . 2 . . . . A 57 ARG HG2 . 34146 1 365 . 1 1 40 40 ARG HG3 H 1 1.651 0.020 . 2 . . . . A 57 ARG HG3 . 34146 1 366 . 1 1 40 40 ARG HD2 H 1 3.183 0.020 . 2 . . . . A 57 ARG HD2 . 34146 1 367 . 1 1 40 40 ARG HD3 H 1 3.183 0.020 . 2 . . . . A 57 ARG HD3 . 34146 1 368 . 1 1 40 40 ARG C C 13 177.251 0.400 . 2 . . . . A 57 ARG C . 34146 1 369 . 1 1 40 40 ARG CA C 13 58.122 0.400 . 2 . . . . A 57 ARG CA . 34146 1 370 . 1 1 40 40 ARG CB C 13 30.125 0.400 . 2 . . . . A 57 ARG CB . 34146 1 371 . 1 1 40 40 ARG CG C 13 26.976 0.400 . 2 . . . . A 57 ARG CG . 34146 1 372 . 1 1 40 40 ARG CD C 13 43.278 0.400 . 2 . . . . A 57 ARG CD . 34146 1 373 . 1 1 40 40 ARG N N 15 120.343 0.400 . 2 . . . . A 57 ARG N . 34146 1 374 . 1 1 41 41 ASP H H 1 8.537 0.020 . 2 . . . . A 58 ASP H . 34146 1 375 . 1 1 41 41 ASP HA H 1 4.511 0.020 . 2 . . . . A 58 ASP HA . 34146 1 376 . 1 1 41 41 ASP HB2 H 1 2.755 0.020 . 2 . . . . A 58 ASP HB2 . 34146 1 377 . 1 1 41 41 ASP HB3 H 1 2.755 0.020 . 2 . . . . A 58 ASP HB3 . 34146 1 378 . 1 1 41 41 ASP C C 13 174.955 0.400 . 2 . . . . A 58 ASP C . 34146 1 379 . 1 1 41 41 ASP CA C 13 54.992 0.400 . 2 . . . . A 58 ASP CA . 34146 1 380 . 1 1 41 41 ASP CB C 13 40.825 0.400 . 2 . . . . A 58 ASP CB . 34146 1 381 . 1 1 41 41 ASP N N 15 117.369 0.400 . 2 . . . . A 58 ASP N . 34146 1 382 . 1 1 42 42 GLU H H 1 7.322 0.020 . 2 . . . . A 59 GLU H . 34146 1 383 . 1 1 42 42 GLU HA H 1 4.595 0.020 . 2 . . . . A 59 GLU HA . 34146 1 384 . 1 1 42 42 GLU HB2 H 1 1.691 0.020 . 2 . . . . A 59 GLU HB2 . 34146 1 385 . 1 1 42 42 GLU HB3 H 1 2.184 0.020 . 2 . . . . A 59 GLU HB3 . 34146 1 386 . 1 1 42 42 GLU HG2 H 1 2.264 0.020 . 2 . . . . A 59 GLU HG2 . 34146 1 387 . 1 1 42 42 GLU HG3 H 1 2.264 0.020 . 2 . . . . A 59 GLU HG3 . 34146 1 388 . 1 1 42 42 GLU C C 13 175.137 0.400 . 2 . . . . A 59 GLU C . 34146 1 389 . 1 1 42 42 GLU CA C 13 54.816 0.400 . 2 . . . . A 59 GLU CA . 34146 1 390 . 1 1 42 42 GLU CB C 13 33.388 0.400 . 2 . . . . A 59 GLU CB . 34146 1 391 . 1 1 42 42 GLU CG C 13 36.510 0.400 . 2 . . . . A 59 GLU CG . 34146 1 392 . 1 1 42 42 GLU N N 15 116.945 0.400 . 2 . . . . A 59 GLU N . 34146 1 393 . 1 1 43 43 LYS H H 1 8.377 0.020 . 2 . . . . A 60 LYS H . 34146 1 394 . 1 1 43 43 LYS HA H 1 4.533 0.020 . 2 . . . . A 60 LYS HA . 34146 1 395 . 1 1 43 43 LYS HB2 H 1 1.783 0.020 . 2 . . . . A 60 LYS HB2 . 34146 1 396 . 1 1 43 43 LYS HB3 H 1 1.845 0.020 . 2 . . . . A 60 LYS HB3 . 34146 1 397 . 1 1 43 43 LYS HG2 H 1 1.536 0.020 . 2 . . . . A 60 LYS HG2 . 34146 1 398 . 1 1 43 43 LYS HG3 H 1 1.579 0.020 . 2 . . . . A 60 LYS HG3 . 34146 1 399 . 1 1 43 43 LYS HD2 H 1 1.665 0.020 . 2 . . . . A 60 LYS HD2 . 34146 1 400 . 1 1 43 43 LYS HD3 H 1 1.714 0.020 . 2 . . . . A 60 LYS HD3 . 34146 1 401 . 1 1 43 43 LYS HE2 H 1 2.982 0.020 . 2 . . . . A 60 LYS HE2 . 34146 1 402 . 1 1 43 43 LYS HE3 H 1 2.982 0.020 . 2 . . . . A 60 LYS HE3 . 34146 1 403 . 1 1 43 43 LYS CA C 13 54.843 0.400 . 2 . . . . A 60 LYS CA . 34146 1 404 . 1 1 43 43 LYS CB C 13 31.914 0.400 . 2 . . . . A 60 LYS CB . 34146 1 405 . 1 1 43 43 LYS CG C 13 25.141 0.400 . 2 . . . . A 60 LYS CG . 34146 1 406 . 1 1 43 43 LYS CD C 13 29.216 0.400 . 2 . . . . A 60 LYS CD . 34146 1 407 . 1 1 43 43 LYS CE C 13 42.067 0.400 . 2 . . . . A 60 LYS CE . 34146 1 408 . 1 1 43 43 LYS N N 15 121.223 0.400 . 2 . . . . A 60 LYS N . 34146 1 409 . 1 1 44 44 PRO HA H 1 4.931 0.020 . 2 . . . . A 61 PRO HA . 34146 1 410 . 1 1 44 44 PRO HB2 H 1 2.105 0.020 . 2 . . . . A 61 PRO HB2 . 34146 1 411 . 1 1 44 44 PRO HB3 H 1 2.194 0.020 . 2 . . . . A 61 PRO HB3 . 34146 1 412 . 1 1 44 44 PRO HG2 H 1 1.952 0.020 . 2 . . . . A 61 PRO HG2 . 34146 1 413 . 1 1 44 44 PRO HG3 H 1 2.189 0.020 . 2 . . . . A 61 PRO HG3 . 34146 1 414 . 1 1 44 44 PRO HD2 H 1 3.666 0.020 . 2 . . . . A 61 PRO HD2 . 34146 1 415 . 1 1 44 44 PRO HD3 H 1 3.957 0.020 . 2 . . . . A 61 PRO HD3 . 34146 1 416 . 1 1 44 44 PRO C C 13 176.329 0.400 . 2 . . . . A 61 PRO C . 34146 1 417 . 1 1 44 44 PRO CA C 13 63.180 0.400 . 2 . . . . A 61 PRO CA . 34146 1 418 . 1 1 44 44 PRO CB C 13 33.032 0.400 . 2 . . . . A 61 PRO CB . 34146 1 419 . 1 1 44 44 PRO CG C 13 28.176 0.400 . 2 . . . . A 61 PRO CG . 34146 1 420 . 1 1 44 44 PRO CD C 13 51.011 0.400 . 2 . . . . A 61 PRO CD . 34146 1 421 . 1 1 45 45 PHE H H 1 8.181 0.020 . 2 . . . . A 62 PHE H . 34146 1 422 . 1 1 45 45 PHE HA H 1 5.053 0.020 . 2 . . . . A 62 PHE HA . 34146 1 423 . 1 1 45 45 PHE HB2 H 1 2.736 0.020 . 2 . . . . A 62 PHE HB2 . 34146 1 424 . 1 1 45 45 PHE HB3 H 1 2.989 0.020 . 2 . . . . A 62 PHE HB3 . 34146 1 425 . 1 1 45 45 PHE HD1 H 1 7.136 0.020 . 2 . . . . A 62 PHE HD1 . 34146 1 426 . 1 1 45 45 PHE HD2 H 1 7.136 0.020 . 2 . . . . A 62 PHE HD2 . 34146 1 427 . 1 1 45 45 PHE HE1 H 1 7.183 0.020 . 2 . . . . A 62 PHE HE1 . 34146 1 428 . 1 1 45 45 PHE HE2 H 1 7.183 0.020 . 2 . . . . A 62 PHE HE2 . 34146 1 429 . 1 1 45 45 PHE C C 13 173.453 0.400 . 2 . . . . A 62 PHE C . 34146 1 430 . 1 1 45 45 PHE CA C 13 55.759 0.400 . 2 . . . . A 62 PHE CA . 34146 1 431 . 1 1 45 45 PHE CB C 13 41.822 0.400 . 2 . . . . A 62 PHE CB . 34146 1 432 . 1 1 45 45 PHE N N 15 116.909 0.400 . 2 . . . . A 62 PHE N . 34146 1 433 . 1 1 46 46 CYS H H 1 8.507 0.020 . 2 . . . . A 63 CYS H . 34146 1 434 . 1 1 46 46 CYS HA H 1 4.991 0.020 . 2 . . . . A 63 CYS HA . 34146 1 435 . 1 1 46 46 CYS HB2 H 1 2.571 0.020 . 2 . . . . A 63 CYS HB2 . 34146 1 436 . 1 1 46 46 CYS HB3 H 1 2.856 0.020 . 2 . . . . A 63 CYS HB3 . 34146 1 437 . 1 1 46 46 CYS C C 13 173.496 0.400 . 2 . . . . A 63 CYS C . 34146 1 438 . 1 1 46 46 CYS CA C 13 54.639 0.400 . 2 . . . . A 63 CYS CA . 34146 1 439 . 1 1 46 46 CYS CB C 13 39.820 0.400 . 2 . . . . A 63 CYS CB . 34146 1 440 . 1 1 46 46 CYS N N 15 117.526 0.400 . 2 . . . . A 63 CYS N . 34146 1 441 . 1 1 47 47 ALA H H 1 8.993 0.020 . 2 . . . . A 64 ALA H . 34146 1 442 . 1 1 47 47 ALA HA H 1 4.583 0.020 . 2 . . . . A 64 ALA HA . 34146 1 443 . 1 1 47 47 ALA HB1 H 1 0.650 0.020 . 2 . . . . A 64 ALA HB1 . 34146 1 444 . 1 1 47 47 ALA HB2 H 1 0.650 0.020 . 2 . . . . A 64 ALA HB2 . 34146 1 445 . 1 1 47 47 ALA HB3 H 1 0.650 0.020 . 2 . . . . A 64 ALA HB3 . 34146 1 446 . 1 1 47 47 ALA C C 13 175.783 0.400 . 2 . . . . A 64 ALA C . 34146 1 447 . 1 1 47 47 ALA CA C 13 50.039 0.400 . 2 . . . . A 64 ALA CA . 34146 1 448 . 1 1 47 47 ALA CB C 13 22.745 0.400 . 2 . . . . A 64 ALA CB . 34146 1 449 . 1 1 47 47 ALA N N 15 131.821 0.400 . 2 . . . . A 64 ALA N . 34146 1 450 . 1 1 48 48 THR H H 1 8.237 0.020 . 2 . . . . A 65 THR H . 34146 1 451 . 1 1 48 48 THR HA H 1 4.102 0.020 . 2 . . . . A 65 THR HA . 34146 1 452 . 1 1 48 48 THR HB H 1 4.121 0.020 . 2 . . . . A 65 THR HB . 34146 1 453 . 1 1 48 48 THR HG21 H 1 1.526 0.020 . 2 . . . . A 65 THR HG21 . 34146 1 454 . 1 1 48 48 THR HG22 H 1 1.526 0.020 . 2 . . . . A 65 THR HG22 . 34146 1 455 . 1 1 48 48 THR HG23 H 1 1.526 0.020 . 2 . . . . A 65 THR HG23 . 34146 1 456 . 1 1 48 48 THR C C 13 174.072 0.400 . 2 . . . . A 65 THR C . 34146 1 457 . 1 1 48 48 THR CA C 13 64.099 0.400 . 2 . . . . A 65 THR CA . 34146 1 458 . 1 1 48 48 THR CB C 13 69.546 0.400 . 2 . . . . A 65 THR CB . 34146 1 459 . 1 1 48 48 THR CG2 C 13 22.294 0.400 . 2 . . . . A 65 THR CG2 . 34146 1 460 . 1 1 48 48 THR N N 15 114.555 0.400 . 2 . . . . A 65 THR N . 34146 1 461 . 1 1 49 49 CYS H H 1 8.212 0.020 . 2 . . . . A 66 CYS H . 34146 1 462 . 1 1 49 49 CYS HA H 1 4.472 0.020 . 2 . . . . A 66 CYS HA . 34146 1 463 . 1 1 49 49 CYS HB2 H 1 2.706 0.020 . 2 . . . . A 66 CYS HB2 . 34146 1 464 . 1 1 49 49 CYS HB3 H 1 3.247 0.020 . 2 . . . . A 66 CYS HB3 . 34146 1 465 . 1 1 49 49 CYS C C 13 173.018 0.400 . 2 . . . . A 66 CYS C . 34146 1 466 . 1 1 49 49 CYS CA C 13 55.768 0.400 . 2 . . . . A 66 CYS CA . 34146 1 467 . 1 1 49 49 CYS CB C 13 42.958 0.400 . 2 . . . . A 66 CYS CB . 34146 1 468 . 1 1 49 49 CYS N N 15 120.756 0.400 . 2 . . . . A 66 CYS N . 34146 1 469 . 1 1 50 50 ARG H H 1 9.479 0.020 . 2 . . . . A 67 ARG H . 34146 1 470 . 1 1 50 50 ARG HA H 1 4.355 0.020 . 2 . . . . A 67 ARG HA . 34146 1 471 . 1 1 50 50 ARG HB2 H 1 1.602 0.020 . 2 . . . . A 67 ARG HB2 . 34146 1 472 . 1 1 50 50 ARG HB3 H 1 1.935 0.020 . 2 . . . . A 67 ARG HB3 . 34146 1 473 . 1 1 50 50 ARG HG2 H 1 1.712 0.020 . 2 . . . . A 67 ARG HG2 . 34146 1 474 . 1 1 50 50 ARG HG3 H 1 1.930 0.020 . 2 . . . . A 67 ARG HG3 . 34146 1 475 . 1 1 50 50 ARG HD2 H 1 3.161 0.020 . 2 . . . . A 67 ARG HD2 . 34146 1 476 . 1 1 50 50 ARG HD3 H 1 3.216 0.020 . 2 . . . . A 67 ARG HD3 . 34146 1 477 . 1 1 50 50 ARG C C 13 175.816 0.400 . 2 . . . . A 67 ARG C . 34146 1 478 . 1 1 50 50 ARG CA C 13 55.357 0.400 . 2 . . . . A 67 ARG CA . 34146 1 479 . 1 1 50 50 ARG CB C 13 31.231 0.400 . 2 . . . . A 67 ARG CB . 34146 1 480 . 1 1 50 50 ARG CG C 13 28.104 0.400 . 2 . . . . A 67 ARG CG . 34146 1 481 . 1 1 50 50 ARG CD C 13 43.586 0.400 . 2 . . . . A 67 ARG CD . 34146 1 482 . 1 1 50 50 ARG N N 15 121.457 0.400 . 2 . . . . A 67 ARG N . 34146 1 483 . 1 1 51 51 GLY H H 1 8.259 0.020 . 2 . . . . A 68 GLY H . 34146 1 484 . 1 1 51 51 GLY HA2 H 1 3.961 0.020 . 2 . . . . A 68 GLY HA2 . 34146 1 485 . 1 1 51 51 GLY HA3 H 1 3.707 0.020 . 2 . . . . A 68 GLY HA3 . 34146 1 486 . 1 1 51 51 GLY C C 13 171.944 0.400 . 2 . . . . A 68 GLY C . 34146 1 487 . 1 1 51 51 GLY CA C 13 43.458 0.400 . 2 . . . . A 68 GLY CA . 34146 1 488 . 1 1 51 51 GLY N N 15 108.369 0.400 . 2 . . . . A 68 GLY N . 34146 1 489 . 1 1 52 52 LEU H H 1 7.741 0.020 . 2 . . . . A 69 LEU H . 34146 1 490 . 1 1 52 52 LEU HA H 1 3.673 0.020 . 2 . . . . A 69 LEU HA . 34146 1 491 . 1 1 52 52 LEU HB2 H 1 1.432 0.020 . 2 . . . . A 69 LEU HB2 . 34146 1 492 . 1 1 52 52 LEU HB3 H 1 1.538 0.020 . 2 . . . . A 69 LEU HB3 . 34146 1 493 . 1 1 52 52 LEU HG H 1 1.633 0.020 . 2 . . . . A 69 LEU HG . 34146 1 494 . 1 1 52 52 LEU HD11 H 1 0.927 0.020 . 2 . . . . A 69 LEU HD11 . 34146 1 495 . 1 1 52 52 LEU HD12 H 1 0.927 0.020 . 2 . . . . A 69 LEU HD12 . 34146 1 496 . 1 1 52 52 LEU HD13 H 1 0.927 0.020 . 2 . . . . A 69 LEU HD13 . 34146 1 497 . 1 1 52 52 LEU HD21 H 1 0.861 0.020 . 2 . . . . A 69 LEU HD21 . 34146 1 498 . 1 1 52 52 LEU HD22 H 1 0.861 0.020 . 2 . . . . A 69 LEU HD22 . 34146 1 499 . 1 1 52 52 LEU HD23 H 1 0.861 0.020 . 2 . . . . A 69 LEU HD23 . 34146 1 500 . 1 1 52 52 LEU C C 13 178.607 0.400 . 2 . . . . A 69 LEU C . 34146 1 501 . 1 1 52 52 LEU CA C 13 56.567 0.400 . 2 . . . . A 69 LEU CA . 34146 1 502 . 1 1 52 52 LEU CB C 13 42.680 0.400 . 2 . . . . A 69 LEU CB . 34146 1 503 . 1 1 52 52 LEU CG C 13 27.120 0.400 . 2 . . . . A 69 LEU CG . 34146 1 504 . 1 1 52 52 LEU CD1 C 13 24.924 0.400 . 2 . . . . A 69 LEU CD1 . 34146 1 505 . 1 1 52 52 LEU CD2 C 13 24.915 0.400 . 2 . . . . A 69 LEU CD2 . 34146 1 506 . 1 1 52 52 LEU N N 15 117.041 0.400 . 2 . . . . A 69 LEU N . 34146 1 507 . 1 1 53 53 ARG H H 1 8.917 0.020 . 2 . . . . A 70 ARG H . 34146 1 508 . 1 1 53 53 ARG HA H 1 3.561 0.020 . 2 . . . . A 70 ARG HA . 34146 1 509 . 1 1 53 53 ARG HB2 H 1 2.050 0.020 . 2 . . . . A 70 ARG HB2 . 34146 1 510 . 1 1 53 53 ARG HB3 H 1 2.201 0.020 . 2 . . . . A 70 ARG HB3 . 34146 1 511 . 1 1 53 53 ARG HG2 H 1 1.611 0.020 . 2 . . . . A 70 ARG HG2 . 34146 1 512 . 1 1 53 53 ARG HG3 H 1 1.625 0.020 . 2 . . . . A 70 ARG HG3 . 34146 1 513 . 1 1 53 53 ARG HD2 H 1 3.133 0.020 . 2 . . . . A 70 ARG HD2 . 34146 1 514 . 1 1 53 53 ARG HD3 H 1 3.213 0.020 . 2 . . . . A 70 ARG HD3 . 34146 1 515 . 1 1 53 53 ARG C C 13 175.431 0.400 . 2 . . . . A 70 ARG C . 34146 1 516 . 1 1 53 53 ARG CA C 13 58.698 0.400 . 2 . . . . A 70 ARG CA . 34146 1 517 . 1 1 53 53 ARG CB C 13 27.839 0.400 . 2 . . . . A 70 ARG CB . 34146 1 518 . 1 1 53 53 ARG CG C 13 28.669 0.400 . 2 . . . . A 70 ARG CG . 34146 1 519 . 1 1 53 53 ARG CD C 13 43.038 0.400 . 2 . . . . A 70 ARG CD . 34146 1 520 . 1 1 53 53 ARG N N 15 114.216 0.400 . 2 . . . . A 70 ARG N . 34146 1 521 . 1 1 54 54 ARG H H 1 7.522 0.020 . 2 . . . . A 71 ARG H . 34146 1 522 . 1 1 54 54 ARG HA H 1 4.440 0.020 . 2 . . . . A 71 ARG HA . 34146 1 523 . 1 1 54 54 ARG HB2 H 1 1.837 0.020 . 2 . . . . A 71 ARG HB2 . 34146 1 524 . 1 1 54 54 ARG HB3 H 1 1.998 0.020 . 2 . . . . A 71 ARG HB3 . 34146 1 525 . 1 1 54 54 ARG HG2 H 1 1.429 0.020 . 2 . . . . A 71 ARG HG2 . 34146 1 526 . 1 1 54 54 ARG HG3 H 1 1.690 0.020 . 2 . . . . A 71 ARG HG3 . 34146 1 527 . 1 1 54 54 ARG HD2 H 1 3.122 0.020 . 2 . . . . A 71 ARG HD2 . 34146 1 528 . 1 1 54 54 ARG HD3 H 1 3.168 0.020 . 2 . . . . A 71 ARG HD3 . 34146 1 529 . 1 1 54 54 ARG C C 13 175.341 0.400 . 2 . . . . A 71 ARG C . 34146 1 530 . 1 1 54 54 ARG CA C 13 54.171 0.400 . 2 . . . . A 71 ARG CA . 34146 1 531 . 1 1 54 54 ARG CB C 13 30.659 0.400 . 2 . . . . A 71 ARG CB . 34146 1 532 . 1 1 54 54 ARG CG C 13 26.801 0.400 . 2 . . . . A 71 ARG CG . 34146 1 533 . 1 1 54 54 ARG CD C 13 42.198 0.400 . 2 . . . . A 71 ARG CD . 34146 1 534 . 1 1 54 54 ARG N N 15 118.522 0.400 . 2 . . . . A 71 ARG N . 34146 1 535 . 1 1 55 55 ARG H H 1 8.224 0.020 . 2 . . . . A 72 ARG H . 34146 1 536 . 1 1 55 55 ARG HA H 1 4.712 0.020 . 2 . . . . A 72 ARG HA . 34146 1 537 . 1 1 55 55 ARG HB2 H 1 1.748 0.020 . 2 . . . . A 72 ARG HB2 . 34146 1 538 . 1 1 55 55 ARG HB3 H 1 1.748 0.020 . 2 . . . . A 72 ARG HB3 . 34146 1 539 . 1 1 55 55 ARG HG2 H 1 1.630 0.020 . 2 . . . . A 72 ARG HG2 . 34146 1 540 . 1 1 55 55 ARG HG3 H 1 1.769 0.020 . 2 . . . . A 72 ARG HG3 . 34146 1 541 . 1 1 55 55 ARG HD2 H 1 3.224 0.020 . 2 . . . . A 72 ARG HD2 . 34146 1 542 . 1 1 55 55 ARG HD3 H 1 3.224 0.020 . 2 . . . . A 72 ARG HD3 . 34146 1 543 . 1 1 55 55 ARG C C 13 175.296 0.400 . 2 . . . . A 72 ARG C . 34146 1 544 . 1 1 55 55 ARG CA C 13 56.260 0.400 . 2 . . . . A 72 ARG CA . 34146 1 545 . 1 1 55 55 ARG CB C 13 30.657 0.400 . 2 . . . . A 72 ARG CB . 34146 1 546 . 1 1 55 55 ARG CG C 13 27.486 0.400 . 2 . . . . A 72 ARG CG . 34146 1 547 . 1 1 55 55 ARG CD C 13 42.964 0.400 . 2 . . . . A 72 ARG CD . 34146 1 548 . 1 1 55 55 ARG N N 15 119.196 0.400 . 2 . . . . A 72 ARG N . 34146 1 549 . 1 1 56 56 CYS H H 1 8.197 0.020 . 2 . . . . A 73 CYS H . 34146 1 550 . 1 1 56 56 CYS HA H 1 4.521 0.020 . 2 . . . . A 73 CYS HA . 34146 1 551 . 1 1 56 56 CYS HB2 H 1 2.761 0.020 . 2 . . . . A 73 CYS HB2 . 34146 1 552 . 1 1 56 56 CYS HB3 H 1 2.836 0.020 . 2 . . . . A 73 CYS HB3 . 34146 1 553 . 1 1 56 56 CYS C C 13 172.468 0.400 . 2 . . . . A 73 CYS C . 34146 1 554 . 1 1 56 56 CYS CA C 13 53.758 0.400 . 2 . . . . A 73 CYS CA . 34146 1 555 . 1 1 56 56 CYS CB C 13 47.520 0.400 . 2 . . . . A 73 CYS CB . 34146 1 556 . 1 1 56 56 CYS N N 15 116.342 0.400 . 2 . . . . A 73 CYS N . 34146 1 557 . 1 1 57 57 GLN H H 1 7.755 0.020 . 2 . . . . A 74 GLN H . 34146 1 558 . 1 1 57 57 GLN HA H 1 4.540 0.020 . 2 . . . . A 74 GLN HA . 34146 1 559 . 1 1 57 57 GLN HB2 H 1 1.786 0.020 . 2 . . . . A 74 GLN HB2 . 34146 1 560 . 1 1 57 57 GLN HB3 H 1 2.201 0.020 . 2 . . . . A 74 GLN HB3 . 34146 1 561 . 1 1 57 57 GLN HG2 H 1 2.205 0.020 . 2 . . . . A 74 GLN HG2 . 34146 1 562 . 1 1 57 57 GLN HG3 H 1 2.375 0.020 . 2 . . . . A 74 GLN HG3 . 34146 1 563 . 1 1 57 57 GLN C C 13 174.685 0.400 . 2 . . . . A 74 GLN C . 34146 1 564 . 1 1 57 57 GLN CA C 13 55.482 0.400 . 2 . . . . A 74 GLN CA . 34146 1 565 . 1 1 57 57 GLN CB C 13 31.305 0.400 . 2 . . . . A 74 GLN CB . 34146 1 566 . 1 1 57 57 GLN CG C 13 34.705 0.400 . 2 . . . . A 74 GLN CG . 34146 1 567 . 1 1 57 57 GLN N N 15 117.040 0.400 . 2 . . . . A 74 GLN N . 34146 1 568 . 1 1 58 58 ARG H H 1 7.124 0.020 . 2 . . . . A 75 ARG H . 34146 1 569 . 1 1 58 58 ARG HA H 1 4.641 0.020 . 2 . . . . A 75 ARG HA . 34146 1 570 . 1 1 58 58 ARG HB2 H 1 1.880 0.020 . 2 . . . . A 75 ARG HB2 . 34146 1 571 . 1 1 58 58 ARG HB3 H 1 2.042 0.020 . 2 . . . . A 75 ARG HB3 . 34146 1 572 . 1 1 58 58 ARG HD2 H 1 3.122 0.020 . 2 . . . . A 75 ARG HD2 . 34146 1 573 . 1 1 58 58 ARG HD3 H 1 3.122 0.020 . 2 . . . . A 75 ARG HD3 . 34146 1 574 . 1 1 58 58 ARG C C 13 176.334 0.400 . 2 . . . . A 75 ARG C . 34146 1 575 . 1 1 58 58 ARG CA C 13 54.192 0.400 . 2 . . . . A 75 ARG CA . 34146 1 576 . 1 1 58 58 ARG CB C 13 31.079 0.400 . 2 . . . . A 75 ARG CB . 34146 1 577 . 1 1 58 58 ARG CD C 13 42.721 0.400 . 2 . . . . A 75 ARG CD . 34146 1 578 . 1 1 58 58 ARG N N 15 112.688 0.400 . 2 . . . . A 75 ARG N . 34146 1 579 . 1 1 59 59 ASP H H 1 8.998 0.020 . 2 . . . . A 76 ASP H . 34146 1 580 . 1 1 59 59 ASP HA H 1 4.061 0.020 . 2 . . . . A 76 ASP HA . 34146 1 581 . 1 1 59 59 ASP HB2 H 1 2.523 0.020 . 2 . . . . A 76 ASP HB2 . 34146 1 582 . 1 1 59 59 ASP HB3 H 1 2.669 0.020 . 2 . . . . A 76 ASP HB3 . 34146 1 583 . 1 1 59 59 ASP C C 13 178.579 0.400 . 2 . . . . A 76 ASP C . 34146 1 584 . 1 1 59 59 ASP CA C 13 59.120 0.400 . 2 . . . . A 76 ASP CA . 34146 1 585 . 1 1 59 59 ASP CB C 13 40.605 0.400 . 2 . . . . A 76 ASP CB . 34146 1 586 . 1 1 59 59 ASP N N 15 123.894 0.400 . 2 . . . . A 76 ASP N . 34146 1 587 . 1 1 60 60 ALA H H 1 8.476 0.020 . 2 . . . . A 77 ALA H . 34146 1 588 . 1 1 60 60 ALA HA H 1 4.071 0.020 . 2 . . . . A 77 ALA HA . 34146 1 589 . 1 1 60 60 ALA HB1 H 1 1.332 0.020 . 2 . . . . A 77 ALA HB1 . 34146 1 590 . 1 1 60 60 ALA HB2 H 1 1.332 0.020 . 2 . . . . A 77 ALA HB2 . 34146 1 591 . 1 1 60 60 ALA HB3 H 1 1.332 0.020 . 2 . . . . A 77 ALA HB3 . 34146 1 592 . 1 1 60 60 ALA C C 13 177.387 0.400 . 2 . . . . A 77 ALA C . 34146 1 593 . 1 1 60 60 ALA CA C 13 54.062 0.400 . 2 . . . . A 77 ALA CA . 34146 1 594 . 1 1 60 60 ALA CB C 13 19.171 0.400 . 2 . . . . A 77 ALA CB . 34146 1 595 . 1 1 60 60 ALA N N 15 118.734 0.400 . 2 . . . . A 77 ALA N . 34146 1 596 . 1 1 61 61 MET H H 1 6.896 0.020 . 2 . . . . A 78 MET H . 34146 1 597 . 1 1 61 61 MET HA H 1 3.042 0.020 . 2 . . . . A 78 MET HA . 34146 1 598 . 1 1 61 61 MET HB2 H 1 1.361 0.020 . 2 . . . . A 78 MET HB2 . 34146 1 599 . 1 1 61 61 MET HB3 H 1 1.485 0.020 . 2 . . . . A 78 MET HB3 . 34146 1 600 . 1 1 61 61 MET HG2 H 1 1.008 0.020 . 2 . . . . A 78 MET HG2 . 34146 1 601 . 1 1 61 61 MET HG3 H 1 1.799 0.020 . 2 . . . . A 78 MET HG3 . 34146 1 602 . 1 1 61 61 MET HE1 H 1 2.031 0.020 . 2 . . . . A 78 MET HE1 . 34146 1 603 . 1 1 61 61 MET HE2 H 1 2.031 0.020 . 2 . . . . A 78 MET HE2 . 34146 1 604 . 1 1 61 61 MET HE3 H 1 2.031 0.020 . 2 . . . . A 78 MET HE3 . 34146 1 605 . 1 1 61 61 MET C C 13 175.529 0.400 . 2 . . . . A 78 MET C . 34146 1 606 . 1 1 61 61 MET CA C 13 56.911 0.400 . 2 . . . . A 78 MET CA . 34146 1 607 . 1 1 61 61 MET CG C 13 31.500 0.400 . 2 . . . . A 78 MET CG . 34146 1 608 . 1 1 61 61 MET CE C 13 16.464 0.400 . 2 . . . . A 78 MET CE . 34146 1 609 . 1 1 61 61 MET N N 15 109.671 0.400 . 2 . . . . A 78 MET N . 34146 1 610 . 1 1 62 62 CYS H H 1 7.753 0.020 . 2 . . . . A 79 CYS H . 34146 1 611 . 1 1 62 62 CYS HA H 1 4.940 0.020 . 2 . . . . A 79 CYS HA . 34146 1 612 . 1 1 62 62 CYS HB2 H 1 2.347 0.020 . 2 . . . . A 79 CYS HB2 . 34146 1 613 . 1 1 62 62 CYS HB3 H 1 3.716 0.020 . 2 . . . . A 79 CYS HB3 . 34146 1 614 . 1 1 62 62 CYS C C 13 174.786 0.400 . 2 . . . . A 79 CYS C . 34146 1 615 . 1 1 62 62 CYS CA C 13 53.179 0.400 . 2 . . . . A 79 CYS CA . 34146 1 616 . 1 1 62 62 CYS CB C 13 38.288 0.400 . 2 . . . . A 79 CYS CB . 34146 1 617 . 1 1 62 62 CYS N N 15 117.519 0.400 . 2 . . . . A 79 CYS N . 34146 1 618 . 1 1 63 63 CYS H H 1 7.821 0.020 . 2 . . . . A 80 CYS H . 34146 1 619 . 1 1 63 63 CYS HA H 1 4.699 0.020 . 2 . . . . A 80 CYS HA . 34146 1 620 . 1 1 63 63 CYS HB2 H 1 2.651 0.020 . 2 . . . . A 80 CYS HB2 . 34146 1 621 . 1 1 63 63 CYS HB3 H 1 3.151 0.020 . 2 . . . . A 80 CYS HB3 . 34146 1 622 . 1 1 63 63 CYS CA C 13 53.430 0.400 . 2 . . . . A 80 CYS CA . 34146 1 623 . 1 1 63 63 CYS CB C 13 37.374 0.400 . 2 . . . . A 80 CYS CB . 34146 1 624 . 1 1 63 63 CYS N N 15 118.757 0.400 . 2 . . . . A 80 CYS N . 34146 1 625 . 1 1 64 64 PRO HA H 1 4.383 0.020 . 2 . . . . A 81 PRO HA . 34146 1 626 . 1 1 64 64 PRO HB2 H 1 1.810 0.020 . 2 . . . . A 81 PRO HB2 . 34146 1 627 . 1 1 64 64 PRO HB3 H 1 2.341 0.020 . 2 . . . . A 81 PRO HB3 . 34146 1 628 . 1 1 64 64 PRO HG2 H 1 2.089 0.020 . 2 . . . . A 81 PRO HG2 . 34146 1 629 . 1 1 64 64 PRO HG3 H 1 2.128 0.020 . 2 . . . . A 81 PRO HG3 . 34146 1 630 . 1 1 64 64 PRO HD2 H 1 3.510 0.020 . 2 . . . . A 81 PRO HD2 . 34146 1 631 . 1 1 64 64 PRO HD3 H 1 4.041 0.020 . 2 . . . . A 81 PRO HD3 . 34146 1 632 . 1 1 64 64 PRO C C 13 176.358 0.400 . 2 . . . . A 81 PRO C . 34146 1 633 . 1 1 64 64 PRO CA C 13 64.902 0.400 . 2 . . . . A 81 PRO CA . 34146 1 634 . 1 1 64 64 PRO CB C 13 31.910 0.400 . 2 . . . . A 81 PRO CB . 34146 1 635 . 1 1 64 64 PRO CG C 13 27.803 0.400 . 2 . . . . A 81 PRO CG . 34146 1 636 . 1 1 64 64 PRO CD C 13 50.768 0.400 . 2 . . . . A 81 PRO CD . 34146 1 637 . 1 1 65 65 GLY H H 1 8.878 0.020 . 2 . . . . A 82 GLY H . 34146 1 638 . 1 1 65 65 GLY HA2 H 1 4.376 0.020 . 2 . . . . A 82 GLY HA2 . 34146 1 639 . 1 1 65 65 GLY HA3 H 1 3.623 0.020 . 2 . . . . A 82 GLY HA3 . 34146 1 640 . 1 1 65 65 GLY C C 13 173.828 0.400 . 2 . . . . A 82 GLY C . 34146 1 641 . 1 1 65 65 GLY CA C 13 44.625 0.400 . 2 . . . . A 82 GLY CA . 34146 1 642 . 1 1 65 65 GLY N N 15 112.510 0.400 . 2 . . . . A 82 GLY N . 34146 1 643 . 1 1 66 66 THR H H 1 8.041 0.020 . 2 . . . . A 83 THR H . 34146 1 644 . 1 1 66 66 THR HA H 1 4.887 0.020 . 2 . . . . A 83 THR HA . 34146 1 645 . 1 1 66 66 THR HB H 1 3.914 0.020 . 2 . . . . A 83 THR HB . 34146 1 646 . 1 1 66 66 THR HG21 H 1 0.871 0.020 . 2 . . . . A 83 THR HG21 . 34146 1 647 . 1 1 66 66 THR HG22 H 1 0.871 0.020 . 2 . . . . A 83 THR HG22 . 34146 1 648 . 1 1 66 66 THR HG23 H 1 0.871 0.020 . 2 . . . . A 83 THR HG23 . 34146 1 649 . 1 1 66 66 THR C C 13 171.417 0.400 . 2 . . . . A 83 THR C . 34146 1 650 . 1 1 66 66 THR CA C 13 59.488 0.400 . 2 . . . . A 83 THR CA . 34146 1 651 . 1 1 66 66 THR CB C 13 72.672 0.400 . 2 . . . . A 83 THR CB . 34146 1 652 . 1 1 66 66 THR CG2 C 13 22.564 0.400 . 2 . . . . A 83 THR CG2 . 34146 1 653 . 1 1 66 66 THR N N 15 110.971 0.400 . 2 . . . . A 83 THR N . 34146 1 654 . 1 1 67 67 LEU H H 1 8.898 0.020 . 2 . . . . A 84 LEU H . 34146 1 655 . 1 1 67 67 LEU HA H 1 4.506 0.020 . 2 . . . . A 84 LEU HA . 34146 1 656 . 1 1 67 67 LEU HB2 H 1 1.324 0.020 . 2 . . . . A 84 LEU HB2 . 34146 1 657 . 1 1 67 67 LEU HB3 H 1 1.435 0.020 . 2 . . . . A 84 LEU HB3 . 34146 1 658 . 1 1 67 67 LEU HG H 1 1.349 0.020 . 2 . . . . A 84 LEU HG . 34146 1 659 . 1 1 67 67 LEU HD11 H 1 0.773 0.020 . 2 . . . . A 84 LEU HD11 . 34146 1 660 . 1 1 67 67 LEU HD12 H 1 0.773 0.020 . 2 . . . . A 84 LEU HD12 . 34146 1 661 . 1 1 67 67 LEU HD13 H 1 0.773 0.020 . 2 . . . . A 84 LEU HD13 . 34146 1 662 . 1 1 67 67 LEU HD21 H 1 0.773 0.020 . 2 . . . . A 84 LEU HD21 . 34146 1 663 . 1 1 67 67 LEU HD22 H 1 0.773 0.020 . 2 . . . . A 84 LEU HD22 . 34146 1 664 . 1 1 67 67 LEU HD23 H 1 0.773 0.020 . 2 . . . . A 84 LEU HD23 . 34146 1 665 . 1 1 67 67 LEU C C 13 174.905 0.400 . 2 . . . . A 84 LEU C . 34146 1 666 . 1 1 67 67 LEU CA C 13 53.434 0.400 . 2 . . . . A 84 LEU CA . 34146 1 667 . 1 1 67 67 LEU CB C 13 45.893 0.400 . 2 . . . . A 84 LEU CB . 34146 1 668 . 1 1 67 67 LEU CG C 13 27.064 0.400 . 2 . . . . A 84 LEU CG . 34146 1 669 . 1 1 67 67 LEU CD1 C 13 25.914 0.400 . 2 . . . . A 84 LEU CD1 . 34146 1 670 . 1 1 67 67 LEU CD2 C 13 23.034 0.400 . 2 . . . . A 84 LEU CD2 . 34146 1 671 . 1 1 67 67 LEU N N 15 119.708 0.400 . 2 . . . . A 84 LEU N . 34146 1 672 . 1 1 68 68 CYS H H 1 9.275 0.020 . 2 . . . . A 85 CYS H . 34146 1 673 . 1 1 68 68 CYS HA H 1 4.704 0.020 . 2 . . . . A 85 CYS HA . 34146 1 674 . 1 1 68 68 CYS HB2 H 1 2.521 0.020 . 2 . . . . A 85 CYS HB2 . 34146 1 675 . 1 1 68 68 CYS HB3 H 1 2.859 0.020 . 2 . . . . A 85 CYS HB3 . 34146 1 676 . 1 1 68 68 CYS C C 13 173.620 0.400 . 2 . . . . A 85 CYS C . 34146 1 677 . 1 1 68 68 CYS CA C 13 55.895 0.400 . 2 . . . . A 85 CYS CA . 34146 1 678 . 1 1 68 68 CYS CB C 13 39.461 0.400 . 2 . . . . A 85 CYS CB . 34146 1 679 . 1 1 68 68 CYS N N 15 121.783 0.400 . 2 . . . . A 85 CYS N . 34146 1 680 . 1 1 69 69 VAL H H 1 8.404 0.020 . 2 . . . . A 86 VAL H . 34146 1 681 . 1 1 69 69 VAL HA H 1 4.165 0.020 . 2 . . . . A 86 VAL HA . 34146 1 682 . 1 1 69 69 VAL HB H 1 1.894 0.020 . 2 . . . . A 86 VAL HB . 34146 1 683 . 1 1 69 69 VAL HG11 H 1 0.838 0.020 . 2 . . . . A 86 VAL HG11 . 34146 1 684 . 1 1 69 69 VAL HG12 H 1 0.838 0.020 . 2 . . . . A 86 VAL HG12 . 34146 1 685 . 1 1 69 69 VAL HG13 H 1 0.838 0.020 . 2 . . . . A 86 VAL HG13 . 34146 1 686 . 1 1 69 69 VAL HG21 H 1 0.739 0.020 . 2 . . . . A 86 VAL HG21 . 34146 1 687 . 1 1 69 69 VAL HG22 H 1 0.739 0.020 . 2 . . . . A 86 VAL HG22 . 34146 1 688 . 1 1 69 69 VAL HG23 H 1 0.739 0.020 . 2 . . . . A 86 VAL HG23 . 34146 1 689 . 1 1 69 69 VAL C C 13 175.760 0.400 . 2 . . . . A 86 VAL C . 34146 1 690 . 1 1 69 69 VAL CA C 13 61.739 0.400 . 2 . . . . A 86 VAL CA . 34146 1 691 . 1 1 69 69 VAL CB C 13 33.991 0.400 . 2 . . . . A 86 VAL CB . 34146 1 692 . 1 1 69 69 VAL CG1 C 13 21.035 0.400 . 2 . . . . A 86 VAL CG1 . 34146 1 693 . 1 1 69 69 VAL CG2 C 13 20.940 0.400 . 2 . . . . A 86 VAL CG2 . 34146 1 694 . 1 1 69 69 VAL N N 15 130.932 0.400 . 2 . . . . A 86 VAL N . 34146 1 695 . 1 1 70 70 ASN H H 1 9.189 0.020 . 2 . . . . A 87 ASN H . 34146 1 696 . 1 1 70 70 ASN HA H 1 4.194 0.020 . 2 . . . . A 87 ASN HA . 34146 1 697 . 1 1 70 70 ASN HB2 H 1 2.775 0.020 . 2 . . . . A 87 ASN HB2 . 34146 1 698 . 1 1 70 70 ASN HB3 H 1 2.931 0.020 . 2 . . . . A 87 ASN HB3 . 34146 1 699 . 1 1 70 70 ASN C C 13 174.183 0.400 . 2 . . . . A 87 ASN C . 34146 1 700 . 1 1 70 70 ASN CA C 13 54.790 0.400 . 2 . . . . A 87 ASN CA . 34146 1 701 . 1 1 70 70 ASN CB C 13 37.232 0.400 . 2 . . . . A 87 ASN CB . 34146 1 702 . 1 1 70 70 ASN N N 15 125.964 0.400 . 2 . . . . A 87 ASN N . 34146 1 703 . 1 1 71 71 ASP H H 1 8.143 0.020 . 2 . . . . A 88 ASP H . 34146 1 704 . 1 1 71 71 ASP HA H 1 4.209 0.020 . 2 . . . . A 88 ASP HA . 34146 1 705 . 1 1 71 71 ASP HB2 H 1 3.008 0.020 . 2 . . . . A 88 ASP HB2 . 34146 1 706 . 1 1 71 71 ASP HB3 H 1 3.135 0.020 . 2 . . . . A 88 ASP HB3 . 34146 1 707 . 1 1 71 71 ASP C C 13 175.795 0.400 . 2 . . . . A 88 ASP C . 34146 1 708 . 1 1 71 71 ASP CA C 13 56.224 0.400 . 2 . . . . A 88 ASP CA . 34146 1 709 . 1 1 71 71 ASP CB C 13 39.187 0.400 . 2 . . . . A 88 ASP CB . 34146 1 710 . 1 1 71 71 ASP N N 15 107.945 0.400 . 2 . . . . A 88 ASP N . 34146 1 711 . 1 1 72 72 VAL H H 1 7.510 0.020 . 2 . . . . A 89 VAL H . 34146 1 712 . 1 1 72 72 VAL HA H 1 5.006 0.020 . 2 . . . . A 89 VAL HA . 34146 1 713 . 1 1 72 72 VAL HB H 1 1.633 0.020 . 2 . . . . A 89 VAL HB . 34146 1 714 . 1 1 72 72 VAL HG11 H 1 0.747 0.020 . 2 . . . . A 89 VAL HG11 . 34146 1 715 . 1 1 72 72 VAL HG12 H 1 0.747 0.020 . 2 . . . . A 89 VAL HG12 . 34146 1 716 . 1 1 72 72 VAL HG13 H 1 0.747 0.020 . 2 . . . . A 89 VAL HG13 . 34146 1 717 . 1 1 72 72 VAL HG21 H 1 0.727 0.020 . 2 . . . . A 89 VAL HG21 . 34146 1 718 . 1 1 72 72 VAL HG22 H 1 0.727 0.020 . 2 . . . . A 89 VAL HG22 . 34146 1 719 . 1 1 72 72 VAL HG23 H 1 0.727 0.020 . 2 . . . . A 89 VAL HG23 . 34146 1 720 . 1 1 72 72 VAL C C 13 177.411 0.400 . 2 . . . . A 89 VAL C . 34146 1 721 . 1 1 72 72 VAL CA C 13 60.248 0.400 . 2 . . . . A 89 VAL CA . 34146 1 722 . 1 1 72 72 VAL CB C 13 36.919 0.400 . 2 . . . . A 89 VAL CB . 34146 1 723 . 1 1 72 72 VAL CG1 C 13 19.907 0.400 . 2 . . . . A 89 VAL CG1 . 34146 1 724 . 1 1 72 72 VAL CG2 C 13 22.380 0.400 . 2 . . . . A 89 VAL CG2 . 34146 1 725 . 1 1 72 72 VAL N N 15 114.506 0.400 . 2 . . . . A 89 VAL N . 34146 1 726 . 1 1 73 73 CYS H H 1 8.599 0.020 . 2 . . . . A 90 CYS H . 34146 1 727 . 1 1 73 73 CYS HA H 1 5.088 0.020 . 2 . . . . A 90 CYS HA . 34146 1 728 . 1 1 73 73 CYS HB2 H 1 2.668 0.020 . 2 . . . . A 90 CYS HB2 . 34146 1 729 . 1 1 73 73 CYS HB3 H 1 3.036 0.020 . 2 . . . . A 90 CYS HB3 . 34146 1 730 . 1 1 73 73 CYS C C 13 176.434 0.400 . 2 . . . . A 90 CYS C . 34146 1 731 . 1 1 73 73 CYS CA C 13 55.195 0.400 . 2 . . . . A 90 CYS CA . 34146 1 732 . 1 1 73 73 CYS CB C 13 37.799 0.400 . 2 . . . . A 90 CYS CB . 34146 1 733 . 1 1 73 73 CYS N N 15 124.273 0.400 . 2 . . . . A 90 CYS N . 34146 1 734 . 1 1 74 74 THR H H 1 9.842 0.020 . 2 . . . . A 91 THR H . 34146 1 735 . 1 1 74 74 THR HA H 1 4.652 0.020 . 2 . . . . A 91 THR HA . 34146 1 736 . 1 1 74 74 THR HB H 1 3.867 0.020 . 2 . . . . A 91 THR HB . 34146 1 737 . 1 1 74 74 THR HG21 H 1 1.254 0.020 . 2 . . . . A 91 THR HG21 . 34146 1 738 . 1 1 74 74 THR HG22 H 1 1.254 0.020 . 2 . . . . A 91 THR HG22 . 34146 1 739 . 1 1 74 74 THR HG23 H 1 1.254 0.020 . 2 . . . . A 91 THR HG23 . 34146 1 740 . 1 1 74 74 THR C C 13 172.965 0.400 . 2 . . . . A 91 THR C . 34146 1 741 . 1 1 74 74 THR CA C 13 62.040 0.400 . 2 . . . . A 91 THR CA . 34146 1 742 . 1 1 74 74 THR CB C 13 72.297 0.400 . 2 . . . . A 91 THR CB . 34146 1 743 . 1 1 74 74 THR CG2 C 13 20.166 0.400 . 2 . . . . A 91 THR CG2 . 34146 1 744 . 1 1 74 74 THR N N 15 123.237 0.400 . 2 . . . . A 91 THR N . 34146 1 745 . 1 1 75 75 THR H H 1 8.503 0.020 . 2 . . . . A 92 THR H . 34146 1 746 . 1 1 75 75 THR HA H 1 4.229 0.020 . 2 . . . . A 92 THR HA . 34146 1 747 . 1 1 75 75 THR HB H 1 4.270 0.020 . 2 . . . . A 92 THR HB . 34146 1 748 . 1 1 75 75 THR HG21 H 1 1.276 0.020 . 2 . . . . A 92 THR HG21 . 34146 1 749 . 1 1 75 75 THR HG22 H 1 1.276 0.020 . 2 . . . . A 92 THR HG22 . 34146 1 750 . 1 1 75 75 THR HG23 H 1 1.276 0.020 . 2 . . . . A 92 THR HG23 . 34146 1 751 . 1 1 75 75 THR C C 13 174.469 0.400 . 2 . . . . A 92 THR C . 34146 1 752 . 1 1 75 75 THR CA C 13 62.735 0.400 . 2 . . . . A 92 THR CA . 34146 1 753 . 1 1 75 75 THR CB C 13 69.811 0.400 . 2 . . . . A 92 THR CB . 34146 1 754 . 1 1 75 75 THR CG2 C 13 22.349 0.400 . 2 . . . . A 92 THR CG2 . 34146 1 755 . 1 1 75 75 THR N N 15 118.850 0.400 . 2 . . . . A 92 THR N . 34146 1 756 . 1 1 76 76 MET H H 1 8.244 0.020 . 2 . . . . A 93 MET H . 34146 1 757 . 1 1 76 76 MET HA H 1 4.264 0.020 . 2 . . . . A 93 MET HA . 34146 1 758 . 1 1 76 76 MET HB2 H 1 1.857 0.020 . 2 . . . . A 93 MET HB2 . 34146 1 759 . 1 1 76 76 MET HB3 H 1 2.001 0.020 . 2 . . . . A 93 MET HB3 . 34146 1 760 . 1 1 76 76 MET HG2 H 1 2.429 0.020 . 2 . . . . A 93 MET HG2 . 34146 1 761 . 1 1 76 76 MET HG3 H 1 2.429 0.020 . 2 . . . . A 93 MET HG3 . 34146 1 762 . 1 1 76 76 MET HE1 H 1 1.981 0.020 . 2 . . . . A 93 MET HE1 . 34146 1 763 . 1 1 76 76 MET HE2 H 1 1.981 0.020 . 2 . . . . A 93 MET HE2 . 34146 1 764 . 1 1 76 76 MET HE3 H 1 1.981 0.020 . 2 . . . . A 93 MET HE3 . 34146 1 765 . 1 1 76 76 MET C C 13 177.018 0.400 . 2 . . . . A 93 MET C . 34146 1 766 . 1 1 76 76 MET CA C 13 56.528 0.400 . 2 . . . . A 93 MET CA . 34146 1 767 . 1 1 76 76 MET CB C 13 32.797 0.400 . 2 . . . . A 93 MET CB . 34146 1 768 . 1 1 76 76 MET CG C 13 32.245 0.400 . 2 . . . . A 93 MET CG . 34146 1 769 . 1 1 76 76 MET CE C 13 17.007 0.400 . 2 . . . . A 93 MET CE . 34146 1 770 . 1 1 76 76 MET N N 15 122.264 0.400 . 2 . . . . A 93 MET N . 34146 1 771 . 1 1 77 77 GLU H H 1 8.628 0.020 . 2 . . . . A 94 GLU H . 34146 1 772 . 1 1 77 77 GLU HA H 1 4.133 0.020 . 2 . . . . A 94 GLU HA . 34146 1 773 . 1 1 77 77 GLU HB2 H 1 1.909 0.020 . 2 . . . . A 94 GLU HB2 . 34146 1 774 . 1 1 77 77 GLU HB3 H 1 1.965 0.020 . 2 . . . . A 94 GLU HB3 . 34146 1 775 . 1 1 77 77 GLU HG2 H 1 2.214 0.020 . 2 . . . . A 94 GLU HG2 . 34146 1 776 . 1 1 77 77 GLU HG3 H 1 2.214 0.020 . 2 . . . . A 94 GLU HG3 . 34146 1 777 . 1 1 77 77 GLU C C 13 176.820 0.400 . 2 . . . . A 94 GLU C . 34146 1 778 . 1 1 77 77 GLU CA C 13 57.747 0.400 . 2 . . . . A 94 GLU CA . 34146 1 779 . 1 1 77 77 GLU CB C 13 30.072 0.400 . 2 . . . . A 94 GLU CB . 34146 1 780 . 1 1 77 77 GLU CG C 13 36.585 0.400 . 2 . . . . A 94 GLU CG . 34146 1 781 . 1 1 77 77 GLU N N 15 121.157 0.400 . 2 . . . . A 94 GLU N . 34146 1 782 . 1 1 78 78 ASP H H 1 8.035 0.020 . 2 . . . . A 95 ASP H . 34146 1 783 . 1 1 78 78 ASP HA H 1 4.517 0.020 . 2 . . . . A 95 ASP HA . 34146 1 784 . 1 1 78 78 ASP HB2 H 1 2.587 0.020 . 2 . . . . A 95 ASP HB2 . 34146 1 785 . 1 1 78 78 ASP HB3 H 1 2.649 0.020 . 2 . . . . A 95 ASP HB3 . 34146 1 786 . 1 1 78 78 ASP C C 13 176.772 0.400 . 2 . . . . A 95 ASP C . 34146 1 787 . 1 1 78 78 ASP CA C 13 54.684 0.400 . 2 . . . . A 95 ASP CA . 34146 1 788 . 1 1 78 78 ASP CB C 13 41.162 0.400 . 2 . . . . A 95 ASP CB . 34146 1 789 . 1 1 78 78 ASP N N 15 120.564 0.400 . 2 . . . . A 95 ASP N . 34146 1 790 . 1 1 79 79 ALA H H 1 8.125 0.020 . 2 . . . . A 96 ALA H . 34146 1 791 . 1 1 79 79 ALA HA H 1 4.269 0.020 . 2 . . . . A 96 ALA HA . 34146 1 792 . 1 1 79 79 ALA HB1 H 1 1.363 0.020 . 2 . . . . A 96 ALA HB1 . 34146 1 793 . 1 1 79 79 ALA HB2 H 1 1.363 0.020 . 2 . . . . A 96 ALA HB2 . 34146 1 794 . 1 1 79 79 ALA HB3 H 1 1.363 0.020 . 2 . . . . A 96 ALA HB3 . 34146 1 795 . 1 1 79 79 ALA C C 13 178.245 0.400 . 2 . . . . A 96 ALA C . 34146 1 796 . 1 1 79 79 ALA CA C 13 53.031 0.400 . 2 . . . . A 96 ALA CA . 34146 1 797 . 1 1 79 79 ALA CB C 13 19.329 0.400 . 2 . . . . A 96 ALA CB . 34146 1 798 . 1 1 79 79 ALA N N 15 123.866 0.400 . 2 . . . . A 96 ALA N . 34146 1 799 . 1 1 80 80 THR H H 1 7.976 0.020 . 2 . . . . A 97 THR H . 34146 1 800 . 1 1 80 80 THR HA H 1 4.178 0.020 . 2 . . . . A 97 THR HA . 34146 1 801 . 1 1 80 80 THR HB H 1 4.199 0.020 . 2 . . . . A 97 THR HB . 34146 1 802 . 1 1 80 80 THR HG21 H 1 1.169 0.020 . 2 . . . . A 97 THR HG21 . 34146 1 803 . 1 1 80 80 THR HG22 H 1 1.169 0.020 . 2 . . . . A 97 THR HG22 . 34146 1 804 . 1 1 80 80 THR HG23 H 1 1.169 0.020 . 2 . . . . A 97 THR HG23 . 34146 1 805 . 1 1 80 80 THR C C 13 175.296 0.400 . 2 . . . . A 97 THR C . 34146 1 806 . 1 1 80 80 THR CA C 13 62.848 0.400 . 2 . . . . A 97 THR CA . 34146 1 807 . 1 1 80 80 THR CB C 13 69.679 0.400 . 2 . . . . A 97 THR CB . 34146 1 808 . 1 1 80 80 THR CG2 C 13 21.654 0.400 . 2 . . . . A 97 THR CG2 . 34146 1 809 . 1 1 80 80 THR N N 15 112.288 0.400 . 2 . . . . A 97 THR N . 34146 1 810 . 1 1 81 81 GLU H H 1 8.155 0.020 . 2 . . . . A 98 GLU H . 34146 1 811 . 1 1 81 81 GLU HA H 1 4.187 0.020 . 2 . . . . A 98 GLU HA . 34146 1 812 . 1 1 81 81 GLU HB2 H 1 1.928 0.020 . 2 . . . . A 98 GLU HB2 . 34146 1 813 . 1 1 81 81 GLU HB3 H 1 2.005 0.020 . 2 . . . . A 98 GLU HB3 . 34146 1 814 . 1 1 81 81 GLU HG2 H 1 2.179 0.020 . 2 . . . . A 98 GLU HG2 . 34146 1 815 . 1 1 81 81 GLU HG3 H 1 2.208 0.020 . 2 . . . . A 98 GLU HG3 . 34146 1 816 . 1 1 81 81 GLU C C 13 176.568 0.400 . 2 . . . . A 98 GLU C . 34146 1 817 . 1 1 81 81 GLU CA C 13 57.163 0.400 . 2 . . . . A 98 GLU CA . 34146 1 818 . 1 1 81 81 GLU CB C 13 30.152 0.400 . 2 . . . . A 98 GLU CB . 34146 1 819 . 1 1 81 81 GLU CG C 13 36.299 0.400 . 2 . . . . A 98 GLU CG . 34146 1 820 . 1 1 81 81 GLU N N 15 122.262 0.400 . 2 . . . . A 98 GLU N . 34146 1 821 . 1 1 82 82 ASN H H 1 8.185 0.020 . 2 . . . . A 99 ASN H . 34146 1 822 . 1 1 82 82 ASN HA H 1 4.598 0.020 . 2 . . . . A 99 ASN HA . 34146 1 823 . 1 1 82 82 ASN HB2 H 1 2.743 0.020 . 2 . . . . A 99 ASN HB2 . 34146 1 824 . 1 1 82 82 ASN HB3 H 1 2.743 0.020 . 2 . . . . A 99 ASN HB3 . 34146 1 825 . 1 1 82 82 ASN C C 13 175.594 0.400 . 2 . . . . A 99 ASN C . 34146 1 826 . 1 1 82 82 ASN N N 15 118.454 0.400 . 2 . . . . A 99 ASN N . 34146 1 827 . 1 1 83 83 LEU H H 1 7.973 0.020 . 2 . . . . A 100 LEU H . 34146 1 828 . 1 1 83 83 LEU HA H 1 4.151 0.020 . 2 . . . . A 100 LEU HA . 34146 1 829 . 1 1 83 83 LEU HB2 H 1 1.317 0.020 . 2 . . . . A 100 LEU HB2 . 34146 1 830 . 1 1 83 83 LEU HB3 H 1 1.467 0.020 . 2 . . . . A 100 LEU HB3 . 34146 1 831 . 1 1 83 83 LEU HG H 1 1.448 0.020 . 2 . . . . A 100 LEU HG . 34146 1 832 . 1 1 83 83 LEU HD11 H 1 0.819 0.020 . 2 . . . . A 100 LEU HD11 . 34146 1 833 . 1 1 83 83 LEU HD12 H 1 0.819 0.020 . 2 . . . . A 100 LEU HD12 . 34146 1 834 . 1 1 83 83 LEU HD13 H 1 0.819 0.020 . 2 . . . . A 100 LEU HD13 . 34146 1 835 . 1 1 83 83 LEU HD21 H 1 0.755 0.020 . 2 . . . . A 100 LEU HD21 . 34146 1 836 . 1 1 83 83 LEU HD22 H 1 0.755 0.020 . 2 . . . . A 100 LEU HD22 . 34146 1 837 . 1 1 83 83 LEU HD23 H 1 0.755 0.020 . 2 . . . . A 100 LEU HD23 . 34146 1 838 . 1 1 83 83 LEU C C 13 177.702 0.400 . 2 . . . . A 100 LEU C . 34146 1 839 . 1 1 83 83 LEU CA C 13 55.752 0.400 . 2 . . . . A 100 LEU CA . 34146 1 840 . 1 1 83 83 LEU CB C 13 42.127 0.400 . 2 . . . . A 100 LEU CB . 34146 1 841 . 1 1 83 83 LEU CG C 13 27.052 0.400 . 2 . . . . A 100 LEU CG . 34146 1 842 . 1 1 83 83 LEU CD1 C 13 24.934 0.400 . 2 . . . . A 100 LEU CD1 . 34146 1 843 . 1 1 83 83 LEU CD2 C 13 23.470 0.400 . 2 . . . . A 100 LEU CD2 . 34146 1 844 . 1 1 83 83 LEU N N 15 121.532 0.400 . 2 . . . . A 100 LEU N . 34146 1 845 . 1 1 84 84 TYR H H 1 7.936 0.020 . 2 . . . . A 101 TYR H . 34146 1 846 . 1 1 84 84 TYR HA H 1 4.386 0.020 . 2 . . . . A 101 TYR HA . 34146 1 847 . 1 1 84 84 TYR HB2 H 1 2.854 0.020 . 2 . . . . A 101 TYR HB2 . 34146 1 848 . 1 1 84 84 TYR HB3 H 1 2.888 0.020 . 2 . . . . A 101 TYR HB3 . 34146 1 849 . 1 1 84 84 TYR HD1 H 1 6.915 0.020 . 2 . . . . A 101 TYR HD1 . 34146 1 850 . 1 1 84 84 TYR HD2 H 1 6.915 0.020 . 2 . . . . A 101 TYR HD2 . 34146 1 851 . 1 1 84 84 TYR HE1 H 1 6.713 0.020 . 2 . . . . A 101 TYR HE1 . 34146 1 852 . 1 1 84 84 TYR HE2 H 1 6.713 0.020 . 2 . . . . A 101 TYR HE2 . 34146 1 853 . 1 1 84 84 TYR C C 13 176.328 0.400 . 2 . . . . A 101 TYR C . 34146 1 854 . 1 1 84 84 TYR CA C 13 58.420 0.400 . 2 . . . . A 101 TYR CA . 34146 1 855 . 1 1 84 84 TYR CB C 13 38.493 0.400 . 2 . . . . A 101 TYR CB . 34146 1 856 . 1 1 84 84 TYR N N 15 119.499 0.400 . 2 . . . . A 101 TYR N . 34146 1 857 . 1 1 85 85 PHE H H 1 7.872 0.020 . 2 . . . . A 102 PHE H . 34146 1 858 . 1 1 85 85 PHE HA H 1 4.383 0.020 . 2 . . . . A 102 PHE HA . 34146 1 859 . 1 1 85 85 PHE HB2 H 1 2.987 0.020 . 2 . . . . A 102 PHE HB2 . 34146 1 860 . 1 1 85 85 PHE HB3 H 1 3.083 0.020 . 2 . . . . A 102 PHE HB3 . 34146 1 861 . 1 1 85 85 PHE HD1 H 1 7.189 0.020 . 2 . . . . A 102 PHE HD1 . 34146 1 862 . 1 1 85 85 PHE HD2 H 1 7.189 0.020 . 2 . . . . A 102 PHE HD2 . 34146 1 863 . 1 1 85 85 PHE HE1 H 1 7.308 0.020 . 2 . . . . A 102 PHE HE1 . 34146 1 864 . 1 1 85 85 PHE HE2 H 1 7.308 0.020 . 2 . . . . A 102 PHE HE2 . 34146 1 865 . 1 1 85 85 PHE HZ H 1 7.254 0.020 . 2 . . . . A 102 PHE HZ . 34146 1 866 . 1 1 85 85 PHE C C 13 176.194 0.400 . 2 . . . . A 102 PHE C . 34146 1 867 . 1 1 85 85 PHE CA C 13 58.547 0.400 . 2 . . . . A 102 PHE CA . 34146 1 868 . 1 1 85 85 PHE CB C 13 39.432 0.400 . 2 . . . . A 102 PHE CB . 34146 1 869 . 1 1 85 85 PHE N N 15 120.040 0.400 . 2 . . . . A 102 PHE N . 34146 1 870 . 1 1 86 86 GLN H H 1 8.058 0.020 . 2 . . . . A 103 GLN H . 34146 1 871 . 1 1 86 86 GLN HA H 1 4.202 0.020 . 2 . . . . A 103 GLN HA . 34146 1 872 . 1 1 86 86 GLN HG2 H 1 2.251 0.020 . 2 . . . . A 103 GLN HG2 . 34146 1 873 . 1 1 86 86 GLN HG3 H 1 2.251 0.020 . 2 . . . . A 103 GLN HG3 . 34146 1 874 . 1 1 86 86 GLN C C 13 176.150 0.400 . 2 . . . . A 103 GLN C . 34146 1 875 . 1 1 86 86 GLN CA C 13 56.274 0.400 . 2 . . . . A 103 GLN CA . 34146 1 876 . 1 1 86 86 GLN N N 15 120.522 0.400 . 2 . . . . A 103 GLN N . 34146 1 877 . 1 1 87 87 SER H H 1 8.040 0.020 . 2 . . . . A 104 SER H . 34146 1 878 . 1 1 87 87 SER HA H 1 4.361 0.020 . 2 . . . . A 104 SER HA . 34146 1 879 . 1 1 87 87 SER HB2 H 1 3.830 0.020 . 2 . . . . A 104 SER HB2 . 34146 1 880 . 1 1 87 87 SER HB3 H 1 3.889 0.020 . 2 . . . . A 104 SER HB3 . 34146 1 881 . 1 1 87 87 SER C C 13 174.848 0.400 . 2 . . . . A 104 SER C . 34146 1 882 . 1 1 87 87 SER CA C 13 58.829 0.400 . 2 . . . . A 104 SER CA . 34146 1 883 . 1 1 87 87 SER CB C 13 63.671 0.400 . 2 . . . . A 104 SER CB . 34146 1 884 . 1 1 87 87 SER N N 15 115.924 0.400 . 2 . . . . A 104 SER N . 34146 1 885 . 1 1 88 88 LEU H H 1 8.022 0.020 . 2 . . . . A 105 LEU H . 34146 1 886 . 1 1 88 88 LEU HA H 1 4.244 0.020 . 2 . . . . A 105 LEU HA . 34146 1 887 . 1 1 88 88 LEU HB2 H 1 1.475 0.020 . 2 . . . . A 105 LEU HB2 . 34146 1 888 . 1 1 88 88 LEU HB3 H 1 1.537 0.020 . 2 . . . . A 105 LEU HB3 . 34146 1 889 . 1 1 88 88 LEU HG H 1 1.471 0.020 . 2 . . . . A 105 LEU HG . 34146 1 890 . 1 1 88 88 LEU HD11 H 1 0.843 0.020 . 2 . . . . A 105 LEU HD11 . 34146 1 891 . 1 1 88 88 LEU HD12 H 1 0.843 0.020 . 2 . . . . A 105 LEU HD12 . 34146 1 892 . 1 1 88 88 LEU HD13 H 1 0.843 0.020 . 2 . . . . A 105 LEU HD13 . 34146 1 893 . 1 1 88 88 LEU HD21 H 1 0.764 0.020 . 2 . . . . A 105 LEU HD21 . 34146 1 894 . 1 1 88 88 LEU HD22 H 1 0.764 0.020 . 2 . . . . A 105 LEU HD22 . 34146 1 895 . 1 1 88 88 LEU HD23 H 1 0.764 0.020 . 2 . . . . A 105 LEU HD23 . 34146 1 896 . 1 1 88 88 LEU C C 13 177.638 0.400 . 2 . . . . A 105 LEU C . 34146 1 897 . 1 1 88 88 LEU CA C 13 55.406 0.400 . 2 . . . . A 105 LEU CA . 34146 1 898 . 1 1 88 88 LEU CB C 13 42.336 0.400 . 2 . . . . A 105 LEU CB . 34146 1 899 . 1 1 88 88 LEU CG C 13 26.927 0.400 . 2 . . . . A 105 LEU CG . 34146 1 900 . 1 1 88 88 LEU CD1 C 13 24.790 0.400 . 2 . . . . A 105 LEU CD1 . 34146 1 901 . 1 1 88 88 LEU CD2 C 13 23.323 0.400 . 2 . . . . A 105 LEU CD2 . 34146 1 902 . 1 1 88 88 LEU N N 15 123.610 0.400 . 2 . . . . A 105 LEU N . 34146 1 903 . 1 1 89 89 GLU H H 1 8.102 0.020 . 2 . . . . A 106 GLU H . 34146 1 904 . 1 1 89 89 GLU HA H 1 4.103 0.020 . 2 . . . . A 106 GLU HA . 34146 1 905 . 1 1 89 89 GLU HB2 H 1 1.775 0.020 . 2 . . . . A 106 GLU HB2 . 34146 1 906 . 1 1 89 89 GLU HB3 H 1 1.856 0.020 . 2 . . . . A 106 GLU HB3 . 34146 1 907 . 1 1 89 89 GLU HG2 H 1 2.066 0.020 . 2 . . . . A 106 GLU HG2 . 34146 1 908 . 1 1 89 89 GLU HG3 H 1 2.119 0.020 . 2 . . . . A 106 GLU HG3 . 34146 1 909 . 1 1 89 89 GLU CA C 13 56.883 0.400 . 2 . . . . A 106 GLU CA . 34146 1 910 . 1 1 89 89 GLU CB C 13 30.284 0.400 . 2 . . . . A 106 GLU CB . 34146 1 911 . 1 1 89 89 GLU CG C 13 36.296 0.400 . 2 . . . . A 106 GLU CG . 34146 1 912 . 1 1 89 89 GLU N N 15 119.952 0.400 . 2 . . . . A 106 GLU N . 34146 1 stop_ save_