data_34997 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34997 _Entry.Title ; Solution NMR structure of the lipoyl domain of the E2 subunit in the human alpha-ketoglutarate dehydrogenase complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-27 _Entry.Accession_date 2025-05-27 _Entry.Last_release_date 2025-08-21 _Entry.Original_release_date 2025-08-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Czajlik A. . . . 34997 2 G. Batta G. . . . 34997 3 A. Ambrus A. . . . 34997 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '2-oxoglutarate dehydrogenase complex' . 34997 'E2 subunit' . 34997 'Lipoyl domain' . 34997 TRANSFERASE . 34997 'alpha-ketoglutarate dehydrogenase complex' . 34997 'dihydrolipoamide succinyltransferase' . 34997 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34997 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 34997 '15N chemical shifts' 80 34997 '1H chemical shifts' 560 34997 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-06-05 . original BMRB . 34997 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9RCA 'BMRB Entry Tracking System' 34997 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34997 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR Structural analysis of the lipoyl domain of the hKGDHc-E2 Protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Czajlik A. . . . 34997 1 2 G. Batta G. . . . 34997 1 3 A. Ambrus A. . . . 34997 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34997 _Assembly.ID 1 _Assembly.Name 'Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial (E.C.2.3.1.61)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34997 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34997 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGDDLVTVKTPAFAESVTE GDVRWEKAVGDTVAEDEVVC EIETDKTSVQVPSPANGVIE ALLVPDGGKVEGGTPLFTLR KTGA ; _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 84 _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 2.3.1.61 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8674.597 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; N-TERMINAL TWIN-STREP (AFFINITY) TAG WITH PROTEOLYTIC CLEAVAGE SITE FOR HRV 3C PROTEASE AND LINKERS: MASWSHPQFEKGGGSGGGSGGSAWSHPQFEKLEVLFQGPG (THE CLEAVAGE LEFT THE LAST THREE RESIDUES [GPG] ON THE PROTEIN N-TERMINUS). ; _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 '2-oxoglutarate dehydrogenase complex component E2' common 34997 1 'Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex' common 34997 1 E2K common 34997 1 OGDC-E2 common 34997 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34997 1 2 . PRO . 34997 1 3 . GLY . 34997 1 4 . ASP . 34997 1 5 . ASP . 34997 1 6 . LEU . 34997 1 7 . VAL . 34997 1 8 . THR . 34997 1 9 . VAL . 34997 1 10 . LYS . 34997 1 11 . THR . 34997 1 12 . PRO . 34997 1 13 . ALA . 34997 1 14 . PHE . 34997 1 15 . ALA . 34997 1 16 . GLU . 34997 1 17 . SER . 34997 1 18 . VAL . 34997 1 19 . THR . 34997 1 20 . GLU . 34997 1 21 . GLY . 34997 1 22 . ASP . 34997 1 23 . VAL . 34997 1 24 . ARG . 34997 1 25 . TRP . 34997 1 26 . GLU . 34997 1 27 . LYS . 34997 1 28 . ALA . 34997 1 29 . VAL . 34997 1 30 . GLY . 34997 1 31 . ASP . 34997 1 32 . THR . 34997 1 33 . VAL . 34997 1 34 . ALA . 34997 1 35 . GLU . 34997 1 36 . ASP . 34997 1 37 . GLU . 34997 1 38 . VAL . 34997 1 39 . VAL . 34997 1 40 . CYS . 34997 1 41 . GLU . 34997 1 42 . ILE . 34997 1 43 . GLU . 34997 1 44 . THR . 34997 1 45 . ASP . 34997 1 46 . LYS . 34997 1 47 . THR . 34997 1 48 . SER . 34997 1 49 . VAL . 34997 1 50 . GLN . 34997 1 51 . VAL . 34997 1 52 . PRO . 34997 1 53 . SER . 34997 1 54 . PRO . 34997 1 55 . ALA . 34997 1 56 . ASN . 34997 1 57 . GLY . 34997 1 58 . VAL . 34997 1 59 . ILE . 34997 1 60 . GLU . 34997 1 61 . ALA . 34997 1 62 . LEU . 34997 1 63 . LEU . 34997 1 64 . VAL . 34997 1 65 . PRO . 34997 1 66 . ASP . 34997 1 67 . GLY . 34997 1 68 . GLY . 34997 1 69 . LYS . 34997 1 70 . VAL . 34997 1 71 . GLU . 34997 1 72 . GLY . 34997 1 73 . GLY . 34997 1 74 . THR . 34997 1 75 . PRO . 34997 1 76 . LEU . 34997 1 77 . PHE . 34997 1 78 . THR . 34997 1 79 . LEU . 34997 1 80 . ARG . 34997 1 81 . LYS . 34997 1 82 . THR . 34997 1 83 . GLY . 34997 1 84 . ALA . 34997 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34997 1 . PRO 2 2 34997 1 . GLY 3 3 34997 1 . ASP 4 4 34997 1 . ASP 5 5 34997 1 . LEU 6 6 34997 1 . VAL 7 7 34997 1 . THR 8 8 34997 1 . VAL 9 9 34997 1 . LYS 10 10 34997 1 . THR 11 11 34997 1 . PRO 12 12 34997 1 . ALA 13 13 34997 1 . PHE 14 14 34997 1 . ALA 15 15 34997 1 . GLU 16 16 34997 1 . SER 17 17 34997 1 . VAL 18 18 34997 1 . THR 19 19 34997 1 . GLU 20 20 34997 1 . GLY 21 21 34997 1 . ASP 22 22 34997 1 . VAL 23 23 34997 1 . ARG 24 24 34997 1 . TRP 25 25 34997 1 . GLU 26 26 34997 1 . LYS 27 27 34997 1 . ALA 28 28 34997 1 . VAL 29 29 34997 1 . GLY 30 30 34997 1 . ASP 31 31 34997 1 . THR 32 32 34997 1 . VAL 33 33 34997 1 . ALA 34 34 34997 1 . GLU 35 35 34997 1 . ASP 36 36 34997 1 . GLU 37 37 34997 1 . VAL 38 38 34997 1 . VAL 39 39 34997 1 . CYS 40 40 34997 1 . GLU 41 41 34997 1 . ILE 42 42 34997 1 . GLU 43 43 34997 1 . THR 44 44 34997 1 . ASP 45 45 34997 1 . LYS 46 46 34997 1 . THR 47 47 34997 1 . SER 48 48 34997 1 . VAL 49 49 34997 1 . GLN 50 50 34997 1 . VAL 51 51 34997 1 . PRO 52 52 34997 1 . SER 53 53 34997 1 . PRO 54 54 34997 1 . ALA 55 55 34997 1 . ASN 56 56 34997 1 . GLY 57 57 34997 1 . VAL 58 58 34997 1 . ILE 59 59 34997 1 . GLU 60 60 34997 1 . ALA 61 61 34997 1 . LEU 62 62 34997 1 . LEU 63 63 34997 1 . VAL 64 64 34997 1 . PRO 65 65 34997 1 . ASP 66 66 34997 1 . GLY 67 67 34997 1 . GLY 68 68 34997 1 . LYS 69 69 34997 1 . VAL 70 70 34997 1 . GLU 71 71 34997 1 . GLY 72 72 34997 1 . GLY 73 73 34997 1 . THR 74 74 34997 1 . PRO 75 75 34997 1 . LEU 76 76 34997 1 . PHE 77 77 34997 1 . THR 78 78 34997 1 . LEU 79 79 34997 1 . ARG 80 80 34997 1 . LYS 81 81 34997 1 . THR 82 82 34997 1 . GLY 83 83 34997 1 . ALA 84 84 34997 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 34997 _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 . . . . . . . . . . . 'DLST, DLTS' . 34997 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 34997 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . plasmid . . PET52B+ . . . 34997 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34997 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 7 mM [U-100% 13C; U-100% 15N] Lipoyl domain of the E2 subunit in the human alpha-ketoglutarate dehydrogenase complex, 90 % H2O, 10 % [U-100% 2H] D2O, 20 mM potassium phosphate, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Lipoyl domain of the E2 subunit in the human alpha-ketoglutarate dehydrogenase complex' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 7 . . mM . . . . 34997 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34997 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 34997 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34997 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34997 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 3 mM [U-100% 15N] Lipoyl domain of the E2 subunit in the human alpha-ketoglutarate dehydrogenase complex, 90 % H2O, 10 % [U-100% 2H] D2O, 20 mM potassium phosphate, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Lipoyl domain of the E2 subunit in the human alpha-ketoglutarate dehydrogenase complex' '[U-100% 15N]' . . 1 $entity_1 . . 3 . . mM . . . . 34997 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34997 2 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 34997 2 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34997 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34997 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 0.002 M 34997 1 pH 5.5 0.05 pH 34997 1 pressure 1 0.01 atm 34997 1 temperature 298 1 K 34997 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34997 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 3.8 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34997 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34997 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34997 _Software.ID 2 _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' . . 34997 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34997 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34997 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34997 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34997 3 'peak picking' . 34997 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34997 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34997 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34997 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 34997 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34997 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 700 . . . 34997 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 34997 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 5 '3D HNHA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 6 '3D HNHB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 9 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 10 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 11 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 12 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 13 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 14 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 15 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 1 17 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34997 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 34997 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34997 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34997 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34997 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 34997 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34997 1 2 '2D 1H-13C HSQC' . . . 34997 1 3 '2D 1H-1H NOESY' . . . 34997 1 4 '2D 1H-1H TOCSY' . . . 34997 1 5 '3D HNHA' . . . 34997 1 6 '3D HNHB' . . . 34997 1 7 '3D 1H-15N NOESY' . . . 34997 1 8 '3D 1H-15N TOCSY' . . . 34997 1 9 '3D HNCA' . . . 34997 1 10 '3D HN(CO)CA' . . . 34997 1 11 '3D HCACO' . . . 34997 1 12 '3D HNCO' . . . 34997 1 13 '3D HN(COCA)CB' . . . 34997 1 14 '3D HNCACB' . . . 34997 1 15 '3D H(CCO)NH' . . . 34997 1 16 '3D HCCH-TOCSY' . . . 34997 1 17 '3D 1H-13C NOESY aliphatic' . . . 34997 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.932 0.020 . 1 . . 102 . A 1 GLY HA2 . 34997 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.932 0.020 . 1 . . 102 . A 1 GLY HA3 . 34997 1 3 . 1 . 1 1 1 GLY CA C 13 43.410 0.100 . 1 . . 101 . A 1 GLY CA . 34997 1 4 . 1 . 1 2 2 PRO HA H 1 4.363 0.020 . 1 . . 108 . A 2 PRO HA . 34997 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.263 0.020 . 2 . . 110 . A 2 PRO HB2 . 34997 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.924 0.020 . 2 . . 109 . A 2 PRO HB3 . 34997 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.030 0.020 . 2 . . 113 . A 2 PRO HG2 . 34997 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.974 0.020 . 2 . . 112 . A 2 PRO HG3 . 34997 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.543 0.020 . 1 . . 111 . A 2 PRO HD2 . 34997 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.543 0.020 . 1 . . 111 . A 2 PRO HD3 . 34997 1 11 . 1 . 1 2 2 PRO C C 13 177.550 0.100 . 1 . . 103 . A 2 PRO C . 34997 1 12 . 1 . 1 2 2 PRO CA C 13 63.852 0.100 . 1 . . 104 . A 2 PRO CA . 34997 1 13 . 1 . 1 2 2 PRO CB C 13 31.776 0.100 . 1 . . 105 . A 2 PRO CB . 34997 1 14 . 1 . 1 2 2 PRO CG C 13 27.192 0.100 . 1 . . 107 . A 2 PRO CG . 34997 1 15 . 1 . 1 2 2 PRO CD C 13 49.604 0.100 . 1 . . 106 . A 2 PRO CD . 34997 1 16 . 1 . 1 3 3 GLY H H 1 8.746 0.020 . 1 . . 116 . A 3 GLY H . 34997 1 17 . 1 . 1 3 3 GLY HA2 H 1 3.898 0.020 . 2 . . 118 . A 3 GLY HA2 . 34997 1 18 . 1 . 1 3 3 GLY HA3 H 1 3.964 0.020 . 2 . . 117 . A 3 GLY HA3 . 34997 1 19 . 1 . 1 3 3 GLY C C 13 174.573 0.100 . 1 . . 114 . A 3 GLY C . 34997 1 20 . 1 . 1 3 3 GLY CA C 13 45.352 0.100 . 1 . . 115 . A 3 GLY CA . 34997 1 21 . 1 . 1 3 3 GLY N N 15 110.289 0.100 . 1 . . 119 . A 3 GLY N . 34997 1 22 . 1 . 1 4 4 ASP H H 1 7.880 0.020 . 1 . . 123 . A 4 ASP H . 34997 1 23 . 1 . 1 4 4 ASP HA H 1 4.578 0.020 . 1 . . 124 . A 4 ASP HA . 34997 1 24 . 1 . 1 4 4 ASP HB2 H 1 2.670 0.020 . 1 . . 125 . A 4 ASP HB2 . 34997 1 25 . 1 . 1 4 4 ASP HB3 H 1 2.670 0.020 . 1 . . 125 . A 4 ASP HB3 . 34997 1 26 . 1 . 1 4 4 ASP C C 13 175.697 0.100 . 1 . . 120 . A 4 ASP C . 34997 1 27 . 1 . 1 4 4 ASP CA C 13 54.907 0.100 . 1 . . 121 . A 4 ASP CA . 34997 1 28 . 1 . 1 4 4 ASP CB C 13 40.967 0.100 . 1 . . 122 . A 4 ASP CB . 34997 1 29 . 1 . 1 4 4 ASP N N 15 120.000 0.100 . 1 . . 126 . A 4 ASP N . 34997 1 30 . 1 . 1 5 5 ASP H H 1 8.416 0.020 . 1 . . 130 . A 5 ASP H . 34997 1 31 . 1 . 1 5 5 ASP HA H 1 4.508 0.020 . 1 . . 131 . A 5 ASP HA . 34997 1 32 . 1 . 1 5 5 ASP HB2 H 1 2.703 0.020 . 1 . . 132 . A 5 ASP HB2 . 34997 1 33 . 1 . 1 5 5 ASP HB3 H 1 2.703 0.020 . 1 . . 132 . A 5 ASP HB3 . 34997 1 34 . 1 . 1 5 5 ASP C C 13 174.597 0.100 . 1 . . 127 . A 5 ASP C . 34997 1 35 . 1 . 1 5 5 ASP CA C 13 54.215 0.100 . 1 . . 128 . A 5 ASP CA . 34997 1 36 . 1 . 1 5 5 ASP CB C 13 40.660 0.100 . 1 . . 129 . A 5 ASP CB . 34997 1 37 . 1 . 1 5 5 ASP N N 15 118.808 0.100 . 1 . . 133 . A 5 ASP N . 34997 1 38 . 1 . 1 6 6 LEU H H 1 7.666 0.020 . 1 . . 140 . A 6 LEU H . 34997 1 39 . 1 . 1 6 6 LEU HA H 1 5.072 0.020 . 1 . . 141 . A 6 LEU HA . 34997 1 40 . 1 . 1 6 6 LEU HB2 H 1 1.523 0.020 . 2 . . 143 . A 6 LEU HB2 . 34997 1 41 . 1 . 1 6 6 LEU HB3 H 1 1.346 0.020 . 2 . . 142 . A 6 LEU HB3 . 34997 1 42 . 1 . 1 6 6 LEU HG H 1 1.450 0.020 . 1 . . 146 . A 6 LEU HG . 34997 1 43 . 1 . 1 6 6 LEU HD11 H 1 0.763 0.020 . 1 . . 144 . A 6 LEU HD11 . 34997 1 44 . 1 . 1 6 6 LEU HD12 H 1 0.763 0.020 . 1 . . 144 . A 6 LEU HD12 . 34997 1 45 . 1 . 1 6 6 LEU HD13 H 1 0.763 0.020 . 1 . . 144 . A 6 LEU HD13 . 34997 1 46 . 1 . 1 6 6 LEU HD21 H 1 0.694 0.020 . 1 . . 145 . A 6 LEU HD21 . 34997 1 47 . 1 . 1 6 6 LEU HD22 H 1 0.694 0.020 . 1 . . 145 . A 6 LEU HD22 . 34997 1 48 . 1 . 1 6 6 LEU HD23 H 1 0.694 0.020 . 1 . . 145 . A 6 LEU HD23 . 34997 1 49 . 1 . 1 6 6 LEU C C 13 177.070 0.100 . 1 . . 134 . A 6 LEU C . 34997 1 50 . 1 . 1 6 6 LEU CA C 13 53.895 0.100 . 1 . . 135 . A 6 LEU CA . 34997 1 51 . 1 . 1 6 6 LEU CB C 13 43.682 0.100 . 1 . . 136 . A 6 LEU CB . 34997 1 52 . 1 . 1 6 6 LEU CG C 13 26.900 0.100 . 1 . . 139 . A 6 LEU CG . 34997 1 53 . 1 . 1 6 6 LEU CD1 C 13 24.761 0.100 . 1 . . 137 . A 6 LEU CD1 . 34997 1 54 . 1 . 1 6 6 LEU CD2 C 13 23.878 0.100 . 1 . . 138 . A 6 LEU CD2 . 34997 1 55 . 1 . 1 6 6 LEU N N 15 121.080 0.100 . 1 . . 147 . A 6 LEU N . 34997 1 56 . 1 . 1 7 7 VAL H H 1 9.140 0.020 . 1 . . 153 . A 7 VAL H . 34997 1 57 . 1 . 1 7 7 VAL HA H 1 4.301 0.020 . 1 . . 154 . A 7 VAL HA . 34997 1 58 . 1 . 1 7 7 VAL HB H 1 1.908 0.020 . 1 . . 155 . A 7 VAL HB . 34997 1 59 . 1 . 1 7 7 VAL HG11 H 1 0.819 0.020 . 1 . . 156 . A 7 VAL HG11 . 34997 1 60 . 1 . 1 7 7 VAL HG12 H 1 0.819 0.020 . 1 . . 156 . A 7 VAL HG12 . 34997 1 61 . 1 . 1 7 7 VAL HG13 H 1 0.819 0.020 . 1 . . 156 . A 7 VAL HG13 . 34997 1 62 . 1 . 1 7 7 VAL HG21 H 1 0.772 0.020 . 1 . . 157 . A 7 VAL HG21 . 34997 1 63 . 1 . 1 7 7 VAL HG22 H 1 0.772 0.020 . 1 . . 157 . A 7 VAL HG22 . 34997 1 64 . 1 . 1 7 7 VAL HG23 H 1 0.772 0.020 . 1 . . 157 . A 7 VAL HG23 . 34997 1 65 . 1 . 1 7 7 VAL C C 13 174.697 0.100 . 1 . . 148 . A 7 VAL C . 34997 1 66 . 1 . 1 7 7 VAL CA C 13 60.800 0.100 . 1 . . 149 . A 7 VAL CA . 34997 1 67 . 1 . 1 7 7 VAL CB C 13 34.839 0.100 . 1 . . 150 . A 7 VAL CB . 34997 1 68 . 1 . 1 7 7 VAL CG1 C 13 20.719 0.100 . 1 . . 151 . A 7 VAL CG1 . 34997 1 69 . 1 . 1 7 7 VAL CG2 C 13 20.853 0.100 . 1 . . 152 . A 7 VAL CG2 . 34997 1 70 . 1 . 1 7 7 VAL N N 15 123.862 0.100 . 1 . . 158 . A 7 VAL N . 34997 1 71 . 1 . 1 8 8 THR H H 1 8.745 0.020 . 1 . . 163 . A 8 THR H . 34997 1 72 . 1 . 1 8 8 THR HA H 1 4.683 0.020 . 1 . . 164 . A 8 THR HA . 34997 1 73 . 1 . 1 8 8 THR HB H 1 3.811 0.020 . 1 . . 165 . A 8 THR HB . 34997 1 74 . 1 . 1 8 8 THR HG21 H 1 0.877 0.020 . 1 . . 166 . A 8 THR HG21 . 34997 1 75 . 1 . 1 8 8 THR HG22 H 1 0.877 0.020 . 1 . . 166 . A 8 THR HG22 . 34997 1 76 . 1 . 1 8 8 THR HG23 H 1 0.877 0.020 . 1 . . 166 . A 8 THR HG23 . 34997 1 77 . 1 . 1 8 8 THR C C 13 173.605 0.100 . 1 . . 159 . A 8 THR C . 34997 1 78 . 1 . 1 8 8 THR CA C 13 62.260 0.100 . 1 . . 160 . A 8 THR CA . 34997 1 79 . 1 . 1 8 8 THR CB C 13 69.254 0.100 . 1 . . 161 . A 8 THR CB . 34997 1 80 . 1 . 1 8 8 THR CG2 C 13 21.068 0.100 . 1 . . 162 . A 8 THR CG2 . 34997 1 81 . 1 . 1 8 8 THR N N 15 123.851 0.100 . 1 . . 167 . A 8 THR N . 34997 1 82 . 1 . 1 9 9 VAL H H 1 8.542 0.020 . 1 . . 173 . A 9 VAL H . 34997 1 83 . 1 . 1 9 9 VAL HA H 1 3.788 0.020 . 1 . . 174 . A 9 VAL HA . 34997 1 84 . 1 . 1 9 9 VAL HB H 1 0.334 0.020 . 1 . . 175 . A 9 VAL HB . 34997 1 85 . 1 . 1 9 9 VAL HG11 H 1 0.663 0.020 . 1 . . 176 . A 9 VAL HG11 . 34997 1 86 . 1 . 1 9 9 VAL HG12 H 1 0.663 0.020 . 1 . . 176 . A 9 VAL HG12 . 34997 1 87 . 1 . 1 9 9 VAL HG13 H 1 0.663 0.020 . 1 . . 176 . A 9 VAL HG13 . 34997 1 88 . 1 . 1 9 9 VAL HG21 H 1 0.423 0.020 . 1 . . 177 . A 9 VAL HG21 . 34997 1 89 . 1 . 1 9 9 VAL HG22 H 1 0.423 0.020 . 1 . . 177 . A 9 VAL HG22 . 34997 1 90 . 1 . 1 9 9 VAL HG23 H 1 0.423 0.020 . 1 . . 177 . A 9 VAL HG23 . 34997 1 91 . 1 . 1 9 9 VAL C C 13 174.839 0.100 . 1 . . 168 . A 9 VAL C . 34997 1 92 . 1 . 1 9 9 VAL CA C 13 61.940 0.100 . 1 . . 169 . A 9 VAL CA . 34997 1 93 . 1 . 1 9 9 VAL CB C 13 31.789 0.100 . 1 . . 170 . A 9 VAL CB . 34997 1 94 . 1 . 1 9 9 VAL CG1 C 13 21.020 0.100 . 1 . . 171 . A 9 VAL CG1 . 34997 1 95 . 1 . 1 9 9 VAL CG2 C 13 22.342 0.100 . 1 . . 172 . A 9 VAL CG2 . 34997 1 96 . 1 . 1 9 9 VAL N N 15 130.528 0.100 . 1 . . 178 . A 9 VAL N . 34997 1 97 . 1 . 1 10 10 LYS H H 1 8.646 0.020 . 1 . . 185 . A 10 LYS H . 34997 1 98 . 1 . 1 10 10 LYS HA H 1 4.486 0.020 . 1 . . 186 . A 10 LYS HA . 34997 1 99 . 1 . 1 10 10 LYS HB2 H 1 1.507 0.020 . 2 . . 188 . A 10 LYS HB2 . 34997 1 100 . 1 . 1 10 10 LYS HB3 H 1 1.378 0.020 . 2 . . 187 . A 10 LYS HB3 . 34997 1 101 . 1 . 1 10 10 LYS HG2 H 1 1.249 0.020 . 2 . . 192 . A 10 LYS HG2 . 34997 1 102 . 1 . 1 10 10 LYS HG3 H 1 0.994 0.020 . 2 . . 191 . A 10 LYS HG3 . 34997 1 103 . 1 . 1 10 10 LYS HD2 H 1 1.571 0.020 . 1 . . 189 . A 10 LYS HD2 . 34997 1 104 . 1 . 1 10 10 LYS HD3 H 1 1.571 0.020 . 1 . . 189 . A 10 LYS HD3 . 34997 1 105 . 1 . 1 10 10 LYS HE2 H 1 2.859 0.020 . 1 . . 190 . A 10 LYS HE2 . 34997 1 106 . 1 . 1 10 10 LYS HE3 H 1 2.859 0.020 . 1 . . 190 . A 10 LYS HE3 . 34997 1 107 . 1 . 1 10 10 LYS C C 13 174.857 0.100 . 1 . . 179 . A 10 LYS C . 34997 1 108 . 1 . 1 10 10 LYS CA C 13 54.459 0.100 . 1 . . 180 . A 10 LYS CA . 34997 1 109 . 1 . 1 10 10 LYS CB C 13 34.880 0.100 . 1 . . 181 . A 10 LYS CB . 34997 1 110 . 1 . 1 10 10 LYS CG C 13 25.319 0.100 . 1 . . 184 . A 10 LYS CG . 34997 1 111 . 1 . 1 10 10 LYS CD C 13 29.051 0.100 . 1 . . 182 . A 10 LYS CD . 34997 1 112 . 1 . 1 10 10 LYS CE C 13 41.779 0.100 . 1 . . 183 . A 10 LYS CE . 34997 1 113 . 1 . 1 10 10 LYS N N 15 126.462 0.100 . 1 . . 193 . A 10 LYS N . 34997 1 114 . 1 . 1 11 11 THR H H 1 7.986 0.020 . 1 . . 198 . A 11 THR H . 34997 1 115 . 1 . 1 11 11 THR HA H 1 3.897 0.020 . 1 . . 199 . A 11 THR HA . 34997 1 116 . 1 . 1 11 11 THR HB H 1 4.193 0.020 . 1 . . 200 . A 11 THR HB . 34997 1 117 . 1 . 1 11 11 THR HG21 H 1 1.015 0.020 . 1 . . 201 . A 11 THR HG21 . 34997 1 118 . 1 . 1 11 11 THR HG22 H 1 1.015 0.020 . 1 . . 201 . A 11 THR HG22 . 34997 1 119 . 1 . 1 11 11 THR HG23 H 1 1.015 0.020 . 1 . . 201 . A 11 THR HG23 . 34997 1 120 . 1 . 1 11 11 THR C C 13 173.264 0.100 . 1 . . 194 . A 11 THR C . 34997 1 121 . 1 . 1 11 11 THR CA C 13 62.512 0.100 . 1 . . 195 . A 11 THR CA . 34997 1 122 . 1 . 1 11 11 THR CB C 13 69.564 0.100 . 1 . . 196 . A 11 THR CB . 34997 1 123 . 1 . 1 11 11 THR CG2 C 13 21.153 0.100 . 1 . . 197 . A 11 THR CG2 . 34997 1 124 . 1 . 1 11 11 THR N N 15 118.536 0.100 . 1 . . 202 . A 11 THR N . 34997 1 125 . 1 . 1 12 12 PRO HA H 1 4.223 0.020 . 1 . . 208 . A 12 PRO HA . 34997 1 126 . 1 . 1 12 12 PRO HB2 H 1 2.211 0.020 . 2 . . 210 . A 12 PRO HB2 . 34997 1 127 . 1 . 1 12 12 PRO HB3 H 1 1.723 0.020 . 2 . . 209 . A 12 PRO HB3 . 34997 1 128 . 1 . 1 12 12 PRO HG2 H 1 1.948 0.020 . 2 . . 214 . A 12 PRO HG2 . 34997 1 129 . 1 . 1 12 12 PRO HG3 H 1 1.784 0.020 . 2 . . 213 . A 12 PRO HG3 . 34997 1 130 . 1 . 1 12 12 PRO HD2 H 1 3.727 0.020 . 2 . . 212 . A 12 PRO HD2 . 34997 1 131 . 1 . 1 12 12 PRO HD3 H 1 3.310 0.020 . 2 . . 211 . A 12 PRO HD3 . 34997 1 132 . 1 . 1 12 12 PRO C C 13 174.012 0.100 . 1 . . 203 . A 12 PRO C . 34997 1 133 . 1 . 1 12 12 PRO CA C 13 62.312 0.100 . 1 . . 204 . A 12 PRO CA . 34997 1 134 . 1 . 1 12 12 PRO CB C 13 32.045 0.100 . 1 . . 205 . A 12 PRO CB . 34997 1 135 . 1 . 1 12 12 PRO CG C 13 26.746 0.100 . 1 . . 207 . A 12 PRO CG . 34997 1 136 . 1 . 1 12 12 PRO CD C 13 51.041 0.100 . 1 . . 206 . A 12 PRO CD . 34997 1 137 . 1 . 1 13 13 ALA H H 1 7.881 0.020 . 1 . . 218 . A 13 ALA H . 34997 1 138 . 1 . 1 13 13 ALA HA H 1 3.916 0.020 . 1 . . 219 . A 13 ALA HA . 34997 1 139 . 1 . 1 13 13 ALA HB1 H 1 1.221 0.020 . 1 . . 220 . A 13 ALA HB1 . 34997 1 140 . 1 . 1 13 13 ALA HB2 H 1 1.221 0.020 . 1 . . 220 . A 13 ALA HB2 . 34997 1 141 . 1 . 1 13 13 ALA HB3 H 1 1.221 0.020 . 1 . . 220 . A 13 ALA HB3 . 34997 1 142 . 1 . 1 13 13 ALA C C 13 178.417 0.100 . 1 . . 215 . A 13 ALA C . 34997 1 143 . 1 . 1 13 13 ALA CA C 13 52.379 0.100 . 1 . . 216 . A 13 ALA CA . 34997 1 144 . 1 . 1 13 13 ALA CB C 13 18.413 0.100 . 1 . . 217 . A 13 ALA CB . 34997 1 145 . 1 . 1 13 13 ALA N N 15 120.073 0.100 . 1 . . 221 . A 13 ALA N . 34997 1 146 . 1 . 1 14 14 PHE H H 1 8.266 0.020 . 1 . . 225 . A 14 PHE H . 34997 1 147 . 1 . 1 14 14 PHE HA H 1 4.521 0.020 . 1 . . 226 . A 14 PHE HA . 34997 1 148 . 1 . 1 14 14 PHE HB2 H 1 3.160 0.020 . 2 . . 228 . A 14 PHE HB2 . 34997 1 149 . 1 . 1 14 14 PHE HB3 H 1 2.934 0.020 . 2 . . 227 . A 14 PHE HB3 . 34997 1 150 . 1 . 1 14 14 PHE HD1 H 1 7.120 0.020 . 1 . . 229 . A 14 PHE HD1 . 34997 1 151 . 1 . 1 14 14 PHE HD2 H 1 7.120 0.020 . 1 . . 229 . A 14 PHE HD2 . 34997 1 152 . 1 . 1 14 14 PHE HE1 H 1 6.846 0.020 . 1 . . 230 . A 14 PHE HE1 . 34997 1 153 . 1 . 1 14 14 PHE HE2 H 1 6.846 0.020 . 1 . . 230 . A 14 PHE HE2 . 34997 1 154 . 1 . 1 14 14 PHE HZ H 1 6.720 0.020 . 1 . . 231 . A 14 PHE HZ . 34997 1 155 . 1 . 1 14 14 PHE C C 13 175.984 0.100 . 1 . . 222 . A 14 PHE C . 34997 1 156 . 1 . 1 14 14 PHE CA C 13 56.441 0.100 . 1 . . 223 . A 14 PHE CA . 34997 1 157 . 1 . 1 14 14 PHE CB C 13 40.252 0.100 . 1 . . 224 . A 14 PHE CB . 34997 1 158 . 1 . 1 14 14 PHE N N 15 121.453 0.100 . 1 . . 232 . A 14 PHE N . 34997 1 159 . 1 . 1 15 15 ALA H H 1 8.519 0.020 . 1 . . 236 . A 15 ALA H . 34997 1 160 . 1 . 1 15 15 ALA HA H 1 4.283 0.020 . 1 . . 237 . A 15 ALA HA . 34997 1 161 . 1 . 1 15 15 ALA HB1 H 1 1.401 0.020 . 1 . . 238 . A 15 ALA HB1 . 34997 1 162 . 1 . 1 15 15 ALA HB2 H 1 1.401 0.020 . 1 . . 238 . A 15 ALA HB2 . 34997 1 163 . 1 . 1 15 15 ALA HB3 H 1 1.401 0.020 . 1 . . 238 . A 15 ALA HB3 . 34997 1 164 . 1 . 1 15 15 ALA C C 13 177.361 0.100 . 1 . . 233 . A 15 ALA C . 34997 1 165 . 1 . 1 15 15 ALA CA C 13 52.432 0.100 . 1 . . 234 . A 15 ALA CA . 34997 1 166 . 1 . 1 15 15 ALA CB C 13 19.617 0.100 . 1 . . 235 . A 15 ALA CB . 34997 1 167 . 1 . 1 15 15 ALA N N 15 123.978 0.100 . 1 . . 239 . A 15 ALA N . 34997 1 168 . 1 . 1 16 16 GLU H H 1 8.293 0.020 . 1 . . 244 . A 16 GLU H . 34997 1 169 . 1 . 1 16 16 GLU HA H 1 4.139 0.020 . 1 . . 245 . A 16 GLU HA . 34997 1 170 . 1 . 1 16 16 GLU HB2 H 1 2.055 0.020 . 2 . . 247 . A 16 GLU HB2 . 34997 1 171 . 1 . 1 16 16 GLU HB3 H 1 1.999 0.020 . 2 . . 246 . A 16 GLU HB3 . 34997 1 172 . 1 . 1 16 16 GLU HG2 H 1 2.241 0.020 . 1 . . 248 . A 16 GLU HG2 . 34997 1 173 . 1 . 1 16 16 GLU HG3 H 1 2.241 0.020 . 1 . . 248 . A 16 GLU HG3 . 34997 1 174 . 1 . 1 16 16 GLU C C 13 176.675 0.100 . 1 . . 240 . A 16 GLU C . 34997 1 175 . 1 . 1 16 16 GLU CA C 13 57.135 0.100 . 1 . . 241 . A 16 GLU CA . 34997 1 176 . 1 . 1 16 16 GLU CB C 13 29.507 0.100 . 1 . . 242 . A 16 GLU CB . 34997 1 177 . 1 . 1 16 16 GLU CG C 13 36.103 0.100 . 1 . . 243 . A 16 GLU CG . 34997 1 178 . 1 . 1 16 16 GLU N N 15 116.515 0.100 . 1 . . 249 . A 16 GLU N . 34997 1 179 . 1 . 1 17 17 SER H H 1 8.332 0.020 . 1 . . 253 . A 17 SER H . 34997 1 180 . 1 . 1 17 17 SER HA H 1 4.222 0.020 . 1 . . 254 . A 17 SER HA . 34997 1 181 . 1 . 1 17 17 SER HB2 H 1 3.992 0.020 . 2 . . 256 . A 17 SER HB2 . 34997 1 182 . 1 . 1 17 17 SER HB3 H 1 3.897 0.020 . 2 . . 255 . A 17 SER HB3 . 34997 1 183 . 1 . 1 17 17 SER C C 13 174.046 0.100 . 1 . . 250 . A 17 SER C . 34997 1 184 . 1 . 1 17 17 SER CA C 13 59.591 0.100 . 1 . . 251 . A 17 SER CA . 34997 1 185 . 1 . 1 17 17 SER CB C 13 62.956 0.100 . 1 . . 252 . A 17 SER CB . 34997 1 186 . 1 . 1 17 17 SER N N 15 114.121 0.100 . 1 . . 257 . A 17 SER N . 34997 1 187 . 1 . 1 18 18 VAL H H 1 7.716 0.020 . 1 . . 263 . A 18 VAL H . 34997 1 188 . 1 . 1 18 18 VAL HA H 1 4.155 0.020 . 1 . . 264 . A 18 VAL HA . 34997 1 189 . 1 . 1 18 18 VAL HB H 1 2.108 0.020 . 1 . . 265 . A 18 VAL HB . 34997 1 190 . 1 . 1 18 18 VAL HG11 H 1 0.728 0.020 . 1 . . 266 . A 18 VAL HG11 . 34997 1 191 . 1 . 1 18 18 VAL HG12 H 1 0.728 0.020 . 1 . . 266 . A 18 VAL HG12 . 34997 1 192 . 1 . 1 18 18 VAL HG13 H 1 0.728 0.020 . 1 . . 266 . A 18 VAL HG13 . 34997 1 193 . 1 . 1 18 18 VAL HG21 H 1 0.836 0.020 . 1 . . 267 . A 18 VAL HG21 . 34997 1 194 . 1 . 1 18 18 VAL HG22 H 1 0.836 0.020 . 1 . . 267 . A 18 VAL HG22 . 34997 1 195 . 1 . 1 18 18 VAL HG23 H 1 0.836 0.020 . 1 . . 267 . A 18 VAL HG23 . 34997 1 196 . 1 . 1 18 18 VAL C C 13 175.682 0.100 . 1 . . 258 . A 18 VAL C . 34997 1 197 . 1 . 1 18 18 VAL CA C 13 62.085 0.100 . 1 . . 259 . A 18 VAL CA . 34997 1 198 . 1 . 1 18 18 VAL CB C 13 32.840 0.100 . 1 . . 260 . A 18 VAL CB . 34997 1 199 . 1 . 1 18 18 VAL CG1 C 13 21.684 0.100 . 1 . . 261 . A 18 VAL CG1 . 34997 1 200 . 1 . 1 18 18 VAL CG2 C 13 20.820 0.100 . 1 . . 262 . A 18 VAL CG2 . 34997 1 201 . 1 . 1 18 18 VAL N N 15 121.062 0.100 . 1 . . 268 . A 18 VAL N . 34997 1 202 . 1 . 1 19 19 THR H H 1 8.423 0.020 . 1 . . 273 . A 19 THR H . 34997 1 203 . 1 . 1 19 19 THR HA H 1 4.332 0.020 . 1 . . 274 . A 19 THR HA . 34997 1 204 . 1 . 1 19 19 THR HB H 1 4.160 0.020 . 1 . . 275 . A 19 THR HB . 34997 1 205 . 1 . 1 19 19 THR HG21 H 1 1.017 0.020 . 1 . . 276 . A 19 THR HG21 . 34997 1 206 . 1 . 1 19 19 THR HG22 H 1 1.017 0.020 . 1 . . 276 . A 19 THR HG22 . 34997 1 207 . 1 . 1 19 19 THR HG23 H 1 1.017 0.020 . 1 . . 276 . A 19 THR HG23 . 34997 1 208 . 1 . 1 19 19 THR C C 13 173.689 0.100 . 1 . . 269 . A 19 THR C . 34997 1 209 . 1 . 1 19 19 THR CA C 13 62.189 0.100 . 1 . . 270 . A 19 THR CA . 34997 1 210 . 1 . 1 19 19 THR CB C 13 69.951 0.100 . 1 . . 271 . A 19 THR CB . 34997 1 211 . 1 . 1 19 19 THR CG2 C 13 21.712 0.100 . 1 . . 272 . A 19 THR CG2 . 34997 1 212 . 1 . 1 19 19 THR N N 15 115.502 0.100 . 1 . . 277 . A 19 THR N . 34997 1 213 . 1 . 1 20 20 GLU H H 1 7.461 0.020 . 1 . . 282 . A 20 GLU H . 34997 1 214 . 1 . 1 20 20 GLU HA H 1 5.066 0.020 . 1 . . 283 . A 20 GLU HA . 34997 1 215 . 1 . 1 20 20 GLU HB2 H 1 1.821 0.020 . 1 . . 284 . A 20 GLU HB2 . 34997 1 216 . 1 . 1 20 20 GLU HB3 H 1 1.821 0.020 . 1 . . 284 . A 20 GLU HB3 . 34997 1 217 . 1 . 1 20 20 GLU HG2 H 1 2.122 0.020 . 2 . . 286 . A 20 GLU HG2 . 34997 1 218 . 1 . 1 20 20 GLU HG3 H 1 2.062 0.020 . 2 . . 285 . A 20 GLU HG3 . 34997 1 219 . 1 . 1 20 20 GLU C C 13 174.198 0.100 . 1 . . 278 . A 20 GLU C . 34997 1 220 . 1 . 1 20 20 GLU CA C 13 54.560 0.100 . 1 . . 279 . A 20 GLU CA . 34997 1 221 . 1 . 1 20 20 GLU CB C 13 32.644 0.100 . 1 . . 280 . A 20 GLU CB . 34997 1 222 . 1 . 1 20 20 GLU CG C 13 34.873 0.100 . 1 . . 281 . A 20 GLU CG . 34997 1 223 . 1 . 1 20 20 GLU N N 15 119.474 0.100 . 1 . . 287 . A 20 GLU N . 34997 1 224 . 1 . 1 21 21 GLY H H 1 8.262 0.020 . 1 . . 290 . A 21 GLY H . 34997 1 225 . 1 . 1 21 21 GLY HA2 H 1 4.412 0.020 . 2 . . 292 . A 21 GLY HA2 . 34997 1 226 . 1 . 1 21 21 GLY HA3 H 1 3.223 0.020 . 2 . . 291 . A 21 GLY HA3 . 34997 1 227 . 1 . 1 21 21 GLY C C 13 170.777 0.100 . 1 . . 288 . A 21 GLY C . 34997 1 228 . 1 . 1 21 21 GLY CA C 13 44.908 0.100 . 1 . . 289 . A 21 GLY CA . 34997 1 229 . 1 . 1 21 21 GLY N N 15 106.817 0.100 . 1 . . 293 . A 21 GLY N . 34997 1 230 . 1 . 1 22 22 ASP H H 1 8.503 0.020 . 1 . . 297 . A 22 ASP H . 34997 1 231 . 1 . 1 22 22 ASP HA H 1 5.533 0.020 . 1 . . 298 . A 22 ASP HA . 34997 1 232 . 1 . 1 22 22 ASP HB2 H 1 2.421 0.020 . 2 . . 300 . A 22 ASP HB2 . 34997 1 233 . 1 . 1 22 22 ASP HB3 H 1 2.271 0.020 . 2 . . 299 . A 22 ASP HB3 . 34997 1 234 . 1 . 1 22 22 ASP C C 13 175.344 0.100 . 1 . . 294 . A 22 ASP C . 34997 1 235 . 1 . 1 22 22 ASP CA C 13 52.050 0.100 . 1 . . 295 . A 22 ASP CA . 34997 1 236 . 1 . 1 22 22 ASP CB C 13 42.226 0.100 . 1 . . 296 . A 22 ASP CB . 34997 1 237 . 1 . 1 22 22 ASP N N 15 117.910 0.100 . 1 . . 301 . A 22 ASP N . 34997 1 238 . 1 . 1 23 23 VAL H H 1 8.538 0.020 . 1 . . 307 . A 23 VAL H . 34997 1 239 . 1 . 1 23 23 VAL HA H 1 4.062 0.020 . 1 . . 308 . A 23 VAL HA . 34997 1 240 . 1 . 1 23 23 VAL HB H 1 1.534 0.020 . 1 . . 309 . A 23 VAL HB . 34997 1 241 . 1 . 1 23 23 VAL HG11 H 1 0.310 0.020 . 1 . . 310 . A 23 VAL HG11 . 34997 1 242 . 1 . 1 23 23 VAL HG12 H 1 0.310 0.020 . 1 . . 310 . A 23 VAL HG12 . 34997 1 243 . 1 . 1 23 23 VAL HG13 H 1 0.310 0.020 . 1 . . 310 . A 23 VAL HG13 . 34997 1 244 . 1 . 1 23 23 VAL HG21 H 1 0.049 0.020 . 1 . . 311 . A 23 VAL HG21 . 34997 1 245 . 1 . 1 23 23 VAL HG22 H 1 0.049 0.020 . 1 . . 311 . A 23 VAL HG22 . 34997 1 246 . 1 . 1 23 23 VAL HG23 H 1 0.049 0.020 . 1 . . 311 . A 23 VAL HG23 . 34997 1 247 . 1 . 1 23 23 VAL C C 13 174.332 0.100 . 1 . . 302 . A 23 VAL C . 34997 1 248 . 1 . 1 23 23 VAL CA C 13 62.362 0.100 . 1 . . 303 . A 23 VAL CA . 34997 1 249 . 1 . 1 23 23 VAL CB C 13 33.304 0.100 . 1 . . 304 . A 23 VAL CB . 34997 1 250 . 1 . 1 23 23 VAL CG1 C 13 23.775 0.100 . 1 . . 305 . A 23 VAL CG1 . 34997 1 251 . 1 . 1 23 23 VAL CG2 C 13 19.834 0.100 . 1 . . 306 . A 23 VAL CG2 . 34997 1 252 . 1 . 1 23 23 VAL N N 15 122.912 0.100 . 1 . . 312 . A 23 VAL N . 34997 1 253 . 1 . 1 24 24 ARG H H 1 8.707 0.020 . 1 . . 318 . A 24 ARG H . 34997 1 254 . 1 . 1 24 24 ARG HA H 1 4.831 0.020 . 1 . . 319 . A 24 ARG HA . 34997 1 255 . 1 . 1 24 24 ARG HB2 H 1 1.758 0.020 . 2 . . 321 . A 24 ARG HB2 . 34997 1 256 . 1 . 1 24 24 ARG HB3 H 1 1.613 0.020 . 2 . . 320 . A 24 ARG HB3 . 34997 1 257 . 1 . 1 24 24 ARG HG2 H 1 1.598 0.020 . 2 . . 326 . A 24 ARG HG2 . 34997 1 258 . 1 . 1 24 24 ARG HG3 H 1 1.328 0.020 . 2 . . 325 . A 24 ARG HG3 . 34997 1 259 . 1 . 1 24 24 ARG HD2 H 1 3.160 0.020 . 2 . . 323 . A 24 ARG HD2 . 34997 1 260 . 1 . 1 24 24 ARG HD3 H 1 3.095 0.020 . 2 . . 322 . A 24 ARG HD3 . 34997 1 261 . 1 . 1 24 24 ARG HE H 1 7.248 0.020 . 1 . . 324 . A 24 ARG HE . 34997 1 262 . 1 . 1 24 24 ARG C C 13 175.961 0.100 . 1 . . 313 . A 24 ARG C . 34997 1 263 . 1 . 1 24 24 ARG CA C 13 53.592 0.100 . 1 . . 314 . A 24 ARG CA . 34997 1 264 . 1 . 1 24 24 ARG CB C 13 31.498 0.100 . 1 . . 315 . A 24 ARG CB . 34997 1 265 . 1 . 1 24 24 ARG CG C 13 26.445 0.100 . 1 . . 317 . A 24 ARG CG . 34997 1 266 . 1 . 1 24 24 ARG CD C 13 43.127 0.100 . 1 . . 316 . A 24 ARG CD . 34997 1 267 . 1 . 1 24 24 ARG N N 15 127.843 0.100 . 1 . . 327 . A 24 ARG N . 34997 1 268 . 1 . 1 25 25 TRP H H 1 8.696 0.020 . 1 . . 331 . A 25 TRP H . 34997 1 269 . 1 . 1 25 25 TRP HA H 1 4.574 0.020 . 1 . . 332 . A 25 TRP HA . 34997 1 270 . 1 . 1 25 25 TRP HB2 H 1 3.622 0.020 . 2 . . 334 . A 25 TRP HB2 . 34997 1 271 . 1 . 1 25 25 TRP HB3 H 1 3.099 0.020 . 2 . . 333 . A 25 TRP HB3 . 34997 1 272 . 1 . 1 25 25 TRP HD1 H 1 7.111 0.020 . 1 . . 335 . A 25 TRP HD1 . 34997 1 273 . 1 . 1 25 25 TRP HE1 H 1 10.179 0.020 . 1 . . 336 . A 25 TRP HE1 . 34997 1 274 . 1 . 1 25 25 TRP HE3 H 1 7.451 0.020 . 1 . . 337 . A 25 TRP HE3 . 34997 1 275 . 1 . 1 25 25 TRP HZ2 H 1 7.639 0.020 . 1 . . 339 . A 25 TRP HZ2 . 34997 1 276 . 1 . 1 25 25 TRP HZ3 H 1 6.573 0.020 . 1 . . 340 . A 25 TRP HZ3 . 34997 1 277 . 1 . 1 25 25 TRP HH2 H 1 7.316 0.020 . 1 . . 338 . A 25 TRP HH2 . 34997 1 278 . 1 . 1 25 25 TRP C C 13 177.872 0.100 . 1 . . 328 . A 25 TRP C . 34997 1 279 . 1 . 1 25 25 TRP CA C 13 58.806 0.100 . 1 . . 329 . A 25 TRP CA . 34997 1 280 . 1 . 1 25 25 TRP CB C 13 30.931 0.100 . 1 . . 330 . A 25 TRP CB . 34997 1 281 . 1 . 1 25 25 TRP N N 15 125.740 0.100 . 1 . . 341 . A 25 TRP N . 34997 1 282 . 1 . 1 25 25 TRP NE1 N 15 127.502 0.100 . 1 . . 342 . A 25 TRP NE1 . 34997 1 283 . 1 . 1 26 26 GLU H H 1 8.698 0.020 . 1 . . 347 . A 26 GLU H . 34997 1 284 . 1 . 1 26 26 GLU HA H 1 4.693 0.020 . 1 . . 348 . A 26 GLU HA . 34997 1 285 . 1 . 1 26 26 GLU HB2 H 1 2.341 0.020 . 2 . . 350 . A 26 GLU HB2 . 34997 1 286 . 1 . 1 26 26 GLU HB3 H 1 1.426 0.020 . 2 . . 349 . A 26 GLU HB3 . 34997 1 287 . 1 . 1 26 26 GLU HG2 H 1 2.189 0.020 . 2 . . 352 . A 26 GLU HG2 . 34997 1 288 . 1 . 1 26 26 GLU HG3 H 1 2.141 0.020 . 2 . . 351 . A 26 GLU HG3 . 34997 1 289 . 1 . 1 26 26 GLU C C 13 174.976 0.100 . 1 . . 343 . A 26 GLU C . 34997 1 290 . 1 . 1 26 26 GLU CA C 13 55.079 0.100 . 1 . . 344 . A 26 GLU CA . 34997 1 291 . 1 . 1 26 26 GLU CB C 13 29.503 0.100 . 1 . . 345 . A 26 GLU CB . 34997 1 292 . 1 . 1 26 26 GLU CG C 13 33.218 0.100 . 1 . . 346 . A 26 GLU CG . 34997 1 293 . 1 . 1 26 26 GLU N N 15 118.117 0.100 . 1 . . 353 . A 26 GLU N . 34997 1 294 . 1 . 1 27 27 LYS H H 1 7.372 0.020 . 1 . . 360 . A 27 LYS H . 34997 1 295 . 1 . 1 27 27 LYS HA H 1 4.620 0.020 . 1 . . 361 . A 27 LYS HA . 34997 1 296 . 1 . 1 27 27 LYS HB2 H 1 1.871 0.020 . 2 . . 363 . A 27 LYS HB2 . 34997 1 297 . 1 . 1 27 27 LYS HB3 H 1 1.395 0.020 . 2 . . 362 . A 27 LYS HB3 . 34997 1 298 . 1 . 1 27 27 LYS HG2 H 1 1.443 0.020 . 2 . . 368 . A 27 LYS HG2 . 34997 1 299 . 1 . 1 27 27 LYS HG3 H 1 1.210 0.020 . 2 . . 367 . A 27 LYS HG3 . 34997 1 300 . 1 . 1 27 27 LYS HD2 H 1 1.600 0.020 . 2 . . 365 . A 27 LYS HD2 . 34997 1 301 . 1 . 1 27 27 LYS HD3 H 1 2.026 0.020 . 2 . . 364 . A 27 LYS HD3 . 34997 1 302 . 1 . 1 27 27 LYS HE2 H 1 2.818 0.020 . 1 . . 366 . A 27 LYS HE2 . 34997 1 303 . 1 . 1 27 27 LYS HE3 H 1 2.818 0.020 . 1 . . 366 . A 27 LYS HE3 . 34997 1 304 . 1 . 1 27 27 LYS C C 13 173.156 0.100 . 1 . . 354 . A 27 LYS C . 34997 1 305 . 1 . 1 27 27 LYS CA C 13 52.308 0.100 . 1 . . 355 . A 27 LYS CA . 34997 1 306 . 1 . 1 27 27 LYS CB C 13 37.171 0.100 . 1 . . 356 . A 27 LYS CB . 34997 1 307 . 1 . 1 27 27 LYS CG C 13 25.558 0.100 . 1 . . 359 . A 27 LYS CG . 34997 1 308 . 1 . 1 27 27 LYS CD C 13 27.787 0.100 . 1 . . 357 . A 27 LYS CD . 34997 1 309 . 1 . 1 27 27 LYS CE C 13 42.509 0.100 . 1 . . 358 . A 27 LYS CE . 34997 1 310 . 1 . 1 27 27 LYS N N 15 117.020 0.100 . 1 . . 369 . A 27 LYS N . 34997 1 311 . 1 . 1 28 28 ALA H H 1 8.801 0.020 . 1 . . 373 . A 28 ALA H . 34997 1 312 . 1 . 1 28 28 ALA HA H 1 4.443 0.020 . 1 . . 374 . A 28 ALA HA . 34997 1 313 . 1 . 1 28 28 ALA HB1 H 1 1.210 0.020 . 1 . . 375 . A 28 ALA HB1 . 34997 1 314 . 1 . 1 28 28 ALA HB2 H 1 1.210 0.020 . 1 . . 375 . A 28 ALA HB2 . 34997 1 315 . 1 . 1 28 28 ALA HB3 H 1 1.210 0.020 . 1 . . 375 . A 28 ALA HB3 . 34997 1 316 . 1 . 1 28 28 ALA C C 13 176.811 0.100 . 1 . . 370 . A 28 ALA C . 34997 1 317 . 1 . 1 28 28 ALA CA C 13 49.473 0.100 . 1 . . 371 . A 28 ALA CA . 34997 1 318 . 1 . 1 28 28 ALA CB C 13 22.428 0.100 . 1 . . 372 . A 28 ALA CB . 34997 1 319 . 1 . 1 28 28 ALA N N 15 122.342 0.100 . 1 . . 376 . A 28 ALA N . 34997 1 320 . 1 . 1 29 29 VAL H H 1 8.003 0.020 . 1 . . 382 . A 29 VAL H . 34997 1 321 . 1 . 1 29 29 VAL HA H 1 3.078 0.020 . 1 . . 383 . A 29 VAL HA . 34997 1 322 . 1 . 1 29 29 VAL HB H 1 1.708 0.020 . 1 . . 384 . A 29 VAL HB . 34997 1 323 . 1 . 1 29 29 VAL HG11 H 1 0.786 0.020 . 1 . . 385 . A 29 VAL HG11 . 34997 1 324 . 1 . 1 29 29 VAL HG12 H 1 0.786 0.020 . 1 . . 385 . A 29 VAL HG12 . 34997 1 325 . 1 . 1 29 29 VAL HG13 H 1 0.786 0.020 . 1 . . 385 . A 29 VAL HG13 . 34997 1 326 . 1 . 1 29 29 VAL HG21 H 1 0.766 0.020 . 1 . . 386 . A 29 VAL HG21 . 34997 1 327 . 1 . 1 29 29 VAL HG22 H 1 0.766 0.020 . 1 . . 386 . A 29 VAL HG22 . 34997 1 328 . 1 . 1 29 29 VAL HG23 H 1 0.766 0.020 . 1 . . 386 . A 29 VAL HG23 . 34997 1 329 . 1 . 1 29 29 VAL C C 13 177.336 0.100 . 1 . . 377 . A 29 VAL C . 34997 1 330 . 1 . 1 29 29 VAL CA C 13 65.400 0.100 . 1 . . 378 . A 29 VAL CA . 34997 1 331 . 1 . 1 29 29 VAL CB C 13 31.091 0.100 . 1 . . 379 . A 29 VAL CB . 34997 1 332 . 1 . 1 29 29 VAL CG1 C 13 23.284 0.100 . 1 . . 380 . A 29 VAL CG1 . 34997 1 333 . 1 . 1 29 29 VAL CG2 C 13 21.098 0.100 . 1 . . 381 . A 29 VAL CG2 . 34997 1 334 . 1 . 1 29 29 VAL N N 15 117.960 0.100 . 1 . . 387 . A 29 VAL N . 34997 1 335 . 1 . 1 30 30 GLY H H 1 8.897 0.020 . 1 . . 390 . A 30 GLY H . 34997 1 336 . 1 . 1 30 30 GLY HA2 H 1 4.321 0.020 . 2 . . 392 . A 30 GLY HA2 . 34997 1 337 . 1 . 1 30 30 GLY HA3 H 1 3.445 0.020 . 2 . . 391 . A 30 GLY HA3 . 34997 1 338 . 1 . 1 30 30 GLY C C 13 174.270 0.100 . 1 . . 388 . A 30 GLY C . 34997 1 339 . 1 . 1 30 30 GLY CA C 13 44.557 0.100 . 1 . . 389 . A 30 GLY CA . 34997 1 340 . 1 . 1 30 30 GLY N N 15 116.291 0.100 . 1 . . 393 . A 30 GLY N . 34997 1 341 . 1 . 1 31 31 ASP H H 1 8.016 0.020 . 1 . . 397 . A 31 ASP H . 34997 1 342 . 1 . 1 31 31 ASP HA H 1 4.619 0.020 . 1 . . 398 . A 31 ASP HA . 34997 1 343 . 1 . 1 31 31 ASP HB2 H 1 2.577 0.020 . 2 . . 400 . A 31 ASP HB2 . 34997 1 344 . 1 . 1 31 31 ASP HB3 H 1 2.838 0.020 . 2 . . 399 . A 31 ASP HB3 . 34997 1 345 . 1 . 1 31 31 ASP C C 13 176.291 0.100 . 1 . . 394 . A 31 ASP C . 34997 1 346 . 1 . 1 31 31 ASP CA C 13 54.958 0.100 . 1 . . 395 . A 31 ASP CA . 34997 1 347 . 1 . 1 31 31 ASP CB C 13 41.012 0.100 . 1 . . 396 . A 31 ASP CB . 34997 1 348 . 1 . 1 31 31 ASP N N 15 121.472 0.100 . 1 . . 401 . A 31 ASP N . 34997 1 349 . 1 . 1 32 32 THR H H 1 8.446 0.020 . 1 . . 406 . A 32 THR H . 34997 1 350 . 1 . 1 32 32 THR HA H 1 4.769 0.020 . 1 . . 407 . A 32 THR HA . 34997 1 351 . 1 . 1 32 32 THR HB H 1 4.062 0.020 . 1 . . 408 . A 32 THR HB . 34997 1 352 . 1 . 1 32 32 THR HG21 H 1 1.155 0.020 . 1 . . 409 . A 32 THR HG21 . 34997 1 353 . 1 . 1 32 32 THR HG22 H 1 1.155 0.020 . 1 . . 409 . A 32 THR HG22 . 34997 1 354 . 1 . 1 32 32 THR HG23 H 1 1.155 0.020 . 1 . . 409 . A 32 THR HG23 . 34997 1 355 . 1 . 1 32 32 THR C C 13 174.282 0.100 . 1 . . 402 . A 32 THR C . 34997 1 356 . 1 . 1 32 32 THR CA C 13 62.407 0.100 . 1 . . 403 . A 32 THR CA . 34997 1 357 . 1 . 1 32 32 THR CB C 13 69.607 0.100 . 1 . . 404 . A 32 THR CB . 34997 1 358 . 1 . 1 32 32 THR CG2 C 13 21.749 0.100 . 1 . . 405 . A 32 THR CG2 . 34997 1 359 . 1 . 1 32 32 THR N N 15 116.501 0.100 . 1 . . 410 . A 32 THR N . 34997 1 360 . 1 . 1 33 33 VAL H H 1 9.195 0.020 . 1 . . 416 . A 33 VAL H . 34997 1 361 . 1 . 1 33 33 VAL HA H 1 4.762 0.020 . 1 . . 417 . A 33 VAL HA . 34997 1 362 . 1 . 1 33 33 VAL HB H 1 1.903 0.020 . 1 . . 418 . A 33 VAL HB . 34997 1 363 . 1 . 1 33 33 VAL HG11 H 1 0.737 0.020 . 1 . . 419 . A 33 VAL HG11 . 34997 1 364 . 1 . 1 33 33 VAL HG12 H 1 0.737 0.020 . 1 . . 419 . A 33 VAL HG12 . 34997 1 365 . 1 . 1 33 33 VAL HG13 H 1 0.737 0.020 . 1 . . 419 . A 33 VAL HG13 . 34997 1 366 . 1 . 1 33 33 VAL HG21 H 1 0.771 0.020 . 1 . . 420 . A 33 VAL HG21 . 34997 1 367 . 1 . 1 33 33 VAL HG22 H 1 0.771 0.020 . 1 . . 420 . A 33 VAL HG22 . 34997 1 368 . 1 . 1 33 33 VAL HG23 H 1 0.771 0.020 . 1 . . 420 . A 33 VAL HG23 . 34997 1 369 . 1 . 1 33 33 VAL C C 13 173.771 0.100 . 1 . . 411 . A 33 VAL C . 34997 1 370 . 1 . 1 33 33 VAL CA C 13 58.622 0.100 . 1 . . 412 . A 33 VAL CA . 34997 1 371 . 1 . 1 33 33 VAL CB C 13 35.566 0.100 . 1 . . 413 . A 33 VAL CB . 34997 1 372 . 1 . 1 33 33 VAL CG1 C 13 22.273 0.100 . 1 . . 414 . A 33 VAL CG1 . 34997 1 373 . 1 . 1 33 33 VAL CG2 C 13 20.194 0.100 . 1 . . 415 . A 33 VAL CG2 . 34997 1 374 . 1 . 1 33 33 VAL N N 15 120.232 0.100 . 1 . . 421 . A 33 VAL N . 34997 1 375 . 1 . 1 34 34 ALA H H 1 8.850 0.020 . 1 . . 425 . A 34 ALA H . 34997 1 376 . 1 . 1 34 34 ALA HA H 1 5.000 0.020 . 1 . . 426 . A 34 ALA HA . 34997 1 377 . 1 . 1 34 34 ALA HB1 H 1 1.343 0.020 . 1 . . 427 . A 34 ALA HB1 . 34997 1 378 . 1 . 1 34 34 ALA HB2 H 1 1.343 0.020 . 1 . . 427 . A 34 ALA HB2 . 34997 1 379 . 1 . 1 34 34 ALA HB3 H 1 1.343 0.020 . 1 . . 427 . A 34 ALA HB3 . 34997 1 380 . 1 . 1 34 34 ALA C C 13 177.433 0.100 . 1 . . 422 . A 34 ALA C . 34997 1 381 . 1 . 1 34 34 ALA CA C 13 49.406 0.100 . 1 . . 423 . A 34 ALA CA . 34997 1 382 . 1 . 1 34 34 ALA CB C 13 21.044 0.100 . 1 . . 424 . A 34 ALA CB . 34997 1 383 . 1 . 1 34 34 ALA N N 15 127.388 0.100 . 1 . . 428 . A 34 ALA N . 34997 1 384 . 1 . 1 35 35 GLU H H 1 8.024 0.020 . 1 . . 433 . A 35 GLU H . 34997 1 385 . 1 . 1 35 35 GLU HA H 1 3.231 0.020 . 1 . . 434 . A 35 GLU HA . 34997 1 386 . 1 . 1 35 35 GLU HB2 H 1 1.685 0.020 . 2 . . 436 . A 35 GLU HB2 . 34997 1 387 . 1 . 1 35 35 GLU HB3 H 1 1.746 0.020 . 2 . . 435 . A 35 GLU HB3 . 34997 1 388 . 1 . 1 35 35 GLU HG2 H 1 2.068 0.020 . 2 . . 438 . A 35 GLU HG2 . 34997 1 389 . 1 . 1 35 35 GLU HG3 H 1 1.951 0.020 . 2 . . 437 . A 35 GLU HG3 . 34997 1 390 . 1 . 1 35 35 GLU C C 13 176.865 0.100 . 1 . . 429 . A 35 GLU C . 34997 1 391 . 1 . 1 35 35 GLU CA C 13 58.358 0.100 . 1 . . 430 . A 35 GLU CA . 34997 1 392 . 1 . 1 35 35 GLU CB C 13 29.213 0.100 . 1 . . 432 . A 35 GLU CB . 34997 1 393 . 1 . 1 35 35 GLU CG C 13 34.853 0.100 . 1 . . 432 . A 35 GLU CG . 34997 1 394 . 1 . 1 35 35 GLU N N 15 120.530 0.100 . 1 . . 439 . A 35 GLU N . 34997 1 395 . 1 . 1 36 36 ASP H H 1 8.986 0.020 . 1 . . 443 . A 36 ASP H . 34997 1 396 . 1 . 1 36 36 ASP HA H 1 4.223 0.020 . 1 . . 444 . A 36 ASP HA . 34997 1 397 . 1 . 1 36 36 ASP HB2 H 1 3.116 0.020 . 2 . . 446 . A 36 ASP HB2 . 34997 1 398 . 1 . 1 36 36 ASP HB3 H 1 2.839 0.020 . 2 . . 445 . A 36 ASP HB3 . 34997 1 399 . 1 . 1 36 36 ASP C C 13 174.274 0.100 . 1 . . 440 . A 36 ASP C . 34997 1 400 . 1 . 1 36 36 ASP CA C 13 57.473 0.100 . 1 . . 441 . A 36 ASP CA . 34997 1 401 . 1 . 1 36 36 ASP CB C 13 39.279 0.100 . 1 . . 442 . A 36 ASP CB . 34997 1 402 . 1 . 1 36 36 ASP N N 15 119.372 0.100 . 1 . . 447 . A 36 ASP N . 34997 1 403 . 1 . 1 37 37 GLU H H 1 8.252 0.020 . 1 . . 452 . A 37 GLU H . 34997 1 404 . 1 . 1 37 37 GLU HA H 1 4.183 0.020 . 1 . . 453 . A 37 GLU HA . 34997 1 405 . 1 . 1 37 37 GLU HB2 H 1 1.921 0.020 . 2 . . 455 . A 37 GLU HB2 . 34997 1 406 . 1 . 1 37 37 GLU HB3 H 1 2.168 0.020 . 2 . . 454 . A 37 GLU HB3 . 34997 1 407 . 1 . 1 37 37 GLU HG2 H 1 2.358 0.020 . 2 . . 457 . A 37 GLU HG2 . 34997 1 408 . 1 . 1 37 37 GLU HG3 H 1 2.140 0.020 . 2 . . 456 . A 37 GLU HG3 . 34997 1 409 . 1 . 1 37 37 GLU C C 13 176.427 0.100 . 1 . . 448 . A 37 GLU C . 34997 1 410 . 1 . 1 37 37 GLU CA C 13 56.450 0.100 . 1 . . 449 . A 37 GLU CA . 34997 1 411 . 1 . 1 37 37 GLU CB C 13 31.245 0.100 . 1 . . 450 . A 37 GLU CB . 34997 1 412 . 1 . 1 37 37 GLU CG C 13 35.961 0.100 . 1 . . 451 . A 37 GLU CG . 34997 1 413 . 1 . 1 37 37 GLU N N 15 123.430 0.100 . 1 . . 458 . A 37 GLU N . 34997 1 414 . 1 . 1 38 38 VAL H H 1 8.652 0.020 . 1 . . 464 . A 38 VAL H . 34997 1 415 . 1 . 1 38 38 VAL HA H 1 3.531 0.020 . 1 . . 465 . A 38 VAL HA . 34997 1 416 . 1 . 1 38 38 VAL HB H 1 1.926 0.020 . 1 . . 466 . A 38 VAL HB . 34997 1 417 . 1 . 1 38 38 VAL HG11 H 1 0.894 0.020 . 1 . . 467 . A 38 VAL HG11 . 34997 1 418 . 1 . 1 38 38 VAL HG12 H 1 0.894 0.020 . 1 . . 467 . A 38 VAL HG12 . 34997 1 419 . 1 . 1 38 38 VAL HG13 H 1 0.894 0.020 . 1 . . 467 . A 38 VAL HG13 . 34997 1 420 . 1 . 1 38 38 VAL HG21 H 1 0.719 0.020 . 1 . . 468 . A 38 VAL HG21 . 34997 1 421 . 1 . 1 38 38 VAL HG22 H 1 0.719 0.020 . 1 . . 468 . A 38 VAL HG22 . 34997 1 422 . 1 . 1 38 38 VAL HG23 H 1 0.719 0.020 . 1 . . 468 . A 38 VAL HG23 . 34997 1 423 . 1 . 1 38 38 VAL C C 13 175.459 0.100 . 1 . . 459 . A 38 VAL C . 34997 1 424 . 1 . 1 38 38 VAL CA C 13 65.580 0.100 . 1 . . 460 . A 38 VAL CA . 34997 1 425 . 1 . 1 38 38 VAL CB C 13 31.596 0.100 . 1 . . 461 . A 38 VAL CB . 34997 1 426 . 1 . 1 38 38 VAL CG1 C 13 22.927 0.100 . 1 . . 462 . A 38 VAL CG1 . 34997 1 427 . 1 . 1 38 38 VAL CG2 C 13 21.737 0.100 . 1 . . 463 . A 38 VAL CG2 . 34997 1 428 . 1 . 1 38 38 VAL N N 15 126.586 0.100 . 1 . . 469 . A 38 VAL N . 34997 1 429 . 1 . 1 39 39 VAL H H 1 8.504 0.020 . 1 . . 475 . A 39 VAL H . 34997 1 430 . 1 . 1 39 39 VAL HA H 1 3.890 0.020 . 1 . . 476 . A 39 VAL HA . 34997 1 431 . 1 . 1 39 39 VAL HB H 1 1.583 0.020 . 1 . . 477 . A 39 VAL HB . 34997 1 432 . 1 . 1 39 39 VAL HG11 H 1 0.770 0.020 . 1 . . 478 . A 39 VAL HG11 . 34997 1 433 . 1 . 1 39 39 VAL HG12 H 1 0.770 0.020 . 1 . . 478 . A 39 VAL HG12 . 34997 1 434 . 1 . 1 39 39 VAL HG13 H 1 0.770 0.020 . 1 . . 478 . A 39 VAL HG13 . 34997 1 435 . 1 . 1 39 39 VAL HG21 H 1 0.104 0.020 . 1 . . 479 . A 39 VAL HG21 . 34997 1 436 . 1 . 1 39 39 VAL HG22 H 1 0.104 0.020 . 1 . . 479 . A 39 VAL HG22 . 34997 1 437 . 1 . 1 39 39 VAL HG23 H 1 0.104 0.020 . 1 . . 479 . A 39 VAL HG23 . 34997 1 438 . 1 . 1 39 39 VAL C C 13 175.202 0.100 . 1 . . 470 . A 39 VAL C . 34997 1 439 . 1 . 1 39 39 VAL CA C 13 63.250 0.100 . 1 . . 471 . A 39 VAL CA . 34997 1 440 . 1 . 1 39 39 VAL CB C 13 33.525 0.100 . 1 . . 472 . A 39 VAL CB . 34997 1 441 . 1 . 1 39 39 VAL CG1 C 13 22.812 0.100 . 1 . . 473 . A 39 VAL CG1 . 34997 1 442 . 1 . 1 39 39 VAL CG2 C 13 20.974 0.100 . 1 . . 474 . A 39 VAL CG2 . 34997 1 443 . 1 . 1 39 39 VAL N N 15 126.437 0.100 . 1 . . 480 . A 39 VAL N . 34997 1 444 . 1 . 1 40 40 CYS H H 1 7.632 0.020 . 1 . . 484 . A 40 CYS H . 34997 1 445 . 1 . 1 40 40 CYS HA H 1 4.949 0.020 . 1 . . 485 . A 40 CYS HA . 34997 1 446 . 1 . 1 40 40 CYS HB2 H 1 2.987 0.020 . 2 . . 487 . A 40 CYS HB2 . 34997 1 447 . 1 . 1 40 40 CYS HB3 H 1 2.355 0.020 . 2 . . 486 . A 40 CYS HB3 . 34997 1 448 . 1 . 1 40 40 CYS C C 13 171.095 0.100 . 1 . . 481 . A 40 CYS C . 34997 1 449 . 1 . 1 40 40 CYS CA C 13 54.668 0.100 . 1 . . 482 . A 40 CYS CA . 34997 1 450 . 1 . 1 40 40 CYS CB C 13 31.666 0.100 . 1 . . 483 . A 40 CYS CB . 34997 1 451 . 1 . 1 40 40 CYS N N 15 111.988 0.100 . 1 . . 488 . A 40 CYS N . 34997 1 452 . 1 . 1 41 41 GLU H H 1 8.530 0.020 . 1 . . 493 . A 41 GLU H . 34997 1 453 . 1 . 1 41 41 GLU HA H 1 5.186 0.020 . 1 . . 494 . A 41 GLU HA . 34997 1 454 . 1 . 1 41 41 GLU HB2 H 1 1.804 0.020 . 1 . . 495 . A 41 GLU HB2 . 34997 1 455 . 1 . 1 41 41 GLU HB3 H 1 1.804 0.020 . 1 . . 495 . A 41 GLU HB3 . 34997 1 456 . 1 . 1 41 41 GLU HG2 H 1 2.197 0.020 . 2 . . 496 . A 41 GLU HG2 . 34997 1 457 . 1 . 1 41 41 GLU HG3 H 1 2.062 0.020 . 2 . . 496 . A 41 GLU HG3 . 34997 1 458 . 1 . 1 41 41 GLU C C 13 174.338 0.100 . 1 . . 489 . A 41 GLU C . 34997 1 459 . 1 . 1 41 41 GLU CA C 13 54.570 0.100 . 1 . . 490 . A 41 GLU CA . 34997 1 460 . 1 . 1 41 41 GLU CB C 13 31.944 0.100 . 1 . . 491 . A 41 GLU CB . 34997 1 461 . 1 . 1 41 41 GLU CG C 13 35.848 0.100 . 1 . . 492 . A 41 GLU CG . 34997 1 462 . 1 . 1 41 41 GLU N N 15 117.668 0.100 . 1 . . 497 . A 41 GLU N . 34997 1 463 . 1 . 1 42 42 ILE H H 1 9.164 0.020 . 1 . . 504 . A 42 ILE H . 34997 1 464 . 1 . 1 42 42 ILE HA H 1 4.535 0.020 . 1 . . 505 . A 42 ILE HA . 34997 1 465 . 1 . 1 42 42 ILE HB H 1 1.683 0.020 . 1 . . 506 . A 42 ILE HB . 34997 1 466 . 1 . 1 42 42 ILE HG12 H 1 0.953 0.020 . 2 . . 509 . A 42 ILE HG12 . 34997 1 467 . 1 . 1 42 42 ILE HG13 H 1 1.174 0.020 . 2 . . 508 . A 42 ILE HG13 . 34997 1 468 . 1 . 1 42 42 ILE HG21 H 1 0.459 0.020 . 1 . . 510 . A 42 ILE HG21 . 34997 1 469 . 1 . 1 42 42 ILE HG22 H 1 0.459 0.020 . 1 . . 510 . A 42 ILE HG22 . 34997 1 470 . 1 . 1 42 42 ILE HG23 H 1 0.459 0.020 . 1 . . 510 . A 42 ILE HG23 . 34997 1 471 . 1 . 1 42 42 ILE HD11 H 1 0.609 0.020 . 1 . . 507 . A 42 ILE HD11 . 34997 1 472 . 1 . 1 42 42 ILE HD12 H 1 0.609 0.020 . 1 . . 507 . A 42 ILE HD12 . 34997 1 473 . 1 . 1 42 42 ILE HD13 H 1 0.609 0.020 . 1 . . 507 . A 42 ILE HD13 . 34997 1 474 . 1 . 1 42 42 ILE C C 13 175.727 0.100 . 1 . . 498 . A 42 ILE C . 34997 1 475 . 1 . 1 42 42 ILE CA C 13 58.787 0.100 . 1 . . 499 . A 42 ILE CA . 34997 1 476 . 1 . 1 42 42 ILE CB C 13 37.950 0.100 . 1 . . 500 . A 42 ILE CB . 34997 1 477 . 1 . 1 42 42 ILE CG1 C 13 26.845 0.100 . 1 . . 502 . A 42 ILE CG1 . 34997 1 478 . 1 . 1 42 42 ILE CG2 C 13 17.645 0.100 . 1 . . 503 . A 42 ILE CG2 . 34997 1 479 . 1 . 1 42 42 ILE CD1 C 13 13.206 0.100 . 1 . . 501 . A 42 ILE CD1 . 34997 1 480 . 1 . 1 42 42 ILE N N 15 121.518 0.100 . 1 . . 511 . A 42 ILE N . 34997 1 481 . 1 . 1 43 43 GLU H H 1 9.301 0.020 . 1 . . 516 . A 43 GLU H . 34997 1 482 . 1 . 1 43 43 GLU HA H 1 4.752 0.020 . 1 . . 517 . A 43 GLU HA . 34997 1 483 . 1 . 1 43 43 GLU HB2 H 1 2.009 0.020 . 2 . . 519 . A 43 GLU HB2 . 34997 1 484 . 1 . 1 43 43 GLU HB3 H 1 1.989 0.020 . 2 . . 518 . A 43 GLU HB3 . 34997 1 485 . 1 . 1 43 43 GLU HG2 H 1 2.243 0.020 . 2 . . 521 . A 43 GLU HG2 . 34997 1 486 . 1 . 1 43 43 GLU HG3 H 1 2.183 0.020 . 2 . . 520 . A 43 GLU HG3 . 34997 1 487 . 1 . 1 43 43 GLU C C 13 176.511 0.100 . 1 . . 512 . A 43 GLU C . 34997 1 488 . 1 . 1 43 43 GLU CA C 13 55.409 0.100 . 1 . . 513 . A 43 GLU CA . 34997 1 489 . 1 . 1 43 43 GLU CB C 13 30.374 0.100 . 1 . . 514 . A 43 GLU CB . 34997 1 490 . 1 . 1 43 43 GLU CG C 13 34.814 0.100 . 1 . . 515 . A 43 GLU CG . 34997 1 491 . 1 . 1 43 43 GLU N N 15 127.355 0.100 . 1 . . 522 . A 43 GLU N . 34997 1 492 . 1 . 1 44 44 THR H H 1 8.533 0.020 . 1 . . 527 . A 44 THR H . 34997 1 493 . 1 . 1 44 44 THR HA H 1 4.842 0.020 . 1 . . 528 . A 44 THR HA . 34997 1 494 . 1 . 1 44 44 THR HB H 1 4.366 0.020 . 1 . . 529 . A 44 THR HB . 34997 1 495 . 1 . 1 44 44 THR HG21 H 1 0.918 0.020 . 1 . . 530 . A 44 THR HG21 . 34997 1 496 . 1 . 1 44 44 THR HG22 H 1 0.918 0.020 . 1 . . 530 . A 44 THR HG22 . 34997 1 497 . 1 . 1 44 44 THR HG23 H 1 0.918 0.020 . 1 . . 530 . A 44 THR HG23 . 34997 1 498 . 1 . 1 44 44 THR C C 13 174.001 0.100 . 1 . . 523 . A 44 THR C . 34997 1 499 . 1 . 1 44 44 THR CA C 13 59.401 0.100 . 1 . . 524 . A 44 THR CA . 34997 1 500 . 1 . 1 44 44 THR CB C 13 71.113 0.100 . 1 . . 525 . A 44 THR CB . 34997 1 501 . 1 . 1 44 44 THR CG2 C 13 21.109 0.100 . 1 . . 526 . A 44 THR CG2 . 34997 1 502 . 1 . 1 44 44 THR N N 15 116.014 0.100 . 1 . . 531 . A 44 THR N . 34997 1 503 . 1 . 1 45 45 ASP H H 1 8.722 0.020 . 1 . . 535 . A 45 ASP H . 34997 1 504 . 1 . 1 45 45 ASP HA H 1 4.318 0.020 . 1 . . 536 . A 45 ASP HA . 34997 1 505 . 1 . 1 45 45 ASP HB2 H 1 2.739 0.020 . 2 . . 538 . A 45 ASP HB2 . 34997 1 506 . 1 . 1 45 45 ASP HB3 H 1 2.673 0.020 . 2 . . 537 . A 45 ASP HB3 . 34997 1 507 . 1 . 1 45 45 ASP C C 13 176.554 0.100 . 1 . . 532 . A 45 ASP C . 34997 1 508 . 1 . 1 45 45 ASP CA C 13 56.239 0.100 . 1 . . 533 . A 45 ASP CA . 34997 1 509 . 1 . 1 45 45 ASP CB C 13 40.011 0.100 . 1 . . 534 . A 45 ASP CB . 34997 1 510 . 1 . 1 45 45 ASP N N 15 118.370 0.100 . 1 . . 539 . A 45 ASP N . 34997 1 511 . 1 . 1 46 46 LYS H H 1 8.020 0.020 . 1 . . 546 . A 46 LYS H . 34997 1 512 . 1 . 1 46 46 LYS HA H 1 4.448 0.020 . 1 . . 547 . A 46 LYS HA . 34997 1 513 . 1 . 1 46 46 LYS HB2 H 1 1.871 0.020 . 2 . . 549 . A 46 LYS HB2 . 34997 1 514 . 1 . 1 46 46 LYS HB3 H 1 1.648 0.020 . 2 . . 548 . A 46 LYS HB3 . 34997 1 515 . 1 . 1 46 46 LYS HG2 H 1 1.353 0.020 . 2 . . 554 . A 46 LYS HG2 . 34997 1 516 . 1 . 1 46 46 LYS HG3 H 1 1.299 0.020 . 2 . . 553 . A 46 LYS HG3 . 34997 1 517 . 1 . 1 46 46 LYS HD2 H 1 1.621 0.020 . 2 . . 551 . A 46 LYS HD2 . 34997 1 518 . 1 . 1 46 46 LYS HD3 H 1 1.561 0.020 . 2 . . 550 . A 46 LYS HD3 . 34997 1 519 . 1 . 1 46 46 LYS HE2 H 1 2.929 0.020 . 1 . . 552 . A 46 LYS HE2 . 34997 1 520 . 1 . 1 46 46 LYS HE3 H 1 2.929 0.020 . 1 . . 552 . A 46 LYS HE3 . 34997 1 521 . 1 . 1 46 46 LYS C C 13 175.892 0.100 . 1 . . 540 . A 46 LYS C . 34997 1 522 . 1 . 1 46 46 LYS CA C 13 56.140 0.100 . 1 . . 541 . A 46 LYS CA . 34997 1 523 . 1 . 1 46 46 LYS CB C 13 34.191 0.100 . 1 . . 542 . A 46 LYS CB . 34997 1 524 . 1 . 1 46 46 LYS CG C 13 24.689 0.100 . 1 . . 545 . A 46 LYS CG . 34997 1 525 . 1 . 1 46 46 LYS CD C 13 28.697 0.100 . 1 . . 543 . A 46 LYS CD . 34997 1 526 . 1 . 1 46 46 LYS CE C 13 42.059 0.100 . 1 . . 544 . A 46 LYS CE . 34997 1 527 . 1 . 1 46 46 LYS N N 15 116.855 0.100 . 1 . . 555 . A 46 LYS N . 34997 1 528 . 1 . 1 47 47 THR H H 1 7.553 0.020 . 1 . . 560 . A 47 THR H . 34997 1 529 . 1 . 1 47 47 THR HA H 1 4.586 0.020 . 1 . . 561 . A 47 THR HA . 34997 1 530 . 1 . 1 47 47 THR HB H 1 4.108 0.020 . 1 . . 562 . A 47 THR HB . 34997 1 531 . 1 . 1 47 47 THR HG21 H 1 1.058 0.020 . 1 . . 563 . A 47 THR HG21 . 34997 1 532 . 1 . 1 47 47 THR HG22 H 1 1.058 0.020 . 1 . . 563 . A 47 THR HG22 . 34997 1 533 . 1 . 1 47 47 THR HG23 H 1 1.058 0.020 . 1 . . 563 . A 47 THR HG23 . 34997 1 534 . 1 . 1 47 47 THR C C 13 172.992 0.100 . 1 . . 556 . A 47 THR C . 34997 1 535 . 1 . 1 47 47 THR CA C 13 60.592 0.100 . 1 . . 557 . A 47 THR CA . 34997 1 536 . 1 . 1 47 47 THR CB C 13 70.707 0.100 . 1 . . 558 . A 47 THR CB . 34997 1 537 . 1 . 1 47 47 THR CG2 C 13 20.699 0.100 . 1 . . 559 . A 47 THR CG2 . 34997 1 538 . 1 . 1 47 47 THR N N 15 113.111 0.100 . 1 . . 564 . A 47 THR N . 34997 1 539 . 1 . 1 48 48 SER H H 1 8.388 0.020 . 1 . . 568 . A 48 SER H . 34997 1 540 . 1 . 1 48 48 SER HA H 1 5.167 0.020 . 1 . . 569 . A 48 SER HA . 34997 1 541 . 1 . 1 48 48 SER HB2 H 1 3.655 0.020 . 2 . . 571 . A 48 SER HB2 . 34997 1 542 . 1 . 1 48 48 SER HB3 H 1 3.634 0.020 . 2 . . 570 . A 48 SER HB3 . 34997 1 543 . 1 . 1 48 48 SER C C 13 173.785 0.100 . 1 . . 565 . A 48 SER C . 34997 1 544 . 1 . 1 48 48 SER CA C 13 57.367 0.100 . 1 . . 566 . A 48 SER CA . 34997 1 545 . 1 . 1 48 48 SER CB C 13 64.410 0.100 . 1 . . 567 . A 48 SER CB . 34997 1 546 . 1 . 1 48 48 SER N N 15 117.892 0.100 . 1 . . 572 . A 48 SER N . 34997 1 547 . 1 . 1 49 49 VAL H H 1 8.986 0.020 . 1 . . 578 . A 49 VAL H . 34997 1 548 . 1 . 1 49 49 VAL HA H 1 4.241 0.020 . 1 . . 579 . A 49 VAL HA . 34997 1 549 . 1 . 1 49 49 VAL HB H 1 1.895 0.020 . 1 . . 580 . A 49 VAL HB . 34997 1 550 . 1 . 1 49 49 VAL HG11 H 1 0.858 0.020 . 1 . . 581 . A 49 VAL HG11 . 34997 1 551 . 1 . 1 49 49 VAL HG12 H 1 0.858 0.020 . 1 . . 581 . A 49 VAL HG12 . 34997 1 552 . 1 . 1 49 49 VAL HG13 H 1 0.858 0.020 . 1 . . 581 . A 49 VAL HG13 . 34997 1 553 . 1 . 1 49 49 VAL HG21 H 1 0.799 0.020 . 1 . . 582 . A 49 VAL HG21 . 34997 1 554 . 1 . 1 49 49 VAL HG22 H 1 0.799 0.020 . 1 . . 582 . A 49 VAL HG22 . 34997 1 555 . 1 . 1 49 49 VAL HG23 H 1 0.799 0.020 . 1 . . 582 . A 49 VAL HG23 . 34997 1 556 . 1 . 1 49 49 VAL C C 13 175.516 0.100 . 1 . . 573 . A 49 VAL C . 34997 1 557 . 1 . 1 49 49 VAL CA C 13 61.097 0.100 . 1 . . 574 . A 49 VAL CA . 34997 1 558 . 1 . 1 49 49 VAL CB C 13 34.669 0.100 . 1 . . 575 . A 49 VAL CB . 34997 1 559 . 1 . 1 49 49 VAL CG1 C 13 20.614 0.100 . 1 . . 576 . A 49 VAL CG1 . 34997 1 560 . 1 . 1 49 49 VAL CG2 C 13 20.441 0.100 . 1 . . 577 . A 49 VAL CG2 . 34997 1 561 . 1 . 1 49 49 VAL N N 15 125.162 0.100 . 1 . . 583 . A 49 VAL N . 34997 1 562 . 1 . 1 50 50 GLN H H 1 8.753 0.020 . 1 . . 588 . A 50 GLN H . 34997 1 563 . 1 . 1 50 50 GLN HA H 1 4.483 0.020 . 1 . . 589 . A 50 GLN HA . 34997 1 564 . 1 . 1 50 50 GLN HB2 H 1 2.065 0.020 . 2 . . 591 . A 50 GLN HB2 . 34997 1 565 . 1 . 1 50 50 GLN HB3 H 1 1.845 0.020 . 2 . . 590 . A 50 GLN HB3 . 34997 1 566 . 1 . 1 50 50 GLN HG2 H 1 2.471 0.020 . 2 . . 595 . A 50 GLN HG2 . 34997 1 567 . 1 . 1 50 50 GLN HG3 H 1 2.306 0.020 . 2 . . 594 . A 50 GLN HG3 . 34997 1 568 . 1 . 1 50 50 GLN HE21 H 1 6.811 0.020 . 2 . . 592 . A 50 GLN HE21 . 34997 1 569 . 1 . 1 50 50 GLN HE22 H 1 7.576 0.020 . 2 . . 593 . A 50 GLN HE22 . 34997 1 570 . 1 . 1 50 50 GLN C C 13 175.590 0.100 . 1 . . 584 . A 50 GLN C . 34997 1 571 . 1 . 1 50 50 GLN CA C 13 55.846 0.100 . 1 . . 585 . A 50 GLN CA . 34997 1 572 . 1 . 1 50 50 GLN CB C 13 29.945 0.100 . 1 . . 586 . A 50 GLN CB . 34997 1 573 . 1 . 1 50 50 GLN CG C 13 34.273 0.100 . 1 . . 587 . A 50 GLN CG . 34997 1 574 . 1 . 1 50 50 GLN N N 15 124.857 0.100 . 1 . . 596 . A 50 GLN N . 34997 1 575 . 1 . 1 50 50 GLN NE2 N 15 112.846 0.100 . 1 . . 597 . A 50 GLN NE2 . 34997 1 576 . 1 . 1 51 51 VAL H H 1 8.566 0.020 . 1 . . 603 . A 51 VAL H . 34997 1 577 . 1 . 1 51 51 VAL HA H 1 4.553 0.020 . 1 . . 604 . A 51 VAL HA . 34997 1 578 . 1 . 1 51 51 VAL HB H 1 2.522 0.020 . 1 . . 605 . A 51 VAL HB . 34997 1 579 . 1 . 1 51 51 VAL HG11 H 1 0.611 0.020 . 1 . . 606 . A 51 VAL HG11 . 34997 1 580 . 1 . 1 51 51 VAL HG12 H 1 0.611 0.020 . 1 . . 606 . A 51 VAL HG12 . 34997 1 581 . 1 . 1 51 51 VAL HG13 H 1 0.611 0.020 . 1 . . 606 . A 51 VAL HG13 . 34997 1 582 . 1 . 1 51 51 VAL HG21 H 1 0.891 0.020 . 1 . . 607 . A 51 VAL HG21 . 34997 1 583 . 1 . 1 51 51 VAL HG22 H 1 0.891 0.020 . 1 . . 607 . A 51 VAL HG22 . 34997 1 584 . 1 . 1 51 51 VAL HG23 H 1 0.891 0.020 . 1 . . 607 . A 51 VAL HG23 . 34997 1 585 . 1 . 1 51 51 VAL C C 13 173.543 0.100 . 1 . . 598 . A 51 VAL C . 34997 1 586 . 1 . 1 51 51 VAL CA C 13 59.634 0.100 . 1 . . 599 . A 51 VAL CA . 34997 1 587 . 1 . 1 51 51 VAL CB C 13 32.004 0.100 . 1 . . 600 . A 51 VAL CB . 34997 1 588 . 1 . 1 51 51 VAL CG1 C 13 20.793 0.100 . 1 . . 601 . A 51 VAL CG1 . 34997 1 589 . 1 . 1 51 51 VAL CG2 C 13 20.744 0.100 . 1 . . 602 . A 51 VAL CG2 . 34997 1 590 . 1 . 1 51 51 VAL N N 15 122.715 0.100 . 1 . . 608 . A 51 VAL N . 34997 1 591 . 1 . 1 52 52 PRO HA H 1 5.140 0.020 . 1 . . 613 . A 52 PRO HA . 34997 1 592 . 1 . 1 52 52 PRO HB2 H 1 1.951 0.020 . 2 . . 615 . A 52 PRO HB2 . 34997 1 593 . 1 . 1 52 52 PRO HB3 H 1 1.696 0.020 . 2 . . 614 . A 52 PRO HB3 . 34997 1 594 . 1 . 1 52 52 PRO HG2 H 1 1.952 0.020 . 1 . . 617 . A 52 PRO HG2 . 34997 1 595 . 1 . 1 52 52 PRO HG3 H 1 1.952 0.020 . 1 . . 617 . A 52 PRO HG3 . 34997 1 596 . 1 . 1 52 52 PRO HD2 H 1 3.825 0.020 . 1 . . 616 . A 52 PRO HD2 . 34997 1 597 . 1 . 1 52 52 PRO HD3 H 1 3.825 0.020 . 1 . . 616 . A 52 PRO HD3 . 34997 1 598 . 1 . 1 52 52 PRO CA C 13 60.095 0.100 . 1 . . 609 . A 52 PRO CA . 34997 1 599 . 1 . 1 52 52 PRO CB C 13 32.947 0.100 . 1 . . 610 . A 52 PRO CB . 34997 1 600 . 1 . 1 52 52 PRO CG C 13 26.092 0.100 . 1 . . 612 . A 52 PRO CG . 34997 1 601 . 1 . 1 52 52 PRO CD C 13 51.412 0.100 . 1 . . 611 . A 52 PRO CD . 34997 1 602 . 1 . 1 53 53 SER H H 1 8.796 0.020 . 1 . . 620 . A 53 SER H . 34997 1 603 . 1 . 1 53 53 SER HA H 1 4.774 0.020 . 1 . . 621 . A 53 SER HA . 34997 1 604 . 1 . 1 53 53 SER HB2 H 1 3.721 0.020 . 2 . . 623 . A 53 SER HB2 . 34997 1 605 . 1 . 1 53 53 SER HB3 H 1 4.300 0.020 . 2 . . 622 . A 53 SER HB3 . 34997 1 606 . 1 . 1 53 53 SER CA C 13 55.429 0.100 . 1 . . 618 . A 53 SER CA . 34997 1 607 . 1 . 1 53 53 SER CB C 13 64.133 0.100 . 1 . . 619 . A 53 SER CB . 34997 1 608 . 1 . 1 53 53 SER N N 15 112.524 0.100 . 1 . . 624 . A 53 SER N . 34997 1 609 . 1 . 1 54 54 PRO HA H 1 4.705 0.020 . 1 . . 629 . A 54 PRO HA . 34997 1 610 . 1 . 1 54 54 PRO HB2 H 1 2.043 0.020 . 2 . . 631 . A 54 PRO HB2 . 34997 1 611 . 1 . 1 54 54 PRO HB3 H 1 2.223 0.020 . 2 . . 630 . A 54 PRO HB3 . 34997 1 612 . 1 . 1 54 54 PRO HG2 H 1 1.592 0.020 . 2 . . 635 . A 54 PRO HG2 . 34997 1 613 . 1 . 1 54 54 PRO HG3 H 1 2.039 0.020 . 2 . . 634 . A 54 PRO HG3 . 34997 1 614 . 1 . 1 54 54 PRO HD2 H 1 3.962 0.020 . 2 . . 633 . A 54 PRO HD2 . 34997 1 615 . 1 . 1 54 54 PRO HD3 H 1 3.858 0.020 . 2 . . 632 . A 54 PRO HD3 . 34997 1 616 . 1 . 1 54 54 PRO C C 13 174.935 0.100 . 1 . . 624 . A 54 PRO C . 34997 1 617 . 1 . 1 54 54 PRO CA C 13 63.294 0.100 . 1 . . 625 . A 54 PRO CA . 34997 1 618 . 1 . 1 54 54 PRO CB C 13 32.041 0.100 . 1 . . 626 . A 54 PRO CB . 34997 1 619 . 1 . 1 54 54 PRO CG C 13 26.387 0.100 . 1 . . 628 . A 54 PRO CG . 34997 1 620 . 1 . 1 54 54 PRO CD C 13 50.618 0.100 . 1 . . 627 . A 54 PRO CD . 34997 1 621 . 1 . 1 55 55 ALA H H 1 7.505 0.020 . 1 . . 639 . A 55 ALA H . 34997 1 622 . 1 . 1 55 55 ALA HA H 1 4.522 0.020 . 1 . . 640 . A 55 ALA HA . 34997 1 623 . 1 . 1 55 55 ALA HB1 H 1 1.222 0.020 . 1 . . 641 . A 55 ALA HB1 . 34997 1 624 . 1 . 1 55 55 ALA HB2 H 1 1.222 0.020 . 1 . . 641 . A 55 ALA HB2 . 34997 1 625 . 1 . 1 55 55 ALA HB3 H 1 1.222 0.020 . 1 . . 641 . A 55 ALA HB3 . 34997 1 626 . 1 . 1 55 55 ALA C C 13 174.732 0.100 . 1 . . 636 . A 55 ALA C . 34997 1 627 . 1 . 1 55 55 ALA CA C 13 50.908 0.100 . 1 . . 637 . A 55 ALA CA . 34997 1 628 . 1 . 1 55 55 ALA CB C 13 22.835 0.100 . 1 . . 638 . A 55 ALA CB . 34997 1 629 . 1 . 1 55 55 ALA N N 15 118.436 0.100 . 1 . . 642 . A 55 ALA N . 34997 1 630 . 1 . 1 56 56 ASN H H 1 8.771 0.020 . 1 . . 646 . A 56 ASN H . 34997 1 631 . 1 . 1 56 56 ASN HA H 1 5.119 0.020 . 1 . . 647 . A 56 ASN HA . 34997 1 632 . 1 . 1 56 56 ASN HB2 H 1 2.809 0.020 . 2 . . 649 . A 56 ASN HB2 . 34997 1 633 . 1 . 1 56 56 ASN HB3 H 1 2.774 0.020 . 2 . . 648 . A 56 ASN HB3 . 34997 1 634 . 1 . 1 56 56 ASN HD21 H 1 7.739 0.020 . 2 . . 650 . A 56 ASN HD21 . 34997 1 635 . 1 . 1 56 56 ASN HD22 H 1 7.004 0.020 . 2 . . 651 . A 56 ASN HD22 . 34997 1 636 . 1 . 1 56 56 ASN C C 13 176.249 0.100 . 1 . . 643 . A 56 ASN C . 34997 1 637 . 1 . 1 56 56 ASN CA C 13 52.550 0.100 . 1 . . 644 . A 56 ASN CA . 34997 1 638 . 1 . 1 56 56 ASN CB C 13 38.644 0.100 . 1 . . 645 . A 56 ASN CB . 34997 1 639 . 1 . 1 56 56 ASN N N 15 119.490 0.100 . 1 . . 652 . A 56 ASN N . 34997 1 640 . 1 . 1 56 56 ASN ND2 N 15 114.726 0.100 . 1 . . 653 . A 56 ASN ND2 . 34997 1 641 . 1 . 1 57 57 GLY H H 1 8.847 0.020 . 1 . . 656 . A 57 GLY H . 34997 1 642 . 1 . 1 57 57 GLY HA2 H 1 4.428 0.020 . 2 . . 658 . A 57 GLY HA2 . 34997 1 643 . 1 . 1 57 57 GLY HA3 H 1 4.303 0.020 . 2 . . 657 . A 57 GLY HA3 . 34997 1 644 . 1 . 1 57 57 GLY C C 13 170.679 0.100 . 1 . . 654 . A 57 GLY C . 34997 1 645 . 1 . 1 57 57 GLY CA C 13 47.208 0.100 . 1 . . 655 . A 57 GLY CA . 34997 1 646 . 1 . 1 57 57 GLY N N 15 111.075 0.100 . 1 . . 659 . A 57 GLY N . 34997 1 647 . 1 . 1 58 58 VAL H H 1 8.619 0.020 . 1 . . 665 . A 58 VAL H . 34997 1 648 . 1 . 1 58 58 VAL HA H 1 4.888 0.020 . 1 . . 666 . A 58 VAL HA . 34997 1 649 . 1 . 1 58 58 VAL HB H 1 1.714 0.020 . 1 . . 667 . A 58 VAL HB . 34997 1 650 . 1 . 1 58 58 VAL HG11 H 1 0.842 0.020 . 1 . . 668 . A 58 VAL HG11 . 34997 1 651 . 1 . 1 58 58 VAL HG12 H 1 0.842 0.020 . 1 . . 668 . A 58 VAL HG12 . 34997 1 652 . 1 . 1 58 58 VAL HG13 H 1 0.842 0.020 . 1 . . 668 . A 58 VAL HG13 . 34997 1 653 . 1 . 1 58 58 VAL HG21 H 1 0.703 0.020 . 1 . . 669 . A 58 VAL HG21 . 34997 1 654 . 1 . 1 58 58 VAL HG22 H 1 0.703 0.020 . 1 . . 669 . A 58 VAL HG22 . 34997 1 655 . 1 . 1 58 58 VAL HG23 H 1 0.703 0.020 . 1 . . 669 . A 58 VAL HG23 . 34997 1 656 . 1 . 1 58 58 VAL C C 13 176.335 0.100 . 1 . . 660 . A 58 VAL C . 34997 1 657 . 1 . 1 58 58 VAL CA C 13 59.799 0.100 . 1 . . 661 . A 58 VAL CA . 34997 1 658 . 1 . 1 58 58 VAL CB C 13 35.667 0.100 . 1 . . 662 . A 58 VAL CB . 34997 1 659 . 1 . 1 58 58 VAL CG1 C 13 21.468 0.100 . 1 . . 663 . A 58 VAL CG1 . 34997 1 660 . 1 . 1 58 58 VAL CG2 C 13 20.768 0.100 . 1 . . 664 . A 58 VAL CG2 . 34997 1 661 . 1 . 1 58 58 VAL N N 15 119.979 0.100 . 1 . . 670 . A 58 VAL N . 34997 1 662 . 1 . 1 59 59 ILE H H 1 8.515 0.020 . 1 . . 677 . A 59 ILE H . 34997 1 663 . 1 . 1 59 59 ILE HA H 1 4.051 0.020 . 1 . . 678 . A 59 ILE HA . 34997 1 664 . 1 . 1 59 59 ILE HB H 1 2.102 0.020 . 1 . . 679 . A 59 ILE HB . 34997 1 665 . 1 . 1 59 59 ILE HG12 H 1 1.258 0.020 . 2 . . 682 . A 59 ILE HG12 . 34997 1 666 . 1 . 1 59 59 ILE HG13 H 1 1.169 0.020 . 2 . . 681 . A 59 ILE HG13 . 34997 1 667 . 1 . 1 59 59 ILE HG21 H 1 0.523 0.020 . 1 . . 683 . A 59 ILE HG21 . 34997 1 668 . 1 . 1 59 59 ILE HG22 H 1 0.523 0.020 . 1 . . 683 . A 59 ILE HG22 . 34997 1 669 . 1 . 1 59 59 ILE HG23 H 1 0.523 0.020 . 1 . . 683 . A 59 ILE HG23 . 34997 1 670 . 1 . 1 59 59 ILE HD11 H 1 0.417 0.020 . 1 . . 680 . A 59 ILE HD11 . 34997 1 671 . 1 . 1 59 59 ILE HD12 H 1 0.417 0.020 . 1 . . 680 . A 59 ILE HD12 . 34997 1 672 . 1 . 1 59 59 ILE HD13 H 1 0.417 0.020 . 1 . . 680 . A 59 ILE HD13 . 34997 1 673 . 1 . 1 59 59 ILE C C 13 175.571 0.100 . 1 . . 671 . A 59 ILE C . 34997 1 674 . 1 . 1 59 59 ILE CA C 13 61.327 0.100 . 1 . . 672 . A 59 ILE CA . 34997 1 675 . 1 . 1 59 59 ILE CB C 13 35.903 0.100 . 1 . . 673 . A 59 ILE CB . 34997 1 676 . 1 . 1 59 59 ILE CG1 C 13 26.741 0.100 . 1 . . 675 . A 59 ILE CG1 . 34997 1 677 . 1 . 1 59 59 ILE CG2 C 13 17.615 0.100 . 1 . . 676 . A 59 ILE CG2 . 34997 1 678 . 1 . 1 59 59 ILE CD1 C 13 12.163 0.100 . 1 . . 674 . A 59 ILE CD1 . 34997 1 679 . 1 . 1 59 59 ILE N N 15 125.712 0.100 . 1 . . 684 . A 59 ILE N . 34997 1 680 . 1 . 1 60 60 GLU H H 1 8.797 0.020 . 1 . . 689 . A 60 GLU H . 34997 1 681 . 1 . 1 60 60 GLU HA H 1 4.415 0.020 . 1 . . 690 . A 60 GLU HA . 34997 1 682 . 1 . 1 60 60 GLU HB2 H 1 1.941 0.020 . 2 . . 692 . A 60 GLU HB2 . 34997 1 683 . 1 . 1 60 60 GLU HB3 H 1 1.699 0.020 . 2 . . 691 . A 60 GLU HB3 . 34997 1 684 . 1 . 1 60 60 GLU HG2 H 1 2.131 0.020 . 1 . . 693 . A 60 GLU HG2 . 34997 1 685 . 1 . 1 60 60 GLU HG3 H 1 2.131 0.020 . 1 . . 693 . A 60 GLU HG3 . 34997 1 686 . 1 . 1 60 60 GLU C C 13 175.705 0.100 . 1 . . 685 . A 60 GLU C . 34997 1 687 . 1 . 1 60 60 GLU CA C 13 57.255 0.100 . 1 . . 686 . A 60 GLU CA . 34997 1 688 . 1 . 1 60 60 GLU CB C 13 30.685 0.100 . 1 . . 687 . A 60 GLU CB . 34997 1 689 . 1 . 1 60 60 GLU CG C 13 35.447 0.100 . 1 . . 688 . A 60 GLU CG . 34997 1 690 . 1 . 1 60 60 GLU N N 15 132.432 0.100 . 1 . . 694 . A 60 GLU N . 34997 1 691 . 1 . 1 61 61 ALA H H 1 7.473 0.020 . 1 . . 698 . A 61 ALA H . 34997 1 692 . 1 . 1 61 61 ALA HA H 1 4.284 0.020 . 1 . . 699 . A 61 ALA HA . 34997 1 693 . 1 . 1 61 61 ALA HB1 H 1 1.192 0.020 . 1 . . 700 . A 61 ALA HB1 . 34997 1 694 . 1 . 1 61 61 ALA HB2 H 1 1.192 0.020 . 1 . . 700 . A 61 ALA HB2 . 34997 1 695 . 1 . 1 61 61 ALA HB3 H 1 1.192 0.020 . 1 . . 700 . A 61 ALA HB3 . 34997 1 696 . 1 . 1 61 61 ALA C C 13 174.938 0.100 . 1 . . 695 . A 61 ALA C . 34997 1 697 . 1 . 1 61 61 ALA CA C 13 52.454 0.100 . 1 . . 696 . A 61 ALA CA . 34997 1 698 . 1 . 1 61 61 ALA CB C 13 21.856 0.100 . 1 . . 697 . A 61 ALA CB . 34997 1 699 . 1 . 1 61 61 ALA N N 15 118.167 0.100 . 1 . . 701 . A 61 ALA N . 34997 1 700 . 1 . 1 62 62 LEU H H 1 8.283 0.020 . 1 . . 708 . A 62 LEU H . 34997 1 701 . 1 . 1 62 62 LEU HA H 1 4.292 0.020 . 1 . . 709 . A 62 LEU HA . 34997 1 702 . 1 . 1 62 62 LEU HB2 H 1 1.347 0.020 . 2 . . 711 . A 62 LEU HB2 . 34997 1 703 . 1 . 1 62 62 LEU HB3 H 1 0.552 0.020 . 2 . . 710 . A 62 LEU HB3 . 34997 1 704 . 1 . 1 62 62 LEU HG H 1 0.826 0.020 . 1 . . 714 . A 62 LEU HG . 34997 1 705 . 1 . 1 62 62 LEU HD11 H 1 -0.145 0.020 . 1 . . 712 . A 62 LEU HD11 . 34997 1 706 . 1 . 1 62 62 LEU HD12 H 1 -0.145 0.020 . 1 . . 712 . A 62 LEU HD12 . 34997 1 707 . 1 . 1 62 62 LEU HD13 H 1 -0.145 0.020 . 1 . . 712 . A 62 LEU HD13 . 34997 1 708 . 1 . 1 62 62 LEU HD21 H 1 -0.709 0.020 . 1 . . 713 . A 62 LEU HD21 . 34997 1 709 . 1 . 1 62 62 LEU HD22 H 1 -0.709 0.020 . 1 . . 713 . A 62 LEU HD22 . 34997 1 710 . 1 . 1 62 62 LEU HD23 H 1 -0.709 0.020 . 1 . . 713 . A 62 LEU HD23 . 34997 1 711 . 1 . 1 62 62 LEU C C 13 177.532 0.100 . 1 . . 702 . A 62 LEU C . 34997 1 712 . 1 . 1 62 62 LEU CA C 13 53.893 0.100 . 1 . . 703 . A 62 LEU CA . 34997 1 713 . 1 . 1 62 62 LEU CB C 13 40.325 0.100 . 1 . . 704 . A 62 LEU CB . 34997 1 714 . 1 . 1 62 62 LEU CG C 13 25.490 0.100 . 1 . . 707 . A 62 LEU CG . 34997 1 715 . 1 . 1 62 62 LEU CD1 C 13 23.842 0.100 . 1 . . 705 . A 62 LEU CD1 . 34997 1 716 . 1 . 1 62 62 LEU CD2 C 13 20.840 0.100 . 1 . . 706 . A 62 LEU CD2 . 34997 1 717 . 1 . 1 62 62 LEU N N 15 121.117 0.100 . 1 . . 715 . A 62 LEU N . 34997 1 718 . 1 . 1 63 63 LEU H H 1 8.766 0.020 . 1 . . 722 . A 63 LEU H . 34997 1 719 . 1 . 1 63 63 LEU HA H 1 4.310 0.020 . 1 . . 723 . A 63 LEU HA . 34997 1 720 . 1 . 1 63 63 LEU HB2 H 1 1.572 0.020 . 1 . . 724 . A 63 LEU HB2 . 34997 1 721 . 1 . 1 63 63 LEU HB3 H 1 1.572 0.020 . 1 . . 724 . A 63 LEU HB3 . 34997 1 722 . 1 . 1 63 63 LEU HG H 1 1.275 0.020 . 1 . . 727 . A 63 LEU HG . 34997 1 723 . 1 . 1 63 63 LEU HD11 H 1 0.663 0.020 . 1 . . 725 . A 63 LEU HD11 . 34997 1 724 . 1 . 1 63 63 LEU HD12 H 1 0.663 0.020 . 1 . . 725 . A 63 LEU HD12 . 34997 1 725 . 1 . 1 63 63 LEU HD13 H 1 0.663 0.020 . 1 . . 725 . A 63 LEU HD13 . 34997 1 726 . 1 . 1 63 63 LEU HD21 H 1 0.670 0.020 . 1 . . 726 . A 63 LEU HD21 . 34997 1 727 . 1 . 1 63 63 LEU HD22 H 1 0.670 0.020 . 1 . . 726 . A 63 LEU HD22 . 34997 1 728 . 1 . 1 63 63 LEU HD23 H 1 0.670 0.020 . 1 . . 726 . A 63 LEU HD23 . 34997 1 729 . 1 . 1 63 63 LEU C C 13 176.062 0.100 . 1 . . 716 . A 63 LEU C . 34997 1 730 . 1 . 1 63 63 LEU CA C 13 55.698 0.100 . 1 . . 717 . A 63 LEU CA . 34997 1 731 . 1 . 1 63 63 LEU CB C 13 40.833 0.100 . 1 . . 718 . A 63 LEU CB . 34997 1 732 . 1 . 1 63 63 LEU CG C 13 27.640 0.100 . 1 . . 721 . A 63 LEU CG . 34997 1 733 . 1 . 1 63 63 LEU CD1 C 13 25.797 0.100 . 1 . . 719 . A 63 LEU CD1 . 34997 1 734 . 1 . 1 63 63 LEU CD2 C 13 21.973 0.100 . 1 . . 720 . A 63 LEU CD2 . 34997 1 735 . 1 . 1 63 63 LEU N N 15 121.025 0.100 . 1 . . 728 . A 63 LEU N . 34997 1 736 . 1 . 1 64 64 VAL H H 1 7.396 0.020 . 1 . . 734 . A 64 VAL H . 34997 1 737 . 1 . 1 64 64 VAL HA H 1 4.696 0.020 . 1 . . 735 . A 64 VAL HA . 34997 1 738 . 1 . 1 64 64 VAL HB H 1 2.092 0.020 . 1 . . 736 . A 64 VAL HB . 34997 1 739 . 1 . 1 64 64 VAL HG11 H 1 1.138 0.020 . 1 . . 737 . A 64 VAL HG11 . 34997 1 740 . 1 . 1 64 64 VAL HG12 H 1 1.138 0.020 . 1 . . 737 . A 64 VAL HG12 . 34997 1 741 . 1 . 1 64 64 VAL HG13 H 1 1.138 0.020 . 1 . . 737 . A 64 VAL HG13 . 34997 1 742 . 1 . 1 64 64 VAL HG21 H 1 1.120 0.020 . 1 . . 738 . A 64 VAL HG21 . 34997 1 743 . 1 . 1 64 64 VAL HG22 H 1 1.120 0.020 . 1 . . 738 . A 64 VAL HG22 . 34997 1 744 . 1 . 1 64 64 VAL HG23 H 1 1.120 0.020 . 1 . . 738 . A 64 VAL HG23 . 34997 1 745 . 1 . 1 64 64 VAL C C 13 173.465 0.100 . 1 . . 729 . A 64 VAL C . 34997 1 746 . 1 . 1 64 64 VAL CA C 13 58.723 0.100 . 1 . . 730 . A 64 VAL CA . 34997 1 747 . 1 . 1 64 64 VAL CB C 13 36.567 0.100 . 1 . . 731 . A 64 VAL CB . 34997 1 748 . 1 . 1 64 64 VAL CG1 C 13 20.759 0.100 . 1 . . 732 . A 64 VAL CG1 . 34997 1 749 . 1 . 1 64 64 VAL CG2 C 13 21.444 0.100 . 1 . . 733 . A 64 VAL CG2 . 34997 1 750 . 1 . 1 64 64 VAL N N 15 118.409 0.100 . 1 . . 739 . A 64 VAL N . 34997 1 751 . 1 . 1 65 65 PRO HA H 1 4.682 0.020 . 1 . . 745 . A 65 PRO HA . 34997 1 752 . 1 . 1 65 65 PRO HB2 H 1 2.332 0.020 . 2 . . 747 . A 65 PRO HB2 . 34997 1 753 . 1 . 1 65 65 PRO HB3 H 1 1.926 0.020 . 2 . . 746 . A 65 PRO HB3 . 34997 1 754 . 1 . 1 65 65 PRO HG2 H 1 1.998 0.020 . 2 . . 750 . A 65 PRO HG2 . 34997 1 755 . 1 . 1 65 65 PRO HG3 H 1 1.924 0.020 . 2 . . 749 . A 65 PRO HG3 . 34997 1 756 . 1 . 1 65 65 PRO HD2 H 1 3.808 0.020 . 1 . . 748 . A 65 PRO HD2 . 34997 1 757 . 1 . 1 65 65 PRO HD3 H 1 3.808 0.020 . 1 . . 748 . A 65 PRO HD3 . 34997 1 758 . 1 . 1 65 65 PRO C C 13 176.196 0.100 . 1 . . 740 . A 65 PRO C . 34997 1 759 . 1 . 1 65 65 PRO CA C 13 62.197 0.100 . 1 . . 741 . A 65 PRO CA . 34997 1 760 . 1 . 1 65 65 PRO CB C 13 32.427 0.100 . 1 . . 742 . A 65 PRO CB . 34997 1 761 . 1 . 1 65 65 PRO CG C 13 27.232 0.100 . 1 . . 744 . A 65 PRO CG . 34997 1 762 . 1 . 1 65 65 PRO CD C 13 51.079 0.100 . 1 . . 743 . A 65 PRO CD . 34997 1 763 . 1 . 1 66 66 ASP H H 1 8.788 0.020 . 1 . . 754 . A 66 ASP H . 34997 1 764 . 1 . 1 66 66 ASP HA H 1 4.549 0.020 . 1 . . 755 . A 66 ASP HA . 34997 1 765 . 1 . 1 66 66 ASP HB2 H 1 2.735 0.020 . 2 . . 757 . A 66 ASP HB2 . 34997 1 766 . 1 . 1 66 66 ASP HB3 H 1 2.902 0.020 . 2 . . 756 . A 66 ASP HB3 . 34997 1 767 . 1 . 1 66 66 ASP C C 13 178.032 0.100 . 1 . . 751 . A 66 ASP C . 34997 1 768 . 1 . 1 66 66 ASP CA C 13 56.912 0.100 . 1 . . 752 . A 66 ASP CA . 34997 1 769 . 1 . 1 66 66 ASP CB C 13 41.568 0.100 . 1 . . 753 . A 66 ASP CB . 34997 1 770 . 1 . 1 66 66 ASP N N 15 119.770 0.100 . 1 . . 758 . A 66 ASP N . 34997 1 771 . 1 . 1 67 67 GLY H H 1 9.223 0.020 . 1 . . 761 . A 67 GLY H . 34997 1 772 . 1 . 1 67 67 GLY HA2 H 1 4.174 0.020 . 2 . . 763 . A 67 GLY HA2 . 34997 1 773 . 1 . 1 67 67 GLY HA3 H 1 3.644 0.020 . 2 . . 762 . A 67 GLY HA3 . 34997 1 774 . 1 . 1 67 67 GLY C C 13 174.326 0.100 . 1 . . 759 . A 67 GLY C . 34997 1 775 . 1 . 1 67 67 GLY CA C 13 45.486 0.100 . 1 . . 760 . A 67 GLY CA . 34997 1 776 . 1 . 1 67 67 GLY N N 15 116.274 0.100 . 1 . . 764 . A 67 GLY N . 34997 1 777 . 1 . 1 68 68 GLY H H 1 8.666 0.020 . 1 . . 767 . A 68 GLY H . 34997 1 778 . 1 . 1 68 68 GLY HA2 H 1 4.000 0.020 . 2 . . 769 . A 68 GLY HA2 . 34997 1 779 . 1 . 1 68 68 GLY HA3 H 1 3.468 0.020 . 2 . . 768 . A 68 GLY HA3 . 34997 1 780 . 1 . 1 68 68 GLY C C 13 171.637 0.100 . 1 . . 765 . A 68 GLY C . 34997 1 781 . 1 . 1 68 68 GLY CA C 13 44.891 0.100 . 1 . . 766 . A 68 GLY CA . 34997 1 782 . 1 . 1 68 68 GLY N N 15 108.923 0.100 . 1 . . 770 . A 68 GLY N . 34997 1 783 . 1 . 1 69 69 LYS H H 1 7.947 0.020 . 1 . . 777 . A 69 LYS H . 34997 1 784 . 1 . 1 69 69 LYS HA H 1 5.066 0.020 . 1 . . 778 . A 69 LYS HA . 34997 1 785 . 1 . 1 69 69 LYS HB2 H 1 1.759 0.020 . 2 . . 780 . A 69 LYS HB2 . 34997 1 786 . 1 . 1 69 69 LYS HB3 H 1 1.633 0.020 . 2 . . 779 . A 69 LYS HB3 . 34997 1 787 . 1 . 1 69 69 LYS HG2 H 1 1.444 0.020 . 2 . . 785 . A 69 LYS HG2 . 34997 1 788 . 1 . 1 69 69 LYS HG3 H 1 1.381 0.020 . 2 . . 784 . A 69 LYS HG3 . 34997 1 789 . 1 . 1 69 69 LYS HD2 H 1 1.619 0.020 . 2 . . 782 . A 69 LYS HD2 . 34997 1 790 . 1 . 1 69 69 LYS HD3 H 1 1.486 0.020 . 2 . . 781 . A 69 LYS HD3 . 34997 1 791 . 1 . 1 69 69 LYS HE2 H 1 2.876 0.020 . 1 . . 783 . A 69 LYS HE2 . 34997 1 792 . 1 . 1 69 69 LYS HE3 H 1 2.876 0.020 . 1 . . 783 . A 69 LYS HE3 . 34997 1 793 . 1 . 1 69 69 LYS C C 13 177.475 0.100 . 1 . . 771 . A 69 LYS C . 34997 1 794 . 1 . 1 69 69 LYS CA C 13 55.374 0.100 . 1 . . 772 . A 69 LYS CA . 34997 1 795 . 1 . 1 69 69 LYS CB C 13 33.369 0.100 . 1 . . 773 . A 69 LYS CB . 34997 1 796 . 1 . 1 69 69 LYS CG C 13 24.496 0.100 . 1 . . 776 . A 69 LYS CG . 34997 1 797 . 1 . 1 69 69 LYS CD C 13 28.589 0.100 . 1 . . 774 . A 69 LYS CD . 34997 1 798 . 1 . 1 69 69 LYS CE C 13 41.869 0.100 . 1 . . 775 . A 69 LYS CE . 34997 1 799 . 1 . 1 69 69 LYS N N 15 120.710 0.100 . 1 . . 786 . A 69 LYS N . 34997 1 800 . 1 . 1 70 70 VAL H H 1 8.953 0.020 . 1 . . 792 . A 70 VAL H . 34997 1 801 . 1 . 1 70 70 VAL HA H 1 4.669 0.020 . 1 . . 793 . A 70 VAL HA . 34997 1 802 . 1 . 1 70 70 VAL HB H 1 2.259 0.020 . 1 . . 794 . A 70 VAL HB . 34997 1 803 . 1 . 1 70 70 VAL HG11 H 1 0.841 0.020 . 1 . . 795 . A 70 VAL HG11 . 34997 1 804 . 1 . 1 70 70 VAL HG12 H 1 0.841 0.020 . 1 . . 795 . A 70 VAL HG12 . 34997 1 805 . 1 . 1 70 70 VAL HG13 H 1 0.841 0.020 . 1 . . 795 . A 70 VAL HG13 . 34997 1 806 . 1 . 1 70 70 VAL HG21 H 1 0.678 0.020 . 1 . . 796 . A 70 VAL HG21 . 34997 1 807 . 1 . 1 70 70 VAL HG22 H 1 0.678 0.020 . 1 . . 796 . A 70 VAL HG22 . 34997 1 808 . 1 . 1 70 70 VAL HG23 H 1 0.678 0.020 . 1 . . 796 . A 70 VAL HG23 . 34997 1 809 . 1 . 1 70 70 VAL C C 13 173.562 0.100 . 1 . . 787 . A 70 VAL C . 34997 1 810 . 1 . 1 70 70 VAL CA C 13 59.515 0.100 . 1 . . 788 . A 70 VAL CA . 34997 1 811 . 1 . 1 70 70 VAL CB C 13 35.646 0.100 . 1 . . 789 . A 70 VAL CB . 34997 1 812 . 1 . 1 70 70 VAL CG1 C 13 23.680 0.100 . 1 . . 790 . A 70 VAL CG1 . 34997 1 813 . 1 . 1 70 70 VAL CG2 C 13 19.095 0.100 . 1 . . 791 . A 70 VAL CG2 . 34997 1 814 . 1 . 1 70 70 VAL N N 15 116.131 0.100 . 1 . . 797 . A 70 VAL N . 34997 1 815 . 1 . 1 71 71 GLU H H 1 7.798 0.020 . 1 . . 802 . A 71 GLU H . 34997 1 816 . 1 . 1 71 71 GLU HA H 1 4.959 0.020 . 1 . . 803 . A 71 GLU HA . 34997 1 817 . 1 . 1 71 71 GLU HB2 H 1 1.894 0.020 . 2 . . 805 . A 71 GLU HB2 . 34997 1 818 . 1 . 1 71 71 GLU HB3 H 1 2.177 0.020 . 2 . . 804 . A 71 GLU HB3 . 34997 1 819 . 1 . 1 71 71 GLU HG2 H 1 2.345 0.020 . 2 . . 807 . A 71 GLU HG2 . 34997 1 820 . 1 . 1 71 71 GLU HG3 H 1 2.215 0.020 . 2 . . 806 . A 71 GLU HG3 . 34997 1 821 . 1 . 1 71 71 GLU C C 13 176.155 0.100 . 1 . . 789 . A 71 GLU C . 34997 1 822 . 1 . 1 71 71 GLU CA C 13 53.689 0.100 . 1 . . 799 . A 71 GLU CA . 34997 1 823 . 1 . 1 71 71 GLU CB C 13 32.982 0.100 . 1 . . 800 . A 71 GLU CB . 34997 1 824 . 1 . 1 71 71 GLU CG C 13 35.468 0.100 . 1 . . 801 . A 71 GLU CG . 34997 1 825 . 1 . 1 71 71 GLU N N 15 117.456 0.100 . 1 . . 808 . A 71 GLU N . 34997 1 826 . 1 . 1 72 72 GLY H H 1 8.912 0.020 . 1 . . 811 . A 72 GLY H . 34997 1 827 . 1 . 1 72 72 GLY HA2 H 1 3.554 0.020 . 2 . . 813 . A 72 GLY HA2 . 34997 1 828 . 1 . 1 72 72 GLY HA3 H 1 3.341 0.020 . 2 . . 812 . A 72 GLY HA3 . 34997 1 829 . 1 . 1 72 72 GLY C C 13 175.525 0.100 . 1 . . 809 . A 72 GLY C . 34997 1 830 . 1 . 1 72 72 GLY CA C 13 47.070 0.100 . 1 . . 810 . A 72 GLY CA . 34997 1 831 . 1 . 1 72 72 GLY N N 15 108.280 0.100 . 1 . . 814 . A 72 GLY N . 34997 1 832 . 1 . 1 73 73 GLY H H 1 8.461 0.020 . 1 . . 817 . A 73 GLY H . 34997 1 833 . 1 . 1 73 73 GLY HA2 H 1 3.501 0.020 . 2 . . 819 . A 73 GLY HA2 . 34997 1 834 . 1 . 1 73 73 GLY HA3 H 1 4.310 0.020 . 2 . . 818 . A 73 GLY HA3 . 34997 1 835 . 1 . 1 73 73 GLY C C 13 174.559 0.100 . 1 . . 815 . A 73 GLY C . 34997 1 836 . 1 . 1 73 73 GLY CA C 13 45.353 0.100 . 1 . . 816 . A 73 GLY CA . 34997 1 837 . 1 . 1 73 73 GLY N N 15 114.154 0.100 . 1 . . 820 . A 73 GLY N . 34997 1 838 . 1 . 1 74 74 THR H H 1 8.195 0.020 . 1 . . 825 . A 74 THR H . 34997 1 839 . 1 . 1 74 74 THR HA H 1 4.313 0.020 . 1 . . 826 . A 74 THR HA . 34997 1 840 . 1 . 1 74 74 THR HB H 1 4.117 0.020 . 1 . . 827 . A 74 THR HB . 34997 1 841 . 1 . 1 74 74 THR HG21 H 1 1.363 0.020 . 1 . . 828 . A 74 THR HG21 . 34997 1 842 . 1 . 1 74 74 THR HG22 H 1 1.363 0.020 . 1 . . 829 . A 74 THR HG22 . 34997 1 843 . 1 . 1 74 74 THR HG23 H 1 1.363 0.020 . 1 . . 829 . A 74 THR HG23 . 34997 1 844 . 1 . 1 74 74 THR C C 13 174.287 0.100 . 1 . . 821 . A 74 THR C . 34997 1 845 . 1 . 1 74 74 THR CA C 13 63.181 0.100 . 1 . . 822 . A 74 THR CA . 34997 1 846 . 1 . 1 74 74 THR CB C 13 70.026 0.100 . 1 . . 823 . A 74 THR CB . 34997 1 847 . 1 . 1 74 74 THR CG2 C 13 21.774 0.100 . 1 . . 824 . A 74 THR CG2 . 34997 1 848 . 1 . 1 74 74 THR N N 15 120.548 0.100 . 1 . . 829 . A 74 THR N . 34997 1 849 . 1 . 1 75 75 PRO HA H 1 4.002 0.020 . 1 . . 835 . A 75 PRO HA . 34997 1 850 . 1 . 1 75 75 PRO HB2 H 1 1.894 0.020 . 1 . . 836 . A 75 PRO HB2 . 34997 1 851 . 1 . 1 75 75 PRO HB3 H 1 1.894 0.020 . 1 . . 836 . A 75 PRO HB3 . 34997 1 852 . 1 . 1 75 75 PRO HG2 H 1 2.174 0.020 . 2 . . 840 . A 75 PRO HG2 . 34997 1 853 . 1 . 1 75 75 PRO HG3 H 1 1.729 0.020 . 2 . . 839 . A 75 PRO HG3 . 34997 1 854 . 1 . 1 75 75 PRO HD2 H 1 4.282 0.020 . 2 . . 838 . A 75 PRO HD2 . 34997 1 855 . 1 . 1 75 75 PRO HD3 H 1 3.655 0.020 . 2 . . 837 . A 75 PRO HD3 . 34997 1 856 . 1 . 1 75 75 PRO C C 13 174.234 0.100 . 1 . . 830 . A 75 PRO C . 34997 1 857 . 1 . 1 75 75 PRO CA C 13 64.719 0.100 . 1 . . 831 . A 75 PRO CA . 34997 1 858 . 1 . 1 75 75 PRO CB C 13 32.852 0.100 . 1 . . 832 . A 75 PRO CB . 34997 1 859 . 1 . 1 75 75 PRO CG C 13 28.183 0.100 . 1 . . 834 . A 75 PRO CG . 34997 1 860 . 1 . 1 75 75 PRO CD C 13 51.895 0.100 . 1 . . 833 . A 75 PRO CD . 34997 1 861 . 1 . 1 76 76 LEU H H 1 9.140 0.020 . 1 . . 847 . A 76 LEU H . 34997 1 862 . 1 . 1 76 76 LEU HA H 1 4.868 0.020 . 1 . . 848 . A 76 LEU HA . 34997 1 863 . 1 . 1 76 76 LEU HB2 H 1 1.839 0.020 . 2 . . 850 . A 76 LEU HB2 . 34997 1 864 . 1 . 1 76 76 LEU HB3 H 1 1.764 0.020 . 2 . . 849 . A 76 LEU HB3 . 34997 1 865 . 1 . 1 76 76 LEU HD11 H 1 0.786 0.020 . 1 . . 851 . A 76 LEU HD11 . 34997 1 866 . 1 . 1 76 76 LEU HD12 H 1 0.786 0.020 . 1 . . 851 . A 76 LEU HD12 . 34997 1 867 . 1 . 1 76 76 LEU HD13 H 1 0.786 0.020 . 1 . . 851 . A 76 LEU HD13 . 34997 1 868 . 1 . 1 76 76 LEU HD21 H 1 0.784 0.020 . 1 . . 852 . A 76 LEU HD21 . 34997 1 869 . 1 . 1 76 76 LEU HD22 H 1 0.784 0.020 . 1 . . 852 . A 76 LEU HD22 . 34997 1 870 . 1 . 1 76 76 LEU HD23 H 1 0.784 0.020 . 1 . . 852 . A 76 LEU HD23 . 34997 1 871 . 1 . 1 76 76 LEU C C 13 175.723 0.100 . 1 . . 841 . A 76 LEU C . 34997 1 872 . 1 . 1 76 76 LEU CA C 13 56.600 0.100 . 1 . . 842 . A 76 LEU CA . 34997 1 873 . 1 . 1 76 76 LEU CB C 13 46.072 0.100 . 1 . . 843 . A 76 LEU CB . 34997 1 874 . 1 . 1 76 76 LEU CG C 13 26.929 0.100 . 1 . . 846 . A 76 LEU CG . 34997 1 875 . 1 . 1 76 76 LEU CD1 C 13 26.106 0.100 . 1 . . 844 . A 76 LEU CD1 . 34997 1 876 . 1 . 1 76 76 LEU CD2 C 13 24.294 0.100 . 1 . . 845 . A 76 LEU CD2 . 34997 1 877 . 1 . 1 76 76 LEU N N 15 122.924 0.100 . 1 . . 853 . A 76 LEU N . 34997 1 878 . 1 . 1 77 77 PHE H H 1 7.425 0.020 . 1 . . 857 . A 77 PHE H . 34997 1 879 . 1 . 1 77 77 PHE HA H 1 5.256 0.020 . 1 . . 858 . A 77 PHE HA . 34997 1 880 . 1 . 1 77 77 PHE HB2 H 1 3.570 0.020 . 2 . . 860 . A 77 PHE HB2 . 34997 1 881 . 1 . 1 77 77 PHE HB3 H 1 3.267 0.020 . 2 . . 859 . A 77 PHE HB3 . 34997 1 882 . 1 . 1 77 77 PHE HD1 H 1 7.150 0.020 . 1 . . 861 . A 77 PHE HD1 . 34997 1 883 . 1 . 1 77 77 PHE HD2 H 1 7.150 0.020 . 1 . . 861 . A 77 PHE HD2 . 34997 1 884 . 1 . 1 77 77 PHE HE1 H 1 7.119 0.020 . 1 . . 862 . A 77 PHE HE1 . 34997 1 885 . 1 . 1 77 77 PHE HE2 H 1 7.119 0.020 . 1 . . 862 . A 77 PHE HE2 . 34997 1 886 . 1 . 1 77 77 PHE C C 13 172.142 0.100 . 1 . . 854 . A 77 PHE C . 34997 1 887 . 1 . 1 77 77 PHE CA C 13 55.809 0.100 . 1 . . 855 . A 77 PHE CA . 34997 1 888 . 1 . 1 77 77 PHE CB C 13 41.450 0.100 . 1 . . 856 . A 77 PHE CB . 34997 1 889 . 1 . 1 77 77 PHE N N 15 111.014 0.100 . 1 . . 863 . A 77 PHE N . 34997 1 890 . 1 . 1 78 78 THR H H 1 8.846 0.020 . 1 . . 868 . A 78 THR H . 34997 1 891 . 1 . 1 78 78 THR HA H 1 5.328 0.020 . 1 . . 869 . A 78 THR HA . 34997 1 892 . 1 . 1 78 78 THR HB H 1 3.834 0.020 . 1 . . 870 . A 78 THR HB . 34997 1 893 . 1 . 1 78 78 THR HG21 H 1 1.100 0.020 . 1 . . 871 . A 78 THR HG21 . 34997 1 894 . 1 . 1 78 78 THR HG22 H 1 1.100 0.020 . 1 . . 871 . A 78 THR HG22 . 34997 1 895 . 1 . 1 78 78 THR HG23 H 1 1.100 0.020 . 1 . . 871 . A 78 THR HG23 . 34997 1 896 . 1 . 1 78 78 THR C C 13 173.423 0.100 . 1 . . 864 . A 78 THR C . 34997 1 897 . 1 . 1 78 78 THR CA C 13 59.938 0.100 . 1 . . 865 . A 78 THR CA . 34997 1 898 . 1 . 1 78 78 THR CB C 13 70.722 0.100 . 1 . . 866 . A 78 THR CB . 34997 1 899 . 1 . 1 78 78 THR CG2 C 13 23.158 0.100 . 1 . . 867 . A 78 THR CG2 . 34997 1 900 . 1 . 1 78 78 THR N N 15 113.454 0.100 . 1 . . 872 . A 78 THR N . 34997 1 901 . 1 . 1 79 79 LEU H H 1 9.413 0.020 . 1 . . 879 . A 79 LEU H . 34997 1 902 . 1 . 1 79 79 LEU HA H 1 5.032 0.020 . 1 . . 880 . A 79 LEU HA . 34997 1 903 . 1 . 1 79 79 LEU HB2 H 1 1.725 0.020 . 2 . . 882 . A 79 LEU HB2 . 34997 1 904 . 1 . 1 79 79 LEU HB3 H 1 1.323 0.020 . 2 . . 881 . A 79 LEU HB3 . 34997 1 905 . 1 . 1 79 79 LEU HG H 1 1.323 0.020 . 1 . . 885 . A 79 LEU HG . 34997 1 906 . 1 . 1 79 79 LEU HD11 H 1 0.661 0.020 . 1 . . 883 . A 79 LEU HD11 . 34997 1 907 . 1 . 1 79 79 LEU HD12 H 1 0.661 0.020 . 1 . . 883 . A 79 LEU HD12 . 34997 1 908 . 1 . 1 79 79 LEU HD13 H 1 0.661 0.020 . 1 . . 883 . A 79 LEU HD13 . 34997 1 909 . 1 . 1 79 79 LEU HD21 H 1 0.653 0.020 . 1 . . 884 . A 79 LEU HD21 . 34997 1 910 . 1 . 1 79 79 LEU HD22 H 1 0.653 0.020 . 1 . . 884 . A 79 LEU HD22 . 34997 1 911 . 1 . 1 79 79 LEU HD23 H 1 0.653 0.020 . 1 . . 884 . A 79 LEU HD23 . 34997 1 912 . 1 . 1 79 79 LEU C C 13 173.821 0.100 . 1 . . 873 . A 79 LEU C . 34997 1 913 . 1 . 1 79 79 LEU CA C 13 53.040 0.100 . 1 . . 874 . A 79 LEU CA . 34997 1 914 . 1 . 1 79 79 LEU CB C 13 47.165 0.100 . 1 . . 875 . A 79 LEU CB . 34997 1 915 . 1 . 1 79 79 LEU CG C 13 26.689 0.100 . 1 . . 878 . A 79 LEU CG . 34997 1 916 . 1 . 1 79 79 LEU CD1 C 13 26.777 0.100 . 1 . . 876 . A 79 LEU CD1 . 34997 1 917 . 1 . 1 79 79 LEU CD2 C 13 25.580 0.100 . 1 . . 877 . A 79 LEU CD2 . 34997 1 918 . 1 . 1 79 79 LEU N N 15 127.977 0.100 . 1 . . 886 . A 79 LEU N . 34997 1 919 . 1 . 1 80 80 ARG H H 1 9.297 0.020 . 1 . . 892 . A 80 ARG H . 34997 1 920 . 1 . 1 80 80 ARG HA H 1 4.886 0.020 . 1 . . 893 . A 80 ARG HA . 34997 1 921 . 1 . 1 80 80 ARG HB2 H 1 1.841 0.020 . 2 . . 894 . A 80 ARG HB2 . 34997 1 922 . 1 . 1 80 80 ARG HB3 H 1 1.570 0.020 . 2 . . 894 . A 80 ARG HB3 . 34997 1 923 . 1 . 1 80 80 ARG HG2 H 1 1.405 0.020 . 2 . . 899 . A 80 ARG HG2 . 34997 1 924 . 1 . 1 80 80 ARG HG3 H 1 1.366 0.020 . 2 . . 898 . A 80 ARG HG3 . 34997 1 925 . 1 . 1 80 80 ARG HD2 H 1 3.144 0.020 . 2 . . 896 . A 80 ARG HD2 . 34997 1 926 . 1 . 1 80 80 ARG HD3 H 1 3.073 0.020 . 2 . . 895 . A 80 ARG HD3 . 34997 1 927 . 1 . 1 80 80 ARG HE H 1 7.744 0.020 . 1 . . 897 . A 80 ARG HE . 34997 1 928 . 1 . 1 80 80 ARG C C 13 175.847 0.100 . 1 . . 887 . A 80 ARG C . 34997 1 929 . 1 . 1 80 80 ARG CA C 13 54.306 0.100 . 1 . . 888 . A 80 ARG CA . 34997 1 930 . 1 . 1 80 80 ARG CB C 13 31.250 0.100 . 1 . . 889 . A 80 ARG CB . 34997 1 931 . 1 . 1 80 80 ARG CG C 13 27.042 0.100 . 1 . . 891 . A 80 ARG CG . 34997 1 932 . 1 . 1 80 80 ARG CD C 13 42.865 0.100 . 1 . . 890 . A 80 ARG CD . 34997 1 933 . 1 . 1 80 80 ARG N N 15 127.370 0.100 . 1 . . 900 . A 80 ARG N . 34997 1 934 . 1 . 1 81 81 LYS H H 1 8.962 0.020 . 1 . . 907 . A 81 LYS H . 34997 1 935 . 1 . 1 81 81 LYS HA H 1 4.444 0.020 . 1 . . 908 . A 81 LYS HA . 34997 1 936 . 1 . 1 81 81 LYS HB2 H 1 1.919 0.020 . 2 . . 910 . A 81 LYS HB2 . 34997 1 937 . 1 . 1 81 81 LYS HB3 H 1 1.694 0.020 . 2 . . 909 . A 81 LYS HB3 . 34997 1 938 . 1 . 1 81 81 LYS HG2 H 1 1.474 0.020 . 2 . . 915 . A 81 LYS HG2 . 34997 1 939 . 1 . 1 81 81 LYS HG3 H 1 1.190 0.020 . 2 . . 914 . A 81 LYS HG3 . 34997 1 940 . 1 . 1 81 81 LYS HD2 H 1 1.591 0.020 . 1 . . 911 . A 81 LYS HD2 . 34997 1 941 . 1 . 1 81 81 LYS HD3 H 1 1.591 0.020 . 1 . . 911 . A 81 LYS HD3 . 34997 1 942 . 1 . 1 81 81 LYS HE2 H 1 2.837 0.020 . 2 . . 913 . A 81 LYS HE2 . 34997 1 943 . 1 . 1 81 81 LYS HE3 H 1 2.782 0.020 . 2 . . 912 . A 81 LYS HE3 . 34997 1 944 . 1 . 1 81 81 LYS C C 13 176.947 0.100 . 1 . . 901 . A 81 LYS C . 34997 1 945 . 1 . 1 81 81 LYS CA C 13 57.827 0.100 . 1 . . 902 . A 81 LYS CA . 34997 1 946 . 1 . 1 81 81 LYS CB C 13 32.927 0.100 . 1 . . 903 . A 81 LYS CB . 34997 1 947 . 1 . 1 81 81 LYS CG C 13 25.670 0.100 . 1 . . 906 . A 81 LYS CG . 34997 1 948 . 1 . 1 81 81 LYS CD C 13 29.333 0.100 . 1 . . 904 . A 81 LYS CD . 34997 1 949 . 1 . 1 81 81 LYS CE C 13 41.654 0.100 . 1 . . 905 . A 81 LYS CE . 34997 1 950 . 1 . 1 81 81 LYS N N 15 128.529 0.100 . 1 . . 916 . A 81 LYS N . 34997 1 951 . 1 . 1 82 82 THR H H 1 8.073 0.020 . 1 . . 921 . A 82 THR H . 34997 1 952 . 1 . 1 82 82 THR HA H 1 4.379 0.020 . 1 . . 922 . A 82 THR HA . 34997 1 953 . 1 . 1 82 82 THR HB H 1 4.193 0.020 . 1 . . 923 . A 82 THR HB . 34997 1 954 . 1 . 1 82 82 THR HG21 H 1 1.152 0.020 . 1 . . 924 . A 82 THR HG21 . 34997 1 955 . 1 . 1 82 82 THR HG22 H 1 1.152 0.020 . 1 . . 924 . A 82 THR HG22 . 34997 1 956 . 1 . 1 82 82 THR HG23 H 1 1.152 0.020 . 1 . . 924 . A 82 THR HG23 . 34997 1 957 . 1 . 1 82 82 THR C C 13 175.156 0.100 . 1 . . 917 . A 82 THR C . 34997 1 958 . 1 . 1 82 82 THR CA C 13 61.321 0.100 . 1 . . 918 . A 82 THR CA . 34997 1 959 . 1 . 1 82 82 THR CB C 13 69.860 0.100 . 1 . . 919 . A 82 THR CB . 34997 1 960 . 1 . 1 82 82 THR CG2 C 13 21.846 0.100 . 1 . . 920 . A 82 THR CG2 . 34997 1 961 . 1 . 1 82 82 THR N N 15 114.949 0.100 . 1 . . 925 . A 82 THR N . 34997 1 962 . 1 . 1 83 83 GLY H H 1 8.479 0.020 . 1 . . 928 . A 83 GLY H . 34997 1 963 . 1 . 1 83 83 GLY HA2 H 1 3.942 0.020 . 1 . . 929 . A 83 GLY HA2 . 34997 1 964 . 1 . 1 83 83 GLY HA3 H 1 3.942 0.020 . 1 . . 929 . A 83 GLY HA3 . 34997 1 965 . 1 . 1 83 83 GLY C C 13 172.699 0.100 . 1 . . 926 . A 83 GLY C . 34997 1 966 . 1 . 1 83 83 GLY CA C 13 45.202 0.100 . 1 . . 927 . A 83 GLY CA . 34997 1 967 . 1 . 1 83 83 GLY N N 15 111.756 0.100 . 1 . . 930 . A 83 GLY N . 34997 1 968 . 1 . 1 84 84 ALA H H 1 7.931 0.020 . 1 . . 934 . A 84 ALA H . 34997 1 969 . 1 . 1 84 84 ALA HA H 1 4.100 0.020 . 1 . . 935 . A 84 ALA HA . 34997 1 970 . 1 . 1 84 84 ALA HB1 H 1 1.285 0.020 . 1 . . 936 . A 84 ALA HB1 . 34997 1 971 . 1 . 1 84 84 ALA HB2 H 1 1.285 0.020 . 1 . . 936 . A 84 ALA HB2 . 34997 1 972 . 1 . 1 84 84 ALA HB3 H 1 1.285 0.020 . 1 . . 936 . A 84 ALA HB3 . 34997 1 973 . 1 . 1 84 84 ALA C C 13 182.640 0.100 . 1 . . 931 . A 84 ALA C . 34997 1 974 . 1 . 1 84 84 ALA CA C 13 53.682 0.100 . 1 . . 932 . A 84 ALA CA . 34997 1 975 . 1 . 1 84 84 ALA CB C 13 20.030 0.100 . 1 . . 933 . A 84 ALA CB . 34997 1 976 . 1 . 1 84 84 ALA N N 15 129.485 0.100 . 1 . . 937 . A 84 ALA N . 34997 1 stop_ save_