data_25451 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25451 _Entry.Title ; Solution structure of the dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-22 _Entry.Accession_date 2015-01-22 _Entry.Last_release_date 2015-10-23 _Entry.Original_release_date 2015-10-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mattia Sturlese . . . . 25451 2 Monica Stefani . . . . 25451 3 Bruno Manta . . . . 25451 4 Stefano Mammi . . . . 25451 5 Marcelo Comini . . . . 25451 6 Massimo Bellanda . . . . 25451 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25451 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Trypanosomes . 25451 glutaredoxin . 25451 glutathione . 25451 trypanothione . 25451 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25451 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 404 25451 '15N chemical shifts' 92 25451 '1H chemical shifts' 642 25451 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 2 . . 2016-08-30 2015-01-22 update BMRB 'update entry citation' 25451 1 . . 2015-10-23 2015-01-22 original author 'original release' 25451 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MYG 'BMRB Entry Tracking System' 25451 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25451 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-015-9643-x _Citation.PubMed_ID 26386962 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignment of the cytosolic dithiol glutaredoxin 1 from the pathogen Trypanosoma brucei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 85 _Citation.Page_last 88 _Citation.Year 2016 _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 Monica Stefani . . . . 25451 1 2 Mattia Sturlese . . . . 25451 1 3 Bruno Manta . . . . 25451 1 4 Stefano Mammi . . . . 25451 1 5 Marcelo Comini . A. . . 25451 1 6 Massimo Bellanda . . . . 25451 1 7 Monica Stefani . . . . 25451 1 8 Mattia Sturlese . . . . 25451 1 9 Bruno Manta . . . . 25451 1 10 Stefano Mammi . . . . 25451 1 11 Marcelo Comini . A. . . 25451 1 12 Massimo Bellanda . . . . 25451 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25451 _Assembly.ID 1 _Assembly.Name 'dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25451 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25451 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMPSIASMIKGNKVVVFSW VTCPYCVRAEKLLHARTKDI TVHYVDKMSEGEQLRGEIYQ AYKHETVPAIFINGNFIGGC SDLEALDKEGKLDGLLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10718.449 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP E7AIJ0 . 'Dithiol glutaredoxin 1' . . . . . . . . . . . . . . 25451 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 -1 GLY . 25451 1 2 0 ALA . 25451 1 3 1 MET . 25451 1 4 2 PRO . 25451 1 5 3 SER . 25451 1 6 4 ILE . 25451 1 7 5 ALA . 25451 1 8 6 SER . 25451 1 9 7 MET . 25451 1 10 8 ILE . 25451 1 11 9 LYS . 25451 1 12 10 GLY . 25451 1 13 11 ASN . 25451 1 14 12 LYS . 25451 1 15 13 VAL . 25451 1 16 14 VAL . 25451 1 17 15 VAL . 25451 1 18 16 PHE . 25451 1 19 17 SER . 25451 1 20 18 TRP . 25451 1 21 19 VAL . 25451 1 22 20 THR . 25451 1 23 21 CYS . 25451 1 24 22 PRO . 25451 1 25 23 TYR . 25451 1 26 24 CYS . 25451 1 27 25 VAL . 25451 1 28 26 ARG . 25451 1 29 27 ALA . 25451 1 30 28 GLU . 25451 1 31 29 LYS . 25451 1 32 30 LEU . 25451 1 33 31 LEU . 25451 1 34 32 HIS . 25451 1 35 33 ALA . 25451 1 36 34 ARG . 25451 1 37 35 THR . 25451 1 38 36 LYS . 25451 1 39 37 ASP . 25451 1 40 38 ILE . 25451 1 41 39 THR . 25451 1 42 40 VAL . 25451 1 43 41 HIS . 25451 1 44 42 TYR . 25451 1 45 43 VAL . 25451 1 46 44 ASP . 25451 1 47 45 LYS . 25451 1 48 46 MET . 25451 1 49 47 SER . 25451 1 50 48 GLU . 25451 1 51 49 GLY . 25451 1 52 50 GLU . 25451 1 53 51 GLN . 25451 1 54 52 LEU . 25451 1 55 53 ARG . 25451 1 56 54 GLY . 25451 1 57 55 GLU . 25451 1 58 56 ILE . 25451 1 59 57 TYR . 25451 1 60 58 GLN . 25451 1 61 59 ALA . 25451 1 62 60 TYR . 25451 1 63 61 LYS . 25451 1 64 62 HIS . 25451 1 65 63 GLU . 25451 1 66 64 THR . 25451 1 67 65 VAL . 25451 1 68 66 PRO . 25451 1 69 67 ALA . 25451 1 70 68 ILE . 25451 1 71 69 PHE . 25451 1 72 70 ILE . 25451 1 73 71 ASN . 25451 1 74 72 GLY . 25451 1 75 73 ASN . 25451 1 76 74 PHE . 25451 1 77 75 ILE . 25451 1 78 76 GLY . 25451 1 79 77 GLY . 25451 1 80 78 CYS . 25451 1 81 79 SER . 25451 1 82 80 ASP . 25451 1 83 81 LEU . 25451 1 84 82 GLU . 25451 1 85 83 ALA . 25451 1 86 84 LEU . 25451 1 87 85 ASP . 25451 1 88 86 LYS . 25451 1 89 87 GLU . 25451 1 90 88 GLY . 25451 1 91 89 LYS . 25451 1 92 90 LEU . 25451 1 93 91 ASP . 25451 1 94 92 GLY . 25451 1 95 93 LEU . 25451 1 96 94 LEU . 25451 1 97 95 SER . 25451 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 25451 1 . ALA 2 2 25451 1 . MET 3 3 25451 1 . PRO 4 4 25451 1 . SER 5 5 25451 1 . ILE 6 6 25451 1 . ALA 7 7 25451 1 . SER 8 8 25451 1 . MET 9 9 25451 1 . ILE 10 10 25451 1 . LYS 11 11 25451 1 . GLY 12 12 25451 1 . ASN 13 13 25451 1 . LYS 14 14 25451 1 . VAL 15 15 25451 1 . VAL 16 16 25451 1 . VAL 17 17 25451 1 . PHE 18 18 25451 1 . SER 19 19 25451 1 . TRP 20 20 25451 1 . VAL 21 21 25451 1 . THR 22 22 25451 1 . CYS 23 23 25451 1 . PRO 24 24 25451 1 . TYR 25 25 25451 1 . CYS 26 26 25451 1 . VAL 27 27 25451 1 . ARG 28 28 25451 1 . ALA 29 29 25451 1 . GLU 30 30 25451 1 . LYS 31 31 25451 1 . LEU 32 32 25451 1 . LEU 33 33 25451 1 . HIS 34 34 25451 1 . ALA 35 35 25451 1 . ARG 36 36 25451 1 . THR 37 37 25451 1 . LYS 38 38 25451 1 . ASP 39 39 25451 1 . ILE 40 40 25451 1 . THR 41 41 25451 1 . VAL 42 42 25451 1 . HIS 43 43 25451 1 . TYR 44 44 25451 1 . VAL 45 45 25451 1 . ASP 46 46 25451 1 . LYS 47 47 25451 1 . MET 48 48 25451 1 . SER 49 49 25451 1 . GLU 50 50 25451 1 . GLY 51 51 25451 1 . GLU 52 52 25451 1 . GLN 53 53 25451 1 . LEU 54 54 25451 1 . ARG 55 55 25451 1 . GLY 56 56 25451 1 . GLU 57 57 25451 1 . ILE 58 58 25451 1 . TYR 59 59 25451 1 . GLN 60 60 25451 1 . ALA 61 61 25451 1 . TYR 62 62 25451 1 . LYS 63 63 25451 1 . HIS 64 64 25451 1 . GLU 65 65 25451 1 . THR 66 66 25451 1 . VAL 67 67 25451 1 . PRO 68 68 25451 1 . ALA 69 69 25451 1 . ILE 70 70 25451 1 . PHE 71 71 25451 1 . ILE 72 72 25451 1 . ASN 73 73 25451 1 . GLY 74 74 25451 1 . ASN 75 75 25451 1 . PHE 76 76 25451 1 . ILE 77 77 25451 1 . GLY 78 78 25451 1 . GLY 79 79 25451 1 . CYS 80 80 25451 1 . SER 81 81 25451 1 . ASP 82 82 25451 1 . LEU 83 83 25451 1 . GLU 84 84 25451 1 . ALA 85 85 25451 1 . LEU 86 86 25451 1 . ASP 87 87 25451 1 . LYS 88 88 25451 1 . GLU 89 89 25451 1 . GLY 90 90 25451 1 . LYS 91 91 25451 1 . LEU 92 92 25451 1 . ASP 93 93 25451 1 . GLY 94 94 25451 1 . LEU 95 95 25451 1 . LEU 96 96 25451 1 . SER 97 97 25451 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 25451 _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 . 5691 organism . 'Trypanosoma brucei' 'Sleeping sickness' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 25451 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 25451 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-Trx1b . . . 25451 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25451 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25451 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25451 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25451 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25451 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25451 1 6 PMSF 'natural abundance' . . . . . . 0.2 . . mM . . . . 25451 1 7 'Tb 2-C-Grx1' '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 25451 1 8 D2O 'natural abundance' . . . . . . 95 . . % . . . . 25451 1 9 H2O 'natural abundance' . . . . . . 5 . . % . . . . 25451 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25451 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 25451 1 pressure 1 . atm 25451 1 temperature 298 . K 25451 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25451 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25451 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25451 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25451 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25451 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25451 2 stop_ save_ save_UNIO'10 _Software.Sf_category software _Software.Sf_framecode UNIO'10 _Software.Entry_ID 25451 _Software.ID 3 _Software.Name UNIO'10 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . . 25451 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOESY assignment' 25451 3 'peak picking' 25451 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25451 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25451 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25451 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25451 _Software.ID 5 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25451 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25451 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25451 _Software.ID 6 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25451 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25451 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25451 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25451 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25451 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25451 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 25451 1 2 spectrometer_2 Bruker Avance . 800 . . . 25451 1 3 spectrometer_3 Bruker Avance . 500 . . . 25451 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 25451 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25451 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25451 1 3 3DHN(CA)CO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25451 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25451 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25451 1 6 '3D H(C)CH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25451 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25451 1 8 '3D (H)C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25451 1 9 '2D (H)CB(CGCC)H-TOCSY (PHE-OPTIMIZED)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25451 1 10 '2D (H)CB(CGCC)H-TOCSY (TYR-OPTIMIZED)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25451 1 11 '2D (H)CB(CGCC)H-TOCSY (HIS-OPTIMIZED)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25451 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25451 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25451 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25451 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25451 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25451 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25451 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25451 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25451 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 25451 1 2 '3D HNCO' . . . 25451 1 3 3DHN(CA)CO . . . 25451 1 4 '3D CBCA(CO)NH' . . . 25451 1 5 '3D HBHA(CO)NH' . . . 25451 1 6 '3D H(C)CH-TOCSY' . . . 25451 1 7 '3D H(CCO)NH' . . . 25451 1 8 '3D (H)C(CO)NH' . . . 25451 1 9 '2D (H)CB(CGCC)H-TOCSY (PHE-OPTIMIZED)' . . . 25451 1 11 '2D (H)CB(CGCC)H-TOCSY (HIS-OPTIMIZED)' . . . 25451 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 SER HA H 1 4.492 0.04 . 1 . . . . 3 SER HA . 25451 1 2 . 1 1 5 5 SER HB2 H 1 4.061 0.04 . 2 . . . . 3 SER HB2 . 25451 1 3 . 1 1 5 5 SER HB3 H 1 3.820 0.04 . 2 . . . . 3 SER HB3 . 25451 1 4 . 1 1 5 5 SER C C 13 176.116 0.40 . 1 . . . . 3 SER C . 25451 1 5 . 1 1 5 5 SER CA C 13 59.352 0.40 . 1 . . . . 3 SER CA . 25451 1 6 . 1 1 5 5 SER CB C 13 64.230 0.40 . 1 . . . . 3 SER CB . 25451 1 7 . 1 1 6 6 ILE H H 1 9.168 0.04 . 1 . . . . 4 ILE H . 25451 1 8 . 1 1 6 6 ILE HA H 1 3.811 0.04 . 1 . . . . 4 ILE HA . 25451 1 9 . 1 1 6 6 ILE HB H 1 1.802 0.04 . 1 . . . . 4 ILE HB . 25451 1 10 . 1 1 6 6 ILE HG12 H 1 1.366 0.04 . 2 . . . . 4 ILE HG12 . 25451 1 11 . 1 1 6 6 ILE HG13 H 1 1.233 0.04 . 2 . . . . 4 ILE HG13 . 25451 1 12 . 1 1 6 6 ILE HG21 H 1 0.821 0.04 . 1 . . . . 4 ILE HG2 . 25451 1 13 . 1 1 6 6 ILE HG22 H 1 0.821 0.04 . 1 . . . . 4 ILE HG2 . 25451 1 14 . 1 1 6 6 ILE HG23 H 1 0.821 0.04 . 1 . . . . 4 ILE HG2 . 25451 1 15 . 1 1 6 6 ILE HD11 H 1 0.450 0.04 . 1 . . . . 4 ILE HD1 . 25451 1 16 . 1 1 6 6 ILE HD12 H 1 0.450 0.04 . 1 . . . . 4 ILE HD1 . 25451 1 17 . 1 1 6 6 ILE HD13 H 1 0.450 0.04 . 1 . . . . 4 ILE HD1 . 25451 1 18 . 1 1 6 6 ILE C C 13 176.572 0.40 . 1 . . . . 4 ILE C . 25451 1 19 . 1 1 6 6 ILE CA C 13 64.030 0.40 . 1 . . . . 4 ILE CA . 25451 1 20 . 1 1 6 6 ILE CB C 13 37.540 0.40 . 1 . . . . 4 ILE CB . 25451 1 21 . 1 1 6 6 ILE CG1 C 13 26.596 0.40 . 1 . . . . 4 ILE CG1 . 25451 1 22 . 1 1 6 6 ILE CG2 C 13 18.263 0.40 . 1 . . . . 4 ILE CG2 . 25451 1 23 . 1 1 6 6 ILE CD1 C 13 13.764 0.40 . 1 . . . . 4 ILE CD1 . 25451 1 24 . 1 1 6 6 ILE N N 15 120.706 0.40 . 1 . . . . 4 ILE N . 25451 1 25 . 1 1 7 7 ALA H H 1 7.882 0.04 . 1 . . . . 5 ALA H . 25451 1 26 . 1 1 7 7 ALA HA H 1 3.894 0.04 . 1 . . . . 5 ALA HA . 25451 1 27 . 1 1 7 7 ALA HB1 H 1 1.362 0.04 . 1 . . . . 5 ALA HB . 25451 1 28 . 1 1 7 7 ALA HB2 H 1 1.362 0.04 . 1 . . . . 5 ALA HB . 25451 1 29 . 1 1 7 7 ALA HB3 H 1 1.362 0.04 . 1 . . . . 5 ALA HB . 25451 1 30 . 1 1 7 7 ALA C C 13 179.457 0.40 . 1 . . . . 5 ALA C . 25451 1 31 . 1 1 7 7 ALA CA C 13 55.133 0.40 . 1 . . . . 5 ALA CA . 25451 1 32 . 1 1 7 7 ALA CB C 13 18.278 0.40 . 1 . . . . 5 ALA CB . 25451 1 33 . 1 1 7 7 ALA N N 15 122.400 0.40 . 1 . . . . 5 ALA N . 25451 1 34 . 1 1 8 8 SER H H 1 7.647 0.04 . 1 . . . . 6 SER H . 25451 1 35 . 1 1 8 8 SER HA H 1 4.227 0.04 . 1 . . . . 6 SER HA . 25451 1 36 . 1 1 8 8 SER HB2 H 1 3.886 0.04 . 2 . . . . 6 SER HB . 25451 1 37 . 1 1 8 8 SER HB3 H 1 3.886 0.04 . 2 . . . . 6 SER HB . 25451 1 38 . 1 1 8 8 SER C C 13 177.029 0.40 . 1 . . . . 6 SER C . 25451 1 39 . 1 1 8 8 SER CA C 13 60.086 0.40 . 1 . . . . 6 SER CA . 25451 1 40 . 1 1 8 8 SER CB C 13 63.038 0.40 . 1 . . . . 6 SER CB . 25451 1 41 . 1 1 8 8 SER N N 15 110.409 0.40 . 1 . . . . 6 SER N . 25451 1 42 . 1 1 9 9 MET H H 1 7.787 0.04 . 1 . . . . 7 MET H . 25451 1 43 . 1 1 9 9 MET HA H 1 4.127 0.04 . 1 . . . . 7 MET HA . 25451 1 44 . 1 1 9 9 MET HB2 H 1 1.985 0.04 . 2 . . . . 7 MET HB . 25451 1 45 . 1 1 9 9 MET HB3 H 1 1.985 0.04 . 2 . . . . 7 MET HB . 25451 1 46 . 1 1 9 9 MET HG2 H 1 2.827 0.04 . 2 . . . . 7 MET HG2 . 25451 1 47 . 1 1 9 9 MET HG3 H 1 2.293 0.04 . 2 . . . . 7 MET HG3 . 25451 1 48 . 1 1 9 9 MET HE1 H 1 2.023 0.04 . 2 . . . . 7 MET HE . 25451 1 49 . 1 1 9 9 MET HE2 H 1 2.023 0.04 . 2 . . . . 7 MET HE . 25451 1 50 . 1 1 9 9 MET HE3 H 1 2.023 0.04 . 2 . . . . 7 MET HE . 25451 1 51 . 1 1 9 9 MET C C 13 180.461 0.40 . 1 . . . . 7 MET C . 25451 1 52 . 1 1 9 9 MET CA C 13 59.077 0.40 . 1 . . . . 7 MET CA . 25451 1 53 . 1 1 9 9 MET CB C 13 35.155 0.40 . 1 . . . . 7 MET CB . 25451 1 54 . 1 1 9 9 MET CG C 13 32.674 0.40 . 1 . . . . 7 MET CG . 25451 1 55 . 1 1 9 9 MET CE C 13 16.986 0.40 . 1 . . . . 7 MET CE . 25451 1 56 . 1 1 9 9 MET N N 15 122.213 0.40 . 1 . . . . 7 MET N . 25451 1 57 . 1 1 10 10 ILE H H 1 8.315 0.04 . 1 . . . . 8 ILE H . 25451 1 58 . 1 1 10 10 ILE HA H 1 3.762 0.04 . 1 . . . . 8 ILE HA . 25451 1 59 . 1 1 10 10 ILE HB H 1 1.620 0.04 . 1 . . . . 8 ILE HB . 25451 1 60 . 1 1 10 10 ILE HG12 H 1 1.128 0.04 . 2 . . . . 8 ILE HG12 . 25451 1 61 . 1 1 10 10 ILE HG13 H 1 1.128 0.04 . 2 . . . . 8 ILE HG13 . 25451 1 62 . 1 1 10 10 ILE HG21 H 1 0.639 0.04 . 1 . . . . 8 ILE HG2 . 25451 1 63 . 1 1 10 10 ILE HG22 H 1 0.639 0.04 . 1 . . . . 8 ILE HG2 . 25451 1 64 . 1 1 10 10 ILE HG23 H 1 0.639 0.04 . 1 . . . . 8 ILE HG2 . 25451 1 65 . 1 1 10 10 ILE HD11 H 1 0.135 0.04 . 1 . . . . 8 ILE HD1 . 25451 1 66 . 1 1 10 10 ILE HD12 H 1 0.135 0.04 . 1 . . . . 8 ILE HD1 . 25451 1 67 . 1 1 10 10 ILE HD13 H 1 0.135 0.04 . 1 . . . . 8 ILE HD1 . 25451 1 68 . 1 1 10 10 ILE C C 13 174.601 0.40 . 1 . . . . 8 ILE C . 25451 1 69 . 1 1 10 10 ILE CA C 13 65.223 0.40 . 1 . . . . 8 ILE CA . 25451 1 70 . 1 1 10 10 ILE CB C 13 37.906 0.40 . 1 . . . . 8 ILE CB . 25451 1 71 . 1 1 10 10 ILE CG1 C 13 25.203 0.40 . 1 . . . . 8 ILE CG1 . 25451 1 72 . 1 1 10 10 ILE CG2 C 13 14.631 0.40 . 1 . . . . 8 ILE CG2 . 25451 1 73 . 1 1 10 10 ILE CD1 C 13 16.346 0.40 . 1 . . . . 8 ILE CD1 . 25451 1 74 . 1 1 10 10 ILE N N 15 115.089 0.40 . 1 . . . . 8 ILE N . 25451 1 75 . 1 1 11 11 LYS H H 1 6.877 0.04 . 1 . . . . 9 LYS H . 25451 1 76 . 1 1 11 11 LYS HA H 1 4.509 0.04 . 1 . . . . 9 LYS HA . 25451 1 77 . 1 1 11 11 LYS HB2 H 1 1.985 0.04 . 2 . . . . 9 LYS HB2 . 25451 1 78 . 1 1 11 11 LYS HB3 H 1 1.686 0.04 . 2 . . . . 9 LYS HB3 . 25451 1 79 . 1 1 11 11 LYS HG2 H 1 1.424 0.04 . 2 . . . . 9 LYS HG . 25451 1 80 . 1 1 11 11 LYS HG3 H 1 1.424 0.04 . 2 . . . . 9 LYS HG . 25451 1 81 . 1 1 11 11 LYS HD2 H 1 1.529 0.04 . 2 . . . . 9 LYS HD . 25451 1 82 . 1 1 11 11 LYS HD3 H 1 1.529 0.04 . 2 . . . . 9 LYS HD . 25451 1 83 . 1 1 11 11 LYS HE2 H 1 2.980 0.04 . 2 . . . . 9 LYS HE . 25451 1 84 . 1 1 11 11 LYS HE3 H 1 2.980 0.04 . 2 . . . . 9 LYS HE . 25451 1 85 . 1 1 11 11 LYS C C 13 177.394 0.40 . 1 . . . . 9 LYS C . 25451 1 86 . 1 1 11 11 LYS CA C 13 55.409 0.40 . 1 . . . . 9 LYS CA . 25451 1 87 . 1 1 11 11 LYS CB C 13 32.403 0.40 . 1 . . . . 9 LYS CB . 25451 1 88 . 1 1 11 11 LYS CG C 13 24.859 0.40 . 1 . . . . 9 LYS CG . 25451 1 89 . 1 1 11 11 LYS CD C 13 28.912 0.40 . 1 . . . . 9 LYS CD . 25451 1 90 . 1 1 11 11 LYS CE C 13 41.743 0.40 . 1 . . . . 9 LYS CE . 25451 1 91 . 1 1 11 11 LYS N N 15 117.233 0.40 . 1 . . . . 9 LYS N . 25451 1 92 . 1 1 12 12 GLY H H 1 7.757 0.04 . 1 . . . . 10 GLY H . 25451 1 93 . 1 1 12 12 GLY HA2 H 1 3.911 0.04 . 2 . . . . 10 GLY HA2 . 25451 1 94 . 1 1 12 12 GLY HA3 H 1 3.679 0.04 . 2 . . . . 10 GLY HA3 . 25451 1 95 . 1 1 12 12 GLY C C 13 172.173 0.40 . 1 . . . . 10 GLY C . 25451 1 96 . 1 1 12 12 GLY CA C 13 46.236 0.40 . 1 . . . . 10 GLY CA . 25451 1 97 . 1 1 12 12 GLY N N 15 106.214 0.40 . 1 . . . . 10 GLY N . 25451 1 98 . 1 1 13 13 ASN H H 1 7.214 0.04 . 1 . . . . 11 ASN H . 25451 1 99 . 1 1 13 13 ASN HA H 1 4.592 0.04 . 1 . . . . 11 ASN HA . 25451 1 100 . 1 1 13 13 ASN HB2 H 1 2.632 0.04 . 2 . . . . 11 ASN HB2 . 25451 1 101 . 1 1 13 13 ASN HB3 H 1 2.508 0.04 . 2 . . . . 11 ASN HB3 . 25451 1 102 . 1 1 13 13 ASN HD21 H 1 7.003 0.04 . 2 . . . . 11 ASN HD21 . 25451 1 103 . 1 1 13 13 ASN HD22 H 1 7.743 0.04 . 2 . . . . 11 ASN HD22 . 25451 1 104 . 1 1 13 13 ASN C C 13 173.688 0.40 . 1 . . . . 11 ASN C . 25451 1 105 . 1 1 13 13 ASN CA C 13 50.089 0.40 . 1 . . . . 11 ASN CA . 25451 1 106 . 1 1 13 13 ASN CB C 13 41.025 0.40 . 1 . . . . 11 ASN CB . 25451 1 107 . 1 1 13 13 ASN N N 15 115.482 0.40 . 1 . . . . 11 ASN N . 25451 1 108 . 1 1 13 13 ASN ND2 N 15 112.964 0.40 . 1 . . . . 11 ASN ND2 . 25451 1 109 . 1 1 14 14 LYS H H 1 8.351 0.04 . 1 . . . . 12 LYS H . 25451 1 110 . 1 1 14 14 LYS HA H 1 4.069 0.04 . 1 . . . . 12 LYS HA . 25451 1 111 . 1 1 14 14 LYS HB2 H 1 2.217 0.04 . 2 . . . . 12 LYS HB2 . 25451 1 112 . 1 1 14 14 LYS HB3 H 1 2.085 0.04 . 2 . . . . 12 LYS HB3 . 25451 1 113 . 1 1 14 14 LYS HG2 H 1 1.452 0.04 . 2 . . . . 12 LYS HG2 . 25451 1 114 . 1 1 14 14 LYS HG3 H 1 1.710 0.04 . 2 . . . . 12 LYS HG3 . 25451 1 115 . 1 1 14 14 LYS HD2 H 1 1.911 0.04 . 2 . . . . 12 LYS HD . 25451 1 116 . 1 1 14 14 LYS HD3 H 1 1.911 0.04 . 2 . . . . 12 LYS HD . 25451 1 117 . 1 1 14 14 LYS HE2 H 1 3.095 0.04 . 2 . . . . 12 LYS HE . 25451 1 118 . 1 1 14 14 LYS HE3 H 1 3.095 0.04 . 2 . . . . 12 LYS HE . 25451 1 119 . 1 1 14 14 LYS C C 13 176.153 0.40 . 1 . . . . 12 LYS C . 25451 1 120 . 1 1 14 14 LYS CA C 13 59.903 0.40 . 1 . . . . 12 LYS CA . 25451 1 121 . 1 1 14 14 LYS CB C 13 31.670 0.40 . 1 . . . . 12 LYS CB . 25451 1 122 . 1 1 14 14 LYS CG C 13 23.991 0.40 . 1 . . . . 12 LYS CG . 25451 1 123 . 1 1 14 14 LYS CD C 13 29.201 0.40 . 1 . . . . 12 LYS CD . 25451 1 124 . 1 1 14 14 LYS CE C 13 41.550 0.40 . 1 . . . . 12 LYS CE . 25451 1 125 . 1 1 14 14 LYS N N 15 122.113 0.40 . 1 . . . . 12 LYS N . 25451 1 126 . 1 1 15 15 VAL H H 1 8.021 0.04 . 1 . . . . 13 VAL H . 25451 1 127 . 1 1 15 15 VAL HA H 1 5.024 0.04 . 1 . . . . 13 VAL HA . 25451 1 128 . 1 1 15 15 VAL HB H 1 1.902 0.04 . 1 . . . . 13 VAL HB . 25451 1 129 . 1 1 15 15 VAL HG11 H 1 0.822 0.04 . 2 . . . . 13 VAL HG1 . 25451 1 130 . 1 1 15 15 VAL HG12 H 1 0.822 0.04 . 2 . . . . 13 VAL HG1 . 25451 1 131 . 1 1 15 15 VAL HG13 H 1 0.822 0.04 . 2 . . . . 13 VAL HG1 . 25451 1 132 . 1 1 15 15 VAL HG21 H 1 0.822 0.04 . 2 . . . . 13 VAL HG2 . 25451 1 133 . 1 1 15 15 VAL HG22 H 1 0.822 0.04 . 2 . . . . 13 VAL HG2 . 25451 1 134 . 1 1 15 15 VAL HG23 H 1 0.822 0.04 . 2 . . . . 13 VAL HG2 . 25451 1 135 . 1 1 15 15 VAL C C 13 174.163 0.40 . 1 . . . . 13 VAL C . 25451 1 136 . 1 1 15 15 VAL CA C 13 60.270 0.40 . 1 . . . . 13 VAL CA . 25451 1 137 . 1 1 15 15 VAL CB C 13 32.862 0.40 . 1 . . . . 13 VAL CB . 25451 1 138 . 1 1 15 15 VAL CG1 C 13 22.640 0.40 . 2 . . . . 13 VAL CG1 . 25451 1 139 . 1 1 15 15 VAL CG2 C 13 22.640 0.40 . 2 . . . . 13 VAL CG2 . 25451 1 140 . 1 1 15 15 VAL N N 15 117.530 0.40 . 1 . . . . 13 VAL N . 25451 1 141 . 1 1 16 16 VAL H H 1 8.909 0.04 . 1 . . . . 14 VAL H . 25451 1 142 . 1 1 16 16 VAL HA H 1 4.891 0.04 . 1 . . . . 14 VAL HA . 25451 1 143 . 1 1 16 16 VAL HB H 1 1.769 0.04 . 1 . . . . 14 VAL HB . 25451 1 144 . 1 1 16 16 VAL HG11 H 1 0.860 0.04 . 2 . . . . 14 VAL HG1 . 25451 1 145 . 1 1 16 16 VAL HG12 H 1 0.860 0.04 . 2 . . . . 14 VAL HG1 . 25451 1 146 . 1 1 16 16 VAL HG13 H 1 0.860 0.04 . 2 . . . . 14 VAL HG1 . 25451 1 147 . 1 1 16 16 VAL HG21 H 1 0.555 0.04 . 2 . . . . 14 VAL HG2 . 25451 1 148 . 1 1 16 16 VAL HG22 H 1 0.555 0.04 . 2 . . . . 14 VAL HG2 . 25451 1 149 . 1 1 16 16 VAL HG23 H 1 0.555 0.04 . 2 . . . . 14 VAL HG2 . 25451 1 150 . 1 1 16 16 VAL C C 13 173.542 0.40 . 1 . . . . 14 VAL C . 25451 1 151 . 1 1 16 16 VAL CA C 13 61.279 0.40 . 1 . . . . 14 VAL CA . 25451 1 152 . 1 1 16 16 VAL CB C 13 35.338 0.40 . 1 . . . . 14 VAL CB . 25451 1 153 . 1 1 16 16 VAL CG1 C 13 21.676 0.40 . 2 . . . . 14 VAL CG1 . 25451 1 154 . 1 1 16 16 VAL CG2 C 13 21.676 0.40 . 2 . . . . 14 VAL CG2 . 25451 1 155 . 1 1 16 16 VAL N N 15 128.684 0.40 . 1 . . . . 14 VAL N . 25451 1 156 . 1 1 17 17 VAL H H 1 8.359 0.04 . 1 . . . . 15 VAL H . 25451 1 157 . 1 1 17 17 VAL HA H 1 5.015 0.04 . 1 . . . . 15 VAL HA . 25451 1 158 . 1 1 17 17 VAL HB H 1 1.777 0.04 . 1 . . . . 15 VAL HB . 25451 1 159 . 1 1 17 17 VAL HG11 H 1 0.889 0.04 . 2 . . . . 15 VAL HG1 . 25451 1 160 . 1 1 17 17 VAL HG12 H 1 0.889 0.04 . 2 . . . . 15 VAL HG1 . 25451 1 161 . 1 1 17 17 VAL HG13 H 1 0.889 0.04 . 2 . . . . 15 VAL HG1 . 25451 1 162 . 1 1 17 17 VAL HG21 H 1 0.698 0.04 . 2 . . . . 15 VAL HG2 . 25451 1 163 . 1 1 17 17 VAL HG22 H 1 0.698 0.04 . 2 . . . . 15 VAL HG2 . 25451 1 164 . 1 1 17 17 VAL HG23 H 1 0.698 0.04 . 2 . . . . 15 VAL HG2 . 25451 1 165 . 1 1 17 17 VAL C C 13 173.213 0.40 . 1 . . . . 15 VAL C . 25451 1 166 . 1 1 17 17 VAL CA C 13 59.811 0.40 . 1 . . . . 15 VAL CA . 25451 1 167 . 1 1 17 17 VAL CB C 13 35.613 0.40 . 1 . . . . 15 VAL CB . 25451 1 168 . 1 1 17 17 VAL CG1 C 13 22.351 0.40 . 2 . . . . 15 VAL CG1 . 25451 1 169 . 1 1 17 17 VAL CG2 C 13 22.351 0.40 . 2 . . . . 15 VAL CG2 . 25451 1 170 . 1 1 17 17 VAL N N 15 126.894 0.40 . 1 . . . . 15 VAL N . 25451 1 171 . 1 1 18 18 PHE H H 1 9.015 0.04 . 1 . . . . 16 PHE H . 25451 1 172 . 1 1 18 18 PHE HA H 1 5.414 0.04 . 1 . . . . 16 PHE HA . 25451 1 173 . 1 1 18 18 PHE HB2 H 1 3.230 0.04 . 2 . . . . 16 PHE HB2 . 25451 1 174 . 1 1 18 18 PHE HB3 H 1 2.898 0.04 . 2 . . . . 16 PHE HB3 . 25451 1 175 . 1 1 18 18 PHE HD1 H 1 7.358 0.04 . 3 . . . . 16 PHE HD . 25451 1 176 . 1 1 18 18 PHE HD2 H 1 7.358 0.04 . 3 . . . . 16 PHE HD . 25451 1 177 . 1 1 18 18 PHE HE1 H 1 6.970 0.04 . 3 . . . . 16 PHE HE . 25451 1 178 . 1 1 18 18 PHE HE2 H 1 6.970 0.04 . 3 . . . . 16 PHE HE . 25451 1 179 . 1 1 18 18 PHE HZ H 1 6.786 0.04 . 1 . . . . 16 PHE HZ . 25451 1 180 . 1 1 18 18 PHE C C 13 174.984 0.40 . 1 . . . . 16 PHE C . 25451 1 181 . 1 1 18 18 PHE CA C 13 57.059 0.40 . 1 . . . . 16 PHE CA . 25451 1 182 . 1 1 18 18 PHE CB C 13 39.466 0.40 . 1 . . . . 16 PHE CB . 25451 1 183 . 1 1 18 18 PHE CD1 C 13 131.602 0.40 . 3 . . . . 16 PHE CD1 . 25451 1 184 . 1 1 18 18 PHE CE1 C 13 131.299 0.40 . 3 . . . . 16 PHE CE1 . 25451 1 185 . 1 1 18 18 PHE CZ C 13 128.428 0.40 . 1 . . . . 16 PHE CZ . 25451 1 186 . 1 1 18 18 PHE N N 15 125.777 0.40 . 1 . . . . 16 PHE N . 25451 1 187 . 1 1 19 19 SER H H 1 9.137 0.04 . 1 . . . . 17 SER H . 25451 1 188 . 1 1 19 19 SER HA H 1 5.215 0.04 . 1 . . . . 17 SER HA . 25451 1 189 . 1 1 19 19 SER HB2 H 1 3.861 0.04 . 2 . . . . 17 SER HB2 . 25451 1 190 . 1 1 19 19 SER HB3 H 1 3.305 0.04 . 2 . . . . 17 SER HB3 . 25451 1 191 . 1 1 19 19 SER C C 13 173.159 0.40 . 1 . . . . 17 SER C . 25451 1 192 . 1 1 19 19 SER CA C 13 57.793 0.40 . 1 . . . . 17 SER CA . 25451 1 193 . 1 1 19 19 SER CB C 13 69.642 0.40 . 1 . . . . 17 SER CB . 25451 1 194 . 1 1 19 19 SER N N 15 120.650 0.40 . 1 . . . . 17 SER N . 25451 1 195 . 1 1 20 20 TRP H H 1 8.520 0.04 . 1 . . . . 18 TRP H . 25451 1 196 . 1 1 20 20 TRP HA H 1 5.945 0.04 . 1 . . . . 18 TRP HA . 25451 1 197 . 1 1 20 20 TRP HB2 H 1 3.304 0.04 . 2 . . . . 18 TRP HB2 . 25451 1 198 . 1 1 20 20 TRP HB3 H 1 3.256 0.04 . 2 . . . . 18 TRP HB3 . 25451 1 199 . 1 1 20 20 TRP HD1 H 1 7.360 0.04 . 1 . . . . 18 TRP HD1 . 25451 1 200 . 1 1 20 20 TRP HE1 H 1 10.066 0.04 . 1 . . . . 18 TRP HE1 . 25451 1 201 . 1 1 20 20 TRP HE3 H 1 7.536 0.04 . 1 . . . . 18 TRP HE3 . 25451 1 202 . 1 1 20 20 TRP HZ2 H 1 7.472 0.04 . 1 . . . . 18 TRP HZ2 . 25451 1 203 . 1 1 20 20 TRP HZ3 H 1 7.207 0.04 . 1 . . . . 18 TRP HZ3 . 25451 1 204 . 1 1 20 20 TRP HH2 H 1 7.297 0.04 . 1 . . . . 18 TRP HH2 . 25451 1 205 . 1 1 20 20 TRP C C 13 177.650 0.40 . 1 . . . . 18 TRP C . 25451 1 206 . 1 1 20 20 TRP CA C 13 53.941 0.40 . 1 . . . . 18 TRP CA . 25451 1 207 . 1 1 20 20 TRP CB C 13 33.320 0.40 . 1 . . . . 18 TRP CB . 25451 1 208 . 1 1 20 20 TRP CD1 C 13 124.316 0.40 . 1 . . . . 18 TRP CD1 . 25451 1 209 . 1 1 20 20 TRP CE3 C 13 121.096 0.40 . 1 . . . . 18 TRP CE3 . 25451 1 210 . 1 1 20 20 TRP CZ2 C 13 114.313 0.40 . 1 . . . . 18 TRP CZ2 . 25451 1 211 . 1 1 20 20 TRP CZ3 C 13 122.040 0.40 . 1 . . . . 18 TRP CZ3 . 25451 1 212 . 1 1 20 20 TRP CH2 C 13 124.795 0.40 . 1 . . . . 18 TRP CH2 . 25451 1 213 . 1 1 20 20 TRP N N 15 122.600 0.40 . 1 . . . . 18 TRP N . 25451 1 214 . 1 1 20 20 TRP NE1 N 15 125.484 0.40 . 1 . . . . 18 TRP NE1 . 25451 1 215 . 1 1 21 21 VAL H H 1 9.956 0.04 . 1 . . . . 19 VAL H . 25451 1 216 . 1 1 21 21 VAL HA H 1 3.713 0.04 . 1 . . . . 19 VAL HA . 25451 1 217 . 1 1 21 21 VAL HB H 1 1.840 0.04 . 1 . . . . 19 VAL HB . 25451 1 218 . 1 1 21 21 VAL HG11 H 1 0.726 0.04 . 2 . . . . 19 VAL HG1 . 25451 1 219 . 1 1 21 21 VAL HG12 H 1 0.726 0.04 . 2 . . . . 19 VAL HG1 . 25451 1 220 . 1 1 21 21 VAL HG13 H 1 0.726 0.04 . 2 . . . . 19 VAL HG1 . 25451 1 221 . 1 1 21 21 VAL HG21 H 1 0.693 0.04 . 2 . . . . 19 VAL HG2 . 25451 1 222 . 1 1 21 21 VAL HG22 H 1 0.693 0.04 . 2 . . . . 19 VAL HG2 . 25451 1 223 . 1 1 21 21 VAL HG23 H 1 0.693 0.04 . 2 . . . . 19 VAL HG2 . 25451 1 224 . 1 1 21 21 VAL C C 13 176.828 0.40 . 1 . . . . 19 VAL C . 25451 1 225 . 1 1 21 21 VAL CA C 13 65.314 0.40 . 1 . . . . 19 VAL CA . 25451 1 226 . 1 1 21 21 VAL CB C 13 32.403 0.40 . 1 . . . . 19 VAL CB . 25451 1 227 . 1 1 21 21 VAL CG1 C 13 21.040 0.40 . 2 . . . . 19 VAL CG1 . 25451 1 228 . 1 1 21 21 VAL CG2 C 13 22.010 0.40 . 2 . . . . 19 VAL CG2 . 25451 1 229 . 1 1 21 21 VAL N N 15 124.944 0.40 . 1 . . . . 19 VAL N . 25451 1 230 . 1 1 22 22 THR HA H 1 4.219 0.04 . 1 . . . . 20 THR HA . 25451 1 231 . 1 1 22 22 THR HB H 1 4.557 0.04 . 1 . . . . 20 THR HB . 25451 1 232 . 1 1 22 22 THR HG21 H 1 1.166 0.04 . 2 . . . . 20 THR HG2 . 25451 1 233 . 1 1 22 22 THR HG22 H 1 1.166 0.04 . 2 . . . . 20 THR HG2 . 25451 1 234 . 1 1 22 22 THR HG23 H 1 1.166 0.04 . 2 . . . . 20 THR HG2 . 25451 1 235 . 1 1 22 22 THR C C 13 173.889 0.40 . 1 . . . . 20 THR C . 25451 1 236 . 1 1 22 22 THR CA C 13 60.692 0.40 . 1 . . . . 20 THR CA . 25451 1 237 . 1 1 22 22 THR CB C 13 69.349 0.40 . 1 . . . . 20 THR CB . 25451 1 238 . 1 1 22 22 THR CG2 C 13 21.965 0.40 . 1 . . . . 20 THR CG2 . 25451 1 239 . 1 1 23 23 CYS H H 1 7.013 0.04 . 1 . . . . 21 CYS H . 25451 1 240 . 1 1 23 23 CYS HA H 1 5.030 0.04 . 1 . . . . 21 CYS HA . 25451 1 241 . 1 1 23 23 CYS HB2 H 1 3.111 0.04 . 2 . . . . 21 CYS HB2 . 25451 1 242 . 1 1 23 23 CYS HB3 H 1 3.315 0.04 . 2 . . . . 21 CYS HB3 . 25451 1 243 . 1 1 23 23 CYS C C 13 174.674 0.40 . 1 . . . . 21 CYS C . 25451 1 244 . 1 1 23 23 CYS CA C 13 56.326 0.40 . 1 . . . . 21 CYS CA . 25451 1 245 . 1 1 23 23 CYS CB C 13 32.403 0.40 . 1 . . . . 21 CYS CB . 25451 1 246 . 1 1 23 23 CYS N N 15 127.769 0.40 . 1 . . . . 21 CYS N . 25451 1 247 . 1 1 24 24 PRO HA H 1 4.301 0.04 . 1 . . . . 22 PRO HA . 25451 1 248 . 1 1 24 24 PRO HB2 H 1 2.242 0.04 . 2 . . . . 22 PRO HB2 . 25451 1 249 . 1 1 24 24 PRO HB3 H 1 1.661 0.04 . 2 . . . . 22 PRO HB3 . 25451 1 250 . 1 1 24 24 PRO HG2 H 1 2.025 0.04 . 2 . . . . 22 PRO HG . 25451 1 251 . 1 1 24 24 PRO HG3 H 1 2.025 0.04 . 2 . . . . 22 PRO HG . 25451 1 252 . 1 1 24 24 PRO HD2 H 1 4.030 0.04 . 2 . . . . 22 PRO HD . 25451 1 253 . 1 1 24 24 PRO HD3 H 1 4.030 0.04 . 2 . . . . 22 PRO HD . 25451 1 254 . 1 1 24 24 PRO C C 13 179.822 0.40 . 1 . . . . 22 PRO C . 25451 1 255 . 1 1 24 24 PRO CA C 13 64.397 0.40 . 1 . . . . 22 PRO CA . 25451 1 256 . 1 1 24 24 PRO CB C 13 32.312 0.40 . 1 . . . . 22 PRO CB . 25451 1 257 . 1 1 24 24 PRO CG C 13 26.789 0.40 . 1 . . . . 22 PRO CG . 25451 1 258 . 1 1 24 24 PRO CD C 13 51.295 0.40 . 1 . . . . 22 PRO CD . 25451 1 259 . 1 1 25 25 TYR H H 1 9.569 0.04 . 1 . . . . 23 TYR H . 25451 1 260 . 1 1 25 25 TYR HA H 1 4.310 0.04 . 1 . . . . 23 TYR HA . 25451 1 261 . 1 1 25 25 TYR HB2 H 1 3.272 0.04 . 2 . . . . 23 TYR HB2 . 25451 1 262 . 1 1 25 25 TYR HB3 H 1 3.106 0.04 . 2 . . . . 23 TYR HB3 . 25451 1 263 . 1 1 25 25 TYR HD1 H 1 7.343 0.04 . 3 . . . . 23 TYR HD . 25451 1 264 . 1 1 25 25 TYR HD2 H 1 7.343 0.04 . 3 . . . . 23 TYR HD . 25451 1 265 . 1 1 25 25 TYR HE1 H 1 6.950 0.04 . 3 . . . . 23 TYR HE . 25451 1 266 . 1 1 25 25 TYR HE2 H 1 6.950 0.04 . 3 . . . . 23 TYR HE . 25451 1 267 . 1 1 25 25 TYR C C 13 178.252 0.40 . 1 . . . . 23 TYR C . 25451 1 268 . 1 1 25 25 TYR CA C 13 61.645 0.40 . 1 . . . . 23 TYR CA . 25451 1 269 . 1 1 25 25 TYR CB C 13 37.906 0.40 . 1 . . . . 23 TYR CB . 25451 1 270 . 1 1 25 25 TYR CD1 C 13 133.085 0.40 . 3 . . . . 23 TYR CD1 . 25451 1 271 . 1 1 25 25 TYR CE1 C 13 118.459 0.40 . 3 . . . . 23 TYR CE1 . 25451 1 272 . 1 1 25 25 TYR N N 15 126.890 0.40 . 1 . . . . 23 TYR N . 25451 1 273 . 1 1 26 26 CYS H H 1 9.239 0.04 . 1 . . . . 24 CYS H . 25451 1 274 . 1 1 26 26 CYS HA H 1 4.019 0.04 . 1 . . . . 24 CYS HA . 25451 1 275 . 1 1 26 26 CYS HB2 H 1 3.745 0.04 . 2 . . . . 24 CYS HB2 . 25451 1 276 . 1 1 26 26 CYS HB3 H 1 3.330 0.04 . 2 . . . . 24 CYS HB3 . 25451 1 277 . 1 1 26 26 CYS C C 13 176.262 0.40 . 1 . . . . 24 CYS C . 25451 1 278 . 1 1 26 26 CYS CA C 13 64.489 0.40 . 1 . . . . 24 CYS CA . 25451 1 279 . 1 1 26 26 CYS CB C 13 28.368 0.40 . 1 . . . . 24 CYS CB . 25451 1 280 . 1 1 26 26 CYS N N 15 128.064 0.40 . 1 . . . . 24 CYS N . 25451 1 281 . 1 1 27 27 VAL H H 1 8.402 0.04 . 1 . . . . 25 VAL H . 25451 1 282 . 1 1 27 27 VAL HA H 1 3.587 0.04 . 1 . . . . 25 VAL HA . 25451 1 283 . 1 1 27 27 VAL HB H 1 1.993 0.04 . 1 . . . . 25 VAL HB . 25451 1 284 . 1 1 27 27 VAL HG11 H 1 1.109 0.04 . 2 . . . . 25 VAL HG1 . 25451 1 285 . 1 1 27 27 VAL HG12 H 1 1.109 0.04 . 2 . . . . 25 VAL HG1 . 25451 1 286 . 1 1 27 27 VAL HG13 H 1 1.109 0.04 . 2 . . . . 25 VAL HG1 . 25451 1 287 . 1 1 27 27 VAL HG21 H 1 0.946 0.04 . 2 . . . . 25 VAL HG2 . 25451 1 288 . 1 1 27 27 VAL HG22 H 1 0.946 0.04 . 2 . . . . 25 VAL HG2 . 25451 1 289 . 1 1 27 27 VAL HG23 H 1 0.946 0.04 . 2 . . . . 25 VAL HG2 . 25451 1 290 . 1 1 27 27 VAL C C 13 178.234 0.40 . 1 . . . . 25 VAL C . 25451 1 291 . 1 1 27 27 VAL CA C 13 66.690 0.40 . 1 . . . . 25 VAL CA . 25451 1 292 . 1 1 27 27 VAL CB C 13 32.220 0.40 . 1 . . . . 25 VAL CB . 25451 1 293 . 1 1 27 27 VAL CG1 C 13 22.640 0.40 . 2 . . . . 25 VAL CG1 . 25451 1 294 . 1 1 27 27 VAL CG2 C 13 21.097 0.40 . 2 . . . . 25 VAL CG2 . 25451 1 295 . 1 1 27 27 VAL N N 15 121.134 0.40 . 1 . . . . 25 VAL N . 25451 1 296 . 1 1 28 28 ARG H H 1 7.655 0.04 . 1 . . . . 26 ARG H . 25451 1 297 . 1 1 28 28 ARG HA H 1 3.961 0.04 . 1 . . . . 26 ARG HA . 25451 1 298 . 1 1 28 28 ARG HB2 H 1 2.018 0.04 . 2 . . . . 26 ARG HB . 25451 1 299 . 1 1 28 28 ARG HB3 H 1 2.018 0.04 . 2 . . . . 26 ARG HB . 25451 1 300 . 1 1 28 28 ARG HG2 H 1 1.710 0.04 . 2 . . . . 26 ARG HG2 . 25451 1 301 . 1 1 28 28 ARG HG3 H 1 1.548 0.04 . 2 . . . . 26 ARG HG3 . 25451 1 302 . 1 1 28 28 ARG HD2 H 1 3.171 0.04 . 2 . . . . 26 ARG HD . 25451 1 303 . 1 1 28 28 ARG HD3 H 1 3.171 0.04 . 2 . . . . 26 ARG HD . 25451 1 304 . 1 1 28 28 ARG C C 13 178.362 0.40 . 1 . . . . 26 ARG C . 25451 1 305 . 1 1 28 28 ARG CA C 13 59.536 0.40 . 1 . . . . 26 ARG CA . 25451 1 306 . 1 1 28 28 ARG CB C 13 30.752 0.40 . 1 . . . . 26 ARG CB . 25451 1 307 . 1 1 28 28 ARG CG C 13 27.271 0.40 . 1 . . . . 26 ARG CG . 25451 1 308 . 1 1 28 28 ARG CD C 13 43.962 0.40 . 1 . . . . 26 ARG CD . 25451 1 309 . 1 1 28 28 ARG N N 15 119.766 0.40 . 1 . . . . 26 ARG N . 25451 1 310 . 1 1 29 29 ALA H H 1 8.175 0.04 . 1 . . . . 27 ALA H . 25451 1 311 . 1 1 29 29 ALA HA H 1 4.011 0.04 . 1 . . . . 27 ALA HA . 25451 1 312 . 1 1 29 29 ALA HB1 H 1 1.437 0.04 . 1 . . . . 27 ALA HB . 25451 1 313 . 1 1 29 29 ALA HB2 H 1 1.437 0.04 . 1 . . . . 27 ALA HB . 25451 1 314 . 1 1 29 29 ALA HB3 H 1 1.437 0.04 . 1 . . . . 27 ALA HB . 25451 1 315 . 1 1 29 29 ALA C C 13 178.526 0.40 . 1 . . . . 27 ALA C . 25451 1 316 . 1 1 29 29 ALA CA C 13 55.042 0.40 . 1 . . . . 27 ALA CA . 25451 1 317 . 1 1 29 29 ALA CB C 13 18.737 0.40 . 1 . . . . 27 ALA CB . 25451 1 318 . 1 1 29 29 ALA N N 15 122.404 0.40 . 1 . . . . 27 ALA N . 25451 1 319 . 1 1 30 30 GLU H H 1 8.689 0.04 . 1 . . . . 28 GLU H . 25451 1 320 . 1 1 30 30 GLU HA H 1 3.537 0.04 . 1 . . . . 28 GLU HA . 25451 1 321 . 1 1 30 30 GLU HB2 H 1 2.168 0.04 . 2 . . . . 28 GLU HB . 25451 1 322 . 1 1 30 30 GLU HB3 H 1 2.168 0.04 . 2 . . . . 28 GLU HB . 25451 1 323 . 1 1 30 30 GLU HG2 H 1 2.445 0.04 . 2 . . . . 28 GLU HG2 . 25451 1 324 . 1 1 30 30 GLU HG3 H 1 1.949 0.04 . 2 . . . . 28 GLU HG3 . 25451 1 325 . 1 1 30 30 GLU C C 13 177.650 0.40 . 1 . . . . 28 GLU C . 25451 1 326 . 1 1 30 30 GLU CA C 13 60.545 0.40 . 1 . . . . 28 GLU CA . 25451 1 327 . 1 1 30 30 GLU CB C 13 29.652 0.40 . 1 . . . . 28 GLU CB . 25451 1 328 . 1 1 30 30 GLU CG C 13 38.367 0.40 . 1 . . . . 28 GLU CG . 25451 1 329 . 1 1 30 30 GLU N N 15 117.231 0.40 . 1 . . . . 28 GLU N . 25451 1 330 . 1 1 31 31 LYS H H 1 8.359 0.04 . 1 . . . . 29 LYS H . 25451 1 331 . 1 1 31 31 LYS HA H 1 4.036 0.04 . 1 . . . . 29 LYS HA . 25451 1 332 . 1 1 31 31 LYS HB2 H 1 1.935 0.04 . 2 . . . . 29 LYS HB2 . 25451 1 333 . 1 1 31 31 LYS HB3 H 1 1.860 0.04 . 2 . . . . 29 LYS HB3 . 25451 1 334 . 1 1 31 31 LYS HG2 H 1 1.424 0.04 . 2 . . . . 29 LYS HG . 25451 1 335 . 1 1 31 31 LYS HG3 H 1 1.424 0.04 . 2 . . . . 29 LYS HG . 25451 1 336 . 1 1 31 31 LYS HD2 H 1 1.634 0.04 . 2 . . . . 29 LYS HD . 25451 1 337 . 1 1 31 31 LYS HD3 H 1 1.634 0.04 . 2 . . . . 29 LYS HD . 25451 1 338 . 1 1 31 31 LYS HE2 H 1 2.923 0.04 . 2 . . . . 29 LYS HE . 25451 1 339 . 1 1 31 31 LYS HE3 H 1 2.923 0.04 . 2 . . . . 29 LYS HE . 25451 1 340 . 1 1 31 31 LYS C C 13 179.366 0.40 . 1 . . . . 29 LYS C . 25451 1 341 . 1 1 31 31 LYS CA C 13 59.719 0.40 . 1 . . . . 29 LYS CA . 25451 1 342 . 1 1 31 31 LYS CB C 13 32.678 0.40 . 1 . . . . 29 LYS CB . 25451 1 343 . 1 1 31 31 LYS CG C 13 25.342 0.40 . 1 . . . . 29 LYS CG . 25451 1 344 . 1 1 31 31 LYS CD C 13 29.394 0.40 . 1 . . . . 29 LYS CD . 25451 1 345 . 1 1 31 31 LYS CE C 13 42.033 0.40 . 1 . . . . 29 LYS CE . 25451 1 346 . 1 1 31 31 LYS N N 15 119.677 0.40 . 1 . . . . 29 LYS N . 25451 1 347 . 1 1 32 32 LEU H H 1 7.610 0.04 . 1 . . . . 30 LEU H . 25451 1 348 . 1 1 32 32 LEU HA H 1 4.052 0.04 . 1 . . . . 30 LEU HA . 25451 1 349 . 1 1 32 32 LEU HB2 H 1 1.811 0.04 . 2 . . . . 30 LEU HB2 . 25451 1 350 . 1 1 32 32 LEU HB3 H 1 1.669 0.04 . 2 . . . . 30 LEU HB3 . 25451 1 351 . 1 1 32 32 LEU HG H 1 1.605 0.04 . 1 . . . . 30 LEU HG . 25451 1 352 . 1 1 32 32 LEU HD11 H 1 0.822 0.04 . 2 . . . . 30 LEU HD1 . 25451 1 353 . 1 1 32 32 LEU HD12 H 1 0.822 0.04 . 2 . . . . 30 LEU HD1 . 25451 1 354 . 1 1 32 32 LEU HD13 H 1 0.822 0.04 . 2 . . . . 30 LEU HD1 . 25451 1 355 . 1 1 32 32 LEU HD21 H 1 0.708 0.04 . 2 . . . . 30 LEU HD2 . 25451 1 356 . 1 1 32 32 LEU HD22 H 1 0.708 0.04 . 2 . . . . 30 LEU HD2 . 25451 1 357 . 1 1 32 32 LEU HD23 H 1 0.708 0.04 . 2 . . . . 30 LEU HD2 . 25451 1 358 . 1 1 32 32 LEU C C 13 178.818 0.40 . 1 . . . . 30 LEU C . 25451 1 359 . 1 1 32 32 LEU CA C 13 58.435 0.40 . 1 . . . . 30 LEU CA . 25451 1 360 . 1 1 32 32 LEU CB C 13 42.309 0.40 . 1 . . . . 30 LEU CB . 25451 1 361 . 1 1 32 32 LEU CG C 13 27.657 0.40 . 1 . . . . 30 LEU CG . 25451 1 362 . 1 1 32 32 LEU CD1 C 13 24.956 0.40 . 2 . . . . 30 LEU CD1 . 25451 1 363 . 1 1 32 32 LEU CD2 C 13 24.088 0.40 . 2 . . . . 30 LEU CD2 . 25451 1 364 . 1 1 32 32 LEU N N 15 121.227 0.40 . 1 . . . . 30 LEU N . 25451 1 365 . 1 1 33 33 LEU H H 1 7.904 0.04 . 1 . . . . 31 LEU H . 25451 1 366 . 1 1 33 33 LEU HA H 1 3.762 0.04 . 1 . . . . 31 LEU HA . 25451 1 367 . 1 1 33 33 LEU HB2 H 1 1.669 0.04 . 2 . . . . 31 LEU HB2 . 25451 1 368 . 1 1 33 33 LEU HB3 H 1 1.030 0.04 . 2 . . . . 31 LEU HB3 . 25451 1 369 . 1 1 33 33 LEU HG H 1 0.603 0.04 . 1 . . . . 31 LEU HG . 25451 1 370 . 1 1 33 33 LEU HD11 H 1 0.727 0.04 . 2 . . . . 31 LEU HD . 25451 1 371 . 1 1 33 33 LEU HD12 H 1 0.727 0.04 . 2 . . . . 31 LEU HD . 25451 1 372 . 1 1 33 33 LEU HD13 H 1 0.727 0.04 . 2 . . . . 31 LEU HD . 25451 1 373 . 1 1 33 33 LEU HD21 H 1 0.727 0.04 . 2 . . . . 31 LEU HD . 25451 1 374 . 1 1 33 33 LEU HD22 H 1 0.727 0.04 . 2 . . . . 31 LEU HD . 25451 1 375 . 1 1 33 33 LEU HD23 H 1 0.727 0.04 . 2 . . . . 31 LEU HD . 25451 1 376 . 1 1 33 33 LEU C C 13 178.854 0.40 . 1 . . . . 31 LEU C . 25451 1 377 . 1 1 33 33 LEU CA C 13 58.344 0.40 . 1 . . . . 31 LEU CA . 25451 1 378 . 1 1 33 33 LEU CB C 13 42.584 0.40 . 1 . . . . 31 LEU CB . 25451 1 379 . 1 1 33 33 LEU CG C 13 25.824 0.40 . 1 . . . . 31 LEU CG . 25451 1 380 . 1 1 33 33 LEU CD1 C 13 22.544 0.40 . 2 . . . . 31 LEU CD1 . 25451 1 381 . 1 1 33 33 LEU CD2 C 13 22.544 0.40 . 2 . . . . 31 LEU CD2 . 25451 1 382 . 1 1 33 33 LEU N N 15 118.200 0.40 . 1 . . . . 31 LEU N . 25451 1 383 . 1 1 34 34 HIS H H 1 8.876 0.04 . 1 . . . . 32 HIS H . 25451 1 384 . 1 1 34 34 HIS HA H 1 4.633 0.04 . 1 . . . . 32 HIS HA . 25451 1 385 . 1 1 34 34 HIS HB2 H 1 3.106 0.04 . 2 . . . . 32 HIS HB . 25451 1 386 . 1 1 34 34 HIS HB3 H 1 3.106 0.04 . 2 . . . . 32 HIS HB . 25451 1 387 . 1 1 34 34 HIS HD2 H 1 6.984 0.04 . 1 . . . . 32 HIS HD2 . 25451 1 388 . 1 1 34 34 HIS C C 13 176.499 0.40 . 1 . . . . 32 HIS C . 25451 1 389 . 1 1 34 34 HIS CA C 13 59.352 0.40 . 1 . . . . 32 HIS CA . 25451 1 390 . 1 1 34 34 HIS CB C 13 30.202 0.40 . 1 . . . . 32 HIS CB . 25451 1 391 . 1 1 34 34 HIS CD2 C 13 118.334 0.40 . 1 . . . . 32 HIS CD2 . 25451 1 392 . 1 1 34 34 HIS N N 15 118.019 0.40 . 1 . . . . 32 HIS N . 25451 1 393 . 1 1 35 35 ALA H H 1 7.229 0.04 . 1 . . . . 33 ALA H . 25451 1 394 . 1 1 35 35 ALA HA H 1 4.285 0.04 . 1 . . . . 33 ALA HA . 25451 1 395 . 1 1 35 35 ALA HB1 H 1 1.528 0.04 . 1 . . . . 33 ALA HB . 25451 1 396 . 1 1 35 35 ALA HB2 H 1 1.528 0.04 . 1 . . . . 33 ALA HB . 25451 1 397 . 1 1 35 35 ALA HB3 H 1 1.528 0.04 . 1 . . . . 33 ALA HB . 25451 1 398 . 1 1 35 35 ALA C C 13 178.015 0.40 . 1 . . . . 33 ALA C . 25451 1 399 . 1 1 35 35 ALA CA C 13 53.115 0.40 . 1 . . . . 33 ALA CA . 25451 1 400 . 1 1 35 35 ALA CB C 13 18.645 0.40 . 1 . . . . 33 ALA CB . 25451 1 401 . 1 1 35 35 ALA N N 15 118.213 0.40 . 1 . . . . 33 ALA N . 25451 1 402 . 1 1 36 36 ARG H H 1 7.647 0.04 . 1 . . . . 34 ARG H . 25451 1 403 . 1 1 36 36 ARG HA H 1 4.442 0.04 . 1 . . . . 34 ARG HA . 25451 1 404 . 1 1 36 36 ARG HB2 H 1 1.852 0.04 . 2 . . . . 34 ARG HB2 . 25451 1 405 . 1 1 36 36 ARG HB3 H 1 1.644 0.04 . 2 . . . . 34 ARG HB3 . 25451 1 406 . 1 1 36 36 ARG HG2 H 1 1.481 0.04 . 2 . . . . 34 ARG HG . 25451 1 407 . 1 1 36 36 ARG HG3 H 1 1.481 0.04 . 2 . . . . 34 ARG HG . 25451 1 408 . 1 1 36 36 ARG HD2 H 1 3.076 0.04 . 2 . . . . 34 ARG HD . 25451 1 409 . 1 1 36 36 ARG HD3 H 1 3.076 0.04 . 2 . . . . 34 ARG HD . 25451 1 410 . 1 1 36 36 ARG C C 13 175.313 0.40 . 1 . . . . 34 ARG C . 25451 1 411 . 1 1 36 36 ARG CA C 13 54.675 0.40 . 1 . . . . 34 ARG CA . 25451 1 412 . 1 1 36 36 ARG CB C 13 32.678 0.40 . 1 . . . . 34 ARG CB . 25451 1 413 . 1 1 36 36 ARG CG C 13 26.692 0.40 . 1 . . . . 34 ARG CG . 25451 1 414 . 1 1 36 36 ARG CD C 13 41.743 0.40 . 1 . . . . 34 ARG CD . 25451 1 415 . 1 1 36 36 ARG N N 15 115.772 0.40 . 1 . . . . 34 ARG N . 25451 1 416 . 1 1 37 37 THR H H 1 8.087 0.04 . 1 . . . . 35 THR H . 25451 1 417 . 1 1 37 37 THR HA H 1 4.651 0.04 . 1 . . . . 35 THR HA . 25451 1 418 . 1 1 37 37 THR HB H 1 4.097 0.04 . 1 . . . . 35 THR HB . 25451 1 419 . 1 1 37 37 THR C C 13 170.256 0.40 . 1 . . . . 35 THR C . 25451 1 420 . 1 1 37 37 THR CA C 13 60.453 0.40 . 1 . . . . 35 THR CA . 25451 1 421 . 1 1 37 37 THR CB C 13 69.000 0.40 . 1 . . . . 35 THR CB . 25451 1 422 . 1 1 37 37 THR CG2 C 13 18.395 0.40 . 1 . . . . 35 THR CG2 . 25451 1 423 . 1 1 37 37 THR N N 15 115.044 0.40 . 1 . . . . 35 THR N . 25451 1 424 . 1 1 38 38 LYS H H 1 8.299 0.04 . 1 . . . . 36 LYS H . 25451 1 425 . 1 1 38 38 LYS HA H 1 4.667 0.04 . 1 . . . . 36 LYS HA . 25451 1 426 . 1 1 38 38 LYS HB2 H 1 2.026 0.04 . 2 . . . . 36 LYS HB2 . 25451 1 427 . 1 1 38 38 LYS HB3 H 1 1.777 0.04 . 2 . . . . 36 LYS HB3 . 25451 1 428 . 1 1 38 38 LYS HG2 H 1 1.491 0.04 . 2 . . . . 36 LYS HG . 25451 1 429 . 1 1 38 38 LYS HG3 H 1 1.491 0.04 . 2 . . . . 36 LYS HG . 25451 1 430 . 1 1 38 38 LYS HD2 H 1 1.691 0.04 . 2 . . . . 36 LYS HD . 25451 1 431 . 1 1 38 38 LYS HD3 H 1 1.691 0.04 . 2 . . . . 36 LYS HD . 25451 1 432 . 1 1 38 38 LYS HE2 H 1 3.018 0.04 . 2 . . . . 36 LYS HE . 25451 1 433 . 1 1 38 38 LYS HE3 H 1 3.018 0.04 . 2 . . . . 36 LYS HE . 25451 1 434 . 1 1 38 38 LYS C C 13 177.759 0.40 . 1 . . . . 36 LYS C . 25451 1 435 . 1 1 38 38 LYS CA C 13 55.225 0.40 . 1 . . . . 36 LYS CA . 25451 1 436 . 1 1 38 38 LYS CB C 13 32.862 0.40 . 1 . . . . 36 LYS CB . 25451 1 437 . 1 1 38 38 LYS CG C 13 24.473 0.40 . 1 . . . . 36 LYS CG . 25451 1 438 . 1 1 38 38 LYS CD C 13 28.622 0.40 . 1 . . . . 36 LYS CD . 25451 1 439 . 1 1 38 38 LYS CE C 13 42.226 0.40 . 1 . . . . 36 LYS CE . 25451 1 440 . 1 1 38 38 LYS N N 15 121.915 0.40 . 1 . . . . 36 LYS N . 25451 1 441 . 1 1 39 39 ASP H H 1 8.823 0.04 . 1 . . . . 37 ASP H . 25451 1 442 . 1 1 39 39 ASP HA H 1 4.883 0.04 . 1 . . . . 37 ASP HA . 25451 1 443 . 1 1 39 39 ASP HB2 H 1 2.848 0.04 . 2 . . . . 37 ASP HB2 . 25451 1 444 . 1 1 39 39 ASP HB3 H 1 2.508 0.04 . 2 . . . . 37 ASP HB3 . 25451 1 445 . 1 1 39 39 ASP C C 13 172.374 0.40 . 1 . . . . 37 ASP C . 25451 1 446 . 1 1 39 39 ASP CA C 13 54.033 0.40 . 1 . . . . 37 ASP CA . 25451 1 447 . 1 1 39 39 ASP CB C 13 41.117 0.40 . 1 . . . . 37 ASP CB . 25451 1 448 . 1 1 39 39 ASP N N 15 128.597 0.40 . 1 . . . . 37 ASP N . 25451 1 449 . 1 1 40 40 ILE H H 1 7.273 0.04 . 1 . . . . 38 ILE H . 25451 1 450 . 1 1 40 40 ILE HA H 1 5.273 0.04 . 1 . . . . 38 ILE HA . 25451 1 451 . 1 1 40 40 ILE HB H 1 1.130 0.04 . 1 . . . . 38 ILE HB . 25451 1 452 . 1 1 40 40 ILE HG12 H 1 1.069 0.04 . 2 . . . . 38 ILE HG12 . 25451 1 453 . 1 1 40 40 ILE HG13 H 1 0.630 0.04 . 2 . . . . 38 ILE HG13 . 25451 1 454 . 1 1 40 40 ILE HG21 H 1 0.545 0.04 . 1 . . . . 38 ILE HG2 . 25451 1 455 . 1 1 40 40 ILE HG22 H 1 0.545 0.04 . 1 . . . . 38 ILE HG2 . 25451 1 456 . 1 1 40 40 ILE HG23 H 1 0.545 0.04 . 1 . . . . 38 ILE HG2 . 25451 1 457 . 1 1 40 40 ILE HD11 H 1 0.192 0.04 . 1 . . . . 38 ILE HD1 . 25451 1 458 . 1 1 40 40 ILE HD12 H 1 0.192 0.04 . 1 . . . . 38 ILE HD1 . 25451 1 459 . 1 1 40 40 ILE HD13 H 1 0.192 0.04 . 1 . . . . 38 ILE HD1 . 25451 1 460 . 1 1 40 40 ILE C C 13 174.090 0.40 . 1 . . . . 38 ILE C . 25451 1 461 . 1 1 40 40 ILE CA C 13 56.968 0.40 . 1 . . . . 38 ILE CA . 25451 1 462 . 1 1 40 40 ILE CB C 13 41.850 0.40 . 1 . . . . 38 ILE CB . 25451 1 463 . 1 1 40 40 ILE CG1 C 13 28.140 0.40 . 1 . . . . 38 ILE CG1 . 25451 1 464 . 1 1 40 40 ILE CG2 C 13 15.115 0.40 . 1 . . . . 38 ILE CG2 . 25451 1 465 . 1 1 40 40 ILE CD1 C 13 15.115 0.40 . 1 . . . . 38 ILE CD1 . 25451 1 466 . 1 1 40 40 ILE N N 15 117.039 0.40 . 1 . . . . 38 ILE N . 25451 1 467 . 1 1 41 41 THR H H 1 8.564 0.04 . 1 . . . . 39 THR H . 25451 1 468 . 1 1 41 41 THR HA H 1 4.260 0.04 . 1 . . . . 39 THR HA . 25451 1 469 . 1 1 41 41 THR HB H 1 3.596 0.04 . 1 . . . . 39 THR HB . 25451 1 470 . 1 1 41 41 THR HG21 H 1 0.584 0.04 . 2 . . . . 39 THR HG2 . 25451 1 471 . 1 1 41 41 THR HG22 H 1 0.584 0.04 . 2 . . . . 39 THR HG2 . 25451 1 472 . 1 1 41 41 THR HG23 H 1 0.584 0.04 . 2 . . . . 39 THR HG2 . 25451 1 473 . 1 1 41 41 THR C C 13 171.096 0.40 . 1 . . . . 39 THR C . 25451 1 474 . 1 1 41 41 THR CA C 13 61.737 0.40 . 1 . . . . 39 THR CA . 25451 1 475 . 1 1 41 41 THR CB C 13 72.302 0.40 . 1 . . . . 39 THR CB . 25451 1 476 . 1 1 41 41 THR CG2 C 13 21.772 0.40 . 1 . . . . 39 THR CG2 . 25451 1 477 . 1 1 41 41 THR N N 15 125.625 0.40 . 1 . . . . 39 THR N . 25451 1 478 . 1 1 42 42 VAL H H 1 8.271 0.04 . 1 . . . . 40 VAL H . 25451 1 479 . 1 1 42 42 VAL HA H 1 4.243 0.04 . 1 . . . . 40 VAL HA . 25451 1 480 . 1 1 42 42 VAL HB H 1 1.487 0.04 . 1 . . . . 40 VAL HB . 25451 1 481 . 1 1 42 42 VAL HG11 H 1 0.020 0.04 . 2 . . . . 40 VAL HG1 . 25451 1 482 . 1 1 42 42 VAL HG12 H 1 0.020 0.04 . 2 . . . . 40 VAL HG1 . 25451 1 483 . 1 1 42 42 VAL HG13 H 1 0.020 0.04 . 2 . . . . 40 VAL HG1 . 25451 1 484 . 1 1 42 42 VAL HG21 H 1 0.612 0.04 . 2 . . . . 40 VAL HG2 . 25451 1 485 . 1 1 42 42 VAL HG22 H 1 0.612 0.04 . 2 . . . . 40 VAL HG2 . 25451 1 486 . 1 1 42 42 VAL HG23 H 1 0.612 0.04 . 2 . . . . 40 VAL HG2 . 25451 1 487 . 1 1 42 42 VAL C C 13 173.706 0.40 . 1 . . . . 40 VAL C . 25451 1 488 . 1 1 42 42 VAL CA C 13 60.178 0.40 . 1 . . . . 40 VAL CA . 25451 1 489 . 1 1 42 42 VAL CB C 13 32.954 0.40 . 1 . . . . 40 VAL CB . 25451 1 490 . 1 1 42 42 VAL CG1 C 13 20.614 0.40 . 2 . . . . 40 VAL CG1 . 25451 1 491 . 1 1 42 42 VAL CG2 C 13 20.614 0.40 . 2 . . . . 40 VAL CG2 . 25451 1 492 . 1 1 42 42 VAL N N 15 126.993 0.40 . 1 . . . . 40 VAL N . 25451 1 493 . 1 1 43 43 HIS H H 1 8.829 0.04 . 1 . . . . 41 HIS H . 25451 1 494 . 1 1 43 43 HIS HA H 1 4.567 0.04 . 1 . . . . 41 HIS HA . 25451 1 495 . 1 1 43 43 HIS HB2 H 1 2.749 0.04 . 2 . . . . 41 HIS HB2 . 25451 1 496 . 1 1 43 43 HIS HB3 H 1 2.593 0.04 . 2 . . . . 41 HIS HB3 . 25451 1 497 . 1 1 43 43 HIS HD2 H 1 6.847 0.04 . 1 . . . . 41 HIS HD2 . 25451 1 498 . 1 1 43 43 HIS C C 13 174.163 0.40 . 1 . . . . 41 HIS C . 25451 1 499 . 1 1 43 43 HIS CA C 13 54.033 0.40 . 1 . . . . 41 HIS CA . 25451 1 500 . 1 1 43 43 HIS CB C 13 31.945 0.40 . 1 . . . . 41 HIS CB . 25451 1 501 . 1 1 43 43 HIS CD2 C 13 119.688 0.40 . 1 . . . . 41 HIS CD2 . 25451 1 502 . 1 1 43 43 HIS N N 15 127.472 0.40 . 1 . . . . 41 HIS N . 25451 1 503 . 1 1 44 44 TYR H H 1 8.938 0.04 . 1 . . . . 42 TYR H . 25451 1 504 . 1 1 44 44 TYR HA H 1 5.206 0.04 . 1 . . . . 42 TYR HA . 25451 1 505 . 1 1 44 44 TYR HB2 H 1 3.479 0.04 . 2 . . . . 42 TYR HB2 . 25451 1 506 . 1 1 44 44 TYR HB3 H 1 2.774 0.04 . 2 . . . . 42 TYR HB3 . 25451 1 507 . 1 1 44 44 TYR HD1 H 1 6.883 0.04 . 3 . . . . 42 TYR HD . 25451 1 508 . 1 1 44 44 TYR HD2 H 1 6.883 0.04 . 3 . . . . 42 TYR HD . 25451 1 509 . 1 1 44 44 TYR HE1 H 1 7.017 0.04 . 3 . . . . 42 TYR HE . 25451 1 510 . 1 1 44 44 TYR HE2 H 1 7.017 0.04 . 3 . . . . 42 TYR HE . 25451 1 511 . 1 1 44 44 TYR C C 13 177.485 0.40 . 1 . . . . 42 TYR C . 25451 1 512 . 1 1 44 44 TYR CA C 13 57.243 0.40 . 1 . . . . 42 TYR CA . 25451 1 513 . 1 1 44 44 TYR CB C 13 35.980 0.40 . 1 . . . . 42 TYR CB . 25451 1 514 . 1 1 44 44 TYR CD1 C 13 132.440 0.40 . 3 . . . . 42 TYR CD1 . 25451 1 515 . 1 1 44 44 TYR CE1 C 13 119.247 0.40 . 3 . . . . 42 TYR CE1 . 25451 1 516 . 1 1 44 44 TYR N N 15 126.301 0.40 . 1 . . . . 42 TYR N . 25451 1 517 . 1 1 45 45 VAL H H 1 9.037 0.04 . 1 . . . . 43 VAL H . 25451 1 518 . 1 1 45 45 VAL HA H 1 4.351 0.04 . 1 . . . . 43 VAL HA . 25451 1 519 . 1 1 45 45 VAL HB H 1 2.666 0.04 . 1 . . . . 43 VAL HB . 25451 1 520 . 1 1 45 45 VAL HG11 H 1 1.443 0.04 . 2 . . . . 43 VAL HG1 . 25451 1 521 . 1 1 45 45 VAL HG12 H 1 1.443 0.04 . 2 . . . . 43 VAL HG1 . 25451 1 522 . 1 1 45 45 VAL HG13 H 1 1.443 0.04 . 2 . . . . 43 VAL HG1 . 25451 1 523 . 1 1 45 45 VAL HG21 H 1 1.233 0.04 . 2 . . . . 43 VAL HG2 . 25451 1 524 . 1 1 45 45 VAL HG22 H 1 1.233 0.04 . 2 . . . . 43 VAL HG2 . 25451 1 525 . 1 1 45 45 VAL HG23 H 1 1.233 0.04 . 2 . . . . 43 VAL HG2 . 25451 1 526 . 1 1 45 45 VAL C C 13 176.572 0.40 . 1 . . . . 43 VAL C . 25451 1 527 . 1 1 45 45 VAL CA C 13 63.847 0.40 . 1 . . . . 43 VAL CA . 25451 1 528 . 1 1 45 45 VAL CB C 13 31.394 0.40 . 1 . . . . 43 VAL CB . 25451 1 529 . 1 1 45 45 VAL CG1 C 13 24.281 0.40 . 2 . . . . 43 VAL CG1 . 25451 1 530 . 1 1 45 45 VAL CG2 C 13 19.360 0.40 . 2 . . . . 43 VAL CG2 . 25451 1 531 . 1 1 45 45 VAL N N 15 120.166 0.40 . 1 . . . . 43 VAL N . 25451 1 532 . 1 1 46 46 ASP H H 1 10.711 0.04 . 1 . . . . 44 ASP H . 25451 1 533 . 1 1 46 46 ASP HA H 1 4.409 0.04 . 1 . . . . 44 ASP HA . 25451 1 534 . 1 1 46 46 ASP HB2 H 1 2.334 0.04 . 2 . . . . 44 ASP HB2 . 25451 1 535 . 1 1 46 46 ASP HB3 H 1 1.786 0.04 . 2 . . . . 44 ASP HB3 . 25451 1 536 . 1 1 46 46 ASP C C 13 176.609 0.40 . 1 . . . . 44 ASP C . 25451 1 537 . 1 1 46 46 ASP CA C 13 54.675 0.40 . 1 . . . . 44 ASP CA . 25451 1 538 . 1 1 46 46 ASP CB C 13 36.989 0.40 . 1 . . . . 44 ASP CB . 25451 1 539 . 1 1 46 46 ASP N N 15 118.507 0.40 . 1 . . . . 44 ASP N . 25451 1 540 . 1 1 47 47 LYS H H 1 7.801 0.04 . 1 . . . . 45 LYS H . 25451 1 541 . 1 1 47 47 LYS HA H 1 4.542 0.04 . 1 . . . . 45 LYS HA . 25451 1 542 . 1 1 47 47 LYS HB2 H 1 2.109 0.04 . 2 . . . . 45 LYS HB2 . 25451 1 543 . 1 1 47 47 LYS HB3 H 1 1.935 0.04 . 2 . . . . 45 LYS HB3 . 25451 1 544 . 1 1 47 47 LYS HG2 H 1 1.338 0.04 . 2 . . . . 45 LYS HG2 . 25451 1 545 . 1 1 47 47 LYS HG3 H 1 1.443 0.04 . 2 . . . . 45 LYS HG3 . 25451 1 546 . 1 1 47 47 LYS HD2 H 1 1.596 0.04 . 2 . . . . 45 LYS HD . 25451 1 547 . 1 1 47 47 LYS HD3 H 1 1.596 0.04 . 2 . . . . 45 LYS HD . 25451 1 548 . 1 1 47 47 LYS HE2 H 1 2.827 0.04 . 2 . . . . 45 LYS HE2 . 25451 1 549 . 1 1 47 47 LYS HE3 H 1 2.942 0.04 . 2 . . . . 45 LYS HE3 . 25451 1 550 . 1 1 47 47 LYS C C 13 175.970 0.40 . 1 . . . . 45 LYS C . 25451 1 551 . 1 1 47 47 LYS CA C 13 54.950 0.40 . 1 . . . . 45 LYS CA . 25451 1 552 . 1 1 47 47 LYS CB C 13 32.770 0.40 . 1 . . . . 45 LYS CB . 25451 1 553 . 1 1 47 47 LYS CG C 13 23.991 0.40 . 1 . . . . 45 LYS CG . 25451 1 554 . 1 1 47 47 LYS CD C 13 28.429 0.40 . 1 . . . . 45 LYS CD . 25451 1 555 . 1 1 47 47 LYS CE C 13 41.743 0.40 . 1 . . . . 45 LYS CE . 25451 1 556 . 1 1 47 47 LYS N N 15 119.476 0.40 . 1 . . . . 45 LYS N . 25451 1 557 . 1 1 48 48 MET H H 1 7.331 0.04 . 1 . . . . 46 MET H . 25451 1 558 . 1 1 48 48 MET HA H 1 4.686 0.04 . 1 . . . . 46 MET HA . 25451 1 559 . 1 1 48 48 MET HB2 H 1 2.550 0.04 . 2 . . . . 46 MET HB . 25451 1 560 . 1 1 48 48 MET HB3 H 1 2.550 0.04 . 2 . . . . 46 MET HB . 25451 1 561 . 1 1 48 48 MET C C 13 177.120 0.40 . 1 . . . . 46 MET C . 25451 1 562 . 1 1 48 48 MET CA C 13 54.858 0.40 . 1 . . . . 46 MET CA . 25451 1 563 . 1 1 48 48 MET CB C 13 36.622 0.40 . 1 . . . . 46 MET CB . 25451 1 564 . 1 1 48 48 MET N N 15 119.037 0.40 . 1 . . . . 46 MET N . 25451 1 565 . 1 1 49 49 SER HA H 1 4.260 0.04 . 1 . . . . 47 SER HA . 25451 1 566 . 1 1 49 49 SER HB2 H 1 3.939 0.04 . 2 . . . . 47 SER HB . 25451 1 567 . 1 1 49 49 SER HB3 H 1 3.939 0.04 . 2 . . . . 47 SER HB . 25451 1 568 . 1 1 49 49 SER C C 13 176.518 0.40 . 1 . . . . 47 SER C . 25451 1 569 . 1 1 49 49 SER CA C 13 61.829 0.40 . 1 . . . . 47 SER CA . 25451 1 570 . 1 1 49 49 SER CB C 13 64.832 0.40 . 1 . . . . 47 SER CB . 25451 1 571 . 1 1 50 50 GLU H H 1 10.024 0.04 . 1 . . . . 48 GLU H . 25451 1 572 . 1 1 50 50 GLU HA H 1 4.750 0.04 . 1 . . . . 48 GLU HA . 25451 1 573 . 1 1 50 50 GLU HB2 H 1 2.159 0.04 . 2 . . . . 48 GLU HB2 . 25451 1 574 . 1 1 50 50 GLU HB3 H 1 2.093 0.04 . 2 . . . . 48 GLU HB3 . 25451 1 575 . 1 1 50 50 GLU HG2 H 1 2.302 0.04 . 2 . . . . 48 GLU HG . 25451 1 576 . 1 1 50 50 GLU HG3 H 1 2.302 0.04 . 2 . . . . 48 GLU HG . 25451 1 577 . 1 1 50 50 GLU C C 13 176.591 0.40 . 1 . . . . 48 GLU C . 25451 1 578 . 1 1 50 50 GLU CA C 13 56.417 0.40 . 1 . . . . 48 GLU CA . 25451 1 579 . 1 1 50 50 GLU CB C 13 28.368 0.40 . 1 . . . . 48 GLU CB . 25451 1 580 . 1 1 50 50 GLU CG C 13 36.630 0.40 . 1 . . . . 48 GLU CG . 25451 1 581 . 1 1 50 50 GLU N N 15 121.430 0.40 . 1 . . . . 48 GLU N . 25451 1 582 . 1 1 51 51 GLY H H 1 8.124 0.04 . 1 . . . . 49 GLY H . 25451 1 583 . 1 1 51 51 GLY HA2 H 1 5.007 0.04 . 2 . . . . 49 GLY HA2 . 25451 1 584 . 1 1 51 51 GLY HA3 H 1 3.637 0.04 . 2 . . . . 49 GLY HA3 . 25451 1 585 . 1 1 51 51 GLY C C 13 175.222 0.40 . 1 . . . . 49 GLY C . 25451 1 586 . 1 1 51 51 GLY CA C 13 48.805 0.40 . 1 . . . . 49 GLY CA . 25451 1 587 . 1 1 51 51 GLY N N 15 109.626 0.40 . 1 . . . . 49 GLY N . 25451 1 588 . 1 1 52 52 GLU H H 1 8.821 0.04 . 1 . . . . 50 GLU H . 25451 1 589 . 1 1 52 52 GLU HA H 1 4.202 0.04 . 1 . . . . 50 GLU HA . 25451 1 590 . 1 1 52 52 GLU HB2 H 1 2.118 0.04 . 2 . . . . 50 GLU HB . 25451 1 591 . 1 1 52 52 GLU HB3 H 1 2.118 0.04 . 2 . . . . 50 GLU HB . 25451 1 592 . 1 1 52 52 GLU HG2 H 1 2.436 0.04 . 2 . . . . 50 GLU HG2 . 25451 1 593 . 1 1 52 52 GLU HG3 H 1 2.331 0.04 . 2 . . . . 50 GLU HG3 . 25451 1 594 . 1 1 52 52 GLU C C 13 179.676 0.40 . 1 . . . . 50 GLU C . 25451 1 595 . 1 1 52 52 GLU CA C 13 59.352 0.40 . 1 . . . . 50 GLU CA . 25451 1 596 . 1 1 52 52 GLU CB C 13 29.101 0.40 . 1 . . . . 50 GLU CB . 25451 1 597 . 1 1 52 52 GLU CG C 13 36.726 0.40 . 1 . . . . 50 GLU CG . 25451 1 598 . 1 1 52 52 GLU N N 15 120.694 0.40 . 1 . . . . 50 GLU N . 25451 1 599 . 1 1 53 53 GLN H H 1 8.117 0.04 . 1 . . . . 51 GLN H . 25451 1 600 . 1 1 53 53 GLN HA H 1 4.144 0.04 . 1 . . . . 51 GLN HA . 25451 1 601 . 1 1 53 53 GLN HB2 H 1 2.259 0.04 . 2 . . . . 51 GLN HB . 25451 1 602 . 1 1 53 53 GLN HB3 H 1 2.259 0.04 . 2 . . . . 51 GLN HB . 25451 1 603 . 1 1 53 53 GLN HG2 H 1 2.436 0.04 . 2 . . . . 51 GLN HG2 . 25451 1 604 . 1 1 53 53 GLN HG3 H 1 2.369 0.04 . 2 . . . . 51 GLN HG3 . 25451 1 605 . 1 1 53 53 GLN HE21 H 1 7.787 0.04 . 2 . . . . 51 GLN HE21 . 25451 1 606 . 1 1 53 53 GLN HE22 H 1 6.840 0.04 . 2 . . . . 51 GLN HE22 . 25451 1 607 . 1 1 53 53 GLN C C 13 179.220 0.40 . 1 . . . . 51 GLN C . 25451 1 608 . 1 1 53 53 GLN CA C 13 58.986 0.40 . 1 . . . . 51 GLN CA . 25451 1 609 . 1 1 53 53 GLN CB C 13 27.817 0.40 . 1 . . . . 51 GLN CB . 25451 1 610 . 1 1 53 53 GLN CG C 13 33.543 0.40 . 1 . . . . 51 GLN CG . 25451 1 611 . 1 1 53 53 GLN N N 15 123.671 0.40 . 1 . . . . 51 GLN N . 25451 1 612 . 1 1 53 53 GLN NE2 N 15 113.233 0.40 . 1 . . . . 51 GLN NE2 . 25451 1 613 . 1 1 54 54 LEU H H 1 8.249 0.04 . 1 . . . . 52 LEU H . 25451 1 614 . 1 1 54 54 LEU HA H 1 4.011 0.04 . 1 . . . . 52 LEU HA . 25451 1 615 . 1 1 54 54 LEU HB2 H 1 2.060 0.04 . 2 . . . . 52 LEU HB2 . 25451 1 616 . 1 1 54 54 LEU HB3 H 1 1.072 0.04 . 2 . . . . 52 LEU HB3 . 25451 1 617 . 1 1 54 54 LEU HG H 1 1.863 0.04 . 1 . . . . 52 LEU HG . 25451 1 618 . 1 1 54 54 LEU HD11 H 1 0.822 0.04 . 2 . . . . 52 LEU HD1 . 25451 1 619 . 1 1 54 54 LEU HD12 H 1 0.822 0.04 . 2 . . . . 52 LEU HD1 . 25451 1 620 . 1 1 54 54 LEU HD13 H 1 0.822 0.04 . 2 . . . . 52 LEU HD1 . 25451 1 621 . 1 1 54 54 LEU HD21 H 1 0.717 0.04 . 2 . . . . 52 LEU HD2 . 25451 1 622 . 1 1 54 54 LEU HD22 H 1 0.717 0.04 . 2 . . . . 52 LEU HD2 . 25451 1 623 . 1 1 54 54 LEU HD23 H 1 0.717 0.04 . 2 . . . . 52 LEU HD2 . 25451 1 624 . 1 1 54 54 LEU C C 13 179.037 0.40 . 1 . . . . 52 LEU C . 25451 1 625 . 1 1 54 54 LEU CA C 13 57.793 0.40 . 1 . . . . 52 LEU CA . 25451 1 626 . 1 1 54 54 LEU CB C 13 40.566 0.40 . 1 . . . . 52 LEU CB . 25451 1 627 . 1 1 54 54 LEU CG C 13 26.403 0.40 . 1 . . . . 52 LEU CG . 25451 1 628 . 1 1 54 54 LEU CD1 C 13 22.254 0.40 . 2 . . . . 52 LEU CD1 . 25451 1 629 . 1 1 54 54 LEU CD2 C 13 22.254 0.40 . 2 . . . . 52 LEU CD2 . 25451 1 630 . 1 1 54 54 LEU N N 15 121.040 0.40 . 1 . . . . 52 LEU N . 25451 1 631 . 1 1 55 55 ARG H H 1 8.402 0.04 . 1 . . . . 53 ARG H . 25451 1 632 . 1 1 55 55 ARG HA H 1 3.795 0.04 . 1 . . . . 53 ARG HA . 25451 1 633 . 1 1 55 55 ARG HB2 H 1 1.927 0.04 . 2 . . . . 53 ARG HB . 25451 1 634 . 1 1 55 55 ARG HB3 H 1 1.927 0.04 . 2 . . . . 53 ARG HB . 25451 1 635 . 1 1 55 55 ARG HG2 H 1 1.405 0.04 . 2 . . . . 53 ARG HG2 . 25451 1 636 . 1 1 55 55 ARG HG3 H 1 2.111 0.04 . 2 . . . . 53 ARG HG3 . 25451 1 637 . 1 1 55 55 ARG HD2 H 1 3.314 0.04 . 2 . . . . 53 ARG HD2 . 25451 1 638 . 1 1 55 55 ARG HD3 H 1 3.238 0.04 . 2 . . . . 53 ARG HD3 . 25451 1 639 . 1 1 55 55 ARG C C 13 180.059 0.40 . 1 . . . . 53 ARG C . 25451 1 640 . 1 1 55 55 ARG CA C 13 60.545 0.40 . 1 . . . . 53 ARG CA . 25451 1 641 . 1 1 55 55 ARG CB C 13 29.652 0.40 . 1 . . . . 53 ARG CB . 25451 1 642 . 1 1 55 55 ARG CG C 13 27.657 0.40 . 1 . . . . 53 ARG CG . 25451 1 643 . 1 1 55 55 ARG CD C 13 43.383 0.40 . 1 . . . . 53 ARG CD . 25451 1 644 . 1 1 55 55 ARG N N 15 118.118 0.40 . 1 . . . . 53 ARG N . 25451 1 645 . 1 1 56 56 GLY H H 1 8.376 0.04 . 1 . . . . 54 GLY H . 25451 1 646 . 1 1 56 56 GLY HA2 H 1 4.069 0.04 . 2 . . . . 54 GLY HA2 . 25451 1 647 . 1 1 56 56 GLY HA3 H 1 4.069 0.04 . 2 . . . . 54 GLY HA3 . 25451 1 648 . 1 1 56 56 GLY C C 13 175.970 0.40 . 1 . . . . 54 GLY C . 25451 1 649 . 1 1 56 56 GLY CA C 13 47.154 0.40 . 1 . . . . 54 GLY CA . 25451 1 650 . 1 1 56 56 GLY N N 15 110.755 0.40 . 1 . . . . 54 GLY N . 25451 1 651 . 1 1 57 57 GLU H H 1 8.146 0.04 . 1 . . . . 55 GLU H . 25451 1 652 . 1 1 57 57 GLU HA H 1 4.077 0.04 . 1 . . . . 55 GLU HA . 25451 1 653 . 1 1 57 57 GLU HB2 H 1 2.350 0.04 . 2 . . . . 55 GLU HB2 . 25451 1 654 . 1 1 57 57 GLU HB3 H 1 2.001 0.04 . 2 . . . . 55 GLU HB3 . 25451 1 655 . 1 1 57 57 GLU HG2 H 1 2.579 0.04 . 2 . . . . 55 GLU HG2 . 25451 1 656 . 1 1 57 57 GLU HG3 H 1 2.235 0.04 . 2 . . . . 55 GLU HG3 . 25451 1 657 . 1 1 57 57 GLU C C 13 179.804 0.40 . 1 . . . . 55 GLU C . 25451 1 658 . 1 1 57 57 GLU CA C 13 59.536 0.40 . 1 . . . . 55 GLU CA . 25451 1 659 . 1 1 57 57 GLU CB C 13 30.110 0.40 . 1 . . . . 55 GLU CB . 25451 1 660 . 1 1 57 57 GLU CG C 13 36.726 0.40 . 1 . . . . 55 GLU CG . 25451 1 661 . 1 1 57 57 GLU N N 15 124.549 0.40 . 1 . . . . 55 GLU N . 25451 1 662 . 1 1 58 58 ILE H H 1 8.201 0.04 . 1 . . . . 56 ILE H . 25451 1 663 . 1 1 58 58 ILE HA H 1 3.687 0.04 . 1 . . . . 56 ILE HA . 25451 1 664 . 1 1 58 58 ILE HB H 1 2.043 0.04 . 1 . . . . 56 ILE HB . 25451 1 665 . 1 1 58 58 ILE HG12 H 1 1.817 0.04 . 2 . . . . 56 ILE HG12 . 25451 1 666 . 1 1 58 58 ILE HG13 H 1 0.630 0.04 . 2 . . . . 56 ILE HG13 . 25451 1 667 . 1 1 58 58 ILE HG21 H 1 1.036 0.04 . 1 . . . . 56 ILE HG2 . 25451 1 668 . 1 1 58 58 ILE HG22 H 1 1.036 0.04 . 1 . . . . 56 ILE HG2 . 25451 1 669 . 1 1 58 58 ILE HG23 H 1 1.036 0.04 . 1 . . . . 56 ILE HG2 . 25451 1 670 . 1 1 58 58 ILE HD11 H 1 0.278 0.04 . 1 . . . . 56 ILE HD1 . 25451 1 671 . 1 1 58 58 ILE HD12 H 1 0.278 0.04 . 1 . . . . 56 ILE HD1 . 25451 1 672 . 1 1 58 58 ILE HD13 H 1 0.278 0.04 . 1 . . . . 56 ILE HD1 . 25451 1 673 . 1 1 58 58 ILE C C 13 177.650 0.40 . 1 . . . . 56 ILE C . 25451 1 674 . 1 1 58 58 ILE CA C 13 65.498 0.40 . 1 . . . . 56 ILE CA . 25451 1 675 . 1 1 58 58 ILE CB C 13 38.457 0.40 . 1 . . . . 56 ILE CB . 25451 1 676 . 1 1 58 58 ILE CG1 C 13 30.841 0.40 . 1 . . . . 56 ILE CG1 . 25451 1 677 . 1 1 58 58 ILE CG2 C 13 17.389 0.40 . 1 . . . . 56 ILE CG2 . 25451 1 678 . 1 1 58 58 ILE CD1 C 13 12.510 0.40 . 1 . . . . 56 ILE CD1 . 25451 1 679 . 1 1 58 58 ILE N N 15 121.432 0.40 . 1 . . . . 56 ILE N . 25451 1 680 . 1 1 59 59 TYR H H 1 8.256 0.04 . 1 . . . . 57 TYR H . 25451 1 681 . 1 1 59 59 TYR HA H 1 4.135 0.04 . 1 . . . . 57 TYR HA . 25451 1 682 . 1 1 59 59 TYR HB2 H 1 3.147 0.04 . 2 . . . . 57 TYR HB . 25451 1 683 . 1 1 59 59 TYR HB3 H 1 3.147 0.04 . 2 . . . . 57 TYR HB . 25451 1 684 . 1 1 59 59 TYR HD1 H 1 6.854 0.04 . 3 . . . . 57 TYR HD . 25451 1 685 . 1 1 59 59 TYR HD2 H 1 6.854 0.04 . 3 . . . . 57 TYR HD . 25451 1 686 . 1 1 59 59 TYR HE1 H 1 6.731 0.04 . 3 . . . . 57 TYR HE . 25451 1 687 . 1 1 59 59 TYR HE2 H 1 6.731 0.04 . 3 . . . . 57 TYR HE . 25451 1 688 . 1 1 59 59 TYR C C 13 177.942 0.40 . 1 . . . . 57 TYR C . 25451 1 689 . 1 1 59 59 TYR CA C 13 61.921 0.40 . 1 . . . . 57 TYR CA . 25451 1 690 . 1 1 59 59 TYR CB C 13 38.090 0.40 . 1 . . . . 57 TYR CB . 25451 1 691 . 1 1 59 59 TYR CD1 C 13 132.581 0.40 . 3 . . . . 57 TYR CD . 25451 1 692 . 1 1 59 59 TYR CD2 C 13 132.581 0.40 . 3 . . . . 57 TYR CD . 25451 1 693 . 1 1 59 59 TYR CE1 C 13 118.190 0.40 . 3 . . . . 57 TYR CE . 25451 1 694 . 1 1 59 59 TYR CE2 C 13 118.190 0.40 . 3 . . . . 57 TYR CE . 25451 1 695 . 1 1 59 59 TYR N N 15 122.014 0.40 . 1 . . . . 57 TYR N . 25451 1 696 . 1 1 60 60 GLN H H 1 8.512 0.04 . 1 . . . . 58 GLN H . 25451 1 697 . 1 1 60 60 GLN HA H 1 3.679 0.04 . 1 . . . . 58 GLN HA . 25451 1 698 . 1 1 60 60 GLN HB2 H 1 2.076 0.04 . 2 . . . . 58 GLN HB . 25451 1 699 . 1 1 60 60 GLN HB3 H 1 2.076 0.04 . 2 . . . . 58 GLN HB . 25451 1 700 . 1 1 60 60 GLN HG2 H 1 2.465 0.04 . 2 . . . . 58 GLN HG . 25451 1 701 . 1 1 60 60 GLN HG3 H 1 2.465 0.04 . 2 . . . . 58 GLN HG . 25451 1 702 . 1 1 60 60 GLN HE21 H 1 6.870 0.04 . 2 . . . . 58 GLN HE21 . 25451 1 703 . 1 1 60 60 GLN HE22 H 1 7.482 0.04 . 2 . . . . 58 GLN HE22 . 25451 1 704 . 1 1 60 60 GLN C C 13 176.956 0.40 . 1 . . . . 58 GLN C . 25451 1 705 . 1 1 60 60 GLN CA C 13 58.710 0.40 . 1 . . . . 58 GLN CA . 25451 1 706 . 1 1 60 60 GLN CB C 13 28.643 0.40 . 1 . . . . 58 GLN CB . 25451 1 707 . 1 1 60 60 GLN CG C 13 33.639 0.40 . 1 . . . . 58 GLN CG . 25451 1 708 . 1 1 60 60 GLN N N 15 119.774 0.40 . 1 . . . . 58 GLN N . 25451 1 709 . 1 1 60 60 GLN NE2 N 15 113.076 0.40 . 1 . . . . 58 GLN NE2 . 25451 1 710 . 1 1 61 61 ALA H H 1 7.749 0.04 . 1 . . . . 59 ALA H . 25451 1 711 . 1 1 61 61 ALA HA H 1 3.969 0.04 . 1 . . . . 59 ALA HA . 25451 1 712 . 1 1 61 61 ALA HB1 H 1 0.748 0.04 . 1 . . . . 59 ALA HB . 25451 1 713 . 1 1 61 61 ALA HB2 H 1 0.748 0.04 . 1 . . . . 59 ALA HB . 25451 1 714 . 1 1 61 61 ALA HB3 H 1 0.748 0.04 . 1 . . . . 59 ALA HB . 25451 1 715 . 1 1 61 61 ALA C C 13 178.800 0.40 . 1 . . . . 59 ALA C . 25451 1 716 . 1 1 61 61 ALA CA C 13 53.666 0.40 . 1 . . . . 59 ALA CA . 25451 1 717 . 1 1 61 61 ALA CB C 13 19.287 0.40 . 1 . . . . 59 ALA CB . 25451 1 718 . 1 1 61 61 ALA N N 15 117.524 0.40 . 1 . . . . 59 ALA N . 25451 1 719 . 1 1 62 62 TYR H H 1 7.801 0.04 . 1 . . . . 60 TYR H . 25451 1 720 . 1 1 62 62 TYR HA H 1 4.525 0.04 . 1 . . . . 60 TYR HA . 25451 1 721 . 1 1 62 62 TYR HB2 H 1 2.549 0.04 . 2 . . . . 60 TYR HB2 . 25451 1 722 . 1 1 62 62 TYR HB3 H 1 2.060 0.04 . 2 . . . . 60 TYR HB3 . 25451 1 723 . 1 1 62 62 TYR HD1 H 1 6.981 0.04 . 3 . . . . 60 TYR HD . 25451 1 724 . 1 1 62 62 TYR HD2 H 1 6.981 0.04 . 3 . . . . 60 TYR HD . 25451 1 725 . 1 1 62 62 TYR HE1 H 1 6.745 0.04 . 3 . . . . 60 TYR HE . 25451 1 726 . 1 1 62 62 TYR HE2 H 1 6.745 0.04 . 3 . . . . 60 TYR HE . 25451 1 727 . 1 1 62 62 TYR C C 13 174.656 0.40 . 1 . . . . 60 TYR C . 25451 1 728 . 1 1 62 62 TYR CA C 13 57.243 0.40 . 1 . . . . 60 TYR CA . 25451 1 729 . 1 1 62 62 TYR CB C 13 39.099 0.40 . 1 . . . . 60 TYR CB . 25451 1 730 . 1 1 62 62 TYR CD1 C 13 133.342 0.40 . 3 . . . . 60 TYR CD . 25451 1 731 . 1 1 62 62 TYR CD2 C 13 133.342 0.40 . 3 . . . . 60 TYR CD . 25451 1 732 . 1 1 62 62 TYR CE1 C 13 118.364 0.40 . 3 . . . . 60 TYR CE . 25451 1 733 . 1 1 62 62 TYR CE2 C 13 118.364 0.40 . 3 . . . . 60 TYR CE . 25451 1 734 . 1 1 62 62 TYR N N 15 113.345 0.40 . 1 . . . . 60 TYR N . 25451 1 735 . 1 1 63 63 LYS H H 1 8.098 0.04 . 1 . . . . 61 LYS H . 25451 1 736 . 1 1 63 63 LYS HA H 1 3.504 0.04 . 1 . . . . 61 LYS HA . 25451 1 737 . 1 1 63 63 LYS HB2 H 1 1.943 0.04 . 2 . . . . 61 LYS HB . 25451 1 738 . 1 1 63 63 LYS HB3 H 1 1.943 0.04 . 2 . . . . 61 LYS HB . 25451 1 739 . 1 1 63 63 LYS HG2 H 1 1.214 0.04 . 2 . . . . 61 LYS HG2 . 25451 1 740 . 1 1 63 63 LYS HG3 H 1 1.118 0.04 . 2 . . . . 61 LYS HG3 . 25451 1 741 . 1 1 63 63 LYS HD2 H 1 1.424 0.04 . 2 . . . . 61 LYS HD . 25451 1 742 . 1 1 63 63 LYS HD3 H 1 1.424 0.04 . 2 . . . . 61 LYS HD . 25451 1 743 . 1 1 63 63 LYS HE2 H 1 2.866 0.04 . 2 . . . . 61 LYS HE . 25451 1 744 . 1 1 63 63 LYS HE3 H 1 2.866 0.04 . 2 . . . . 61 LYS HE . 25451 1 745 . 1 1 63 63 LYS C C 13 173.432 0.40 . 1 . . . . 61 LYS C . 25451 1 746 . 1 1 63 63 LYS CA C 13 56.601 0.40 . 1 . . . . 61 LYS CA . 25451 1 747 . 1 1 63 63 LYS CB C 13 28.643 0.40 . 1 . . . . 61 LYS CB . 25451 1 748 . 1 1 63 63 LYS CG C 13 24.956 0.40 . 1 . . . . 61 LYS CG . 25451 1 749 . 1 1 63 63 LYS CD C 13 28.513 0.40 . 1 . . . . 61 LYS CD . 25451 1 750 . 1 1 63 63 LYS CE C 13 42.129 0.40 . 1 . . . . 61 LYS CE . 25451 1 751 . 1 1 63 63 LYS N N 15 117.664 0.40 . 1 . . . . 61 LYS N . 25451 1 752 . 1 1 64 64 HIS H H 1 6.524 0.04 . 1 . . . . 62 HIS H . 25451 1 753 . 1 1 64 64 HIS HA H 1 4.957 0.04 . 1 . . . . 62 HIS HA . 25451 1 754 . 1 1 64 64 HIS HB2 H 1 2.791 0.04 . 2 . . . . 62 HIS HB2 . 25451 1 755 . 1 1 64 64 HIS HB3 H 1 2.724 0.04 . 2 . . . . 62 HIS HB3 . 25451 1 756 . 1 1 64 64 HIS HD2 H 1 6.981 0.04 . 1 . . . . 62 HIS HD2 . 25451 1 757 . 1 1 64 64 HIS C C 13 175.605 0.40 . 1 . . . . 62 HIS C . 25451 1 758 . 1 1 64 64 HIS CA C 13 55.684 0.40 . 1 . . . . 62 HIS CA . 25451 1 759 . 1 1 64 64 HIS CB C 13 35.063 0.40 . 1 . . . . 62 HIS CB . 25451 1 760 . 1 1 64 64 HIS CD2 C 13 121.153 0.40 . 1 . . . . 62 HIS CD2 . 25451 1 761 . 1 1 64 64 HIS N N 15 118.698 0.40 . 1 . . . . 62 HIS N . 25451 1 762 . 1 1 65 65 GLU H H 1 9.188 0.04 . 1 . . . . 63 GLU H . 25451 1 763 . 1 1 65 65 GLU HA H 1 4.393 0.04 . 1 . . . . 63 GLU HA . 25451 1 764 . 1 1 65 65 GLU HB2 H 1 1.871 0.04 . 2 . . . . 63 GLU HB2 . 25451 1 765 . 1 1 65 65 GLU HB3 H 1 2.001 0.04 . 2 . . . . 63 GLU HB3 . 25451 1 766 . 1 1 65 65 GLU HG2 H 1 2.109 0.04 . 2 . . . . 63 GLU HG . 25451 1 767 . 1 1 65 65 GLU HG3 H 1 2.109 0.04 . 2 . . . . 63 GLU HG . 25451 1 768 . 1 1 65 65 GLU C C 13 174.966 0.40 . 1 . . . . 63 GLU C . 25451 1 769 . 1 1 65 65 GLU CA C 13 56.876 0.40 . 1 . . . . 63 GLU CA . 25451 1 770 . 1 1 65 65 GLU CB C 13 32.403 0.40 . 1 . . . . 63 GLU CB . 25451 1 771 . 1 1 65 65 GLU CG C 13 37.112 0.40 . 1 . . . . 63 GLU CG . 25451 1 772 . 1 1 65 65 GLU N N 15 126.803 0.40 . 1 . . . . 63 GLU N . 25451 1 773 . 1 1 66 66 THR H H 1 6.296 0.04 . 1 . . . . 64 THR H . 25451 1 774 . 1 1 66 66 THR HA H 1 4.393 0.04 . 1 . . . . 64 THR HA . 25451 1 775 . 1 1 66 66 THR HB H 1 4.185 0.04 . 1 . . . . 64 THR HB . 25451 1 776 . 1 1 66 66 THR C C 13 174.199 0.40 . 1 . . . . 64 THR C . 25451 1 777 . 1 1 66 66 THR CA C 13 59.628 0.40 . 1 . . . . 64 THR CA . 25451 1 778 . 1 1 66 66 THR CB C 13 71.201 0.40 . 1 . . . . 64 THR CB . 25451 1 779 . 1 1 66 66 THR CG2 C 13 21.290 0.40 . 1 . . . . 64 THR CG2 . 25451 1 780 . 1 1 66 66 THR N N 15 108.123 0.40 . 1 . . . . 64 THR N . 25451 1 781 . 1 1 67 67 VAL H H 1 7.688 0.04 . 1 . . . . 65 VAL H . 25451 1 782 . 1 1 67 67 VAL HA H 1 4.400 0.04 . 1 . . . . 65 VAL HA . 25451 1 783 . 1 1 67 67 VAL HB H 1 1.909 0.04 . 1 . . . . 65 VAL HB . 25451 1 784 . 1 1 67 67 VAL C C 13 172.647 0.40 . 1 . . . . 65 VAL C . 25451 1 785 . 1 1 67 67 VAL CA C 13 57.977 0.40 . 1 . . . . 65 VAL CA . 25451 1 786 . 1 1 67 67 VAL CB C 13 32.312 0.40 . 1 . . . . 65 VAL CB . 25451 1 787 . 1 1 67 67 VAL N N 15 112.553 0.40 . 1 . . . . 65 VAL N . 25451 1 788 . 1 1 68 68 PRO HA H 1 5.430 0.04 . 1 . . . . 66 PRO HA . 25451 1 789 . 1 1 68 68 PRO HB2 H 1 2.873 0.04 . 2 . . . . 66 PRO HB2 . 25451 1 790 . 1 1 68 68 PRO HB3 H 1 1.786 0.04 . 2 . . . . 66 PRO HB3 . 25451 1 791 . 1 1 68 68 PRO HG2 H 1 1.842 0.04 . 2 . . . . 66 PRO HG2 . 25451 1 792 . 1 1 68 68 PRO HG3 H 1 1.746 0.04 . 2 . . . . 66 PRO HG3 . 25451 1 793 . 1 1 68 68 PRO HD2 H 1 3.944 0.04 . 2 . . . . 66 PRO HD2 . 25451 1 794 . 1 1 68 68 PRO HD3 H 1 3.658 0.04 . 2 . . . . 66 PRO HD3 . 25451 1 795 . 1 1 68 68 PRO C C 13 176.025 0.40 . 1 . . . . 66 PRO C . 25451 1 796 . 1 1 68 68 PRO CA C 13 61.737 0.40 . 1 . . . . 66 PRO CA . 25451 1 797 . 1 1 68 68 PRO CB C 13 34.971 0.40 . 1 . . . . 66 PRO CB . 25451 1 798 . 1 1 68 68 PRO CG C 13 24.570 0.40 . 1 . . . . 66 PRO CG . 25451 1 799 . 1 1 68 68 PRO CD C 13 49.848 0.40 . 1 . . . . 66 PRO CD . 25451 1 800 . 1 1 69 69 ALA H H 1 8.952 0.04 . 1 . . . . 67 ALA H . 25451 1 801 . 1 1 69 69 ALA HA H 1 4.808 0.04 . 1 . . . . 67 ALA HA . 25451 1 802 . 1 1 69 69 ALA HB1 H 1 1.727 0.04 . 1 . . . . 67 ALA HB . 25451 1 803 . 1 1 69 69 ALA HB2 H 1 1.727 0.04 . 1 . . . . 67 ALA HB . 25451 1 804 . 1 1 69 69 ALA HB3 H 1 1.727 0.04 . 1 . . . . 67 ALA HB . 25451 1 805 . 1 1 69 69 ALA C C 13 174.893 0.40 . 1 . . . . 67 ALA C . 25451 1 806 . 1 1 69 69 ALA CA C 13 51.281 0.40 . 1 . . . . 67 ALA CA . 25451 1 807 . 1 1 69 69 ALA CB C 13 21.855 0.40 . 1 . . . . 67 ALA CB . 25451 1 808 . 1 1 69 69 ALA N N 15 124.389 0.40 . 1 . . . . 67 ALA N . 25451 1 809 . 1 1 70 70 ILE H H 1 8.447 0.04 . 1 . . . . 68 ILE H . 25451 1 810 . 1 1 70 70 ILE HA H 1 4.550 0.04 . 1 . . . . 68 ILE HA . 25451 1 811 . 1 1 70 70 ILE HB H 1 1.329 0.04 . 1 . . . . 68 ILE HB . 25451 1 812 . 1 1 70 70 ILE HG12 H 1 1.519 0.04 . 2 . . . . 68 ILE HG12 . 25451 1 813 . 1 1 70 70 ILE HG13 H 1 0.864 0.04 . 2 . . . . 68 ILE HG13 . 25451 1 814 . 1 1 70 70 ILE HG21 H 1 0.641 0.04 . 1 . . . . 68 ILE HG2 . 25451 1 815 . 1 1 70 70 ILE HG22 H 1 0.641 0.04 . 1 . . . . 68 ILE HG2 . 25451 1 816 . 1 1 70 70 ILE HG23 H 1 0.641 0.04 . 1 . . . . 68 ILE HG2 . 25451 1 817 . 1 1 70 70 ILE HD11 H 1 0.631 0.04 . 1 . . . . 68 ILE HD1 . 25451 1 818 . 1 1 70 70 ILE HD12 H 1 0.631 0.04 . 1 . . . . 68 ILE HD1 . 25451 1 819 . 1 1 70 70 ILE HD13 H 1 0.631 0.04 . 1 . . . . 68 ILE HD1 . 25451 1 820 . 1 1 70 70 ILE C C 13 172.173 0.40 . 1 . . . . 68 ILE C . 25451 1 821 . 1 1 70 70 ILE CA C 13 62.012 0.40 . 1 . . . . 68 ILE CA . 25451 1 822 . 1 1 70 70 ILE CB C 13 40.200 0.40 . 1 . . . . 68 ILE CB . 25451 1 823 . 1 1 70 70 ILE CG1 C 13 28.622 0.40 . 1 . . . . 68 ILE CG1 . 25451 1 824 . 1 1 70 70 ILE CG2 C 13 17.519 0.40 . 1 . . . . 68 ILE CG2 . 25451 1 825 . 1 1 70 70 ILE CD1 C 13 15.404 0.40 . 1 . . . . 68 ILE CD1 . 25451 1 826 . 1 1 70 70 ILE N N 15 124.649 0.40 . 1 . . . . 68 ILE N . 25451 1 827 . 1 1 71 71 PHE H H 1 9.219 0.04 . 1 . . . . 69 PHE H . 25451 1 828 . 1 1 71 71 PHE HA H 1 5.223 0.04 . 1 . . . . 69 PHE HA . 25451 1 829 . 1 1 71 71 PHE HB2 H 1 3.247 0.04 . 2 . . . . 69 PHE HB2 . 25451 1 830 . 1 1 71 71 PHE HB3 H 1 2.624 0.04 . 2 . . . . 69 PHE HB3 . 25451 1 831 . 1 1 71 71 PHE HD1 H 1 7.144 0.04 . 3 . . . . 69 PHE HD . 25451 1 832 . 1 1 71 71 PHE HD2 H 1 7.144 0.04 . 3 . . . . 69 PHE HD . 25451 1 833 . 1 1 71 71 PHE HE1 H 1 7.027 0.04 . 3 . . . . 69 PHE HE . 25451 1 834 . 1 1 71 71 PHE HE2 H 1 7.027 0.04 . 3 . . . . 69 PHE HE . 25451 1 835 . 1 1 71 71 PHE HZ H 1 6.613 0.04 . 1 . . . . 69 PHE HZ . 25451 1 836 . 1 1 71 71 PHE C C 13 174.418 0.40 . 1 . . . . 69 PHE C . 25451 1 837 . 1 1 71 71 PHE CA C 13 56.051 0.40 . 1 . . . . 69 PHE CA . 25451 1 838 . 1 1 71 71 PHE CB C 13 42.217 0.40 . 1 . . . . 69 PHE CB . 25451 1 839 . 1 1 71 71 PHE CD1 C 13 132.359 0.40 . 3 . . . . 69 PHE CD1 . 25451 1 840 . 1 1 71 71 PHE CE1 C 13 131.068 0.40 . 3 . . . . 69 PHE CE1 . 25451 1 841 . 1 1 71 71 PHE CZ C 13 129.528 0.40 . 1 . . . . 69 PHE CZ . 25451 1 842 . 1 1 71 71 PHE N N 15 127.570 0.40 . 1 . . . . 69 PHE N . 25451 1 843 . 1 1 72 72 ILE H H 1 8.715 0.04 . 1 . . . . 70 ILE H . 25451 1 844 . 1 1 72 72 ILE HA H 1 5.107 0.04 . 1 . . . . 70 ILE HA . 25451 1 845 . 1 1 72 72 ILE HB H 1 1.495 0.04 . 1 . . . . 70 ILE HB . 25451 1 846 . 1 1 72 72 ILE HG12 H 1 1.463 0.04 . 2 . . . . 70 ILE HG12 . 25451 1 847 . 1 1 72 72 ILE HG13 H 1 0.994 0.04 . 2 . . . . 70 ILE HG13 . 25451 1 848 . 1 1 72 72 ILE HG21 H 1 0.784 0.04 . 1 . . . . 70 ILE HG2 . 25451 1 849 . 1 1 72 72 ILE HG22 H 1 0.784 0.04 . 1 . . . . 70 ILE HG2 . 25451 1 850 . 1 1 72 72 ILE HG23 H 1 0.784 0.04 . 1 . . . . 70 ILE HG2 . 25451 1 851 . 1 1 72 72 ILE HD11 H 1 0.574 0.04 . 1 . . . . 70 ILE HD1 . 25451 1 852 . 1 1 72 72 ILE HD12 H 1 0.574 0.04 . 1 . . . . 70 ILE HD1 . 25451 1 853 . 1 1 72 72 ILE HD13 H 1 0.574 0.04 . 1 . . . . 70 ILE HD1 . 25451 1 854 . 1 1 72 72 ILE C C 13 177.138 0.40 . 1 . . . . 70 ILE C . 25451 1 855 . 1 1 72 72 ILE CA C 13 60.453 0.40 . 1 . . . . 70 ILE CA . 25451 1 856 . 1 1 72 72 ILE CB C 13 41.117 0.40 . 1 . . . . 70 ILE CB . 25451 1 857 . 1 1 72 72 ILE CG1 C 13 27.657 0.40 . 1 . . . . 70 ILE CG1 . 25451 1 858 . 1 1 72 72 ILE CG2 C 13 17.334 0.40 . 1 . . . . 70 ILE CG2 . 25451 1 859 . 1 1 72 72 ILE CD1 C 13 13.282 0.40 . 1 . . . . 70 ILE CD1 . 25451 1 860 . 1 1 72 72 ILE N N 15 118.694 0.40 . 1 . . . . 70 ILE N . 25451 1 861 . 1 1 73 73 ASN H H 1 10.691 0.04 . 1 . . . . 71 ASN H . 25451 1 862 . 1 1 73 73 ASN HA H 1 4.667 0.04 . 1 . . . . 71 ASN HA . 25451 1 863 . 1 1 73 73 ASN HB2 H 1 3.180 0.04 . 2 . . . . 71 ASN HB2 . 25451 1 864 . 1 1 73 73 ASN HB3 H 1 2.890 0.04 . 2 . . . . 71 ASN HB3 . 25451 1 865 . 1 1 73 73 ASN HD21 H 1 7.146 0.04 . 2 . . . . 71 ASN HD21 . 25451 1 866 . 1 1 73 73 ASN HD22 H 1 7.635 0.04 . 2 . . . . 71 ASN HD22 . 25451 1 867 . 1 1 73 73 ASN C C 13 174.893 0.40 . 1 . . . . 71 ASN C . 25451 1 868 . 1 1 73 73 ASN CA C 13 54.491 0.40 . 1 . . . . 71 ASN CA . 25451 1 869 . 1 1 73 73 ASN CB C 13 37.448 0.40 . 1 . . . . 71 ASN CB . 25451 1 870 . 1 1 73 73 ASN N N 15 129.511 0.40 . 1 . . . . 71 ASN N . 25451 1 871 . 1 1 73 73 ASN ND2 N 15 115.220 0.40 . 1 . . . . 71 ASN ND2 . 25451 1 872 . 1 1 74 74 GLY H H 1 9.529 0.04 . 1 . . . . 72 GLY H . 25451 1 873 . 1 1 74 74 GLY HA2 H 1 4.152 0.04 . 2 . . . . 72 GLY HA2 . 25451 1 874 . 1 1 74 74 GLY HA3 H 1 3.322 0.04 . 2 . . . . 72 GLY HA3 . 25451 1 875 . 1 1 74 74 GLY C C 13 172.374 0.40 . 1 . . . . 72 GLY C . 25451 1 876 . 1 1 74 74 GLY CA C 13 44.952 0.40 . 1 . . . . 72 GLY CA . 25451 1 877 . 1 1 74 74 GLY N N 15 104.315 0.40 . 1 . . . . 72 GLY N . 25451 1 878 . 1 1 75 75 ASN H H 1 8.116 0.04 . 1 . . . . 73 ASN H . 25451 1 879 . 1 1 75 75 ASN HA H 1 5.098 0.04 . 1 . . . . 73 ASN HA . 25451 1 880 . 1 1 75 75 ASN HB2 H 1 2.840 0.04 . 2 . . . . 73 ASN HB2 . 25451 1 881 . 1 1 75 75 ASN HB3 H 1 2.740 0.04 . 2 . . . . 73 ASN HB3 . 25451 1 882 . 1 1 75 75 ASN HD21 H 1 7.079 0.04 . 2 . . . . 73 ASN HD21 . 25451 1 883 . 1 1 75 75 ASN HD22 H 1 7.481 0.04 . 2 . . . . 73 ASN HD22 . 25451 1 884 . 1 1 75 75 ASN C C 13 173.889 0.40 . 1 . . . . 73 ASN C . 25451 1 885 . 1 1 75 75 ASN CA C 13 51.556 0.40 . 1 . . . . 73 ASN CA . 25451 1 886 . 1 1 75 75 ASN CB C 13 40.108 0.40 . 1 . . . . 73 ASN CB . 25451 1 887 . 1 1 75 75 ASN N N 15 119.089 0.40 . 1 . . . . 73 ASN N . 25451 1 888 . 1 1 75 75 ASN ND2 N 15 115.747 0.40 . 1 . . . . 73 ASN ND2 . 25451 1 889 . 1 1 76 76 PHE H H 1 9.004 0.04 . 1 . . . . 74 PHE H . 25451 1 890 . 1 1 76 76 PHE HA H 1 3.654 0.04 . 1 . . . . 74 PHE HA . 25451 1 891 . 1 1 76 76 PHE HB2 H 1 2.466 0.04 . 2 . . . . 74 PHE HB2 . 25451 1 892 . 1 1 76 76 PHE HB3 H 1 2.159 0.04 . 2 . . . . 74 PHE HB3 . 25451 1 893 . 1 1 76 76 PHE HD1 H 1 6.054 0.04 . 3 . . . . 74 PHE HD . 25451 1 894 . 1 1 76 76 PHE HD2 H 1 6.054 0.04 . 3 . . . . 74 PHE HD . 25451 1 895 . 1 1 76 76 PHE HE1 H 1 6.617 0.04 . 3 . . . . 74 PHE HE . 25451 1 896 . 1 1 76 76 PHE HE2 H 1 6.617 0.04 . 3 . . . . 74 PHE HE . 25451 1 897 . 1 1 76 76 PHE HZ H 1 5.995 0.04 . 1 . . . . 74 PHE HZ . 25451 1 898 . 1 1 76 76 PHE C C 13 174.893 0.40 . 1 . . . . 74 PHE C . 25451 1 899 . 1 1 76 76 PHE CA C 13 57.793 0.40 . 1 . . . . 74 PHE CA . 25451 1 900 . 1 1 76 76 PHE CB C 13 39.007 0.40 . 1 . . . . 74 PHE CB . 25451 1 901 . 1 1 76 76 PHE CD1 C 13 131.948 0.40 . 3 . . . . 74 PHE CD1 . 25451 1 902 . 1 1 76 76 PHE CZ C 13 128.459 0.40 . 1 . . . . 74 PHE CZ . 25451 1 903 . 1 1 76 76 PHE N N 15 124.981 0.40 . 1 . . . . 74 PHE N . 25451 1 904 . 1 1 77 77 ILE H H 1 8.161 0.04 . 1 . . . . 75 ILE H . 25451 1 905 . 1 1 77 77 ILE HA H 1 3.921 0.04 . 1 . . . . 75 ILE HA . 25451 1 906 . 1 1 77 77 ILE HB H 1 1.517 0.04 . 1 . . . . 75 ILE HB . 25451 1 907 . 1 1 77 77 ILE HG12 H 1 1.190 0.04 . 2 . . . . 75 ILE HG12 . 25451 1 908 . 1 1 77 77 ILE HG13 H 1 0.870 0.04 . 2 . . . . 75 ILE HG13 . 25451 1 909 . 1 1 77 77 ILE HG21 H 1 0.490 0.04 . 1 . . . . 75 ILE HG2 . 25451 1 910 . 1 1 77 77 ILE HG22 H 1 0.490 0.04 . 1 . . . . 75 ILE HG2 . 25451 1 911 . 1 1 77 77 ILE HG23 H 1 0.490 0.04 . 1 . . . . 75 ILE HG2 . 25451 1 912 . 1 1 77 77 ILE HD11 H 1 0.477 0.04 . 1 . . . . 75 ILE HD1 . 25451 1 913 . 1 1 77 77 ILE HD12 H 1 0.477 0.04 . 1 . . . . 75 ILE HD1 . 25451 1 914 . 1 1 77 77 ILE HD13 H 1 0.477 0.04 . 1 . . . . 75 ILE HD1 . 25451 1 915 . 1 1 77 77 ILE C C 13 174.126 0.40 . 1 . . . . 75 ILE C . 25451 1 916 . 1 1 77 77 ILE CA C 13 58.435 0.40 . 1 . . . . 75 ILE CA . 25451 1 917 . 1 1 77 77 ILE CB C 13 37.540 0.40 . 1 . . . . 75 ILE CB . 25451 1 918 . 1 1 77 77 ILE CG1 C 13 27.167 0.40 . 1 . . . . 75 ILE CG1 . 25451 1 919 . 1 1 77 77 ILE CG2 C 13 17.750 0.40 . 1 . . . . 75 ILE CG2 . 25451 1 920 . 1 1 77 77 ILE CD1 C 13 11.193 0.40 . 1 . . . . 75 ILE CD1 . 25451 1 921 . 1 1 77 77 ILE N N 15 126.539 0.40 . 1 . . . . 75 ILE N . 25451 1 922 . 1 1 78 78 GLY HA2 H 1 4.326 0.04 . 2 . . . . 76 GLY HA2 . 25451 1 923 . 1 1 78 78 GLY HA3 H 1 2.466 0.04 . 2 . . . . 76 GLY HA3 . 25451 1 924 . 1 1 78 78 GLY C C 13 171.625 0.40 . 1 . . . . 76 GLY C . 25451 1 925 . 1 1 78 78 GLY CA C 13 43.485 0.40 . 1 . . . . 76 GLY CA . 25451 1 926 . 1 1 79 79 GLY H H 1 9.114 0.04 . 1 . . . . 77 GLY H . 25451 1 927 . 1 1 79 79 GLY HA2 H 1 3.944 0.04 . 2 . . . . 77 GLY HA2 . 25451 1 928 . 1 1 79 79 GLY HA3 H 1 4.716 0.04 . 2 . . . . 77 GLY HA3 . 25451 1 929 . 1 1 79 79 GLY C C 13 174.601 0.40 . 1 . . . . 77 GLY C . 25451 1 930 . 1 1 79 79 GLY CA C 13 43.393 0.40 . 1 . . . . 77 GLY CA . 25451 1 931 . 1 1 79 79 GLY N N 15 109.825 0.40 . 1 . . . . 77 GLY N . 25451 1 932 . 1 1 80 80 CYS H H 1 8.571 0.04 . 1 . . . . 78 CYS H . 25451 1 933 . 1 1 80 80 CYS HA H 1 3.798 0.04 . 1 . . . . 78 CYS HA . 25451 1 934 . 1 1 80 80 CYS HB2 H 1 3.278 0.04 . 2 . . . . 78 CYS HB2 . 25451 1 935 . 1 1 80 80 CYS HB3 H 1 2.615 0.04 . 2 . . . . 78 CYS HB3 . 25451 1 936 . 1 1 80 80 CYS C C 13 176.153 0.40 . 1 . . . . 78 CYS C . 25451 1 937 . 1 1 80 80 CYS CA C 13 63.755 0.40 . 1 . . . . 78 CYS CA . 25451 1 938 . 1 1 80 80 CYS CB C 13 26.900 0.40 . 1 . . . . 78 CYS CB . 25451 1 939 . 1 1 80 80 CYS N N 15 120.844 0.40 . 1 . . . . 78 CYS N . 25451 1 940 . 1 1 81 81 SER HA H 1 3.903 0.04 . 1 . . . . 79 SER HA . 25451 1 941 . 1 1 81 81 SER HB2 H 1 4.301 0.04 . 2 . . . . 79 SER HB . 25451 1 942 . 1 1 81 81 SER HB3 H 1 4.301 0.04 . 2 . . . . 79 SER HB . 25451 1 943 . 1 1 81 81 SER C C 13 176.938 0.40 . 1 . . . . 79 SER C . 25451 1 944 . 1 1 81 81 SER CA C 13 61.370 0.40 . 1 . . . . 79 SER CA . 25451 1 945 . 1 1 82 82 ASP H H 1 7.060 0.04 . 1 . . . . 80 ASP H . 25451 1 946 . 1 1 82 82 ASP HA H 1 4.351 0.04 . 1 . . . . 80 ASP HA . 25451 1 947 . 1 1 82 82 ASP HB2 H 1 2.574 0.04 . 2 . . . . 80 ASP HB2 . 25451 1 948 . 1 1 82 82 ASP HB3 H 1 2.466 0.04 . 2 . . . . 80 ASP HB3 . 25451 1 949 . 1 1 82 82 ASP C C 13 177.613 0.40 . 1 . . . . 80 ASP C . 25451 1 950 . 1 1 82 82 ASP CA C 13 57.059 0.40 . 1 . . . . 80 ASP CA . 25451 1 951 . 1 1 82 82 ASP CB C 13 41.667 0.40 . 1 . . . . 80 ASP CB . 25451 1 952 . 1 1 82 82 ASP N N 15 122.306 0.40 . 1 . . . . 80 ASP N . 25451 1 953 . 1 1 83 83 LEU H H 1 7.793 0.04 . 1 . . . . 81 LEU H . 25451 1 954 . 1 1 83 83 LEU HA H 1 3.787 0.04 . 1 . . . . 81 LEU HA . 25451 1 955 . 1 1 83 83 LEU HB2 H 1 2.093 0.04 . 2 . . . . 81 LEU HB2 . 25451 1 956 . 1 1 83 83 LEU HB3 H 1 1.287 0.04 . 2 . . . . 81 LEU HB3 . 25451 1 957 . 1 1 83 83 LEU HG H 1 1.529 0.04 . 1 . . . . 81 LEU HG . 25451 1 958 . 1 1 83 83 LEU HD11 H 1 0.946 0.04 . 2 . . . . 81 LEU HD1 . 25451 1 959 . 1 1 83 83 LEU HD12 H 1 0.946 0.04 . 2 . . . . 81 LEU HD1 . 25451 1 960 . 1 1 83 83 LEU HD13 H 1 0.946 0.04 . 2 . . . . 81 LEU HD1 . 25451 1 961 . 1 1 83 83 LEU HD21 H 1 0.813 0.04 . 2 . . . . 81 LEU HD2 . 25451 1 962 . 1 1 83 83 LEU HD22 H 1 0.813 0.04 . 2 . . . . 81 LEU HD2 . 25451 1 963 . 1 1 83 83 LEU HD23 H 1 0.813 0.04 . 2 . . . . 81 LEU HD2 . 25451 1 964 . 1 1 83 83 LEU C C 13 177.577 0.40 . 1 . . . . 81 LEU C . 25451 1 965 . 1 1 83 83 LEU CA C 13 57.793 0.40 . 1 . . . . 81 LEU CA . 25451 1 966 . 1 1 83 83 LEU CB C 13 42.217 0.40 . 1 . . . . 81 LEU CB . 25451 1 967 . 1 1 83 83 LEU CG C 13 26.885 0.40 . 1 . . . . 81 LEU CG . 25451 1 968 . 1 1 83 83 LEU CD1 C 13 24.666 0.40 . 2 . . . . 81 LEU CD1 . 25451 1 969 . 1 1 83 83 LEU CD2 C 13 24.666 0.40 . 2 . . . . 81 LEU CD2 . 25451 1 970 . 1 1 83 83 LEU N N 15 121.622 0.40 . 1 . . . . 81 LEU N . 25451 1 971 . 1 1 84 84 GLU H H 1 8.432 0.04 . 1 . . . . 82 GLU H . 25451 1 972 . 1 1 84 84 GLU HA H 1 3.820 0.04 . 1 . . . . 82 GLU HA . 25451 1 973 . 1 1 84 84 GLU HB2 H 1 2.093 0.04 . 2 . . . . 82 GLU HB2 . 25451 1 974 . 1 1 84 84 GLU HB3 H 1 2.010 0.04 . 2 . . . . 82 GLU HB3 . 25451 1 975 . 1 1 84 84 GLU HG2 H 1 2.541 0.04 . 2 . . . . 82 GLU HG . 25451 1 976 . 1 1 84 84 GLU HG3 H 1 2.541 0.04 . 2 . . . . 82 GLU HG . 25451 1 977 . 1 1 84 84 GLU C C 13 178.781 0.40 . 1 . . . . 82 GLU C . 25451 1 978 . 1 1 84 84 GLU CA C 13 59.628 0.40 . 1 . . . . 82 GLU CA . 25451 1 979 . 1 1 84 84 GLU CB C 13 29.652 0.40 . 1 . . . . 82 GLU CB . 25451 1 980 . 1 1 84 84 GLU CG C 13 37.691 0.40 . 1 . . . . 82 GLU CG . 25451 1 981 . 1 1 84 84 GLU N N 15 117.782 0.40 . 1 . . . . 82 GLU N . 25451 1 982 . 1 1 85 85 ALA H H 1 7.890 0.04 . 1 . . . . 83 ALA H . 25451 1 983 . 1 1 85 85 ALA HA H 1 4.177 0.04 . 1 . . . . 83 ALA HA . 25451 1 984 . 1 1 85 85 ALA HB1 H 1 1.512 0.04 . 1 . . . . 83 ALA HB . 25451 1 985 . 1 1 85 85 ALA HB2 H 1 1.512 0.04 . 1 . . . . 83 ALA HB . 25451 1 986 . 1 1 85 85 ALA HB3 H 1 1.512 0.04 . 1 . . . . 83 ALA HB . 25451 1 987 . 1 1 85 85 ALA C C 13 179.512 0.40 . 1 . . . . 83 ALA C . 25451 1 988 . 1 1 85 85 ALA CA C 13 55.225 0.40 . 1 . . . . 83 ALA CA . 25451 1 989 . 1 1 85 85 ALA CB C 13 17.911 0.40 . 1 . . . . 83 ALA CB . 25451 1 990 . 1 1 85 85 ALA N N 15 122.983 0.40 . 1 . . . . 83 ALA N . 25451 1 991 . 1 1 86 86 LEU H H 1 7.567 0.04 . 1 . . . . 84 LEU H . 25451 1 992 . 1 1 86 86 LEU HA H 1 4.019 0.04 . 1 . . . . 84 LEU HA . 25451 1 993 . 1 1 86 86 LEU HB2 H 1 2.035 0.04 . 2 . . . . 84 LEU HB2 . 25451 1 994 . 1 1 86 86 LEU HB3 H 1 1.063 0.04 . 2 . . . . 84 LEU HB3 . 25451 1 995 . 1 1 86 86 LEU HG H 1 1.815 0.04 . 1 . . . . 84 LEU HG . 25451 1 996 . 1 1 86 86 LEU HD11 H 1 0.765 0.04 . 2 . . . . 84 LEU HD1 . 25451 1 997 . 1 1 86 86 LEU HD12 H 1 0.765 0.04 . 2 . . . . 84 LEU HD1 . 25451 1 998 . 1 1 86 86 LEU HD13 H 1 0.765 0.04 . 2 . . . . 84 LEU HD1 . 25451 1 999 . 1 1 86 86 LEU HD21 H 1 0.765 0.04 . 2 . . . . 84 LEU HD2 . 25451 1 1000 . 1 1 86 86 LEU HD22 H 1 0.765 0.04 . 2 . . . . 84 LEU HD2 . 25451 1 1001 . 1 1 86 86 LEU HD23 H 1 0.765 0.04 . 2 . . . . 84 LEU HD2 . 25451 1 1002 . 1 1 86 86 LEU C C 13 179.384 0.40 . 1 . . . . 84 LEU C . 25451 1 1003 . 1 1 86 86 LEU CA C 13 57.610 0.40 . 1 . . . . 84 LEU CA . 25451 1 1004 . 1 1 86 86 LEU CB C 13 42.951 0.40 . 1 . . . . 84 LEU CB . 25451 1 1005 . 1 1 86 86 LEU CG C 13 26.210 0.40 . 1 . . . . 84 LEU CG . 25451 1 1006 . 1 1 86 86 LEU CD1 C 13 23.316 0.40 . 2 . . . . 84 LEU CD1 . 25451 1 1007 . 1 1 86 86 LEU CD2 C 13 23.316 0.40 . 2 . . . . 84 LEU CD2 . 25451 1 1008 . 1 1 86 86 LEU N N 15 118.167 0.40 . 1 . . . . 84 LEU N . 25451 1 1009 . 1 1 87 87 ASP H H 1 7.985 0.04 . 1 . . . . 85 ASP H . 25451 1 1010 . 1 1 87 87 ASP HA H 1 4.501 0.04 . 1 . . . . 85 ASP HA . 25451 1 1011 . 1 1 87 87 ASP HB2 H 1 2.848 0.04 . 2 . . . . 85 ASP HB2 . 25451 1 1012 . 1 1 87 87 ASP HB3 H 1 2.516 0.04 . 2 . . . . 85 ASP HB3 . 25451 1 1013 . 1 1 87 87 ASP C C 13 179.183 0.40 . 1 . . . . 85 ASP C . 25451 1 1014 . 1 1 87 87 ASP CA C 13 56.784 0.40 . 1 . . . . 85 ASP CA . 25451 1 1015 . 1 1 87 87 ASP CB C 13 42.126 0.40 . 1 . . . . 85 ASP CB . 25451 1 1016 . 1 1 87 87 ASP N N 15 119.319 0.40 . 1 . . . . 85 ASP N . 25451 1 1017 . 1 1 88 88 LYS H H 1 8.461 0.04 . 1 . . . . 86 LYS H . 25451 1 1018 . 1 1 88 88 LYS HA H 1 4.036 0.04 . 1 . . . . 86 LYS HA . 25451 1 1019 . 1 1 88 88 LYS HB2 H 1 1.985 0.04 . 2 . . . . 86 LYS HB . 25451 1 1020 . 1 1 88 88 LYS HB3 H 1 1.985 0.04 . 2 . . . . 86 LYS HB . 25451 1 1021 . 1 1 88 88 LYS HG2 H 1 1.529 0.04 . 2 . . . . 86 LYS HG . 25451 1 1022 . 1 1 88 88 LYS HG3 H 1 1.529 0.04 . 2 . . . . 86 LYS HG . 25451 1 1023 . 1 1 88 88 LYS HD2 H 1 1.691 0.04 . 2 . . . . 86 LYS HD . 25451 1 1024 . 1 1 88 88 LYS HD3 H 1 1.691 0.04 . 2 . . . . 86 LYS HD . 25451 1 1025 . 1 1 88 88 LYS HE2 H 1 2.971 0.04 . 2 . . . . 86 LYS HE . 25451 1 1026 . 1 1 88 88 LYS HE3 H 1 2.971 0.04 . 2 . . . . 86 LYS HE . 25451 1 1027 . 1 1 88 88 LYS C C 13 178.398 0.40 . 1 . . . . 86 LYS C . 25451 1 1028 . 1 1 88 88 LYS CA C 13 59.077 0.40 . 1 . . . . 86 LYS CA . 25451 1 1029 . 1 1 88 88 LYS CB C 13 32.312 0.40 . 1 . . . . 86 LYS CB . 25451 1 1030 . 1 1 88 88 LYS CG C 13 24.956 0.40 . 1 . . . . 86 LYS CG . 25451 1 1031 . 1 1 88 88 LYS CD C 13 29.008 0.40 . 1 . . . . 86 LYS CD . 25451 1 1032 . 1 1 88 88 LYS CE C 13 42.033 0.40 . 1 . . . . 86 LYS CE . 25451 1 1033 . 1 1 88 88 LYS N N 15 121.821 0.40 . 1 . . . . 86 LYS N . 25451 1 1034 . 1 1 89 89 GLU H H 1 7.838 0.04 . 1 . . . . 87 GLU H . 25451 1 1035 . 1 1 89 89 GLU HA H 1 4.310 0.04 . 1 . . . . 87 GLU HA . 25451 1 1036 . 1 1 89 89 GLU HB2 H 1 2.226 0.04 . 2 . . . . 87 GLU HB2 . 25451 1 1037 . 1 1 89 89 GLU HB3 H 1 1.985 0.04 . 2 . . . . 87 GLU HB3 . 25451 1 1038 . 1 1 89 89 GLU HG2 H 1 2.484 0.04 . 2 . . . . 87 GLU HG2 . 25451 1 1039 . 1 1 89 89 GLU HG3 H 1 2.331 0.04 . 2 . . . . 87 GLU HG3 . 25451 1 1040 . 1 1 89 89 GLU C C 13 176.426 0.40 . 1 . . . . 87 GLU C . 25451 1 1041 . 1 1 89 89 GLU CA C 13 56.142 0.40 . 1 . . . . 87 GLU CA . 25451 1 1042 . 1 1 89 89 GLU CB C 13 30.477 0.40 . 1 . . . . 87 GLU CB . 25451 1 1043 . 1 1 89 89 GLU CG C 13 36.630 0.40 . 1 . . . . 87 GLU CG . 25451 1 1044 . 1 1 89 89 GLU N N 15 115.576 0.40 . 1 . . . . 87 GLU N . 25451 1 1045 . 1 1 90 90 GLY H H 1 7.992 0.04 . 1 . . . . 88 GLY H . 25451 1 1046 . 1 1 90 90 GLY HA2 H 1 4.085 0.04 . 2 . . . . 88 GLY HA . 25451 1 1047 . 1 1 90 90 GLY HA3 H 1 4.085 0.04 . 2 . . . . 88 GLY HA . 25451 1 1048 . 1 1 90 90 GLY C C 13 175.605 0.40 . 1 . . . . 88 GLY C . 25451 1 1049 . 1 1 90 90 GLY CA C 13 46.145 0.40 . 1 . . . . 88 GLY CA . 25451 1 1050 . 1 1 90 90 GLY N N 15 108.702 0.40 . 1 . . . . 88 GLY N . 25451 1 1051 . 1 1 91 91 LYS H H 1 8.047 0.04 . 1 . . . . 89 LYS H . 25451 1 1052 . 1 1 91 91 LYS HA H 1 4.326 0.04 . 1 . . . . 89 LYS HA . 25451 1 1053 . 1 1 91 91 LYS HB2 H 1 1.943 0.04 . 2 . . . . 89 LYS HB2 . 25451 1 1054 . 1 1 91 91 LYS HB3 H 1 1.644 0.04 . 2 . . . . 89 LYS HB3 . 25451 1 1055 . 1 1 91 91 LYS HG2 H 1 1.386 0.04 . 2 . . . . 89 LYS HG . 25451 1 1056 . 1 1 91 91 LYS HG3 H 1 1.386 0.04 . 2 . . . . 89 LYS HG . 25451 1 1057 . 1 1 91 91 LYS HD2 H 1 1.644 0.04 . 2 . . . . 89 LYS HD . 25451 1 1058 . 1 1 91 91 LYS HD3 H 1 1.644 0.04 . 2 . . . . 89 LYS HD . 25451 1 1059 . 1 1 91 91 LYS HE2 H 1 2.951 0.04 . 2 . . . . 89 LYS HE . 25451 1 1060 . 1 1 91 91 LYS HE3 H 1 2.951 0.04 . 2 . . . . 89 LYS HE . 25451 1 1061 . 1 1 91 91 LYS C C 13 177.138 0.40 . 1 . . . . 89 LYS C . 25451 1 1062 . 1 1 91 91 LYS CA C 13 56.417 0.40 . 1 . . . . 89 LYS CA . 25451 1 1063 . 1 1 91 91 LYS CB C 13 35.247 0.40 . 1 . . . . 89 LYS CB . 25451 1 1064 . 1 1 91 91 LYS CG C 13 25.535 0.40 . 1 . . . . 89 LYS CG . 25451 1 1065 . 1 1 91 91 LYS CD C 13 29.008 0.40 . 1 . . . . 89 LYS CD . 25451 1 1066 . 1 1 91 91 LYS CE C 13 42.226 0.40 . 1 . . . . 89 LYS CE . 25451 1 1067 . 1 1 91 91 LYS N N 15 117.435 0.40 . 1 . . . . 89 LYS N . 25451 1 1068 . 1 1 92 92 LEU H H 1 7.582 0.04 . 1 . . . . 90 LEU H . 25451 1 1069 . 1 1 92 92 LEU HA H 1 3.953 0.04 . 1 . . . . 90 LEU HA . 25451 1 1070 . 1 1 92 92 LEU HB2 H 1 1.894 0.04 . 2 . . . . 90 LEU HB2 . 25451 1 1071 . 1 1 92 92 LEU HB3 H 1 1.096 0.04 . 2 . . . . 90 LEU HB3 . 25451 1 1072 . 1 1 92 92 LEU HG H 1 1.433 0.04 . 1 . . . . 90 LEU HG . 25451 1 1073 . 1 1 92 92 LEU HD11 H 1 0.727 0.04 . 2 . . . . 90 LEU HD1 . 25451 1 1074 . 1 1 92 92 LEU HD12 H 1 0.727 0.04 . 2 . . . . 90 LEU HD1 . 25451 1 1075 . 1 1 92 92 LEU HD13 H 1 0.727 0.04 . 2 . . . . 90 LEU HD1 . 25451 1 1076 . 1 1 92 92 LEU HD21 H 1 0.727 0.04 . 2 . . . . 90 LEU HD2 . 25451 1 1077 . 1 1 92 92 LEU HD22 H 1 0.727 0.04 . 2 . . . . 90 LEU HD2 . 25451 1 1078 . 1 1 92 92 LEU HD23 H 1 0.727 0.04 . 2 . . . . 90 LEU HD2 . 25451 1 1079 . 1 1 92 92 LEU C C 13 177.138 0.40 . 1 . . . . 90 LEU C . 25451 1 1080 . 1 1 92 92 LEU CA C 13 57.426 0.40 . 1 . . . . 90 LEU CA . 25451 1 1081 . 1 1 92 92 LEU CB C 13 41.300 0.40 . 1 . . . . 90 LEU CB . 25451 1 1082 . 1 1 92 92 LEU CG C 13 26.885 0.40 . 1 . . . . 90 LEU CG . 25451 1 1083 . 1 1 92 92 LEU CD1 C 13 25.342 0.40 . 2 . . . . 90 LEU CD1 . 25451 1 1084 . 1 1 92 92 LEU CD2 C 13 23.412 0.40 . 2 . . . . 90 LEU CD2 . 25451 1 1085 . 1 1 92 92 LEU N N 15 121.721 0.40 . 1 . . . . 90 LEU N . 25451 1 1086 . 1 1 93 93 ASP H H 1 8.194 0.04 . 1 . . . . 91 ASP H . 25451 1 1087 . 1 1 93 93 ASP HA H 1 4.218 0.04 . 1 . . . . 91 ASP HA . 25451 1 1088 . 1 1 93 93 ASP HB2 H 1 2.591 0.04 . 2 . . . . 91 ASP HB2 . 25451 1 1089 . 1 1 93 93 ASP HB3 H 1 2.491 0.04 . 2 . . . . 91 ASP HB3 . 25451 1 1090 . 1 1 93 93 ASP C C 13 178.964 0.40 . 1 . . . . 91 ASP C . 25451 1 1091 . 1 1 93 93 ASP CA C 13 57.885 0.40 . 1 . . . . 91 ASP CA . 25451 1 1092 . 1 1 93 93 ASP CB C 13 40.016 0.40 . 1 . . . . 91 ASP CB . 25451 1 1093 . 1 1 93 93 ASP N N 15 118.112 0.40 . 1 . . . . 91 ASP N . 25451 1 1094 . 1 1 94 94 GLY H H 1 8.271 0.04 . 1 . . . . 92 GLY H . 25451 1 1095 . 1 1 94 94 GLY HA2 H 1 3.886 0.04 . 2 . . . . 92 GLY HA2 . 25451 1 1096 . 1 1 94 94 GLY HA3 H 1 3.795 0.04 . 2 . . . . 92 GLY HA3 . 25451 1 1097 . 1 1 94 94 GLY C C 13 175.988 0.40 . 1 . . . . 92 GLY C . 25451 1 1098 . 1 1 94 94 GLY CA C 13 46.328 0.40 . 1 . . . . 92 GLY CA . 25451 1 1099 . 1 1 94 94 GLY N N 15 107.092 0.40 . 1 . . . . 92 GLY N . 25451 1 1100 . 1 1 95 95 LEU H H 1 7.475 0.04 . 1 . . . . 93 LEU H . 25451 1 1101 . 1 1 95 95 LEU HA H 1 4.252 0.04 . 1 . . . . 93 LEU HA . 25451 1 1102 . 1 1 95 95 LEU HB2 H 1 1.943 0.04 . 2 . . . . 93 LEU HB2 . 25451 1 1103 . 1 1 95 95 LEU HB3 H 1 1.404 0.04 . 2 . . . . 93 LEU HB3 . 25451 1 1104 . 1 1 95 95 LEU HG H 1 1.844 0.04 . 1 . . . . 93 LEU HG . 25451 1 1105 . 1 1 95 95 LEU HD11 H 1 0.841 0.04 . 2 . . . . 93 LEU HD . 25451 1 1106 . 1 1 95 95 LEU HD12 H 1 0.841 0.04 . 2 . . . . 93 LEU HD . 25451 1 1107 . 1 1 95 95 LEU HD13 H 1 0.841 0.04 . 2 . . . . 93 LEU HD . 25451 1 1108 . 1 1 95 95 LEU HD21 H 1 0.841 0.04 . 2 . . . . 93 LEU HD . 25451 1 1109 . 1 1 95 95 LEU HD22 H 1 0.841 0.04 . 2 . . . . 93 LEU HD . 25451 1 1110 . 1 1 95 95 LEU HD23 H 1 0.841 0.04 . 2 . . . . 93 LEU HD . 25451 1 1111 . 1 1 95 95 LEU C C 13 177.905 0.40 . 1 . . . . 93 LEU C . 25451 1 1112 . 1 1 95 95 LEU CA C 13 56.417 0.40 . 1 . . . . 93 LEU CA . 25451 1 1113 . 1 1 95 95 LEU CB C 13 42.859 0.40 . 1 . . . . 93 LEU CB . 25451 1 1114 . 1 1 95 95 LEU CG C 13 26.307 0.40 . 1 . . . . 93 LEU CG . 25451 1 1115 . 1 1 95 95 LEU CD1 C 13 22.447 0.40 . 2 . . . . 93 LEU CD1 . 25451 1 1116 . 1 1 95 95 LEU CD2 C 13 22.447 0.40 . 2 . . . . 93 LEU CD2 . 25451 1 1117 . 1 1 95 95 LEU N N 15 120.552 0.40 . 1 . . . . 93 LEU N . 25451 1 1118 . 1 1 96 96 LEU H H 1 7.394 0.04 . 1 . . . . 94 LEU H . 25451 1 1119 . 1 1 96 96 LEU HA H 1 4.260 0.04 . 1 . . . . 94 LEU HA . 25451 1 1120 . 1 1 96 96 LEU HB2 H 1 1.819 0.04 . 2 . . . . 94 LEU HB2 . 25451 1 1121 . 1 1 96 96 LEU HB3 H 1 1.586 0.04 . 2 . . . . 94 LEU HB3 . 25451 1 1122 . 1 1 96 96 LEU HG H 1 1.720 0.04 . 1 . . . . 94 LEU HG . 25451 1 1123 . 1 1 96 96 LEU HD11 H 1 0.669 0.04 . 2 . . . . 94 LEU HD . 25451 1 1124 . 1 1 96 96 LEU HD12 H 1 0.669 0.04 . 2 . . . . 94 LEU HD . 25451 1 1125 . 1 1 96 96 LEU HD13 H 1 0.669 0.04 . 2 . . . . 94 LEU HD . 25451 1 1126 . 1 1 96 96 LEU HD21 H 1 0.669 0.04 . 2 . . . . 94 LEU HD . 25451 1 1127 . 1 1 96 96 LEU HD22 H 1 0.669 0.04 . 2 . . . . 94 LEU HD . 25451 1 1128 . 1 1 96 96 LEU HD23 H 1 0.669 0.04 . 2 . . . . 94 LEU HD . 25451 1 1129 . 1 1 96 96 LEU C C 13 175.806 0.40 . 1 . . . . 94 LEU C . 25451 1 1130 . 1 1 96 96 LEU CA C 13 54.491 0.40 . 1 . . . . 94 LEU CA . 25451 1 1131 . 1 1 96 96 LEU CB C 13 42.401 0.40 . 1 . . . . 94 LEU CB . 25451 1 1132 . 1 1 96 96 LEU CG C 13 26.403 0.40 . 1 . . . . 94 LEU CG . 25451 1 1133 . 1 1 96 96 LEU N N 15 116.261 0.40 . 1 . . . . 94 LEU N . 25451 1 1134 . 1 1 97 97 SER H H 1 7.357 0.04 . 1 . . . . 95 SER H . 25451 1 1135 . 1 1 97 97 SER C C 13 178.453 0.40 . 1 . . . . 95 SER C . 25451 1 1136 . 1 1 97 97 SER CA C 13 60.637 0.40 . 1 . . . . 95 SER CA . 25451 1 1137 . 1 1 97 97 SER CB C 13 64.781 0.40 . 1 . . . . 95 SER CB . 25451 1 1138 . 1 1 97 97 SER N N 15 121.433 0.40 . 1 . . . . 95 SER N . 25451 1 stop_ save_