data_25927 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25927 _Entry.Title ; Curli secretion specificity factor CsgE W48A/F79A mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-21 _Entry.Accession_date 2015-12-21 _Entry.Last_release_date 2016-06-13 _Entry.Original_release_date 2016-06-13 _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 'curli secretion specificity factor' _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 Qin Shu . . . . 25927 2 Andrzej Krezel . M. . . 25927 3 Carl Frieden . . . . 25927 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' . 25927 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Curli production regulator' . 25927 'curli assembly/transport component' . 25927 protein . 25927 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25927 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 25927 '15N chemical shifts' 116 25927 '1H chemical shifts' 747 25927 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 . . 2016-07-22 2015-12-21 update BMRB 'update entry citation' 25927 1 . . 2016-06-13 2015-12-21 original author 'original release' 25927 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID GB ECK1025 . 25927 NCBI 945711 'Gene ID of csgE,curli secretion specificity factor' 25927 PDB 2NA4 'BMRB Entry Tracking System' 25927 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25927 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27298344 _Citation.Full_citation . _Citation.Title ; Solution NMR structure of CsgE: Structural insights into a chaperone and regulator protein important for functional amyloid formation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 113 _Citation.Journal_issue 26 _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 7130 _Citation.Page_last 7135 _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 Qin Shu . . . . 25927 1 2 Andrzej Krezel . M. . . 25927 1 3 Scott Hultgren . J. . . 25927 1 4 Carl Frieden . . . . 25927 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25927 _Assembly.ID 1 _Assembly.Name 'Curli secretion specificity factor CsgE W48A/F79A mutant' _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 . . . 25927 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25927 _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 ; AVEVEVPGLLTDHTVSSIGH DFYRAFSDKWESDYTGNLTI NERPSARAGSWITITVNQDV IFQTFLFPLKRDFEKTVVAA LIQTEEALNRRQINQALLST GDLAHDEF ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; W48A F79A ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13021.44 _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 P0AE95 . CSGE_ECOLI . . . . . . . . . . . . . . 25927 1 2 yes GB ECK1025 . csgE . . . . . . . . . . . . . . 25927 1 3 yes NCBI 945711 . csgE . . . . . . . . . . . . . . 25927 1 4 yes GB EcoGene:EG13411 . csgE . . . . . . . . . . . . . . 25927 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 ALA . 25927 1 2 2 VAL . 25927 1 3 3 GLU . 25927 1 4 4 VAL . 25927 1 5 5 GLU . 25927 1 6 6 VAL . 25927 1 7 7 PRO . 25927 1 8 8 GLY . 25927 1 9 9 LEU . 25927 1 10 10 LEU . 25927 1 11 11 THR . 25927 1 12 12 ASP . 25927 1 13 13 HIS . 25927 1 14 14 THR . 25927 1 15 15 VAL . 25927 1 16 16 SER . 25927 1 17 17 SER . 25927 1 18 18 ILE . 25927 1 19 19 GLY . 25927 1 20 20 HIS . 25927 1 21 21 ASP . 25927 1 22 22 PHE . 25927 1 23 23 TYR . 25927 1 24 24 ARG . 25927 1 25 25 ALA . 25927 1 26 26 PHE . 25927 1 27 27 SER . 25927 1 28 28 ASP . 25927 1 29 29 LYS . 25927 1 30 30 TRP . 25927 1 31 31 GLU . 25927 1 32 32 SER . 25927 1 33 33 ASP . 25927 1 34 34 TYR . 25927 1 35 35 THR . 25927 1 36 36 GLY . 25927 1 37 37 ASN . 25927 1 38 38 LEU . 25927 1 39 39 THR . 25927 1 40 40 ILE . 25927 1 41 41 ASN . 25927 1 42 42 GLU . 25927 1 43 43 ARG . 25927 1 44 44 PRO . 25927 1 45 45 SER . 25927 1 46 46 ALA . 25927 1 47 47 ARG . 25927 1 48 48 ALA . 25927 1 49 49 GLY . 25927 1 50 50 SER . 25927 1 51 51 TRP . 25927 1 52 52 ILE . 25927 1 53 53 THR . 25927 1 54 54 ILE . 25927 1 55 55 THR . 25927 1 56 56 VAL . 25927 1 57 57 ASN . 25927 1 58 58 GLN . 25927 1 59 59 ASP . 25927 1 60 60 VAL . 25927 1 61 61 ILE . 25927 1 62 62 PHE . 25927 1 63 63 GLN . 25927 1 64 64 THR . 25927 1 65 65 PHE . 25927 1 66 66 LEU . 25927 1 67 67 PHE . 25927 1 68 68 PRO . 25927 1 69 69 LEU . 25927 1 70 70 LYS . 25927 1 71 71 ARG . 25927 1 72 72 ASP . 25927 1 73 73 PHE . 25927 1 74 74 GLU . 25927 1 75 75 LYS . 25927 1 76 76 THR . 25927 1 77 77 VAL . 25927 1 78 78 VAL . 25927 1 79 79 ALA . 25927 1 80 80 ALA . 25927 1 81 81 LEU . 25927 1 82 82 ILE . 25927 1 83 83 GLN . 25927 1 84 84 THR . 25927 1 85 85 GLU . 25927 1 86 86 GLU . 25927 1 87 87 ALA . 25927 1 88 88 LEU . 25927 1 89 89 ASN . 25927 1 90 90 ARG . 25927 1 91 91 ARG . 25927 1 92 92 GLN . 25927 1 93 93 ILE . 25927 1 94 94 ASN . 25927 1 95 95 GLN . 25927 1 96 96 ALA . 25927 1 97 97 LEU . 25927 1 98 98 LEU . 25927 1 99 99 SER . 25927 1 100 100 THR . 25927 1 101 101 GLY . 25927 1 102 102 ASP . 25927 1 103 103 LEU . 25927 1 104 104 ALA . 25927 1 105 105 HIS . 25927 1 106 106 ASP . 25927 1 107 107 GLU . 25927 1 108 108 PHE . 25927 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 . ALA 1 1 25927 1 . VAL 2 2 25927 1 . GLU 3 3 25927 1 . VAL 4 4 25927 1 . GLU 5 5 25927 1 . VAL 6 6 25927 1 . PRO 7 7 25927 1 . GLY 8 8 25927 1 . LEU 9 9 25927 1 . LEU 10 10 25927 1 . THR 11 11 25927 1 . ASP 12 12 25927 1 . HIS 13 13 25927 1 . THR 14 14 25927 1 . VAL 15 15 25927 1 . SER 16 16 25927 1 . SER 17 17 25927 1 . ILE 18 18 25927 1 . GLY 19 19 25927 1 . HIS 20 20 25927 1 . ASP 21 21 25927 1 . PHE 22 22 25927 1 . TYR 23 23 25927 1 . ARG 24 24 25927 1 . ALA 25 25 25927 1 . PHE 26 26 25927 1 . SER 27 27 25927 1 . ASP 28 28 25927 1 . LYS 29 29 25927 1 . TRP 30 30 25927 1 . GLU 31 31 25927 1 . SER 32 32 25927 1 . ASP 33 33 25927 1 . TYR 34 34 25927 1 . THR 35 35 25927 1 . GLY 36 36 25927 1 . ASN 37 37 25927 1 . LEU 38 38 25927 1 . THR 39 39 25927 1 . ILE 40 40 25927 1 . ASN 41 41 25927 1 . GLU 42 42 25927 1 . ARG 43 43 25927 1 . PRO 44 44 25927 1 . SER 45 45 25927 1 . ALA 46 46 25927 1 . ARG 47 47 25927 1 . ALA 48 48 25927 1 . GLY 49 49 25927 1 . SER 50 50 25927 1 . TRP 51 51 25927 1 . ILE 52 52 25927 1 . THR 53 53 25927 1 . ILE 54 54 25927 1 . THR 55 55 25927 1 . VAL 56 56 25927 1 . ASN 57 57 25927 1 . GLN 58 58 25927 1 . ASP 59 59 25927 1 . VAL 60 60 25927 1 . ILE 61 61 25927 1 . PHE 62 62 25927 1 . GLN 63 63 25927 1 . THR 64 64 25927 1 . PHE 65 65 25927 1 . LEU 66 66 25927 1 . PHE 67 67 25927 1 . PRO 68 68 25927 1 . LEU 69 69 25927 1 . LYS 70 70 25927 1 . ARG 71 71 25927 1 . ASP 72 72 25927 1 . PHE 73 73 25927 1 . GLU 74 74 25927 1 . LYS 75 75 25927 1 . THR 76 76 25927 1 . VAL 77 77 25927 1 . VAL 78 78 25927 1 . ALA 79 79 25927 1 . ALA 80 80 25927 1 . LEU 81 81 25927 1 . ILE 82 82 25927 1 . GLN 83 83 25927 1 . THR 84 84 25927 1 . GLU 85 85 25927 1 . GLU 86 86 25927 1 . ALA 87 87 25927 1 . LEU 88 88 25927 1 . ASN 89 89 25927 1 . ARG 90 90 25927 1 . ARG 91 91 25927 1 . GLN 92 92 25927 1 . ILE 93 93 25927 1 . ASN 94 94 25927 1 . GLN 95 95 25927 1 . ALA 96 96 25927 1 . LEU 97 97 25927 1 . LEU 98 98 25927 1 . SER 99 99 25927 1 . THR 100 100 25927 1 . GLY 101 101 25927 1 . ASP 102 102 25927 1 . LEU 103 103 25927 1 . ALA 104 104 25927 1 . HIS 105 105 25927 1 . ASP 106 106 25927 1 . GLU 107 107 25927 1 . PHE 108 108 25927 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 25927 _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 . 562 organism . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli K-12 MC4100 . . . . . . . . . csgE . 25927 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 25927 _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 BL21(DE3) . . . . . pET11d . . . 25927 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 25927 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 180 . . uM . . . . 25927 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25927 1 3 D2O '[U-100% 13C; U-100% 15N; U-80% 2H]' . . . . . . 10 . . % . . . . 25927 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25927 1 stop_ save_ save_15N-13C _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C _Sample.Entry_ID 25927 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 180 . . uM . . . . 25927 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25927 2 3 D2O '[U-100% 13C; U-100% 15N; U-80% 2H]' . . . . . . 10 . . % . . . . 25927 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25927 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25927 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 25927 1 pH 5.8 . pH 25927 1 pressure 1 . atm 25927 1 temperature 273 . K 25927 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25927 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25927 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25927 1 'data analysis' 25927 1 processing 25927 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25927 _Software.ID 2 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25927 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25927 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25927 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25927 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25927 3 'peak picking' 25927 3 stop_ save_ save_Amber _Software.Sf_category software _Software.Sf_framecode Amber _Software.Entry_ID 25927 _Software.ID 4 _Software.Name Amber _Software.Version 12 _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' . . 25927 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25927 4 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 25927 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25927 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25927 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25927 _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 . 600 . . . 25927 1 2 spectrometer_2 Bruker DMX . 750 . . . 25927 1 3 spectrometer_3 Bruker Avance . 800 . . . 25927 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 25927 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 7 '3D HNCO' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 8 '3D HNCACB' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 10 '3D C(CO)NH' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25927 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25927 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25927 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 25927 _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 . . . . . 25927 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25927 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25927 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 25927 _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 '2D 1H-15N HSQC' . . . 25927 1 2 '2D 1H-13C HSQC' . . . 25927 1 3 '2D 1H-13C HSQC aromatic' . . . 25927 1 4 '2D 1H-13C HSQC aliphatic' . . . 25927 1 5 '3D CBCA(CO)NH' . . . 25927 1 6 '3D C(CO)NH' . . . 25927 1 7 '3D HNCO' . . . 25927 1 8 '3D HNCACB' . . . 25927 1 9 '3D HN(CO)CA' . . . 25927 1 11 '3D H(CCO)NH' . . . 25927 1 14 '3D 1H-13C NOESY aromatic' . . . 25927 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25927 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 1 1 ALA HA H 1 4.130 0.007 . 1 . . . A 1 ALA HA . 25927 1 2 . 1 1 1 1 ALA HB1 H 1 1.522 0.004 . 2 . . . A 1 ALA HB1 . 25927 1 3 . 1 1 1 1 ALA HB2 H 1 1.522 0.004 . 2 . . . A 1 ALA HB2 . 25927 1 4 . 1 1 1 1 ALA HB3 H 1 1.522 0.004 . 2 . . . A 1 ALA HB3 . 25927 1 5 . 1 1 1 1 ALA C C 13 173.740 0.000 . 1 . . . A 1 ALA C . 25927 1 6 . 1 1 1 1 ALA CA C 13 51.786 0.018 . 1 . . . A 1 ALA CA . 25927 1 7 . 1 1 1 1 ALA CB C 13 19.494 0.036 . 1 . . . A 1 ALA CB . 25927 1 8 . 1 1 2 2 VAL H H 1 8.453 0.007 . 1 . . . A 2 VAL H . 25927 1 9 . 1 1 2 2 VAL HA H 1 4.132 0.006 . 1 . . . A 2 VAL HA . 25927 1 10 . 1 1 2 2 VAL HB H 1 2.063 0.002 . 1 . . . A 2 VAL HB . 25927 1 11 . 1 1 2 2 VAL HG11 H 1 0.938 0.006 . 2 . . . A 2 VAL HG11 . 25927 1 12 . 1 1 2 2 VAL HG12 H 1 0.938 0.006 . 2 . . . A 2 VAL HG12 . 25927 1 13 . 1 1 2 2 VAL HG13 H 1 0.938 0.006 . 2 . . . A 2 VAL HG13 . 25927 1 14 . 1 1 2 2 VAL HG21 H 1 0.938 0.006 . 2 . . . A 2 VAL HG21 . 25927 1 15 . 1 1 2 2 VAL HG22 H 1 0.938 0.006 . 2 . . . A 2 VAL HG22 . 25927 1 16 . 1 1 2 2 VAL HG23 H 1 0.938 0.006 . 2 . . . A 2 VAL HG23 . 25927 1 17 . 1 1 2 2 VAL C C 13 175.957 0.008 . 1 . . . A 2 VAL C . 25927 1 18 . 1 1 2 2 VAL CA C 13 62.517 0.031 . 1 . . . A 2 VAL CA . 25927 1 19 . 1 1 2 2 VAL CB C 13 32.676 0.011 . 1 . . . A 2 VAL CB . 25927 1 20 . 1 1 2 2 VAL CG1 C 13 21.193 0.006 . 1 . . . A 2 VAL CG1 . 25927 1 21 . 1 1 2 2 VAL CG2 C 13 20.454 0.033 . 1 . . . A 2 VAL CG2 . 25927 1 22 . 1 1 2 2 VAL N N 15 119.413 0.024 . 1 . . . A 2 VAL N . 25927 1 23 . 1 1 3 3 GLU H H 1 8.587 0.004 . 1 . . . A 3 GLU H . 25927 1 24 . 1 1 3 3 GLU HA H 1 4.348 0.008 . 1 . . . A 3 GLU HA . 25927 1 25 . 1 1 3 3 GLU HB2 H 1 1.994 0.009 . 1 . . . A 3 GLU HB2 . 25927 1 26 . 1 1 3 3 GLU HB3 H 1 1.913 0.006 . 1 . . . A 3 GLU HB3 . 25927 1 27 . 1 1 3 3 GLU HG2 H 1 2.285 0.013 . 1 . . . A 3 GLU HG2 . 25927 1 28 . 1 1 3 3 GLU HG3 H 1 2.193 0.006 . 1 . . . A 3 GLU HG3 . 25927 1 29 . 1 1 3 3 GLU C C 13 176.154 0.004 . 1 . . . A 3 GLU C . 25927 1 30 . 1 1 3 3 GLU CA C 13 56.469 0.040 . 1 . . . A 3 GLU CA . 25927 1 31 . 1 1 3 3 GLU CB C 13 30.382 0.030 . 1 . . . A 3 GLU CB . 25927 1 32 . 1 1 3 3 GLU CG C 13 36.113 0.019 . 1 . . . A 3 GLU CG . 25927 1 33 . 1 1 3 3 GLU N N 15 125.255 0.030 . 1 . . . A 3 GLU N . 25927 1 34 . 1 1 4 4 VAL H H 1 8.172 0.004 . 1 . . . A 4 VAL H . 25927 1 35 . 1 1 4 4 VAL HA H 1 4.121 0.000 . 1 . . . A 4 VAL HA . 25927 1 36 . 1 1 4 4 VAL HB H 1 2.050 0.002 . 1 . . . A 4 VAL HB . 25927 1 37 . 1 1 4 4 VAL HG11 H 1 0.922 0.002 . 2 . . . A 4 VAL HG11 . 25927 1 38 . 1 1 4 4 VAL HG12 H 1 0.922 0.002 . 2 . . . A 4 VAL HG12 . 25927 1 39 . 1 1 4 4 VAL HG13 H 1 0.922 0.002 . 2 . . . A 4 VAL HG13 . 25927 1 40 . 1 1 4 4 VAL HG21 H 1 0.922 0.002 . 2 . . . A 4 VAL HG21 . 25927 1 41 . 1 1 4 4 VAL HG22 H 1 0.922 0.002 . 2 . . . A 4 VAL HG22 . 25927 1 42 . 1 1 4 4 VAL HG23 H 1 0.922 0.002 . 2 . . . A 4 VAL HG23 . 25927 1 43 . 1 1 4 4 VAL C C 13 175.762 0.002 . 1 . . . A 4 VAL C . 25927 1 44 . 1 1 4 4 VAL CA C 13 62.028 0.015 . 1 . . . A 4 VAL CA . 25927 1 45 . 1 1 4 4 VAL CB C 13 33.056 0.031 . 1 . . . A 4 VAL CB . 25927 1 46 . 1 1 4 4 VAL CG1 C 13 21.272 0.000 . 1 . . . A 4 VAL CG1 . 25927 1 47 . 1 1 4 4 VAL CG2 C 13 20.692 0.319 . 1 . . . A 4 VAL CG2 . 25927 1 48 . 1 1 4 4 VAL N N 15 121.132 0.032 . 1 . . . A 4 VAL N . 25927 1 49 . 1 1 5 5 GLU H H 1 8.472 0.004 . 1 . . . A 5 GLU H . 25927 1 50 . 1 1 5 5 GLU HA H 1 4.324 0.003 . 1 . . . A 5 GLU HA . 25927 1 51 . 1 1 5 5 GLU HB2 H 1 1.970 0.005 . 1 . . . A 5 GLU HB2 . 25927 1 52 . 1 1 5 5 GLU HB3 H 1 1.916 0.004 . 1 . . . A 5 GLU HB3 . 25927 1 53 . 1 1 5 5 GLU HG2 H 1 2.271 0.008 . 1 . . . A 5 GLU HG2 . 25927 1 54 . 1 1 5 5 GLU HG3 H 1 2.201 0.009 . 1 . . . A 5 GLU HG3 . 25927 1 55 . 1 1 5 5 GLU C C 13 176.006 0.015 . 1 . . . A 5 GLU C . 25927 1 56 . 1 1 5 5 GLU CA C 13 56.389 0.032 . 1 . . . A 5 GLU CA . 25927 1 57 . 1 1 5 5 GLU CB C 13 30.419 0.020 . 1 . . . A 5 GLU CB . 25927 1 58 . 1 1 5 5 GLU CG C 13 36.179 0.056 . 1 . . . A 5 GLU CG . 25927 1 59 . 1 1 5 5 GLU N N 15 125.223 0.031 . 1 . . . A 5 GLU N . 25927 1 60 . 1 1 6 6 VAL H H 1 8.288 0.002 . 1 . . . A 6 VAL H . 25927 1 61 . 1 1 6 6 VAL HA H 1 4.436 0.003 . 1 . . . A 6 VAL HA . 25927 1 62 . 1 1 6 6 VAL HB H 1 2.090 0.000 . 1 . . . A 6 VAL HB . 25927 1 63 . 1 1 6 6 VAL HG11 H 1 0.949 0.000 . 2 . . . A 6 VAL HG11 . 25927 1 64 . 1 1 6 6 VAL HG12 H 1 0.949 0.000 . 2 . . . A 6 VAL HG12 . 25927 1 65 . 1 1 6 6 VAL HG13 H 1 0.949 0.000 . 2 . . . A 6 VAL HG13 . 25927 1 66 . 1 1 6 6 VAL HG21 H 1 0.949 0.000 . 2 . . . A 6 VAL HG21 . 25927 1 67 . 1 1 6 6 VAL HG22 H 1 0.949 0.000 . 2 . . . A 6 VAL HG22 . 25927 1 68 . 1 1 6 6 VAL HG23 H 1 0.949 0.000 . 2 . . . A 6 VAL HG23 . 25927 1 69 . 1 1 6 6 VAL CA C 13 59.746 0.021 . 1 . . . A 6 VAL CA . 25927 1 70 . 1 1 6 6 VAL CB C 13 32.738 0.000 . 1 . . . A 6 VAL CB . 25927 1 71 . 1 1 6 6 VAL N N 15 123.435 0.048 . 1 . . . A 6 VAL N . 25927 1 72 . 1 1 7 7 PRO HA H 1 4.436 0.007 . 1 . . . A 7 PRO HA . 25927 1 73 . 1 1 7 7 PRO HB2 H 1 1.956 0.009 . 1 . . . A 7 PRO HB2 . 25927 1 74 . 1 1 7 7 PRO HB3 H 1 2.300 0.006 . 1 . . . A 7 PRO HB3 . 25927 1 75 . 1 1 7 7 PRO HG2 H 1 2.062 0.007 . 1 . . . A 7 PRO HG2 . 25927 1 76 . 1 1 7 7 PRO HG3 H 1 1.980 0.018 . 1 . . . A 7 PRO HG3 . 25927 1 77 . 1 1 7 7 PRO HD2 H 1 3.716 0.007 . 1 . . . A 7 PRO HD2 . 25927 1 78 . 1 1 7 7 PRO HD3 H 1 3.845 0.005 . 1 . . . A 7 PRO HD3 . 25927 1 79 . 1 1 7 7 PRO C C 13 177.461 0.005 . 1 . . . A 7 PRO C . 25927 1 80 . 1 1 7 7 PRO CA C 13 63.345 0.027 . 1 . . . A 7 PRO CA . 25927 1 81 . 1 1 7 7 PRO CB C 13 32.304 0.029 . 1 . . . A 7 PRO CB . 25927 1 82 . 1 1 7 7 PRO CG C 13 27.435 0.023 . 1 . . . A 7 PRO CG . 25927 1 83 . 1 1 7 7 PRO CD C 13 51.016 0.009 . 1 . . . A 7 PRO CD . 25927 1 84 . 1 1 8 8 GLY H H 1 8.334 0.006 . 1 . . . A 8 GLY H . 25927 1 85 . 1 1 8 8 GLY HA2 H 1 4.050 0.008 . 1 . . . A 8 GLY HA2 . 25927 1 86 . 1 1 8 8 GLY HA3 H 1 3.938 0.005 . 1 . . . A 8 GLY HA3 . 25927 1 87 . 1 1 8 8 GLY C C 13 173.995 0.013 . 1 . . . A 8 GLY C . 25927 1 88 . 1 1 8 8 GLY CA C 13 45.426 0.022 . 1 . . . A 8 GLY CA . 25927 1 89 . 1 1 8 8 GLY N N 15 108.925 0.025 . 1 . . . A 8 GLY N . 25927 1 90 . 1 1 9 9 LEU H H 1 8.150 0.005 . 1 . . . A 9 LEU H . 25927 1 91 . 1 1 9 9 LEU HA H 1 4.459 0.004 . 1 . . . A 9 LEU HA . 25927 1 92 . 1 1 9 9 LEU HB2 H 1 1.686 0.010 . 2 . . . A 9 LEU HB2 . 25927 1 93 . 1 1 9 9 LEU HB3 H 1 1.686 0.010 . 2 . . . A 9 LEU HB3 . 25927 1 94 . 1 1 9 9 LEU HD11 H 1 0.963 0.008 . 2 . . . A 9 LEU HD11 . 25927 1 95 . 1 1 9 9 LEU HD12 H 1 0.963 0.008 . 2 . . . A 9 LEU HD12 . 25927 1 96 . 1 1 9 9 LEU HD13 H 1 0.963 0.008 . 2 . . . A 9 LEU HD13 . 25927 1 97 . 1 1 9 9 LEU HD21 H 1 0.886 0.006 . 2 . . . A 9 LEU HD21 . 25927 1 98 . 1 1 9 9 LEU HD22 H 1 0.886 0.006 . 2 . . . A 9 LEU HD22 . 25927 1 99 . 1 1 9 9 LEU HD23 H 1 0.886 0.006 . 2 . . . A 9 LEU HD23 . 25927 1 100 . 1 1 9 9 LEU C C 13 176.870 0.013 . 1 . . . A 9 LEU C . 25927 1 101 . 1 1 9 9 LEU CA C 13 55.621 0.025 . 1 . . . A 9 LEU CA . 25927 1 102 . 1 1 9 9 LEU CB C 13 43.048 0.036 . 1 . . . A 9 LEU CB . 25927 1 103 . 1 1 9 9 LEU CG C 13 27.074 0.000 . 1 . . . A 9 LEU CG . 25927 1 104 . 1 1 9 9 LEU CD1 C 13 24.934 0.013 . 1 . . . A 9 LEU CD1 . 25927 1 105 . 1 1 9 9 LEU CD2 C 13 23.636 0.027 . 1 . . . A 9 LEU CD2 . 25927 1 106 . 1 1 9 9 LEU N N 15 121.559 0.048 . 1 . . . A 9 LEU N . 25927 1 107 . 1 1 10 10 LEU H H 1 8.348 0.007 . 1 . . . A 10 LEU H . 25927 1 108 . 1 1 10 10 LEU HA H 1 5.161 0.011 . 1 . . . A 10 LEU HA . 25927 1 109 . 1 1 10 10 LEU HB2 H 1 1.818 0.006 . 1 . . . A 10 LEU HB2 . 25927 1 110 . 1 1 10 10 LEU HB3 H 1 1.455 0.010 . 1 . . . A 10 LEU HB3 . 25927 1 111 . 1 1 10 10 LEU HG H 1 1.646 0.011 . 1 . . . A 10 LEU HG . 25927 1 112 . 1 1 10 10 LEU HD11 H 1 0.776 0.010 . 2 . . . A 10 LEU HD11 . 25927 1 113 . 1 1 10 10 LEU HD12 H 1 0.776 0.010 . 2 . . . A 10 LEU HD12 . 25927 1 114 . 1 1 10 10 LEU HD13 H 1 0.776 0.010 . 2 . . . A 10 LEU HD13 . 25927 1 115 . 1 1 10 10 LEU HD21 H 1 0.610 0.006 . 2 . . . A 10 LEU HD21 . 25927 1 116 . 1 1 10 10 LEU HD22 H 1 0.610 0.006 . 2 . . . A 10 LEU HD22 . 25927 1 117 . 1 1 10 10 LEU HD23 H 1 0.610 0.006 . 2 . . . A 10 LEU HD23 . 25927 1 118 . 1 1 10 10 LEU C C 13 177.427 0.006 . 1 . . . A 10 LEU C . 25927 1 119 . 1 1 10 10 LEU CA C 13 53.862 0.038 . 1 . . . A 10 LEU CA . 25927 1 120 . 1 1 10 10 LEU CB C 13 43.648 0.021 . 1 . . . A 10 LEU CB . 25927 1 121 . 1 1 10 10 LEU CG C 13 27.552 0.024 . 1 . . . A 10 LEU CG . 25927 1 122 . 1 1 10 10 LEU CD1 C 13 25.452 0.072 . 2 . . . A 10 LEU CD1 . 25927 1 123 . 1 1 10 10 LEU CD2 C 13 25.451 0.083 . 2 . . . A 10 LEU CD2 . 25927 1 124 . 1 1 10 10 LEU N N 15 122.690 0.075 . 1 . . . A 10 LEU N . 25927 1 125 . 1 1 11 11 THR H H 1 9.186 0.005 . 1 . . . A 11 THR H . 25927 1 126 . 1 1 11 11 THR HA H 1 4.295 0.013 . 1 . . . A 11 THR HA . 25927 1 127 . 1 1 11 11 THR HB H 1 4.112 0.005 . 1 . . . A 11 THR HB . 25927 1 128 . 1 1 11 11 THR HG21 H 1 0.799 0.005 . 2 . . . A 11 THR HG21 . 25927 1 129 . 1 1 11 11 THR HG22 H 1 0.799 0.005 . 2 . . . A 11 THR HG22 . 25927 1 130 . 1 1 11 11 THR HG23 H 1 0.799 0.005 . 2 . . . A 11 THR HG23 . 25927 1 131 . 1 1 11 11 THR C C 13 172.853 0.003 . 1 . . . A 11 THR C . 25927 1 132 . 1 1 11 11 THR CA C 13 63.577 0.031 . 1 . . . A 11 THR CA . 25927 1 133 . 1 1 11 11 THR CB C 13 69.325 0.040 . 1 . . . A 11 THR CB . 25927 1 134 . 1 1 11 11 THR CG2 C 13 21.377 0.000 . 1 . . . A 11 THR CG2 . 25927 1 135 . 1 1 11 11 THR N N 15 124.118 0.044 . 1 . . . A 11 THR N . 25927 1 136 . 1 1 12 12 ASP H H 1 8.880 0.006 . 1 . . . A 12 ASP H . 25927 1 137 . 1 1 12 12 ASP HA H 1 4.297 0.007 . 1 . . . A 12 ASP HA . 25927 1 138 . 1 1 12 12 ASP HB2 H 1 0.796 0.006 . 1 . . . A 12 ASP HB2 . 25927 1 139 . 1 1 12 12 ASP HB3 H 1 2.495 0.006 . 1 . . . A 12 ASP HB3 . 25927 1 140 . 1 1 12 12 ASP C C 13 176.060 0.006 . 1 . . . A 12 ASP C . 25927 1 141 . 1 1 12 12 ASP CA C 13 53.779 0.082 . 1 . . . A 12 ASP CA . 25927 1 142 . 1 1 12 12 ASP CB C 13 39.044 0.048 . 1 . . . A 12 ASP CB . 25927 1 143 . 1 1 12 12 ASP N N 15 127.226 0.035 . 1 . . . A 12 ASP N . 25927 1 144 . 1 1 13 13 HIS H H 1 8.867 0.006 . 1 . . . A 13 HIS H . 25927 1 145 . 1 1 13 13 HIS HA H 1 5.308 0.013 . 1 . . . A 13 HIS HA . 25927 1 146 . 1 1 13 13 HIS HB2 H 1 2.901 0.006 . 1 . . . A 13 HIS HB2 . 25927 1 147 . 1 1 13 13 HIS HB3 H 1 3.733 0.003 . 1 . . . A 13 HIS HB3 . 25927 1 148 . 1 1 13 13 HIS HD2 H 1 7.191 0.003 . 1 . . . A 13 HIS HD2 . 25927 1 149 . 1 1 13 13 HIS C C 13 175.365 0.003 . 1 . . . A 13 HIS C . 25927 1 150 . 1 1 13 13 HIS CA C 13 53.158 0.077 . 1 . . . A 13 HIS CA . 25927 1 151 . 1 1 13 13 HIS CB C 13 28.954 0.037 . 1 . . . A 13 HIS CB . 25927 1 152 . 1 1 13 13 HIS CD2 C 13 118.077 0.045 . 1 . . . A 13 HIS CD2 . 25927 1 153 . 1 1 13 13 HIS N N 15 127.146 0.052 . 1 . . . A 13 HIS N . 25927 1 154 . 1 1 14 14 THR H H 1 8.583 0.003 . 1 . . . A 14 THR H . 25927 1 155 . 1 1 14 14 THR HA H 1 4.522 0.000 . 1 . . . A 14 THR HA . 25927 1 156 . 1 1 14 14 THR HB H 1 4.315 0.008 . 1 . . . A 14 THR HB . 25927 1 157 . 1 1 14 14 THR HG21 H 1 1.203 0.000 . 2 . . . A 14 THR HG21 . 25927 1 158 . 1 1 14 14 THR HG22 H 1 1.203 0.000 . 2 . . . A 14 THR HG22 . 25927 1 159 . 1 1 14 14 THR HG23 H 1 1.203 0.000 . 2 . . . A 14 THR HG23 . 25927 1 160 . 1 1 14 14 THR C C 13 174.626 0.014 . 1 . . . A 14 THR C . 25927 1 161 . 1 1 14 14 THR CA C 13 63.245 0.088 . 1 . . . A 14 THR CA . 25927 1 162 . 1 1 14 14 THR CB C 13 70.178 0.160 . 1 . . . A 14 THR CB . 25927 1 163 . 1 1 14 14 THR CG2 C 13 21.582 0.000 . 1 . . . A 14 THR CG2 . 25927 1 164 . 1 1 14 14 THR N N 15 112.885 0.031 . 1 . . . A 14 THR N . 25927 1 165 . 1 1 15 15 VAL H H 1 9.104 0.006 . 1 . . . A 15 VAL H . 25927 1 166 . 1 1 15 15 VAL HA H 1 4.645 0.000 . 1 . . . A 15 VAL HA . 25927 1 167 . 1 1 15 15 VAL HB H 1 2.056 0.003 . 1 . . . A 15 VAL HB . 25927 1 168 . 1 1 15 15 VAL HG11 H 1 0.885 0.001 . 2 . . . A 15 VAL HG11 . 25927 1 169 . 1 1 15 15 VAL HG12 H 1 0.885 0.001 . 2 . . . A 15 VAL HG12 . 25927 1 170 . 1 1 15 15 VAL HG13 H 1 0.885 0.001 . 2 . . . A 15 VAL HG13 . 25927 1 171 . 1 1 15 15 VAL HG21 H 1 0.738 0.006 . 2 . . . A 15 VAL HG21 . 25927 1 172 . 1 1 15 15 VAL HG22 H 1 0.738 0.006 . 2 . . . A 15 VAL HG22 . 25927 1 173 . 1 1 15 15 VAL HG23 H 1 0.738 0.006 . 2 . . . A 15 VAL HG23 . 25927 1 174 . 1 1 15 15 VAL C C 13 175.216 0.009 . 1 . . . A 15 VAL C . 25927 1 175 . 1 1 15 15 VAL CA C 13 62.263 0.057 . 1 . . . A 15 VAL CA . 25927 1 176 . 1 1 15 15 VAL CB C 13 35.380 0.025 . 1 . . . A 15 VAL CB . 25927 1 177 . 1 1 15 15 VAL CG1 C 13 21.433 0.022 . 1 . . . A 15 VAL CG1 . 25927 1 178 . 1 1 15 15 VAL CG2 C 13 19.156 0.002 . 1 . . . A 15 VAL CG2 . 25927 1 179 . 1 1 15 15 VAL N N 15 113.207 0.056 . 1 . . . A 15 VAL N . 25927 1 180 . 1 1 16 16 SER H H 1 9.340 0.003 . 1 . . . A 16 SER H . 25927 1 181 . 1 1 16 16 SER HA H 1 4.196 0.014 . 1 . . . A 16 SER HA . 25927 1 182 . 1 1 16 16 SER HB2 H 1 3.691 0.004 . 2 . . . A 16 SER HB2 . 25927 1 183 . 1 1 16 16 SER HB3 H 1 3.691 0.004 . 2 . . . A 16 SER HB3 . 25927 1 184 . 1 1 16 16 SER C C 13 174.515 0.006 . 1 . . . A 16 SER C . 25927 1 185 . 1 1 16 16 SER CA C 13 57.126 0.021 . 1 . . . A 16 SER CA . 25927 1 186 . 1 1 16 16 SER CB C 13 67.073 0.020 . 1 . . . A 16 SER CB . 25927 1 187 . 1 1 16 16 SER N N 15 122.970 0.040 . 1 . . . A 16 SER N . 25927 1 188 . 1 1 17 17 SER H H 1 8.926 0.004 . 1 . . . A 17 SER H . 25927 1 189 . 1 1 17 17 SER HA H 1 4.157 0.004 . 1 . . . A 17 SER HA . 25927 1 190 . 1 1 17 17 SER HB2 H 1 3.970 0.005 . 2 . . . A 17 SER HB2 . 25927 1 191 . 1 1 17 17 SER HB3 H 1 3.970 0.005 . 2 . . . A 17 SER HB3 . 25927 1 192 . 1 1 17 17 SER C C 13 176.576 0.014 . 1 . . . A 17 SER C . 25927 1 193 . 1 1 17 17 SER CA C 13 62.451 0.116 . 1 . . . A 17 SER CA . 25927 1 194 . 1 1 17 17 SER CB C 13 62.539 0.067 . 1 . . . A 17 SER CB . 25927 1 195 . 1 1 17 17 SER N N 15 116.643 0.052 . 1 . . . A 17 SER N . 25927 1 196 . 1 1 18 18 ILE H H 1 7.848 0.005 . 1 . . . A 18 ILE H . 25927 1 197 . 1 1 18 18 ILE HA H 1 4.071 0.009 . 1 . . . A 18 ILE HA . 25927 1 198 . 1 1 18 18 ILE HB H 1 1.744 0.006 . 1 . . . A 18 ILE HB . 25927 1 199 . 1 1 18 18 ILE HG12 H 1 1.551 0.007 . 1 . . . A 18 ILE HG12 . 25927 1 200 . 1 1 18 18 ILE HG13 H 1 1.201 0.005 . 1 . . . A 18 ILE HG13 . 25927 1 201 . 1 1 18 18 ILE HG21 H 1 0.898 0.006 . 2 . . . A 18 ILE HG21 . 25927 1 202 . 1 1 18 18 ILE HG22 H 1 0.898 0.006 . 2 . . . A 18 ILE HG22 . 25927 1 203 . 1 1 18 18 ILE HG23 H 1 0.898 0.006 . 2 . . . A 18 ILE HG23 . 25927 1 204 . 1 1 18 18 ILE HD11 H 1 0.846 0.012 . 2 . . . A 18 ILE HD11 . 25927 1 205 . 1 1 18 18 ILE HD12 H 1 0.846 0.012 . 2 . . . A 18 ILE HD12 . 25927 1 206 . 1 1 18 18 ILE HD13 H 1 0.846 0.012 . 2 . . . A 18 ILE HD13 . 25927 1 207 . 1 1 18 18 ILE C C 13 177.925 0.003 . 1 . . . A 18 ILE C . 25927 1 208 . 1 1 18 18 ILE CA C 13 64.381 0.038 . 1 . . . A 18 ILE CA . 25927 1 209 . 1 1 18 18 ILE CB C 13 37.580 0.034 . 1 . . . A 18 ILE CB . 25927 1 210 . 1 1 18 18 ILE CG1 C 13 29.012 0.050 . 1 . . . A 18 ILE CG1 . 25927 1 211 . 1 1 18 18 ILE CG2 C 13 17.877 0.021 . 1 . . . A 18 ILE CG2 . 25927 1 212 . 1 1 18 18 ILE CD1 C 13 13.942 0.050 . 1 . . . A 18 ILE CD1 . 25927 1 213 . 1 1 18 18 ILE N N 15 120.198 0.054 . 1 . . . A 18 ILE N . 25927 1 214 . 1 1 19 19 GLY H H 1 7.921 0.011 . 1 . . . A 19 GLY H . 25927 1 215 . 1 1 19 19 GLY HA2 H 1 4.157 0.007 . 1 . . . A 19 GLY HA2 . 25927 1 216 . 1 1 19 19 GLY HA3 H 1 3.485 0.008 . 1 . . . A 19 GLY HA3 . 25927 1 217 . 1 1 19 19 GLY C C 13 176.153 0.005 . 1 . . . A 19 GLY C . 25927 1 218 . 1 1 19 19 GLY CA C 13 46.840 0.047 . 1 . . . A 19 GLY CA . 25927 1 219 . 1 1 19 19 GLY N N 15 111.905 0.053 . 1 . . . A 19 GLY N . 25927 1 220 . 1 1 20 20 HIS H H 1 8.842 0.003 . 1 . . . A 20 HIS H . 25927 1 221 . 1 1 20 20 HIS HA H 1 4.762 0.011 . 1 . . . A 20 HIS HA . 25927 1 222 . 1 1 20 20 HIS HB2 H 1 3.325 0.003 . 1 . . . A 20 HIS HB2 . 25927 1 223 . 1 1 20 20 HIS HB3 H 1 3.504 0.005 . 1 . . . A 20 HIS HB3 . 25927 1 224 . 1 1 20 20 HIS HD2 H 1 7.184 0.002 . 1 . . . A 20 HIS HD2 . 25927 1 225 . 1 1 20 20 HIS C C 13 178.606 0.005 . 1 . . . A 20 HIS C . 25927 1 226 . 1 1 20 20 HIS CA C 13 57.858 0.066 . 1 . . . A 20 HIS CA . 25927 1 227 . 1 1 20 20 HIS CB C 13 27.715 0.019 . 1 . . . A 20 HIS CB . 25927 1 228 . 1 1 20 20 HIS N N 15 120.808 0.039 . 1 . . . A 20 HIS N . 25927 1 229 . 1 1 21 21 ASP H H 1 8.592 0.005 . 1 . . . A 21 ASP H . 25927 1 230 . 1 1 21 21 ASP HA H 1 4.534 0.004 . 1 . . . A 21 ASP HA . 25927 1 231 . 1 1 21 21 ASP HB2 H 1 3.045 0.008 . 1 . . . A 21 ASP HB2 . 25927 1 232 . 1 1 21 21 ASP HB3 H 1 2.531 0.004 . 1 . . . A 21 ASP HB3 . 25927 1 233 . 1 1 21 21 ASP C C 13 179.630 0.003 . 1 . . . A 21 ASP C . 25927 1 234 . 1 1 21 21 ASP CA C 13 57.505 0.149 . 1 . . . A 21 ASP CA . 25927 1 235 . 1 1 21 21 ASP CB C 13 39.765 0.040 . 1 . . . A 21 ASP CB . 25927 1 236 . 1 1 21 21 ASP N N 15 121.572 0.026 . 1 . . . A 21 ASP N . 25927 1 237 . 1 1 22 22 PHE H H 1 8.790 0.007 . 1 . . . A 22 PHE H . 25927 1 238 . 1 1 22 22 PHE HA H 1 4.095 0.011 . 1 . . . A 22 PHE HA . 25927 1 239 . 1 1 22 22 PHE HB2 H 1 3.148 0.009 . 1 . . . A 22 PHE HB2 . 25927 1 240 . 1 1 22 22 PHE HB3 H 1 3.642 0.007 . 1 . . . A 22 PHE HB3 . 25927 1 241 . 1 1 22 22 PHE HD1 H 1 6.838 0.006 . 3 . . . A 22 PHE HD1 . 25927 1 242 . 1 1 22 22 PHE HD2 H 1 6.838 0.006 . 3 . . . A 22 PHE HD2 . 25927 1 243 . 1 1 22 22 PHE HE1 H 1 6.759 0.006 . 3 . . . A 22 PHE HE1 . 25927 1 244 . 1 1 22 22 PHE HE2 H 1 6.759 0.006 . 3 . . . A 22 PHE HE2 . 25927 1 245 . 1 1 22 22 PHE HZ H 1 6.803 0.015 . 1 . . . A 22 PHE HZ . 25927 1 246 . 1 1 22 22 PHE C C 13 175.647 0.002 . 1 . . . A 22 PHE C . 25927 1 247 . 1 1 22 22 PHE CA C 13 62.928 0.025 . 1 . . . A 22 PHE CA . 25927 1 248 . 1 1 22 22 PHE CB C 13 39.147 0.072 . 1 . . . A 22 PHE CB . 25927 1 249 . 1 1 22 22 PHE CD1 C 13 132.077 0.029 . 3 . . . A 22 PHE CD1 . 25927 1 250 . 1 1 22 22 PHE CD2 C 13 132.069 0.034 . 3 . . . A 22 PHE CD2 . 25927 1 251 . 1 1 22 22 PHE CE1 C 13 130.264 0.069 . 3 . . . A 22 PHE CE1 . 25927 1 252 . 1 1 22 22 PHE CE2 C 13 130.263 0.068 . 3 . . . A 22 PHE CE2 . 25927 1 253 . 1 1 22 22 PHE CZ C 13 128.576 0.094 . 1 . . . A 22 PHE CZ . 25927 1 254 . 1 1 22 22 PHE N N 15 123.889 0.026 . 1 . . . A 22 PHE N . 25927 1 255 . 1 1 23 23 TYR H H 1 9.008 0.008 . 1 . . . A 23 TYR H . 25927 1 256 . 1 1 23 23 TYR HA H 1 3.781 0.006 . 1 . . . A 23 TYR HA . 25927 1 257 . 1 1 23 23 TYR HB2 H 1 3.055 0.006 . 1 . . . A 23 TYR HB2 . 25927 1 258 . 1 1 23 23 TYR HB3 H 1 3.346 0.007 . 1 . . . A 23 TYR HB3 . 25927 1 259 . 1 1 23 23 TYR HD1 H 1 6.908 0.009 . 3 . . . A 23 TYR HD1 . 25927 1 260 . 1 1 23 23 TYR HD2 H 1 6.908 0.009 . 3 . . . A 23 TYR HD2 . 25927 1 261 . 1 1 23 23 TYR HE1 H 1 6.567 0.007 . 3 . . . A 23 TYR HE1 . 25927 1 262 . 1 1 23 23 TYR HE2 H 1 6.567 0.007 . 3 . . . A 23 TYR HE2 . 25927 1 263 . 1 1 23 23 TYR C C 13 177.585 0.011 . 1 . . . A 23 TYR C . 25927 1 264 . 1 1 23 23 TYR CA C 13 62.973 0.029 . 1 . . . A 23 TYR CA . 25927 1 265 . 1 1 23 23 TYR CB C 13 38.379 0.048 . 1 . . . A 23 TYR CB . 25927 1 266 . 1 1 23 23 TYR CD1 C 13 132.959 0.109 . 3 . . . A 23 TYR CD1 . 25927 1 267 . 1 1 23 23 TYR CD2 C 13 132.951 0.094 . 3 . . . A 23 TYR CD2 . 25927 1 268 . 1 1 23 23 TYR CE1 C 13 118.047 0.037 . 3 . . . A 23 TYR CE1 . 25927 1 269 . 1 1 23 23 TYR CE2 C 13 118.044 0.029 . 3 . . . A 23 TYR CE2 . 25927 1 270 . 1 1 23 23 TYR N N 15 119.855 0.049 . 1 . . . A 23 TYR N . 25927 1 271 . 1 1 24 24 ARG H H 1 8.576 0.006 . 1 . . . A 24 ARG H . 25927 1 272 . 1 1 24 24 ARG HA H 1 3.718 0.006 . 1 . . . A 24 ARG HA . 25927 1 273 . 1 1 24 24 ARG HB2 H 1 2.020 0.012 . 2 . . . A 24 ARG HB2 . 25927 1 274 . 1 1 24 24 ARG HB3 H 1 2.020 0.012 . 2 . . . A 24 ARG HB3 . 25927 1 275 . 1 1 24 24 ARG HG2 H 1 1.809 0.001 . 1 . . . A 24 ARG HG2 . 25927 1 276 . 1 1 24 24 ARG HG3 H 1 1.713 0.003 . 1 . . . A 24 ARG HG3 . 25927 1 277 . 1 1 24 24 ARG HD2 H 1 3.284 0.012 . 2 . . . A 24 ARG HD2 . 25927 1 278 . 1 1 24 24 ARG HD3 H 1 3.284 0.012 . 2 . . . A 24 ARG HD3 . 25927 1 279 . 1 1 24 24 ARG C C 13 177.149 0.010 . 1 . . . A 24 ARG C . 25927 1 280 . 1 1 24 24 ARG CA C 13 59.360 0.025 . 1 . . . A 24 ARG CA . 25927 1 281 . 1 1 24 24 ARG CB C 13 30.434 0.043 . 1 . . . A 24 ARG CB . 25927 1 282 . 1 1 24 24 ARG CG C 13 27.055 0.007 . 1 . . . A 24 ARG CG . 25927 1 283 . 1 1 24 24 ARG CD C 13 43.286 0.074 . 1 . . . A 24 ARG CD . 25927 1 284 . 1 1 24 24 ARG N N 15 120.673 0.044 . 1 . . . A 24 ARG N . 25927 1 285 . 1 1 25 25 ALA H H 1 8.080 0.003 . 1 . . . A 25 ALA H . 25927 1 286 . 1 1 25 25 ALA HA H 1 4.111 0.001 . 1 . . . A 25 ALA HA . 25927 1 287 . 1 1 25 25 ALA HB1 H 1 1.527 0.000 . 2 . . . A 25 ALA HB1 . 25927 1 288 . 1 1 25 25 ALA HB2 H 1 1.527 0.000 . 2 . . . A 25 ALA HB2 . 25927 1 289 . 1 1 25 25 ALA HB3 H 1 1.527 0.000 . 2 . . . A 25 ALA HB3 . 25927 1 290 . 1 1 25 25 ALA C C 13 179.502 0.003 . 1 . . . A 25 ALA C . 25927 1 291 . 1 1 25 25 ALA CA C 13 54.810 0.030 . 1 . . . A 25 ALA CA . 25927 1 292 . 1 1 25 25 ALA CB C 13 19.390 0.059 . 1 . . . A 25 ALA CB . 25927 1 293 . 1 1 25 25 ALA N N 15 120.718 0.039 . 1 . . . A 25 ALA N . 25927 1 294 . 1 1 26 26 PHE H H 1 8.467 0.005 . 1 . . . A 26 PHE H . 25927 1 295 . 1 1 26 26 PHE HA H 1 3.498 0.007 . 1 . . . A 26 PHE HA . 25927 1 296 . 1 1 26 26 PHE HB2 H 1 2.002 0.005 . 1 . . . A 26 PHE HB2 . 25927 1 297 . 1 1 26 26 PHE HB3 H 1 2.634 0.007 . 1 . . . A 26 PHE HB3 . 25927 1 298 . 1 1 26 26 PHE HD1 H 1 6.482 0.010 . 3 . . . A 26 PHE HD1 . 25927 1 299 . 1 1 26 26 PHE HD2 H 1 6.482 0.010 . 3 . . . A 26 PHE HD2 . 25927 1 300 . 1 1 26 26 PHE HE1 H 1 6.471 0.004 . 3 . . . A 26 PHE HE1 . 25927 1 301 . 1 1 26 26 PHE HE2 H 1 6.471 0.004 . 3 . . . A 26 PHE HE2 . 25927 1 302 . 1 1 26 26 PHE HZ H 1 6.320 0.005 . 1 . . . A 26 PHE HZ . 25927 1 303 . 1 1 26 26 PHE C C 13 177.120 0.011 . 1 . . . A 26 PHE C . 25927 1 304 . 1 1 26 26 PHE CA C 13 61.297 0.082 . 1 . . . A 26 PHE CA . 25927 1 305 . 1 1 26 26 PHE CB C 13 39.907 0.045 . 1 . . . A 26 PHE CB . 25927 1 306 . 1 1 26 26 PHE CD1 C 13 130.802 0.163 . 3 . . . A 26 PHE CD1 . 25927 1 307 . 1 1 26 26 PHE CD2 C 13 130.812 0.149 . 3 . . . A 26 PHE CD2 . 25927 1 308 . 1 1 26 26 PHE CE1 C 13 130.753 0.033 . 3 . . . A 26 PHE CE1 . 25927 1 309 . 1 1 26 26 PHE CE2 C 13 130.753 0.033 . 3 . . . A 26 PHE CE2 . 25927 1 310 . 1 1 26 26 PHE CZ C 13 130.344 0.002 . 1 . . . A 26 PHE CZ . 25927 1 311 . 1 1 26 26 PHE N N 15 118.193 0.033 . 1 . . . A 26 PHE N . 25927 1 312 . 1 1 27 27 SER H H 1 8.477 0.005 . 1 . . . A 27 SER H . 25927 1 313 . 1 1 27 27 SER HA H 1 3.845 0.003 . 1 . . . A 27 SER HA . 25927 1 314 . 1 1 27 27 SER HB2 H 1 3.635 0.007 . 1 . . . A 27 SER HB2 . 25927 1 315 . 1 1 27 27 SER HB3 H 1 3.538 0.003 . 1 . . . A 27 SER HB3 . 25927 1 316 . 1 1 27 27 SER C C 13 176.828 0.002 . 1 . . . A 27 SER C . 25927 1 317 . 1 1 27 27 SER CA C 13 61.656 0.029 . 1 . . . A 27 SER CA . 25927 1 318 . 1 1 27 27 SER CB C 13 62.952 0.048 . 1 . . . A 27 SER CB . 25927 1 319 . 1 1 27 27 SER N N 15 112.572 0.030 . 1 . . . A 27 SER N . 25927 1 320 . 1 1 28 28 ASP H H 1 8.019 0.005 . 1 . . . A 28 ASP H . 25927 1 321 . 1 1 28 28 ASP HA H 1 4.424 0.004 . 1 . . . A 28 ASP HA . 25927 1 322 . 1 1 28 28 ASP HB2 H 1 2.809 0.005 . 1 . . . A 28 ASP HB2 . 25927 1 323 . 1 1 28 28 ASP HB3 H 1 2.585 0.004 . 1 . . . A 28 ASP HB3 . 25927 1 324 . 1 1 28 28 ASP C C 13 177.325 0.012 . 1 . . . A 28 ASP C . 25927 1 325 . 1 1 28 28 ASP CA C 13 56.657 0.160 . 1 . . . A 28 ASP CA . 25927 1 326 . 1 1 28 28 ASP CB C 13 41.274 0.089 . 1 . . . A 28 ASP CB . 25927 1 327 . 1 1 28 28 ASP N N 15 119.022 0.060 . 1 . . . A 28 ASP N . 25927 1 328 . 1 1 29 29 LYS H H 1 6.910 0.006 . 1 . . . A 29 LYS H . 25927 1 329 . 1 1 29 29 LYS HA H 1 4.359 0.003 . 1 . . . A 29 LYS HA . 25927 1 330 . 1 1 29 29 LYS HB2 H 1 1.849 0.004 . 1 . . . A 29 LYS HB2 . 25927 1 331 . 1 1 29 29 LYS HB3 H 1 1.499 0.006 . 1 . . . A 29 LYS HB3 . 25927 1 332 . 1 1 29 29 LYS HG2 H 1 1.345 0.008 . 2 . . . A 29 LYS HG2 . 25927 1 333 . 1 1 29 29 LYS HG3 H 1 1.345 0.008 . 2 . . . A 29 LYS HG3 . 25927 1 334 . 1 1 29 29 LYS HD2 H 1 1.416 0.000 . 2 . . . A 29 LYS HD2 . 25927 1 335 . 1 1 29 29 LYS HD3 H 1 1.416 0.000 . 2 . . . A 29 LYS HD3 . 25927 1 336 . 1 1 29 29 LYS HE2 H 1 2.930 0.005 . 2 . . . A 29 LYS HE2 . 25927 1 337 . 1 1 29 29 LYS HE3 H 1 2.930 0.005 . 2 . . . A 29 LYS HE3 . 25927 1 338 . 1 1 29 29 LYS C C 13 175.910 0.003 . 1 . . . A 29 LYS C . 25927 1 339 . 1 1 29 29 LYS CA C 13 55.164 0.072 . 1 . . . A 29 LYS CA . 25927 1 340 . 1 1 29 29 LYS CB C 13 35.310 0.064 . 1 . . . A 29 LYS CB . 25927 1 341 . 1 1 29 29 LYS CG C 13 25.317 0.017 . 1 . . . A 29 LYS CG . 25927 1 342 . 1 1 29 29 LYS CD C 13 24.969 0.000 . 1 . . . A 29 LYS CD . 25927 1 343 . 1 1 29 29 LYS N N 15 115.330 0.047 . 1 . . . A 29 LYS N . 25927 1 344 . 1 1 30 30 TRP H H 1 7.638 0.005 . 1 . . . A 30 TRP H . 25927 1 345 . 1 1 30 30 TRP HA H 1 4.177 0.005 . 1 . . . A 30 TRP HA . 25927 1 346 . 1 1 30 30 TRP HB2 H 1 2.956 0.003 . 1 . . . A 30 TRP HB2 . 25927 1 347 . 1 1 30 30 TRP HB3 H 1 2.673 0.003 . 1 . . . A 30 TRP HB3 . 25927 1 348 . 1 1 30 30 TRP HD1 H 1 7.112 0.004 . 1 . . . A 30 TRP HD1 . 25927 1 349 . 1 1 30 30 TRP HE1 H 1 10.421 0.003 . 1 . . . A 30 TRP HE1 . 25927 1 350 . 1 1 30 30 TRP HE3 H 1 7.174 0.000 . 1 . . . A 30 TRP HE3 . 25927 1 351 . 1 1 30 30 TRP HZ2 H 1 7.222 0.008 . 1 . . . A 30 TRP HZ2 . 25927 1 352 . 1 1 30 30 TRP HZ3 H 1 7.120 0.008 . 1 . . . A 30 TRP HZ3 . 25927 1 353 . 1 1 30 30 TRP HH2 H 1 6.796 0.013 . 1 . . . A 30 TRP HH2 . 25927 1 354 . 1 1 30 30 TRP C C 13 175.188 0.026 . 1 . . . A 30 TRP C . 25927 1 355 . 1 1 30 30 TRP CA C 13 58.041 0.053 . 1 . . . A 30 TRP CA . 25927 1 356 . 1 1 30 30 TRP CB C 13 29.920 0.054 . 1 . . . A 30 TRP CB . 25927 1 357 . 1 1 30 30 TRP CD1 C 13 127.414 0.064 . 1 . . . A 30 TRP CD1 . 25927 1 358 . 1 1 30 30 TRP CE3 C 13 119.700 0.000 . 1 . . . A 30 TRP CE3 . 25927 1 359 . 1 1 30 30 TRP CZ2 C 13 114.840 0.079 . 1 . . . A 30 TRP CZ2 . 25927 1 360 . 1 1 30 30 TRP CZ3 C 13 121.728 0.017 . 1 . . . A 30 TRP CZ3 . 25927 1 361 . 1 1 30 30 TRP CH2 C 13 123.636 0.006 . 1 . . . A 30 TRP CH2 . 25927 1 362 . 1 1 30 30 TRP N N 15 122.847 0.035 . 1 . . . A 30 TRP N . 25927 1 363 . 1 1 30 30 TRP NE1 N 15 129.283 0.058 . 1 . . . A 30 TRP NE1 . 25927 1 364 . 1 1 31 31 GLU H H 1 7.426 0.014 . 1 . . . A 31 GLU H . 25927 1 365 . 1 1 31 31 GLU HA H 1 4.159 0.013 . 1 . . . A 31 GLU HA . 25927 1 366 . 1 1 31 31 GLU HB2 H 1 1.713 0.008 . 1 . . . A 31 GLU HB2 . 25927 1 367 . 1 1 31 31 GLU HB3 H 1 1.588 0.010 . 1 . . . A 31 GLU HB3 . 25927 1 368 . 1 1 31 31 GLU HG2 H 1 1.979 0.013 . 2 . . . A 31 GLU HG2 . 25927 1 369 . 1 1 31 31 GLU HG3 H 1 1.979 0.013 . 2 . . . A 31 GLU HG3 . 25927 1 370 . 1 1 31 31 GLU C C 13 173.960 0.001 . 1 . . . A 31 GLU C . 25927 1 371 . 1 1 31 31 GLU CA C 13 55.114 0.042 . 1 . . . A 31 GLU CA . 25927 1 372 . 1 1 31 31 GLU CB C 13 31.083 0.035 . 1 . . . A 31 GLU CB . 25927 1 373 . 1 1 31 31 GLU CG C 13 35.326 0.023 . 1 . . . A 31 GLU CG . 25927 1 374 . 1 1 31 31 GLU N N 15 128.182 0.028 . 1 . . . A 31 GLU N . 25927 1 375 . 1 1 32 32 SER H H 1 7.276 0.007 . 1 . . . A 32 SER H . 25927 1 376 . 1 1 32 32 SER HA H 1 4.100 0.000 . 1 . . . A 32 SER HA . 25927 1 377 . 1 1 32 32 SER HB2 H 1 3.051 0.016 . 1 . . . A 32 SER HB2 . 25927 1 378 . 1 1 32 32 SER HB3 H 1 2.950 0.007 . 1 . . . A 32 SER HB3 . 25927 1 379 . 1 1 32 32 SER C C 13 173.864 0.039 . 1 . . . A 32 SER C . 25927 1 380 . 1 1 32 32 SER CA C 13 57.344 0.042 . 1 . . . A 32 SER CA . 25927 1 381 . 1 1 32 32 SER CB C 13 64.220 0.033 . 1 . . . A 32 SER CB . 25927 1 382 . 1 1 32 32 SER N N 15 115.672 0.047 . 1 . . . A 32 SER N . 25927 1 383 . 1 1 33 33 ASP H H 1 8.429 0.007 . 1 . . . A 33 ASP H . 25927 1 384 . 1 1 33 33 ASP HA H 1 4.623 0.007 . 1 . . . A 33 ASP HA . 25927 1 385 . 1 1 33 33 ASP HB2 H 1 2.696 0.003 . 2 . . . A 33 ASP HB2 . 25927 1 386 . 1 1 33 33 ASP HB3 H 1 2.639 0.005 . 2 . . . A 33 ASP HB3 . 25927 1 387 . 1 1 33 33 ASP C C 13 176.175 0.033 . 1 . . . A 33 ASP C . 25927 1 388 . 1 1 33 33 ASP CA C 13 54.129 0.130 . 1 . . . A 33 ASP CA . 25927 1 389 . 1 1 33 33 ASP CB C 13 40.610 0.040 . 1 . . . A 33 ASP CB . 25927 1 390 . 1 1 33 33 ASP N N 15 123.759 0.033 . 1 . . . A 33 ASP N . 25927 1 391 . 1 1 34 34 TYR H H 1 8.649 0.006 . 1 . . . A 34 TYR H . 25927 1 392 . 1 1 34 34 TYR HA H 1 4.574 0.007 . 1 . . . A 34 TYR HA . 25927 1 393 . 1 1 34 34 TYR HB2 H 1 3.074 0.015 . 1 . . . A 34 TYR HB2 . 25927 1 394 . 1 1 34 34 TYR HB3 H 1 3.174 0.013 . 1 . . . A 34 TYR HB3 . 25927 1 395 . 1 1 34 34 TYR HD1 H 1 7.214 0.004 . 3 . . . A 34 TYR HD1 . 25927 1 396 . 1 1 34 34 TYR HD2 H 1 7.214 0.004 . 3 . . . A 34 TYR HD2 . 25927 1 397 . 1 1 34 34 TYR HE1 H 1 6.721 0.004 . 3 . . . A 34 TYR HE1 . 25927 1 398 . 1 1 34 34 TYR HE2 H 1 6.721 0.004 . 3 . . . A 34 TYR HE2 . 25927 1 399 . 1 1 34 34 TYR C C 13 177.025 0.031 . 1 . . . A 34 TYR C . 25927 1 400 . 1 1 34 34 TYR CA C 13 58.817 0.046 . 1 . . . A 34 TYR CA . 25927 1 401 . 1 1 34 34 TYR CB C 13 39.134 0.076 . 1 . . . A 34 TYR CB . 25927 1 402 . 1 1 34 34 TYR CD1 C 13 133.825 0.043 . 3 . . . A 34 TYR CD1 . 25927 1 403 . 1 1 34 34 TYR CD2 C 13 133.824 0.060 . 3 . . . A 34 TYR CD2 . 25927 1 404 . 1 1 34 34 TYR CE1 C 13 118.402 0.020 . 3 . . . A 34 TYR CE1 . 25927 1 405 . 1 1 34 34 TYR CE2 C 13 118.399 0.021 . 3 . . . A 34 TYR CE2 . 25927 1 406 . 1 1 34 34 TYR N N 15 122.283 0.045 . 1 . . . A 34 TYR N . 25927 1 407 . 1 1 35 35 THR H H 1 8.067 0.008 . 1 . . . A 35 THR H . 25927 1 408 . 1 1 35 35 THR HA H 1 4.311 0.005 . 1 . . . A 35 THR HA . 25927 1 409 . 1 1 35 35 THR HB H 1 4.362 0.005 . 1 . . . A 35 THR HB . 25927 1 410 . 1 1 35 35 THR HG21 H 1 1.159 0.007 . 2 . . . A 35 THR HG21 . 25927 1 411 . 1 1 35 35 THR HG22 H 1 1.159 0.007 . 2 . . . A 35 THR HG22 . 25927 1 412 . 1 1 35 35 THR HG23 H 1 1.159 0.007 . 2 . . . A 35 THR HG23 . 25927 1 413 . 1 1 35 35 THR C C 13 174.704 0.009 . 1 . . . A 35 THR C . 25927 1 414 . 1 1 35 35 THR CA C 13 61.364 0.061 . 1 . . . A 35 THR CA . 25927 1 415 . 1 1 35 35 THR CB C 13 69.454 0.024 . 1 . . . A 35 THR CB . 25927 1 416 . 1 1 35 35 THR CG2 C 13 21.611 0.000 . 1 . . . A 35 THR CG2 . 25927 1 417 . 1 1 35 35 THR N N 15 116.852 0.044 . 1 . . . A 35 THR N . 25927 1 418 . 1 1 36 36 GLY H H 1 5.732 0.010 . 1 . . . A 36 GLY H . 25927 1 419 . 1 1 36 36 GLY HA2 H 1 3.525 0.007 . 1 . . . A 36 GLY HA2 . 25927 1 420 . 1 1 36 36 GLY HA3 H 1 4.099 0.007 . 1 . . . A 36 GLY HA3 . 25927 1 421 . 1 1 36 36 GLY C C 13 171.455 0.006 . 1 . . . A 36 GLY C . 25927 1 422 . 1 1 36 36 GLY CA C 13 44.518 0.025 . 1 . . . A 36 GLY CA . 25927 1 423 . 1 1 36 36 GLY N N 15 107.698 0.039 . 1 . . . A 36 GLY N . 25927 1 424 . 1 1 37 37 ASN H H 1 8.346 0.006 . 1 . . . A 37 ASN H . 25927 1 425 . 1 1 37 37 ASN HA H 1 4.985 0.006 . 1 . . . A 37 ASN HA . 25927 1 426 . 1 1 37 37 ASN HB2 H 1 2.776 0.009 . 1 . . . A 37 ASN HB2 . 25927 1 427 . 1 1 37 37 ASN HB3 H 1 2.642 0.003 . 1 . . . A 37 ASN HB3 . 25927 1 428 . 1 1 37 37 ASN HD21 H 1 7.514 0.003 . 1 . . . A 37 ASN HD21 . 25927 1 429 . 1 1 37 37 ASN HD22 H 1 6.763 0.004 . 1 . . . A 37 ASN HD22 . 25927 1 430 . 1 1 37 37 ASN C C 13 175.393 0.011 . 1 . . . A 37 ASN C . 25927 1 431 . 1 1 37 37 ASN CA C 13 53.833 0.132 . 1 . . . A 37 ASN CA . 25927 1 432 . 1 1 37 37 ASN CB C 13 40.513 0.046 . 1 . . . A 37 ASN CB . 25927 1 433 . 1 1 37 37 ASN N N 15 117.424 0.049 . 1 . . . A 37 ASN N . 25927 1 434 . 1 1 37 37 ASN ND2 N 15 112.170 0.060 . 1 . . . A 37 ASN ND2 . 25927 1 435 . 1 1 38 38 LEU H H 1 8.469 0.004 . 1 . . . A 38 LEU H . 25927 1 436 . 1 1 38 38 LEU HA H 1 4.998 0.007 . 1 . . . A 38 LEU HA . 25927 1 437 . 1 1 38 38 LEU HB2 H 1 1.613 0.005 . 1 . . . A 38 LEU HB2 . 25927 1 438 . 1 1 38 38 LEU HB3 H 1 1.362 0.008 . 1 . . . A 38 LEU HB3 . 25927 1 439 . 1 1 38 38 LEU HG H 1 1.514 0.011 . 1 . . . A 38 LEU HG . 25927 1 440 . 1 1 38 38 LEU HD11 H 1 0.558 0.005 . 2 . . . A 38 LEU HD11 . 25927 1 441 . 1 1 38 38 LEU HD12 H 1 0.558 0.005 . 2 . . . A 38 LEU HD12 . 25927 1 442 . 1 1 38 38 LEU HD13 H 1 0.558 0.005 . 2 . . . A 38 LEU HD13 . 25927 1 443 . 1 1 38 38 LEU HD21 H 1 0.504 0.014 . 2 . . . A 38 LEU HD21 . 25927 1 444 . 1 1 38 38 LEU HD22 H 1 0.504 0.014 . 2 . . . A 38 LEU HD22 . 25927 1 445 . 1 1 38 38 LEU HD23 H 1 0.504 0.014 . 2 . . . A 38 LEU HD23 . 25927 1 446 . 1 1 38 38 LEU C C 13 175.770 0.006 . 1 . . . A 38 LEU C . 25927 1 447 . 1 1 38 38 LEU CA C 13 55.014 0.046 . 1 . . . A 38 LEU CA . 25927 1 448 . 1 1 38 38 LEU CB C 13 45.066 0.036 . 1 . . . A 38 LEU CB . 25927 1 449 . 1 1 38 38 LEU CG C 13 25.382 0.159 . 1 . . . A 38 LEU CG . 25927 1 450 . 1 1 38 38 LEU CD1 C 13 25.237 0.007 . 2 . . . A 38 LEU CD1 . 25927 1 451 . 1 1 38 38 LEU CD2 C 13 25.232 0.018 . 2 . . . A 38 LEU CD2 . 25927 1 452 . 1 1 38 38 LEU N N 15 126.809 0.037 . 1 . . . A 38 LEU N . 25927 1 453 . 1 1 39 39 THR H H 1 8.849 0.004 . 1 . . . A 39 THR H . 25927 1 454 . 1 1 39 39 THR HA H 1 4.799 0.002 . 1 . . . A 39 THR HA . 25927 1 455 . 1 1 39 39 THR HB H 1 3.964 0.004 . 1 . . . A 39 THR HB . 25927 1 456 . 1 1 39 39 THR HG21 H 1 0.789 0.009 . 2 . . . A 39 THR HG21 . 25927 1 457 . 1 1 39 39 THR HG22 H 1 0.789 0.009 . 2 . . . A 39 THR HG22 . 25927 1 458 . 1 1 39 39 THR HG23 H 1 0.789 0.009 . 2 . . . A 39 THR HG23 . 25927 1 459 . 1 1 39 39 THR C C 13 172.224 0.001 . 1 . . . A 39 THR C . 25927 1 460 . 1 1 39 39 THR CA C 13 61.958 0.063 . 1 . . . A 39 THR CA . 25927 1 461 . 1 1 39 39 THR CB C 13 70.327 0.058 . 1 . . . A 39 THR CB . 25927 1 462 . 1 1 39 39 THR CG2 C 13 21.710 0.000 . 1 . . . A 39 THR CG2 . 25927 1 463 . 1 1 39 39 THR N N 15 119.369 0.037 . 1 . . . A 39 THR N . 25927 1 464 . 1 1 40 40 ILE H H 1 8.562 0.004 . 1 . . . A 40 ILE H . 25927 1 465 . 1 1 40 40 ILE HA H 1 4.520 0.013 . 1 . . . A 40 ILE HA . 25927 1 466 . 1 1 40 40 ILE HB H 1 2.114 0.005 . 1 . . . A 40 ILE HB . 25927 1 467 . 1 1 40 40 ILE HG12 H 1 1.406 0.019 . 2 . . . A 40 ILE HG12 . 25927 1 468 . 1 1 40 40 ILE HG13 H 1 1.406 0.019 . 2 . . . A 40 ILE HG13 . 25927 1 469 . 1 1 40 40 ILE HG21 H 1 0.832 0.003 . 2 . . . A 40 ILE HG21 . 25927 1 470 . 1 1 40 40 ILE HG22 H 1 0.832 0.003 . 2 . . . A 40 ILE HG22 . 25927 1 471 . 1 1 40 40 ILE HG23 H 1 0.832 0.003 . 2 . . . A 40 ILE HG23 . 25927 1 472 . 1 1 40 40 ILE HD11 H 1 0.458 0.002 . 2 . . . A 40 ILE HD11 . 25927 1 473 . 1 1 40 40 ILE HD12 H 1 0.458 0.002 . 2 . . . A 40 ILE HD12 . 25927 1 474 . 1 1 40 40 ILE HD13 H 1 0.458 0.002 . 2 . . . A 40 ILE HD13 . 25927 1 475 . 1 1 40 40 ILE C C 13 173.125 0.006 . 1 . . . A 40 ILE C . 25927 1 476 . 1 1 40 40 ILE CA C 13 61.181 0.055 . 1 . . . A 40 ILE CA . 25927 1 477 . 1 1 40 40 ILE CB C 13 37.450 0.093 . 1 . . . A 40 ILE CB . 25927 1 478 . 1 1 40 40 ILE CG1 C 13 18.164 0.000 . 1 . . . A 40 ILE CG1 . 25927 1 479 . 1 1 40 40 ILE CG2 C 13 18.019 0.023 . 1 . . . A 40 ILE CG2 . 25927 1 480 . 1 1 40 40 ILE CD1 C 13 13.064 0.058 . 1 . . . A 40 ILE CD1 . 25927 1 481 . 1 1 40 40 ILE N N 15 125.490 0.056 . 1 . . . A 40 ILE N . 25927 1 482 . 1 1 41 41 ASN H H 1 9.173 0.003 . 1 . . . A 41 ASN H . 25927 1 483 . 1 1 41 41 ASN HA H 1 4.900 0.006 . 1 . . . A 41 ASN HA . 25927 1 484 . 1 1 41 41 ASN HB2 H 1 2.942 0.004 . 1 . . . A 41 ASN HB2 . 25927 1 485 . 1 1 41 41 ASN HB3 H 1 2.587 0.005 . 1 . . . A 41 ASN HB3 . 25927 1 486 . 1 1 41 41 ASN HD21 H 1 6.785 0.002 . 1 . . . A 41 ASN HD21 . 25927 1 487 . 1 1 41 41 ASN HD22 H 1 6.690 0.006 . 1 . . . A 41 ASN HD22 . 25927 1 488 . 1 1 41 41 ASN C C 13 173.445 0.005 . 1 . . . A 41 ASN C . 25927 1 489 . 1 1 41 41 ASN CA C 13 52.079 0.100 . 1 . . . A 41 ASN CA . 25927 1 490 . 1 1 41 41 ASN CB C 13 42.116 0.027 . 1 . . . A 41 ASN CB . 25927 1 491 . 1 1 41 41 ASN N N 15 124.656 0.083 . 1 . . . A 41 ASN N . 25927 1 492 . 1 1 41 41 ASN ND2 N 15 116.595 0.040 . 1 . . . A 41 ASN ND2 . 25927 1 493 . 1 1 42 42 GLU H H 1 7.741 0.003 . 1 . . . A 42 GLU H . 25927 1 494 . 1 1 42 42 GLU HA H 1 5.385 0.012 . 1 . . . A 42 GLU HA . 25927 1 495 . 1 1 42 42 GLU HB2 H 1 1.853 0.008 . 1 . . . A 42 GLU HB2 . 25927 1 496 . 1 1 42 42 GLU HB3 H 1 1.646 0.006 . 1 . . . A 42 GLU HB3 . 25927 1 497 . 1 1 42 42 GLU HG2 H 1 2.046 0.002 . 1 . . . A 42 GLU HG2 . 25927 1 498 . 1 1 42 42 GLU HG3 H 1 2.123 0.005 . 1 . . . A 42 GLU HG3 . 25927 1 499 . 1 1 42 42 GLU C C 13 173.971 0.005 . 1 . . . A 42 GLU C . 25927 1 500 . 1 1 42 42 GLU CA C 13 54.130 0.027 . 1 . . . A 42 GLU CA . 25927 1 501 . 1 1 42 42 GLU CB C 13 35.457 0.055 . 1 . . . A 42 GLU CB . 25927 1 502 . 1 1 42 42 GLU CG C 13 35.686 0.087 . 1 . . . A 42 GLU CG . 25927 1 503 . 1 1 42 42 GLU N N 15 120.095 0.025 . 1 . . . A 42 GLU N . 25927 1 504 . 1 1 43 43 ARG H H 1 9.039 0.003 . 1 . . . A 43 ARG H . 25927 1 505 . 1 1 43 43 ARG HA H 1 5.033 0.007 . 1 . . . A 43 ARG HA . 25927 1 506 . 1 1 43 43 ARG HB2 H 1 2.017 0.004 . 1 . . . A 43 ARG HB2 . 25927 1 507 . 1 1 43 43 ARG HB3 H 1 1.800 0.005 . 1 . . . A 43 ARG HB3 . 25927 1 508 . 1 1 43 43 ARG HG2 H 1 1.635 0.000 . 2 . . . A 43 ARG HG2 . 25927 1 509 . 1 1 43 43 ARG HG3 H 1 1.635 0.000 . 2 . . . A 43 ARG HG3 . 25927 1 510 . 1 1 43 43 ARG HD2 H 1 3.100 0.006 . 2 . . . A 43 ARG HD2 . 25927 1 511 . 1 1 43 43 ARG HD3 H 1 3.100 0.006 . 2 . . . A 43 ARG HD3 . 25927 1 512 . 1 1 43 43 ARG CA C 13 52.695 0.133 . 1 . . . A 43 ARG CA . 25927 1 513 . 1 1 43 43 ARG CB C 13 32.488 0.006 . 1 . . . A 43 ARG CB . 25927 1 514 . 1 1 43 43 ARG N N 15 127.178 0.033 . 1 . . . A 43 ARG N . 25927 1 515 . 1 1 44 44 PRO HA H 1 4.727 0.010 . 1 . . . A 44 PRO HA . 25927 1 516 . 1 1 44 44 PRO HB2 H 1 2.348 0.005 . 1 . . . A 44 PRO HB2 . 25927 1 517 . 1 1 44 44 PRO HB3 H 1 1.970 0.005 . 1 . . . A 44 PRO HB3 . 25927 1 518 . 1 1 44 44 PRO HG2 H 1 2.111 0.009 . 1 . . . A 44 PRO HG2 . 25927 1 519 . 1 1 44 44 PRO HG3 H 1 1.863 0.023 . 1 . . . A 44 PRO HG3 . 25927 1 520 . 1 1 44 44 PRO HD2 H 1 3.647 0.007 . 1 . . . A 44 PRO HD2 . 25927 1 521 . 1 1 44 44 PRO HD3 H 1 3.820 0.006 . 1 . . . A 44 PRO HD3 . 25927 1 522 . 1 1 44 44 PRO C C 13 176.335 0.009 . 1 . . . A 44 PRO C . 25927 1 523 . 1 1 44 44 PRO CA C 13 63.342 0.065 . 1 . . . A 44 PRO CA . 25927 1 524 . 1 1 44 44 PRO CB C 13 32.674 0.051 . 1 . . . A 44 PRO CB . 25927 1 525 . 1 1 44 44 PRO CG C 13 27.435 0.014 . 1 . . . A 44 PRO CG . 25927 1 526 . 1 1 44 44 PRO CD C 13 51.444 0.030 . 1 . . . A 44 PRO CD . 25927 1 527 . 1 1 45 45 SER H H 1 8.497 0.003 . 1 . . . A 45 SER H . 25927 1 528 . 1 1 45 45 SER HA H 1 4.837 0.000 . 1 . . . A 45 SER HA . 25927 1 529 . 1 1 45 45 SER HB2 H 1 3.828 0.007 . 2 . . . A 45 SER HB2 . 25927 1 530 . 1 1 45 45 SER HB3 H 1 3.828 0.007 . 2 . . . A 45 SER HB3 . 25927 1 531 . 1 1 45 45 SER C C 13 174.334 0.005 . 1 . . . A 45 SER C . 25927 1 532 . 1 1 45 45 SER CA C 13 56.688 0.030 . 1 . . . A 45 SER CA . 25927 1 533 . 1 1 45 45 SER CB C 13 64.628 0.006 . 1 . . . A 45 SER CB . 25927 1 534 . 1 1 45 45 SER N N 15 117.089 0.041 . 1 . . . A 45 SER N . 25927 1 535 . 1 1 46 46 ALA H H 1 8.780 0.011 . 1 . . . A 46 ALA H . 25927 1 536 . 1 1 46 46 ALA HA H 1 4.222 0.004 . 1 . . . A 46 ALA HA . 25927 1 537 . 1 1 46 46 ALA HB1 H 1 1.505 0.000 . 2 . . . A 46 ALA HB1 . 25927 1 538 . 1 1 46 46 ALA HB2 H 1 1.505 0.000 . 2 . . . A 46 ALA HB2 . 25927 1 539 . 1 1 46 46 ALA HB3 H 1 1.505 0.000 . 2 . . . A 46 ALA HB3 . 25927 1 540 . 1 1 46 46 ALA C C 13 178.171 0.001 . 1 . . . A 46 ALA C . 25927 1 541 . 1 1 46 46 ALA CA C 13 54.088 0.022 . 1 . . . A 46 ALA CA . 25927 1 542 . 1 1 46 46 ALA CB C 13 18.592 0.006 . 1 . . . A 46 ALA CB . 25927 1 543 . 1 1 46 46 ALA N N 15 126.901 0.024 . 1 . . . A 46 ALA N . 25927 1 544 . 1 1 47 47 ARG H H 1 8.381 0.003 . 1 . . . A 47 ARG H . 25927 1 545 . 1 1 47 47 ARG HA H 1 4.410 0.001 . 1 . . . A 47 ARG HA . 25927 1 546 . 1 1 47 47 ARG HB2 H 1 1.962 0.008 . 2 . . . A 47 ARG HB2 . 25927 1 547 . 1 1 47 47 ARG HB3 H 1 1.962 0.008 . 2 . . . A 47 ARG HB3 . 25927 1 548 . 1 1 47 47 ARG HG2 H 1 1.785 0.010 . 1 . . . A 47 ARG HG2 . 25927 1 549 . 1 1 47 47 ARG HG3 H 1 1.627 0.008 . 1 . . . A 47 ARG HG3 . 25927 1 550 . 1 1 47 47 ARG HD2 H 1 3.158 0.001 . 2 . . . A 47 ARG HD2 . 25927 1 551 . 1 1 47 47 ARG HD3 H 1 3.158 0.001 . 2 . . . A 47 ARG HD3 . 25927 1 552 . 1 1 47 47 ARG C C 13 175.674 0.005 . 1 . . . A 47 ARG C . 25927 1 553 . 1 1 47 47 ARG CA C 13 56.252 0.024 . 1 . . . A 47 ARG CA . 25927 1 554 . 1 1 47 47 ARG CB C 13 30.586 0.026 . 1 . . . A 47 ARG CB . 25927 1 555 . 1 1 47 47 ARG CG C 13 27.050 0.000 . 1 . . . A 47 ARG CG . 25927 1 556 . 1 1 47 47 ARG CD C 13 43.350 0.076 . 1 . . . A 47 ARG CD . 25927 1 557 . 1 1 47 47 ARG N N 15 117.860 0.031 . 1 . . . A 47 ARG N . 25927 1 558 . 1 1 48 48 ALA H H 1 8.012 0.003 . 1 . . . A 48 ALA H . 25927 1 559 . 1 1 48 48 ALA HA H 1 4.419 0.006 . 1 . . . A 48 ALA HA . 25927 1 560 . 1 1 48 48 ALA HB1 H 1 1.488 0.004 . 2 . . . A 48 ALA HB1 . 25927 1 561 . 1 1 48 48 ALA HB2 H 1 1.488 0.004 . 2 . . . A 48 ALA HB2 . 25927 1 562 . 1 1 48 48 ALA HB3 H 1 1.488 0.004 . 2 . . . A 48 ALA HB3 . 25927 1 563 . 1 1 48 48 ALA C C 13 176.874 0.001 . 1 . . . A 48 ALA C . 25927 1 564 . 1 1 48 48 ALA CA C 13 53.268 0.034 . 1 . . . A 48 ALA CA . 25927 1 565 . 1 1 48 48 ALA CB C 13 19.781 0.033 . 1 . . . A 48 ALA CB . 25927 1 566 . 1 1 48 48 ALA N N 15 121.099 0.046 . 1 . . . A 48 ALA N . 25927 1 567 . 1 1 49 49 GLY H H 1 7.946 0.004 . 1 . . . A 49 GLY H . 25927 1 568 . 1 1 49 49 GLY HA2 H 1 4.274 0.008 . 1 . . . A 49 GLY HA2 . 25927 1 569 . 1 1 49 49 GLY HA3 H 1 3.541 0.006 . 1 . . . A 49 GLY HA3 . 25927 1 570 . 1 1 49 49 GLY C C 13 172.803 0.006 . 1 . . . A 49 GLY C . 25927 1 571 . 1 1 49 49 GLY CA C 13 44.490 0.024 . 1 . . . A 49 GLY CA . 25927 1 572 . 1 1 49 49 GLY N N 15 106.126 0.025 . 1 . . . A 49 GLY N . 25927 1 573 . 1 1 50 50 SER H H 1 7.631 0.005 . 1 . . . A 50 SER H . 25927 1 574 . 1 1 50 50 SER HA H 1 4.736 0.003 . 1 . . . A 50 SER HA . 25927 1 575 . 1 1 50 50 SER HB2 H 1 3.659 0.007 . 1 . . . A 50 SER HB2 . 25927 1 576 . 1 1 50 50 SER HB3 H 1 3.306 0.010 . 1 . . . A 50 SER HB3 . 25927 1 577 . 1 1 50 50 SER C C 13 171.367 0.007 . 1 . . . A 50 SER C . 25927 1 578 . 1 1 50 50 SER CA C 13 57.165 0.076 . 1 . . . A 50 SER CA . 25927 1 579 . 1 1 50 50 SER CB C 13 66.797 0.040 . 1 . . . A 50 SER CB . 25927 1 580 . 1 1 50 50 SER N N 15 113.972 0.035 . 1 . . . A 50 SER N . 25927 1 581 . 1 1 51 51 TRP H H 1 8.588 0.004 . 1 . . . A 51 TRP H . 25927 1 582 . 1 1 51 51 TRP HA H 1 4.856 0.011 . 1 . . . A 51 TRP HA . 25927 1 583 . 1 1 51 51 TRP HB2 H 1 3.120 0.005 . 1 . . . A 51 TRP HB2 . 25927 1 584 . 1 1 51 51 TRP HB3 H 1 3.061 0.003 . 1 . . . A 51 TRP HB3 . 25927 1 585 . 1 1 51 51 TRP HD1 H 1 7.092 0.002 . 1 . . . A 51 TRP HD1 . 25927 1 586 . 1 1 51 51 TRP HE1 H 1 10.288 0.013 . 1 . . . A 51 TRP HE1 . 25927 1 587 . 1 1 51 51 TRP HE3 H 1 7.336 0.004 . 1 . . . A 51 TRP HE3 . 25927 1 588 . 1 1 51 51 TRP HZ2 H 1 7.285 0.004 . 1 . . . A 51 TRP HZ2 . 25927 1 589 . 1 1 51 51 TRP HZ3 H 1 6.930 0.003 . 1 . . . A 51 TRP HZ3 . 25927 1 590 . 1 1 51 51 TRP HH2 H 1 7.090 0.005 . 1 . . . A 51 TRP HH2 . 25927 1 591 . 1 1 51 51 TRP C C 13 176.055 0.009 . 1 . . . A 51 TRP C . 25927 1 592 . 1 1 51 51 TRP CA C 13 56.793 0.031 . 1 . . . A 51 TRP CA . 25927 1 593 . 1 1 51 51 TRP CB C 13 30.534 0.107 . 1 . . . A 51 TRP CB . 25927 1 594 . 1 1 51 51 TRP CD1 C 13 126.534 0.015 . 1 . . . A 51 TRP CD1 . 25927 1 595 . 1 1 51 51 TRP CE3 C 13 120.194 0.017 . 1 . . . A 51 TRP CE3 . 25927 1 596 . 1 1 51 51 TRP CZ2 C 13 114.758 0.035 . 1 . . . A 51 TRP CZ2 . 25927 1 597 . 1 1 51 51 TRP CZ3 C 13 121.825 0.030 . 1 . . . A 51 TRP CZ3 . 25927 1 598 . 1 1 51 51 TRP CH2 C 13 124.590 0.074 . 1 . . . A 51 TRP CH2 . 25927 1 599 . 1 1 51 51 TRP N N 15 121.787 0.058 . 1 . . . A 51 TRP N . 25927 1 600 . 1 1 51 51 TRP NE1 N 15 129.384 0.023 . 1 . . . A 51 TRP NE1 . 25927 1 601 . 1 1 52 52 ILE H H 1 8.963 0.004 . 1 . . . A 52 ILE H . 25927 1 602 . 1 1 52 52 ILE HA H 1 5.071 0.011 . 1 . . . A 52 ILE HA . 25927 1 603 . 1 1 52 52 ILE HB H 1 1.421 0.007 . 1 . . . A 52 ILE HB . 25927 1 604 . 1 1 52 52 ILE HG12 H 1 1.005 0.006 . 1 . . . A 52 ILE HG12 . 25927 1 605 . 1 1 52 52 ILE HG13 H 1 0.416 0.006 . 1 . . . A 52 ILE HG13 . 25927 1 606 . 1 1 52 52 ILE HG21 H 1 0.311 0.007 . 2 . . . A 52 ILE HG21 . 25927 1 607 . 1 1 52 52 ILE HG22 H 1 0.311 0.007 . 2 . . . A 52 ILE HG22 . 25927 1 608 . 1 1 52 52 ILE HG23 H 1 0.311 0.007 . 2 . . . A 52 ILE HG23 . 25927 1 609 . 1 1 52 52 ILE HD11 H 1 0.394 0.009 . 2 . . . A 52 ILE HD11 . 25927 1 610 . 1 1 52 52 ILE HD12 H 1 0.394 0.009 . 2 . . . A 52 ILE HD12 . 25927 1 611 . 1 1 52 52 ILE HD13 H 1 0.394 0.009 . 2 . . . A 52 ILE HD13 . 25927 1 612 . 1 1 52 52 ILE C C 13 175.754 0.006 . 1 . . . A 52 ILE C . 25927 1 613 . 1 1 52 52 ILE CA C 13 56.733 0.045 . 1 . . . A 52 ILE CA . 25927 1 614 . 1 1 52 52 ILE CB C 13 38.355 0.137 . 1 . . . A 52 ILE CB . 25927 1 615 . 1 1 52 52 ILE CG1 C 13 26.609 0.115 . 1 . . . A 52 ILE CG1 . 25927 1 616 . 1 1 52 52 ILE CG2 C 13 16.667 0.133 . 1 . . . A 52 ILE CG2 . 25927 1 617 . 1 1 52 52 ILE CD1 C 13 9.440 0.002 . 1 . . . A 52 ILE CD1 . 25927 1 618 . 1 1 52 52 ILE N N 15 126.898 0.038 . 1 . . . A 52 ILE N . 25927 1 619 . 1 1 53 53 THR H H 1 8.371 0.004 . 1 . . . A 53 THR H . 25927 1 620 . 1 1 53 53 THR HA H 1 5.095 0.005 . 1 . . . A 53 THR HA . 25927 1 621 . 1 1 53 53 THR HB H 1 3.977 0.003 . 1 . . . A 53 THR HB . 25927 1 622 . 1 1 53 53 THR HG21 H 1 1.076 0.000 . 2 . . . A 53 THR HG21 . 25927 1 623 . 1 1 53 53 THR HG22 H 1 1.076 0.000 . 2 . . . A 53 THR HG22 . 25927 1 624 . 1 1 53 53 THR HG23 H 1 1.076 0.000 . 2 . . . A 53 THR HG23 . 25927 1 625 . 1 1 53 53 THR C C 13 173.382 0.031 . 1 . . . A 53 THR C . 25927 1 626 . 1 1 53 53 THR CA C 13 59.290 0.022 . 1 . . . A 53 THR CA . 25927 1 627 . 1 1 53 53 THR CB C 13 71.819 0.041 . 1 . . . A 53 THR CB . 25927 1 628 . 1 1 53 53 THR CG2 C 13 22.862 0.000 . 1 . . . A 53 THR CG2 . 25927 1 629 . 1 1 53 53 THR N N 15 116.271 0.052 . 1 . . . A 53 THR N . 25927 1 630 . 1 1 54 54 ILE H H 1 9.056 0.005 . 1 . . . A 54 ILE H . 25927 1 631 . 1 1 54 54 ILE HA H 1 5.183 0.001 . 1 . . . A 54 ILE HA . 25927 1 632 . 1 1 54 54 ILE HB H 1 1.780 0.003 . 1 . . . A 54 ILE HB . 25927 1 633 . 1 1 54 54 ILE HG12 H 1 1.574 0.001 . 2 . . . A 54 ILE HG12 . 25927 1 634 . 1 1 54 54 ILE HG13 H 1 1.574 0.001 . 2 . . . A 54 ILE HG13 . 25927 1 635 . 1 1 54 54 ILE HG21 H 1 0.786 0.000 . 2 . . . A 54 ILE HG21 . 25927 1 636 . 1 1 54 54 ILE HG22 H 1 0.786 0.000 . 2 . . . A 54 ILE HG22 . 25927 1 637 . 1 1 54 54 ILE HG23 H 1 0.786 0.000 . 2 . . . A 54 ILE HG23 . 25927 1 638 . 1 1 54 54 ILE HD11 H 1 0.603 0.007 . 2 . . . A 54 ILE HD11 . 25927 1 639 . 1 1 54 54 ILE HD12 H 1 0.603 0.007 . 2 . . . A 54 ILE HD12 . 25927 1 640 . 1 1 54 54 ILE HD13 H 1 0.603 0.007 . 2 . . . A 54 ILE HD13 . 25927 1 641 . 1 1 54 54 ILE C C 13 175.952 0.001 . 1 . . . A 54 ILE C . 25927 1 642 . 1 1 54 54 ILE CA C 13 60.594 0.029 . 1 . . . A 54 ILE CA . 25927 1 643 . 1 1 54 54 ILE CB C 13 38.617 0.149 . 1 . . . A 54 ILE CB . 25927 1 644 . 1 1 54 54 ILE CG1 C 13 25.519 0.008 . 1 . . . A 54 ILE CG1 . 25927 1 645 . 1 1 54 54 ILE CG2 C 13 17.049 0.000 . 1 . . . A 54 ILE CG2 . 25927 1 646 . 1 1 54 54 ILE CD1 C 13 16.828 0.058 . 1 . . . A 54 ILE CD1 . 25927 1 647 . 1 1 54 54 ILE N N 15 124.947 0.035 . 1 . . . A 54 ILE N . 25927 1 648 . 1 1 55 55 THR H H 1 9.250 0.003 . 1 . . . A 55 THR H . 25927 1 649 . 1 1 55 55 THR HA H 1 5.458 0.003 . 1 . . . A 55 THR HA . 25927 1 650 . 1 1 55 55 THR HB H 1 3.773 0.008 . 1 . . . A 55 THR HB . 25927 1 651 . 1 1 55 55 THR HG21 H 1 0.869 0.006 . 2 . . . A 55 THR HG21 . 25927 1 652 . 1 1 55 55 THR HG22 H 1 0.869 0.006 . 2 . . . A 55 THR HG22 . 25927 1 653 . 1 1 55 55 THR HG23 H 1 0.869 0.006 . 2 . . . A 55 THR HG23 . 25927 1 654 . 1 1 55 55 THR C C 13 173.980 0.001 . 1 . . . A 55 THR C . 25927 1 655 . 1 1 55 55 THR CA C 13 58.717 0.034 . 1 . . . A 55 THR CA . 25927 1 656 . 1 1 55 55 THR CB C 13 71.839 0.024 . 1 . . . A 55 THR CB . 25927 1 657 . 1 1 55 55 THR CG2 C 13 21.974 0.000 . 1 . . . A 55 THR CG2 . 25927 1 658 . 1 1 55 55 THR N N 15 118.298 0.063 . 1 . . . A 55 THR N . 25927 1 659 . 1 1 56 56 VAL H H 1 8.435 0.004 . 1 . . . A 56 VAL H . 25927 1 660 . 1 1 56 56 VAL HA H 1 4.420 0.002 . 1 . . . A 56 VAL HA . 25927 1 661 . 1 1 56 56 VAL HB H 1 1.885 0.008 . 1 . . . A 56 VAL HB . 25927 1 662 . 1 1 56 56 VAL HG11 H 1 0.996 0.003 . 2 . . . A 56 VAL HG11 . 25927 1 663 . 1 1 56 56 VAL HG12 H 1 0.996 0.003 . 2 . . . A 56 VAL HG12 . 25927 1 664 . 1 1 56 56 VAL HG13 H 1 0.996 0.003 . 2 . . . A 56 VAL HG13 . 25927 1 665 . 1 1 56 56 VAL HG21 H 1 0.996 0.003 . 2 . . . A 56 VAL HG21 . 25927 1 666 . 1 1 56 56 VAL HG22 H 1 0.996 0.003 . 2 . . . A 56 VAL HG22 . 25927 1 667 . 1 1 56 56 VAL HG23 H 1 0.996 0.003 . 2 . . . A 56 VAL HG23 . 25927 1 668 . 1 1 56 56 VAL C C 13 176.226 0.024 . 1 . . . A 56 VAL C . 25927 1 669 . 1 1 56 56 VAL CA C 13 61.041 0.019 . 1 . . . A 56 VAL CA . 25927 1 670 . 1 1 56 56 VAL CB C 13 33.761 0.031 . 1 . . . A 56 VAL CB . 25927 1 671 . 1 1 56 56 VAL CG1 C 13 21.392 0.000 . 2 . . . A 56 VAL CG1 . 25927 1 672 . 1 1 56 56 VAL CG2 C 13 21.169 0.163 . 2 . . . A 56 VAL CG2 . 25927 1 673 . 1 1 56 56 VAL N N 15 120.047 0.047 . 1 . . . A 56 VAL N . 25927 1 674 . 1 1 57 57 ASN H H 1 9.199 0.004 . 1 . . . A 57 ASN H . 25927 1 675 . 1 1 57 57 ASN HA H 1 4.195 0.008 . 1 . . . A 57 ASN HA . 25927 1 676 . 1 1 57 57 ASN HB2 H 1 3.002 0.003 . 1 . . . A 57 ASN HB2 . 25927 1 677 . 1 1 57 57 ASN HB3 H 1 3.140 0.004 . 1 . . . A 57 ASN HB3 . 25927 1 678 . 1 1 57 57 ASN HD21 H 1 7.746 0.002 . 1 . . . A 57 ASN HD21 . 25927 1 679 . 1 1 57 57 ASN HD22 H 1 7.047 0.004 . 1 . . . A 57 ASN HD22 . 25927 1 680 . 1 1 57 57 ASN C C 13 175.026 0.006 . 1 . . . A 57 ASN C . 25927 1 681 . 1 1 57 57 ASN CA C 13 55.696 0.027 . 1 . . . A 57 ASN CA . 25927 1 682 . 1 1 57 57 ASN CB C 13 36.999 0.015 . 1 . . . A 57 ASN CB . 25927 1 683 . 1 1 57 57 ASN N N 15 125.479 0.038 . 1 . . . A 57 ASN N . 25927 1 684 . 1 1 57 57 ASN ND2 N 15 113.761 0.047 . 1 . . . A 57 ASN ND2 . 25927 1 685 . 1 1 58 58 GLN H H 1 8.576 0.005 . 1 . . . A 58 GLN H . 25927 1 686 . 1 1 58 58 GLN HA H 1 4.186 0.004 . 1 . . . A 58 GLN HA . 25927 1 687 . 1 1 58 58 GLN HB2 H 1 2.319 0.003 . 1 . . . A 58 GLN HB2 . 25927 1 688 . 1 1 58 58 GLN HB3 H 1 2.168 0.004 . 1 . . . A 58 GLN HB3 . 25927 1 689 . 1 1 58 58 GLN HG2 H 1 2.345 0.006 . 1 . . . A 58 GLN HG2 . 25927 1 690 . 1 1 58 58 GLN HG3 H 1 2.292 0.004 . 1 . . . A 58 GLN HG3 . 25927 1 691 . 1 1 58 58 GLN HE21 H 1 7.556 0.000 . 1 . . . A 58 GLN HE21 . 25927 1 692 . 1 1 58 58 GLN HE22 H 1 6.844 0.000 . 1 . . . A 58 GLN HE22 . 25927 1 693 . 1 1 58 58 GLN C C 13 175.237 0.007 . 1 . . . A 58 GLN C . 25927 1 694 . 1 1 58 58 GLN CA C 13 56.839 0.039 . 1 . . . A 58 GLN CA . 25927 1 695 . 1 1 58 58 GLN CB C 13 28.583 0.034 . 1 . . . A 58 GLN CB . 25927 1 696 . 1 1 58 58 GLN CG C 13 34.385 0.000 . 1 . . . A 58 GLN CG . 25927 1 697 . 1 1 58 58 GLN N N 15 116.897 0.036 . 1 . . . A 58 GLN N . 25927 1 698 . 1 1 58 58 GLN NE2 N 15 112.513 0.000 . 1 . . . A 58 GLN NE2 . 25927 1 699 . 1 1 59 59 ASP H H 1 8.343 0.002 . 1 . . . A 59 ASP H . 25927 1 700 . 1 1 59 59 ASP HA H 1 4.716 0.002 . 1 . . . A 59 ASP HA . 25927 1 701 . 1 1 59 59 ASP HB2 H 1 2.825 0.008 . 1 . . . A 59 ASP HB2 . 25927 1 702 . 1 1 59 59 ASP HB3 H 1 2.607 0.023 . 1 . . . A 59 ASP HB3 . 25927 1 703 . 1 1 59 59 ASP C C 13 175.302 0.041 . 1 . . . A 59 ASP C . 25927 1 704 . 1 1 59 59 ASP CA C 13 54.133 0.040 . 1 . . . A 59 ASP CA . 25927 1 705 . 1 1 59 59 ASP CB C 13 41.453 0.018 . 1 . . . A 59 ASP CB . 25927 1 706 . 1 1 59 59 ASP N N 15 122.465 0.033 . 1 . . . A 59 ASP N . 25927 1 707 . 1 1 60 60 VAL H H 1 8.754 0.003 . 1 . . . A 60 VAL H . 25927 1 708 . 1 1 60 60 VAL HA H 1 3.877 0.007 . 1 . . . A 60 VAL HA . 25927 1 709 . 1 1 60 60 VAL HB H 1 1.991 0.003 . 1 . . . A 60 VAL HB . 25927 1 710 . 1 1 60 60 VAL HG11 H 1 0.913 0.007 . 2 . . . A 60 VAL HG11 . 25927 1 711 . 1 1 60 60 VAL HG12 H 1 0.913 0.007 . 2 . . . A 60 VAL HG12 . 25927 1 712 . 1 1 60 60 VAL HG13 H 1 0.913 0.007 . 2 . . . A 60 VAL HG13 . 25927 1 713 . 1 1 60 60 VAL HG21 H 1 0.776 0.004 . 2 . . . A 60 VAL HG21 . 25927 1 714 . 1 1 60 60 VAL HG22 H 1 0.776 0.004 . 2 . . . A 60 VAL HG22 . 25927 1 715 . 1 1 60 60 VAL HG23 H 1 0.776 0.004 . 2 . . . A 60 VAL HG23 . 25927 1 716 . 1 1 60 60 VAL C C 13 176.802 0.012 . 1 . . . A 60 VAL C . 25927 1 717 . 1 1 60 60 VAL CA C 13 63.781 0.042 . 1 . . . A 60 VAL CA . 25927 1 718 . 1 1 60 60 VAL CB C 13 31.734 0.056 . 1 . . . A 60 VAL CB . 25927 1 719 . 1 1 60 60 VAL CG1 C 13 21.574 0.069 . 2 . . . A 60 VAL CG1 . 25927 1 720 . 1 1 60 60 VAL CG2 C 13 21.562 0.058 . 2 . . . A 60 VAL CG2 . 25927 1 721 . 1 1 60 60 VAL N N 15 124.577 0.035 . 1 . . . A 60 VAL N . 25927 1 722 . 1 1 61 61 ILE H H 1 8.984 0.005 . 1 . . . A 61 ILE H . 25927 1 723 . 1 1 61 61 ILE HA H 1 4.519 0.006 . 1 . . . A 61 ILE HA . 25927 1 724 . 1 1 61 61 ILE HB H 1 1.972 0.002 . 1 . . . A 61 ILE HB . 25927 1 725 . 1 1 61 61 ILE HG12 H 1 1.163 0.009 . 1 . . . A 61 ILE HG12 . 25927 1 726 . 1 1 61 61 ILE HG13 H 1 1.255 0.004 . 1 . . . A 61 ILE HG13 . 25927 1 727 . 1 1 61 61 ILE HG21 H 1 0.889 0.011 . 2 . . . A 61 ILE HG21 . 25927 1 728 . 1 1 61 61 ILE HG22 H 1 0.889 0.011 . 2 . . . A 61 ILE HG22 . 25927 1 729 . 1 1 61 61 ILE HG23 H 1 0.889 0.011 . 2 . . . A 61 ILE HG23 . 25927 1 730 . 1 1 61 61 ILE HD11 H 1 0.789 0.047 . 2 . . . A 61 ILE HD11 . 25927 1 731 . 1 1 61 61 ILE HD12 H 1 0.789 0.047 . 2 . . . A 61 ILE HD12 . 25927 1 732 . 1 1 61 61 ILE HD13 H 1 0.789 0.047 . 2 . . . A 61 ILE HD13 . 25927 1 733 . 1 1 61 61 ILE C C 13 175.073 0.009 . 1 . . . A 61 ILE C . 25927 1 734 . 1 1 61 61 ILE CA C 13 60.599 0.037 . 1 . . . A 61 ILE CA . 25927 1 735 . 1 1 61 61 ILE CB C 13 38.970 0.040 . 1 . . . A 61 ILE CB . 25927 1 736 . 1 1 61 61 ILE CG1 C 13 26.483 0.088 . 1 . . . A 61 ILE CG1 . 25927 1 737 . 1 1 61 61 ILE CG2 C 13 18.584 0.008 . 1 . . . A 61 ILE CG2 . 25927 1 738 . 1 1 61 61 ILE CD1 C 13 13.621 0.002 . 1 . . . A 61 ILE CD1 . 25927 1 739 . 1 1 61 61 ILE N N 15 123.852 0.046 . 1 . . . A 61 ILE N . 25927 1 740 . 1 1 62 62 PHE H H 1 7.557 0.004 . 1 . . . A 62 PHE H . 25927 1 741 . 1 1 62 62 PHE HA H 1 4.646 0.006 . 1 . . . A 62 PHE HA . 25927 1 742 . 1 1 62 62 PHE HB2 H 1 3.358 0.008 . 1 . . . A 62 PHE HB2 . 25927 1 743 . 1 1 62 62 PHE HB3 H 1 2.396 0.008 . 1 . . . A 62 PHE HB3 . 25927 1 744 . 1 1 62 62 PHE HD1 H 1 7.039 0.012 . 3 . . . A 62 PHE HD1 . 25927 1 745 . 1 1 62 62 PHE HD2 H 1 7.039 0.012 . 3 . . . A 62 PHE HD2 . 25927 1 746 . 1 1 62 62 PHE HE1 H 1 7.164 0.008 . 3 . . . A 62 PHE HE1 . 25927 1 747 . 1 1 62 62 PHE HE2 H 1 7.164 0.008 . 3 . . . A 62 PHE HE2 . 25927 1 748 . 1 1 62 62 PHE HZ H 1 7.276 0.014 . 1 . . . A 62 PHE HZ . 25927 1 749 . 1 1 62 62 PHE C C 13 171.958 0.205 . 1 . . . A 62 PHE C . 25927 1 750 . 1 1 62 62 PHE CA C 13 58.371 0.015 . 1 . . . A 62 PHE CA . 25927 1 751 . 1 1 62 62 PHE CB C 13 42.810 0.054 . 1 . . . A 62 PHE CB . 25927 1 752 . 1 1 62 62 PHE CD1 C 13 131.145 0.064 . 3 . . . A 62 PHE CD1 . 25927 1 753 . 1 1 62 62 PHE CD2 C 13 131.155 0.064 . 3 . . . A 62 PHE CD2 . 25927 1 754 . 1 1 62 62 PHE CE1 C 13 131.225 0.054 . 3 . . . A 62 PHE CE1 . 25927 1 755 . 1 1 62 62 PHE CE2 C 13 131.219 0.054 . 3 . . . A 62 PHE CE2 . 25927 1 756 . 1 1 62 62 PHE N N 15 119.927 0.027 . 1 . . . A 62 PHE N . 25927 1 757 . 1 1 63 63 GLN H H 1 7.389 0.005 . 1 . . . A 63 GLN H . 25927 1 758 . 1 1 63 63 GLN HA H 1 5.109 0.007 . 1 . . . A 63 GLN HA . 25927 1 759 . 1 1 63 63 GLN HB2 H 1 1.777 0.005 . 2 . . . A 63 GLN HB2 . 25927 1 760 . 1 1 63 63 GLN HB3 H 1 1.777 0.005 . 2 . . . A 63 GLN HB3 . 25927 1 761 . 1 1 63 63 GLN HG2 H 1 2.134 0.006 . 2 . . . A 63 GLN HG2 . 25927 1 762 . 1 1 63 63 GLN HG3 H 1 2.134 0.006 . 2 . . . A 63 GLN HG3 . 25927 1 763 . 1 1 63 63 GLN HE21 H 1 7.192 0.002 . 1 . . . A 63 GLN HE21 . 25927 1 764 . 1 1 63 63 GLN HE22 H 1 6.583 0.001 . 1 . . . A 63 GLN HE22 . 25927 1 765 . 1 1 63 63 GLN C C 13 172.837 0.002 . 1 . . . A 63 GLN C . 25927 1 766 . 1 1 63 63 GLN CA C 13 53.762 0.011 . 1 . . . A 63 GLN CA . 25927 1 767 . 1 1 63 63 GLN CB C 13 32.680 0.044 . 1 . . . A 63 GLN CB . 25927 1 768 . 1 1 63 63 GLN CG C 13 33.465 0.004 . 1 . . . A 63 GLN CG . 25927 1 769 . 1 1 63 63 GLN N N 15 125.524 0.032 . 1 . . . A 63 GLN N . 25927 1 770 . 1 1 63 63 GLN NE2 N 15 111.370 0.034 . 1 . . . A 63 GLN NE2 . 25927 1 771 . 1 1 64 64 THR H H 1 8.588 0.003 . 1 . . . A 64 THR H . 25927 1 772 . 1 1 64 64 THR HA H 1 4.428 0.003 . 1 . . . A 64 THR HA . 25927 1 773 . 1 1 64 64 THR HB H 1 3.888 0.005 . 1 . . . A 64 THR HB . 25927 1 774 . 1 1 64 64 THR HG21 H 1 0.734 0.001 . 2 . . . A 64 THR HG21 . 25927 1 775 . 1 1 64 64 THR HG22 H 1 0.734 0.001 . 2 . . . A 64 THR HG22 . 25927 1 776 . 1 1 64 64 THR HG23 H 1 0.734 0.001 . 2 . . . A 64 THR HG23 . 25927 1 777 . 1 1 64 64 THR C C 13 169.980 0.005 . 1 . . . A 64 THR C . 25927 1 778 . 1 1 64 64 THR CA C 13 60.555 0.043 . 1 . . . A 64 THR CA . 25927 1 779 . 1 1 64 64 THR CB C 13 69.083 0.115 . 1 . . . A 64 THR CB . 25927 1 780 . 1 1 64 64 THR CG2 C 13 18.813 0.007 . 1 . . . A 64 THR CG2 . 25927 1 781 . 1 1 64 64 THR N N 15 115.981 0.022 . 1 . . . A 64 THR N . 25927 1 782 . 1 1 65 65 PHE H H 1 8.054 0.009 . 1 . . . A 65 PHE H . 25927 1 783 . 1 1 65 65 PHE HA H 1 4.414 0.008 . 1 . . . A 65 PHE HA . 25927 1 784 . 1 1 65 65 PHE HB2 H 1 2.313 0.008 . 1 . . . A 65 PHE HB2 . 25927 1 785 . 1 1 65 65 PHE HB3 H 1 1.966 0.013 . 1 . . . A 65 PHE HB3 . 25927 1 786 . 1 1 65 65 PHE HD1 H 1 5.483 0.012 . 3 . . . A 65 PHE HD1 . 25927 1 787 . 1 1 65 65 PHE HD2 H 1 5.483 0.012 . 3 . . . A 65 PHE HD2 . 25927 1 788 . 1 1 65 65 PHE HE1 H 1 6.517 0.010 . 3 . . . A 65 PHE HE1 . 25927 1 789 . 1 1 65 65 PHE HE2 H 1 6.517 0.010 . 3 . . . A 65 PHE HE2 . 25927 1 790 . 1 1 65 65 PHE HZ H 1 6.772 0.012 . 1 . . . A 65 PHE HZ . 25927 1 791 . 1 1 65 65 PHE C C 13 173.940 0.010 . 1 . . . A 65 PHE C . 25927 1 792 . 1 1 65 65 PHE CA C 13 57.250 0.048 . 1 . . . A 65 PHE CA . 25927 1 793 . 1 1 65 65 PHE CB C 13 40.713 0.072 . 1 . . . A 65 PHE CB . 25927 1 794 . 1 1 65 65 PHE CD1 C 13 131.398 0.046 . 3 . . . A 65 PHE CD1 . 25927 1 795 . 1 1 65 65 PHE CD2 C 13 131.398 0.043 . 3 . . . A 65 PHE CD2 . 25927 1 796 . 1 1 65 65 PHE CE1 C 13 130.536 0.154 . 3 . . . A 65 PHE CE1 . 25927 1 797 . 1 1 65 65 PHE CE2 C 13 130.536 0.156 . 3 . . . A 65 PHE CE2 . 25927 1 798 . 1 1 65 65 PHE CZ C 13 128.914 0.044 . 1 . . . A 65 PHE CZ . 25927 1 799 . 1 1 65 65 PHE N N 15 125.997 0.037 . 1 . . . A 65 PHE N . 25927 1 800 . 1 1 66 66 LEU H H 1 8.383 0.004 . 1 . . . A 66 LEU H . 25927 1 801 . 1 1 66 66 LEU HA H 1 4.452 0.008 . 1 . . . A 66 LEU HA . 25927 1 802 . 1 1 66 66 LEU HB2 H 1 1.002 0.005 . 1 . . . A 66 LEU HB2 . 25927 1 803 . 1 1 66 66 LEU HB3 H 1 1.436 0.012 . 1 . . . A 66 LEU HB3 . 25927 1 804 . 1 1 66 66 LEU HG H 1 1.309 0.002 . 1 . . . A 66 LEU HG . 25927 1 805 . 1 1 66 66 LEU HD11 H 1 0.792 0.010 . 2 . . . A 66 LEU HD11 . 25927 1 806 . 1 1 66 66 LEU HD12 H 1 0.792 0.010 . 2 . . . A 66 LEU HD12 . 25927 1 807 . 1 1 66 66 LEU HD13 H 1 0.792 0.010 . 2 . . . A 66 LEU HD13 . 25927 1 808 . 1 1 66 66 LEU HD21 H 1 0.719 0.004 . 2 . . . A 66 LEU HD21 . 25927 1 809 . 1 1 66 66 LEU HD22 H 1 0.719 0.004 . 2 . . . A 66 LEU HD22 . 25927 1 810 . 1 1 66 66 LEU HD23 H 1 0.719 0.004 . 2 . . . A 66 LEU HD23 . 25927 1 811 . 1 1 66 66 LEU C C 13 174.502 0.000 . 1 . . . A 66 LEU C . 25927 1 812 . 1 1 66 66 LEU CB C 13 43.609 0.061 . 1 . . . A 66 LEU CB . 25927 1 813 . 1 1 66 66 LEU CG C 13 26.679 0.003 . 1 . . . A 66 LEU CG . 25927 1 814 . 1 1 66 66 LEU CD1 C 13 25.484 0.055 . 1 . . . A 66 LEU CD1 . 25927 1 815 . 1 1 66 66 LEU CD2 C 13 24.766 0.000 . 1 . . . A 66 LEU CD2 . 25927 1 816 . 1 1 66 66 LEU N N 15 127.935 0.043 . 1 . . . A 66 LEU N . 25927 1 817 . 1 1 67 67 PHE H H 1 8.285 0.002 . 1 . . . A 67 PHE H . 25927 1 818 . 1 1 67 67 PHE HA H 1 4.624 0.000 . 1 . . . A 67 PHE HA . 25927 1 819 . 1 1 67 67 PHE HB2 H 1 3.082 0.003 . 1 . . . A 67 PHE HB2 . 25927 1 820 . 1 1 67 67 PHE HB3 H 1 3.309 0.004 . 1 . . . A 67 PHE HB3 . 25927 1 821 . 1 1 67 67 PHE HD1 H 1 7.526 0.005 . 3 . . . A 67 PHE HD1 . 25927 1 822 . 1 1 67 67 PHE HD2 H 1 7.526 0.005 . 3 . . . A 67 PHE HD2 . 25927 1 823 . 1 1 67 67 PHE HE1 H 1 7.438 0.002 . 3 . . . A 67 PHE HE1 . 25927 1 824 . 1 1 67 67 PHE HE2 H 1 7.438 0.002 . 3 . . . A 67 PHE HE2 . 25927 1 825 . 1 1 67 67 PHE HZ H 1 7.305 0.005 . 1 . . . A 67 PHE HZ . 25927 1 826 . 1 1 67 67 PHE CB C 13 39.127 0.017 . 1 . . . A 67 PHE CB . 25927 1 827 . 1 1 67 67 PHE CD1 C 13 131.981 0.086 . 3 . . . A 67 PHE CD1 . 25927 1 828 . 1 1 67 67 PHE CD2 C 13 131.975 0.079 . 3 . . . A 67 PHE CD2 . 25927 1 829 . 1 1 67 67 PHE CE1 C 13 131.921 0.058 . 3 . . . A 67 PHE CE1 . 25927 1 830 . 1 1 67 67 PHE CE2 C 13 131.909 0.059 . 3 . . . A 67 PHE CE2 . 25927 1 831 . 1 1 67 67 PHE CZ C 13 130.079 0.049 . 1 . . . A 67 PHE CZ . 25927 1 832 . 1 1 67 67 PHE N N 15 123.162 0.112 . 1 . . . A 67 PHE N . 25927 1 833 . 1 1 68 68 PRO HA H 1 4.447 0.008 . 1 . . . A 68 PRO HA . 25927 1 834 . 1 1 68 68 PRO HB2 H 1 2.281 0.012 . 1 . . . A 68 PRO HB2 . 25927 1 835 . 1 1 68 68 PRO HB3 H 1 1.965 0.010 . 1 . . . A 68 PRO HB3 . 25927 1 836 . 1 1 68 68 PRO HG2 H 1 2.102 0.007 . 1 . . . A 68 PRO HG2 . 25927 1 837 . 1 1 68 68 PRO HG3 H 1 1.954 0.007 . 1 . . . A 68 PRO HG3 . 25927 1 838 . 1 1 68 68 PRO HD2 H 1 3.867 0.013 . 2 . . . A 68 PRO HD2 . 25927 1 839 . 1 1 68 68 PRO HD3 H 1 3.867 0.013 . 2 . . . A 68 PRO HD3 . 25927 1 840 . 1 1 68 68 PRO C C 13 175.918 0.002 . 1 . . . A 68 PRO C . 25927 1 841 . 1 1 68 68 PRO CA C 13 61.623 0.535 . 9 . . . A 68 PRO CA . 25927 1 842 . 1 1 68 68 PRO CB C 13 32.221 0.036 . 1 . . . A 68 PRO CB . 25927 1 843 . 1 1 68 68 PRO CG C 13 27.456 0.019 . 1 . . . A 68 PRO CG . 25927 1 844 . 1 1 68 68 PRO CD C 13 50.767 0.064 . 1 . . . A 68 PRO CD . 25927 1 845 . 1 1 69 69 LEU H H 1 8.300 0.002 . 1 . . . A 69 LEU H . 25927 1 846 . 1 1 69 69 LEU HA H 1 4.194 0.009 . 1 . . . A 69 LEU HA . 25927 1 847 . 1 1 69 69 LEU HB2 H 1 1.848 0.006 . 1 . . . A 69 LEU HB2 . 25927 1 848 . 1 1 69 69 LEU HB3 H 1 1.675 0.000 . 1 . . . A 69 LEU HB3 . 25927 1 849 . 1 1 69 69 LEU HD11 H 1 0.937 0.007 . 2 . . . A 69 LEU HD11 . 25927 1 850 . 1 1 69 69 LEU HD12 H 1 0.937 0.007 . 2 . . . A 69 LEU HD12 . 25927 1 851 . 1 1 69 69 LEU HD13 H 1 0.937 0.007 . 2 . . . A 69 LEU HD13 . 25927 1 852 . 1 1 69 69 LEU CA C 13 55.251 0.007 . 1 . . . A 69 LEU CA . 25927 1 853 . 1 1 69 69 LEU CB C 13 40.677 0.045 . 1 . . . A 69 LEU CB . 25927 1 854 . 1 1 69 69 LEU N N 15 121.360 0.185 . 1 . . . A 69 LEU N . 25927 1 855 . 1 1 70 70 LYS H H 1 8.156 0.000 . 9 . . . A 70 LYS H . 25927 1 856 . 1 1 70 70 LYS CA C 13 55.700 0.042 . 9 . . . A 70 LYS CA . 25927 1 857 . 1 1 70 70 LYS CB C 13 29.720 0.023 . 9 . . . A 70 LYS CB . 25927 1 858 . 1 1 70 70 LYS CG C 13 26.397 0.000 . 9 . . . A 70 LYS CG . 25927 1 859 . 1 1 70 70 LYS CD C 13 28.694 0.000 . 9 . . . A 70 LYS CD . 25927 1 860 . 1 1 70 70 LYS N N 15 123.012 0.000 . 9 . . . A 70 LYS N . 25927 1 861 . 1 1 71 71 ARG H H 1 8.279 0.001 . 9 . . . A 71 ARG H . 25927 1 862 . 1 1 71 71 ARG C C 13 179.581 0.000 . 9 . . . A 71 ARG C . 25927 1 863 . 1 1 71 71 ARG CA C 13 57.218 0.000 . 9 . . . A 71 ARG CA . 25927 1 864 . 1 1 71 71 ARG N N 15 125.250 0.038 . 9 . . . A 71 ARG N . 25927 1 865 . 1 1 72 72 ASP H H 1 8.182 0.003 . 9 . . . A 72 ASP H . 25927 1 866 . 1 1 72 72 ASP HA H 1 4.746 0.007 . 1 . . . A 72 ASP HA . 25927 1 867 . 1 1 72 72 ASP HB2 H 1 3.017 0.004 . 1 . . . A 72 ASP HB2 . 25927 1 868 . 1 1 72 72 ASP HB3 H 1 2.847 0.004 . 1 . . . A 72 ASP HB3 . 25927 1 869 . 1 1 72 72 ASP C C 13 177.124 0.013 . 1 . . . A 72 ASP C . 25927 1 870 . 1 1 72 72 ASP CA C 13 55.673 0.108 . 1 . . . A 72 ASP CA . 25927 1 871 . 1 1 72 72 ASP CB C 13 40.047 0.038 . 1 . . . A 72 ASP CB . 25927 1 872 . 1 1 72 72 ASP N N 15 119.355 0.000 . 9 . . . A 72 ASP N . 25927 1 873 . 1 1 73 73 PHE H H 1 8.197 0.003 . 1 . . . A 73 PHE H . 25927 1 874 . 1 1 73 73 PHE HA H 1 4.130 0.004 . 1 . . . A 73 PHE HA . 25927 1 875 . 1 1 73 73 PHE HB2 H 1 3.155 0.004 . 1 . . . A 73 PHE HB2 . 25927 1 876 . 1 1 73 73 PHE HB3 H 1 3.292 0.006 . 1 . . . A 73 PHE HB3 . 25927 1 877 . 1 1 73 73 PHE HD1 H 1 7.338 0.008 . 3 . . . A 73 PHE HD1 . 25927 1 878 . 1 1 73 73 PHE HD2 H 1 7.338 0.008 . 3 . . . A 73 PHE HD2 . 25927 1 879 . 1 1 73 73 PHE HE1 H 1 7.312 0.013 . 3 . . . A 73 PHE HE1 . 25927 1 880 . 1 1 73 73 PHE HE2 H 1 7.312 0.013 . 3 . . . A 73 PHE HE2 . 25927 1 881 . 1 1 73 73 PHE HZ H 1 7.045 0.009 . 1 . . . A 73 PHE HZ . 25927 1 882 . 1 1 73 73 PHE C C 13 176.729 0.004 . 1 . . . A 73 PHE C . 25927 1 883 . 1 1 73 73 PHE CA C 13 63.022 0.020 . 1 . . . A 73 PHE CA . 25927 1 884 . 1 1 73 73 PHE CB C 13 40.204 0.034 . 1 . . . A 73 PHE CB . 25927 1 885 . 1 1 73 73 PHE CD1 C 13 132.343 0.014 . 3 . . . A 73 PHE CD1 . 25927 1 886 . 1 1 73 73 PHE CD2 C 13 132.355 0.009 . 3 . . . A 73 PHE CD2 . 25927 1 887 . 1 1 73 73 PHE CE1 C 13 131.340 0.027 . 3 . . . A 73 PHE CE1 . 25927 1 888 . 1 1 73 73 PHE CE2 C 13 131.186 0.000 . 3 . . . A 73 PHE CE2 . 25927 1 889 . 1 1 73 73 PHE CZ C 13 129.182 0.013 . 1 . . . A 73 PHE CZ . 25927 1 890 . 1 1 73 73 PHE N N 15 122.846 0.047 . 1 . . . A 73 PHE N . 25927 1 891 . 1 1 74 74 GLU H H 1 9.098 0.004 . 1 . . . A 74 GLU H . 25927 1 892 . 1 1 74 74 GLU HA H 1 3.844 0.005 . 1 . . . A 74 GLU HA . 25927 1 893 . 1 1 74 74 GLU HB2 H 1 2.191 0.007 . 1 . . . A 74 GLU HB2 . 25927 1 894 . 1 1 74 74 GLU HB3 H 1 2.100 0.007 . 1 . . . A 74 GLU HB3 . 25927 1 895 . 1 1 74 74 GLU HG2 H 1 2.474 0.006 . 2 . . . A 74 GLU HG2 . 25927 1 896 . 1 1 74 74 GLU HG3 H 1 2.474 0.006 . 2 . . . A 74 GLU HG3 . 25927 1 897 . 1 1 74 74 GLU C C 13 179.310 0.002 . 1 . . . A 74 GLU C . 25927 1 898 . 1 1 74 74 GLU CA C 13 60.651 0.058 . 1 . . . A 74 GLU CA . 25927 1 899 . 1 1 74 74 GLU CB C 13 28.649 0.107 . 1 . . . A 74 GLU CB . 25927 1 900 . 1 1 74 74 GLU CG C 13 36.976 0.018 . 1 . . . A 74 GLU CG . 25927 1 901 . 1 1 74 74 GLU N N 15 118.652 0.036 . 1 . . . A 74 GLU N . 25927 1 902 . 1 1 75 75 LYS H H 1 8.078 0.004 . 1 . . . A 75 LYS H . 25927 1 903 . 1 1 75 75 LYS HA H 1 4.079 0.007 . 1 . . . A 75 LYS HA . 25927 1 904 . 1 1 75 75 LYS HB2 H 1 1.899 0.004 . 2 . . . A 75 LYS HB2 . 25927 1 905 . 1 1 75 75 LYS HB3 H 1 1.966 0.005 . 2 . . . A 75 LYS HB3 . 25927 1 906 . 1 1 75 75 LYS HG2 H 1 1.522 0.000 . 1 . . . A 75 LYS HG2 . 25927 1 907 . 1 1 75 75 LYS HG3 H 1 1.600 0.001 . 1 . . . A 75 LYS HG3 . 25927 1 908 . 1 1 75 75 LYS HD2 H 1 1.731 0.005 . 2 . . . A 75 LYS HD2 . 25927 1 909 . 1 1 75 75 LYS HD3 H 1 1.731 0.005 . 2 . . . A 75 LYS HD3 . 25927 1 910 . 1 1 75 75 LYS HE2 H 1 3.036 0.001 . 2 . . . A 75 LYS HE2 . 25927 1 911 . 1 1 75 75 LYS HE3 H 1 3.036 0.001 . 2 . . . A 75 LYS HE3 . 25927 1 912 . 1 1 75 75 LYS C C 13 179.312 0.001 . 1 . . . A 75 LYS C . 25927 1 913 . 1 1 75 75 LYS CA C 13 59.280 0.031 . 1 . . . A 75 LYS CA . 25927 1 914 . 1 1 75 75 LYS CB C 13 32.343 0.065 . 1 . . . A 75 LYS CB . 25927 1 915 . 1 1 75 75 LYS CG C 13 25.005 0.003 . 1 . . . A 75 LYS CG . 25927 1 916 . 1 1 75 75 LYS CD C 13 29.701 0.003 . 1 . . . A 75 LYS CD . 25927 1 917 . 1 1 75 75 LYS CE C 13 42.140 0.000 . 1 . . . A 75 LYS CE . 25927 1 918 . 1 1 75 75 LYS N N 15 117.836 0.039 . 1 . . . A 75 LYS N . 25927 1 919 . 1 1 76 76 THR H H 1 8.031 0.003 . 1 . . . A 76 THR H . 25927 1 920 . 1 1 76 76 THR HA H 1 4.168 0.008 . 1 . . . A 76 THR HA . 25927 1 921 . 1 1 76 76 THR HB H 1 4.446 0.004 . 1 . . . A 76 THR HB . 25927 1 922 . 1 1 76 76 THR HG21 H 1 1.414 0.003 . 2 . . . A 76 THR HG21 . 25927 1 923 . 1 1 76 76 THR HG22 H 1 1.414 0.003 . 2 . . . A 76 THR HG22 . 25927 1 924 . 1 1 76 76 THR HG23 H 1 1.414 0.003 . 2 . . . A 76 THR HG23 . 25927 1 925 . 1 1 76 76 THR C C 13 175.873 0.019 . 1 . . . A 76 THR C . 25927 1 926 . 1 1 76 76 THR CA C 13 67.009 0.031 . 1 . . . A 76 THR CA . 25927 1 927 . 1 1 76 76 THR CB C 13 68.404 0.122 . 1 . . . A 76 THR CB . 25927 1 928 . 1 1 76 76 THR CG2 C 13 22.410 0.005 . 1 . . . A 76 THR CG2 . 25927 1 929 . 1 1 76 76 THR N N 15 118.581 0.042 . 1 . . . A 76 THR N . 25927 1 930 . 1 1 77 77 VAL H H 1 7.999 0.009 . 1 . . . A 77 VAL H . 25927 1 931 . 1 1 77 77 VAL HA H 1 3.392 0.007 . 1 . . . A 77 VAL HA . 25927 1 932 . 1 1 77 77 VAL HB H 1 1.947 0.006 . 1 . . . A 77 VAL HB . 25927 1 933 . 1 1 77 77 VAL HG11 H 1 0.294 0.008 . 2 . . . A 77 VAL HG11 . 25927 1 934 . 1 1 77 77 VAL HG12 H 1 0.294 0.008 . 2 . . . A 77 VAL HG12 . 25927 1 935 . 1 1 77 77 VAL HG13 H 1 0.294 0.008 . 2 . . . A 77 VAL HG13 . 25927 1 936 . 1 1 77 77 VAL HG21 H 1 0.522 0.006 . 2 . . . A 77 VAL HG21 . 25927 1 937 . 1 1 77 77 VAL HG22 H 1 0.522 0.006 . 2 . . . A 77 VAL HG22 . 25927 1 938 . 1 1 77 77 VAL HG23 H 1 0.522 0.006 . 2 . . . A 77 VAL HG23 . 25927 1 939 . 1 1 77 77 VAL C C 13 177.137 0.010 . 1 . . . A 77 VAL C . 25927 1 940 . 1 1 77 77 VAL CA C 13 67.455 0.016 . 1 . . . A 77 VAL CA . 25927 1 941 . 1 1 77 77 VAL CB C 13 31.573 0.012 . 1 . . . A 77 VAL CB . 25927 1 942 . 1 1 77 77 VAL CG1 C 13 22.561 0.028 . 1 . . . A 77 VAL CG1 . 25927 1 943 . 1 1 77 77 VAL CG2 C 13 20.737 0.013 . 1 . . . A 77 VAL CG2 . 25927 1 944 . 1 1 77 77 VAL N N 15 122.994 0.044 . 1 . . . A 77 VAL N . 25927 1 945 . 1 1 78 78 VAL H H 1 7.745 0.006 . 1 . . . A 78 VAL H . 25927 1 946 . 1 1 78 78 VAL HA H 1 3.548 0.006 . 1 . . . A 78 VAL HA . 25927 1 947 . 1 1 78 78 VAL HB H 1 2.050 0.003 . 1 . . . A 78 VAL HB . 25927 1 948 . 1 1 78 78 VAL HG11 H 1 1.051 0.009 . 2 . . . A 78 VAL HG11 . 25927 1 949 . 1 1 78 78 VAL HG12 H 1 1.051 0.009 . 2 . . . A 78 VAL HG12 . 25927 1 950 . 1 1 78 78 VAL HG13 H 1 1.051 0.009 . 2 . . . A 78 VAL HG13 . 25927 1 951 . 1 1 78 78 VAL HG21 H 1 0.979 0.008 . 2 . . . A 78 VAL HG21 . 25927 1 952 . 1 1 78 78 VAL HG22 H 1 0.979 0.008 . 2 . . . A 78 VAL HG22 . 25927 1 953 . 1 1 78 78 VAL HG23 H 1 0.979 0.008 . 2 . . . A 78 VAL HG23 . 25927 1 954 . 1 1 78 78 VAL C C 13 177.830 0.013 . 1 . . . A 78 VAL C . 25927 1 955 . 1 1 78 78 VAL CA C 13 67.274 0.038 . 1 . . . A 78 VAL CA . 25927 1 956 . 1 1 78 78 VAL CB C 13 31.743 0.040 . 1 . . . A 78 VAL CB . 25927 1 957 . 1 1 78 78 VAL CG1 C 13 23.106 0.000 . 1 . . . A 78 VAL CG1 . 25927 1 958 . 1 1 78 78 VAL CG2 C 13 21.171 0.022 . 1 . . . A 78 VAL CG2 . 25927 1 959 . 1 1 78 78 VAL N N 15 117.994 0.037 . 1 . . . A 78 VAL N . 25927 1 960 . 1 1 79 79 ALA H H 1 7.844 0.006 . 1 . . . A 79 ALA H . 25927 1 961 . 1 1 79 79 ALA HA H 1 4.180 0.015 . 1 . . . A 79 ALA HA . 25927 1 962 . 1 1 79 79 ALA HB1 H 1 1.664 0.010 . 2 . . . A 79 ALA HB1 . 25927 1 963 . 1 1 79 79 ALA HB2 H 1 1.664 0.010 . 2 . . . A 79 ALA HB2 . 25927 1 964 . 1 1 79 79 ALA HB3 H 1 1.664 0.010 . 2 . . . A 79 ALA HB3 . 25927 1 965 . 1 1 79 79 ALA C C 13 176.512 0.000 . 1 . . . A 79 ALA C . 25927 1 966 . 1 1 79 79 ALA CA C 13 55.101 0.039 . 1 . . . A 79 ALA CA . 25927 1 967 . 1 1 79 79 ALA CB C 13 18.170 0.036 . 1 . . . A 79 ALA CB . 25927 1 968 . 1 1 79 79 ALA N N 15 120.460 0.029 . 1 . . . A 79 ALA N . 25927 1 969 . 1 1 80 80 ALA H H 1 8.178 0.005 . 1 . . . A 80 ALA H . 25927 1 970 . 1 1 80 80 ALA HA H 1 2.996 0.007 . 1 . . . A 80 ALA HA . 25927 1 971 . 1 1 80 80 ALA HB1 H 1 1.420 0.004 . 2 . . . A 80 ALA HB1 . 25927 1 972 . 1 1 80 80 ALA HB2 H 1 1.420 0.004 . 2 . . . A 80 ALA HB2 . 25927 1 973 . 1 1 80 80 ALA HB3 H 1 1.420 0.004 . 2 . . . A 80 ALA HB3 . 25927 1 974 . 1 1 80 80 ALA C C 13 180.805 0.010 . 1 . . . A 80 ALA C . 25927 1 975 . 1 1 80 80 ALA CA C 13 54.657 0.022 . 1 . . . A 80 ALA CA . 25927 1 976 . 1 1 80 80 ALA CB C 13 19.358 0.021 . 1 . . . A 80 ALA CB . 25927 1 977 . 1 1 80 80 ALA N N 15 119.351 0.053 . 1 . . . A 80 ALA N . 25927 1 978 . 1 1 81 81 LEU H H 1 8.469 0.005 . 1 . . . A 81 LEU H . 25927 1 979 . 1 1 81 81 LEU HA H 1 3.864 0.006 . 1 . . . A 81 LEU HA . 25927 1 980 . 1 1 81 81 LEU HB2 H 1 1.979 0.008 . 1 . . . A 81 LEU HB2 . 25927 1 981 . 1 1 81 81 LEU HB3 H 1 1.361 0.008 . 1 . . . A 81 LEU HB3 . 25927 1 982 . 1 1 81 81 LEU HG H 1 1.488 0.012 . 1 . . . A 81 LEU HG . 25927 1 983 . 1 1 81 81 LEU HD11 H 1 0.657 0.010 . 2 . . . A 81 LEU HD11 . 25927 1 984 . 1 1 81 81 LEU HD12 H 1 0.657 0.010 . 2 . . . A 81 LEU HD12 . 25927 1 985 . 1 1 81 81 LEU HD13 H 1 0.657 0.010 . 2 . . . A 81 LEU HD13 . 25927 1 986 . 1 1 81 81 LEU HD21 H 1 0.272 0.011 . 2 . . . A 81 LEU HD21 . 25927 1 987 . 1 1 81 81 LEU HD22 H 1 0.272 0.011 . 2 . . . A 81 LEU HD22 . 25927 1 988 . 1 1 81 81 LEU HD23 H 1 0.272 0.011 . 2 . . . A 81 LEU HD23 . 25927 1 989 . 1 1 81 81 LEU C C 13 179.526 0.003 . 1 . . . A 81 LEU C . 25927 1 990 . 1 1 81 81 LEU CA C 13 58.885 0.088 . 1 . . . A 81 LEU CA . 25927 1 991 . 1 1 81 81 LEU CB C 13 42.551 0.017 . 1 . . . A 81 LEU CB . 25927 1 992 . 1 1 81 81 LEU CG C 13 27.434 0.000 . 1 . . . A 81 LEU CG . 25927 1 993 . 1 1 81 81 LEU CD1 C 13 27.454 0.041 . 1 . . . A 81 LEU CD1 . 25927 1 994 . 1 1 81 81 LEU CD2 C 13 23.075 0.006 . 1 . . . A 81 LEU CD2 . 25927 1 995 . 1 1 81 81 LEU N N 15 123.041 0.022 . 1 . . . A 81 LEU N . 25927 1 996 . 1 1 82 82 ILE H H 1 7.988 0.007 . 1 . . . A 82 ILE H . 25927 1 997 . 1 1 82 82 ILE HA H 1 3.827 0.000 . 1 . . . A 82 ILE HA . 25927 1 998 . 1 1 82 82 ILE HB H 1 1.911 0.000 . 1 . . . A 82 ILE HB . 25927 1 999 . 1 1 82 82 ILE HG12 H 1 1.198 0.009 . 2 . . . A 82 ILE HG12 . 25927 1 1000 . 1 1 82 82 ILE HG13 H 1 1.198 0.009 . 2 . . . A 82 ILE HG13 . 25927 1 1001 . 1 1 82 82 ILE HG21 H 1 0.961 0.004 . 2 . . . A 82 ILE HG21 . 25927 1 1002 . 1 1 82 82 ILE HG22 H 1 0.961 0.004 . 2 . . . A 82 ILE HG22 . 25927 1 1003 . 1 1 82 82 ILE HG23 H 1 0.961 0.004 . 2 . . . A 82 ILE HG23 . 25927 1 1004 . 1 1 82 82 ILE HD11 H 1 0.914 0.018 . 2 . . . A 82 ILE HD11 . 25927 1 1005 . 1 1 82 82 ILE HD12 H 1 0.914 0.018 . 2 . . . A 82 ILE HD12 . 25927 1 1006 . 1 1 82 82 ILE HD13 H 1 0.914 0.018 . 2 . . . A 82 ILE HD13 . 25927 1 1007 . 1 1 82 82 ILE C C 13 179.375 0.004 . 1 . . . A 82 ILE C . 25927 1 1008 . 1 1 82 82 ILE CA C 13 64.579 0.038 . 1 . . . A 82 ILE CA . 25927 1 1009 . 1 1 82 82 ILE CB C 13 38.614 0.076 . 1 . . . A 82 ILE CB . 25927 1 1010 . 1 1 82 82 ILE CG1 C 13 28.866 0.076 . 1 . . . A 82 ILE CG1 . 25927 1 1011 . 1 1 82 82 ILE CG2 C 13 17.064 0.034 . 1 . . . A 82 ILE CG2 . 25927 1 1012 . 1 1 82 82 ILE CD1 C 13 16.986 0.056 . 1 . . . A 82 ILE CD1 . 25927 1 1013 . 1 1 82 82 ILE N N 15 119.350 0.050 . 1 . . . A 82 ILE N . 25927 1 1014 . 1 1 83 83 GLN H H 1 8.665 0.007 . 1 . . . A 83 GLN H . 25927 1 1015 . 1 1 83 83 GLN HA H 1 4.193 0.003 . 1 . . . A 83 GLN HA . 25927 1 1016 . 1 1 83 83 GLN HB2 H 1 2.036 0.005 . 1 . . . A 83 GLN HB2 . 25927 1 1017 . 1 1 83 83 GLN HB3 H 1 2.257 0.007 . 1 . . . A 83 GLN HB3 . 25927 1 1018 . 1 1 83 83 GLN HG2 H 1 2.744 0.010 . 1 . . . A 83 GLN HG2 . 25927 1 1019 . 1 1 83 83 GLN HG3 H 1 2.636 0.005 . 1 . . . A 83 GLN HG3 . 25927 1 1020 . 1 1 83 83 GLN HE21 H 1 7.139 0.002 . 1 . . . A 83 GLN HE21 . 25927 1 1021 . 1 1 83 83 GLN HE22 H 1 7.615 0.003 . 1 . . . A 83 GLN HE22 . 25927 1 1022 . 1 1 83 83 GLN C C 13 179.932 0.026 . 1 . . . A 83 GLN C . 25927 1 1023 . 1 1 83 83 GLN CA C 13 59.163 0.019 . 1 . . . A 83 GLN CA . 25927 1 1024 . 1 1 83 83 GLN CB C 13 28.694 0.044 . 1 . . . A 83 GLN CB . 25927 1 1025 . 1 1 83 83 GLN CG C 13 35.311 0.067 . 1 . . . A 83 GLN CG . 25927 1 1026 . 1 1 83 83 GLN N N 15 118.033 0.035 . 1 . . . A 83 GLN N . 25927 1 1027 . 1 1 83 83 GLN NE2 N 15 112.084 0.047 . 1 . . . A 83 GLN NE2 . 25927 1 1028 . 1 1 84 84 THR H H 1 8.355 0.007 . 1 . . . A 84 THR H . 25927 1 1029 . 1 1 84 84 THR HA H 1 3.813 0.006 . 1 . . . A 84 THR HA . 25927 1 1030 . 1 1 84 84 THR HB H 1 4.256 0.005 . 1 . . . A 84 THR HB . 25927 1 1031 . 1 1 84 84 THR HG21 H 1 1.000 0.003 . 2 . . . A 84 THR HG21 . 25927 1 1032 . 1 1 84 84 THR HG22 H 1 1.000 0.003 . 2 . . . A 84 THR HG22 . 25927 1 1033 . 1 1 84 84 THR HG23 H 1 1.000 0.003 . 2 . . . A 84 THR HG23 . 25927 1 1034 . 1 1 84 84 THR C C 13 175.824 0.029 . 1 . . . A 84 THR C . 25927 1 1035 . 1 1 84 84 THR CA C 13 68.515 0.052 . 1 . . . A 84 THR CA . 25927 1 1036 . 1 1 84 84 THR CB C 13 67.514 0.111 . 1 . . . A 84 THR CB . 25927 1 1037 . 1 1 84 84 THR CG2 C 13 22.437 0.000 . 1 . . . A 84 THR CG2 . 25927 1 1038 . 1 1 84 84 THR N N 15 118.583 0.030 . 1 . . . A 84 THR N . 25927 1 1039 . 1 1 85 85 GLU H H 1 7.846 0.007 . 1 . . . A 85 GLU H . 25927 1 1040 . 1 1 85 85 GLU HA H 1 4.173 0.004 . 1 . . . A 85 GLU HA . 25927 1 1041 . 1 1 85 85 GLU HB2 H 1 2.309 0.000 . 1 . . . A 85 GLU HB2 . 25927 1 1042 . 1 1 85 85 GLU HB3 H 1 2.201 0.000 . 1 . . . A 85 GLU HB3 . 25927 1 1043 . 1 1 85 85 GLU HG2 H 1 2.409 0.003 . 1 . . . A 85 GLU HG2 . 25927 1 1044 . 1 1 85 85 GLU HG3 H 1 2.224 0.001 . 1 . . . A 85 GLU HG3 . 25927 1 1045 . 1 1 85 85 GLU C C 13 178.637 0.047 . 1 . . . A 85 GLU C . 25927 1 1046 . 1 1 85 85 GLU CA C 13 60.376 0.085 . 1 . . . A 85 GLU CA . 25927 1 1047 . 1 1 85 85 GLU CB C 13 29.212 0.154 . 1 . . . A 85 GLU CB . 25927 1 1048 . 1 1 85 85 GLU CG C 13 35.351 0.058 . 1 . . . A 85 GLU CG . 25927 1 1049 . 1 1 85 85 GLU N N 15 121.547 0.044 . 1 . . . A 85 GLU N . 25927 1 1050 . 1 1 86 86 GLU H H 1 8.154 0.007 . 1 . . . A 86 GLU H . 25927 1 1051 . 1 1 86 86 GLU HA H 1 4.104 0.000 . 1 . . . A 86 GLU HA . 25927 1 1052 . 1 1 86 86 GLU HB2 H 1 2.218 0.000 . 1 . . . A 86 GLU HB2 . 25927 1 1053 . 1 1 86 86 GLU HB3 H 1 2.105 0.000 . 1 . . . A 86 GLU HB3 . 25927 1 1054 . 1 1 86 86 GLU HG2 H 1 2.528 0.001 . 1 . . . A 86 GLU HG2 . 25927 1 1055 . 1 1 86 86 GLU HG3 H 1 2.329 0.006 . 1 . . . A 86 GLU HG3 . 25927 1 1056 . 1 1 86 86 GLU C C 13 179.080 0.034 . 1 . . . A 86 GLU C . 25927 1 1057 . 1 1 86 86 GLU CA C 13 59.684 0.029 . 1 . . . A 86 GLU CA . 25927 1 1058 . 1 1 86 86 GLU CB C 13 29.558 0.096 . 1 . . . A 86 GLU CB . 25927 1 1059 . 1 1 86 86 GLU CG C 13 36.388 0.019 . 1 . . . A 86 GLU CG . 25927 1 1060 . 1 1 86 86 GLU N N 15 118.203 0.059 . 1 . . . A 86 GLU N . 25927 1 1061 . 1 1 87 87 ALA H H 1 8.181 0.003 . 1 . . . A 87 ALA H . 25927 1 1062 . 1 1 87 87 ALA HA H 1 4.176 0.004 . 1 . . . A 87 ALA HA . 25927 1 1063 . 1 1 87 87 ALA HB1 H 1 1.679 0.002 . 2 . . . A 87 ALA HB1 . 25927 1 1064 . 1 1 87 87 ALA HB2 H 1 1.679 0.002 . 2 . . . A 87 ALA HB2 . 25927 1 1065 . 1 1 87 87 ALA HB3 H 1 1.679 0.002 . 2 . . . A 87 ALA HB3 . 25927 1 1066 . 1 1 87 87 ALA C C 13 181.299 0.000 . 1 . . . A 87 ALA C . 25927 1 1067 . 1 1 87 87 ALA CA C 13 55.216 0.055 . 1 . . . A 87 ALA CA . 25927 1 1068 . 1 1 87 87 ALA CB C 13 19.233 0.041 . 1 . . . A 87 ALA CB . 25927 1 1069 . 1 1 87 87 ALA N N 15 121.242 0.061 . 1 . . . A 87 ALA N . 25927 1 1070 . 1 1 88 88 LEU H H 1 8.379 0.005 . 1 . . . A 88 LEU H . 25927 1 1071 . 1 1 88 88 LEU HA H 1 3.997 0.008 . 1 . . . A 88 LEU HA . 25927 1 1072 . 1 1 88 88 LEU HB2 H 1 1.344 0.006 . 1 . . . A 88 LEU HB2 . 25927 1 1073 . 1 1 88 88 LEU HB3 H 1 1.896 0.005 . 1 . . . A 88 LEU HB3 . 25927 1 1074 . 1 1 88 88 LEU HG H 1 1.774 0.005 . 1 . . . A 88 LEU HG . 25927 1 1075 . 1 1 88 88 LEU HD11 H 1 0.729 0.009 . 2 . . . A 88 LEU HD11 . 25927 1 1076 . 1 1 88 88 LEU HD12 H 1 0.729 0.009 . 2 . . . A 88 LEU HD12 . 25927 1 1077 . 1 1 88 88 LEU HD13 H 1 0.729 0.009 . 2 . . . A 88 LEU HD13 . 25927 1 1078 . 1 1 88 88 LEU HD21 H 1 0.436 0.008 . 2 . . . A 88 LEU HD21 . 25927 1 1079 . 1 1 88 88 LEU HD22 H 1 0.436 0.008 . 2 . . . A 88 LEU HD22 . 25927 1 1080 . 1 1 88 88 LEU HD23 H 1 0.436 0.008 . 2 . . . A 88 LEU HD23 . 25927 1 1081 . 1 1 88 88 LEU C C 13 179.526 0.000 . 1 . . . A 88 LEU C . 25927 1 1082 . 1 1 88 88 LEU CA C 13 57.548 0.026 . 1 . . . A 88 LEU CA . 25927 1 1083 . 1 1 88 88 LEU CB C 13 41.244 0.041 . 1 . . . A 88 LEU CB . 25927 1 1084 . 1 1 88 88 LEU CG C 13 26.591 0.039 . 1 . . . A 88 LEU CG . 25927 1 1085 . 1 1 88 88 LEU CD1 C 13 25.594 0.042 . 1 . . . A 88 LEU CD1 . 25927 1 1086 . 1 1 88 88 LEU CD2 C 13 22.454 0.041 . 1 . . . A 88 LEU CD2 . 25927 1 1087 . 1 1 88 88 LEU N N 15 119.086 0.044 . 1 . . . A 88 LEU N . 25927 1 1088 . 1 1 89 89 ASN H H 1 8.271 0.006 . 1 . . . A 89 ASN H . 25927 1 1089 . 1 1 89 89 ASN HA H 1 4.567 0.004 . 1 . . . A 89 ASN HA . 25927 1 1090 . 1 1 89 89 ASN HB2 H 1 2.868 0.003 . 1 . . . A 89 ASN HB2 . 25927 1 1091 . 1 1 89 89 ASN HB3 H 1 2.987 0.007 . 1 . . . A 89 ASN HB3 . 25927 1 1092 . 1 1 89 89 ASN HD21 H 1 7.647 0.002 . 1 . . . A 89 ASN HD21 . 25927 1 1093 . 1 1 89 89 ASN HD22 H 1 7.022 0.002 . 1 . . . A 89 ASN HD22 . 25927 1 1094 . 1 1 89 89 ASN C C 13 177.117 0.031 . 1 . . . A 89 ASN C . 25927 1 1095 . 1 1 89 89 ASN CA C 13 56.004 0.032 . 1 . . . A 89 ASN CA . 25927 1 1096 . 1 1 89 89 ASN CB C 13 38.349 0.019 . 1 . . . A 89 ASN CB . 25927 1 1097 . 1 1 89 89 ASN N N 15 119.429 0.067 . 1 . . . A 89 ASN N . 25927 1 1098 . 1 1 89 89 ASN ND2 N 15 112.367 0.062 . 1 . . . A 89 ASN ND2 . 25927 1 1099 . 1 1 90 90 ARG H H 1 8.010 0.006 . 1 . . . A 90 ARG H . 25927 1 1100 . 1 1 90 90 ARG HA H 1 4.153 0.005 . 1 . . . A 90 ARG HA . 25927 1 1101 . 1 1 90 90 ARG HB2 H 1 1.967 0.000 . 2 . . . A 90 ARG HB2 . 25927 1 1102 . 1 1 90 90 ARG HB3 H 1 1.967 0.000 . 2 . . . A 90 ARG HB3 . 25927 1 1103 . 1 1 90 90 ARG HG2 H 1 1.767 0.000 . 2 . . . A 90 ARG HG2 . 25927 1 1104 . 1 1 90 90 ARG HG3 H 1 1.767 0.000 . 2 . . . A 90 ARG HG3 . 25927 1 1105 . 1 1 90 90 ARG HD2 H 1 3.260 0.000 . 2 . . . A 90 ARG HD2 . 25927 1 1106 . 1 1 90 90 ARG HD3 H 1 3.260 0.000 . 2 . . . A 90 ARG HD3 . 25927 1 1107 . 1 1 90 90 ARG C C 13 177.836 0.143 . 1 . . . A 90 ARG C . 25927 1 1108 . 1 1 90 90 ARG CA C 13 58.574 0.041 . 1 . . . A 90 ARG CA . 25927 1 1109 . 1 1 90 90 ARG CB C 13 30.230 0.009 . 1 . . . A 90 ARG CB . 25927 1 1110 . 1 1 90 90 ARG CG C 13 27.654 0.000 . 1 . . . A 90 ARG CG . 25927 1 1111 . 1 1 90 90 ARG CD C 13 43.497 0.000 . 1 . . . A 90 ARG CD . 25927 1 1112 . 1 1 90 90 ARG N N 15 118.735 0.065 . 1 . . . A 90 ARG N . 25927 1 1113 . 1 1 91 91 ARG H H 1 7.833 0.010 . 1 . . . A 91 ARG H . 25927 1 1114 . 1 1 91 91 ARG HA H 1 4.209 0.007 . 1 . . . A 91 ARG HA . 25927 1 1115 . 1 1 91 91 ARG HB2 H 1 2.032 0.008 . 2 . . . A 91 ARG HB2 . 25927 1 1116 . 1 1 91 91 ARG HB3 H 1 2.032 0.008 . 2 . . . A 91 ARG HB3 . 25927 1 1117 . 1 1 91 91 ARG HG2 H 1 1.819 0.008 . 1 . . . A 91 ARG HG2 . 25927 1 1118 . 1 1 91 91 ARG HG3 H 1 1.697 0.011 . 1 . . . A 91 ARG HG3 . 25927 1 1119 . 1 1 91 91 ARG HD2 H 1 3.165 0.006 . 1 . . . A 91 ARG HD2 . 25927 1 1120 . 1 1 91 91 ARG HD3 H 1 3.087 0.004 . 1 . . . A 91 ARG HD3 . 25927 1 1121 . 1 1 91 91 ARG C C 13 177.455 0.012 . 1 . . . A 91 ARG C . 25927 1 1122 . 1 1 91 91 ARG CA C 13 58.026 0.077 . 1 . . . A 91 ARG CA . 25927 1 1123 . 1 1 91 91 ARG CB C 13 30.787 0.044 . 1 . . . A 91 ARG CB . 25927 1 1124 . 1 1 91 91 ARG CG C 13 27.995 0.041 . 1 . . . A 91 ARG CG . 25927 1 1125 . 1 1 91 91 ARG CD C 13 43.767 0.010 . 1 . . . A 91 ARG CD . 25927 1 1126 . 1 1 91 91 ARG N N 15 118.976 0.027 . 1 . . . A 91 ARG N . 25927 1 1127 . 1 1 92 92 GLN H H 1 7.988 0.006 . 1 . . . A 92 GLN H . 25927 1 1128 . 1 1 92 92 GLN HA H 1 4.257 0.009 . 1 . . . A 92 GLN HA . 25927 1 1129 . 1 1 92 92 GLN HB2 H 1 2.188 0.016 . 2 . . . A 92 GLN HB2 . 25927 1 1130 . 1 1 92 92 GLN HB3 H 1 2.188 0.016 . 2 . . . A 92 GLN HB3 . 25927 1 1131 . 1 1 92 92 GLN HG2 H 1 2.422 0.008 . 2 . . . A 92 GLN HG2 . 25927 1 1132 . 1 1 92 92 GLN HG3 H 1 2.472 0.014 . 2 . . . A 92 GLN HG3 . 25927 1 1133 . 1 1 92 92 GLN HE21 H 1 7.555 0.001 . 1 . . . A 92 GLN HE21 . 25927 1 1134 . 1 1 92 92 GLN HE22 H 1 6.877 0.003 . 1 . . . A 92 GLN HE22 . 25927 1 1135 . 1 1 92 92 GLN C C 13 177.362 0.000 . 1 . . . A 92 GLN C . 25927 1 1136 . 1 1 92 92 GLN CA C 13 57.488 0.037 . 1 . . . A 92 GLN CA . 25927 1 1137 . 1 1 92 92 GLN CB C 13 29.132 0.078 . 1 . . . A 92 GLN CB . 25927 1 1138 . 1 1 92 92 GLN CG C 13 34.145 0.014 . 1 . . . A 92 GLN CG . 25927 1 1139 . 1 1 92 92 GLN N N 15 118.834 0.063 . 1 . . . A 92 GLN N . 25927 1 1140 . 1 1 92 92 GLN NE2 N 15 112.085 0.051 . 1 . . . A 92 GLN NE2 . 25927 1 1141 . 1 1 93 93 ILE H H 1 7.976 0.005 . 1 . . . A 93 ILE H . 25927 1 1142 . 1 1 93 93 ILE HA H 1 4.016 0.008 . 1 . . . A 93 ILE HA . 25927 1 1143 . 1 1 93 93 ILE HB H 1 1.922 0.006 . 1 . . . A 93 ILE HB . 25927 1 1144 . 1 1 93 93 ILE HG12 H 1 1.222 0.007 . 1 . . . A 93 ILE HG12 . 25927 1 1145 . 1 1 93 93 ILE HG13 H 1 1.592 0.009 . 1 . . . A 93 ILE HG13 . 25927 1 1146 . 1 1 93 93 ILE HG21 H 1 0.939 0.005 . 2 . . . A 93 ILE HG21 . 25927 1 1147 . 1 1 93 93 ILE HG22 H 1 0.939 0.005 . 2 . . . A 93 ILE HG22 . 25927 1 1148 . 1 1 93 93 ILE HG23 H 1 0.939 0.005 . 2 . . . A 93 ILE HG23 . 25927 1 1149 . 1 1 93 93 ILE HD11 H 1 0.861 0.004 . 2 . . . A 93 ILE HD11 . 25927 1 1150 . 1 1 93 93 ILE HD12 H 1 0.861 0.004 . 2 . . . A 93 ILE HD12 . 25927 1 1151 . 1 1 93 93 ILE HD13 H 1 0.861 0.004 . 2 . . . A 93 ILE HD13 . 25927 1 1152 . 1 1 93 93 ILE C C 13 177.002 0.000 . 1 . . . A 93 ILE C . 25927 1 1153 . 1 1 93 93 ILE CA C 13 62.861 0.068 . 1 . . . A 93 ILE CA . 25927 1 1154 . 1 1 93 93 ILE CB C 13 38.568 0.176 . 1 . . . A 93 ILE CB . 25927 1 1155 . 1 1 93 93 ILE CG1 C 13 28.001 0.052 . 1 . . . A 93 ILE CG1 . 25927 1 1156 . 1 1 93 93 ILE CG2 C 13 17.393 0.019 . 1 . . . A 93 ILE CG2 . 25927 1 1157 . 1 1 93 93 ILE CD1 C 13 13.340 0.046 . 1 . . . A 93 ILE CD1 . 25927 1 1158 . 1 1 93 93 ILE N N 15 120.499 0.026 . 1 . . . A 93 ILE N . 25927 1 1159 . 1 1 94 94 ASN H H 1 8.272 0.003 . 1 . . . A 94 ASN H . 25927 1 1160 . 1 1 94 94 ASN HA H 1 4.639 0.008 . 1 . . . A 94 ASN HA . 25927 1 1161 . 1 1 94 94 ASN HB2 H 1 2.887 0.007 . 1 . . . A 94 ASN HB2 . 25927 1 1162 . 1 1 94 94 ASN HB3 H 1 2.818 0.007 . 1 . . . A 94 ASN HB3 . 25927 1 1163 . 1 1 94 94 ASN HD21 H 1 7.643 0.002 . 1 . . . A 94 ASN HD21 . 25927 1 1164 . 1 1 94 94 ASN HD22 H 1 6.937 0.003 . 1 . . . A 94 ASN HD22 . 25927 1 1165 . 1 1 94 94 ASN C C 13 176.336 0.000 . 1 . . . A 94 ASN C . 25927 1 1166 . 1 1 94 94 ASN CA C 13 54.317 0.024 . 1 . . . A 94 ASN CA . 25927 1 1167 . 1 1 94 94 ASN CB C 13 38.600 0.034 . 1 . . . A 94 ASN CB . 25927 1 1168 . 1 1 94 94 ASN N N 15 120.172 0.055 . 1 . . . A 94 ASN N . 25927 1 1169 . 1 1 94 94 ASN ND2 N 15 112.037 0.058 . 1 . . . A 94 ASN ND2 . 25927 1 1170 . 1 1 95 95 GLN H H 1 8.303 0.003 . 1 . . . A 95 GLN H . 25927 1 1171 . 1 1 95 95 GLN HA H 1 4.180 0.003 . 1 . . . A 95 GLN HA . 25927 1 1172 . 1 1 95 95 GLN HB2 H 1 2.095 0.006 . 1 . . . A 95 GLN HB2 . 25927 1 1173 . 1 1 95 95 GLN HB3 H 1 2.162 0.003 . 1 . . . A 95 GLN HB3 . 25927 1 1174 . 1 1 95 95 GLN HG2 H 1 2.477 0.006 . 1 . . . A 95 GLN HG2 . 25927 1 1175 . 1 1 95 95 GLN HG3 H 1 2.424 0.004 . 1 . . . A 95 GLN HG3 . 25927 1 1176 . 1 1 95 95 GLN HE21 H 1 7.464 0.004 . 1 . . . A 95 GLN HE21 . 25927 1 1177 . 1 1 95 95 GLN HE22 H 1 6.963 0.001 . 1 . . . A 95 GLN HE22 . 25927 1 1178 . 1 1 95 95 GLN C C 13 176.701 0.000 . 1 . . . A 95 GLN C . 25927 1 1179 . 1 1 95 95 GLN CA C 13 57.179 0.055 . 1 . . . A 95 GLN CA . 25927 1 1180 . 1 1 95 95 GLN CB C 13 28.996 0.066 . 1 . . . A 95 GLN CB . 25927 1 1181 . 1 1 95 95 GLN CG C 13 33.946 0.007 . 1 . . . A 95 GLN CG . 25927 1 1182 . 1 1 95 95 GLN N N 15 120.288 0.039 . 1 . . . A 95 GLN N . 25927 1 1183 . 1 1 95 95 GLN NE2 N 15 111.679 0.036 . 1 . . . A 95 GLN NE2 . 25927 1 1184 . 1 1 96 96 ALA H H 1 8.112 0.005 . 1 . . . A 96 ALA H . 25927 1 1185 . 1 1 96 96 ALA HA H 1 4.261 0.018 . 1 . . . A 96 ALA HA . 25927 1 1186 . 1 1 96 96 ALA HB1 H 1 1.443 0.005 . 2 . . . A 96 ALA HB1 . 25927 1 1187 . 1 1 96 96 ALA HB2 H 1 1.443 0.005 . 2 . . . A 96 ALA HB2 . 25927 1 1188 . 1 1 96 96 ALA HB3 H 1 1.443 0.005 . 2 . . . A 96 ALA HB3 . 25927 1 1189 . 1 1 96 96 ALA C C 13 178.429 0.000 . 1 . . . A 96 ALA C . 25927 1 1190 . 1 1 96 96 ALA CA C 13 53.432 0.041 . 1 . . . A 96 ALA CA . 25927 1 1191 . 1 1 96 96 ALA CB C 13 18.773 0.091 . 1 . . . A 96 ALA CB . 25927 1 1192 . 1 1 96 96 ALA N N 15 123.219 0.057 . 1 . . . A 96 ALA N . 25927 1 1193 . 1 1 97 97 LEU H H 1 7.932 0.008 . 1 . . . A 97 LEU H . 25927 1 1194 . 1 1 97 97 LEU HA H 1 4.301 0.007 . 1 . . . A 97 LEU HA . 25927 1 1195 . 1 1 97 97 LEU HB2 H 1 1.733 0.010 . 1 . . . A 97 LEU HB2 . 25927 1 1196 . 1 1 97 97 LEU HB3 H 1 1.616 0.005 . 1 . . . A 97 LEU HB3 . 25927 1 1197 . 1 1 97 97 LEU HG H 1 1.675 0.007 . 1 . . . A 97 LEU HG . 25927 1 1198 . 1 1 97 97 LEU HD11 H 1 0.922 0.008 . 2 . . . A 97 LEU HD11 . 25927 1 1199 . 1 1 97 97 LEU HD12 H 1 0.922 0.008 . 2 . . . A 97 LEU HD12 . 25927 1 1200 . 1 1 97 97 LEU HD13 H 1 0.922 0.008 . 2 . . . A 97 LEU HD13 . 25927 1 1201 . 1 1 97 97 LEU HD21 H 1 0.876 0.012 . 2 . . . A 97 LEU HD21 . 25927 1 1202 . 1 1 97 97 LEU HD22 H 1 0.876 0.012 . 2 . . . A 97 LEU HD22 . 25927 1 1203 . 1 1 97 97 LEU HD23 H 1 0.876 0.012 . 2 . . . A 97 LEU HD23 . 25927 1 1204 . 1 1 97 97 LEU C C 13 177.834 0.000 . 1 . . . A 97 LEU C . 25927 1 1205 . 1 1 97 97 LEU CA C 13 55.746 0.065 . 1 . . . A 97 LEU CA . 25927 1 1206 . 1 1 97 97 LEU CB C 13 42.290 0.099 . 1 . . . A 97 LEU CB . 25927 1 1207 . 1 1 97 97 LEU CG C 13 26.853 0.008 . 1 . . . A 97 LEU CG . 25927 1 1208 . 1 1 97 97 LEU CD1 C 13 24.935 0.009 . 1 . . . A 97 LEU CD1 . 25927 1 1209 . 1 1 97 97 LEU CD2 C 13 23.408 0.021 . 1 . . . A 97 LEU CD2 . 25927 1 1210 . 1 1 97 97 LEU N N 15 119.452 0.026 . 1 . . . A 97 LEU N . 25927 1 1211 . 1 1 98 98 LEU H H 1 7.947 0.007 . 1 . . . A 98 LEU H . 25927 1 1212 . 1 1 98 98 LEU HA H 1 4.377 0.006 . 1 . . . A 98 LEU HA . 25927 1 1213 . 1 1 98 98 LEU HB2 H 1 1.725 0.006 . 1 . . . A 98 LEU HB2 . 25927 1 1214 . 1 1 98 98 LEU HB3 H 1 1.550 0.003 . 1 . . . A 98 LEU HB3 . 25927 1 1215 . 1 1 98 98 LEU HG H 1 1.648 0.005 . 1 . . . A 98 LEU HG . 25927 1 1216 . 1 1 98 98 LEU HD11 H 1 0.916 0.009 . 2 . . . A 98 LEU HD11 . 25927 1 1217 . 1 1 98 98 LEU HD12 H 1 0.916 0.009 . 2 . . . A 98 LEU HD12 . 25927 1 1218 . 1 1 98 98 LEU HD13 H 1 0.916 0.009 . 2 . . . A 98 LEU HD13 . 25927 1 1219 . 1 1 98 98 LEU HD21 H 1 0.845 0.013 . 2 . . . A 98 LEU HD21 . 25927 1 1220 . 1 1 98 98 LEU HD22 H 1 0.845 0.013 . 2 . . . A 98 LEU HD22 . 25927 1 1221 . 1 1 98 98 LEU HD23 H 1 0.845 0.013 . 2 . . . A 98 LEU HD23 . 25927 1 1222 . 1 1 98 98 LEU C C 13 177.729 0.000 . 1 . . . A 98 LEU C . 25927 1 1223 . 1 1 98 98 LEU CA C 13 55.426 0.062 . 1 . . . A 98 LEU CA . 25927 1 1224 . 1 1 98 98 LEU CB C 13 42.406 0.023 . 1 . . . A 98 LEU CB . 25927 1 1225 . 1 1 98 98 LEU CG C 13 26.818 0.004 . 1 . . . A 98 LEU CG . 25927 1 1226 . 1 1 98 98 LEU CD1 C 13 25.012 0.048 . 1 . . . A 98 LEU CD1 . 25927 1 1227 . 1 1 98 98 LEU CD2 C 13 23.323 0.034 . 1 . . . A 98 LEU CD2 . 25927 1 1228 . 1 1 98 98 LEU N N 15 121.124 0.025 . 1 . . . A 98 LEU N . 25927 1 1229 . 1 1 99 99 SER H H 1 8.238 0.004 . 1 . . . A 99 SER H . 25927 1 1230 . 1 1 99 99 SER HA H 1 4.525 0.008 . 1 . . . A 99 SER HA . 25927 1 1231 . 1 1 99 99 SER HB2 H 1 3.948 0.004 . 1 . . . A 99 SER HB2 . 25927 1 1232 . 1 1 99 99 SER HB3 H 1 3.910 0.009 . 1 . . . A 99 SER HB3 . 25927 1 1233 . 1 1 99 99 SER C C 13 174.980 0.053 . 1 . . . A 99 SER C . 25927 1 1234 . 1 1 99 99 SER CA C 13 58.478 0.033 . 1 . . . A 99 SER CA . 25927 1 1235 . 1 1 99 99 SER CB C 13 63.839 0.020 . 1 . . . A 99 SER CB . 25927 1 1236 . 1 1 99 99 SER N N 15 115.913 0.033 . 1 . . . A 99 SER N . 25927 1 1237 . 1 1 100 100 THR H H 1 8.140 0.002 . 1 . . . A 100 THR H . 25927 1 1238 . 1 1 100 100 THR HA H 1 4.361 0.001 . 1 . . . A 100 THR HA . 25927 1 1239 . 1 1 100 100 THR HB H 1 4.303 0.009 . 1 . . . A 100 THR HB . 25927 1 1240 . 1 1 100 100 THR HG21 H 1 1.207 0.012 . 2 . . . A 100 THR HG21 . 25927 1 1241 . 1 1 100 100 THR HG22 H 1 1.207 0.012 . 2 . . . A 100 THR HG22 . 25927 1 1242 . 1 1 100 100 THR HG23 H 1 1.207 0.012 . 2 . . . A 100 THR HG23 . 25927 1 1243 . 1 1 100 100 THR C C 13 175.368 0.000 . 1 . . . A 100 THR C . 25927 1 1244 . 1 1 100 100 THR CA C 13 62.195 0.054 . 1 . . . A 100 THR CA . 25927 1 1245 . 1 1 100 100 THR CB C 13 69.794 0.044 . 1 . . . A 100 THR CB . 25927 1 1246 . 1 1 100 100 THR CG2 C 13 21.556 0.043 . 1 . . . A 100 THR CG2 . 25927 1 1247 . 1 1 100 100 THR N N 15 114.610 0.043 . 1 . . . A 100 THR N . 25927 1 1248 . 1 1 101 101 GLY H H 1 8.353 0.007 . 1 . . . A 101 GLY H . 25927 1 1249 . 1 1 101 101 GLY HA2 H 1 4.009 0.005 . 1 . . . A 101 GLY HA2 . 25927 1 1250 . 1 1 101 101 GLY HA3 H 1 3.933 0.008 . 1 . . . A 101 GLY HA3 . 25927 1 1251 . 1 1 101 101 GLY C C 13 173.935 0.000 . 1 . . . A 101 GLY C . 25927 1 1252 . 1 1 101 101 GLY CA C 13 45.493 0.028 . 1 . . . A 101 GLY CA . 25927 1 1253 . 1 1 101 101 GLY N N 15 110.650 0.040 . 1 . . . A 101 GLY N . 25927 1 1254 . 1 1 102 102 ASP H H 1 8.204 0.005 . 1 . . . A 102 ASP H . 25927 1 1255 . 1 1 102 102 ASP HA H 1 4.603 0.008 . 1 . . . A 102 ASP HA . 25927 1 1256 . 1 1 102 102 ASP HB2 H 1 2.715 0.003 . 1 . . . A 102 ASP HB2 . 25927 1 1257 . 1 1 102 102 ASP HB3 H 1 2.601 0.010 . 1 . . . A 102 ASP HB3 . 25927 1 1258 . 1 1 102 102 ASP C C 13 176.419 0.000 . 1 . . . A 102 ASP C . 25927 1 1259 . 1 1 102 102 ASP CA C 13 54.291 0.162 . 1 . . . A 102 ASP CA . 25927 1 1260 . 1 1 102 102 ASP CB C 13 41.277 0.013 . 1 . . . A 102 ASP CB . 25927 1 1261 . 1 1 102 102 ASP N N 15 120.512 0.032 . 1 . . . A 102 ASP N . 25927 1 1262 . 1 1 103 103 LEU H H 1 8.170 0.003 . 1 . . . A 103 LEU H . 25927 1 1263 . 1 1 103 103 LEU HA H 1 4.258 0.008 . 1 . . . A 103 LEU HA . 25927 1 1264 . 1 1 103 103 LEU HB2 H 1 1.612 0.009 . 1 . . . A 103 LEU HB2 . 25927 1 1265 . 1 1 103 103 LEU HB3 H 1 1.550 0.007 . 1 . . . A 103 LEU HB3 . 25927 1 1266 . 1 1 103 103 LEU HG H 1 1.663 0.019 . 1 . . . A 103 LEU HG . 25927 1 1267 . 1 1 103 103 LEU HD11 H 1 0.903 0.008 . 2 . . . A 103 LEU HD11 . 25927 1 1268 . 1 1 103 103 LEU HD12 H 1 0.903 0.008 . 2 . . . A 103 LEU HD12 . 25927 1 1269 . 1 1 103 103 LEU HD13 H 1 0.903 0.008 . 2 . . . A 103 LEU HD13 . 25927 1 1270 . 1 1 103 103 LEU HD21 H 1 0.846 0.016 . 2 . . . A 103 LEU HD21 . 25927 1 1271 . 1 1 103 103 LEU HD22 H 1 0.846 0.016 . 2 . . . A 103 LEU HD22 . 25927 1 1272 . 1 1 103 103 LEU HD23 H 1 0.846 0.016 . 2 . . . A 103 LEU HD23 . 25927 1 1273 . 1 1 103 103 LEU C C 13 177.394 0.000 . 1 . . . A 103 LEU C . 25927 1 1274 . 1 1 103 103 LEU CA C 13 55.528 0.028 . 1 . . . A 103 LEU CA . 25927 1 1275 . 1 1 103 103 LEU CB C 13 42.228 0.013 . 1 . . . A 103 LEU CB . 25927 1 1276 . 1 1 103 103 LEU CG C 13 26.710 0.000 . 1 . . . A 103 LEU CG . 25927 1 1277 . 1 1 103 103 LEU CD1 C 13 24.902 0.000 . 1 . . . A 103 LEU CD1 . 25927 1 1278 . 1 1 103 103 LEU CD2 C 13 23.501 0.000 . 1 . . . A 103 LEU CD2 . 25927 1 1279 . 1 1 103 103 LEU N N 15 122.331 0.028 . 1 . . . A 103 LEU N . 25927 1 1280 . 1 1 104 104 ALA H H 1 8.150 0.001 . 1 . . . A 104 ALA H . 25927 1 1281 . 1 1 104 104 ALA HA H 1 4.200 0.001 . 1 . . . A 104 ALA HA . 25927 1 1282 . 1 1 104 104 ALA HB1 H 1 1.302 0.003 . 2 . . . A 104 ALA HB1 . 25927 1 1283 . 1 1 104 104 ALA HB2 H 1 1.302 0.003 . 2 . . . A 104 ALA HB2 . 25927 1 1284 . 1 1 104 104 ALA HB3 H 1 1.302 0.003 . 2 . . . A 104 ALA HB3 . 25927 1 1285 . 1 1 104 104 ALA C C 13 177.730 0.015 . 1 . . . A 104 ALA C . 25927 1 1286 . 1 1 104 104 ALA CA C 13 52.774 0.019 . 1 . . . A 104 ALA CA . 25927 1 1287 . 1 1 104 104 ALA CB C 13 19.005 0.017 . 1 . . . A 104 ALA CB . 25927 1 1288 . 1 1 104 104 ALA N N 15 123.139 0.047 . 1 . . . A 104 ALA N . 25927 1 1289 . 1 1 105 105 HIS H H 1 8.239 0.004 . 1 . . . A 105 HIS H . 25927 1 1290 . 1 1 105 105 HIS HA H 1 4.641 0.002 . 1 . . . A 105 HIS HA . 25927 1 1291 . 1 1 105 105 HIS HB2 H 1 3.255 0.013 . 1 . . . A 105 HIS HB2 . 25927 1 1292 . 1 1 105 105 HIS HB3 H 1 3.130 0.010 . 1 . . . A 105 HIS HB3 . 25927 1 1293 . 1 1 105 105 HIS C C 13 174.414 0.046 . 1 . . . A 105 HIS C . 25927 1 1294 . 1 1 105 105 HIS CA C 13 55.520 0.143 . 1 . . . A 105 HIS CA . 25927 1 1295 . 1 1 105 105 HIS CB C 13 29.278 0.032 . 1 . . . A 105 HIS CB . 25927 1 1296 . 1 1 105 105 HIS N N 15 117.105 0.020 . 1 . . . A 105 HIS N . 25927 1 1297 . 1 1 106 106 ASP H H 1 8.298 0.002 . 1 . . . A 106 ASP H . 25927 1 1298 . 1 1 106 106 ASP HA H 1 4.603 0.000 . 1 . . . A 106 ASP HA . 25927 1 1299 . 1 1 106 106 ASP HB2 H 1 2.720 0.004 . 1 . . . A 106 ASP HB2 . 25927 1 1300 . 1 1 106 106 ASP HB3 H 1 2.632 0.015 . 1 . . . A 106 ASP HB3 . 25927 1 1301 . 1 1 106 106 ASP C C 13 176.370 0.021 . 1 . . . A 106 ASP C . 25927 1 1302 . 1 1 106 106 ASP CA C 13 54.319 0.020 . 1 . . . A 106 ASP CA . 25927 1 1303 . 1 1 106 106 ASP CB C 13 41.414 0.011 . 1 . . . A 106 ASP CB . 25927 1 1304 . 1 1 106 106 ASP N N 15 121.315 0.048 . 1 . . . A 106 ASP N . 25927 1 1305 . 1 1 107 107 GLU H H 1 8.536 0.006 . 1 . . . A 107 GLU H . 25927 1 1306 . 1 1 107 107 GLU HA H 1 4.108 0.003 . 1 . . . A 107 GLU HA . 25927 1 1307 . 1 1 107 107 GLU HB2 H 1 1.865 0.008 . 1 . . . A 107 GLU HB2 . 25927 1 1308 . 1 1 107 107 GLU HB3 H 1 1.792 0.004 . 1 . . . A 107 GLU HB3 . 25927 1 1309 . 1 1 107 107 GLU HG2 H 1 2.082 0.002 . 1 . . . A 107 GLU HG2 . 25927 1 1310 . 1 1 107 107 GLU HG3 H 1 1.994 0.005 . 1 . . . A 107 GLU HG3 . 25927 1 1311 . 1 1 107 107 GLU C C 13 176.248 0.000 . 1 . . . A 107 GLU C . 25927 1 1312 . 1 1 107 107 GLU CA C 13 57.192 0.019 . 1 . . . A 107 GLU CA . 25927 1 1313 . 1 1 107 107 GLU CB C 13 30.095 0.177 . 1 . . . A 107 GLU CB . 25927 1 1314 . 1 1 107 107 GLU CG C 13 35.982 0.013 . 1 . . . A 107 GLU CG . 25927 1 1315 . 1 1 107 107 GLU N N 15 121.228 0.039 . 1 . . . A 107 GLU N . 25927 1 1316 . 1 1 108 108 PHE H H 1 8.171 0.005 . 1 . . . A 108 PHE H . 25927 1 1317 . 1 1 108 108 PHE HA H 1 4.493 0.007 . 1 . . . A 108 PHE HA . 25927 1 1318 . 1 1 108 108 PHE HB2 H 1 2.994 0.004 . 1 . . . A 108 PHE HB2 . 25927 1 1319 . 1 1 108 108 PHE HB3 H 1 2.880 0.008 . 1 . . . A 108 PHE HB3 . 25927 1 1320 . 1 1 108 108 PHE HD1 H 1 7.108 0.003 . 3 . . . A 108 PHE HD1 . 25927 1 1321 . 1 1 108 108 PHE HD2 H 1 7.108 0.003 . 3 . . . A 108 PHE HD2 . 25927 1 1322 . 1 1 108 108 PHE HE1 H 1 7.257 0.005 . 3 . . . A 108 PHE HE1 . 25927 1 1323 . 1 1 108 108 PHE HE2 H 1 7.257 0.005 . 3 . . . A 108 PHE HE2 . 25927 1 1324 . 1 1 108 108 PHE HZ H 1 7.211 0.008 . 1 . . . A 108 PHE HZ . 25927 1 1325 . 1 1 108 108 PHE C C 13 175.822 0.000 . 1 . . . A 108 PHE C . 25927 1 1326 . 1 1 108 108 PHE CA C 13 58.148 0.010 . 1 . . . A 108 PHE CA . 25927 1 1327 . 1 1 108 108 PHE CB C 13 39.229 0.041 . 1 . . . A 108 PHE CB . 25927 1 1328 . 1 1 108 108 PHE CD1 C 13 131.653 0.051 . 3 . . . A 108 PHE CD1 . 25927 1 1329 . 1 1 108 108 PHE CD2 C 13 131.653 0.046 . 3 . . . A 108 PHE CD2 . 25927 1 1330 . 1 1 108 108 PHE CE1 C 13 131.567 0.086 . 3 . . . A 108 PHE CE1 . 25927 1 1331 . 1 1 108 108 PHE CE2 C 13 131.567 0.086 . 3 . . . A 108 PHE CE2 . 25927 1 1332 . 1 1 108 108 PHE CZ C 13 129.822 0.097 . 1 . . . A 108 PHE CZ . 25927 1 1333 . 1 1 108 108 PHE N N 15 119.420 0.059 . 1 . . . A 108 PHE N . 25927 1 stop_ save_