data_15039 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15039 _Entry.Title ; solution structure of ta0956 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-20 _Entry.Accession_date 2006-11-20 _Entry.Last_release_date 2007-10-16 _Entry.Original_release_date 2007-10-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bon-Kyung Koo N. . . 15039 2 Jinwon Jung . . . 15039 3 Hyunseob Jung . . . 15039 4 'Hyung Wook' Nam . . . 15039 5 'Yu Sam' Kim . . . 15039 6 Adelinda Yee . . . 15039 7 Cheryl Arrowsmith . H. . 15039 8 Weontae Lee . . . 15039 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 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15039 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Hypothetical Protein' . 15039 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15039 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 15039 '15N chemical shifts' 110 15039 '1H chemical shifts' 695 15039 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-10-16 2006-11-20 original author . 15039 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JMK 'BMRB Entry Tracking System' 15039 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15039 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17634985 _Citation.Full_citation . _Citation.Title 'Solution structure of the hypothetical novel-fold protein TA0956 from Thermoplasma acidophilum' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 69 _Citation.Journal_issue 2 _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 444 _Citation.Page_last 447 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 Bon-Kyung Koo N. . . 15039 1 2 Jinwon Jung . . . 15039 1 3 Hyunseob Jung . . . 15039 1 4 'Hyung Wook' Nam . . . 15039 1 5 'Yu Sam' Kim . . . 15039 1 6 Adelinda Yee . . . 15039 1 7 Weontae Lee . . . 15039 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15039 _Assembly.ID 1 _Assembly.Name Chain_1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 TA0956 1 $ta0956 A . yes native no no . . . 15039 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ta0956 _Entity.Sf_category entity _Entity.Sf_framecode ta0956 _Entity.Entry_ID 15039 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ta0956 _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 ; MTLCAMYNISMAGSHPTTIC VVMDRFLESFSELYDIIDEN DTDVMMDFISRFARTDEIMP EDKTVGFVVVNADKKLMSVS FSDIDENMKKVIKATAEKFK NKGFKVETDM ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12574.589 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 no BMRB 15688 . TA0956 . . . . . 100.00 110 100.00 100.00 8.43e-72 . . . . 15039 1 2 no PDB 2JMK . "Solution Structure Of Ta0956" . . . . . 100.00 111 100.00 100.00 9.18e-72 . . . . 15039 1 3 no PDB 2K24 . "Automated Nmr Structure Of The Ta0956 By Fapsy" . . . . . 100.00 110 100.00 100.00 8.43e-72 . . . . 15039 1 4 no EMBL CAC12085 . "hypothetical protein [Thermoplasma acidophilum]" . . . . . 100.00 110 100.00 100.00 8.43e-72 . . . . 15039 1 5 no REF WP_010901367 . "hypothetical protein [Thermoplasma acidophilum]" . . . . . 100.00 110 100.00 100.00 8.43e-72 . . . . 15039 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15039 1 2 . THR . 15039 1 3 . LEU . 15039 1 4 . CYS . 15039 1 5 . ALA . 15039 1 6 . MET . 15039 1 7 . TYR . 15039 1 8 . ASN . 15039 1 9 . ILE . 15039 1 10 . SER . 15039 1 11 . MET . 15039 1 12 . ALA . 15039 1 13 . GLY . 15039 1 14 . SER . 15039 1 15 . HIS . 15039 1 16 . PRO . 15039 1 17 . THR . 15039 1 18 . THR . 15039 1 19 . ILE . 15039 1 20 . CYS . 15039 1 21 . VAL . 15039 1 22 . VAL . 15039 1 23 . MET . 15039 1 24 . ASP . 15039 1 25 . ARG . 15039 1 26 . PHE . 15039 1 27 . LEU . 15039 1 28 . GLU . 15039 1 29 . SER . 15039 1 30 . PHE . 15039 1 31 . SER . 15039 1 32 . GLU . 15039 1 33 . LEU . 15039 1 34 . TYR . 15039 1 35 . ASP . 15039 1 36 . ILE . 15039 1 37 . ILE . 15039 1 38 . ASP . 15039 1 39 . GLU . 15039 1 40 . ASN . 15039 1 41 . ASP . 15039 1 42 . THR . 15039 1 43 . ASP . 15039 1 44 . VAL . 15039 1 45 . MET . 15039 1 46 . MET . 15039 1 47 . ASP . 15039 1 48 . PHE . 15039 1 49 . ILE . 15039 1 50 . SER . 15039 1 51 . ARG . 15039 1 52 . PHE . 15039 1 53 . ALA . 15039 1 54 . ARG . 15039 1 55 . THR . 15039 1 56 . ASP . 15039 1 57 . GLU . 15039 1 58 . ILE . 15039 1 59 . MET . 15039 1 60 . PRO . 15039 1 61 . GLU . 15039 1 62 . ASP . 15039 1 63 . LYS . 15039 1 64 . THR . 15039 1 65 . VAL . 15039 1 66 . GLY . 15039 1 67 . PHE . 15039 1 68 . VAL . 15039 1 69 . VAL . 15039 1 70 . VAL . 15039 1 71 . ASN . 15039 1 72 . ALA . 15039 1 73 . ASP . 15039 1 74 . LYS . 15039 1 75 . LYS . 15039 1 76 . LEU . 15039 1 77 . MET . 15039 1 78 . SER . 15039 1 79 . VAL . 15039 1 80 . SER . 15039 1 81 . PHE . 15039 1 82 . SER . 15039 1 83 . ASP . 15039 1 84 . ILE . 15039 1 85 . ASP . 15039 1 86 . GLU . 15039 1 87 . ASN . 15039 1 88 . MET . 15039 1 89 . LYS . 15039 1 90 . LYS . 15039 1 91 . VAL . 15039 1 92 . ILE . 15039 1 93 . LYS . 15039 1 94 . ALA . 15039 1 95 . THR . 15039 1 96 . ALA . 15039 1 97 . GLU . 15039 1 98 . LYS . 15039 1 99 . PHE . 15039 1 100 . LYS . 15039 1 101 . ASN . 15039 1 102 . LYS . 15039 1 103 . GLY . 15039 1 104 . PHE . 15039 1 105 . LYS . 15039 1 106 . VAL . 15039 1 107 . GLU . 15039 1 108 . THR . 15039 1 109 . ASP . 15039 1 110 . MET . 15039 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15039 1 . THR 2 2 15039 1 . LEU 3 3 15039 1 . CYS 4 4 15039 1 . ALA 5 5 15039 1 . MET 6 6 15039 1 . TYR 7 7 15039 1 . ASN 8 8 15039 1 . ILE 9 9 15039 1 . SER 10 10 15039 1 . MET 11 11 15039 1 . ALA 12 12 15039 1 . GLY 13 13 15039 1 . SER 14 14 15039 1 . HIS 15 15 15039 1 . PRO 16 16 15039 1 . THR 17 17 15039 1 . THR 18 18 15039 1 . ILE 19 19 15039 1 . CYS 20 20 15039 1 . VAL 21 21 15039 1 . VAL 22 22 15039 1 . MET 23 23 15039 1 . ASP 24 24 15039 1 . ARG 25 25 15039 1 . PHE 26 26 15039 1 . LEU 27 27 15039 1 . GLU 28 28 15039 1 . SER 29 29 15039 1 . PHE 30 30 15039 1 . SER 31 31 15039 1 . GLU 32 32 15039 1 . LEU 33 33 15039 1 . TYR 34 34 15039 1 . ASP 35 35 15039 1 . ILE 36 36 15039 1 . ILE 37 37 15039 1 . ASP 38 38 15039 1 . GLU 39 39 15039 1 . ASN 40 40 15039 1 . ASP 41 41 15039 1 . THR 42 42 15039 1 . ASP 43 43 15039 1 . VAL 44 44 15039 1 . MET 45 45 15039 1 . MET 46 46 15039 1 . ASP 47 47 15039 1 . PHE 48 48 15039 1 . ILE 49 49 15039 1 . SER 50 50 15039 1 . ARG 51 51 15039 1 . PHE 52 52 15039 1 . ALA 53 53 15039 1 . ARG 54 54 15039 1 . THR 55 55 15039 1 . ASP 56 56 15039 1 . GLU 57 57 15039 1 . ILE 58 58 15039 1 . MET 59 59 15039 1 . PRO 60 60 15039 1 . GLU 61 61 15039 1 . ASP 62 62 15039 1 . LYS 63 63 15039 1 . THR 64 64 15039 1 . VAL 65 65 15039 1 . GLY 66 66 15039 1 . PHE 67 67 15039 1 . VAL 68 68 15039 1 . VAL 69 69 15039 1 . VAL 70 70 15039 1 . ASN 71 71 15039 1 . ALA 72 72 15039 1 . ASP 73 73 15039 1 . LYS 74 74 15039 1 . LYS 75 75 15039 1 . LEU 76 76 15039 1 . MET 77 77 15039 1 . SER 78 78 15039 1 . VAL 79 79 15039 1 . SER 80 80 15039 1 . PHE 81 81 15039 1 . SER 82 82 15039 1 . ASP 83 83 15039 1 . ILE 84 84 15039 1 . ASP 85 85 15039 1 . GLU 86 86 15039 1 . ASN 87 87 15039 1 . MET 88 88 15039 1 . LYS 89 89 15039 1 . LYS 90 90 15039 1 . VAL 91 91 15039 1 . ILE 92 92 15039 1 . LYS 93 93 15039 1 . ALA 94 94 15039 1 . THR 95 95 15039 1 . ALA 96 96 15039 1 . GLU 97 97 15039 1 . LYS 98 98 15039 1 . PHE 99 99 15039 1 . LYS 100 100 15039 1 . ASN 101 101 15039 1 . LYS 102 102 15039 1 . GLY 103 103 15039 1 . PHE 104 104 15039 1 . LYS 105 105 15039 1 . VAL 106 106 15039 1 . GLU 107 107 15039 1 . THR 108 108 15039 1 . ASP 109 109 15039 1 . MET 110 110 15039 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 15039 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ta0956 . 2303 organism . 'Thermoplasma acidophilum' 'Thermoplasma acidophilum' . . Archaea . Thermoplasma acidophilum . . . . . . . . . . . . . . . . ta0956 . . . . 15039 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 15039 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ta0956 . 'recombinant technology' 'Escherichia coli' . . . . . BL21 (DE3) . . . . . . . . . . . . . . pET15b . . . . . . 15039 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15039 _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 ta0956 '[U-98% 13C; U-98% 15N]' . . 1 $ta0956 . . 1.5 . . mM . . . . 15039 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15039 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15039 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15039 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . w/v . . . . 15039 1 6 DSS 'natural abundance' . . . . . . 0.01 . . w/v . . . . 15039 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15039 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ta0956 '[U-98% 13C; U-98% 15N]' . . 1 $ta0956 . . 1.5 . . mM . . . . 15039 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15039 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15039 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15039 2 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . w/v . . . . 15039 2 6 DSS 'natural abundance' . . . . . . 0.01 . . w/v . . . . 15039 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 15039 _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' 100 . mM 15039 1 pH 6.5 . pH 15039 1 pressure 1 . atm 15039 1 temperature 298 . K 15039 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15039 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 15039 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15039 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15039 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15039 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15039 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15039 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15039 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15039 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15039 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15039 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15039 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 15039 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15039 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 15039 _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 DRX . 500 . . . 15039 1 2 spectrometer_2 Bruker AMX . 800 . . . 15039 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 15039 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15039 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15039 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15039 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15039 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15039 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15039 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15039 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15039 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15039 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 15039 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 15039 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 15039 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 15039 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 15039 _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 4 '3D CBCA(CO)NH' . . . 15039 1 5 '3D HNCACB' . . . 15039 1 6 '3D HNCO' . . . 15039 1 7 '3D HNCA' . . . 15039 1 8 '3D HCCH-TOCSY' . . . 15039 1 9 '3D 1H-13C NOESY' . . . 15039 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 4 $SPARKY . . 15039 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 MET H H 1 8.219 0.020 . 1 . . . . 1 MET H . 15039 1 2 . 1 1 1 1 MET HA H 1 4.361 0.020 . 1 . . . . 1 MET HA . 15039 1 3 . 1 1 1 1 MET HB2 H 1 1.902 0.020 . 1 . . . . 1 MET HB2 . 15039 1 4 . 1 1 1 1 MET HB3 H 1 1.902 0.020 . 1 . . . . 1 MET HB3 . 15039 1 5 . 1 1 1 1 MET HG2 H 1 2.483 0.020 . 2 . . . . 1 MET HG2 . 15039 1 6 . 1 1 1 1 MET HG3 H 1 2.233 0.020 . 2 . . . . 1 MET HG3 . 15039 1 7 . 1 1 1 1 MET HE1 H 1 1.999 0.020 . 1 . . . . 1 MET HE . 15039 1 8 . 1 1 1 1 MET HE2 H 1 1.999 0.020 . 1 . . . . 1 MET HE . 15039 1 9 . 1 1 1 1 MET HE3 H 1 1.999 0.020 . 1 . . . . 1 MET HE . 15039 1 10 . 1 1 1 1 MET CA C 13 55.607 0.400 . 1 . . . . 1 MET CA . 15039 1 11 . 1 1 1 1 MET CB C 13 34.046 0.400 . 1 . . . . 1 MET CB . 15039 1 12 . 1 1 1 1 MET CE C 13 16.925 0.400 . 1 . . . . 1 MET CE . 15039 1 13 . 1 1 1 1 MET N N 15 122.766 0.400 . 1 . . . . 1 MET N . 15039 1 14 . 1 1 2 2 THR H H 1 8.643 0.020 . 1 . . . . 2 THR H . 15039 1 15 . 1 1 2 2 THR HA H 1 4.293 0.020 . 1 . . . . 2 THR HA . 15039 1 16 . 1 1 2 2 THR HB H 1 3.718 0.020 . 1 . . . . 2 THR HB . 15039 1 17 . 1 1 2 2 THR HG21 H 1 1.120 0.020 . 1 . . . . 2 THR HG2 . 15039 1 18 . 1 1 2 2 THR HG22 H 1 1.120 0.020 . 1 . . . . 2 THR HG2 . 15039 1 19 . 1 1 2 2 THR HG23 H 1 1.120 0.020 . 1 . . . . 2 THR HG2 . 15039 1 20 . 1 1 2 2 THR CA C 13 62.732 0.400 . 1 . . . . 2 THR CA . 15039 1 21 . 1 1 2 2 THR CB C 13 69.704 0.400 . 1 . . . . 2 THR CB . 15039 1 22 . 1 1 2 2 THR CG2 C 13 21.913 0.400 . 1 . . . . 2 THR CG2 . 15039 1 23 . 1 1 2 2 THR N N 15 123.156 0.400 . 1 . . . . 2 THR N . 15039 1 24 . 1 1 3 3 LEU H H 1 8.640 0.020 . 1 . . . . 3 LEU H . 15039 1 25 . 1 1 3 3 LEU HA H 1 5.141 0.020 . 1 . . . . 3 LEU HA . 15039 1 26 . 1 1 3 3 LEU HB2 H 1 1.753 0.020 . 2 . . . . 3 LEU HB2 . 15039 1 27 . 1 1 3 3 LEU HB3 H 1 1.287 0.020 . 2 . . . . 3 LEU HB3 . 15039 1 28 . 1 1 3 3 LEU HG H 1 1.662 0.020 . 1 . . . . 3 LEU HG . 15039 1 29 . 1 1 3 3 LEU HD11 H 1 0.920 0.020 . 2 . . . . 3 LEU HD1 . 15039 1 30 . 1 1 3 3 LEU HD12 H 1 0.920 0.020 . 2 . . . . 3 LEU HD1 . 15039 1 31 . 1 1 3 3 LEU HD13 H 1 0.920 0.020 . 2 . . . . 3 LEU HD1 . 15039 1 32 . 1 1 3 3 LEU HD21 H 1 0.847 0.020 . 2 . . . . 3 LEU HD2 . 15039 1 33 . 1 1 3 3 LEU HD22 H 1 0.847 0.020 . 2 . . . . 3 LEU HD2 . 15039 1 34 . 1 1 3 3 LEU HD23 H 1 0.847 0.020 . 2 . . . . 3 LEU HD2 . 15039 1 35 . 1 1 3 3 LEU CA C 13 53.762 0.400 . 1 . . . . 3 LEU CA . 15039 1 36 . 1 1 3 3 LEU CB C 13 42.526 0.400 . 1 . . . . 3 LEU CB . 15039 1 37 . 1 1 3 3 LEU CG C 13 27.519 0.400 . 1 . . . . 3 LEU CG . 15039 1 38 . 1 1 3 3 LEU CD1 C 13 24.977 0.400 . 1 . . . . 3 LEU CD1 . 15039 1 39 . 1 1 3 3 LEU CD2 C 13 23.930 0.400 . 1 . . . . 3 LEU CD2 . 15039 1 40 . 1 1 3 3 LEU N N 15 126.903 0.400 . 1 . . . . 3 LEU N . 15039 1 41 . 1 1 4 4 CYS H H 1 8.873 0.020 . 1 . . . . 4 CYS H . 15039 1 42 . 1 1 4 4 CYS HA H 1 5.097 0.020 . 1 . . . . 4 CYS HA . 15039 1 43 . 1 1 4 4 CYS HB2 H 1 2.651 0.020 . 2 . . . . 4 CYS HB2 . 15039 1 44 . 1 1 4 4 CYS HB3 H 1 2.471 0.020 . 2 . . . . 4 CYS HB3 . 15039 1 45 . 1 1 4 4 CYS CA C 13 57.132 0.400 . 1 . . . . 4 CYS CA . 15039 1 46 . 1 1 4 4 CYS CB C 13 32.817 0.400 . 1 . . . . 4 CYS CB . 15039 1 47 . 1 1 4 4 CYS N N 15 117.991 0.400 . 1 . . . . 4 CYS N . 15039 1 48 . 1 1 5 5 ALA H H 1 9.304 0.020 . 1 . . . . 5 ALA H . 15039 1 49 . 1 1 5 5 ALA HA H 1 4.515 0.020 . 1 . . . . 5 ALA HA . 15039 1 50 . 1 1 5 5 ALA HB1 H 1 0.643 0.020 . 1 . . . . 5 ALA HB . 15039 1 51 . 1 1 5 5 ALA HB2 H 1 0.643 0.020 . 1 . . . . 5 ALA HB . 15039 1 52 . 1 1 5 5 ALA HB3 H 1 0.643 0.020 . 1 . . . . 5 ALA HB . 15039 1 53 . 1 1 5 5 ALA CA C 13 49.942 0.400 . 1 . . . . 5 ALA CA . 15039 1 54 . 1 1 5 5 ALA CB C 13 22.745 0.400 . 1 . . . . 5 ALA CB . 15039 1 55 . 1 1 5 5 ALA N N 15 123.288 0.400 . 1 . . . . 5 ALA N . 15039 1 56 . 1 1 6 6 MET H H 1 7.817 0.020 . 1 . . . . 6 MET H . 15039 1 57 . 1 1 6 6 MET HA H 1 5.352 0.020 . 1 . . . . 6 MET HA . 15039 1 58 . 1 1 6 6 MET HB2 H 1 1.674 0.020 . 2 . . . . 6 MET HB2 . 15039 1 59 . 1 1 6 6 MET HB3 H 1 1.799 0.020 . 2 . . . . 6 MET HB3 . 15039 1 60 . 1 1 6 6 MET HG2 H 1 2.434 0.020 . 2 . . . . 6 MET HG2 . 15039 1 61 . 1 1 6 6 MET HG3 H 1 2.267 0.020 . 2 . . . . 6 MET HG3 . 15039 1 62 . 1 1 6 6 MET HE1 H 1 1.982 0.020 . 1 . . . . 6 MET HE . 15039 1 63 . 1 1 6 6 MET HE2 H 1 1.982 0.020 . 1 . . . . 6 MET HE . 15039 1 64 . 1 1 6 6 MET HE3 H 1 1.982 0.020 . 1 . . . . 6 MET HE . 15039 1 65 . 1 1 6 6 MET CA C 13 53.083 0.400 . 1 . . . . 6 MET CA . 15039 1 66 . 1 1 6 6 MET CB C 13 34.901 0.400 . 1 . . . . 6 MET CB . 15039 1 67 . 1 1 6 6 MET CG C 13 32.150 0.400 . 1 . . . . 6 MET CG . 15039 1 68 . 1 1 6 6 MET CE C 13 16.904 0.400 . 1 . . . . 6 MET CE . 15039 1 69 . 1 1 6 6 MET N N 15 118.156 0.400 . 1 . . . . 6 MET N . 15039 1 70 . 1 1 7 7 TYR H H 1 9.320 0.020 . 1 . . . . 7 TYR H . 15039 1 71 . 1 1 7 7 TYR HA H 1 5.417 0.020 . 1 . . . . 7 TYR HA . 15039 1 72 . 1 1 7 7 TYR HB2 H 1 2.956 0.020 . 2 . . . . 7 TYR HB2 . 15039 1 73 . 1 1 7 7 TYR HB3 H 1 2.757 0.020 . 2 . . . . 7 TYR HB3 . 15039 1 74 . 1 1 7 7 TYR HD1 H 1 6.841 0.020 . 1 . . . . 7 TYR HD1 . 15039 1 75 . 1 1 7 7 TYR HD2 H 1 6.841 0.020 . 1 . . . . 7 TYR HD2 . 15039 1 76 . 1 1 7 7 TYR HE1 H 1 6.582 0.020 . 1 . . . . 7 TYR HE1 . 15039 1 77 . 1 1 7 7 TYR HE2 H 1 6.582 0.020 . 1 . . . . 7 TYR HE2 . 15039 1 78 . 1 1 7 7 TYR CA C 13 57.344 0.400 . 1 . . . . 7 TYR CA . 15039 1 79 . 1 1 7 7 TYR CB C 13 41.963 0.400 . 1 . . . . 7 TYR CB . 15039 1 80 . 1 1 7 7 TYR N N 15 121.587 0.400 . 1 . . . . 7 TYR N . 15039 1 81 . 1 1 8 8 ASN H H 1 9.039 0.020 . 1 . . . . 8 ASN H . 15039 1 82 . 1 1 8 8 ASN HA H 1 5.326 0.020 . 1 . . . . 8 ASN HA . 15039 1 83 . 1 1 8 8 ASN HB2 H 1 2.818 0.020 . 2 . . . . 8 ASN HB2 . 15039 1 84 . 1 1 8 8 ASN HB3 H 1 2.666 0.020 . 2 . . . . 8 ASN HB3 . 15039 1 85 . 1 1 8 8 ASN CA C 13 53.119 0.400 . 1 . . . . 8 ASN CA . 15039 1 86 . 1 1 8 8 ASN CB C 13 41.128 0.400 . 1 . . . . 8 ASN CB . 15039 1 87 . 1 1 8 8 ASN N N 15 120.587 0.400 . 1 . . . . 8 ASN N . 15039 1 88 . 1 1 9 9 ILE H H 1 9.168 0.020 . 1 . . . . 9 ILE H . 15039 1 89 . 1 1 9 9 ILE HA H 1 4.869 0.020 . 1 . . . . 9 ILE HA . 15039 1 90 . 1 1 9 9 ILE HB H 1 1.607 0.020 . 1 . . . . 9 ILE HB . 15039 1 91 . 1 1 9 9 ILE HG12 H 1 0.790 0.020 . 1 . . . . 9 ILE HG12 . 15039 1 92 . 1 1 9 9 ILE HG13 H 1 0.790 0.020 . 1 . . . . 9 ILE HG13 . 15039 1 93 . 1 1 9 9 ILE HG21 H 1 0.744 0.020 . 1 . . . . 9 ILE HG2 . 15039 1 94 . 1 1 9 9 ILE HG22 H 1 0.744 0.020 . 1 . . . . 9 ILE HG2 . 15039 1 95 . 1 1 9 9 ILE HG23 H 1 0.744 0.020 . 1 . . . . 9 ILE HG2 . 15039 1 96 . 1 1 9 9 ILE HD11 H 1 0.517 0.020 . 1 . . . . 9 ILE HD1 . 15039 1 97 . 1 1 9 9 ILE HD12 H 1 0.517 0.020 . 1 . . . . 9 ILE HD1 . 15039 1 98 . 1 1 9 9 ILE HD13 H 1 0.517 0.020 . 1 . . . . 9 ILE HD1 . 15039 1 99 . 1 1 9 9 ILE CA C 13 60.275 0.400 . 1 . . . . 9 ILE CA . 15039 1 100 . 1 1 9 9 ILE CB C 13 41.851 0.400 . 1 . . . . 9 ILE CB . 15039 1 101 . 1 1 9 9 ILE CG2 C 13 16.971 0.400 . 1 . . . . 9 ILE CG2 . 15039 1 102 . 1 1 9 9 ILE CD1 C 13 13.977 0.400 . 1 . . . . 9 ILE CD1 . 15039 1 103 . 1 1 9 9 ILE N N 15 124.016 0.400 . 1 . . . . 9 ILE N . 15039 1 104 . 1 1 10 10 SER H H 1 8.496 0.020 . 1 . . . . 10 SER H . 15039 1 105 . 1 1 10 10 SER HA H 1 5.524 0.020 . 1 . . . . 10 SER HA . 15039 1 106 . 1 1 10 10 SER HB2 H 1 3.613 0.020 . 1 . . . . 10 SER HB2 . 15039 1 107 . 1 1 10 10 SER HB3 H 1 3.613 0.020 . 1 . . . . 10 SER HB3 . 15039 1 108 . 1 1 10 10 SER CA C 13 57.104 0.400 . 1 . . . . 10 SER CA . 15039 1 109 . 1 1 10 10 SER CB C 13 64.632 0.400 . 1 . . . . 10 SER CB . 15039 1 110 . 1 1 10 10 SER N N 15 123.101 0.400 . 1 . . . . 10 SER N . 15039 1 111 . 1 1 11 11 MET H H 1 8.444 0.020 . 1 . . . . 11 MET H . 15039 1 112 . 1 1 11 11 MET HA H 1 4.546 0.020 . 1 . . . . 11 MET HA . 15039 1 113 . 1 1 11 11 MET HB2 H 1 2.046 0.020 . 2 . . . . 11 MET HB2 . 15039 1 114 . 1 1 11 11 MET HB3 H 1 1.907 0.020 . 2 . . . . 11 MET HB3 . 15039 1 115 . 1 1 11 11 MET HG2 H 1 2.367 0.020 . 1 . . . . 11 MET HG2 . 15039 1 116 . 1 1 11 11 MET HG3 H 1 2.367 0.020 . 1 . . . . 11 MET HG3 . 15039 1 117 . 1 1 11 11 MET HE1 H 1 1.955 0.020 . 1 . . . . 11 MET HE . 15039 1 118 . 1 1 11 11 MET HE2 H 1 1.955 0.020 . 1 . . . . 11 MET HE . 15039 1 119 . 1 1 11 11 MET HE3 H 1 1.955 0.020 . 1 . . . . 11 MET HE . 15039 1 120 . 1 1 11 11 MET CA C 13 54.935 0.400 . 1 . . . . 11 MET CA . 15039 1 121 . 1 1 11 11 MET CB C 13 34.721 0.400 . 1 . . . . 11 MET CB . 15039 1 122 . 1 1 11 11 MET CG C 13 32.021 0.400 . 1 . . . . 11 MET CG . 15039 1 123 . 1 1 11 11 MET N N 15 123.682 0.400 . 1 . . . . 11 MET N . 15039 1 124 . 1 1 12 12 ALA H H 1 9.079 0.020 . 1 . . . . 12 ALA H . 15039 1 125 . 1 1 12 12 ALA HA H 1 4.087 0.020 . 1 . . . . 12 ALA HA . 15039 1 126 . 1 1 12 12 ALA HB1 H 1 1.265 0.020 . 1 . . . . 12 ALA HB . 15039 1 127 . 1 1 12 12 ALA HB2 H 1 1.265 0.020 . 1 . . . . 12 ALA HB . 15039 1 128 . 1 1 12 12 ALA HB3 H 1 1.265 0.020 . 1 . . . . 12 ALA HB . 15039 1 129 . 1 1 12 12 ALA CA C 13 53.270 0.400 . 1 . . . . 12 ALA CA . 15039 1 130 . 1 1 12 12 ALA CB C 13 17.589 0.400 . 1 . . . . 12 ALA CB . 15039 1 131 . 1 1 12 12 ALA N N 15 125.371 0.400 . 1 . . . . 12 ALA N . 15039 1 132 . 1 1 13 13 GLY H H 1 9.062 0.020 . 1 . . . . 13 GLY H . 15039 1 133 . 1 1 13 13 GLY HA2 H 1 3.696 0.020 . 2 . . . . 13 GLY HA2 . 15039 1 134 . 1 1 13 13 GLY HA3 H 1 3.992 0.020 . 2 . . . . 13 GLY HA3 . 15039 1 135 . 1 1 13 13 GLY CA C 13 45.613 0.400 . 1 . . . . 13 GLY CA . 15039 1 136 . 1 1 13 13 GLY N N 15 109.210 0.400 . 1 . . . . 13 GLY N . 15039 1 137 . 1 1 14 14 SER H H 1 7.891 0.020 . 1 . . . . 14 SER H . 15039 1 138 . 1 1 14 14 SER HA H 1 4.492 0.020 . 1 . . . . 14 SER HA . 15039 1 139 . 1 1 14 14 SER HB2 H 1 3.865 0.020 . 1 . . . . 14 SER HB2 . 15039 1 140 . 1 1 14 14 SER HB3 H 1 3.865 0.020 . 1 . . . . 14 SER HB3 . 15039 1 141 . 1 1 14 14 SER CA C 13 57.585 0.400 . 1 . . . . 14 SER CA . 15039 1 142 . 1 1 14 14 SER CB C 13 64.964 0.400 . 1 . . . . 14 SER CB . 15039 1 143 . 1 1 14 14 SER N N 15 114.980 0.400 . 1 . . . . 14 SER N . 15039 1 144 . 1 1 15 15 HIS H H 1 8.461 0.020 . 1 . . . . 15 HIS H . 15039 1 145 . 1 1 15 15 HIS HA H 1 4.894 0.020 . 1 . . . . 15 HIS HA . 15039 1 146 . 1 1 15 15 HIS HB2 H 1 3.178 0.020 . 2 . . . . 15 HIS HB2 . 15039 1 147 . 1 1 15 15 HIS HB3 H 1 3.082 0.020 . 2 . . . . 15 HIS HB3 . 15039 1 148 . 1 1 15 15 HIS CA C 13 54.372 0.400 . 1 . . . . 15 HIS CA . 15039 1 149 . 1 1 15 15 HIS CB C 13 28.481 0.400 . 1 . . . . 15 HIS CB . 15039 1 150 . 1 1 15 15 HIS N N 15 120.549 0.400 . 1 . . . . 15 HIS N . 15039 1 151 . 1 1 16 16 PRO HA H 1 4.539 0.020 . 1 . . . . 16 PRO HA . 15039 1 152 . 1 1 16 16 PRO HB2 H 1 2.237 0.020 . 2 . . . . 16 PRO HB2 . 15039 1 153 . 1 1 16 16 PRO HB3 H 1 2.211 0.020 . 2 . . . . 16 PRO HB3 . 15039 1 154 . 1 1 16 16 PRO HG2 H 1 1.916 0.020 . 2 . . . . 16 PRO HG2 . 15039 1 155 . 1 1 16 16 PRO HG3 H 1 2.019 0.020 . 2 . . . . 16 PRO HG3 . 15039 1 156 . 1 1 16 16 PRO HD2 H 1 3.861 0.020 . 2 . . . . 16 PRO HD2 . 15039 1 157 . 1 1 16 16 PRO HD3 H 1 3.466 0.020 . 2 . . . . 16 PRO HD3 . 15039 1 158 . 1 1 16 16 PRO CA C 13 63.915 0.400 . 1 . . . . 16 PRO CA . 15039 1 159 . 1 1 16 16 PRO CB C 13 32.035 0.400 . 1 . . . . 16 PRO CB . 15039 1 160 . 1 1 16 16 PRO CG C 13 27.713 0.400 . 1 . . . . 16 PRO CG . 15039 1 161 . 1 1 16 16 PRO CD C 13 50.687 0.400 . 1 . . . . 16 PRO CD . 15039 1 162 . 1 1 17 17 THR H H 1 8.855 0.020 . 1 . . . . 17 THR H . 15039 1 163 . 1 1 17 17 THR HA H 1 4.550 0.020 . 1 . . . . 17 THR HA . 15039 1 164 . 1 1 17 17 THR HB H 1 3.978 0.020 . 1 . . . . 17 THR HB . 15039 1 165 . 1 1 17 17 THR HG21 H 1 1.158 0.020 . 1 . . . . 17 THR HG2 . 15039 1 166 . 1 1 17 17 THR HG22 H 1 1.158 0.020 . 1 . . . . 17 THR HG2 . 15039 1 167 . 1 1 17 17 THR HG23 H 1 1.158 0.020 . 1 . . . . 17 THR HG2 . 15039 1 168 . 1 1 17 17 THR CA C 13 62.152 0.400 . 1 . . . . 17 THR CA . 15039 1 169 . 1 1 17 17 THR CB C 13 71.293 0.400 . 1 . . . . 17 THR CB . 15039 1 170 . 1 1 17 17 THR CG2 C 13 20.766 0.400 . 1 . . . . 17 THR CG2 . 15039 1 171 . 1 1 17 17 THR N N 15 121.561 0.400 . 1 . . . . 17 THR N . 15039 1 172 . 1 1 18 18 THR H H 1 8.578 0.020 . 1 . . . . 18 THR H . 15039 1 173 . 1 1 18 18 THR HA H 1 5.619 0.020 . 1 . . . . 18 THR HA . 15039 1 174 . 1 1 18 18 THR HB H 1 4.034 0.020 . 1 . . . . 18 THR HB . 15039 1 175 . 1 1 18 18 THR HG21 H 1 1.187 0.020 . 1 . . . . 18 THR HG2 . 15039 1 176 . 1 1 18 18 THR HG22 H 1 1.187 0.020 . 1 . . . . 18 THR HG2 . 15039 1 177 . 1 1 18 18 THR HG23 H 1 1.187 0.020 . 1 . . . . 18 THR HG2 . 15039 1 178 . 1 1 18 18 THR CA C 13 60.670 0.400 . 1 . . . . 18 THR CA . 15039 1 179 . 1 1 18 18 THR CB C 13 70.398 0.400 . 1 . . . . 18 THR CB . 15039 1 180 . 1 1 18 18 THR CG2 C 13 21.800 0.400 . 1 . . . . 18 THR CG2 . 15039 1 181 . 1 1 18 18 THR N N 15 122.541 0.400 . 1 . . . . 18 THR N . 15039 1 182 . 1 1 19 19 ILE H H 1 8.736 0.020 . 1 . . . . 19 ILE H . 15039 1 183 . 1 1 19 19 ILE HA H 1 4.547 0.020 . 1 . . . . 19 ILE HA . 15039 1 184 . 1 1 19 19 ILE HB H 1 1.889 0.020 . 1 . . . . 19 ILE HB . 15039 1 185 . 1 1 19 19 ILE HG12 H 1 1.565 0.020 . 2 . . . . 19 ILE HG12 . 15039 1 186 . 1 1 19 19 ILE HG13 H 1 1.041 0.020 . 2 . . . . 19 ILE HG13 . 15039 1 187 . 1 1 19 19 ILE HG21 H 1 0.949 0.020 . 1 . . . . 19 ILE HG2 . 15039 1 188 . 1 1 19 19 ILE HG22 H 1 0.949 0.020 . 1 . . . . 19 ILE HG2 . 15039 1 189 . 1 1 19 19 ILE HG23 H 1 0.949 0.020 . 1 . . . . 19 ILE HG2 . 15039 1 190 . 1 1 19 19 ILE HD11 H 1 0.759 0.020 . 1 . . . . 19 ILE HD1 . 15039 1 191 . 1 1 19 19 ILE HD12 H 1 0.759 0.020 . 1 . . . . 19 ILE HD1 . 15039 1 192 . 1 1 19 19 ILE HD13 H 1 0.759 0.020 . 1 . . . . 19 ILE HD1 . 15039 1 193 . 1 1 19 19 ILE CA C 13 60.158 0.400 . 1 . . . . 19 ILE CA . 15039 1 194 . 1 1 19 19 ILE CB C 13 42.929 0.400 . 1 . . . . 19 ILE CB . 15039 1 195 . 1 1 19 19 ILE CG2 C 13 18.414 0.400 . 1 . . . . 19 ILE CG2 . 15039 1 196 . 1 1 19 19 ILE CD1 C 13 15.135 0.400 . 1 . . . . 19 ILE CD1 . 15039 1 197 . 1 1 19 19 ILE N N 15 121.684 0.400 . 1 . . . . 19 ILE N . 15039 1 198 . 1 1 20 20 CYS H H 1 9.134 0.020 . 1 . . . . 20 CYS H . 15039 1 199 . 1 1 20 20 CYS HA H 1 5.253 0.020 . 1 . . . . 20 CYS HA . 15039 1 200 . 1 1 20 20 CYS HB2 H 1 2.799 0.020 . 1 . . . . 20 CYS HB2 . 15039 1 201 . 1 1 20 20 CYS HB3 H 1 2.799 0.020 . 1 . . . . 20 CYS HB3 . 15039 1 202 . 1 1 20 20 CYS CA C 13 57.737 0.400 . 1 . . . . 20 CYS CA . 15039 1 203 . 1 1 20 20 CYS CB C 13 45.752 0.400 . 1 . . . . 20 CYS CB . 15039 1 204 . 1 1 20 20 CYS N N 15 127.038 0.400 . 1 . . . . 20 CYS N . 15039 1 205 . 1 1 21 21 VAL H H 1 9.179 0.020 . 1 . . . . 21 VAL H . 15039 1 206 . 1 1 21 21 VAL HA H 1 4.789 0.020 . 1 . . . . 21 VAL HA . 15039 1 207 . 1 1 21 21 VAL HB H 1 1.941 0.020 . 1 . . . . 21 VAL HB . 15039 1 208 . 1 1 21 21 VAL HG11 H 1 1.200 0.020 . 2 . . . . 21 VAL HG1 . 15039 1 209 . 1 1 21 21 VAL HG12 H 1 1.200 0.020 . 2 . . . . 21 VAL HG1 . 15039 1 210 . 1 1 21 21 VAL HG13 H 1 1.200 0.020 . 2 . . . . 21 VAL HG1 . 15039 1 211 . 1 1 21 21 VAL HG21 H 1 1.040 0.020 . 2 . . . . 21 VAL HG2 . 15039 1 212 . 1 1 21 21 VAL HG22 H 1 1.040 0.020 . 2 . . . . 21 VAL HG2 . 15039 1 213 . 1 1 21 21 VAL HG23 H 1 1.040 0.020 . 2 . . . . 21 VAL HG2 . 15039 1 214 . 1 1 21 21 VAL CA C 13 60.052 0.400 . 1 . . . . 21 VAL CA . 15039 1 215 . 1 1 21 21 VAL CB C 13 36.241 0.400 . 1 . . . . 21 VAL CB . 15039 1 216 . 1 1 21 21 VAL CG1 C 13 20.001 0.400 . 1 . . . . 21 VAL CG1 . 15039 1 217 . 1 1 21 21 VAL CG2 C 13 21.570 0.400 . 1 . . . . 21 VAL CG2 . 15039 1 218 . 1 1 21 21 VAL N N 15 126.959 0.400 . 1 . . . . 21 VAL N . 15039 1 219 . 1 1 22 22 VAL H H 1 9.301 0.020 . 1 . . . . 22 VAL H . 15039 1 220 . 1 1 22 22 VAL HA H 1 4.422 0.020 . 1 . . . . 22 VAL HA . 15039 1 221 . 1 1 22 22 VAL HB H 1 2.482 0.020 . 1 . . . . 22 VAL HB . 15039 1 222 . 1 1 22 22 VAL HG11 H 1 1.114 0.020 . 2 . . . . 22 VAL HG1 . 15039 1 223 . 1 1 22 22 VAL HG12 H 1 1.114 0.020 . 2 . . . . 22 VAL HG1 . 15039 1 224 . 1 1 22 22 VAL HG13 H 1 1.114 0.020 . 2 . . . . 22 VAL HG1 . 15039 1 225 . 1 1 22 22 VAL HG21 H 1 1.089 0.020 . 2 . . . . 22 VAL HG2 . 15039 1 226 . 1 1 22 22 VAL HG22 H 1 1.089 0.020 . 2 . . . . 22 VAL HG2 . 15039 1 227 . 1 1 22 22 VAL HG23 H 1 1.089 0.020 . 2 . . . . 22 VAL HG2 . 15039 1 228 . 1 1 22 22 VAL CA C 13 62.781 0.400 . 1 . . . . 22 VAL CA . 15039 1 229 . 1 1 22 22 VAL CB C 13 31.651 0.400 . 1 . . . . 22 VAL CB . 15039 1 230 . 1 1 22 22 VAL CG1 C 13 22.442 0.400 . 1 . . . . 22 VAL CG1 . 15039 1 231 . 1 1 22 22 VAL CG2 C 13 20.008 0.400 . 1 . . . . 22 VAL CG2 . 15039 1 232 . 1 1 22 22 VAL N N 15 122.679 0.400 . 1 . . . . 22 VAL N . 15039 1 233 . 1 1 23 23 MET H H 1 8.936 0.020 . 1 . . . . 23 MET H . 15039 1 234 . 1 1 23 23 MET CA C 13 56.500 0.400 . 1 . . . . 23 MET CA . 15039 1 235 . 1 1 23 23 MET CB C 13 29.752 0.400 . 1 . . . . 23 MET CB . 15039 1 236 . 1 1 23 23 MET N N 15 122.724 0.400 . 1 . . . . 23 MET N . 15039 1 237 . 1 1 24 24 ASP H H 1 8.583 0.020 . 1 . . . . 24 ASP H . 15039 1 238 . 1 1 24 24 ASP HA H 1 4.479 0.020 . 1 . . . . 24 ASP HA . 15039 1 239 . 1 1 24 24 ASP HB2 H 1 2.738 0.020 . 2 . . . . 24 ASP HB2 . 15039 1 240 . 1 1 24 24 ASP HB3 H 1 2.599 0.020 . 2 . . . . 24 ASP HB3 . 15039 1 241 . 1 1 24 24 ASP CA C 13 56.713 0.400 . 1 . . . . 24 ASP CA . 15039 1 242 . 1 1 24 24 ASP CB C 13 40.510 0.400 . 1 . . . . 24 ASP CB . 15039 1 243 . 1 1 24 24 ASP N N 15 117.655 0.400 . 1 . . . . 24 ASP N . 15039 1 244 . 1 1 25 25 ARG H H 1 7.915 0.020 . 1 . . . . 25 ARG H . 15039 1 245 . 1 1 25 25 ARG HA H 1 4.941 0.020 . 1 . . . . 25 ARG HA . 15039 1 246 . 1 1 25 25 ARG HB2 H 1 1.805 0.020 . 2 . . . . 25 ARG HB2 . 15039 1 247 . 1 1 25 25 ARG HB3 H 1 2.386 0.020 . 2 . . . . 25 ARG HB3 . 15039 1 248 . 1 1 25 25 ARG HG2 H 1 1.621 0.020 . 1 . . . . 25 ARG HG2 . 15039 1 249 . 1 1 25 25 ARG HG3 H 1 1.621 0.020 . 1 . . . . 25 ARG HG3 . 15039 1 250 . 1 1 25 25 ARG HD2 H 1 3.325 0.020 . 2 . . . . 25 ARG HD2 . 15039 1 251 . 1 1 25 25 ARG HD3 H 1 3.231 0.020 . 2 . . . . 25 ARG HD3 . 15039 1 252 . 1 1 25 25 ARG CA C 13 54.996 0.400 . 1 . . . . 25 ARG CA . 15039 1 253 . 1 1 25 25 ARG CB C 13 31.117 0.400 . 1 . . . . 25 ARG CB . 15039 1 254 . 1 1 25 25 ARG N N 15 115.474 0.400 . 1 . . . . 25 ARG N . 15039 1 255 . 1 1 26 26 PHE H H 1 7.919 0.020 . 1 . . . . 26 PHE H . 15039 1 256 . 1 1 26 26 PHE HA H 1 3.873 0.020 . 1 . . . . 26 PHE HA . 15039 1 257 . 1 1 26 26 PHE HB2 H 1 2.877 0.020 . 2 . . . . 26 PHE HB2 . 15039 1 258 . 1 1 26 26 PHE HB3 H 1 3.300 0.020 . 2 . . . . 26 PHE HB3 . 15039 1 259 . 1 1 26 26 PHE HD1 H 1 6.594 0.020 . 1 . . . . 26 PHE HD1 . 15039 1 260 . 1 1 26 26 PHE HD2 H 1 6.594 0.020 . 1 . . . . 26 PHE HD2 . 15039 1 261 . 1 1 26 26 PHE CA C 13 62.605 0.400 . 1 . . . . 26 PHE CA . 15039 1 262 . 1 1 26 26 PHE CB C 13 40.168 0.400 . 1 . . . . 26 PHE CB . 15039 1 263 . 1 1 26 26 PHE N N 15 120.467 0.400 . 1 . . . . 26 PHE N . 15039 1 264 . 1 1 27 27 LEU H H 1 9.251 0.020 . 1 . . . . 27 LEU H . 15039 1 265 . 1 1 27 27 LEU HA H 1 3.610 0.020 . 1 . . . . 27 LEU HA . 15039 1 266 . 1 1 27 27 LEU HB2 H 1 1.698 0.020 . 2 . . . . 27 LEU HB2 . 15039 1 267 . 1 1 27 27 LEU HB3 H 1 1.468 0.020 . 2 . . . . 27 LEU HB3 . 15039 1 268 . 1 1 27 27 LEU HG H 1 1.787 0.020 . 1 . . . . 27 LEU HG . 15039 1 269 . 1 1 27 27 LEU HD11 H 1 0.859 0.020 . 2 . . . . 27 LEU HD1 . 15039 1 270 . 1 1 27 27 LEU HD12 H 1 0.859 0.020 . 2 . . . . 27 LEU HD1 . 15039 1 271 . 1 1 27 27 LEU HD13 H 1 0.859 0.020 . 2 . . . . 27 LEU HD1 . 15039 1 272 . 1 1 27 27 LEU HD21 H 1 0.923 0.020 . 2 . . . . 27 LEU HD2 . 15039 1 273 . 1 1 27 27 LEU HD22 H 1 0.923 0.020 . 2 . . . . 27 LEU HD2 . 15039 1 274 . 1 1 27 27 LEU HD23 H 1 0.923 0.020 . 2 . . . . 27 LEU HD2 . 15039 1 275 . 1 1 27 27 LEU CA C 13 58.812 0.400 . 1 . . . . 27 LEU CA . 15039 1 276 . 1 1 27 27 LEU CB C 13 40.198 0.400 . 1 . . . . 27 LEU CB . 15039 1 277 . 1 1 27 27 LEU CG C 13 27.212 0.400 . 1 . . . . 27 LEU CG . 15039 1 278 . 1 1 27 27 LEU CD1 C 13 23.440 0.400 . 1 . . . . 27 LEU CD1 . 15039 1 279 . 1 1 27 27 LEU CD2 C 13 24.992 0.400 . 1 . . . . 27 LEU CD2 . 15039 1 280 . 1 1 27 27 LEU N N 15 122.213 0.400 . 1 . . . . 27 LEU N . 15039 1 281 . 1 1 28 28 GLU H H 1 8.495 0.020 . 1 . . . . 28 GLU H . 15039 1 282 . 1 1 28 28 GLU HA H 1 3.917 0.020 . 1 . . . . 28 GLU HA . 15039 1 283 . 1 1 28 28 GLU HB2 H 1 2.071 0.020 . 1 . . . . 28 GLU HB2 . 15039 1 284 . 1 1 28 28 GLU HB3 H 1 2.071 0.020 . 1 . . . . 28 GLU HB3 . 15039 1 285 . 1 1 28 28 GLU HG2 H 1 2.408 0.020 . 2 . . . . 28 GLU HG2 . 15039 1 286 . 1 1 28 28 GLU HG3 H 1 2.266 0.020 . 2 . . . . 28 GLU HG3 . 15039 1 287 . 1 1 28 28 GLU CA C 13 59.267 0.400 . 1 . . . . 28 GLU CA . 15039 1 288 . 1 1 28 28 GLU CB C 13 29.488 0.400 . 1 . . . . 28 GLU CB . 15039 1 289 . 1 1 28 28 GLU CG C 13 36.121 0.400 . 1 . . . . 28 GLU CG . 15039 1 290 . 1 1 28 28 GLU N N 15 121.065 0.400 . 1 . . . . 28 GLU N . 15039 1 291 . 1 1 29 29 SER H H 1 7.615 0.020 . 1 . . . . 29 SER H . 15039 1 292 . 1 1 29 29 SER HA H 1 2.667 0.020 . 1 . . . . 29 SER HA . 15039 1 293 . 1 1 29 29 SER HB2 H 1 2.923 0.020 . 2 . . . . 29 SER HB2 . 15039 1 294 . 1 1 29 29 SER HB3 H 1 2.825 0.020 . 2 . . . . 29 SER HB3 . 15039 1 295 . 1 1 29 29 SER CA C 13 61.111 0.400 . 1 . . . . 29 SER CA . 15039 1 296 . 1 1 29 29 SER CB C 13 62.491 0.400 . 1 . . . . 29 SER CB . 15039 1 297 . 1 1 29 29 SER N N 15 115.740 0.400 . 1 . . . . 29 SER N . 15039 1 298 . 1 1 30 30 PHE H H 1 7.931 0.020 . 1 . . . . 30 PHE H . 15039 1 299 . 1 1 30 30 PHE HA H 1 4.813 0.020 . 1 . . . . 30 PHE HA . 15039 1 300 . 1 1 30 30 PHE HB2 H 1 2.340 0.020 . 2 . . . . 30 PHE HB2 . 15039 1 301 . 1 1 30 30 PHE HB3 H 1 2.620 0.020 . 2 . . . . 30 PHE HB3 . 15039 1 302 . 1 1 30 30 PHE HD1 H 1 7.260 0.020 . 1 . . . . 30 PHE HD1 . 15039 1 303 . 1 1 30 30 PHE HD2 H 1 7.260 0.020 . 1 . . . . 30 PHE HD2 . 15039 1 304 . 1 1 30 30 PHE CA C 13 56.769 0.400 . 1 . . . . 30 PHE CA . 15039 1 305 . 1 1 30 30 PHE CB C 13 39.496 0.400 . 1 . . . . 30 PHE CB . 15039 1 306 . 1 1 30 30 PHE N N 15 126.923 0.400 . 1 . . . . 30 PHE N . 15039 1 307 . 1 1 31 31 SER H H 1 7.807 0.020 . 1 . . . . 31 SER H . 15039 1 308 . 1 1 31 31 SER HA H 1 3.792 0.020 . 1 . . . . 31 SER HA . 15039 1 309 . 1 1 31 31 SER CA C 13 61.473 0.400 . 1 . . . . 31 SER CA . 15039 1 310 . 1 1 31 31 SER CB C 13 62.592 0.400 . 1 . . . . 31 SER CB . 15039 1 311 . 1 1 31 31 SER N N 15 112.076 0.400 . 1 . . . . 31 SER N . 15039 1 312 . 1 1 32 32 GLU H H 1 7.793 0.020 . 1 . . . . 32 GLU H . 15039 1 313 . 1 1 32 32 GLU HA H 1 4.160 0.020 . 1 . . . . 32 GLU HA . 15039 1 314 . 1 1 32 32 GLU HB2 H 1 2.209 0.020 . 1 . . . . 32 GLU HB2 . 15039 1 315 . 1 1 32 32 GLU HB3 H 1 2.209 0.020 . 1 . . . . 32 GLU HB3 . 15039 1 316 . 1 1 32 32 GLU HG2 H 1 2.546 0.020 . 2 . . . . 32 GLU HG2 . 15039 1 317 . 1 1 32 32 GLU HG3 H 1 2.431 0.020 . 2 . . . . 32 GLU HG3 . 15039 1 318 . 1 1 32 32 GLU CA C 13 59.590 0.400 . 1 . . . . 32 GLU CA . 15039 1 319 . 1 1 32 32 GLU CB C 13 28.689 0.400 . 1 . . . . 32 GLU CB . 15039 1 320 . 1 1 32 32 GLU CG C 13 36.756 0.400 . 1 . . . . 32 GLU CG . 15039 1 321 . 1 1 32 32 GLU N N 15 120.995 0.400 . 1 . . . . 32 GLU N . 15039 1 322 . 1 1 33 33 LEU H H 1 8.387 0.020 . 1 . . . . 33 LEU H . 15039 1 323 . 1 1 33 33 LEU HA H 1 3.562 0.020 . 1 . . . . 33 LEU HA . 15039 1 324 . 1 1 33 33 LEU HB2 H 1 2.233 0.020 . 1 . . . . 33 LEU HB2 . 15039 1 325 . 1 1 33 33 LEU HB3 H 1 2.233 0.020 . 1 . . . . 33 LEU HB3 . 15039 1 326 . 1 1 33 33 LEU HG H 1 1.447 0.020 . 1 . . . . 33 LEU HG . 15039 1 327 . 1 1 33 33 LEU HD11 H 1 0.813 0.020 . 2 . . . . 33 LEU HD1 . 15039 1 328 . 1 1 33 33 LEU HD12 H 1 0.813 0.020 . 2 . . . . 33 LEU HD1 . 15039 1 329 . 1 1 33 33 LEU HD13 H 1 0.813 0.020 . 2 . . . . 33 LEU HD1 . 15039 1 330 . 1 1 33 33 LEU HD21 H 1 0.120 0.020 . 2 . . . . 33 LEU HD2 . 15039 1 331 . 1 1 33 33 LEU HD22 H 1 0.120 0.020 . 2 . . . . 33 LEU HD2 . 15039 1 332 . 1 1 33 33 LEU HD23 H 1 0.120 0.020 . 2 . . . . 33 LEU HD2 . 15039 1 333 . 1 1 33 33 LEU CA C 13 57.042 0.400 . 1 . . . . 33 LEU CA . 15039 1 334 . 1 1 33 33 LEU CB C 13 40.672 0.400 . 1 . . . . 33 LEU CB . 15039 1 335 . 1 1 33 33 LEU CG C 13 26.704 0.400 . 1 . . . . 33 LEU CG . 15039 1 336 . 1 1 33 33 LEU CD1 C 13 26.558 0.400 . 1 . . . . 33 LEU CD1 . 15039 1 337 . 1 1 33 33 LEU CD2 C 13 22.070 0.400 . 1 . . . . 33 LEU CD2 . 15039 1 338 . 1 1 33 33 LEU N N 15 120.111 0.400 . 1 . . . . 33 LEU N . 15039 1 339 . 1 1 34 34 TYR H H 1 7.188 0.020 . 1 . . . . 34 TYR H . 15039 1 340 . 1 1 34 34 TYR HA H 1 3.111 0.020 . 1 . . . . 34 TYR HA . 15039 1 341 . 1 1 34 34 TYR HB2 H 1 2.067 0.020 . 2 . . . . 34 TYR HB2 . 15039 1 342 . 1 1 34 34 TYR HB3 H 1 2.765 0.020 . 2 . . . . 34 TYR HB3 . 15039 1 343 . 1 1 34 34 TYR HD1 H 1 5.962 0.020 . 1 . . . . 34 TYR HD1 . 15039 1 344 . 1 1 34 34 TYR HD2 H 1 5.962 0.020 . 1 . . . . 34 TYR HD2 . 15039 1 345 . 1 1 34 34 TYR HE1 H 1 6.439 0.020 . 1 . . . . 34 TYR HE1 . 15039 1 346 . 1 1 34 34 TYR HE2 H 1 6.439 0.020 . 1 . . . . 34 TYR HE2 . 15039 1 347 . 1 1 34 34 TYR CA C 13 61.229 0.400 . 1 . . . . 34 TYR CA . 15039 1 348 . 1 1 34 34 TYR CB C 13 36.539 0.400 . 1 . . . . 34 TYR CB . 15039 1 349 . 1 1 34 34 TYR N N 15 116.634 0.400 . 1 . . . . 34 TYR N . 15039 1 350 . 1 1 35 35 ASP H H 1 7.073 0.020 . 1 . . . . 35 ASP H . 15039 1 351 . 1 1 35 35 ASP HA H 1 3.993 0.020 . 1 . . . . 35 ASP HA . 15039 1 352 . 1 1 35 35 ASP HB2 H 1 2.825 0.020 . 2 . . . . 35 ASP HB2 . 15039 1 353 . 1 1 35 35 ASP HB3 H 1 2.603 0.020 . 2 . . . . 35 ASP HB3 . 15039 1 354 . 1 1 35 35 ASP CA C 13 57.091 0.400 . 1 . . . . 35 ASP CA . 15039 1 355 . 1 1 35 35 ASP CB C 13 40.828 0.400 . 1 . . . . 35 ASP CB . 15039 1 356 . 1 1 35 35 ASP N N 15 116.817 0.400 . 1 . . . . 35 ASP N . 15039 1 357 . 1 1 36 36 ILE H H 1 7.253 0.020 . 1 . . . . 36 ILE H . 15039 1 358 . 1 1 36 36 ILE HA H 1 4.465 0.020 . 1 . . . . 36 ILE HA . 15039 1 359 . 1 1 36 36 ILE HB H 1 2.018 0.020 . 1 . . . . 36 ILE HB . 15039 1 360 . 1 1 36 36 ILE HG12 H 1 1.322 0.020 . 1 . . . . 36 ILE HG12 . 15039 1 361 . 1 1 36 36 ILE HG13 H 1 1.322 0.020 . 1 . . . . 36 ILE HG13 . 15039 1 362 . 1 1 36 36 ILE HG21 H 1 0.837 0.020 . 1 . . . . 36 ILE HG2 . 15039 1 363 . 1 1 36 36 ILE HG22 H 1 0.837 0.020 . 1 . . . . 36 ILE HG2 . 15039 1 364 . 1 1 36 36 ILE HG23 H 1 0.837 0.020 . 1 . . . . 36 ILE HG2 . 15039 1 365 . 1 1 36 36 ILE HD11 H 1 0.489 0.020 . 1 . . . . 36 ILE HD1 . 15039 1 366 . 1 1 36 36 ILE HD12 H 1 0.489 0.020 . 1 . . . . 36 ILE HD1 . 15039 1 367 . 1 1 36 36 ILE HD13 H 1 0.489 0.020 . 1 . . . . 36 ILE HD1 . 15039 1 368 . 1 1 36 36 ILE CA C 13 61.655 0.400 . 1 . . . . 36 ILE CA . 15039 1 369 . 1 1 36 36 ILE CB C 13 39.639 0.400 . 1 . . . . 36 ILE CB . 15039 1 370 . 1 1 36 36 ILE CG2 C 13 17.479 0.400 . 1 . . . . 36 ILE CG2 . 15039 1 371 . 1 1 36 36 ILE CD1 C 13 14.340 0.400 . 1 . . . . 36 ILE CD1 . 15039 1 372 . 1 1 36 36 ILE N N 15 108.798 0.400 . 1 . . . . 36 ILE N . 15039 1 373 . 1 1 37 37 ILE H H 1 7.500 0.020 . 1 . . . . 37 ILE H . 15039 1 374 . 1 1 37 37 ILE HA H 1 3.924 0.020 . 1 . . . . 37 ILE HA . 15039 1 375 . 1 1 37 37 ILE HB H 1 2.080 0.020 . 1 . . . . 37 ILE HB . 15039 1 376 . 1 1 37 37 ILE HG12 H 1 1.228 0.020 . 2 . . . . 37 ILE HG12 . 15039 1 377 . 1 1 37 37 ILE HG13 H 1 1.655 0.020 . 2 . . . . 37 ILE HG13 . 15039 1 378 . 1 1 37 37 ILE HG21 H 1 0.801 0.020 . 1 . . . . 37 ILE HG2 . 15039 1 379 . 1 1 37 37 ILE HG22 H 1 0.801 0.020 . 1 . . . . 37 ILE HG2 . 15039 1 380 . 1 1 37 37 ILE HG23 H 1 0.801 0.020 . 1 . . . . 37 ILE HG2 . 15039 1 381 . 1 1 37 37 ILE HD11 H 1 0.799 0.020 . 1 . . . . 37 ILE HD1 . 15039 1 382 . 1 1 37 37 ILE HD12 H 1 0.799 0.020 . 1 . . . . 37 ILE HD1 . 15039 1 383 . 1 1 37 37 ILE HD13 H 1 0.799 0.020 . 1 . . . . 37 ILE HD1 . 15039 1 384 . 1 1 37 37 ILE CA C 13 61.063 0.400 . 1 . . . . 37 ILE CA . 15039 1 385 . 1 1 37 37 ILE CB C 13 37.858 0.400 . 1 . . . . 37 ILE CB . 15039 1 386 . 1 1 37 37 ILE CG1 C 13 29.818 0.400 . 1 . . . . 37 ILE CG1 . 15039 1 387 . 1 1 37 37 ILE CG2 C 13 18.492 0.400 . 1 . . . . 37 ILE CG2 . 15039 1 388 . 1 1 37 37 ILE CD1 C 13 14.480 0.400 . 1 . . . . 37 ILE CD1 . 15039 1 389 . 1 1 37 37 ILE N N 15 121.410 0.400 . 1 . . . . 37 ILE N . 15039 1 390 . 1 1 38 38 ASP H H 1 8.418 0.020 . 1 . . . . 38 ASP H . 15039 1 391 . 1 1 38 38 ASP HA H 1 4.673 0.020 . 1 . . . . 38 ASP HA . 15039 1 392 . 1 1 38 38 ASP HB2 H 1 2.777 0.020 . 2 . . . . 38 ASP HB2 . 15039 1 393 . 1 1 38 38 ASP HB3 H 1 2.463 0.020 . 2 . . . . 38 ASP HB3 . 15039 1 394 . 1 1 38 38 ASP CA C 13 52.777 0.400 . 1 . . . . 38 ASP CA . 15039 1 395 . 1 1 38 38 ASP CB C 13 40.235 0.400 . 1 . . . . 38 ASP CB . 15039 1 396 . 1 1 38 38 ASP N N 15 117.654 0.400 . 1 . . . . 38 ASP N . 15039 1 397 . 1 1 39 39 GLU H H 1 7.710 0.020 . 1 . . . . 39 GLU H . 15039 1 398 . 1 1 39 39 GLU HA H 1 4.121 0.020 . 1 . . . . 39 GLU HA . 15039 1 399 . 1 1 39 39 GLU CA C 13 56.805 0.400 . 1 . . . . 39 GLU CA . 15039 1 400 . 1 1 39 39 GLU CB C 13 29.414 0.400 . 1 . . . . 39 GLU CB . 15039 1 401 . 1 1 39 39 GLU N N 15 120.021 0.400 . 1 . . . . 39 GLU N . 15039 1 402 . 1 1 40 40 ASN H H 1 8.272 0.020 . 1 . . . . 40 ASN H . 15039 1 403 . 1 1 40 40 ASN HA H 1 4.542 0.020 . 1 . . . . 40 ASN HA . 15039 1 404 . 1 1 40 40 ASN HB2 H 1 2.837 0.020 . 2 . . . . 40 ASN HB2 . 15039 1 405 . 1 1 40 40 ASN HB3 H 1 2.574 0.020 . 2 . . . . 40 ASN HB3 . 15039 1 406 . 1 1 40 40 ASN CA C 13 53.322 0.400 . 1 . . . . 40 ASN CA . 15039 1 407 . 1 1 40 40 ASN CB C 13 38.572 0.400 . 1 . . . . 40 ASN CB . 15039 1 408 . 1 1 40 40 ASN N N 15 118.244 0.400 . 1 . . . . 40 ASN N . 15039 1 409 . 1 1 41 41 ASP H H 1 7.686 0.020 . 1 . . . . 41 ASP H . 15039 1 410 . 1 1 41 41 ASP HA H 1 3.773 0.020 . 1 . . . . 41 ASP HA . 15039 1 411 . 1 1 41 41 ASP HB2 H 1 2.627 0.020 . 1 . . . . 41 ASP HB2 . 15039 1 412 . 1 1 41 41 ASP HB3 H 1 2.627 0.020 . 1 . . . . 41 ASP HB3 . 15039 1 413 . 1 1 41 41 ASP CA C 13 53.483 0.400 . 1 . . . . 41 ASP CA . 15039 1 414 . 1 1 41 41 ASP CB C 13 42.614 0.400 . 1 . . . . 41 ASP CB . 15039 1 415 . 1 1 41 41 ASP N N 15 118.844 0.400 . 1 . . . . 41 ASP N . 15039 1 416 . 1 1 42 42 THR H H 1 8.573 0.020 . 1 . . . . 42 THR H . 15039 1 417 . 1 1 42 42 THR HA H 1 3.928 0.020 . 1 . . . . 42 THR HA . 15039 1 418 . 1 1 42 42 THR HB H 1 4.211 0.020 . 1 . . . . 42 THR HB . 15039 1 419 . 1 1 42 42 THR HG21 H 1 1.245 0.020 . 1 . . . . 42 THR HG2 . 15039 1 420 . 1 1 42 42 THR HG22 H 1 1.245 0.020 . 1 . . . . 42 THR HG2 . 15039 1 421 . 1 1 42 42 THR HG23 H 1 1.245 0.020 . 1 . . . . 42 THR HG2 . 15039 1 422 . 1 1 42 42 THR CA C 13 64.831 0.400 . 1 . . . . 42 THR CA . 15039 1 423 . 1 1 42 42 THR CB C 13 68.915 0.400 . 1 . . . . 42 THR CB . 15039 1 424 . 1 1 42 42 THR CG2 C 13 22.153 0.400 . 1 . . . . 42 THR CG2 . 15039 1 425 . 1 1 42 42 THR N N 15 118.442 0.400 . 1 . . . . 42 THR N . 15039 1 426 . 1 1 43 43 ASP H H 1 8.495 0.020 . 1 . . . . 43 ASP H . 15039 1 427 . 1 1 43 43 ASP HA H 1 4.722 0.020 . 1 . . . . 43 ASP HA . 15039 1 428 . 1 1 43 43 ASP HB2 H 1 3.729 0.020 . 1 . . . . 43 ASP HB2 . 15039 1 429 . 1 1 43 43 ASP CA C 13 57.088 0.400 . 1 . . . . 43 ASP CA . 15039 1 430 . 1 1 43 43 ASP CB C 13 39.770 0.400 . 1 . . . . 43 ASP CB . 15039 1 431 . 1 1 43 43 ASP N N 15 123.041 0.400 . 1 . . . . 43 ASP N . 15039 1 432 . 1 1 44 44 VAL H H 1 7.723 0.020 . 1 . . . . 44 VAL H . 15039 1 433 . 1 1 44 44 VAL HA H 1 3.889 0.020 . 1 . . . . 44 VAL HA . 15039 1 434 . 1 1 44 44 VAL HB H 1 2.151 0.020 . 1 . . . . 44 VAL HB . 15039 1 435 . 1 1 44 44 VAL HG11 H 1 0.995 0.020 . 2 . . . . 44 VAL HG1 . 15039 1 436 . 1 1 44 44 VAL HG12 H 1 0.995 0.020 . 2 . . . . 44 VAL HG1 . 15039 1 437 . 1 1 44 44 VAL HG13 H 1 0.995 0.020 . 2 . . . . 44 VAL HG1 . 15039 1 438 . 1 1 44 44 VAL HG21 H 1 0.995 0.020 . 2 . . . . 44 VAL HG2 . 15039 1 439 . 1 1 44 44 VAL HG22 H 1 0.995 0.020 . 2 . . . . 44 VAL HG2 . 15039 1 440 . 1 1 44 44 VAL HG23 H 1 0.995 0.020 . 2 . . . . 44 VAL HG2 . 15039 1 441 . 1 1 44 44 VAL CA C 13 65.323 0.400 . 1 . . . . 44 VAL CA . 15039 1 442 . 1 1 44 44 VAL CB C 13 31.682 0.400 . 1 . . . . 44 VAL CB . 15039 1 443 . 1 1 44 44 VAL CG1 C 13 21.823 0.400 . 1 . . . . 44 VAL CG1 . 15039 1 444 . 1 1 44 44 VAL N N 15 119.925 0.400 . 1 . . . . 44 VAL N . 15039 1 445 . 1 1 45 45 MET H H 1 7.592 0.020 . 1 . . . . 45 MET H . 15039 1 446 . 1 1 45 45 MET HA H 1 4.324 0.020 . 1 . . . . 45 MET HA . 15039 1 447 . 1 1 45 45 MET HB2 H 1 2.141 0.020 . 1 . . . . 45 MET HB2 . 15039 1 448 . 1 1 45 45 MET HB3 H 1 2.141 0.020 . 1 . . . . 45 MET HB3 . 15039 1 449 . 1 1 45 45 MET HG2 H 1 2.551 0.020 . 2 . . . . 45 MET HG2 . 15039 1 450 . 1 1 45 45 MET HG3 H 1 2.468 0.020 . 2 . . . . 45 MET HG3 . 15039 1 451 . 1 1 45 45 MET HE1 H 1 1.816 0.020 . 1 . . . . 45 MET HE . 15039 1 452 . 1 1 45 45 MET HE2 H 1 1.816 0.020 . 1 . . . . 45 MET HE . 15039 1 453 . 1 1 45 45 MET HE3 H 1 1.816 0.020 . 1 . . . . 45 MET HE . 15039 1 454 . 1 1 45 45 MET CA C 13 57.303 0.400 . 1 . . . . 45 MET CA . 15039 1 455 . 1 1 45 45 MET CB C 13 31.363 0.400 . 1 . . . . 45 MET CB . 15039 1 456 . 1 1 45 45 MET CG C 13 31.922 0.400 . 1 . . . . 45 MET CG . 15039 1 457 . 1 1 45 45 MET CE C 13 16.655 0.400 . 1 . . . . 45 MET CE . 15039 1 458 . 1 1 45 45 MET N N 15 120.656 0.400 . 1 . . . . 45 MET N . 15039 1 459 . 1 1 46 46 MET H H 1 8.084 0.020 . 1 . . . . 46 MET H . 15039 1 460 . 1 1 46 46 MET HA H 1 4.278 0.020 . 1 . . . . 46 MET HA . 15039 1 461 . 1 1 46 46 MET HB2 H 1 2.760 0.020 . 2 . . . . 46 MET HB2 . 15039 1 462 . 1 1 46 46 MET HB3 H 1 2.676 0.020 . 2 . . . . 46 MET HB3 . 15039 1 463 . 1 1 46 46 MET HG2 H 1 2.226 0.020 . 2 . . . . 46 MET HG2 . 15039 1 464 . 1 1 46 46 MET HG3 H 1 2.106 0.020 . 2 . . . . 46 MET HG3 . 15039 1 465 . 1 1 46 46 MET HE1 H 1 2.051 0.020 . 1 . . . . 46 MET HE . 15039 1 466 . 1 1 46 46 MET HE2 H 1 2.051 0.020 . 1 . . . . 46 MET HE . 15039 1 467 . 1 1 46 46 MET HE3 H 1 2.051 0.020 . 1 . . . . 46 MET HE . 15039 1 468 . 1 1 46 46 MET CA C 13 58.101 0.400 . 1 . . . . 46 MET CA . 15039 1 469 . 1 1 46 46 MET CB C 13 32.346 0.400 . 1 . . . . 46 MET CB . 15039 1 470 . 1 1 46 46 MET CG C 13 31.157 0.400 . 1 . . . . 46 MET CG . 15039 1 471 . 1 1 46 46 MET CE C 13 16.920 0.400 . 1 . . . . 46 MET CE . 15039 1 472 . 1 1 46 46 MET N N 15 118.016 0.400 . 1 . . . . 46 MET N . 15039 1 473 . 1 1 47 47 ASP H H 1 7.934 0.020 . 1 . . . . 47 ASP H . 15039 1 474 . 1 1 47 47 ASP HA H 1 4.368 0.020 . 1 . . . . 47 ASP HA . 15039 1 475 . 1 1 47 47 ASP HB2 H 1 2.719 0.020 . 1 . . . . 47 ASP HB2 . 15039 1 476 . 1 1 47 47 ASP HB3 H 1 2.719 0.020 . 1 . . . . 47 ASP HB3 . 15039 1 477 . 1 1 47 47 ASP CA C 13 57.273 0.400 . 1 . . . . 47 ASP CA . 15039 1 478 . 1 1 47 47 ASP CB C 13 41.270 0.400 . 1 . . . . 47 ASP CB . 15039 1 479 . 1 1 47 47 ASP N N 15 121.020 0.400 . 1 . . . . 47 ASP N . 15039 1 480 . 1 1 48 48 PHE H H 1 7.815 0.020 . 1 . . . . 48 PHE H . 15039 1 481 . 1 1 48 48 PHE HA H 1 4.086 0.020 . 1 . . . . 48 PHE HA . 15039 1 482 . 1 1 48 48 PHE HB2 H 1 3.491 0.020 . 2 . . . . 48 PHE HB2 . 15039 1 483 . 1 1 48 48 PHE HB3 H 1 3.100 0.020 . 2 . . . . 48 PHE HB3 . 15039 1 484 . 1 1 48 48 PHE HD1 H 1 7.083 0.020 . 1 . . . . 48 PHE HD1 . 15039 1 485 . 1 1 48 48 PHE HD2 H 1 7.083 0.020 . 1 . . . . 48 PHE HD2 . 15039 1 486 . 1 1 48 48 PHE HE1 H 1 6.886 0.020 . 1 . . . . 48 PHE HE1 . 15039 1 487 . 1 1 48 48 PHE HE2 H 1 6.886 0.020 . 1 . . . . 48 PHE HE2 . 15039 1 488 . 1 1 48 48 PHE CA C 13 62.267 0.400 . 1 . . . . 48 PHE CA . 15039 1 489 . 1 1 48 48 PHE CB C 13 39.330 0.400 . 1 . . . . 48 PHE CB . 15039 1 490 . 1 1 48 48 PHE N N 15 122.669 0.400 . 1 . . . . 48 PHE N . 15039 1 491 . 1 1 49 49 ILE H H 1 8.452 0.020 . 1 . . . . 49 ILE H . 15039 1 492 . 1 1 49 49 ILE HA H 1 3.347 0.020 . 1 . . . . 49 ILE HA . 15039 1 493 . 1 1 49 49 ILE HB H 1 1.977 0.020 . 1 . . . . 49 ILE HB . 15039 1 494 . 1 1 49 49 ILE HG12 H 1 1.020 0.020 . 2 . . . . 49 ILE HG12 . 15039 1 495 . 1 1 49 49 ILE HG13 H 1 2.042 0.020 . 2 . . . . 49 ILE HG13 . 15039 1 496 . 1 1 49 49 ILE HG21 H 1 0.910 0.020 . 1 . . . . 49 ILE HG2 . 15039 1 497 . 1 1 49 49 ILE HG22 H 1 0.910 0.020 . 1 . . . . 49 ILE HG2 . 15039 1 498 . 1 1 49 49 ILE HG23 H 1 0.910 0.020 . 1 . . . . 49 ILE HG2 . 15039 1 499 . 1 1 49 49 ILE HD11 H 1 0.923 0.020 . 1 . . . . 49 ILE HD1 . 15039 1 500 . 1 1 49 49 ILE HD12 H 1 0.923 0.020 . 1 . . . . 49 ILE HD1 . 15039 1 501 . 1 1 49 49 ILE HD13 H 1 0.923 0.020 . 1 . . . . 49 ILE HD1 . 15039 1 502 . 1 1 49 49 ILE CA C 13 66.033 0.400 . 1 . . . . 49 ILE CA . 15039 1 503 . 1 1 49 49 ILE CB C 13 38.693 0.400 . 1 . . . . 49 ILE CB . 15039 1 504 . 1 1 49 49 ILE CG1 C 13 29.919 0.400 . 1 . . . . 49 ILE CG1 . 15039 1 505 . 1 1 49 49 ILE CG2 C 13 17.137 0.400 . 1 . . . . 49 ILE CG2 . 15039 1 506 . 1 1 49 49 ILE CD1 C 13 14.079 0.400 . 1 . . . . 49 ILE CD1 . 15039 1 507 . 1 1 49 49 ILE N N 15 119.061 0.400 . 1 . . . . 49 ILE N . 15039 1 508 . 1 1 50 50 SER H H 1 8.048 0.020 . 1 . . . . 50 SER H . 15039 1 509 . 1 1 50 50 SER HA H 1 4.023 0.020 . 1 . . . . 50 SER HA . 15039 1 510 . 1 1 50 50 SER HB2 H 1 3.926 0.020 . 1 . . . . 50 SER HB2 . 15039 1 511 . 1 1 50 50 SER HB3 H 1 3.926 0.020 . 1 . . . . 50 SER HB3 . 15039 1 512 . 1 1 50 50 SER CA C 13 61.213 0.400 . 1 . . . . 50 SER CA . 15039 1 513 . 1 1 50 50 SER CB C 13 62.716 0.400 . 1 . . . . 50 SER CB . 15039 1 514 . 1 1 50 50 SER N N 15 113.600 0.400 . 1 . . . . 50 SER N . 15039 1 515 . 1 1 51 51 ARG H H 1 7.691 0.020 . 1 . . . . 51 ARG H . 15039 1 516 . 1 1 51 51 ARG HA H 1 4.635 0.020 . 1 . . . . 51 ARG HA . 15039 1 517 . 1 1 51 51 ARG CA C 13 58.871 0.400 . 1 . . . . 51 ARG CA . 15039 1 518 . 1 1 51 51 ARG CB C 13 31.193 0.400 . 1 . . . . 51 ARG CB . 15039 1 519 . 1 1 51 51 ARG N N 15 118.927 0.400 . 1 . . . . 51 ARG N . 15039 1 520 . 1 1 52 52 PHE H H 1 7.503 0.020 . 1 . . . . 52 PHE H . 15039 1 521 . 1 1 52 52 PHE HA H 1 4.534 0.020 . 1 . . . . 52 PHE HA . 15039 1 522 . 1 1 52 52 PHE HB2 H 1 2.920 0.020 . 2 . . . . 52 PHE HB2 . 15039 1 523 . 1 1 52 52 PHE HB3 H 1 1.864 0.020 . 2 . . . . 52 PHE HB3 . 15039 1 524 . 1 1 52 52 PHE HD1 H 1 6.526 0.020 . 1 . . . . 52 PHE HD1 . 15039 1 525 . 1 1 52 52 PHE HD2 H 1 6.526 0.020 . 1 . . . . 52 PHE HD2 . 15039 1 526 . 1 1 52 52 PHE HE1 H 1 7.035 0.020 . 1 . . . . 52 PHE HE1 . 15039 1 527 . 1 1 52 52 PHE HE2 H 1 7.035 0.020 . 1 . . . . 52 PHE HE2 . 15039 1 528 . 1 1 52 52 PHE CA C 13 59.900 0.400 . 1 . . . . 52 PHE CA . 15039 1 529 . 1 1 52 52 PHE CB C 13 40.688 0.400 . 1 . . . . 52 PHE CB . 15039 1 530 . 1 1 52 52 PHE N N 15 113.369 0.400 . 1 . . . . 52 PHE N . 15039 1 531 . 1 1 53 53 ALA H H 1 8.433 0.020 . 1 . . . . 53 ALA H . 15039 1 532 . 1 1 53 53 ALA HA H 1 4.343 0.020 . 1 . . . . 53 ALA HA . 15039 1 533 . 1 1 53 53 ALA HB1 H 1 1.449 0.020 . 1 . . . . 53 ALA HB . 15039 1 534 . 1 1 53 53 ALA HB2 H 1 1.449 0.020 . 1 . . . . 53 ALA HB . 15039 1 535 . 1 1 53 53 ALA HB3 H 1 1.449 0.020 . 1 . . . . 53 ALA HB . 15039 1 536 . 1 1 53 53 ALA CA C 13 53.284 0.400 . 1 . . . . 53 ALA CA . 15039 1 537 . 1 1 53 53 ALA CB C 13 19.343 0.400 . 1 . . . . 53 ALA CB . 15039 1 538 . 1 1 53 53 ALA N N 15 121.298 0.400 . 1 . . . . 53 ALA N . 15039 1 539 . 1 1 54 54 ARG H H 1 8.949 0.020 . 1 . . . . 54 ARG H . 15039 1 540 . 1 1 54 54 ARG CA C 13 57.451 0.400 . 1 . . . . 54 ARG CA . 15039 1 541 . 1 1 54 54 ARG CB C 13 31.127 0.400 . 1 . . . . 54 ARG CB . 15039 1 542 . 1 1 54 54 ARG N N 15 123.728 0.400 . 1 . . . . 54 ARG N . 15039 1 543 . 1 1 55 55 THR H H 1 8.716 0.020 . 1 . . . . 55 THR H . 15039 1 544 . 1 1 55 55 THR HA H 1 4.404 0.020 . 1 . . . . 55 THR HA . 15039 1 545 . 1 1 55 55 THR HB H 1 4.364 0.020 . 1 . . . . 55 THR HB . 15039 1 546 . 1 1 55 55 THR HG21 H 1 1.177 0.020 . 1 . . . . 55 THR HG2 . 15039 1 547 . 1 1 55 55 THR HG22 H 1 1.177 0.020 . 1 . . . . 55 THR HG2 . 15039 1 548 . 1 1 55 55 THR HG23 H 1 1.177 0.020 . 1 . . . . 55 THR HG2 . 15039 1 549 . 1 1 55 55 THR CA C 13 61.838 0.400 . 1 . . . . 55 THR CA . 15039 1 550 . 1 1 55 55 THR CB C 13 69.664 0.400 . 1 . . . . 55 THR CB . 15039 1 551 . 1 1 55 55 THR CG2 C 13 21.650 0.400 . 1 . . . . 55 THR CG2 . 15039 1 552 . 1 1 55 55 THR N N 15 115.567 0.400 . 1 . . . . 55 THR N . 15039 1 553 . 1 1 56 56 ASP H H 1 8.365 0.020 . 1 . . . . 56 ASP H . 15039 1 554 . 1 1 56 56 ASP HA H 1 4.593 0.020 . 1 . . . . 56 ASP HA . 15039 1 555 . 1 1 56 56 ASP HB2 H 1 2.692 0.020 . 2 . . . . 56 ASP HB2 . 15039 1 556 . 1 1 56 56 ASP HB3 H 1 2.651 0.020 . 2 . . . . 56 ASP HB3 . 15039 1 557 . 1 1 56 56 ASP CA C 13 52.744 0.400 . 1 . . . . 56 ASP CA . 15039 1 558 . 1 1 56 56 ASP CB C 13 40.955 0.400 . 1 . . . . 56 ASP CB . 15039 1 559 . 1 1 56 56 ASP N N 15 121.715 0.400 . 1 . . . . 56 ASP N . 15039 1 560 . 1 1 57 57 GLU H H 1 8.103 0.020 . 1 . . . . 57 GLU H . 15039 1 561 . 1 1 57 57 GLU HA H 1 3.944 0.020 . 1 . . . . 57 GLU HA . 15039 1 562 . 1 1 57 57 GLU HB2 H 1 1.820 0.020 . 1 . . . . 57 GLU HB2 . 15039 1 563 . 1 1 57 57 GLU HB3 H 1 1.820 0.020 . 1 . . . . 57 GLU HB3 . 15039 1 564 . 1 1 57 57 GLU HG2 H 1 2.179 0.020 . 1 . . . . 57 GLU HG2 . 15039 1 565 . 1 1 57 57 GLU HG3 H 1 2.179 0.020 . 1 . . . . 57 GLU HG3 . 15039 1 566 . 1 1 57 57 GLU CA C 13 56.566 0.400 . 1 . . . . 57 GLU CA . 15039 1 567 . 1 1 57 57 GLU CB C 13 30.303 0.400 . 1 . . . . 57 GLU CB . 15039 1 568 . 1 1 57 57 GLU CG C 13 36.062 0.400 . 1 . . . . 57 GLU CG . 15039 1 569 . 1 1 57 57 GLU N N 15 119.540 0.400 . 1 . . . . 57 GLU N . 15039 1 570 . 1 1 58 58 ILE H H 1 8.032 0.020 . 1 . . . . 58 ILE H . 15039 1 571 . 1 1 58 58 ILE HA H 1 3.766 0.020 . 1 . . . . 58 ILE HA . 15039 1 572 . 1 1 58 58 ILE HB H 1 1.652 0.020 . 1 . . . . 58 ILE HB . 15039 1 573 . 1 1 58 58 ILE HG12 H 1 1.578 0.020 . 2 . . . . 58 ILE HG12 . 15039 1 574 . 1 1 58 58 ILE HG13 H 1 1.039 0.020 . 2 . . . . 58 ILE HG13 . 15039 1 575 . 1 1 58 58 ILE HG21 H 1 0.812 0.020 . 1 . . . . 58 ILE HG2 . 15039 1 576 . 1 1 58 58 ILE HG22 H 1 0.812 0.020 . 1 . . . . 58 ILE HG2 . 15039 1 577 . 1 1 58 58 ILE HG23 H 1 0.812 0.020 . 1 . . . . 58 ILE HG2 . 15039 1 578 . 1 1 58 58 ILE HD11 H 1 0.793 0.020 . 1 . . . . 58 ILE HD1 . 15039 1 579 . 1 1 58 58 ILE HD12 H 1 0.793 0.020 . 1 . . . . 58 ILE HD1 . 15039 1 580 . 1 1 58 58 ILE HD13 H 1 0.793 0.020 . 1 . . . . 58 ILE HD1 . 15039 1 581 . 1 1 58 58 ILE CA C 13 61.925 0.400 . 1 . . . . 58 ILE CA . 15039 1 582 . 1 1 58 58 ILE CB C 13 37.780 0.400 . 1 . . . . 58 ILE CB . 15039 1 583 . 1 1 58 58 ILE CG2 C 13 17.634 0.400 . 1 . . . . 58 ILE CG2 . 15039 1 584 . 1 1 58 58 ILE CD1 C 13 13.082 0.400 . 1 . . . . 58 ILE CD1 . 15039 1 585 . 1 1 58 58 ILE N N 15 123.203 0.400 . 1 . . . . 58 ILE N . 15039 1 586 . 1 1 59 59 MET H H 1 8.513 0.020 . 1 . . . . 59 MET H . 15039 1 587 . 1 1 59 59 MET HA H 1 4.997 0.020 . 1 . . . . 59 MET HA . 15039 1 588 . 1 1 59 59 MET HB2 H 1 2.742 0.020 . 2 . . . . 59 MET HB2 . 15039 1 589 . 1 1 59 59 MET HB3 H 1 2.522 0.020 . 2 . . . . 59 MET HB3 . 15039 1 590 . 1 1 59 59 MET HG2 H 1 2.205 0.020 . 2 . . . . 59 MET HG2 . 15039 1 591 . 1 1 59 59 MET HG3 H 1 1.969 0.020 . 2 . . . . 59 MET HG3 . 15039 1 592 . 1 1 59 59 MET CA C 13 52.055 0.400 . 1 . . . . 59 MET CA . 15039 1 593 . 1 1 59 59 MET CB C 13 31.488 0.400 . 1 . . . . 59 MET CB . 15039 1 594 . 1 1 59 59 MET N N 15 129.266 0.400 . 1 . . . . 59 MET N . 15039 1 595 . 1 1 60 60 PRO HA H 1 4.204 0.020 . 1 . . . . 60 PRO HA . 15039 1 596 . 1 1 60 60 PRO HB2 H 1 2.306 0.020 . 2 . . . . 60 PRO HB2 . 15039 1 597 . 1 1 60 60 PRO HB3 H 1 1.824 0.020 . 2 . . . . 60 PRO HB3 . 15039 1 598 . 1 1 60 60 PRO HD3 H 1 3.772 0.020 . 2 . . . . 60 PRO HD3 . 15039 1 599 . 1 1 60 60 PRO CA C 13 65.296 0.400 . 1 . . . . 60 PRO CA . 15039 1 600 . 1 1 60 60 PRO CB C 13 31.926 0.400 . 1 . . . . 60 PRO CB . 15039 1 601 . 1 1 60 60 PRO CD C 13 50.615 0.400 . 1 . . . . 60 PRO CD . 15039 1 602 . 1 1 61 61 GLU H H 1 8.349 0.020 . 1 . . . . 61 GLU H . 15039 1 603 . 1 1 61 61 GLU HA H 1 4.125 0.020 . 1 . . . . 61 GLU HA . 15039 1 604 . 1 1 61 61 GLU HB2 H 1 2.059 0.020 . 2 . . . . 61 GLU HB2 . 15039 1 605 . 1 1 61 61 GLU HB3 H 1 1.913 0.020 . 2 . . . . 61 GLU HB3 . 15039 1 606 . 1 1 61 61 GLU HG2 H 1 2.202 0.020 . 2 . . . . 61 GLU HG2 . 15039 1 607 . 1 1 61 61 GLU HG3 H 1 2.132 0.020 . 2 . . . . 61 GLU HG3 . 15039 1 608 . 1 1 61 61 GLU CA C 13 56.893 0.400 . 1 . . . . 61 GLU CA . 15039 1 609 . 1 1 61 61 GLU CB C 13 29.325 0.400 . 1 . . . . 61 GLU CB . 15039 1 610 . 1 1 61 61 GLU CG C 13 36.779 0.400 . 1 . . . . 61 GLU CG . 15039 1 611 . 1 1 61 61 GLU N N 15 113.170 0.400 . 1 . . . . 61 GLU N . 15039 1 612 . 1 1 62 62 ASP H H 1 7.488 0.020 . 1 . . . . 62 ASP H . 15039 1 613 . 1 1 62 62 ASP HA H 1 4.553 0.020 . 1 . . . . 62 ASP HA . 15039 1 614 . 1 1 62 62 ASP HB2 H 1 2.788 0.020 . 2 . . . . 62 ASP HB2 . 15039 1 615 . 1 1 62 62 ASP HB3 H 1 2.562 0.020 . 2 . . . . 62 ASP HB3 . 15039 1 616 . 1 1 62 62 ASP CA C 13 55.738 0.400 . 1 . . . . 62 ASP CA . 15039 1 617 . 1 1 62 62 ASP CB C 13 40.969 0.400 . 1 . . . . 62 ASP CB . 15039 1 618 . 1 1 62 62 ASP N N 15 120.883 0.400 . 1 . . . . 62 ASP N . 15039 1 619 . 1 1 63 63 LYS H H 1 7.898 0.020 . 1 . . . . 63 LYS H . 15039 1 620 . 1 1 63 63 LYS HA H 1 4.584 0.020 . 1 . . . . 63 LYS HA . 15039 1 621 . 1 1 63 63 LYS HB2 H 1 1.612 0.020 . 2 . . . . 63 LYS HB2 . 15039 1 622 . 1 1 63 63 LYS HB3 H 1 1.540 0.020 . 2 . . . . 63 LYS HB3 . 15039 1 623 . 1 1 63 63 LYS HG2 H 1 1.341 0.020 . 2 . . . . 63 LYS HG2 . 15039 1 624 . 1 1 63 63 LYS HG3 H 1 1.141 0.020 . 2 . . . . 63 LYS HG3 . 15039 1 625 . 1 1 63 63 LYS HD2 H 1 1.529 0.020 . 1 . . . . 63 LYS HD2 . 15039 1 626 . 1 1 63 63 LYS HD3 H 1 1.529 0.020 . 1 . . . . 63 LYS HD3 . 15039 1 627 . 1 1 63 63 LYS HE2 H 1 2.843 0.020 . 1 . . . . 63 LYS HE2 . 15039 1 628 . 1 1 63 63 LYS HE3 H 1 2.843 0.020 . 1 . . . . 63 LYS HE3 . 15039 1 629 . 1 1 63 63 LYS CA C 13 54.937 0.400 . 1 . . . . 63 LYS CA . 15039 1 630 . 1 1 63 63 LYS CB C 13 36.304 0.400 . 1 . . . . 63 LYS CB . 15039 1 631 . 1 1 63 63 LYS CG C 13 24.655 0.400 . 1 . . . . 63 LYS CG . 15039 1 632 . 1 1 63 63 LYS CD C 13 29.061 0.400 . 1 . . . . 63 LYS CD . 15039 1 633 . 1 1 63 63 LYS N N 15 120.381 0.400 . 1 . . . . 63 LYS N . 15039 1 634 . 1 1 64 64 THR H H 1 8.697 0.020 . 1 . . . . 64 THR H . 15039 1 635 . 1 1 64 64 THR HA H 1 4.442 0.020 . 1 . . . . 64 THR HA . 15039 1 636 . 1 1 64 64 THR HB H 1 3.826 0.020 . 1 . . . . 64 THR HB . 15039 1 637 . 1 1 64 64 THR HG21 H 1 0.621 0.020 . 1 . . . . 64 THR HG2 . 15039 1 638 . 1 1 64 64 THR HG22 H 1 0.621 0.020 . 1 . . . . 64 THR HG2 . 15039 1 639 . 1 1 64 64 THR HG23 H 1 0.621 0.020 . 1 . . . . 64 THR HG2 . 15039 1 640 . 1 1 64 64 THR CA C 13 61.380 0.400 . 1 . . . . 64 THR CA . 15039 1 641 . 1 1 64 64 THR CB C 13 67.747 0.400 . 1 . . . . 64 THR CB . 15039 1 642 . 1 1 64 64 THR CG2 C 13 23.436 0.400 . 1 . . . . 64 THR CG2 . 15039 1 643 . 1 1 64 64 THR N N 15 123.099 0.400 . 1 . . . . 64 THR N . 15039 1 644 . 1 1 65 65 VAL H H 1 8.638 0.020 . 1 . . . . 65 VAL H . 15039 1 645 . 1 1 65 65 VAL HA H 1 4.276 0.020 . 1 . . . . 65 VAL HA . 15039 1 646 . 1 1 65 65 VAL HB H 1 2.725 0.020 . 1 . . . . 65 VAL HB . 15039 1 647 . 1 1 65 65 VAL HG11 H 1 0.881 0.020 . 2 . . . . 65 VAL HG1 . 15039 1 648 . 1 1 65 65 VAL HG12 H 1 0.881 0.020 . 2 . . . . 65 VAL HG1 . 15039 1 649 . 1 1 65 65 VAL HG13 H 1 0.881 0.020 . 2 . . . . 65 VAL HG1 . 15039 1 650 . 1 1 65 65 VAL HG21 H 1 0.775 0.020 . 2 . . . . 65 VAL HG2 . 15039 1 651 . 1 1 65 65 VAL HG22 H 1 0.775 0.020 . 2 . . . . 65 VAL HG2 . 15039 1 652 . 1 1 65 65 VAL HG23 H 1 0.775 0.020 . 2 . . . . 65 VAL HG2 . 15039 1 653 . 1 1 65 65 VAL CA C 13 60.969 0.400 . 1 . . . . 65 VAL CA . 15039 1 654 . 1 1 65 65 VAL CB C 13 32.162 0.400 . 1 . . . . 65 VAL CB . 15039 1 655 . 1 1 65 65 VAL CG1 C 13 23.046 0.400 . 1 . . . . 65 VAL CG1 . 15039 1 656 . 1 1 65 65 VAL CG2 C 13 18.798 0.400 . 1 . . . . 65 VAL CG2 . 15039 1 657 . 1 1 65 65 VAL N N 15 119.026 0.400 . 1 . . . . 65 VAL N . 15039 1 658 . 1 1 66 66 GLY H H 1 6.450 0.020 . 1 . . . . 66 GLY H . 15039 1 659 . 1 1 66 66 GLY HA2 H 1 4.157 0.020 . 2 . . . . 66 GLY HA2 . 15039 1 660 . 1 1 66 66 GLY HA3 H 1 3.882 0.020 . 2 . . . . 66 GLY HA3 . 15039 1 661 . 1 1 66 66 GLY CA C 13 45.015 0.400 . 1 . . . . 66 GLY CA . 15039 1 662 . 1 1 66 66 GLY N N 15 105.676 0.400 . 1 . . . . 66 GLY N . 15039 1 663 . 1 1 67 67 PHE H H 1 8.137 0.020 . 1 . . . . 67 PHE H . 15039 1 664 . 1 1 67 67 PHE HA H 1 4.992 0.020 . 1 . . . . 67 PHE HA . 15039 1 665 . 1 1 67 67 PHE HB2 H 1 2.705 0.020 . 2 . . . . 67 PHE HB2 . 15039 1 666 . 1 1 67 67 PHE HB3 H 1 2.538 0.020 . 2 . . . . 67 PHE HB3 . 15039 1 667 . 1 1 67 67 PHE HD1 H 1 6.880 0.020 . 1 . . . . 67 PHE HD1 . 15039 1 668 . 1 1 67 67 PHE HD2 H 1 6.880 0.020 . 1 . . . . 67 PHE HD2 . 15039 1 669 . 1 1 67 67 PHE CA C 13 56.196 0.400 . 1 . . . . 67 PHE CA . 15039 1 670 . 1 1 67 67 PHE CB C 13 42.729 0.400 . 1 . . . . 67 PHE CB . 15039 1 671 . 1 1 67 67 PHE N N 15 116.670 0.400 . 1 . . . . 67 PHE N . 15039 1 672 . 1 1 68 68 VAL H H 1 8.801 0.020 . 1 . . . . 68 VAL H . 15039 1 673 . 1 1 68 68 VAL HA H 1 4.723 0.020 . 1 . . . . 68 VAL HA . 15039 1 674 . 1 1 68 68 VAL HB H 1 1.762 0.020 . 1 . . . . 68 VAL HB . 15039 1 675 . 1 1 68 68 VAL HG11 H 1 0.790 0.020 . 2 . . . . 68 VAL HG1 . 15039 1 676 . 1 1 68 68 VAL HG12 H 1 0.790 0.020 . 2 . . . . 68 VAL HG1 . 15039 1 677 . 1 1 68 68 VAL HG13 H 1 0.790 0.020 . 2 . . . . 68 VAL HG1 . 15039 1 678 . 1 1 68 68 VAL HG21 H 1 0.400 0.020 . 2 . . . . 68 VAL HG2 . 15039 1 679 . 1 1 68 68 VAL HG22 H 1 0.400 0.020 . 2 . . . . 68 VAL HG2 . 15039 1 680 . 1 1 68 68 VAL HG23 H 1 0.400 0.020 . 2 . . . . 68 VAL HG2 . 15039 1 681 . 1 1 68 68 VAL CA C 13 60.994 0.400 . 1 . . . . 68 VAL CA . 15039 1 682 . 1 1 68 68 VAL CB C 13 33.755 0.400 . 1 . . . . 68 VAL CB . 15039 1 683 . 1 1 68 68 VAL CG1 C 13 21.167 0.400 . 1 . . . . 68 VAL CG1 . 15039 1 684 . 1 1 68 68 VAL CG2 C 13 20.433 0.400 . 1 . . . . 68 VAL CG2 . 15039 1 685 . 1 1 68 68 VAL N N 15 124.854 0.400 . 1 . . . . 68 VAL N . 15039 1 686 . 1 1 69 69 VAL H H 1 9.141 0.020 . 1 . . . . 69 VAL H . 15039 1 687 . 1 1 69 69 VAL HA H 1 4.907 0.020 . 1 . . . . 69 VAL HA . 15039 1 688 . 1 1 69 69 VAL HB H 1 2.064 0.020 . 1 . . . . 69 VAL HB . 15039 1 689 . 1 1 69 69 VAL HG11 H 1 0.850 0.020 . 2 . . . . 69 VAL HG1 . 15039 1 690 . 1 1 69 69 VAL HG12 H 1 0.850 0.020 . 2 . . . . 69 VAL HG1 . 15039 1 691 . 1 1 69 69 VAL HG13 H 1 0.850 0.020 . 2 . . . . 69 VAL HG1 . 15039 1 692 . 1 1 69 69 VAL HG21 H 1 0.850 0.020 . 2 . . . . 69 VAL HG2 . 15039 1 693 . 1 1 69 69 VAL HG22 H 1 0.850 0.020 . 2 . . . . 69 VAL HG2 . 15039 1 694 . 1 1 69 69 VAL HG23 H 1 0.850 0.020 . 2 . . . . 69 VAL HG2 . 15039 1 695 . 1 1 69 69 VAL CA C 13 61.342 0.400 . 1 . . . . 69 VAL CA . 15039 1 696 . 1 1 69 69 VAL CB C 13 33.104 0.400 . 1 . . . . 69 VAL CB . 15039 1 697 . 1 1 69 69 VAL CG2 C 13 20.926 0.400 . 1 . . . . 69 VAL CG2 . 15039 1 698 . 1 1 69 69 VAL N N 15 129.367 0.400 . 1 . . . . 69 VAL N . 15039 1 699 . 1 1 70 70 VAL H H 1 9.117 0.020 . 1 . . . . 70 VAL H . 15039 1 700 . 1 1 70 70 VAL HA H 1 4.898 0.020 . 1 . . . . 70 VAL HA . 15039 1 701 . 1 1 70 70 VAL HB H 1 1.988 0.020 . 1 . . . . 70 VAL HB . 15039 1 702 . 1 1 70 70 VAL HG11 H 1 0.907 0.020 . 2 . . . . 70 VAL HG1 . 15039 1 703 . 1 1 70 70 VAL HG12 H 1 0.907 0.020 . 2 . . . . 70 VAL HG1 . 15039 1 704 . 1 1 70 70 VAL HG13 H 1 0.907 0.020 . 2 . . . . 70 VAL HG1 . 15039 1 705 . 1 1 70 70 VAL HG21 H 1 0.833 0.020 . 2 . . . . 70 VAL HG2 . 15039 1 706 . 1 1 70 70 VAL HG22 H 1 0.833 0.020 . 2 . . . . 70 VAL HG2 . 15039 1 707 . 1 1 70 70 VAL HG23 H 1 0.833 0.020 . 2 . . . . 70 VAL HG2 . 15039 1 708 . 1 1 70 70 VAL CA C 13 60.313 0.400 . 1 . . . . 70 VAL CA . 15039 1 709 . 1 1 70 70 VAL CB C 13 35.334 0.400 . 1 . . . . 70 VAL CB . 15039 1 710 . 1 1 70 70 VAL CG1 C 13 21.262 0.400 . 1 . . . . 70 VAL CG1 . 15039 1 711 . 1 1 70 70 VAL CG2 C 13 22.099 0.400 . 1 . . . . 70 VAL CG2 . 15039 1 712 . 1 1 70 70 VAL N N 15 125.083 0.400 . 1 . . . . 70 VAL N . 15039 1 713 . 1 1 71 71 ASN H H 1 9.132 0.020 . 1 . . . . 71 ASN H . 15039 1 714 . 1 1 71 71 ASN HA H 1 5.248 0.020 . 1 . . . . 71 ASN HA . 15039 1 715 . 1 1 71 71 ASN HB2 H 1 2.681 0.020 . 2 . . . . 71 ASN HB2 . 15039 1 716 . 1 1 71 71 ASN HB3 H 1 2.914 0.020 . 2 . . . . 71 ASN HB3 . 15039 1 717 . 1 1 71 71 ASN HD21 H 1 7.337 0.020 . 2 . . . . 71 ASN HD21 . 15039 1 718 . 1 1 71 71 ASN HD22 H 1 7.884 0.020 . 2 . . . . 71 ASN HD22 . 15039 1 719 . 1 1 71 71 ASN CA C 13 51.907 0.400 . 1 . . . . 71 ASN CA . 15039 1 720 . 1 1 71 71 ASN CB C 13 39.668 0.400 . 1 . . . . 71 ASN CB . 15039 1 721 . 1 1 71 71 ASN N N 15 127.175 0.400 . 1 . . . . 71 ASN N . 15039 1 722 . 1 1 71 71 ASN ND2 N 15 114.047 0.400 . 1 . . . . 71 ASN ND2 . 15039 1 723 . 1 1 72 72 ALA H H 1 8.952 0.020 . 1 . . . . 72 ALA H . 15039 1 724 . 1 1 72 72 ALA HA H 1 4.245 0.020 . 1 . . . . 72 ALA HA . 15039 1 725 . 1 1 72 72 ALA HB1 H 1 1.670 0.020 . 1 . . . . 72 ALA HB . 15039 1 726 . 1 1 72 72 ALA HB2 H 1 1.670 0.020 . 1 . . . . 72 ALA HB . 15039 1 727 . 1 1 72 72 ALA HB3 H 1 1.670 0.020 . 1 . . . . 72 ALA HB . 15039 1 728 . 1 1 72 72 ALA CA C 13 55.177 0.400 . 1 . . . . 72 ALA CA . 15039 1 729 . 1 1 72 72 ALA CB C 13 19.271 0.400 . 1 . . . . 72 ALA CB . 15039 1 730 . 1 1 72 72 ALA N N 15 126.767 0.400 . 1 . . . . 72 ALA N . 15039 1 731 . 1 1 73 73 ASP H H 1 8.219 0.020 . 1 . . . . 73 ASP H . 15039 1 732 . 1 1 73 73 ASP HA H 1 4.407 0.020 . 1 . . . . 73 ASP HA . 15039 1 733 . 1 1 73 73 ASP HB2 H 1 2.676 0.020 . 1 . . . . 73 ASP HB2 . 15039 1 734 . 1 1 73 73 ASP HB3 H 1 2.676 0.020 . 1 . . . . 73 ASP HB3 . 15039 1 735 . 1 1 73 73 ASP CA C 13 57.073 0.400 . 1 . . . . 73 ASP CA . 15039 1 736 . 1 1 73 73 ASP CB C 13 41.104 0.400 . 1 . . . . 73 ASP CB . 15039 1 737 . 1 1 73 73 ASP N N 15 118.126 0.400 . 1 . . . . 73 ASP N . 15039 1 738 . 1 1 74 74 LYS H H 1 7.462 0.020 . 1 . . . . 74 LYS H . 15039 1 739 . 1 1 74 74 LYS HA H 1 4.081 0.020 . 1 . . . . 74 LYS HA . 15039 1 740 . 1 1 74 74 LYS HB2 H 1 1.877 0.020 . 2 . . . . 74 LYS HB2 . 15039 1 741 . 1 1 74 74 LYS HB3 H 1 1.155 0.020 . 2 . . . . 74 LYS HB3 . 15039 1 742 . 1 1 74 74 LYS HG2 H 1 1.382 0.020 . 2 . . . . 74 LYS HG2 . 15039 1 743 . 1 1 74 74 LYS HG3 H 1 1.284 0.020 . 2 . . . . 74 LYS HG3 . 15039 1 744 . 1 1 74 74 LYS CA C 13 55.410 0.400 . 1 . . . . 74 LYS CA . 15039 1 745 . 1 1 74 74 LYS CB C 13 33.409 0.400 . 1 . . . . 74 LYS CB . 15039 1 746 . 1 1 74 74 LYS CG C 13 25.455 0.400 . 1 . . . . 74 LYS CG . 15039 1 747 . 1 1 74 74 LYS N N 15 115.219 0.400 . 1 . . . . 74 LYS N . 15039 1 748 . 1 1 75 75 LYS H H 1 7.472 0.020 . 1 . . . . 75 LYS H . 15039 1 749 . 1 1 75 75 LYS HA H 1 4.507 0.020 . 1 . . . . 75 LYS HA . 15039 1 750 . 1 1 75 75 LYS HB2 H 1 1.660 0.020 . 1 . . . . 75 LYS HB2 . 15039 1 751 . 1 1 75 75 LYS HB3 H 1 1.660 0.020 . 1 . . . . 75 LYS HB3 . 15039 1 752 . 1 1 75 75 LYS CA C 13 56.586 0.400 . 1 . . . . 75 LYS CA . 15039 1 753 . 1 1 75 75 LYS CB C 13 29.048 0.400 . 1 . . . . 75 LYS CB . 15039 1 754 . 1 1 75 75 LYS N N 15 115.907 0.400 . 1 . . . . 75 LYS N . 15039 1 755 . 1 1 76 76 LEU H H 1 7.764 0.020 . 1 . . . . 76 LEU H . 15039 1 756 . 1 1 76 76 LEU HA H 1 5.173 0.020 . 1 . . . . 76 LEU HA . 15039 1 757 . 1 1 76 76 LEU HB2 H 1 1.571 0.020 . 2 . . . . 76 LEU HB2 . 15039 1 758 . 1 1 76 76 LEU HB3 H 1 1.473 0.020 . 2 . . . . 76 LEU HB3 . 15039 1 759 . 1 1 76 76 LEU HG H 1 1.430 0.020 . 1 . . . . 76 LEU HG . 15039 1 760 . 1 1 76 76 LEU HD11 H 1 0.811 0.020 . 2 . . . . 76 LEU HD1 . 15039 1 761 . 1 1 76 76 LEU HD12 H 1 0.811 0.020 . 2 . . . . 76 LEU HD1 . 15039 1 762 . 1 1 76 76 LEU HD13 H 1 0.811 0.020 . 2 . . . . 76 LEU HD1 . 15039 1 763 . 1 1 76 76 LEU HD21 H 1 0.857 0.020 . 2 . . . . 76 LEU HD2 . 15039 1 764 . 1 1 76 76 LEU HD22 H 1 0.857 0.020 . 2 . . . . 76 LEU HD2 . 15039 1 765 . 1 1 76 76 LEU HD23 H 1 0.857 0.020 . 2 . . . . 76 LEU HD2 . 15039 1 766 . 1 1 76 76 LEU CA C 13 53.779 0.400 . 1 . . . . 76 LEU CA . 15039 1 767 . 1 1 76 76 LEU CB C 13 46.440 0.400 . 1 . . . . 76 LEU CB . 15039 1 768 . 1 1 76 76 LEU CG C 13 26.586 0.400 . 1 . . . . 76 LEU CG . 15039 1 769 . 1 1 76 76 LEU CD1 C 13 24.732 0.400 . 1 . . . . 76 LEU CD1 . 15039 1 770 . 1 1 76 76 LEU CD2 C 13 24.030 0.400 . 1 . . . . 76 LEU CD2 . 15039 1 771 . 1 1 76 76 LEU N N 15 118.833 0.400 . 1 . . . . 76 LEU N . 15039 1 772 . 1 1 77 77 MET H H 1 8.765 0.020 . 1 . . . . 77 MET H . 15039 1 773 . 1 1 77 77 MET HA H 1 5.515 0.020 . 1 . . . . 77 MET HA . 15039 1 774 . 1 1 77 77 MET HB2 H 1 1.873 0.020 . 2 . . . . 77 MET HB2 . 15039 1 775 . 1 1 77 77 MET HB3 H 1 1.777 0.020 . 2 . . . . 77 MET HB3 . 15039 1 776 . 1 1 77 77 MET HG2 H 1 2.116 0.020 . 2 . . . . 77 MET HG2 . 15039 1 777 . 1 1 77 77 MET HG3 H 1 2.027 0.020 . 2 . . . . 77 MET HG3 . 15039 1 778 . 1 1 77 77 MET CA C 13 54.488 0.400 . 1 . . . . 77 MET CA . 15039 1 779 . 1 1 77 77 MET CB C 13 37.074 0.400 . 1 . . . . 77 MET CB . 15039 1 780 . 1 1 77 77 MET CG C 13 32.189 0.400 . 1 . . . . 77 MET CG . 15039 1 781 . 1 1 77 77 MET N N 15 123.849 0.400 . 1 . . . . 77 MET N . 15039 1 782 . 1 1 78 78 SER H H 1 9.213 0.020 . 1 . . . . 78 SER H . 15039 1 783 . 1 1 78 78 SER HA H 1 5.538 0.020 . 1 . . . . 78 SER HA . 15039 1 784 . 1 1 78 78 SER HB2 H 1 3.731 0.020 . 2 . . . . 78 SER HB2 . 15039 1 785 . 1 1 78 78 SER HB3 H 1 3.619 0.020 . 2 . . . . 78 SER HB3 . 15039 1 786 . 1 1 78 78 SER CA C 13 56.394 0.400 . 1 . . . . 78 SER CA . 15039 1 787 . 1 1 78 78 SER CB C 13 65.070 0.400 . 1 . . . . 78 SER CB . 15039 1 788 . 1 1 78 78 SER N N 15 121.903 0.400 . 1 . . . . 78 SER N . 15039 1 789 . 1 1 79 79 VAL H H 1 8.588 0.020 . 1 . . . . 79 VAL H . 15039 1 790 . 1 1 79 79 VAL HA H 1 4.733 0.020 . 1 . . . . 79 VAL HA . 15039 1 791 . 1 1 79 79 VAL HB H 1 2.009 0.020 . 1 . . . . 79 VAL HB . 15039 1 792 . 1 1 79 79 VAL HG11 H 1 0.962 0.020 . 2 . . . . 79 VAL HG1 . 15039 1 793 . 1 1 79 79 VAL HG12 H 1 0.962 0.020 . 2 . . . . 79 VAL HG1 . 15039 1 794 . 1 1 79 79 VAL HG13 H 1 0.962 0.020 . 2 . . . . 79 VAL HG1 . 15039 1 795 . 1 1 79 79 VAL HG21 H 1 0.922 0.020 . 2 . . . . 79 VAL HG2 . 15039 1 796 . 1 1 79 79 VAL HG22 H 1 0.922 0.020 . 2 . . . . 79 VAL HG2 . 15039 1 797 . 1 1 79 79 VAL HG23 H 1 0.922 0.020 . 2 . . . . 79 VAL HG2 . 15039 1 798 . 1 1 79 79 VAL CA C 13 55.284 0.400 . 1 . . . . 79 VAL CA . 15039 1 799 . 1 1 79 79 VAL CB C 13 34.929 0.400 . 1 . . . . 79 VAL CB . 15039 1 800 . 1 1 79 79 VAL CG1 C 13 21.879 0.400 . 1 . . . . 79 VAL CG1 . 15039 1 801 . 1 1 79 79 VAL CG2 C 13 21.444 0.400 . 1 . . . . 79 VAL CG2 . 15039 1 802 . 1 1 79 79 VAL N N 15 124.732 0.400 . 1 . . . . 79 VAL N . 15039 1 803 . 1 1 80 80 SER H H 1 8.497 0.020 . 1 . . . . 80 SER H . 15039 1 804 . 1 1 80 80 SER HA H 1 4.426 0.020 . 1 . . . . 80 SER HA . 15039 1 805 . 1 1 80 80 SER CA C 13 56.490 0.400 . 1 . . . . 80 SER CA . 15039 1 806 . 1 1 80 80 SER CB C 13 64.546 0.400 . 1 . . . . 80 SER CB . 15039 1 807 . 1 1 80 80 SER N N 15 123.027 0.400 . 1 . . . . 80 SER N . 15039 1 808 . 1 1 81 81 PHE H H 1 8.535 0.020 . 1 . . . . 81 PHE H . 15039 1 809 . 1 1 81 81 PHE HA H 1 5.292 0.020 . 1 . . . . 81 PHE HA . 15039 1 810 . 1 1 81 81 PHE HB2 H 1 2.659 0.020 . 2 . . . . 81 PHE HB2 . 15039 1 811 . 1 1 81 81 PHE HB3 H 1 2.766 0.020 . 2 . . . . 81 PHE HB3 . 15039 1 812 . 1 1 81 81 PHE HD1 H 1 6.746 0.020 . 1 . . . . 81 PHE HD1 . 15039 1 813 . 1 1 81 81 PHE HD2 H 1 6.746 0.020 . 1 . . . . 81 PHE HD2 . 15039 1 814 . 1 1 81 81 PHE HE1 H 1 6.419 0.020 . 1 . . . . 81 PHE HE1 . 15039 1 815 . 1 1 81 81 PHE HE2 H 1 6.419 0.020 . 1 . . . . 81 PHE HE2 . 15039 1 816 . 1 1 81 81 PHE HZ H 1 6.579 0.020 . 1 . . . . 81 PHE HZ . 15039 1 817 . 1 1 81 81 PHE CA C 13 56.817 0.400 . 1 . . . . 81 PHE CA . 15039 1 818 . 1 1 81 81 PHE CB C 13 46.174 0.400 . 1 . . . . 81 PHE CB . 15039 1 819 . 1 1 81 81 PHE N N 15 124.728 0.400 . 1 . . . . 81 PHE N . 15039 1 820 . 1 1 82 82 SER H H 1 8.376 0.020 . 1 . . . . 82 SER H . 15039 1 821 . 1 1 82 82 SER HA H 1 4.546 0.020 . 1 . . . . 82 SER HA . 15039 1 822 . 1 1 82 82 SER HB2 H 1 3.788 0.020 . 2 . . . . 82 SER HB2 . 15039 1 823 . 1 1 82 82 SER HB3 H 1 3.707 0.020 . 2 . . . . 82 SER HB3 . 15039 1 824 . 1 1 82 82 SER CA C 13 57.206 0.400 . 1 . . . . 82 SER CA . 15039 1 825 . 1 1 82 82 SER CB C 13 65.173 0.400 . 1 . . . . 82 SER CB . 15039 1 826 . 1 1 82 82 SER N N 15 112.815 0.400 . 1 . . . . 82 SER N . 15039 1 827 . 1 1 83 83 ASP H H 1 8.377 0.020 . 1 . . . . 83 ASP H . 15039 1 828 . 1 1 83 83 ASP HA H 1 4.331 0.020 . 1 . . . . 83 ASP HA . 15039 1 829 . 1 1 83 83 ASP HB2 H 1 2.787 0.020 . 2 . . . . 83 ASP HB2 . 15039 1 830 . 1 1 83 83 ASP HB3 H 1 2.621 0.020 . 2 . . . . 83 ASP HB3 . 15039 1 831 . 1 1 83 83 ASP CA C 13 55.781 0.400 . 1 . . . . 83 ASP CA . 15039 1 832 . 1 1 83 83 ASP CB C 13 39.651 0.400 . 1 . . . . 83 ASP CB . 15039 1 833 . 1 1 83 83 ASP N N 15 116.696 0.400 . 1 . . . . 83 ASP N . 15039 1 834 . 1 1 84 84 ILE H H 1 7.346 0.020 . 1 . . . . 84 ILE H . 15039 1 835 . 1 1 84 84 ILE HA H 1 4.570 0.020 . 1 . . . . 84 ILE HA . 15039 1 836 . 1 1 84 84 ILE HB H 1 1.755 0.020 . 1 . . . . 84 ILE HB . 15039 1 837 . 1 1 84 84 ILE HG12 H 1 1.195 0.020 . 2 . . . . 84 ILE HG12 . 15039 1 838 . 1 1 84 84 ILE HG13 H 1 0.728 0.020 . 2 . . . . 84 ILE HG13 . 15039 1 839 . 1 1 84 84 ILE HG21 H 1 0.872 0.020 . 1 . . . . 84 ILE HG2 . 15039 1 840 . 1 1 84 84 ILE HG22 H 1 0.872 0.020 . 1 . . . . 84 ILE HG2 . 15039 1 841 . 1 1 84 84 ILE HG23 H 1 0.872 0.020 . 1 . . . . 84 ILE HG2 . 15039 1 842 . 1 1 84 84 ILE HD11 H 1 0.340 0.020 . 1 . . . . 84 ILE HD1 . 15039 1 843 . 1 1 84 84 ILE HD12 H 1 0.340 0.020 . 1 . . . . 84 ILE HD1 . 15039 1 844 . 1 1 84 84 ILE HD13 H 1 0.340 0.020 . 1 . . . . 84 ILE HD1 . 15039 1 845 . 1 1 84 84 ILE CA C 13 59.241 0.400 . 1 . . . . 84 ILE CA . 15039 1 846 . 1 1 84 84 ILE CB C 13 41.912 0.400 . 1 . . . . 84 ILE CB . 15039 1 847 . 1 1 84 84 ILE CG1 C 13 25.337 0.400 . 1 . . . . 84 ILE CG1 . 15039 1 848 . 1 1 84 84 ILE CG2 C 13 18.381 0.400 . 1 . . . . 84 ILE CG2 . 15039 1 849 . 1 1 84 84 ILE CD1 C 13 15.213 0.400 . 1 . . . . 84 ILE CD1 . 15039 1 850 . 1 1 84 84 ILE N N 15 110.323 0.400 . 1 . . . . 84 ILE N . 15039 1 851 . 1 1 85 85 ASP H H 1 8.155 0.020 . 1 . . . . 85 ASP H . 15039 1 852 . 1 1 85 85 ASP HA H 1 4.455 0.020 . 1 . . . . 85 ASP HA . 15039 1 853 . 1 1 85 85 ASP HB2 H 1 2.912 0.020 . 2 . . . . 85 ASP HB2 . 15039 1 854 . 1 1 85 85 ASP HB3 H 1 2.568 0.020 . 2 . . . . 85 ASP HB3 . 15039 1 855 . 1 1 85 85 ASP CA C 13 53.878 0.400 . 1 . . . . 85 ASP CA . 15039 1 856 . 1 1 85 85 ASP CB C 13 42.357 0.400 . 1 . . . . 85 ASP CB . 15039 1 857 . 1 1 85 85 ASP N N 15 120.159 0.400 . 1 . . . . 85 ASP N . 15039 1 858 . 1 1 86 86 GLU H H 1 8.604 0.020 . 1 . . . . 86 GLU H . 15039 1 859 . 1 1 86 86 GLU HA H 1 3.792 0.020 . 1 . . . . 86 GLU HA . 15039 1 860 . 1 1 86 86 GLU HB2 H 1 1.995 0.020 . 1 . . . . 86 GLU HB2 . 15039 1 861 . 1 1 86 86 GLU HB3 H 1 1.995 0.020 . 1 . . . . 86 GLU HB3 . 15039 1 862 . 1 1 86 86 GLU HG2 H 1 2.293 0.020 . 1 . . . . 86 GLU HG2 . 15039 1 863 . 1 1 86 86 GLU HG3 H 1 2.293 0.020 . 1 . . . . 86 GLU HG3 . 15039 1 864 . 1 1 86 86 GLU CA C 13 59.397 0.400 . 1 . . . . 86 GLU CA . 15039 1 865 . 1 1 86 86 GLU CB C 13 29.728 0.400 . 1 . . . . 86 GLU CB . 15039 1 866 . 1 1 86 86 GLU CG C 13 35.903 0.400 . 1 . . . . 86 GLU CG . 15039 1 867 . 1 1 86 86 GLU N N 15 119.646 0.400 . 1 . . . . 86 GLU N . 15039 1 868 . 1 1 87 87 ASN H H 1 8.433 0.020 . 1 . . . . 87 ASN H . 15039 1 869 . 1 1 87 87 ASN HA H 1 4.369 0.020 . 1 . . . . 87 ASN HA . 15039 1 870 . 1 1 87 87 ASN HB2 H 1 2.797 0.020 . 2 . . . . 87 ASN HB2 . 15039 1 871 . 1 1 87 87 ASN HB3 H 1 2.694 0.020 . 2 . . . . 87 ASN HB3 . 15039 1 872 . 1 1 87 87 ASN CA C 13 56.529 0.400 . 1 . . . . 87 ASN CA . 15039 1 873 . 1 1 87 87 ASN CB C 13 37.870 0.400 . 1 . . . . 87 ASN CB . 15039 1 874 . 1 1 87 87 ASN N N 15 118.172 0.400 . 1 . . . . 87 ASN N . 15039 1 875 . 1 1 88 88 MET H H 1 8.118 0.020 . 1 . . . . 88 MET H . 15039 1 876 . 1 1 88 88 MET HA H 1 4.141 0.020 . 1 . . . . 88 MET HA . 15039 1 877 . 1 1 88 88 MET HB2 H 1 2.139 0.020 . 2 . . . . 88 MET HB2 . 15039 1 878 . 1 1 88 88 MET HB3 H 1 1.833 0.020 . 2 . . . . 88 MET HB3 . 15039 1 879 . 1 1 88 88 MET HG2 H 1 2.400 0.020 . 1 . . . . 88 MET HG2 . 15039 1 880 . 1 1 88 88 MET HG3 H 1 2.400 0.020 . 1 . . . . 88 MET HG3 . 15039 1 881 . 1 1 88 88 MET HE1 H 1 2.032 0.020 . 1 . . . . 88 MET HE . 15039 1 882 . 1 1 88 88 MET HE2 H 1 2.032 0.020 . 1 . . . . 88 MET HE . 15039 1 883 . 1 1 88 88 MET HE3 H 1 2.032 0.020 . 1 . . . . 88 MET HE . 15039 1 884 . 1 1 88 88 MET CA C 13 57.749 0.400 . 1 . . . . 88 MET CA . 15039 1 885 . 1 1 88 88 MET CB C 13 32.143 0.400 . 1 . . . . 88 MET CB . 15039 1 886 . 1 1 88 88 MET CG C 13 32.565 0.400 . 1 . . . . 88 MET CG . 15039 1 887 . 1 1 88 88 MET CE C 13 17.177 0.400 . 1 . . . . 88 MET CE . 15039 1 888 . 1 1 88 88 MET N N 15 121.018 0.400 . 1 . . . . 88 MET N . 15039 1 889 . 1 1 89 89 LYS H H 1 8.176 0.020 . 1 . . . . 89 LYS H . 15039 1 890 . 1 1 89 89 LYS HA H 1 3.449 0.020 . 1 . . . . 89 LYS HA . 15039 1 891 . 1 1 89 89 LYS HB2 H 1 1.860 0.020 . 2 . . . . 89 LYS HB2 . 15039 1 892 . 1 1 89 89 LYS HB3 H 1 1.704 0.020 . 2 . . . . 89 LYS HB3 . 15039 1 893 . 1 1 89 89 LYS CA C 13 60.643 0.400 . 1 . . . . 89 LYS CA . 15039 1 894 . 1 1 89 89 LYS CB C 13 32.850 0.400 . 1 . . . . 89 LYS CB . 15039 1 895 . 1 1 89 89 LYS N N 15 118.334 0.400 . 1 . . . . 89 LYS N . 15039 1 896 . 1 1 90 90 LYS H H 1 7.494 0.020 . 1 . . . . 90 LYS H . 15039 1 897 . 1 1 90 90 LYS HA H 1 3.858 0.020 . 1 . . . . 90 LYS HA . 15039 1 898 . 1 1 90 90 LYS HB2 H 1 1.909 0.020 . 1 . . . . 90 LYS HB2 . 15039 1 899 . 1 1 90 90 LYS HB3 H 1 1.909 0.020 . 1 . . . . 90 LYS HB3 . 15039 1 900 . 1 1 90 90 LYS HG2 H 1 1.615 0.020 . 2 . . . . 90 LYS HG2 . 15039 1 901 . 1 1 90 90 LYS HG3 H 1 1.364 0.020 . 2 . . . . 90 LYS HG3 . 15039 1 902 . 1 1 90 90 LYS HD2 H 1 1.625 0.020 . 2 . . . . 90 LYS HD2 . 15039 1 903 . 1 1 90 90 LYS HD3 H 1 1.351 0.020 . 2 . . . . 90 LYS HD3 . 15039 1 904 . 1 1 90 90 LYS HE2 H 1 2.907 0.020 . 1 . . . . 90 LYS HE2 . 15039 1 905 . 1 1 90 90 LYS HE3 H 1 2.907 0.020 . 1 . . . . 90 LYS HE3 . 15039 1 906 . 1 1 90 90 LYS CA C 13 59.889 0.400 . 1 . . . . 90 LYS CA . 15039 1 907 . 1 1 90 90 LYS CB C 13 32.442 0.400 . 1 . . . . 90 LYS CB . 15039 1 908 . 1 1 90 90 LYS CG C 13 26.261 0.400 . 1 . . . . 90 LYS CG . 15039 1 909 . 1 1 90 90 LYS CD C 13 25.260 0.400 . 1 . . . . 90 LYS CD . 15039 1 910 . 1 1 90 90 LYS N N 15 116.659 0.400 . 1 . . . . 90 LYS N . 15039 1 911 . 1 1 91 91 VAL H H 1 7.550 0.020 . 1 . . . . 91 VAL H . 15039 1 912 . 1 1 91 91 VAL HA H 1 3.853 0.020 . 1 . . . . 91 VAL HA . 15039 1 913 . 1 1 91 91 VAL HB H 1 2.056 0.020 . 1 . . . . 91 VAL HB . 15039 1 914 . 1 1 91 91 VAL HG11 H 1 1.002 0.020 . 2 . . . . 91 VAL HG1 . 15039 1 915 . 1 1 91 91 VAL HG12 H 1 1.002 0.020 . 2 . . . . 91 VAL HG1 . 15039 1 916 . 1 1 91 91 VAL HG13 H 1 1.002 0.020 . 2 . . . . 91 VAL HG1 . 15039 1 917 . 1 1 91 91 VAL HG21 H 1 0.955 0.020 . 2 . . . . 91 VAL HG2 . 15039 1 918 . 1 1 91 91 VAL HG22 H 1 0.955 0.020 . 2 . . . . 91 VAL HG2 . 15039 1 919 . 1 1 91 91 VAL HG23 H 1 0.955 0.020 . 2 . . . . 91 VAL HG2 . 15039 1 920 . 1 1 91 91 VAL CA C 13 65.698 0.400 . 1 . . . . 91 VAL CA . 15039 1 921 . 1 1 91 91 VAL CB C 13 31.825 0.400 . 1 . . . . 91 VAL CB . 15039 1 922 . 1 1 91 91 VAL CG1 C 13 21.898 0.400 . 1 . . . . 91 VAL CG1 . 15039 1 923 . 1 1 91 91 VAL CG2 C 13 22.294 0.400 . 1 . . . . 91 VAL CG2 . 15039 1 924 . 1 1 91 91 VAL N N 15 119.325 0.400 . 1 . . . . 91 VAL N . 15039 1 925 . 1 1 92 92 ILE H H 1 8.568 0.020 . 1 . . . . 92 ILE H . 15039 1 926 . 1 1 92 92 ILE HA H 1 3.486 0.020 . 1 . . . . 92 ILE HA . 15039 1 927 . 1 1 92 92 ILE HB H 1 1.496 0.020 . 1 . . . . 92 ILE HB . 15039 1 928 . 1 1 92 92 ILE HG12 H 1 1.633 0.020 . 1 . . . . 92 ILE HG12 . 15039 1 929 . 1 1 92 92 ILE HG13 H 1 1.633 0.020 . 1 . . . . 92 ILE HG13 . 15039 1 930 . 1 1 92 92 ILE HG21 H 1 0.545 0.020 . 1 . . . . 92 ILE HG2 . 15039 1 931 . 1 1 92 92 ILE HG22 H 1 0.545 0.020 . 1 . . . . 92 ILE HG2 . 15039 1 932 . 1 1 92 92 ILE HG23 H 1 0.545 0.020 . 1 . . . . 92 ILE HG2 . 15039 1 933 . 1 1 92 92 ILE HD11 H 1 -0.353 0.020 . 1 . . . . 92 ILE HD1 . 15039 1 934 . 1 1 92 92 ILE HD12 H 1 -0.353 0.020 . 1 . . . . 92 ILE HD1 . 15039 1 935 . 1 1 92 92 ILE HD13 H 1 -0.353 0.020 . 1 . . . . 92 ILE HD1 . 15039 1 936 . 1 1 92 92 ILE CA C 13 67.146 0.400 . 1 . . . . 92 ILE CA . 15039 1 937 . 1 1 92 92 ILE CB C 13 37.702 0.400 . 1 . . . . 92 ILE CB . 15039 1 938 . 1 1 92 92 ILE CG2 C 13 17.720 0.400 . 1 . . . . 92 ILE CG2 . 15039 1 939 . 1 1 92 92 ILE CD1 C 13 13.097 0.400 . 1 . . . . 92 ILE CD1 . 15039 1 940 . 1 1 92 92 ILE N N 15 123.574 0.400 . 1 . . . . 92 ILE N . 15039 1 941 . 1 1 93 93 LYS H H 1 8.331 0.020 . 1 . . . . 93 LYS H . 15039 1 942 . 1 1 93 93 LYS HA H 1 3.767 0.020 . 1 . . . . 93 LYS HA . 15039 1 943 . 1 1 93 93 LYS HB2 H 1 1.920 0.020 . 2 . . . . 93 LYS HB2 . 15039 1 944 . 1 1 93 93 LYS HB3 H 1 1.825 0.020 . 2 . . . . 93 LYS HB3 . 15039 1 945 . 1 1 93 93 LYS HG2 H 1 1.452 0.020 . 2 . . . . 93 LYS HG2 . 15039 1 946 . 1 1 93 93 LYS HG3 H 1 1.382 0.020 . 2 . . . . 93 LYS HG3 . 15039 1 947 . 1 1 93 93 LYS CA C 13 60.771 0.400 . 1 . . . . 93 LYS CA . 15039 1 948 . 1 1 93 93 LYS CB C 13 32.679 0.400 . 1 . . . . 93 LYS CB . 15039 1 949 . 1 1 93 93 LYS N N 15 119.669 0.400 . 1 . . . . 93 LYS N . 15039 1 950 . 1 1 94 94 ALA H H 1 7.747 0.020 . 1 . . . . 94 ALA H . 15039 1 951 . 1 1 94 94 ALA HA H 1 4.080 0.020 . 1 . . . . 94 ALA HA . 15039 1 952 . 1 1 94 94 ALA HB1 H 1 1.414 0.020 . 1 . . . . 94 ALA HB . 15039 1 953 . 1 1 94 94 ALA HB2 H 1 1.414 0.020 . 1 . . . . 94 ALA HB . 15039 1 954 . 1 1 94 94 ALA HB3 H 1 1.414 0.020 . 1 . . . . 94 ALA HB . 15039 1 955 . 1 1 94 94 ALA CA C 13 55.040 0.400 . 1 . . . . 94 ALA CA . 15039 1 956 . 1 1 94 94 ALA CB C 13 18.060 0.400 . 1 . . . . 94 ALA CB . 15039 1 957 . 1 1 94 94 ALA N N 15 119.355 0.400 . 1 . . . . 94 ALA N . 15039 1 958 . 1 1 95 95 THR H H 1 8.108 0.020 . 1 . . . . 95 THR H . 15039 1 959 . 1 1 95 95 THR HA H 1 3.549 0.020 . 1 . . . . 95 THR HA . 15039 1 960 . 1 1 95 95 THR HB H 1 4.129 0.020 . 1 . . . . 95 THR HB . 15039 1 961 . 1 1 95 95 THR HG21 H 1 0.557 0.020 . 1 . . . . 95 THR HG2 . 15039 1 962 . 1 1 95 95 THR HG22 H 1 0.557 0.020 . 1 . . . . 95 THR HG2 . 15039 1 963 . 1 1 95 95 THR HG23 H 1 0.557 0.020 . 1 . . . . 95 THR HG2 . 15039 1 964 . 1 1 95 95 THR CA C 13 66.938 0.400 . 1 . . . . 95 THR CA . 15039 1 965 . 1 1 95 95 THR CB C 13 67.950 0.400 . 1 . . . . 95 THR CB . 15039 1 966 . 1 1 95 95 THR CG2 C 13 21.188 0.400 . 1 . . . . 95 THR CG2 . 15039 1 967 . 1 1 95 95 THR N N 15 116.173 0.400 . 1 . . . . 95 THR N . 15039 1 968 . 1 1 96 96 ALA H H 1 8.627 0.020 . 1 . . . . 96 ALA H . 15039 1 969 . 1 1 96 96 ALA HA H 1 3.889 0.020 . 1 . . . . 96 ALA HA . 15039 1 970 . 1 1 96 96 ALA HB1 H 1 1.486 0.020 . 1 . . . . 96 ALA HB . 15039 1 971 . 1 1 96 96 ALA HB2 H 1 1.486 0.020 . 1 . . . . 96 ALA HB . 15039 1 972 . 1 1 96 96 ALA HB3 H 1 1.486 0.020 . 1 . . . . 96 ALA HB . 15039 1 973 . 1 1 96 96 ALA CA C 13 54.998 0.400 . 1 . . . . 96 ALA CA . 15039 1 974 . 1 1 96 96 ALA CB C 13 18.071 0.400 . 1 . . . . 96 ALA CB . 15039 1 975 . 1 1 96 96 ALA N N 15 123.001 0.400 . 1 . . . . 96 ALA N . 15039 1 976 . 1 1 97 97 GLU H H 1 8.166 0.020 . 1 . . . . 97 GLU H . 15039 1 977 . 1 1 97 97 GLU HA H 1 3.828 0.020 . 1 . . . . 97 GLU HA . 15039 1 978 . 1 1 97 97 GLU HB2 H 1 2.001 0.020 . 1 . . . . 97 GLU HB2 . 15039 1 979 . 1 1 97 97 GLU HB3 H 1 2.001 0.020 . 1 . . . . 97 GLU HB3 . 15039 1 980 . 1 1 97 97 GLU HG2 H 1 2.474 0.020 . 2 . . . . 97 GLU HG2 . 15039 1 981 . 1 1 97 97 GLU HG3 H 1 2.245 0.020 . 2 . . . . 97 GLU HG3 . 15039 1 982 . 1 1 97 97 GLU CA C 13 59.191 0.400 . 1 . . . . 97 GLU CA . 15039 1 983 . 1 1 97 97 GLU CB C 13 29.519 0.400 . 1 . . . . 97 GLU CB . 15039 1 984 . 1 1 97 97 GLU CG C 13 36.727 0.400 . 1 . . . . 97 GLU CG . 15039 1 985 . 1 1 97 97 GLU N N 15 114.473 0.400 . 1 . . . . 97 GLU N . 15039 1 986 . 1 1 98 98 LYS H H 1 7.428 0.020 . 1 . . . . 98 LYS H . 15039 1 987 . 1 1 98 98 LYS HA H 1 3.800 0.020 . 1 . . . . 98 LYS HA . 15039 1 988 . 1 1 98 98 LYS HB2 H 1 1.372 0.020 . 2 . . . . 98 LYS HB2 . 15039 1 989 . 1 1 98 98 LYS HB3 H 1 1.126 0.020 . 2 . . . . 98 LYS HB3 . 15039 1 990 . 1 1 98 98 LYS HG2 H 1 2.174 0.020 . 2 . . . . 98 LYS HG2 . 15039 1 991 . 1 1 98 98 LYS HD2 H 1 1.322 0.020 . 2 . . . . 98 LYS HD2 . 15039 1 992 . 1 1 98 98 LYS HD3 H 1 0.944 0.020 . 2 . . . . 98 LYS HD3 . 15039 1 993 . 1 1 98 98 LYS CA C 13 59.360 0.400 . 1 . . . . 98 LYS CA . 15039 1 994 . 1 1 98 98 LYS CB C 13 31.565 0.400 . 1 . . . . 98 LYS CB . 15039 1 995 . 1 1 98 98 LYS CD C 13 24.844 0.400 . 1 . . . . 98 LYS CD . 15039 1 996 . 1 1 98 98 LYS N N 15 120.043 0.400 . 1 . . . . 98 LYS N . 15039 1 997 . 1 1 99 99 PHE H H 1 7.977 0.020 . 1 . . . . 99 PHE H . 15039 1 998 . 1 1 99 99 PHE HA H 1 3.979 0.020 . 1 . . . . 99 PHE HA . 15039 1 999 . 1 1 99 99 PHE HB2 H 1 2.504 0.020 . 2 . . . . 99 PHE HB2 . 15039 1 1000 . 1 1 99 99 PHE HB3 H 1 3.335 0.020 . 2 . . . . 99 PHE HB3 . 15039 1 1001 . 1 1 99 99 PHE HD1 H 1 6.913 0.020 . 1 . . . . 99 PHE HD1 . 15039 1 1002 . 1 1 99 99 PHE HD2 H 1 6.913 0.020 . 1 . . . . 99 PHE HD2 . 15039 1 1003 . 1 1 99 99 PHE HE1 H 1 6.354 0.020 . 1 . . . . 99 PHE HE1 . 15039 1 1004 . 1 1 99 99 PHE HE2 H 1 6.354 0.020 . 1 . . . . 99 PHE HE2 . 15039 1 1005 . 1 1 99 99 PHE HZ H 1 7.154 0.020 . 1 . . . . 99 PHE HZ . 15039 1 1006 . 1 1 99 99 PHE CA C 13 62.485 0.400 . 1 . . . . 99 PHE CA . 15039 1 1007 . 1 1 99 99 PHE CB C 13 36.940 0.400 . 1 . . . . 99 PHE CB . 15039 1 1008 . 1 1 99 99 PHE N N 15 114.873 0.400 . 1 . . . . 99 PHE N . 15039 1 1009 . 1 1 100 100 LYS H H 1 8.038 0.020 . 1 . . . . 100 LYS H . 15039 1 1010 . 1 1 100 100 LYS HA H 1 4.755 0.020 . 1 . . . . 100 LYS HA . 15039 1 1011 . 1 1 100 100 LYS HE2 H 1 2.692 0.020 . 2 . . . . 100 LYS HE2 . 15039 1 1012 . 1 1 100 100 LYS HE3 H 1 2.539 0.020 . 2 . . . . 100 LYS HE3 . 15039 1 1013 . 1 1 100 100 LYS CA C 13 59.829 0.400 . 1 . . . . 100 LYS CA . 15039 1 1014 . 1 1 100 100 LYS CB C 13 32.395 0.400 . 1 . . . . 100 LYS CB . 15039 1 1015 . 1 1 100 100 LYS CE C 13 42.770 0.400 . 1 . . . . 100 LYS CE . 15039 1 1016 . 1 1 100 100 LYS N N 15 122.325 0.400 . 1 . . . . 100 LYS N . 15039 1 1017 . 1 1 101 101 ASN H H 1 8.240 0.020 . 1 . . . . 101 ASN H . 15039 1 1018 . 1 1 101 101 ASN HA H 1 4.592 0.020 . 1 . . . . 101 ASN HA . 15039 1 1019 . 1 1 101 101 ASN HB2 H 1 3.245 0.020 . 2 . . . . 101 ASN HB2 . 15039 1 1020 . 1 1 101 101 ASN HB3 H 1 2.949 0.020 . 2 . . . . 101 ASN HB3 . 15039 1 1021 . 1 1 101 101 ASN HD21 H 1 7.303 0.020 . 2 . . . . 101 ASN HD21 . 15039 1 1022 . 1 1 101 101 ASN HD22 H 1 7.026 0.020 . 2 . . . . 101 ASN HD22 . 15039 1 1023 . 1 1 101 101 ASN CA C 13 55.123 0.400 . 1 . . . . 101 ASN CA . 15039 1 1024 . 1 1 101 101 ASN CB C 13 38.098 0.400 . 1 . . . . 101 ASN CB . 15039 1 1025 . 1 1 101 101 ASN N N 15 117.649 0.400 . 1 . . . . 101 ASN N . 15039 1 1026 . 1 1 101 101 ASN ND2 N 15 112.448 0.400 . 1 . . . . 101 ASN ND2 . 15039 1 1027 . 1 1 102 102 LYS H H 1 7.535 0.020 . 1 . . . . 102 LYS H . 15039 1 1028 . 1 1 102 102 LYS HA H 1 4.628 0.020 . 1 . . . . 102 LYS HA . 15039 1 1029 . 1 1 102 102 LYS CA C 13 56.149 0.400 . 1 . . . . 102 LYS CA . 15039 1 1030 . 1 1 102 102 LYS CB C 13 33.258 0.400 . 1 . . . . 102 LYS CB . 15039 1 1031 . 1 1 102 102 LYS N N 15 117.674 0.400 . 1 . . . . 102 LYS N . 15039 1 1032 . 1 1 103 103 GLY H H 1 7.665 0.020 . 1 . . . . 103 GLY H . 15039 1 1033 . 1 1 103 103 GLY HA2 H 1 4.074 0.020 . 2 . . . . 103 GLY HA2 . 15039 1 1034 . 1 1 103 103 GLY HA3 H 1 3.743 0.020 . 2 . . . . 103 GLY HA3 . 15039 1 1035 . 1 1 103 103 GLY CA C 13 45.565 0.400 . 1 . . . . 103 GLY CA . 15039 1 1036 . 1 1 103 103 GLY N N 15 105.411 0.400 . 1 . . . . 103 GLY N . 15039 1 1037 . 1 1 104 104 PHE H H 1 7.470 0.020 . 1 . . . . 104 PHE H . 15039 1 1038 . 1 1 104 104 PHE HA H 1 4.324 0.020 . 1 . . . . 104 PHE HA . 15039 1 1039 . 1 1 104 104 PHE HB2 H 1 2.640 0.020 . 2 . . . . 104 PHE HB2 . 15039 1 1040 . 1 1 104 104 PHE HB3 H 1 2.393 0.020 . 2 . . . . 104 PHE HB3 . 15039 1 1041 . 1 1 104 104 PHE HD1 H 1 7.043 0.020 . 1 . . . . 104 PHE HD1 . 15039 1 1042 . 1 1 104 104 PHE HD2 H 1 7.043 0.020 . 1 . . . . 104 PHE HD2 . 15039 1 1043 . 1 1 104 104 PHE CA C 13 58.698 0.400 . 1 . . . . 104 PHE CA . 15039 1 1044 . 1 1 104 104 PHE CB C 13 39.407 0.400 . 1 . . . . 104 PHE CB . 15039 1 1045 . 1 1 104 104 PHE N N 15 116.783 0.400 . 1 . . . . 104 PHE N . 15039 1 1046 . 1 1 105 105 LYS H H 1 8.395 0.020 . 1 . . . . 105 LYS H . 15039 1 1047 . 1 1 105 105 LYS HA H 1 4.513 0.020 . 1 . . . . 105 LYS HA . 15039 1 1048 . 1 1 105 105 LYS HB2 H 1 1.887 0.020 . 1 . . . . 105 LYS HB2 . 15039 1 1049 . 1 1 105 105 LYS HB3 H 1 1.887 0.020 . 1 . . . . 105 LYS HB3 . 15039 1 1050 . 1 1 105 105 LYS HG2 H 1 1.536 0.020 . 2 . . . . 105 LYS HG2 . 15039 1 1051 . 1 1 105 105 LYS HG3 H 1 1.624 0.020 . 2 . . . . 105 LYS HG3 . 15039 1 1052 . 1 1 105 105 LYS HD2 H 1 1.531 0.020 . 2 . . . . 105 LYS HD2 . 15039 1 1053 . 1 1 105 105 LYS HD3 H 1 1.341 0.020 . 2 . . . . 105 LYS HD3 . 15039 1 1054 . 1 1 105 105 LYS HE2 H 1 1.352 0.020 . 1 . . . . 105 LYS HE2 . 15039 1 1055 . 1 1 105 105 LYS CA C 13 56.116 0.400 . 1 . . . . 105 LYS CA . 15039 1 1056 . 1 1 105 105 LYS CB C 13 32.611 0.400 . 1 . . . . 105 LYS CB . 15039 1 1057 . 1 1 105 105 LYS CG C 13 24.960 0.400 . 1 . . . . 105 LYS CG . 15039 1 1058 . 1 1 105 105 LYS N N 15 123.454 0.400 . 1 . . . . 105 LYS N . 15039 1 1059 . 1 1 106 106 VAL H H 1 8.556 0.020 . 1 . . . . 106 VAL H . 15039 1 1060 . 1 1 106 106 VAL HA H 1 4.816 0.020 . 1 . . . . 106 VAL HA . 15039 1 1061 . 1 1 106 106 VAL HB H 1 1.796 0.020 . 1 . . . . 106 VAL HB . 15039 1 1062 . 1 1 106 106 VAL HG11 H 1 0.874 0.020 . 2 . . . . 106 VAL HG1 . 15039 1 1063 . 1 1 106 106 VAL HG12 H 1 0.874 0.020 . 2 . . . . 106 VAL HG1 . 15039 1 1064 . 1 1 106 106 VAL HG13 H 1 0.874 0.020 . 2 . . . . 106 VAL HG1 . 15039 1 1065 . 1 1 106 106 VAL HG21 H 1 0.654 0.020 . 2 . . . . 106 VAL HG2 . 15039 1 1066 . 1 1 106 106 VAL HG22 H 1 0.654 0.020 . 2 . . . . 106 VAL HG2 . 15039 1 1067 . 1 1 106 106 VAL HG23 H 1 0.654 0.020 . 2 . . . . 106 VAL HG2 . 15039 1 1068 . 1 1 106 106 VAL CA C 13 61.533 0.400 . 1 . . . . 106 VAL CA . 15039 1 1069 . 1 1 106 106 VAL CB C 13 34.602 0.400 . 1 . . . . 106 VAL CB . 15039 1 1070 . 1 1 106 106 VAL CG1 C 13 21.700 0.400 . 1 . . . . 106 VAL CG1 . 15039 1 1071 . 1 1 106 106 VAL CG2 C 13 21.235 0.400 . 1 . . . . 106 VAL CG2 . 15039 1 1072 . 1 1 106 106 VAL N N 15 126.707 0.400 . 1 . . . . 106 VAL N . 15039 1 1073 . 1 1 107 107 GLU H H 1 8.683 0.020 . 1 . . . . 107 GLU H . 15039 1 1074 . 1 1 107 107 GLU HA H 1 4.798 0.020 . 1 . . . . 107 GLU HA . 15039 1 1075 . 1 1 107 107 GLU HB2 H 1 2.015 0.020 . 2 . . . . 107 GLU HB2 . 15039 1 1076 . 1 1 107 107 GLU HB3 H 1 1.909 0.020 . 2 . . . . 107 GLU HB3 . 15039 1 1077 . 1 1 107 107 GLU HG2 H 1 2.203 0.020 . 1 . . . . 107 GLU HG2 . 15039 1 1078 . 1 1 107 107 GLU HG3 H 1 2.203 0.020 . 1 . . . . 107 GLU HG3 . 15039 1 1079 . 1 1 107 107 GLU CA C 13 54.591 0.400 . 1 . . . . 107 GLU CA . 15039 1 1080 . 1 1 107 107 GLU CB C 13 32.080 0.400 . 1 . . . . 107 GLU CB . 15039 1 1081 . 1 1 107 107 GLU CG C 13 35.939 0.400 . 1 . . . . 107 GLU CG . 15039 1 1082 . 1 1 107 107 GLU N N 15 128.754 0.400 . 1 . . . . 107 GLU N . 15039 1 1083 . 1 1 108 108 THR H H 1 8.668 0.020 . 1 . . . . 108 THR H . 15039 1 1084 . 1 1 108 108 THR HA H 1 5.240 0.020 . 1 . . . . 108 THR HA . 15039 1 1085 . 1 1 108 108 THR HB H 1 3.967 0.020 . 1 . . . . 108 THR HB . 15039 1 1086 . 1 1 108 108 THR HG21 H 1 1.027 0.020 . 1 . . . . 108 THR HG2 . 15039 1 1087 . 1 1 108 108 THR HG22 H 1 1.027 0.020 . 1 . . . . 108 THR HG2 . 15039 1 1088 . 1 1 108 108 THR HG23 H 1 1.027 0.020 . 1 . . . . 108 THR HG2 . 15039 1 1089 . 1 1 108 108 THR CA C 13 59.429 0.400 . 1 . . . . 108 THR CA . 15039 1 1090 . 1 1 108 108 THR CB C 13 71.564 0.400 . 1 . . . . 108 THR CB . 15039 1 1091 . 1 1 108 108 THR CG2 C 13 21.592 0.400 . 1 . . . . 108 THR CG2 . 15039 1 1092 . 1 1 108 108 THR N N 15 114.082 0.400 . 1 . . . . 108 THR N . 15039 1 1093 . 1 1 109 109 ASP H H 1 8.610 0.020 . 1 . . . . 109 ASP H . 15039 1 1094 . 1 1 109 109 ASP HA H 1 4.806 0.020 . 1 . . . . 109 ASP HA . 15039 1 1095 . 1 1 109 109 ASP HB2 H 1 2.794 0.020 . 2 . . . . 109 ASP HB2 . 15039 1 1096 . 1 1 109 109 ASP HB3 H 1 2.600 0.020 . 2 . . . . 109 ASP HB3 . 15039 1 1097 . 1 1 109 109 ASP CA C 13 53.488 0.400 . 1 . . . . 109 ASP CA . 15039 1 1098 . 1 1 109 109 ASP CB C 13 41.795 0.400 . 1 . . . . 109 ASP CB . 15039 1 1099 . 1 1 109 109 ASP N N 15 123.043 0.400 . 1 . . . . 109 ASP N . 15039 1 1100 . 1 1 110 110 MET H H 1 8.636 0.020 . 1 . . . . 110 MET H . 15039 1 1101 . 1 1 110 110 MET HA H 1 5.059 0.020 . 1 . . . . 110 MET HA . 15039 1 1102 . 1 1 110 110 MET HB2 H 1 1.976 0.020 . 2 . . . . 110 MET HB2 . 15039 1 1103 . 1 1 110 110 MET HB3 H 1 2.166 0.020 . 2 . . . . 110 MET HB3 . 15039 1 1104 . 1 1 110 110 MET HG2 H 1 2.462 0.020 . 2 . . . . 110 MET HG2 . 15039 1 1105 . 1 1 110 110 MET HG3 H 1 2.636 0.020 . 2 . . . . 110 MET HG3 . 15039 1 1106 . 1 1 110 110 MET CA C 13 53.355 0.400 . 1 . . . . 110 MET CA . 15039 1 1107 . 1 1 110 110 MET CB C 13 32.447 0.400 . 1 . . . . 110 MET CB . 15039 1 1108 . 1 1 110 110 MET N N 15 121.217 0.400 . 1 . . . . 110 MET N . 15039 1 stop_ save_