data_16072 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16072 _Entry.Title ; Solution NMR structure of SSP0047 from Staphylococcus saprophyticus. Northeast Structural Genomics Consortium Target SyR6. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-19 _Entry.Accession_date 2008-12-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Theresa Ramelot . A. . 16072 2 Keyang Ding . . . 16072 3 Chen Chen . X. . 16072 4 Mei Jiang . . . 16072 5 Colleen Ciccosanti . . . 16072 6 Rong Xiao . . . 16072 7 Jinfeng Liu . . . 16072 8 Michael Baran . C. . 16072 9 G.V.T. Swapna . . . 16072 10 Thomas Acton . B. . 16072 11 Burkhard Rost . . . 16072 12 Gaetano Montelione . T. . 16072 13 Michael Kennedy . A. . 16072 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' . 16072 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha beta' . 16072 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16072 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 547 16072 '15N chemical shifts' 120 16072 '1H chemical shifts' 858 16072 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-06-02 2008-12-19 update BMRB 'edit entity/assembly name' 16072 2 . . 2009-06-03 2008-12-19 update BMRB 'added time domain data' 16072 1 . . 2009-02-17 2008-12-19 original author 'original release' 16072 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KCD 'BMRB Entry Tracking System' 16072 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16072 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of SSP0047 from Staphylococcus saprophyticus. Northeast Structural Genomics Consortium Target SyR6.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Theresa Ramelot . A. . 16072 1 2 Keyang Ding . . . 16072 1 3 Chen Chen . X. . 16072 1 4 Mei Jiang . . . 16072 1 5 Colleen Ciccosanti . . . 16072 1 6 Rong Xiao . . . 16072 1 7 Jinfeng Liu . . . 16072 1 8 Michael Baran . C. . 16072 1 9 G.V.T. Swapna . . . 16072 1 10 Thomas Acton . B. . 16072 1 11 Burkhard Rost . . . 16072 1 12 Gaetano Montelione . T. . 16072 1 13 Michael Kennedy . A. . 16072 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16072 _Assembly.ID 1 _Assembly.Name SSP0047 _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 no _Assembly.Thiol_state . _Assembly.Molecular_mass 13320 _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 SSP0047 1 $protein A . yes native no no . . . 16072 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein _Entity.Sf_category entity _Entity.Sf_framecode protein _Entity.Entry_ID 16072 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SSP0047 _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 ; MTLELQLKHYITNLFNLPRD EKWECESIEEVADDILPDQY VRLGPLSNKILQTNTYYSDT LHKSNIYPFILYYQKQLIAI GFIDENHDMDFLYLHNTVMP LLDQRYLLTGGQLEHHHHHH ; _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 120 _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 13320 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SWS Q4A134_STAS1 . SSP0047 . . . . . . . . . . . . . . 16072 1 2 yes UNP Q4A134 . SSP0047 . . . . . . . . . . . . . . 16072 1 3 no PDB 2KCD . "Solution Nmr Structure Of Ssp0047 From Staphylococcus Saprophyticus. Northeast Structural Genomics Consortium Target Syr6" . . . . . 100.00 120 100.00 100.00 3.47e-81 . . . . 16072 1 4 no DBJ BAE17192 . "hypothetical protein [Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305]" . . . . . 93.33 112 100.00 100.00 5.26e-75 . . . . 16072 1 5 no REF WP_011302049 . "hypothetical protein [Staphylococcus saprophyticus]" . . . . . 93.33 112 100.00 100.00 5.26e-75 . . . . 16072 1 6 no REF WP_053041968 . "hypothetical protein [Staphylococcus haemolyticus]" . . . . . 93.33 112 99.11 100.00 1.15e-74 . . . . 16072 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 . 16072 1 2 . THR . 16072 1 3 . LEU . 16072 1 4 . GLU . 16072 1 5 . LEU . 16072 1 6 . GLN . 16072 1 7 . LEU . 16072 1 8 . LYS . 16072 1 9 . HIS . 16072 1 10 . TYR . 16072 1 11 . ILE . 16072 1 12 . THR . 16072 1 13 . ASN . 16072 1 14 . LEU . 16072 1 15 . PHE . 16072 1 16 . ASN . 16072 1 17 . LEU . 16072 1 18 . PRO . 16072 1 19 . ARG . 16072 1 20 . ASP . 16072 1 21 . GLU . 16072 1 22 . LYS . 16072 1 23 . TRP . 16072 1 24 . GLU . 16072 1 25 . CYS . 16072 1 26 . GLU . 16072 1 27 . SER . 16072 1 28 . ILE . 16072 1 29 . GLU . 16072 1 30 . GLU . 16072 1 31 . VAL . 16072 1 32 . ALA . 16072 1 33 . ASP . 16072 1 34 . ASP . 16072 1 35 . ILE . 16072 1 36 . LEU . 16072 1 37 . PRO . 16072 1 38 . ASP . 16072 1 39 . GLN . 16072 1 40 . TYR . 16072 1 41 . VAL . 16072 1 42 . ARG . 16072 1 43 . LEU . 16072 1 44 . GLY . 16072 1 45 . PRO . 16072 1 46 . LEU . 16072 1 47 . SER . 16072 1 48 . ASN . 16072 1 49 . LYS . 16072 1 50 . ILE . 16072 1 51 . LEU . 16072 1 52 . GLN . 16072 1 53 . THR . 16072 1 54 . ASN . 16072 1 55 . THR . 16072 1 56 . TYR . 16072 1 57 . TYR . 16072 1 58 . SER . 16072 1 59 . ASP . 16072 1 60 . THR . 16072 1 61 . LEU . 16072 1 62 . HIS . 16072 1 63 . LYS . 16072 1 64 . SER . 16072 1 65 . ASN . 16072 1 66 . ILE . 16072 1 67 . TYR . 16072 1 68 . PRO . 16072 1 69 . PHE . 16072 1 70 . ILE . 16072 1 71 . LEU . 16072 1 72 . TYR . 16072 1 73 . TYR . 16072 1 74 . GLN . 16072 1 75 . LYS . 16072 1 76 . GLN . 16072 1 77 . LEU . 16072 1 78 . ILE . 16072 1 79 . ALA . 16072 1 80 . ILE . 16072 1 81 . GLY . 16072 1 82 . PHE . 16072 1 83 . ILE . 16072 1 84 . ASP . 16072 1 85 . GLU . 16072 1 86 . ASN . 16072 1 87 . HIS . 16072 1 88 . ASP . 16072 1 89 . MET . 16072 1 90 . ASP . 16072 1 91 . PHE . 16072 1 92 . LEU . 16072 1 93 . TYR . 16072 1 94 . LEU . 16072 1 95 . HIS . 16072 1 96 . ASN . 16072 1 97 . THR . 16072 1 98 . VAL . 16072 1 99 . MET . 16072 1 100 . PRO . 16072 1 101 . LEU . 16072 1 102 . LEU . 16072 1 103 . ASP . 16072 1 104 . GLN . 16072 1 105 . ARG . 16072 1 106 . TYR . 16072 1 107 . LEU . 16072 1 108 . LEU . 16072 1 109 . THR . 16072 1 110 . GLY . 16072 1 111 . GLY . 16072 1 112 . GLN . 16072 1 113 . LEU . 16072 1 114 . GLU . 16072 1 115 . HIS . 16072 1 116 . HIS . 16072 1 117 . HIS . 16072 1 118 . HIS . 16072 1 119 . HIS . 16072 1 120 . HIS . 16072 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 16072 1 . THR 2 2 16072 1 . LEU 3 3 16072 1 . GLU 4 4 16072 1 . LEU 5 5 16072 1 . GLN 6 6 16072 1 . LEU 7 7 16072 1 . LYS 8 8 16072 1 . HIS 9 9 16072 1 . TYR 10 10 16072 1 . ILE 11 11 16072 1 . THR 12 12 16072 1 . ASN 13 13 16072 1 . LEU 14 14 16072 1 . PHE 15 15 16072 1 . ASN 16 16 16072 1 . LEU 17 17 16072 1 . PRO 18 18 16072 1 . ARG 19 19 16072 1 . ASP 20 20 16072 1 . GLU 21 21 16072 1 . LYS 22 22 16072 1 . TRP 23 23 16072 1 . GLU 24 24 16072 1 . CYS 25 25 16072 1 . GLU 26 26 16072 1 . SER 27 27 16072 1 . ILE 28 28 16072 1 . GLU 29 29 16072 1 . GLU 30 30 16072 1 . VAL 31 31 16072 1 . ALA 32 32 16072 1 . ASP 33 33 16072 1 . ASP 34 34 16072 1 . ILE 35 35 16072 1 . LEU 36 36 16072 1 . PRO 37 37 16072 1 . ASP 38 38 16072 1 . GLN 39 39 16072 1 . TYR 40 40 16072 1 . VAL 41 41 16072 1 . ARG 42 42 16072 1 . LEU 43 43 16072 1 . GLY 44 44 16072 1 . PRO 45 45 16072 1 . LEU 46 46 16072 1 . SER 47 47 16072 1 . ASN 48 48 16072 1 . LYS 49 49 16072 1 . ILE 50 50 16072 1 . LEU 51 51 16072 1 . GLN 52 52 16072 1 . THR 53 53 16072 1 . ASN 54 54 16072 1 . THR 55 55 16072 1 . TYR 56 56 16072 1 . TYR 57 57 16072 1 . SER 58 58 16072 1 . ASP 59 59 16072 1 . THR 60 60 16072 1 . LEU 61 61 16072 1 . HIS 62 62 16072 1 . LYS 63 63 16072 1 . SER 64 64 16072 1 . ASN 65 65 16072 1 . ILE 66 66 16072 1 . TYR 67 67 16072 1 . PRO 68 68 16072 1 . PHE 69 69 16072 1 . ILE 70 70 16072 1 . LEU 71 71 16072 1 . TYR 72 72 16072 1 . TYR 73 73 16072 1 . GLN 74 74 16072 1 . LYS 75 75 16072 1 . GLN 76 76 16072 1 . LEU 77 77 16072 1 . ILE 78 78 16072 1 . ALA 79 79 16072 1 . ILE 80 80 16072 1 . GLY 81 81 16072 1 . PHE 82 82 16072 1 . ILE 83 83 16072 1 . ASP 84 84 16072 1 . GLU 85 85 16072 1 . ASN 86 86 16072 1 . HIS 87 87 16072 1 . ASP 88 88 16072 1 . MET 89 89 16072 1 . ASP 90 90 16072 1 . PHE 91 91 16072 1 . LEU 92 92 16072 1 . TYR 93 93 16072 1 . LEU 94 94 16072 1 . HIS 95 95 16072 1 . ASN 96 96 16072 1 . THR 97 97 16072 1 . VAL 98 98 16072 1 . MET 99 99 16072 1 . PRO 100 100 16072 1 . LEU 101 101 16072 1 . LEU 102 102 16072 1 . ASP 103 103 16072 1 . GLN 104 104 16072 1 . ARG 105 105 16072 1 . TYR 106 106 16072 1 . LEU 107 107 16072 1 . LEU 108 108 16072 1 . THR 109 109 16072 1 . GLY 110 110 16072 1 . GLY 111 111 16072 1 . GLN 112 112 16072 1 . LEU 113 113 16072 1 . GLU 114 114 16072 1 . HIS 115 115 16072 1 . HIS 116 116 16072 1 . HIS 117 117 16072 1 . HIS 118 118 16072 1 . HIS 119 119 16072 1 . HIS 120 120 16072 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 16072 _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 $protein . 29385 organism . 'Staphylococcus saprophyticus' 'Staphylococcus saprophyticus' . . Bacteria . Staphylococcus saprophyticus . . . . . . . . . . . . . . . . SSP0047 . 'uncharacterized protein' . . 16072 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 16072 _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 $protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pMGK' . . . . . . . . . . . . . . . pET21 . . . . . . 16072 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 16072 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'slow precipitator' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16072 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 10 . . . 16072 1 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 16072 1 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16072 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16072 1 6 protein '[U-100% 13C; U-100% 15N]' . . 1 $protein . . 0.3 . . mM 0.05 . . . 16072 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16072 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16072 1 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 16072 _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 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16072 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 16072 2 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 16072 2 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16072 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16072 2 6 protein '[U-100% 13C; U-100% 15N]' . . 1 $protein . . 0.3 . . mM 0.05 . . . 16072 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16072 2 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 16072 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'slow precipitator' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16072 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 10 . . . 16072 3 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 16072 3 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16072 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16072 3 6 protein '[U-5% 13C; U-100% 15N]' . . 1 $protein . . 0.3 . . mM 0.05 . . . 16072 3 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16072 3 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16072 3 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 16072 _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 5 mM 16072 1 pH 6.5 0.1 pH 16072 1 pressure 1 . atm 16072 1 temperature 273 0.5 K 16072 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16072 _Software.ID 1 _Software.Name NMRPipe _Software.Version linux9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16072 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16072 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16072 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16072 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16072 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16072 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16072 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16072 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16072 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16072 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16072 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16072 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16072 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16072 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16072 _Software.ID 6 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16072 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16072 6 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16072 _Software.ID 7 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16072 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 16072 7 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16072 _Software.ID 8 _Software.Name AutoAssign _Software.Version 2.3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16072 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16072 8 stop_ save_ save_PDBStat _Software.Sf_category software _Software.Sf_framecode PDBStat _Software.Entry_ID 16072 _Software.ID 9 _Software.Name PDBStat _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PDBStat) R. Tejero, G.T. Montelione' . . 16072 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16072 9 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 16072 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16072 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16072 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 16072 _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 Varian INOVA . 600 . . . 16072 1 2 spectrometer_2 Varian INOVA . 750 . . . 16072 1 3 spectrometer_3 Bruker AvanceIII . 850 . . . 16072 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 16072 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes 1 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16072 1 2 '2D 1H-13C HSQC' yes 2 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16072 1 3 '3D 1H-15N NOESY' yes 3 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16072 1 4 '3D 1H-13C NOESY' yes 4 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16072 1 5 '4D 1H-13C NOESY' yes 5 . . . . . . . . . 2 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 6 '3D HNCO' yes 6 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 7 '3D 1H-13C NOESY' yes 7 . . . . . . . . . 2 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16072 1 8 '3D HNCA' yes 8 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 9 '3D HN(CO)CA' yes 9 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 10 '3D CBCA(CO)NH' yes 10 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 11 '3D HNCACB' yes 11 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 12 '3D C(CO)NH' yes 12 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 13 '3D HBHA(CO)NH' yes 13 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 14 '3D HCCH-TOCSY' yes 14 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 15 '3D HCCH-COSY' yes 15 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 1 16 '2D 1H-15N HSQC' yes 16 . . . . . . . . . 2 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16072 1 17 '2D 1H-13C HSQC' yes 17 . . . . . . . . . 2 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16072 1 18 '2D 1H-13C HSQC' yes 18 . . . . . . . . . 3 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16072 1 19 '3D CBCACOCAHA' yes 19 . . . . . . . . . 2 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16072 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 16072 _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 $entry_citation . . 1 $entry_citation 16072 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16072 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16072 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 16072 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16072 1 3 '3D 1H-15N NOESY' . . . 16072 1 4 '3D 1H-13C NOESY' . . . 16072 1 6 '3D HNCO' . . . 16072 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 6 $SPARKY . . 16072 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 2 2 THR HA H 1 4.30 0.02 . 1 . . . . 2 THR HA . 16072 1 2 . 1 1 2 2 THR HB H 1 4.62 0.02 . 1 . . . . 2 THR HB . 16072 1 3 . 1 1 2 2 THR HG21 H 1 1.32 0.02 . 1 . . . . 2 THR HG2 . 16072 1 4 . 1 1 2 2 THR HG22 H 1 1.32 0.02 . 1 . . . . 2 THR HG2 . 16072 1 5 . 1 1 2 2 THR HG23 H 1 1.32 0.02 . 1 . . . . 2 THR HG2 . 16072 1 6 . 1 1 2 2 THR C C 13 174.8 0.2 . 1 . . . . 2 THR C . 16072 1 7 . 1 1 2 2 THR CA C 13 61.1 0.2 . 1 . . . . 2 THR CA . 16072 1 8 . 1 1 2 2 THR CB C 13 70.4 0.2 . 1 . . . . 2 THR CB . 16072 1 9 . 1 1 2 2 THR CG2 C 13 21.9 0.2 . 1 . . . . 2 THR CG2 . 16072 1 10 . 1 1 3 3 LEU H H 1 8.76 0.02 . 1 . . . . 3 LEU H . 16072 1 11 . 1 1 3 3 LEU HA H 1 4.11 0.02 . 1 . . . . 3 LEU HA . 16072 1 12 . 1 1 3 3 LEU HB2 H 1 1.61 0.02 . 2 . . . . 3 LEU HB2 . 16072 1 13 . 1 1 3 3 LEU HB3 H 1 1.68 0.02 . 2 . . . . 3 LEU HB3 . 16072 1 14 . 1 1 3 3 LEU HD11 H 1 0.90 0.02 . 2 . . . . 3 LEU HD1 . 16072 1 15 . 1 1 3 3 LEU HD12 H 1 0.90 0.02 . 2 . . . . 3 LEU HD1 . 16072 1 16 . 1 1 3 3 LEU HD13 H 1 0.90 0.02 . 2 . . . . 3 LEU HD1 . 16072 1 17 . 1 1 3 3 LEU HD21 H 1 0.92 0.02 . 2 . . . . 3 LEU HD2 . 16072 1 18 . 1 1 3 3 LEU HD22 H 1 0.92 0.02 . 2 . . . . 3 LEU HD2 . 16072 1 19 . 1 1 3 3 LEU HD23 H 1 0.92 0.02 . 2 . . . . 3 LEU HD2 . 16072 1 20 . 1 1 3 3 LEU HG H 1 1.58 0.02 . 1 . . . . 3 LEU HG . 16072 1 21 . 1 1 3 3 LEU C C 13 178.3 0.2 . 1 . . . . 3 LEU C . 16072 1 22 . 1 1 3 3 LEU CA C 13 57.8 0.2 . 1 . . . . 3 LEU CA . 16072 1 23 . 1 1 3 3 LEU CB C 13 41.6 0.2 . 1 . . . . 3 LEU CB . 16072 1 24 . 1 1 3 3 LEU CD1 C 13 23.7 0.02 . 2 . . . . 3 LEU CD1 . 16072 1 25 . 1 1 3 3 LEU CD2 C 13 25.5 0.02 . 2 . . . . 3 LEU CD2 . 16072 1 26 . 1 1 3 3 LEU CG C 13 27.1 0.2 . 1 . . . . 3 LEU CG . 16072 1 27 . 1 1 3 3 LEU N N 15 123.6 0.2 . 1 . . . . 3 LEU N . 16072 1 28 . 1 1 4 4 GLU H H 1 8.74 0.02 . 1 . . . . 4 GLU H . 16072 1 29 . 1 1 4 4 GLU HA H 1 3.67 0.02 . 1 . . . . 4 GLU HA . 16072 1 30 . 1 1 4 4 GLU HB2 H 1 1.92 0.02 . 2 . . . . 4 GLU HB2 . 16072 1 31 . 1 1 4 4 GLU HB3 H 1 2.06 0.02 . 2 . . . . 4 GLU HB3 . 16072 1 32 . 1 1 4 4 GLU HG2 H 1 2.14 0.02 . 2 . . . . 4 GLU HG2 . 16072 1 33 . 1 1 4 4 GLU HG3 H 1 2.14 0.02 . 2 . . . . 4 GLU HG3 . 16072 1 34 . 1 1 4 4 GLU C C 13 177.9 0.2 . 1 . . . . 4 GLU C . 16072 1 35 . 1 1 4 4 GLU CA C 13 60.0 0.2 . 1 . . . . 4 GLU CA . 16072 1 36 . 1 1 4 4 GLU CB C 13 29.2 0.2 . 1 . . . . 4 GLU CB . 16072 1 37 . 1 1 4 4 GLU CG C 13 36.4 0.2 . 1 . . . . 4 GLU CG . 16072 1 38 . 1 1 4 4 GLU N N 15 116.5 0.2 . 1 . . . . 4 GLU N . 16072 1 39 . 1 1 5 5 LEU H H 1 7.34 0.02 . 1 . . . . 5 LEU H . 16072 1 40 . 1 1 5 5 LEU HA H 1 3.90 0.02 . 1 . . . . 5 LEU HA . 16072 1 41 . 1 1 5 5 LEU HB2 H 1 1.43 0.02 . 2 . . . . 5 LEU HB2 . 16072 1 42 . 1 1 5 5 LEU HB3 H 1 1.65 0.02 . 2 . . . . 5 LEU HB3 . 16072 1 43 . 1 1 5 5 LEU HD11 H 1 0.82 0.02 . 1 . . . . 5 LEU HD1 . 16072 1 44 . 1 1 5 5 LEU HD12 H 1 0.82 0.02 . 1 . . . . 5 LEU HD1 . 16072 1 45 . 1 1 5 5 LEU HD13 H 1 0.82 0.02 . 1 . . . . 5 LEU HD1 . 16072 1 46 . 1 1 5 5 LEU HD21 H 1 0.73 0.02 . 1 . . . . 5 LEU HD2 . 16072 1 47 . 1 1 5 5 LEU HD22 H 1 0.73 0.02 . 1 . . . . 5 LEU HD2 . 16072 1 48 . 1 1 5 5 LEU HD23 H 1 0.73 0.02 . 1 . . . . 5 LEU HD2 . 16072 1 49 . 1 1 5 5 LEU HG H 1 1.41 0.02 . 1 . . . . 5 LEU HG . 16072 1 50 . 1 1 5 5 LEU C C 13 178.9 0.2 . 1 . . . . 5 LEU C . 16072 1 51 . 1 1 5 5 LEU CA C 13 56.9 0.2 . 1 . . . . 5 LEU CA . 16072 1 52 . 1 1 5 5 LEU CB C 13 41.2 0.2 . 1 . . . . 5 LEU CB . 16072 1 53 . 1 1 5 5 LEU CD1 C 13 24.6 0.02 . 1 . . . . 5 LEU CD1 . 16072 1 54 . 1 1 5 5 LEU CD2 C 13 23.3 0.02 . 1 . . . . 5 LEU CD2 . 16072 1 55 . 1 1 5 5 LEU CG C 13 27.0 0.2 . 1 . . . . 5 LEU CG . 16072 1 56 . 1 1 5 5 LEU N N 15 120.5 0.2 . 1 . . . . 5 LEU N . 16072 1 57 . 1 1 6 6 GLN H H 1 8.35 0.02 . 1 . . . . 6 GLN H . 16072 1 58 . 1 1 6 6 GLN HA H 1 3.97 0.02 . 1 . . . . 6 GLN HA . 16072 1 59 . 1 1 6 6 GLN HB2 H 1 2.04 0.02 . 2 . . . . 6 GLN HB2 . 16072 1 60 . 1 1 6 6 GLN HB3 H 1 2.04 0.02 . 2 . . . . 6 GLN HB3 . 16072 1 61 . 1 1 6 6 GLN HG2 H 1 2.25 0.02 . 2 . . . . 6 GLN HG2 . 16072 1 62 . 1 1 6 6 GLN HG3 H 1 2.36 0.02 . 2 . . . . 6 GLN HG3 . 16072 1 63 . 1 1 6 6 GLN C C 13 179.7 0.2 . 1 . . . . 6 GLN C . 16072 1 64 . 1 1 6 6 GLN CA C 13 59.1 0.2 . 1 . . . . 6 GLN CA . 16072 1 65 . 1 1 6 6 GLN CB C 13 29.1 0.2 . 1 . . . . 6 GLN CB . 16072 1 66 . 1 1 6 6 GLN CG C 13 34.5 0.2 . 1 . . . . 6 GLN CG . 16072 1 67 . 1 1 6 6 GLN N N 15 120.8 0.2 . 1 . . . . 6 GLN N . 16072 1 68 . 1 1 7 7 LEU H H 1 8.62 0.02 . 1 . . . . 7 LEU H . 16072 1 69 . 1 1 7 7 LEU HA H 1 4.01 0.02 . 1 . . . . 7 LEU HA . 16072 1 70 . 1 1 7 7 LEU HB2 H 1 1.24 0.02 . 2 . . . . 7 LEU HB2 . 16072 1 71 . 1 1 7 7 LEU HB3 H 1 2.03 0.02 . 2 . . . . 7 LEU HB3 . 16072 1 72 . 1 1 7 7 LEU HD11 H 1 0.96 0.02 . 1 . . . . 7 LEU HD1 . 16072 1 73 . 1 1 7 7 LEU HD12 H 1 0.96 0.02 . 1 . . . . 7 LEU HD1 . 16072 1 74 . 1 1 7 7 LEU HD13 H 1 0.96 0.02 . 1 . . . . 7 LEU HD1 . 16072 1 75 . 1 1 7 7 LEU HD21 H 1 0.95 0.02 . 1 . . . . 7 LEU HD2 . 16072 1 76 . 1 1 7 7 LEU HD22 H 1 0.95 0.02 . 1 . . . . 7 LEU HD2 . 16072 1 77 . 1 1 7 7 LEU HD23 H 1 0.95 0.02 . 1 . . . . 7 LEU HD2 . 16072 1 78 . 1 1 7 7 LEU HG H 1 1.57 0.02 . 1 . . . . 7 LEU HG . 16072 1 79 . 1 1 7 7 LEU C C 13 176.9 0.2 . 1 . . . . 7 LEU C . 16072 1 80 . 1 1 7 7 LEU CA C 13 57.8 0.2 . 1 . . . . 7 LEU CA . 16072 1 81 . 1 1 7 7 LEU CB C 13 41.7 0.2 . 1 . . . . 7 LEU CB . 16072 1 82 . 1 1 7 7 LEU CD1 C 13 22.5 0.02 . 1 . . . . 7 LEU CD1 . 16072 1 83 . 1 1 7 7 LEU CD2 C 13 26.7 0.02 . 1 . . . . 7 LEU CD2 . 16072 1 84 . 1 1 7 7 LEU CG C 13 27.2 0.2 . 1 . . . . 7 LEU CG . 16072 1 85 . 1 1 7 7 LEU N N 15 121.0 0.2 . 1 . . . . 7 LEU N . 16072 1 86 . 1 1 8 8 LYS H H 1 7.75 0.02 . 1 . . . . 8 LYS H . 16072 1 87 . 1 1 8 8 LYS HA H 1 3.57 0.02 . 1 . . . . 8 LYS HA . 16072 1 88 . 1 1 8 8 LYS HB2 H 1 0.80 0.02 . 2 . . . . 8 LYS HB2 . 16072 1 89 . 1 1 8 8 LYS HB3 H 1 1.37 0.02 . 2 . . . . 8 LYS HB3 . 16072 1 90 . 1 1 8 8 LYS HD2 H 1 0.50 0.02 . 2 . . . . 8 LYS HD2 . 16072 1 91 . 1 1 8 8 LYS HD3 H 1 0.91 0.02 . 2 . . . . 8 LYS HD3 . 16072 1 92 . 1 1 8 8 LYS HE2 H 1 1.67 0.02 . 2 . . . . 8 LYS HE2 . 16072 1 93 . 1 1 8 8 LYS HE3 H 1 2.02 0.02 . 2 . . . . 8 LYS HE3 . 16072 1 94 . 1 1 8 8 LYS HG2 H 1 0.36 0.02 . 2 . . . . 8 LYS HG2 . 16072 1 95 . 1 1 8 8 LYS HG3 H 1 -0.93 0.02 . 2 . . . . 8 LYS HG3 . 16072 1 96 . 1 1 8 8 LYS C C 13 179.4 0.2 . 1 . . . . 8 LYS C . 16072 1 97 . 1 1 8 8 LYS CA C 13 59.0 0.2 . 1 . . . . 8 LYS CA . 16072 1 98 . 1 1 8 8 LYS CB C 13 32.4 0.2 . 1 . . . . 8 LYS CB . 16072 1 99 . 1 1 8 8 LYS CD C 13 29.6 0.2 . 1 . . . . 8 LYS CD . 16072 1 100 . 1 1 8 8 LYS CE C 13 41.4 0.2 . 1 . . . . 8 LYS CE . 16072 1 101 . 1 1 8 8 LYS CG C 13 23.9 0.2 . 1 . . . . 8 LYS CG . 16072 1 102 . 1 1 8 8 LYS N N 15 119.7 0.2 . 1 . . . . 8 LYS N . 16072 1 103 . 1 1 9 9 HIS H H 1 8.52 0.02 . 1 . . . . 9 HIS H . 16072 1 104 . 1 1 9 9 HIS HA H 1 4.05 0.02 . 1 . . . . 9 HIS HA . 16072 1 105 . 1 1 9 9 HIS HB2 H 1 3.13 0.02 . 2 . . . . 9 HIS HB2 . 16072 1 106 . 1 1 9 9 HIS HB3 H 1 3.13 0.02 . 2 . . . . 9 HIS HB3 . 16072 1 107 . 1 1 9 9 HIS C C 13 176.5 0.2 . 1 . . . . 9 HIS C . 16072 1 108 . 1 1 9 9 HIS CA C 13 59.4 0.2 . 1 . . . . 9 HIS CA . 16072 1 109 . 1 1 9 9 HIS CB C 13 29.9 0.2 . 1 . . . . 9 HIS CB . 16072 1 110 . 1 1 9 9 HIS N N 15 120.5 0.2 . 1 . . . . 9 HIS N . 16072 1 111 . 1 1 10 10 TYR H H 1 7.99 0.02 . 1 . . . . 10 TYR H . 16072 1 112 . 1 1 10 10 TYR HA H 1 4.16 0.02 . 1 . . . . 10 TYR HA . 16072 1 113 . 1 1 10 10 TYR HB2 H 1 2.99 0.02 . 2 . . . . 10 TYR HB2 . 16072 1 114 . 1 1 10 10 TYR HB3 H 1 3.27 0.02 . 2 . . . . 10 TYR HB3 . 16072 1 115 . 1 1 10 10 TYR HD1 H 1 6.93 0.02 . 3 . . . . 10 TYR HD1 . 16072 1 116 . 1 1 10 10 TYR HD2 H 1 6.93 0.02 . 3 . . . . 10 TYR HD2 . 16072 1 117 . 1 1 10 10 TYR HE1 H 1 6.69 0.02 . 3 . . . . 10 TYR HE1 . 16072 1 118 . 1 1 10 10 TYR HE2 H 1 6.69 0.02 . 3 . . . . 10 TYR HE2 . 16072 1 119 . 1 1 10 10 TYR C C 13 177.4 0.2 . 1 . . . . 10 TYR C . 16072 1 120 . 1 1 10 10 TYR CA C 13 61.8 0.2 . 1 . . . . 10 TYR CA . 16072 1 121 . 1 1 10 10 TYR CB C 13 39.5 0.2 . 1 . . . . 10 TYR CB . 16072 1 122 . 1 1 10 10 TYR CD1 C 13 132.4 0.02 . 3 . . . . 10 TYR CD1 . 16072 1 123 . 1 1 10 10 TYR CD2 C 13 132.4 0.02 . 3 . . . . 10 TYR CD2 . 16072 1 124 . 1 1 10 10 TYR CE1 C 13 118.5 0.02 . 3 . . . . 10 TYR CE1 . 16072 1 125 . 1 1 10 10 TYR CE2 C 13 118.5 0.02 . 3 . . . . 10 TYR CE2 . 16072 1 126 . 1 1 10 10 TYR N N 15 119.2 0.2 . 1 . . . . 10 TYR N . 16072 1 127 . 1 1 11 11 ILE H H 1 8.71 0.02 . 1 . . . . 11 ILE H . 16072 1 128 . 1 1 11 11 ILE HA H 1 3.54 0.02 . 1 . . . . 11 ILE HA . 16072 1 129 . 1 1 11 11 ILE HB H 1 2.47 0.02 . 1 . . . . 11 ILE HB . 16072 1 130 . 1 1 11 11 ILE HD11 H 1 0.58 0.02 . 1 . . . . 11 ILE HD1 . 16072 1 131 . 1 1 11 11 ILE HD12 H 1 0.58 0.02 . 1 . . . . 11 ILE HD1 . 16072 1 132 . 1 1 11 11 ILE HD13 H 1 0.58 0.02 . 1 . . . . 11 ILE HD1 . 16072 1 133 . 1 1 11 11 ILE HG12 H 1 1.42 0.02 . 2 . . . . 11 ILE HG12 . 16072 1 134 . 1 1 11 11 ILE HG13 H 1 2.03 0.02 . 2 . . . . 11 ILE HG13 . 16072 1 135 . 1 1 11 11 ILE HG21 H 1 0.90 0.02 . 1 . . . . 11 ILE HG2 . 16072 1 136 . 1 1 11 11 ILE HG22 H 1 0.90 0.02 . 1 . . . . 11 ILE HG2 . 16072 1 137 . 1 1 11 11 ILE HG23 H 1 0.90 0.02 . 1 . . . . 11 ILE HG2 . 16072 1 138 . 1 1 11 11 ILE CA C 13 61.6 0.2 . 1 . . . . 11 ILE CA . 16072 1 139 . 1 1 11 11 ILE CB C 13 36.2 0.2 . 1 . . . . 11 ILE CB . 16072 1 140 . 1 1 11 11 ILE CD1 C 13 9.4 0.2 . 1 . . . . 11 ILE CD1 . 16072 1 141 . 1 1 11 11 ILE CG1 C 13 27.7 0.2 . 1 . . . . 11 ILE CG1 . 16072 1 142 . 1 1 11 11 ILE CG2 C 13 17.2 0.2 . 1 . . . . 11 ILE CG2 . 16072 1 143 . 1 1 11 11 ILE N N 15 118.9 0.2 . 1 . . . . 11 ILE N . 16072 1 144 . 1 1 12 12 THR HA H 1 3.84 0.02 . 1 . . . . 12 THR HA . 16072 1 145 . 1 1 12 12 THR HB H 1 4.17 0.02 . 1 . . . . 12 THR HB . 16072 1 146 . 1 1 12 12 THR HG21 H 1 1.26 0.02 . 1 . . . . 12 THR HG2 . 16072 1 147 . 1 1 12 12 THR HG22 H 1 1.26 0.02 . 1 . . . . 12 THR HG2 . 16072 1 148 . 1 1 12 12 THR HG23 H 1 1.26 0.02 . 1 . . . . 12 THR HG2 . 16072 1 149 . 1 1 12 12 THR C C 13 176.9 0.2 . 1 . . . . 12 THR C . 16072 1 150 . 1 1 12 12 THR CA C 13 66.4 0.2 . 1 . . . . 12 THR CA . 16072 1 151 . 1 1 12 12 THR CB C 13 68.3 0.2 . 1 . . . . 12 THR CB . 16072 1 152 . 1 1 12 12 THR CG2 C 13 22.3 0.2 . 1 . . . . 12 THR CG2 . 16072 1 153 . 1 1 13 13 ASN H H 1 7.44 0.02 . 1 . . . . 13 ASN H . 16072 1 154 . 1 1 13 13 ASN HA H 1 4.42 0.02 . 1 . . . . 13 ASN HA . 16072 1 155 . 1 1 13 13 ASN HB2 H 1 2.58 0.02 . 2 . . . . 13 ASN HB2 . 16072 1 156 . 1 1 13 13 ASN HB3 H 1 2.69 0.02 . 2 . . . . 13 ASN HB3 . 16072 1 157 . 1 1 13 13 ASN HD21 H 1 7.55 0.02 . 1 . . . . 13 ASN HD21 . 16072 1 158 . 1 1 13 13 ASN HD22 H 1 6.66 0.02 . 1 . . . . 13 ASN HD22 . 16072 1 159 . 1 1 13 13 ASN C C 13 176.7 0.2 . 1 . . . . 13 ASN C . 16072 1 160 . 1 1 13 13 ASN CA C 13 55.9 0.2 . 1 . . . . 13 ASN CA . 16072 1 161 . 1 1 13 13 ASN CB C 13 38.6 0.2 . 1 . . . . 13 ASN CB . 16072 1 162 . 1 1 13 13 ASN CG C 13 176.2 0.2 . 1 . . . . 13 ASN CG . 16072 1 163 . 1 1 13 13 ASN N N 15 118.3 0.2 . 1 . . . . 13 ASN N . 16072 1 164 . 1 1 13 13 ASN ND2 N 15 113.3 0.2 . 1 . . . . 13 ASN ND2 . 16072 1 165 . 1 1 14 14 LEU H H 1 7.89 0.02 . 1 . . . . 14 LEU H . 16072 1 166 . 1 1 14 14 LEU HA H 1 3.66 0.02 . 1 . . . . 14 LEU HA . 16072 1 167 . 1 1 14 14 LEU HB2 H 1 0.72 0.02 . 2 . . . . 14 LEU HB2 . 16072 1 168 . 1 1 14 14 LEU HB3 H 1 1.04 0.02 . 2 . . . . 14 LEU HB3 . 16072 1 169 . 1 1 14 14 LEU HD11 H 1 0.48 0.02 . 1 . . . . 14 LEU HD1 . 16072 1 170 . 1 1 14 14 LEU HD12 H 1 0.48 0.02 . 1 . . . . 14 LEU HD1 . 16072 1 171 . 1 1 14 14 LEU HD13 H 1 0.48 0.02 . 1 . . . . 14 LEU HD1 . 16072 1 172 . 1 1 14 14 LEU HD21 H 1 0.36 0.02 . 1 . . . . 14 LEU HD2 . 16072 1 173 . 1 1 14 14 LEU HD22 H 1 0.36 0.02 . 1 . . . . 14 LEU HD2 . 16072 1 174 . 1 1 14 14 LEU HD23 H 1 0.36 0.02 . 1 . . . . 14 LEU HD2 . 16072 1 175 . 1 1 14 14 LEU HG H 1 0.17 0.02 . 1 . . . . 14 LEU HG . 16072 1 176 . 1 1 14 14 LEU C C 13 177.9 0.2 . 1 . . . . 14 LEU C . 16072 1 177 . 1 1 14 14 LEU CA C 13 57.6 0.2 . 1 . . . . 14 LEU CA . 16072 1 178 . 1 1 14 14 LEU CB C 13 42.6 0.2 . 1 . . . . 14 LEU CB . 16072 1 179 . 1 1 14 14 LEU CD1 C 13 22.5 0.02 . 1 . . . . 14 LEU CD1 . 16072 1 180 . 1 1 14 14 LEU CD2 C 13 25.9 0.02 . 1 . . . . 14 LEU CD2 . 16072 1 181 . 1 1 14 14 LEU CG C 13 25.9 0.2 . 1 . . . . 14 LEU CG . 16072 1 182 . 1 1 14 14 LEU N N 15 122.1 0.2 . 1 . . . . 14 LEU N . 16072 1 183 . 1 1 15 15 PHE H H 1 7.67 0.02 . 1 . . . . 15 PHE H . 16072 1 184 . 1 1 15 15 PHE HA H 1 4.49 0.02 . 1 . . . . 15 PHE HA . 16072 1 185 . 1 1 15 15 PHE HB2 H 1 2.36 0.02 . 2 . . . . 15 PHE HB2 . 16072 1 186 . 1 1 15 15 PHE HB3 H 1 3.28 0.02 . 2 . . . . 15 PHE HB3 . 16072 1 187 . 1 1 15 15 PHE HD1 H 1 7.14 0.02 . 3 . . . . 15 PHE HD1 . 16072 1 188 . 1 1 15 15 PHE HD2 H 1 7.14 0.02 . 3 . . . . 15 PHE HD2 . 16072 1 189 . 1 1 15 15 PHE HE1 H 1 6.74 0.02 . 3 . . . . 15 PHE HE1 . 16072 1 190 . 1 1 15 15 PHE HE2 H 1 6.74 0.02 . 3 . . . . 15 PHE HE2 . 16072 1 191 . 1 1 15 15 PHE C C 13 173.8 0.2 . 1 . . . . 15 PHE C . 16072 1 192 . 1 1 15 15 PHE CA C 13 57.9 0.2 . 1 . . . . 15 PHE CA . 16072 1 193 . 1 1 15 15 PHE CB C 13 38.9 0.2 . 1 . . . . 15 PHE CB . 16072 1 194 . 1 1 15 15 PHE CD1 C 13 131.1 0.02 . 3 . . . . 15 PHE CD1 . 16072 1 195 . 1 1 15 15 PHE CD2 C 13 131.1 0.02 . 3 . . . . 15 PHE CD2 . 16072 1 196 . 1 1 15 15 PHE CE1 C 13 131.2 0.02 . 3 . . . . 15 PHE CE1 . 16072 1 197 . 1 1 15 15 PHE CE2 C 13 131.2 0.02 . 3 . . . . 15 PHE CE2 . 16072 1 198 . 1 1 15 15 PHE N N 15 111.8 0.2 . 1 . . . . 15 PHE N . 16072 1 199 . 1 1 16 16 ASN H H 1 7.45 0.02 . 1 . . . . 16 ASN H . 16072 1 200 . 1 1 16 16 ASN HA H 1 4.42 0.02 . 1 . . . . 16 ASN HA . 16072 1 201 . 1 1 16 16 ASN HB2 H 1 2.59 0.02 . 2 . . . . 16 ASN HB2 . 16072 1 202 . 1 1 16 16 ASN HB3 H 1 3.12 0.02 . 2 . . . . 16 ASN HB3 . 16072 1 203 . 1 1 16 16 ASN HD21 H 1 7.54 0.02 . 1 . . . . 16 ASN HD21 . 16072 1 204 . 1 1 16 16 ASN HD22 H 1 6.73 0.02 . 1 . . . . 16 ASN HD22 . 16072 1 205 . 1 1 16 16 ASN C C 13 174.2 0.2 . 1 . . . . 16 ASN C . 16072 1 206 . 1 1 16 16 ASN CA C 13 54.1 0.2 . 1 . . . . 16 ASN CA . 16072 1 207 . 1 1 16 16 ASN CB C 13 36.5 0.2 . 1 . . . . 16 ASN CB . 16072 1 208 . 1 1 16 16 ASN CG C 13 178.3 0.2 . 1 . . . . 16 ASN CG . 16072 1 209 . 1 1 16 16 ASN N N 15 118.5 0.2 . 1 . . . . 16 ASN N . 16072 1 210 . 1 1 16 16 ASN ND2 N 15 112.0 0.2 . 1 . . . . 16 ASN ND2 . 16072 1 211 . 1 1 17 17 LEU H H 1 8.41 0.02 . 1 . . . . 17 LEU H . 16072 1 212 . 1 1 17 17 LEU HA H 1 4.63 0.02 . 1 . . . . 17 LEU HA . 16072 1 213 . 1 1 17 17 LEU HB2 H 1 1.41 0.02 . 2 . . . . 17 LEU HB2 . 16072 1 214 . 1 1 17 17 LEU HB3 H 1 1.81 0.02 . 2 . . . . 17 LEU HB3 . 16072 1 215 . 1 1 17 17 LEU HD11 H 1 0.79 0.02 . 1 . . . . 17 LEU HD1 . 16072 1 216 . 1 1 17 17 LEU HD12 H 1 0.79 0.02 . 1 . . . . 17 LEU HD1 . 16072 1 217 . 1 1 17 17 LEU HD13 H 1 0.79 0.02 . 1 . . . . 17 LEU HD1 . 16072 1 218 . 1 1 17 17 LEU HD21 H 1 0.67 0.02 . 1 . . . . 17 LEU HD2 . 16072 1 219 . 1 1 17 17 LEU HD22 H 1 0.67 0.02 . 1 . . . . 17 LEU HD2 . 16072 1 220 . 1 1 17 17 LEU HD23 H 1 0.67 0.02 . 1 . . . . 17 LEU HD2 . 16072 1 221 . 1 1 17 17 LEU HG H 1 1.53 0.02 . 1 . . . . 17 LEU HG . 16072 1 222 . 1 1 17 17 LEU CA C 13 52.3 0.2 . 1 . . . . 17 LEU CA . 16072 1 223 . 1 1 17 17 LEU CB C 13 41.0 0.2 . 1 . . . . 17 LEU CB . 16072 1 224 . 1 1 17 17 LEU CD1 C 13 26.3 0.02 . 1 . . . . 17 LEU CD1 . 16072 1 225 . 1 1 17 17 LEU CD2 C 13 21.5 0.02 . 1 . . . . 17 LEU CD2 . 16072 1 226 . 1 1 17 17 LEU CG C 13 26.7 0.2 . 1 . . . . 17 LEU CG . 16072 1 227 . 1 1 17 17 LEU N N 15 118.7 0.2 . 1 . . . . 17 LEU N . 16072 1 228 . 1 1 18 18 PRO HA H 1 4.38 0.02 . 1 . . . . 18 PRO HA . 16072 1 229 . 1 1 18 18 PRO HB2 H 1 1.92 0.02 . 2 . . . . 18 PRO HB2 . 16072 1 230 . 1 1 18 18 PRO HB3 H 1 2.33 0.02 . 2 . . . . 18 PRO HB3 . 16072 1 231 . 1 1 18 18 PRO HD2 H 1 3.59 0.02 . 2 . . . . 18 PRO HD2 . 16072 1 232 . 1 1 18 18 PRO HD3 H 1 3.80 0.02 . 2 . . . . 18 PRO HD3 . 16072 1 233 . 1 1 18 18 PRO HG2 H 1 2.03 0.02 . 2 . . . . 18 PRO HG2 . 16072 1 234 . 1 1 18 18 PRO HG3 H 1 2.11 0.02 . 2 . . . . 18 PRO HG3 . 16072 1 235 . 1 1 18 18 PRO C C 13 178.6 0.2 . 1 . . . . 18 PRO C . 16072 1 236 . 1 1 18 18 PRO CA C 13 63.1 0.2 . 1 . . . . 18 PRO CA . 16072 1 237 . 1 1 18 18 PRO CB C 13 31.8 0.2 . 1 . . . . 18 PRO CB . 16072 1 238 . 1 1 18 18 PRO CD C 13 50.3 0.2 . 1 . . . . 18 PRO CD . 16072 1 239 . 1 1 18 18 PRO CG C 13 28.0 0.2 . 1 . . . . 18 PRO CG . 16072 1 240 . 1 1 19 19 ARG H H 1 8.65 0.02 . 1 . . . . 19 ARG H . 16072 1 241 . 1 1 19 19 ARG HA H 1 3.82 0.02 . 1 . . . . 19 ARG HA . 16072 1 242 . 1 1 19 19 ARG HB2 H 1 1.72 0.02 . 2 . . . . 19 ARG HB2 . 16072 1 243 . 1 1 19 19 ARG HB3 H 1 1.77 0.02 . 2 . . . . 19 ARG HB3 . 16072 1 244 . 1 1 19 19 ARG HD2 H 1 3.10 0.02 . 2 . . . . 19 ARG HD2 . 16072 1 245 . 1 1 19 19 ARG HD3 H 1 3.10 0.02 . 2 . . . . 19 ARG HD3 . 16072 1 246 . 1 1 19 19 ARG HG2 H 1 1.63 0.02 . 2 . . . . 19 ARG HG2 . 16072 1 247 . 1 1 19 19 ARG HG3 H 1 1.63 0.02 . 2 . . . . 19 ARG HG3 . 16072 1 248 . 1 1 19 19 ARG C C 13 176.5 0.2 . 1 . . . . 19 ARG C . 16072 1 249 . 1 1 19 19 ARG CA C 13 58.1 0.2 . 1 . . . . 19 ARG CA . 16072 1 250 . 1 1 19 19 ARG CB C 13 30.3 0.2 . 1 . . . . 19 ARG CB . 16072 1 251 . 1 1 19 19 ARG CD C 13 42.5 0.2 . 1 . . . . 19 ARG CD . 16072 1 252 . 1 1 19 19 ARG CG C 13 27.3 0.2 . 1 . . . . 19 ARG CG . 16072 1 253 . 1 1 19 19 ARG N N 15 124.6 0.2 . 1 . . . . 19 ARG N . 16072 1 254 . 1 1 20 20 ASP H H 1 8.39 0.02 . 1 . . . . 20 ASP H . 16072 1 255 . 1 1 20 20 ASP HA H 1 4.55 0.02 . 1 . . . . 20 ASP HA . 16072 1 256 . 1 1 20 20 ASP HB2 H 1 2.64 0.02 . 2 . . . . 20 ASP HB2 . 16072 1 257 . 1 1 20 20 ASP HB3 H 1 2.64 0.02 . 2 . . . . 20 ASP HB3 . 16072 1 258 . 1 1 20 20 ASP C C 13 175.7 0.2 . 1 . . . . 20 ASP C . 16072 1 259 . 1 1 20 20 ASP CA C 13 53.0 0.2 . 1 . . . . 20 ASP CA . 16072 1 260 . 1 1 20 20 ASP CB C 13 40.4 0.2 . 1 . . . . 20 ASP CB . 16072 1 261 . 1 1 20 20 ASP N N 15 114.3 0.2 . 1 . . . . 20 ASP N . 16072 1 262 . 1 1 21 21 GLU H H 1 6.78 0.02 . 1 . . . . 21 GLU H . 16072 1 263 . 1 1 21 21 GLU HA H 1 4.15 0.02 . 1 . . . . 21 GLU HA . 16072 1 264 . 1 1 21 21 GLU HB2 H 1 1.98 0.02 . 2 . . . . 21 GLU HB2 . 16072 1 265 . 1 1 21 21 GLU HB3 H 1 2.21 0.02 . 2 . . . . 21 GLU HB3 . 16072 1 266 . 1 1 21 21 GLU HG2 H 1 2.43 0.02 . 2 . . . . 21 GLU HG2 . 16072 1 267 . 1 1 21 21 GLU HG3 H 1 2.65 0.02 . 2 . . . . 21 GLU HG3 . 16072 1 268 . 1 1 21 21 GLU C C 13 175.4 0.2 . 1 . . . . 21 GLU C . 16072 1 269 . 1 1 21 21 GLU CA C 13 56.2 0.2 . 1 . . . . 21 GLU CA . 16072 1 270 . 1 1 21 21 GLU CB C 13 31.6 0.2 . 1 . . . . 21 GLU CB . 16072 1 271 . 1 1 21 21 GLU CG C 13 36.5 0.2 . 1 . . . . 21 GLU CG . 16072 1 272 . 1 1 21 21 GLU N N 15 121.6 0.2 . 1 . . . . 21 GLU N . 16072 1 273 . 1 1 22 22 LYS H H 1 8.86 0.02 . 1 . . . . 22 LYS H . 16072 1 274 . 1 1 22 22 LYS HA H 1 4.16 0.02 . 1 . . . . 22 LYS HA . 16072 1 275 . 1 1 22 22 LYS HB2 H 1 1.87 0.02 . 2 . . . . 22 LYS HB2 . 16072 1 276 . 1 1 22 22 LYS HB3 H 1 1.87 0.02 . 2 . . . . 22 LYS HB3 . 16072 1 277 . 1 1 22 22 LYS HD2 H 1 1.68 0.02 . 2 . . . . 22 LYS HD2 . 16072 1 278 . 1 1 22 22 LYS HD3 H 1 1.73 0.02 . 2 . . . . 22 LYS HD3 . 16072 1 279 . 1 1 22 22 LYS HE2 H 1 3.01 0.02 . 2 . . . . 22 LYS HE2 . 16072 1 280 . 1 1 22 22 LYS HE3 H 1 3.01 0.02 . 2 . . . . 22 LYS HE3 . 16072 1 281 . 1 1 22 22 LYS HG2 H 1 1.35 0.02 . 2 . . . . 22 LYS HG2 . 16072 1 282 . 1 1 22 22 LYS HG3 H 1 1.46 0.02 . 2 . . . . 22 LYS HG3 . 16072 1 283 . 1 1 22 22 LYS C C 13 176.1 0.2 . 1 . . . . 22 LYS C . 16072 1 284 . 1 1 22 22 LYS CA C 13 57.2 0.2 . 1 . . . . 22 LYS CA . 16072 1 285 . 1 1 22 22 LYS CB C 13 33.0 0.2 . 1 . . . . 22 LYS CB . 16072 1 286 . 1 1 22 22 LYS CD C 13 29.0 0.2 . 1 . . . . 22 LYS CD . 16072 1 287 . 1 1 22 22 LYS CE C 13 41.9 0.2 . 1 . . . . 22 LYS CE . 16072 1 288 . 1 1 22 22 LYS CG C 13 24.7 0.2 . 1 . . . . 22 LYS CG . 16072 1 289 . 1 1 22 22 LYS N N 15 128.9 0.2 . 1 . . . . 22 LYS N . 16072 1 290 . 1 1 23 23 TRP H H 1 8.75 0.02 . 1 . . . . 23 TRP H . 16072 1 291 . 1 1 23 23 TRP HA H 1 5.40 0.02 . 1 . . . . 23 TRP HA . 16072 1 292 . 1 1 23 23 TRP HB2 H 1 3.19 0.02 . 2 . . . . 23 TRP HB2 . 16072 1 293 . 1 1 23 23 TRP HB3 H 1 3.28 0.02 . 2 . . . . 23 TRP HB3 . 16072 1 294 . 1 1 23 23 TRP HD1 H 1 6.94 0.02 . 1 . . . . 23 TRP HD1 . 16072 1 295 . 1 1 23 23 TRP HE1 H 1 10.68 0.02 . 1 . . . . 23 TRP HE1 . 16072 1 296 . 1 1 23 23 TRP HE3 H 1 7.16 0.02 . 1 . . . . 23 TRP HE3 . 16072 1 297 . 1 1 23 23 TRP HH2 H 1 6.74 0.02 . 1 . . . . 23 TRP HH2 . 16072 1 298 . 1 1 23 23 TRP HZ2 H 1 7.05 0.02 . 1 . . . . 23 TRP HZ2 . 16072 1 299 . 1 1 23 23 TRP HZ3 H 1 6.32 0.02 . 1 . . . . 23 TRP HZ3 . 16072 1 300 . 1 1 23 23 TRP C C 13 176.5 0.2 . 1 . . . . 23 TRP C . 16072 1 301 . 1 1 23 23 TRP CA C 13 54.6 0.2 . 1 . . . . 23 TRP CA . 16072 1 302 . 1 1 23 23 TRP CB C 13 31.1 0.2 . 1 . . . . 23 TRP CB . 16072 1 303 . 1 1 23 23 TRP CD1 C 13 124.1 0.2 . 1 . . . . 23 TRP CD1 . 16072 1 304 . 1 1 23 23 TRP CE3 C 13 121.8 0.2 . 1 . . . . 23 TRP CE3 . 16072 1 305 . 1 1 23 23 TRP CH2 C 13 123.4 0.2 . 1 . . . . 23 TRP CH2 . 16072 1 306 . 1 1 23 23 TRP CZ2 C 13 113.8 0.2 . 1 . . . . 23 TRP CZ2 . 16072 1 307 . 1 1 23 23 TRP CZ3 C 13 119.0 0.2 . 1 . . . . 23 TRP CZ3 . 16072 1 308 . 1 1 23 23 TRP N N 15 126.1 0.2 . 1 . . . . 23 TRP N . 16072 1 309 . 1 1 23 23 TRP NE1 N 15 129.6 0.2 . 1 . . . . 23 TRP NE1 . 16072 1 310 . 1 1 24 24 GLU H H 1 9.04 0.02 . 1 . . . . 24 GLU H . 16072 1 311 . 1 1 24 24 GLU HA H 1 4.59 0.02 . 1 . . . . 24 GLU HA . 16072 1 312 . 1 1 24 24 GLU HB2 H 1 1.05 0.02 . 2 . . . . 24 GLU HB2 . 16072 1 313 . 1 1 24 24 GLU HB3 H 1 1.88 0.02 . 2 . . . . 24 GLU HB3 . 16072 1 314 . 1 1 24 24 GLU HG2 H 1 2.13 0.02 . 2 . . . . 24 GLU HG2 . 16072 1 315 . 1 1 24 24 GLU HG3 H 1 2.18 0.02 . 2 . . . . 24 GLU HG3 . 16072 1 316 . 1 1 24 24 GLU C C 13 174.1 0.2 . 1 . . . . 24 GLU C . 16072 1 317 . 1 1 24 24 GLU CA C 13 54.2 0.2 . 1 . . . . 24 GLU CA . 16072 1 318 . 1 1 24 24 GLU CB C 13 31.6 0.2 . 1 . . . . 24 GLU CB . 16072 1 319 . 1 1 24 24 GLU CG C 13 35.8 0.2 . 1 . . . . 24 GLU CG . 16072 1 320 . 1 1 24 24 GLU N N 15 122.7 0.2 . 1 . . . . 24 GLU N . 16072 1 321 . 1 1 25 25 CYS H H 1 8.74 0.02 . 1 . . . . 25 CYS H . 16072 1 322 . 1 1 25 25 CYS HA H 1 4.87 0.02 . 1 . . . . 25 CYS HA . 16072 1 323 . 1 1 25 25 CYS HB2 H 1 2.61 0.02 . 2 . . . . 25 CYS HB2 . 16072 1 324 . 1 1 25 25 CYS HB3 H 1 2.67 0.02 . 2 . . . . 25 CYS HB3 . 16072 1 325 . 1 1 25 25 CYS C C 13 174.4 0.2 . 1 . . . . 25 CYS C . 16072 1 326 . 1 1 25 25 CYS CA C 13 57.2 0.2 . 1 . . . . 25 CYS CA . 16072 1 327 . 1 1 25 25 CYS CB C 13 30.2 0.2 . 1 . . . . 25 CYS CB . 16072 1 328 . 1 1 25 25 CYS N N 15 119.9 0.2 . 1 . . . . 25 CYS N . 16072 1 329 . 1 1 26 26 GLU H H 1 9.22 0.02 . 1 . . . . 26 GLU H . 16072 1 330 . 1 1 26 26 GLU HA H 1 4.74 0.02 . 1 . . . . 26 GLU HA . 16072 1 331 . 1 1 26 26 GLU HB2 H 1 1.95 0.02 . 2 . . . . 26 GLU HB2 . 16072 1 332 . 1 1 26 26 GLU HB3 H 1 2.13 0.02 . 2 . . . . 26 GLU HB3 . 16072 1 333 . 1 1 26 26 GLU HG2 H 1 2.13 0.02 . 2 . . . . 26 GLU HG2 . 16072 1 334 . 1 1 26 26 GLU HG3 H 1 2.13 0.02 . 2 . . . . 26 GLU HG3 . 16072 1 335 . 1 1 26 26 GLU C C 13 175.0 0.2 . 1 . . . . 26 GLU C . 16072 1 336 . 1 1 26 26 GLU CA C 13 55.1 0.2 . 1 . . . . 26 GLU CA . 16072 1 337 . 1 1 26 26 GLU CB C 13 31.7 0.2 . 1 . . . . 26 GLU CB . 16072 1 338 . 1 1 26 26 GLU CG C 13 36.4 0.2 . 1 . . . . 26 GLU CG . 16072 1 339 . 1 1 26 26 GLU N N 15 131.2 0.2 . 1 . . . . 26 GLU N . 16072 1 340 . 1 1 27 27 SER H H 1 8.90 0.02 . 1 . . . . 27 SER H . 16072 1 341 . 1 1 27 27 SER HA H 1 5.75 0.02 . 1 . . . . 27 SER HA . 16072 1 342 . 1 1 27 27 SER HB2 H 1 3.62 0.02 . 2 . . . . 27 SER HB2 . 16072 1 343 . 1 1 27 27 SER HB3 H 1 3.84 0.02 . 2 . . . . 27 SER HB3 . 16072 1 344 . 1 1 27 27 SER C C 13 173.6 0.2 . 1 . . . . 27 SER C . 16072 1 345 . 1 1 27 27 SER CA C 13 56.7 0.2 . 1 . . . . 27 SER CA . 16072 1 346 . 1 1 27 27 SER CB C 13 64.2 0.2 . 1 . . . . 27 SER CB . 16072 1 347 . 1 1 27 27 SER N N 15 125.1 0.2 . 1 . . . . 27 SER N . 16072 1 348 . 1 1 28 28 ILE H H 1 8.54 0.02 . 1 . . . . 28 ILE H . 16072 1 349 . 1 1 28 28 ILE HA H 1 4.68 0.02 . 1 . . . . 28 ILE HA . 16072 1 350 . 1 1 28 28 ILE HB H 1 1.86 0.02 . 1 . . . . 28 ILE HB . 16072 1 351 . 1 1 28 28 ILE HD11 H 1 0.79 0.02 . 1 . . . . 28 ILE HD1 . 16072 1 352 . 1 1 28 28 ILE HD12 H 1 0.79 0.02 . 1 . . . . 28 ILE HD1 . 16072 1 353 . 1 1 28 28 ILE HD13 H 1 0.79 0.02 . 1 . . . . 28 ILE HD1 . 16072 1 354 . 1 1 28 28 ILE HG12 H 1 1.06 0.02 . 2 . . . . 28 ILE HG12 . 16072 1 355 . 1 1 28 28 ILE HG13 H 1 1.28 0.02 . 2 . . . . 28 ILE HG13 . 16072 1 356 . 1 1 28 28 ILE HG21 H 1 0.86 0.02 . 1 . . . . 28 ILE HG2 . 16072 1 357 . 1 1 28 28 ILE HG22 H 1 0.86 0.02 . 1 . . . . 28 ILE HG2 . 16072 1 358 . 1 1 28 28 ILE HG23 H 1 0.86 0.02 . 1 . . . . 28 ILE HG2 . 16072 1 359 . 1 1 28 28 ILE C C 13 174.1 0.2 . 1 . . . . 28 ILE C . 16072 1 360 . 1 1 28 28 ILE CA C 13 59.8 0.2 . 1 . . . . 28 ILE CA . 16072 1 361 . 1 1 28 28 ILE CB C 13 42.7 0.2 . 1 . . . . 28 ILE CB . 16072 1 362 . 1 1 28 28 ILE CD1 C 13 13.6 0.2 . 1 . . . . 28 ILE CD1 . 16072 1 363 . 1 1 28 28 ILE CG1 C 13 26.5 0.2 . 1 . . . . 28 ILE CG1 . 16072 1 364 . 1 1 28 28 ILE CG2 C 13 17.7 0.2 . 1 . . . . 28 ILE CG2 . 16072 1 365 . 1 1 28 28 ILE N N 15 123.2 0.2 . 1 . . . . 28 ILE N . 16072 1 366 . 1 1 29 29 GLU H H 1 8.43 0.02 . 1 . . . . 29 GLU H . 16072 1 367 . 1 1 29 29 GLU HA H 1 5.43 0.02 . 1 . . . . 29 GLU HA . 16072 1 368 . 1 1 29 29 GLU HB2 H 1 1.77 0.02 . 2 . . . . 29 GLU HB2 . 16072 1 369 . 1 1 29 29 GLU HB3 H 1 1.91 0.02 . 2 . . . . 29 GLU HB3 . 16072 1 370 . 1 1 29 29 GLU HG2 H 1 2.09 0.02 . 2 . . . . 29 GLU HG2 . 16072 1 371 . 1 1 29 29 GLU HG3 H 1 2.38 0.02 . 2 . . . . 29 GLU HG3 . 16072 1 372 . 1 1 29 29 GLU C C 13 176.0 0.2 . 1 . . . . 29 GLU C . 16072 1 373 . 1 1 29 29 GLU CA C 13 55.6 0.2 . 1 . . . . 29 GLU CA . 16072 1 374 . 1 1 29 29 GLU CB C 13 31.2 0.2 . 1 . . . . 29 GLU CB . 16072 1 375 . 1 1 29 29 GLU CG C 13 37.6 0.2 . 1 . . . . 29 GLU CG . 16072 1 376 . 1 1 29 29 GLU N N 15 123.9 0.2 . 1 . . . . 29 GLU N . 16072 1 377 . 1 1 30 30 GLU H H 1 8.85 0.02 . 1 . . . . 30 GLU H . 16072 1 378 . 1 1 30 30 GLU HA H 1 4.73 0.02 . 1 . . . . 30 GLU HA . 16072 1 379 . 1 1 30 30 GLU HB2 H 1 1.63 0.02 . 2 . . . . 30 GLU HB2 . 16072 1 380 . 1 1 30 30 GLU HB3 H 1 1.94 0.02 . 2 . . . . 30 GLU HB3 . 16072 1 381 . 1 1 30 30 GLU HG2 H 1 2.09 0.02 . 2 . . . . 30 GLU HG2 . 16072 1 382 . 1 1 30 30 GLU HG3 H 1 2.17 0.02 . 2 . . . . 30 GLU HG3 . 16072 1 383 . 1 1 30 30 GLU C C 13 174.3 0.2 . 1 . . . . 30 GLU C . 16072 1 384 . 1 1 30 30 GLU CA C 13 54.7 0.2 . 1 . . . . 30 GLU CA . 16072 1 385 . 1 1 30 30 GLU CB C 13 34.4 0.2 . 1 . . . . 30 GLU CB . 16072 1 386 . 1 1 30 30 GLU CG C 13 35.4 0.2 . 1 . . . . 30 GLU CG . 16072 1 387 . 1 1 30 30 GLU N N 15 121.9 0.2 . 1 . . . . 30 GLU N . 16072 1 388 . 1 1 31 31 VAL H H 1 9.26 0.02 . 1 . . . . 31 VAL H . 16072 1 389 . 1 1 31 31 VAL HA H 1 4.25 0.02 . 1 . . . . 31 VAL HA . 16072 1 390 . 1 1 31 31 VAL HB H 1 2.01 0.02 . 1 . . . . 31 VAL HB . 16072 1 391 . 1 1 31 31 VAL HG11 H 1 0.97 0.02 . 1 . . . . 31 VAL HG1 . 16072 1 392 . 1 1 31 31 VAL HG12 H 1 0.97 0.02 . 1 . . . . 31 VAL HG1 . 16072 1 393 . 1 1 31 31 VAL HG13 H 1 0.97 0.02 . 1 . . . . 31 VAL HG1 . 16072 1 394 . 1 1 31 31 VAL HG21 H 1 1.00 0.02 . 1 . . . . 31 VAL HG2 . 16072 1 395 . 1 1 31 31 VAL HG22 H 1 1.00 0.02 . 1 . . . . 31 VAL HG2 . 16072 1 396 . 1 1 31 31 VAL HG23 H 1 1.00 0.02 . 1 . . . . 31 VAL HG2 . 16072 1 397 . 1 1 31 31 VAL C C 13 177.7 0.2 . 1 . . . . 31 VAL C . 16072 1 398 . 1 1 31 31 VAL CA C 13 62.5 0.2 . 1 . . . . 31 VAL CA . 16072 1 399 . 1 1 31 31 VAL CB C 13 31.8 0.2 . 1 . . . . 31 VAL CB . 16072 1 400 . 1 1 31 31 VAL CG1 C 13 21.5 0.02 . 1 . . . . 31 VAL CG1 . 16072 1 401 . 1 1 31 31 VAL CG2 C 13 22.2 0.02 . 1 . . . . 31 VAL CG2 . 16072 1 402 . 1 1 31 31 VAL N N 15 124.5 0.2 . 1 . . . . 31 VAL N . 16072 1 403 . 1 1 32 32 ALA H H 1 9.25 0.02 . 1 . . . . 32 ALA H . 16072 1 404 . 1 1 32 32 ALA HA H 1 3.71 0.02 . 1 . . . . 32 ALA HA . 16072 1 405 . 1 1 32 32 ALA HB1 H 1 1.43 0.02 . 1 . . . . 32 ALA HB . 16072 1 406 . 1 1 32 32 ALA HB2 H 1 1.43 0.02 . 1 . . . . 32 ALA HB . 16072 1 407 . 1 1 32 32 ALA HB3 H 1 1.43 0.02 . 1 . . . . 32 ALA HB . 16072 1 408 . 1 1 32 32 ALA C C 13 178.6 0.2 . 1 . . . . 32 ALA C . 16072 1 409 . 1 1 32 32 ALA CA C 13 55.8 0.2 . 1 . . . . 32 ALA CA . 16072 1 410 . 1 1 32 32 ALA CB C 13 19.4 0.2 . 1 . . . . 32 ALA CB . 16072 1 411 . 1 1 32 32 ALA N N 15 129.9 0.2 . 1 . . . . 32 ALA N . 16072 1 412 . 1 1 33 33 ASP H H 1 9.51 0.02 . 1 . . . . 33 ASP H . 16072 1 413 . 1 1 33 33 ASP HA H 1 4.18 0.02 . 1 . . . . 33 ASP HA . 16072 1 414 . 1 1 33 33 ASP HB2 H 1 2.31 0.02 . 2 . . . . 33 ASP HB2 . 16072 1 415 . 1 1 33 33 ASP HB3 H 1 2.57 0.02 . 2 . . . . 33 ASP HB3 . 16072 1 416 . 1 1 33 33 ASP C C 13 176.3 0.2 . 1 . . . . 33 ASP C . 16072 1 417 . 1 1 33 33 ASP CA C 13 54.6 0.2 . 1 . . . . 33 ASP CA . 16072 1 418 . 1 1 33 33 ASP CB C 13 39.2 0.2 . 1 . . . . 33 ASP CB . 16072 1 419 . 1 1 33 33 ASP N N 15 110.7 0.2 . 1 . . . . 33 ASP N . 16072 1 420 . 1 1 34 34 ASP H H 1 7.83 0.02 . 1 . . . . 34 ASP H . 16072 1 421 . 1 1 34 34 ASP HA H 1 4.65 0.02 . 1 . . . . 34 ASP HA . 16072 1 422 . 1 1 34 34 ASP HB2 H 1 2.78 0.02 . 2 . . . . 34 ASP HB2 . 16072 1 423 . 1 1 34 34 ASP HB3 H 1 2.78 0.02 . 2 . . . . 34 ASP HB3 . 16072 1 424 . 1 1 34 34 ASP C C 13 176.3 0.2 . 1 . . . . 34 ASP C . 16072 1 425 . 1 1 34 34 ASP CA C 13 55.1 0.2 . 1 . . . . 34 ASP CA . 16072 1 426 . 1 1 34 34 ASP CB C 13 41.0 0.2 . 1 . . . . 34 ASP CB . 16072 1 427 . 1 1 34 34 ASP N N 15 114.7 0.2 . 1 . . . . 34 ASP N . 16072 1 428 . 1 1 35 35 ILE H H 1 7.29 0.02 . 1 . . . . 35 ILE H . 16072 1 429 . 1 1 35 35 ILE HA H 1 4.49 0.02 . 1 . . . . 35 ILE HA . 16072 1 430 . 1 1 35 35 ILE HB H 1 1.64 0.02 . 1 . . . . 35 ILE HB . 16072 1 431 . 1 1 35 35 ILE HD11 H 1 0.64 0.02 . 1 . . . . 35 ILE HD1 . 16072 1 432 . 1 1 35 35 ILE HD12 H 1 0.64 0.02 . 1 . . . . 35 ILE HD1 . 16072 1 433 . 1 1 35 35 ILE HD13 H 1 0.64 0.02 . 1 . . . . 35 ILE HD1 . 16072 1 434 . 1 1 35 35 ILE HG12 H 1 0.96 0.02 . 2 . . . . 35 ILE HG12 . 16072 1 435 . 1 1 35 35 ILE HG13 H 1 1.20 0.02 . 2 . . . . 35 ILE HG13 . 16072 1 436 . 1 1 35 35 ILE HG21 H 1 0.72 0.02 . 1 . . . . 35 ILE HG2 . 16072 1 437 . 1 1 35 35 ILE HG22 H 1 0.72 0.02 . 1 . . . . 35 ILE HG2 . 16072 1 438 . 1 1 35 35 ILE HG23 H 1 0.72 0.02 . 1 . . . . 35 ILE HG2 . 16072 1 439 . 1 1 35 35 ILE C C 13 174.1 0.2 . 1 . . . . 35 ILE C . 16072 1 440 . 1 1 35 35 ILE CA C 13 60.7 0.2 . 1 . . . . 35 ILE CA . 16072 1 441 . 1 1 35 35 ILE CB C 13 40.6 0.2 . 1 . . . . 35 ILE CB . 16072 1 442 . 1 1 35 35 ILE CD1 C 13 14.3 0.2 . 1 . . . . 35 ILE CD1 . 16072 1 443 . 1 1 35 35 ILE CG1 C 13 26.9 0.2 . 1 . . . . 35 ILE CG1 . 16072 1 444 . 1 1 35 35 ILE CG2 C 13 17.9 0.2 . 1 . . . . 35 ILE CG2 . 16072 1 445 . 1 1 35 35 ILE N N 15 113.4 0.2 . 1 . . . . 35 ILE N . 16072 1 446 . 1 1 36 36 LEU H H 1 7.73 0.02 . 1 . . . . 36 LEU H . 16072 1 447 . 1 1 36 36 LEU HA H 1 4.80 0.02 . 1 . . . . 36 LEU HA . 16072 1 448 . 1 1 36 36 LEU HB2 H 1 1.05 0.02 . 2 . . . . 36 LEU HB2 . 16072 1 449 . 1 1 36 36 LEU HB3 H 1 1.62 0.02 . 2 . . . . 36 LEU HB3 . 16072 1 450 . 1 1 36 36 LEU HD11 H 1 0.63 0.02 . 1 . . . . 36 LEU HD1 . 16072 1 451 . 1 1 36 36 LEU HD12 H 1 0.63 0.02 . 1 . . . . 36 LEU HD1 . 16072 1 452 . 1 1 36 36 LEU HD13 H 1 0.63 0.02 . 1 . . . . 36 LEU HD1 . 16072 1 453 . 1 1 36 36 LEU HD21 H 1 0.80 0.02 . 1 . . . . 36 LEU HD2 . 16072 1 454 . 1 1 36 36 LEU HD22 H 1 0.80 0.02 . 1 . . . . 36 LEU HD2 . 16072 1 455 . 1 1 36 36 LEU HD23 H 1 0.80 0.02 . 1 . . . . 36 LEU HD2 . 16072 1 456 . 1 1 36 36 LEU HG H 1 1.51 0.02 . 1 . . . . 36 LEU HG . 16072 1 457 . 1 1 36 36 LEU CA C 13 52.2 0.2 . 1 . . . . 36 LEU CA . 16072 1 458 . 1 1 36 36 LEU CB C 13 42.7 0.2 . 1 . . . . 36 LEU CB . 16072 1 459 . 1 1 36 36 LEU CD1 C 13 26.8 0.02 . 1 . . . . 36 LEU CD1 . 16072 1 460 . 1 1 36 36 LEU CD2 C 13 23.4 0.02 . 1 . . . . 36 LEU CD2 . 16072 1 461 . 1 1 36 36 LEU CG C 13 27.3 0.2 . 1 . . . . 36 LEU CG . 16072 1 462 . 1 1 36 36 LEU N N 15 120.4 0.2 . 1 . . . . 36 LEU N . 16072 1 463 . 1 1 37 37 PRO HA H 1 4.44 0.02 . 1 . . . . 37 PRO HA . 16072 1 464 . 1 1 37 37 PRO HB2 H 1 1.83 0.02 . 2 . . . . 37 PRO HB2 . 16072 1 465 . 1 1 37 37 PRO HB3 H 1 2.59 0.02 . 2 . . . . 37 PRO HB3 . 16072 1 466 . 1 1 37 37 PRO HD2 H 1 3.57 0.02 . 2 . . . . 37 PRO HD2 . 16072 1 467 . 1 1 37 37 PRO HD3 H 1 4.44 0.02 . 2 . . . . 37 PRO HD3 . 16072 1 468 . 1 1 37 37 PRO HG2 H 1 2.36 0.02 . 2 . . . . 37 PRO HG2 . 16072 1 469 . 1 1 37 37 PRO HG3 H 1 2.50 0.02 . 2 . . . . 37 PRO HG3 . 16072 1 470 . 1 1 37 37 PRO C C 13 177.1 0.2 . 1 . . . . 37 PRO C . 16072 1 471 . 1 1 37 37 PRO CA C 13 63.1 0.2 . 1 . . . . 37 PRO CA . 16072 1 472 . 1 1 37 37 PRO CB C 13 32.7 0.2 . 1 . . . . 37 PRO CB . 16072 1 473 . 1 1 37 37 PRO CD C 13 51.2 0.2 . 1 . . . . 37 PRO CD . 16072 1 474 . 1 1 37 37 PRO CG C 13 28.2 0.2 . 1 . . . . 37 PRO1 CG . 16072 1 475 . 1 1 38 38 ASP H H 1 8.69 0.02 . 1 . . . . 38 ASP H . 16072 1 476 . 1 1 38 38 ASP HA H 1 4.23 0.02 . 1 . . . . 38 ASP HA . 16072 1 477 . 1 1 38 38 ASP HB2 H 1 2.53 0.02 . 2 . . . . 38 ASP HB2 . 16072 1 478 . 1 1 38 38 ASP HB3 H 1 2.75 0.02 . 2 . . . . 38 ASP HB3 . 16072 1 479 . 1 1 38 38 ASP C C 13 177.8 0.2 . 1 . . . . 38 ASP C . 16072 1 480 . 1 1 38 38 ASP CA C 13 57.9 0.2 . 1 . . . . 38 ASP CA . 16072 1 481 . 1 1 38 38 ASP CB C 13 42.2 0.2 . 1 . . . . 38 ASP CB . 16072 1 482 . 1 1 38 38 ASP N N 15 123.8 0.2 . 1 . . . . 38 ASP N . 16072 1 483 . 1 1 39 39 GLN H H 1 9.08 0.02 . 1 . . . . 39 GLN H . 16072 1 484 . 1 1 39 39 GLN HA H 1 3.99 0.02 . 1 . . . . 39 GLN HA . 16072 1 485 . 1 1 39 39 GLN HB2 H 1 1.68 0.02 . 2 . . . . 39 GLN HB2 . 16072 1 486 . 1 1 39 39 GLN HB3 H 1 1.82 0.02 . 2 . . . . 39 GLN HB3 . 16072 1 487 . 1 1 39 39 GLN HE21 H 1 7.01 0.02 . 1 . . . . 39 GLN HE21 . 16072 1 488 . 1 1 39 39 GLN HE22 H 1 6.86 0.02 . 1 . . . . 39 GLN HE22 . 16072 1 489 . 1 1 39 39 GLN HG2 H 1 1.37 0.02 . 2 . . . . 39 GLN HG2 . 16072 1 490 . 1 1 39 39 GLN HG3 H 1 1.37 0.02 . 2 . . . . 39 GLN HG3 . 16072 1 491 . 1 1 39 39 GLN C C 13 176.4 0.2 . 1 . . . . 39 GLN C . 16072 1 492 . 1 1 39 39 GLN CA C 13 58.0 0.2 . 1 . . . . 39 GLN CA . 16072 1 493 . 1 1 39 39 GLN CB C 13 27.3 0.2 . 1 . . . . 39 GLN CB . 16072 1 494 . 1 1 39 39 GLN CD C 13 179.5 0.2 . 1 . . . . 39 GLN CD . 16072 1 495 . 1 1 39 39 GLN CG C 13 31.8 0.2 . 1 . . . . 39 GLN CG . 16072 1 496 . 1 1 39 39 GLN N N 15 115.1 0.2 . 1 . . . . 39 GLN N . 16072 1 497 . 1 1 39 39 GLN NE2 N 15 111.3 0.2 . 1 . . . . 39 GLN NE2 . 16072 1 498 . 1 1 40 40 TYR H H 1 7.51 0.02 . 1 . . . . 40 TYR H . 16072 1 499 . 1 1 40 40 TYR HA H 1 4.73 0.02 . 1 . . . . 40 TYR HA . 16072 1 500 . 1 1 40 40 TYR HB2 H 1 2.36 0.02 . 2 . . . . 40 TYR HB2 . 16072 1 501 . 1 1 40 40 TYR HB3 H 1 3.04 0.02 . 2 . . . . 40 TYR HB3 . 16072 1 502 . 1 1 40 40 TYR HD1 H 1 6.80 0.02 . 3 . . . . 40 TYR HD1 . 16072 1 503 . 1 1 40 40 TYR HD2 H 1 6.80 0.02 . 3 . . . . 40 TYR HD2 . 16072 1 504 . 1 1 40 40 TYR HE1 H 1 6.70 0.02 . 3 . . . . 40 TYR HE1 . 16072 1 505 . 1 1 40 40 TYR HE2 H 1 6.70 0.02 . 3 . . . . 40 TYR HE2 . 16072 1 506 . 1 1 40 40 TYR C C 13 174.2 0.2 . 1 . . . . 40 TYR C . 16072 1 507 . 1 1 40 40 TYR CA C 13 57.0 0.2 . 1 . . . . 40 TYR CA . 16072 1 508 . 1 1 40 40 TYR CB C 13 39.4 0.2 . 1 . . . . 40 TYR CB . 16072 1 509 . 1 1 40 40 TYR CD1 C 13 131.8 0.02 . 3 . . . . 40 TYR CD1 . 16072 1 510 . 1 1 40 40 TYR CD2 C 13 131.8 0.02 . 3 . . . . 40 TYR CD2 . 16072 1 511 . 1 1 40 40 TYR CE1 C 13 117.5 0.02 . 3 . . . . 40 TYR CE1 . 16072 1 512 . 1 1 40 40 TYR CE2 C 13 117.5 0.02 . 3 . . . . 40 TYR CE2 . 16072 1 513 . 1 1 40 40 TYR N N 15 116.8 0.2 . 1 . . . . 40 TYR N . 16072 1 514 . 1 1 41 41 VAL H H 1 7.37 0.02 . 1 . . . . 41 VAL H . 16072 1 515 . 1 1 41 41 VAL HA H 1 4.00 0.02 . 1 . . . . 41 VAL HA . 16072 1 516 . 1 1 41 41 VAL HB H 1 1.82 0.02 . 1 . . . . 41 VAL HB . 16072 1 517 . 1 1 41 41 VAL HG11 H 1 0.66 0.02 . 1 . . . . 41 VAL HG1 . 16072 1 518 . 1 1 41 41 VAL HG12 H 1 0.66 0.02 . 1 . . . . 41 VAL HG1 . 16072 1 519 . 1 1 41 41 VAL HG13 H 1 0.66 0.02 . 1 . . . . 41 VAL HG1 . 16072 1 520 . 1 1 41 41 VAL HG21 H 1 0.67 0.02 . 1 . . . . 41 VAL HG2 . 16072 1 521 . 1 1 41 41 VAL HG22 H 1 0.67 0.02 . 1 . . . . 41 VAL HG2 . 16072 1 522 . 1 1 41 41 VAL HG23 H 1 0.67 0.02 . 1 . . . . 41 VAL HG2 . 16072 1 523 . 1 1 41 41 VAL C C 13 175.4 0.2 . 1 . . . . 41 VAL C . 16072 1 524 . 1 1 41 41 VAL CA C 13 62.8 0.2 . 1 . . . . 41 VAL CA . 16072 1 525 . 1 1 41 41 VAL CB C 13 34.3 0.2 . 1 . . . . 41 VAL CB . 16072 1 526 . 1 1 41 41 VAL CG1 C 13 21.9 0.02 . 1 . . . . 41 VAL CG1 . 16072 1 527 . 1 1 41 41 VAL CG2 C 13 22.7 0.02 . 1 . . . . 41 VAL CG2 . 16072 1 528 . 1 1 41 41 VAL N N 15 116.1 0.2 . 1 . . . . 41 VAL N . 16072 1 529 . 1 1 42 42 ARG H H 1 7.99 0.02 . 1 . . . . 42 ARG H . 16072 1 530 . 1 1 42 42 ARG HA H 1 3.97 0.02 . 1 . . . . 42 ARG HA . 16072 1 531 . 1 1 42 42 ARG HB2 H 1 1.69 0.02 . 2 . . . . 42 ARG HB2 . 16072 1 532 . 1 1 42 42 ARG HB3 H 1 1.85 0.02 . 2 . . . . 42 ARG HB3 . 16072 1 533 . 1 1 42 42 ARG HD2 H 1 3.16 0.02 . 2 . . . . 42 ARG HD2 . 16072 1 534 . 1 1 42 42 ARG HD3 H 1 3.16 0.02 . 2 . . . . 42 ARG HD3 . 16072 1 535 . 1 1 42 42 ARG HG2 H 1 1.57 0.02 . 2 . . . . 42 ARG HG2 . 16072 1 536 . 1 1 42 42 ARG HG3 H 1 1.57 0.02 . 2 . . . . 42 ARG HG3 . 16072 1 537 . 1 1 42 42 ARG C C 13 176.6 0.2 . 1 . . . . 42 ARG C . 16072 1 538 . 1 1 42 42 ARG CA C 13 58.5 0.2 . 1 . . . . 42 ARG CA . 16072 1 539 . 1 1 42 42 ARG CB C 13 29.7 0.2 . 1 . . . . 42 ARG CB . 16072 1 540 . 1 1 42 42 ARG CD C 13 42.8 0.2 . 1 . . . . 42 ARG CD . 16072 1 541 . 1 1 42 42 ARG CG C 13 27.0 0.2 . 1 . . . . 42 ARG CG . 16072 1 542 . 1 1 42 42 ARG N N 15 120.9 0.2 . 1 . . . . 42 ARG N . 16072 1 543 . 1 1 43 43 LEU H H 1 8.93 0.02 . 1 . . . . 43 LEU H . 16072 1 544 . 1 1 43 43 LEU HA H 1 4.06 0.02 . 1 . . . . 43 LEU HA . 16072 1 545 . 1 1 43 43 LEU HB2 H 1 1.66 0.02 . 2 . . . . 43 LEU HB2 . 16072 1 546 . 1 1 43 43 LEU HB3 H 1 1.88 0.02 . 2 . . . . 43 LEU HB3 . 16072 1 547 . 1 1 43 43 LEU HD11 H 1 0.87 0.02 . 1 . . . . 43 LEU HD1 . 16072 1 548 . 1 1 43 43 LEU HD12 H 1 0.87 0.02 . 1 . . . . 43 LEU HD1 . 16072 1 549 . 1 1 43 43 LEU HD13 H 1 0.87 0.02 . 1 . . . . 43 LEU HD1 . 16072 1 550 . 1 1 43 43 LEU HD21 H 1 0.86 0.02 . 1 . . . . 43 LEU HD2 . 16072 1 551 . 1 1 43 43 LEU HD22 H 1 0.86 0.02 . 1 . . . . 43 LEU HD2 . 16072 1 552 . 1 1 43 43 LEU HD23 H 1 0.86 0.02 . 1 . . . . 43 LEU HD2 . 16072 1 553 . 1 1 43 43 LEU HG H 1 1.47 0.02 . 1 . . . . 43 LEU HG . 16072 1 554 . 1 1 43 43 LEU C C 13 176.2 0.2 . 1 . . . . 43 LEU C . 16072 1 555 . 1 1 43 43 LEU CA C 13 56.1 0.2 . 1 . . . . 43 LEU CA . 16072 1 556 . 1 1 43 43 LEU CB C 13 40.1 0.2 . 1 . . . . 43 LEU CB . 16072 1 557 . 1 1 43 43 LEU CD1 C 13 25.3 0.02 . 1 . . . . 43 LEU CD1 . 16072 1 558 . 1 1 43 43 LEU CD2 C 13 22.6 0.02 . 1 . . . . 43 LEU CD2 . 16072 1 559 . 1 1 43 43 LEU CG C 13 27.1 0.2 . 1 . . . . 43 LEU CG . 16072 1 560 . 1 1 43 43 LEU N N 15 119.5 0.2 . 1 . . . . 43 LEU N . 16072 1 561 . 1 1 44 44 GLY H H 1 7.89 0.02 . 1 . . . . 44 GLY H . 16072 1 562 . 1 1 44 44 GLY HA2 H 1 3.93 0.02 . 2 . . . . 44 GLY HA2 . 16072 1 563 . 1 1 44 44 GLY HA3 H 1 4.54 0.02 . 2 . . . . 44 GLY HA3 . 16072 1 564 . 1 1 44 44 GLY CA C 13 44.9 0.2 . 1 . . . . 44 GLY CA . 16072 1 565 . 1 1 44 44 GLY N N 15 107.0 0.2 . 1 . . . . 44 GLY N . 16072 1 566 . 1 1 45 45 PRO HA H 1 4.36 0.02 . 1 . . . . 45 PRO HA . 16072 1 567 . 1 1 45 45 PRO HB2 H 1 1.93 0.02 . 2 . . . . 45 PRO HB2 . 16072 1 568 . 1 1 45 45 PRO HB3 H 1 2.17 0.02 . 2 . . . . 45 PRO HB3 . 16072 1 569 . 1 1 45 45 PRO HD2 H 1 3.55 0.02 . 2 . . . . 45 PRO HD2 . 16072 1 570 . 1 1 45 45 PRO HD3 H 1 3.55 0.02 . 2 . . . . 45 PRO HD3 . 16072 1 571 . 1 1 45 45 PRO HG2 H 1 1.83 0.02 . 2 . . . . 45 PRO HG2 . 16072 1 572 . 1 1 45 45 PRO HG3 H 1 1.92 0.02 . 2 . . . . 45 PRO HG3 . 16072 1 573 . 1 1 45 45 PRO C C 13 176.9 0.2 . 1 . . . . 45 PRO C . 16072 1 574 . 1 1 45 45 PRO CA C 13 64.4 0.2 . 1 . . . . 45 PRO CA . 16072 1 575 . 1 1 45 45 PRO CB C 13 31.9 0.2 . 1 . . . . 45 PRO CB . 16072 1 576 . 1 1 45 45 PRO CD C 13 49.8 0.2 . 1 . . . . 45 PRO CD . 16072 1 577 . 1 1 45 45 PRO CG C 13 27.1 0.2 . 1 . . . . 45 PRO CG . 16072 1 578 . 1 1 46 46 LEU H H 1 8.66 0.02 . 1 . . . . 46 LEU H . 16072 1 579 . 1 1 46 46 LEU HA H 1 3.97 0.02 . 1 . . . . 46 LEU HA . 16072 1 580 . 1 1 46 46 LEU HB2 H 1 1.20 0.02 . 2 . . . . 46 LEU HB2 . 16072 1 581 . 1 1 46 46 LEU HB3 H 1 1.82 0.02 . 2 . . . . 46 LEU HB3 . 16072 1 582 . 1 1 46 46 LEU HD11 H 1 0.74 0.02 . 1 . . . . 46 LEU HD1 . 16072 1 583 . 1 1 46 46 LEU HD12 H 1 0.74 0.02 . 1 . . . . 46 LEU HD1 . 16072 1 584 . 1 1 46 46 LEU HD13 H 1 0.74 0.02 . 1 . . . . 46 LEU HD1 . 16072 1 585 . 1 1 46 46 LEU HD21 H 1 0.68 0.02 . 1 . . . . 46 LEU HD2 . 16072 1 586 . 1 1 46 46 LEU HD22 H 1 0.68 0.02 . 1 . . . . 46 LEU HD2 . 16072 1 587 . 1 1 46 46 LEU HD23 H 1 0.68 0.02 . 1 . . . . 46 LEU HD2 . 16072 1 588 . 1 1 46 46 LEU HG H 1 1.63 0.02 . 1 . . . . 46 LEU HG . 16072 1 589 . 1 1 46 46 LEU C C 13 176.3 0.2 . 1 . . . . 46 LEU C . 16072 1 590 . 1 1 46 46 LEU CA C 13 55.9 0.2 . 1 . . . . 46 LEU CA . 16072 1 591 . 1 1 46 46 LEU CB C 13 43.5 0.2 . 1 . . . . 46 LEU CB . 16072 1 592 . 1 1 46 46 LEU CD1 C 13 24.3 0.02 . 1 . . . . 46 LEU CD1 . 16072 1 593 . 1 1 46 46 LEU CD2 C 13 23.7 0.02 . 1 . . . . 46 LEU CD2 . 16072 1 594 . 1 1 46 46 LEU CG C 13 26.9 0.2 . 1 . . . . 46 LEU CG . 16072 1 595 . 1 1 46 46 LEU N N 15 117.0 0.2 . 1 . . . . 46 LEU N . 16072 1 596 . 1 1 47 47 SER H H 1 7.16 0.02 . 1 . . . . 47 SER H . 16072 1 597 . 1 1 47 47 SER HA H 1 4.08 0.02 . 1 . . . . 47 SER HA . 16072 1 598 . 1 1 47 47 SER HB2 H 1 3.72 0.02 . 2 . . . . 47 SER HB2 . 16072 1 599 . 1 1 47 47 SER HB3 H 1 3.97 0.02 . 2 . . . . 47 SER HB3 . 16072 1 600 . 1 1 47 47 SER C C 13 176.6 0.2 . 1 . . . . 47 SER C . 16072 1 601 . 1 1 47 47 SER CA C 13 59.1 0.2 . 1 . . . . 47 SER CA . 16072 1 602 . 1 1 47 47 SER CB C 13 62.8 0.2 . 1 . . . . 47 SER CB . 16072 1 603 . 1 1 47 47 SER N N 15 110.3 0.2 . 1 . . . . 47 SER N . 16072 1 604 . 1 1 48 48 ASN H H 1 11.0 0.02 . 1 . . . . 48 ASN H . 16072 1 605 . 1 1 48 48 ASN HA H 1 4.09 0.02 . 1 . . . . 48 ASN HA . 16072 1 606 . 1 1 48 48 ASN HB2 H 1 2.99 0.02 . 2 . . . . 48 ASN HB2 . 16072 1 607 . 1 1 48 48 ASN HB3 H 1 2.99 0.02 . 2 . . . . 48 ASN HB3 . 16072 1 608 . 1 1 48 48 ASN HD21 H 1 7.44 0.02 . 1 . . . . 48 ASN HD21 . 16072 1 609 . 1 1 48 48 ASN HD22 H 1 6.80 0.02 . 1 . . . . 48 ASN HD22 . 16072 1 610 . 1 1 48 48 ASN C C 13 174.7 0.2 . 1 . . . . 48 ASN C . 16072 1 611 . 1 1 48 48 ASN CA C 13 55.2 0.2 . 1 . . . . 48 ASN CA . 16072 1 612 . 1 1 48 48 ASN CB C 13 38.3 0.2 . 1 . . . . 48 ASN CB . 16072 1 613 . 1 1 48 48 ASN CG C 13 178.0 0.2 . 1 . . . . 48 ASN CG . 16072 1 614 . 1 1 48 48 ASN N N 15 123.2 0.2 . 1 . . . . 48 ASN N . 16072 1 615 . 1 1 48 48 ASN ND2 N 15 112.9 0.2 . 1 . . . . 48 ASN ND2 . 16072 1 616 . 1 1 49 49 LYS H H 1 7.83 0.02 . 1 . . . . 49 LYS H . 16072 1 617 . 1 1 49 49 LYS HA H 1 4.36 0.02 . 1 . . . . 49 LYS HA . 16072 1 618 . 1 1 49 49 LYS HB2 H 1 1.25 0.02 . 2 . . . . 49 LYS HB2 . 16072 1 619 . 1 1 49 49 LYS HB3 H 1 1.80 0.02 . 2 . . . . 49 LYS HB3 . 16072 1 620 . 1 1 49 49 LYS HD2 H 1 0.74 0.02 . 2 . . . . 49 LYS HD2 . 16072 1 621 . 1 1 49 49 LYS HD3 H 1 1.28 0.02 . 2 . . . . 49 LYS HD3 . 16072 1 622 . 1 1 49 49 LYS HE2 H 1 2.83 0.02 . 2 . . . . 49 LYS HE2 . 16072 1 623 . 1 1 49 49 LYS HE3 H 1 2.83 0.02 . 2 . . . . 49 LYS HE3 . 16072 1 624 . 1 1 49 49 LYS HG2 H 1 1.11 0.02 . 2 . . . . 49 LYS HG2 . 16072 1 625 . 1 1 49 49 LYS HG3 H 1 1.18 0.02 . 2 . . . . 49 LYS HG3 . 16072 1 626 . 1 1 49 49 LYS C C 13 175.1 0.2 . 1 . . . . 49 LYS C . 16072 1 627 . 1 1 49 49 LYS CA C 13 56.1 0.2 . 1 . . . . 49 LYS CA . 16072 1 628 . 1 1 49 49 LYS CB C 13 33.2 0.2 . 1 . . . . 49 LYS CB . 16072 1 629 . 1 1 49 49 LYS CD C 13 27.8 0.2 . 1 . . . . 49 LYS CD . 16072 1 630 . 1 1 49 49 LYS CE C 13 42.4 0.2 . 1 . . . . 49 LYS CE . 16072 1 631 . 1 1 49 49 LYS CG C 13 26.2 0.2 . 1 . . . . 49 LYS CG . 16072 1 632 . 1 1 49 49 LYS N N 15 119.4 0.2 . 1 . . . . 49 LYS N . 16072 1 633 . 1 1 50 50 ILE H H 1 8.57 0.02 . 1 . . . . 50 ILE H . 16072 1 634 . 1 1 50 50 ILE HA H 1 4.16 0.02 . 1 . . . . 50 ILE HA . 16072 1 635 . 1 1 50 50 ILE HB H 1 1.95 0.02 . 1 . . . . 50 ILE HB . 16072 1 636 . 1 1 50 50 ILE HD11 H 1 0.81 0.02 . 1 . . . . 50 ILE HD1 . 16072 1 637 . 1 1 50 50 ILE HD12 H 1 0.81 0.02 . 1 . . . . 50 ILE HD1 . 16072 1 638 . 1 1 50 50 ILE HD13 H 1 0.81 0.02 . 1 . . . . 50 ILE HD1 . 16072 1 639 . 1 1 50 50 ILE HG12 H 1 1.19 0.02 . 2 . . . . 50 ILE HG12 . 16072 1 640 . 1 1 50 50 ILE HG13 H 1 1.60 0.02 . 2 . . . . 50 ILE HG13 . 16072 1 641 . 1 1 50 50 ILE HG21 H 1 0.79 0.02 . 1 . . . . 50 ILE HG2 . 16072 1 642 . 1 1 50 50 ILE HG22 H 1 0.79 0.02 . 1 . . . . 50 ILE HG2 . 16072 1 643 . 1 1 50 50 ILE HG23 H 1 0.79 0.02 . 1 . . . . 50 ILE HG2 . 16072 1 644 . 1 1 50 50 ILE C C 13 175.0 0.2 . 1 . . . . 50 ILE C . 16072 1 645 . 1 1 50 50 ILE CA C 13 61.2 0.2 . 1 . . . . 50 ILE CA . 16072 1 646 . 1 1 50 50 ILE CB C 13 36.9 0.2 . 1 . . . . 50 ILE CB . 16072 1 647 . 1 1 50 50 ILE CD1 C 13 12.0 0.2 . 1 . . . . 50 ILE CD1 . 16072 1 648 . 1 1 50 50 ILE CG1 C 13 27.7 0.2 . 1 . . . . 50 ILE CG1 . 16072 1 649 . 1 1 50 50 ILE CG2 C 13 18.2 0.2 . 1 . . . . 50 ILE CG2 . 16072 1 650 . 1 1 50 50 ILE N N 15 123.0 0.2 . 1 . . . . 50 ILE N . 16072 1 651 . 1 1 51 51 LEU H H 1 9.27 0.02 . 1 . . . . 51 LEU H . 16072 1 652 . 1 1 51 51 LEU HA H 1 5.17 0.02 . 1 . . . . 51 LEU HA . 16072 1 653 . 1 1 51 51 LEU HB2 H 1 1.38 0.02 . 2 . . . . 51 LEU HB2 . 16072 1 654 . 1 1 51 51 LEU HB3 H 1 1.78 0.02 . 2 . . . . 51 LEU HB3 . 16072 1 655 . 1 1 51 51 LEU HD11 H 1 0.79 0.02 . 2 . . . . 51 LEU HD1 . 16072 1 656 . 1 1 51 51 LEU HD12 H 1 0.79 0.02 . 2 . . . . 51 LEU HD1 . 16072 1 657 . 1 1 51 51 LEU HD13 H 1 0.79 0.02 . 2 . . . . 51 LEU HD1 . 16072 1 658 . 1 1 51 51 LEU HD21 H 1 0.80 0.02 . 2 . . . . 51 LEU HD2 . 16072 1 659 . 1 1 51 51 LEU HD22 H 1 0.80 0.02 . 2 . . . . 51 LEU HD2 . 16072 1 660 . 1 1 51 51 LEU HD23 H 1 0.80 0.02 . 2 . . . . 51 LEU HD2 . 16072 1 661 . 1 1 51 51 LEU HG H 1 1.80 0.02 . 1 . . . . 51 LEU HG . 16072 1 662 . 1 1 51 51 LEU C C 13 176.3 0.2 . 1 . . . . 51 LEU C . 16072 1 663 . 1 1 51 51 LEU CA C 13 52.5 0.2 . 1 . . . . 51 LEU CA . 16072 1 664 . 1 1 51 51 LEU CB C 13 42.6 0.2 . 1 . . . . 51 LEU CB . 16072 1 665 . 1 1 51 51 LEU CD1 C 13 26.7 0.02 . 2 . . . . 51 LEU CD1 . 16072 1 666 . 1 1 51 51 LEU CD2 C 13 23.0 0.02 . 2 . . . . 51 LEU CD2 . 16072 1 667 . 1 1 51 51 LEU CG C 13 26.8 0.2 . 1 . . . . 51 LEU CG . 16072 1 668 . 1 1 51 51 LEU N N 15 127.0 0.2 . 1 . . . . 51 LEU N . 16072 1 669 . 1 1 52 52 GLN H H 1 9.11 0.02 . 1 . . . . 52 GLN H . 16072 1 670 . 1 1 52 52 GLN HA H 1 4.59 0.02 . 1 . . . . 52 GLN HA . 16072 1 671 . 1 1 52 52 GLN HB2 H 1 2.19 0.02 . 2 . . . . 52 GLN HB2 . 16072 1 672 . 1 1 52 52 GLN HB3 H 1 2.26 0.02 . 2 . . . . 52 GLN HB3 . 16072 1 673 . 1 1 52 52 GLN HE21 H 1 7.77 0.02 . 2 . . . . 52 GLN HE21 . 16072 1 674 . 1 1 52 52 GLN HE22 H 1 6.84 0.02 . 2 . . . . 52 GLN HE22 . 16072 1 675 . 1 1 52 52 GLN HG2 H 1 2.29 0.02 . 2 . . . . 52 GLN HG2 . 16072 1 676 . 1 1 52 52 GLN HG3 H 1 2.35 0.02 . 2 . . . . 52 GLN HG3 . 16072 1 677 . 1 1 52 52 GLN C C 13 175.0 0.2 . 1 . . . . 52 GLN C . 16072 1 678 . 1 1 52 52 GLN CA C 13 56.8 0.2 . 1 . . . . 52 GLN CA . 16072 1 679 . 1 1 52 52 GLN CB C 13 29.2 0.2 . 1 . . . . 52 GLN CB . 16072 1 680 . 1 1 52 52 GLN CD C 13 180.2 0.2 . 1 . . . . 52 GLN CD . 16072 1 681 . 1 1 52 52 GLN CG C 13 34.8 0.2 . 1 . . . . 52 GLN CG . 16072 1 682 . 1 1 52 52 GLN N N 15 122.7 0.2 . 1 . . . . 52 GLN N . 16072 1 683 . 1 1 52 52 GLN NE2 N 15 113.5 0.2 . 1 . . . . 52 GLN NE2 . 16072 1 684 . 1 1 53 53 THR H H 1 9.11 0.02 . 1 . . . . 53 THR H . 16072 1 685 . 1 1 53 53 THR HA H 1 4.73 0.02 . 1 . . . . 53 THR HA . 16072 1 686 . 1 1 53 53 THR HB H 1 4.03 0.02 . 1 . . . . 53 THR HB . 16072 1 687 . 1 1 53 53 THR HG21 H 1 1.07 0.02 . 1 . . . . 53 THR HG2 . 16072 1 688 . 1 1 53 53 THR HG22 H 1 1.07 0.02 . 1 . . . . 53 THR HG2 . 16072 1 689 . 1 1 53 53 THR HG23 H 1 1.07 0.02 . 1 . . . . 53 THR HG2 . 16072 1 690 . 1 1 53 53 THR C C 13 172.5 0.2 . 1 . . . . 53 THR C . 16072 1 691 . 1 1 53 53 THR CA C 13 60.5 0.2 . 1 . . . . 53 THR CA . 16072 1 692 . 1 1 53 53 THR CB C 13 69.8 0.2 . 1 . . . . 53 THR CB . 16072 1 693 . 1 1 53 53 THR CG2 C 13 21.4 0.2 . 1 . . . . 53 THR CG2 . 16072 1 694 . 1 1 53 53 THR N N 15 121.5 0.2 . 1 . . . . 53 THR N . 16072 1 695 . 1 1 54 54 ASN H H 1 8.21 0.02 . 1 . . . . 54 ASN H . 16072 1 696 . 1 1 54 54 ASN HA H 1 5.40 0.02 . 1 . . . . 54 ASN HA . 16072 1 697 . 1 1 54 54 ASN HB2 H 1 2.25 0.02 . 2 . . . . 54 ASN HB2 . 16072 1 698 . 1 1 54 54 ASN HB3 H 1 3.39 0.02 . 2 . . . . 54 ASN HB3 . 16072 1 699 . 1 1 54 54 ASN HD21 H 1 6.99 0.02 . 2 . . . . 54 ASN HD21 . 16072 1 700 . 1 1 54 54 ASN HD22 H 1 7.48 0.02 . 2 . . . . 54 ASN HD22 . 16072 1 701 . 1 1 54 54 ASN C C 13 172.9 0.2 . 1 . . . . 54 ASN C . 16072 1 702 . 1 1 54 54 ASN CA C 13 52.4 0.2 . 1 . . . . 54 ASN CA . 16072 1 703 . 1 1 54 54 ASN CB C 13 40.9 0.2 . 1 . . . . 54 ASN CB . 16072 1 704 . 1 1 54 54 ASN CG C 13 178.0 0.2 . 1 . . . . 54 ASN CG . 16072 1 705 . 1 1 54 54 ASN N N 15 125.4 0.2 . 1 . . . . 54 ASN N . 16072 1 706 . 1 1 54 54 ASN ND2 N 15 112.9 0.2 . 1 . . . . 54 ASN ND2 . 16072 1 707 . 1 1 55 55 THR H H 1 8.51 0.02 . 1 . . . . 55 THR H . 16072 1 708 . 1 1 55 55 THR HA H 1 5.12 0.02 . 1 . . . . 55 THR HA . 16072 1 709 . 1 1 55 55 THR HB H 1 3.97 0.02 . 1 . . . . 55 THR HB . 16072 1 710 . 1 1 55 55 THR HG21 H 1 1.21 0.02 . 1 . . . . 55 THR HG2 . 16072 1 711 . 1 1 55 55 THR HG22 H 1 1.21 0.02 . 1 . . . . 55 THR HG2 . 16072 1 712 . 1 1 55 55 THR HG23 H 1 1.21 0.02 . 1 . . . . 55 THR HG2 . 16072 1 713 . 1 1 55 55 THR C C 13 172.8 0.2 . 1 . . . . 55 THR C . 16072 1 714 . 1 1 55 55 THR CA C 13 61.4 0.2 . 1 . . . . 55 THR CA . 16072 1 715 . 1 1 55 55 THR CB C 13 69.7 0.2 . 1 . . . . 55 THR CB . 16072 1 716 . 1 1 55 55 THR CG2 C 13 21.2 0.2 . 1 . . . . 55 THR CG2 . 16072 1 717 . 1 1 55 55 THR N N 15 119.3 0.2 . 1 . . . . 55 THR N . 16072 1 718 . 1 1 56 56 TYR H H 1 8.46 0.02 . 1 . . . . 56 TYR H . 16072 1 719 . 1 1 56 56 TYR HA H 1 5.26 0.02 . 1 . . . . 56 TYR HA . 16072 1 720 . 1 1 56 56 TYR HB2 H 1 2.20 0.02 . 2 . . . . 56 TYR HB2 . 16072 1 721 . 1 1 56 56 TYR HB3 H 1 2.67 0.02 . 2 . . . . 56 TYR HB3 . 16072 1 722 . 1 1 56 56 TYR HD1 H 1 7.13 0.02 . 3 . . . . 56 TYR HD1 . 16072 1 723 . 1 1 56 56 TYR HD2 H 1 7.13 0.02 . 3 . . . . 56 TYR HD2 . 16072 1 724 . 1 1 56 56 TYR HE1 H 1 6.76 0.02 . 3 . . . . 56 TYR HE1 . 16072 1 725 . 1 1 56 56 TYR HE2 H 1 6.76 0.02 . 3 . . . . 56 TYR HE2 . 16072 1 726 . 1 1 56 56 TYR C C 13 173.4 0.2 . 1 . . . . 56 TYR C . 16072 1 727 . 1 1 56 56 TYR CA C 13 57.5 0.2 . 1 . . . . 56 TYR CA . 16072 1 728 . 1 1 56 56 TYR CB C 13 41.4 0.2 . 1 . . . . 56 TYR CB . 16072 1 729 . 1 1 56 56 TYR CD1 C 13 133.2 0.02 . 3 . . . . 56 TYR CD1 . 16072 1 730 . 1 1 56 56 TYR CD2 C 13 133.2 0.02 . 3 . . . . 56 TYR CD2 . 16072 1 731 . 1 1 56 56 TYR CE1 C 13 117.8 0.02 . 3 . . . . 56 TYR CE1 . 16072 1 732 . 1 1 56 56 TYR CE2 C 13 117.8 0.02 . 3 . . . . 56 TYR CE2 . 16072 1 733 . 1 1 56 56 TYR N N 15 125.4 0.2 . 1 . . . . 56 TYR N . 16072 1 734 . 1 1 57 57 TYR H H 1 8.45 0.02 . 1 . . . . 57 TYR H . 16072 1 735 . 1 1 57 57 TYR HA H 1 4.53 0.02 . 1 . . . . 57 TYR HA . 16072 1 736 . 1 1 57 57 TYR HB2 H 1 2.47 0.02 . 2 . . . . 57 TYR HB2 . 16072 1 737 . 1 1 57 57 TYR HB3 H 1 2.91 0.02 . 2 . . . . 57 TYR HB3 . 16072 1 738 . 1 1 57 57 TYR HD1 H 1 6.86 0.02 . 3 . . . . 57 TYR HD1 . 16072 1 739 . 1 1 57 57 TYR HD2 H 1 6.86 0.02 . 3 . . . . 57 TYR HD2 . 16072 1 740 . 1 1 57 57 TYR HE1 H 1 6.58 0.02 . 3 . . . . 57 TYR HE1 . 16072 1 741 . 1 1 57 57 TYR HE2 H 1 6.58 0.02 . 3 . . . . 57 TYR HE2 . 16072 1 742 . 1 1 57 57 TYR C C 13 172.4 0.2 . 1 . . . . 57 TYR C . 16072 1 743 . 1 1 57 57 TYR CA C 13 56.6 0.2 . 1 . . . . 57 TYR CA . 16072 1 744 . 1 1 57 57 TYR CB C 13 41.7 0.2 . 1 . . . . 57 TYR CB . 16072 1 745 . 1 1 57 57 TYR CD1 C 13 133.4 0.02 . 3 . . . . 57 TYR CD1 . 16072 1 746 . 1 1 57 57 TYR CD2 C 13 133.4 0.02 . 3 . . . . 57 TYR CD2 . 16072 1 747 . 1 1 57 57 TYR CE1 C 13 117.8 0.02 . 3 . . . . 57 TYR CE1 . 16072 1 748 . 1 1 57 57 TYR CE2 C 13 117.8 0.02 . 3 . . . . 57 TYR CE2 . 16072 1 749 . 1 1 57 57 TYR N N 15 113.9 0.2 . 1 . . . . 57 TYR N . 16072 1 750 . 1 1 58 58 SER H H 1 7.10 0.02 . 1 . . . . 58 SER H . 16072 1 751 . 1 1 58 58 SER HA H 1 4.75 0.02 . 1 . . . . 58 SER HA . 16072 1 752 . 1 1 58 58 SER HB2 H 1 4.01 0.02 . 2 . . . . 58 SER HB2 . 16072 1 753 . 1 1 58 58 SER HB3 H 1 4.10 0.02 . 2 . . . . 58 SER HB3 . 16072 1 754 . 1 1 58 58 SER C C 13 173.8 0.2 . 1 . . . . 58 SER C . 16072 1 755 . 1 1 58 58 SER CA C 13 56.6 0.2 . 1 . . . . 58 SER CA . 16072 1 756 . 1 1 58 58 SER CB C 13 65.6 0.2 . 1 . . . . 58 SER CB . 16072 1 757 . 1 1 58 58 SER N N 15 114.2 0.2 . 1 . . . . 58 SER N . 16072 1 758 . 1 1 59 59 ASP H H 1 9.14 0.02 . 1 . . . . 59 ASP H . 16072 1 759 . 1 1 59 59 ASP HA H 1 4.55 0.02 . 1 . . . . 59 ASP HA . 16072 1 760 . 1 1 59 59 ASP HB2 H 1 2.74 0.02 . 2 . . . . 59 ASP HB2 . 16072 1 761 . 1 1 59 59 ASP HB3 H 1 2.83 0.02 . 2 . . . . 59 ASP HB3 . 16072 1 762 . 1 1 59 59 ASP C C 13 179.0 0.2 . 1 . . . . 59 ASP C . 16072 1 763 . 1 1 59 59 ASP CA C 13 58.5 0.2 . 1 . . . . 59 ASP CA . 16072 1 764 . 1 1 59 59 ASP CB C 13 40.4 0.2 . 1 . . . . 59 ASP CB . 16072 1 765 . 1 1 59 59 ASP N N 15 121.8 0.2 . 1 . . . . 59 ASP N . 16072 1 766 . 1 1 60 60 THR H H 1 9.06 0.02 . 1 . . . . 60 THR H . 16072 1 767 . 1 1 60 60 THR HA H 1 4.00 0.02 . 1 . . . . 60 THR HA . 16072 1 768 . 1 1 60 60 THR HB H 1 4.30 0.02 . 1 . . . . 60 THR HB . 16072 1 769 . 1 1 60 60 THR HG21 H 1 1.26 0.02 . 1 . . . . 60 THR HG2 . 16072 1 770 . 1 1 60 60 THR HG22 H 1 1.26 0.02 . 1 . . . . 60 THR HG2 . 16072 1 771 . 1 1 60 60 THR HG23 H 1 1.26 0.02 . 1 . . . . 60 THR HG2 . 16072 1 772 . 1 1 60 60 THR C C 13 178.0 0.2 . 1 . . . . 60 THR C . 16072 1 773 . 1 1 60 60 THR CA C 13 67.3 0.2 . 1 . . . . 60 THR CA . 16072 1 774 . 1 1 60 60 THR CB C 13 67.3 0.2 . 1 . . . . 60 THR CB . 16072 1 775 . 1 1 60 60 THR CG2 C 13 23.1 0.2 . 1 . . . . 60 THR CG2 . 16072 1 776 . 1 1 60 60 THR N N 15 114.8 0.2 . 1 . . . . 60 THR N . 16072 1 777 . 1 1 61 61 LEU H H 1 7.95 0.02 . 1 . . . . 61 LEU H . 16072 1 778 . 1 1 61 61 LEU HA H 1 3.61 0.02 . 1 . . . . 61 LEU HA . 16072 1 779 . 1 1 61 61 LEU HB2 H 1 1.33 0.02 . 2 . . . . 61 LEU HB2 . 16072 1 780 . 1 1 61 61 LEU HB3 H 1 1.72 0.02 . 2 . . . . 61 LEU HB3 . 16072 1 781 . 1 1 61 61 LEU HD11 H 1 -0.73 0.02 . 1 . . . . 61 LEU HD1 . 16072 1 782 . 1 1 61 61 LEU HD12 H 1 -0.73 0.02 . 1 . . . . 61 LEU HD1 . 16072 1 783 . 1 1 61 61 LEU HD13 H 1 -0.73 0.02 . 1 . . . . 61 LEU HD1 . 16072 1 784 . 1 1 61 61 LEU HD21 H 1 0.16 0.02 . 1 . . . . 61 LEU HD2 . 16072 1 785 . 1 1 61 61 LEU HD22 H 1 0.16 0.02 . 1 . . . . 61 LEU HD2 . 16072 1 786 . 1 1 61 61 LEU HD23 H 1 0.16 0.02 . 1 . . . . 61 LEU HD2 . 16072 1 787 . 1 1 61 61 LEU HG H 1 1.13 0.02 . 1 . . . . 61 LEU HG . 16072 1 788 . 1 1 61 61 LEU C C 13 178.9 0.2 . 1 . . . . 61 LEU C . 16072 1 789 . 1 1 61 61 LEU CA C 13 58.6 0.2 . 1 . . . . 61 LEU CA . 16072 1 790 . 1 1 61 61 LEU CB C 13 39.5 0.2 . 1 . . . . 61 LEU CB . 16072 1 791 . 1 1 61 61 LEU CD1 C 13 22.2 0.02 . 1 . . . . 61 LEU CD1 . 16072 1 792 . 1 1 61 61 LEU CD2 C 13 22.2 0.02 . 1 . . . . 61 LEU CD2 . 16072 1 793 . 1 1 61 61 LEU CG C 13 26.7 0.2 . 1 . . . . 61 LEU CG . 16072 1 794 . 1 1 61 61 LEU N N 15 126.1 0.2 . 1 . . . . 61 LEU N . 16072 1 795 . 1 1 62 62 HIS H H 1 8.26 0.02 . 1 . . . . 62 HIS H . 16072 1 796 . 1 1 62 62 HIS HA H 1 4.47 0.02 . 1 . . . . 62 HIS HA . 16072 1 797 . 1 1 62 62 HIS HB2 H 1 3.23 0.02 . 2 . . . . 62 HIS HB2 . 16072 1 798 . 1 1 62 62 HIS HB3 H 1 3.40 0.02 . 2 . . . . 62 HIS HB3 . 16072 1 799 . 1 1 62 62 HIS HD2 H 1 7.22 0.02 . 1 . . . . 62 HIS HD2 . 16072 1 800 . 1 1 62 62 HIS C C 13 178.9 0.2 . 1 . . . . 62 HIS C . 16072 1 801 . 1 1 62 62 HIS CA C 13 58.6 0.2 . 1 . . . . 62 HIS CA . 16072 1 802 . 1 1 62 62 HIS CB C 13 29.5 0.2 . 1 . . . . 62 HIS CB . 16072 1 803 . 1 1 62 62 HIS CD2 C 13 119.7 0.2 . 1 . . . . 62 HIS CD2 . 16072 1 804 . 1 1 62 62 HIS N N 15 116.0 0.2 . 1 . . . . 62 HIS N . 16072 1 805 . 1 1 63 63 LYS H H 1 7.79 0.02 . 1 . . . . 63 LYS H . 16072 1 806 . 1 1 63 63 LYS HA H 1 3.96 0.02 . 1 . . . . 63 LYS HA . 16072 1 807 . 1 1 63 63 LYS HB2 H 1 1.93 0.02 . 2 . . . . 63 LYS HB2 . 16072 1 808 . 1 1 63 63 LYS HB3 H 1 1.93 0.02 . 2 . . . . 63 LYS HB3 . 16072 1 809 . 1 1 63 63 LYS HD2 H 1 1.67 0.02 . 2 . . . . 63 LYS HD2 . 16072 1 810 . 1 1 63 63 LYS HD3 H 1 1.67 0.02 . 2 . . . . 63 LYS HD3 . 16072 1 811 . 1 1 63 63 LYS HE2 H 1 2.97 0.02 . 2 . . . . 63 LYS HE2 . 16072 1 812 . 1 1 63 63 LYS HE3 H 1 2.97 0.02 . 2 . . . . 63 LYS HE3 . 16072 1 813 . 1 1 63 63 LYS HG2 H 1 1.48 0.02 . 2 . . . . 63 LYS HG2 . 16072 1 814 . 1 1 63 63 LYS HG3 H 1 1.63 0.02 . 2 . . . . 63 LYS HG3 . 16072 1 815 . 1 1 63 63 LYS C C 13 177.9 0.2 . 1 . . . . 63 LYS C . 16072 1 816 . 1 1 63 63 LYS CA C 13 59.2 0.2 . 1 . . . . 63 LYS CA . 16072 1 817 . 1 1 63 63 LYS CB C 13 32.4 0.2 . 1 . . . . 63 LYS CB . 16072 1 818 . 1 1 63 63 LYS CD C 13 29.4 0.2 . 1 . . . . 63 LYS CD . 16072 1 819 . 1 1 63 63 LYS CE C 13 41.8 0.2 . 1 . . . . 63 LYS CE . 16072 1 820 . 1 1 63 63 LYS CG C 13 25.5 0.2 . 1 . . . . 63 LYS CG . 16072 1 821 . 1 1 63 63 LYS N N 15 119.1 0.2 . 1 . . . . 63 LYS N . 16072 1 822 . 1 1 64 64 SER H H 1 7.58 0.02 . 1 . . . . 64 SER H . 16072 1 823 . 1 1 64 64 SER HA H 1 4.26 0.02 . 1 . . . . 64 SER HA . 16072 1 824 . 1 1 64 64 SER HB2 H 1 3.54 0.02 . 2 . . . . 64 SER HB2 . 16072 1 825 . 1 1 64 64 SER HB3 H 1 3.72 0.02 . 2 . . . . 64 SER HB3 . 16072 1 826 . 1 1 64 64 SER C C 13 172.1 0.2 . 1 . . . . 64 SER C . 16072 1 827 . 1 1 64 64 SER CA C 13 59.3 0.2 . 1 . . . . 64 SER CA . 16072 1 828 . 1 1 64 64 SER CB C 13 63.6 0.2 . 1 . . . . 64 SER CB . 16072 1 829 . 1 1 64 64 SER N N 15 112.47 0.2 . 1 . . . . 64 SER N . 16072 1 830 . 1 1 65 65 ASN H H 1 7.76 0.02 . 1 . . . . 65 ASN H . 16072 1 831 . 1 1 65 65 ASN HA H 1 3.87 0.02 . 1 . . . . 65 ASN HA . 16072 1 832 . 1 1 65 65 ASN HB2 H 1 2.82 0.02 . 2 . . . . 65 ASN HB2 . 16072 1 833 . 1 1 65 65 ASN HB3 H 1 3.06 0.02 . 2 . . . . 65 ASN HB3 . 16072 1 834 . 1 1 65 65 ASN HD21 H 1 7.57 0.02 . 1 . . . . 65 ASN HD21 . 16072 1 835 . 1 1 65 65 ASN HD22 H 1 6.75 0.02 . 1 . . . . 65 ASN HD22 . 16072 1 836 . 1 1 65 65 ASN C C 13 171.1 0.2 . 1 . . . . 65 ASN C . 16072 1 837 . 1 1 65 65 ASN CA C 13 54.3 0.2 . 1 . . . . 65 ASN CA . 16072 1 838 . 1 1 65 65 ASN CB C 13 37.5 0.2 . 1 . . . . 65 ASN CB . 16072 1 839 . 1 1 65 65 ASN CG C 13 178.5 0.2 . 1 . . . . 65 ASN CG . 16072 1 840 . 1 1 65 65 ASN N N 15 117.6 0.2 . 1 . . . . 65 ASN N . 16072 1 841 . 1 1 65 65 ASN ND2 N 15 114.1 0.2 . 1 . . . . 65 ASN ND2 . 16072 1 842 . 1 1 66 66 ILE H H 1 6.82 0.02 . 1 . . . . 66 ILE H . 16072 1 843 . 1 1 66 66 ILE HA H 1 4.59 0.02 . 1 . . . . 66 ILE HA . 16072 1 844 . 1 1 66 66 ILE HB H 1 1.05 0.02 . 1 . . . . 66 ILE HB . 16072 1 845 . 1 1 66 66 ILE HD11 H 1 -0.01 0.02 . 1 . . . . 66 ILE HD1 . 16072 1 846 . 1 1 66 66 ILE HD12 H 1 -0.01 0.02 . 1 . . . . 66 ILE HD1 . 16072 1 847 . 1 1 66 66 ILE HD13 H 1 -0.01 0.02 . 1 . . . . 66 ILE HD1 . 16072 1 848 . 1 1 66 66 ILE HG12 H 1 0.46 0.02 . 2 . . . . 66 ILE HG12 . 16072 1 849 . 1 1 66 66 ILE HG13 H 1 0.46 0.02 . 2 . . . . 66 ILE HG13 . 16072 1 850 . 1 1 66 66 ILE HG21 H 1 0.24 0.02 . 1 . . . . 66 ILE HG2 . 16072 1 851 . 1 1 66 66 ILE HG22 H 1 0.24 0.02 . 1 . . . . 66 ILE HG2 . 16072 1 852 . 1 1 66 66 ILE HG23 H 1 0.24 0.02 . 1 . . . . 66 ILE HG2 . 16072 1 853 . 1 1 66 66 ILE C C 13 174.0 0.2 . 1 . . . . 66 ILE C . 16072 1 854 . 1 1 66 66 ILE CA C 13 58.2 0.2 . 1 . . . . 66 ILE CA . 16072 1 855 . 1 1 66 66 ILE CB C 13 40.2 0.2 . 1 . . . . 66 ILE CB . 16072 1 856 . 1 1 66 66 ILE CD1 C 13 12.1 0.2 . 1 . . . . 66 ILE CD1 . 16072 1 857 . 1 1 66 66 ILE CG1 C 13 25.6 0.2 . 1 . . . . 66 ILE CG1 . 16072 1 858 . 1 1 66 66 ILE CG2 C 13 17.0 0.2 . 1 . . . . 66 ILE CG2 . 16072 1 859 . 1 1 66 66 ILE N N 15 113.9 0.2 . 1 . . . . 66 ILE N . 16072 1 860 . 1 1 67 67 TYR H H 1 8.53 0.02 . 1 . . . . 67 TYR H . 16072 1 861 . 1 1 67 67 TYR HA H 1 5.05 0.02 . 1 . . . . 67 TYR HA . 16072 1 862 . 1 1 67 67 TYR HB2 H 1 2.80 0.02 . 2 . . . . 67 TYR HB2 . 16072 1 863 . 1 1 67 67 TYR HB3 H 1 2.92 0.02 . 2 . . . . 67 TYR HB3 . 16072 1 864 . 1 1 67 67 TYR HD1 H 1 7.00 0.02 . 3 . . . . 67 TYR HD1 . 16072 1 865 . 1 1 67 67 TYR HD2 H 1 7.00 0.02 . 3 . . . . 67 TYR HD2 . 16072 1 866 . 1 1 67 67 TYR HE1 H 1 6.62 0.02 . 3 . . . . 67 TYR HE1 . 16072 1 867 . 1 1 67 67 TYR HE2 H 1 6.62 0.02 . 3 . . . . 67 TYR HE2 . 16072 1 868 . 1 1 67 67 TYR CA C 13 54.0 0.2 . 1 . . . . 67 TYR CA . 16072 1 869 . 1 1 67 67 TYR CB C 13 39.4 0.2 . 1 . . . . 67 TYR CB . 16072 1 870 . 1 1 67 67 TYR CD1 C 13 134.1 0.02 . 3 . . . . 67 TYR CD1 . 16072 1 871 . 1 1 67 67 TYR CD2 C 13 134.1 0.02 . 3 . . . . 67 TYR CD2 . 16072 1 872 . 1 1 67 67 TYR CE1 C 13 117.3 0.02 . 3 . . . . 67 TYR CE1 . 16072 1 873 . 1 1 67 67 TYR CE2 C 13 117.3 0.02 . 3 . . . . 67 TYR CE2 . 16072 1 874 . 1 1 67 67 TYR N N 15 120.2 0.2 . 1 . . . . 67 TYR N . 16072 1 875 . 1 1 68 68 PRO HA H 1 5.12 0.02 . 1 . . . . 68 PRO HA . 16072 1 876 . 1 1 68 68 PRO HB2 H 1 1.95 0.02 . 2 . . . . 68 PRO HB2 . 16072 1 877 . 1 1 68 68 PRO HB3 H 1 2.35 0.02 . 2 . . . . 68 PRO HB3 . 16072 1 878 . 1 1 68 68 PRO HD2 H 1 3.61 0.02 . 2 . . . . 68 PRO HD2 . 16072 1 879 . 1 1 68 68 PRO HD3 H 1 3.70 0.02 . 2 . . . . 68 PRO HD3 . 16072 1 880 . 1 1 68 68 PRO HG2 H 1 1.37 0.02 . 2 . . . . 68 PRO HG2 . 16072 1 881 . 1 1 68 68 PRO HG3 H 1 1.73 0.02 . 2 . . . . 68 PRO HG3 . 16072 1 882 . 1 1 68 68 PRO C C 13 174.6 0.2 . 1 . . . . 68 PRO C . 16072 1 883 . 1 1 68 68 PRO CA C 13 61.5 0.2 . 1 . . . . 68 PRO CA . 16072 1 884 . 1 1 68 68 PRO CB C 13 32.2 0.2 . 1 . . . . 68 PRO CB . 16072 1 885 . 1 1 68 68 PRO CD C 13 51.1 0.2 . 1 . . . . 68 PRO CD . 16072 1 886 . 1 1 68 68 PRO CG C 13 28.9 0.2 . 1 . . . . 68 PRO CG . 16072 1 887 . 1 1 69 69 PHE H H 1 8.87 0.02 . 1 . . . . 69 PHE H . 16072 1 888 . 1 1 69 69 PHE HA H 1 6.33 0.02 . 1 . . . . 69 PHE HA . 16072 1 889 . 1 1 69 69 PHE HB2 H 1 2.98 0.02 . 2 . . . . 69 PHE HB2 . 16072 1 890 . 1 1 69 69 PHE HB3 H 1 3.05 0.02 . 2 . . . . 69 PHE HB3 . 16072 1 891 . 1 1 69 69 PHE HD1 H 1 7.09 0.02 . 3 . . . . 69 PHE HD1 . 16072 1 892 . 1 1 69 69 PHE HD2 H 1 7.09 0.02 . 3 . . . . 69 PHE HD2 . 16072 1 893 . 1 1 69 69 PHE HE1 H 1 6.80 0.02 . 3 . . . . 69 PHE HE1 . 16072 1 894 . 1 1 69 69 PHE HE2 H 1 6.80 0.02 . 3 . . . . 69 PHE HE2 . 16072 1 895 . 1 1 69 69 PHE HZ H 1 6.46 0.02 . 1 . . . . 69 PHE HZ . 16072 1 896 . 1 1 69 69 PHE C C 13 173.0 0.2 . 1 . . . . 69 PHE C . 16072 1 897 . 1 1 69 69 PHE CA C 13 56.3 0.2 . 1 . . . . 69 PHE CA . 16072 1 898 . 1 1 69 69 PHE CB C 13 42.9 0.2 . 1 . . . . 69 PHE CB . 16072 1 899 . 1 1 69 69 PHE CD1 C 13 132.8 0.02 . 3 . . . . 69 PHE CD1 . 16072 1 900 . 1 1 69 69 PHE CD2 C 13 132.8 0.02 . 3 . . . . 69 PHE CD2 . 16072 1 901 . 1 1 69 69 PHE CE1 C 13 129.4 0.02 . 3 . . . . 69 PHE CE1 . 16072 1 902 . 1 1 69 69 PHE CE2 C 13 129.4 0.02 . 3 . . . . 69 PHE CE2 . 16072 1 903 . 1 1 69 69 PHE N N 15 118.4 0.2 . 1 . . . . 69 PHE N . 16072 1 904 . 1 1 70 70 ILE H H 1 9.06 0.02 . 1 . . . . 70 ILE H . 16072 1 905 . 1 1 70 70 ILE HA H 1 4.84 0.02 . 1 . . . . 70 ILE HA . 16072 1 906 . 1 1 70 70 ILE HB H 1 1.87 0.02 . 1 . . . . 70 ILE HB . 16072 1 907 . 1 1 70 70 ILE HD11 H 1 1.03 0.02 . 1 . . . . 70 ILE HD1 . 16072 1 908 . 1 1 70 70 ILE HD12 H 1 1.03 0.02 . 1 . . . . 70 ILE HD1 . 16072 1 909 . 1 1 70 70 ILE HD13 H 1 1.03 0.02 . 1 . . . . 70 ILE HD1 . 16072 1 910 . 1 1 70 70 ILE HG12 H 1 1.04 0.02 . 2 . . . . 70 ILE HG12 . 16072 1 911 . 1 1 70 70 ILE HG13 H 1 1.96 0.02 . 2 . . . . 70 ILE HG13 . 16072 1 912 . 1 1 70 70 ILE HG21 H 1 0.81 0.02 . 1 . . . . 70 ILE HG2 . 16072 1 913 . 1 1 70 70 ILE HG22 H 1 0.81 0.02 . 1 . . . . 70 ILE HG2 . 16072 1 914 . 1 1 70 70 ILE HG23 H 1 0.81 0.02 . 1 . . . . 70 ILE HG2 . 16072 1 915 . 1 1 70 70 ILE C C 13 175.7 0.2 . 1 . . . . 70 ILE C . 16072 1 916 . 1 1 70 70 ILE CA C 13 61.9 0.2 . 1 . . . . 70 ILE CA . 16072 1 917 . 1 1 70 70 ILE CB C 13 43.0 0.2 . 1 . . . . 70 ILE CB . 16072 1 918 . 1 1 70 70 ILE CD1 C 13 13.0 0.2 . 1 . . . . 70 ILE CD1 . 16072 1 919 . 1 1 70 70 ILE CG1 C 13 29.5 0.2 . 1 . . . . 70 ILE CG1 . 16072 1 920 . 1 1 70 70 ILE CG2 C 13 18.5 0.2 . 1 . . . . 70 ILE CG2 . 16072 1 921 . 1 1 70 70 ILE N N 15 117.7 0.2 . 1 . . . . 70 ILE N . 16072 1 922 . 1 1 71 71 LEU H H 1 9.32 0.02 . 1 . . . . 71 LEU H . 16072 1 923 . 1 1 71 71 LEU HA H 1 5.72 0.02 . 1 . . . . 71 LEU HA . 16072 1 924 . 1 1 71 71 LEU HB2 H 1 1.41 0.02 . 2 . . . . 71 LEU HB2 . 16072 1 925 . 1 1 71 71 LEU HB3 H 1 1.86 0.02 . 2 . . . . 71 LEU HB3 . 16072 1 926 . 1 1 71 71 LEU HD11 H 1 0.74 0.02 . 1 . . . . 71 LEU HD1 . 16072 1 927 . 1 1 71 71 LEU HD12 H 1 0.74 0.02 . 1 . . . . 71 LEU HD1 . 16072 1 928 . 1 1 71 71 LEU HD13 H 1 0.74 0.02 . 1 . . . . 71 LEU HD1 . 16072 1 929 . 1 1 71 71 LEU HD21 H 1 0.90 0.02 . 1 . . . . 71 LEU HD2 . 16072 1 930 . 1 1 71 71 LEU HD22 H 1 0.90 0.02 . 1 . . . . 71 LEU HD2 . 16072 1 931 . 1 1 71 71 LEU HD23 H 1 0.90 0.02 . 1 . . . . 71 LEU HD2 . 16072 1 932 . 1 1 71 71 LEU HG H 1 1.91 0.02 . 1 . . . . 71 LEU HG . 16072 1 933 . 1 1 71 71 LEU C C 13 175.6 0.2 . 1 . . . . 71 LEU C . 16072 1 934 . 1 1 71 71 LEU CA C 13 52.4 0.2 . 1 . . . . 71 LEU CA . 16072 1 935 . 1 1 71 71 LEU CB C 13 43.7 0.2 . 1 . . . . 71 LEU CB . 16072 1 936 . 1 1 71 71 LEU CD1 C 13 25.8 0.02 . 1 . . . . 71 LEU CD1 . 16072 1 937 . 1 1 71 71 LEU CD2 C 13 23.8 0.02 . 1 . . . . 71 LEU CD2 . 16072 1 938 . 1 1 71 71 LEU CG C 13 27.5 0.2 . 1 . . . . 71 LEU CG . 16072 1 939 . 1 1 71 71 LEU N N 15 124.8 0.2 . 1 . . . . 71 LEU N . 16072 1 940 . 1 1 72 72 TYR H H 1 9.25 0.02 . 1 . . . . 72 TYR H . 16072 1 941 . 1 1 72 72 TYR HA H 1 5.35 0.02 . 1 . . . . 72 TYR HA . 16072 1 942 . 1 1 72 72 TYR HB2 H 1 2.83 0.02 . 2 . . . . 72 TYR HB2 . 16072 1 943 . 1 1 72 72 TYR HB3 H 1 2.92 0.02 . 2 . . . . 72 TYR HB3 . 16072 1 944 . 1 1 72 72 TYR HD1 H 1 6.75 0.02 . 3 . . . . 72 TYR HD1 . 16072 1 945 . 1 1 72 72 TYR HD2 H 1 6.75 0.02 . 3 . . . . 72 TYR HD2 . 16072 1 946 . 1 1 72 72 TYR HE1 H 1 6.75 0.02 . 3 . . . . 72 TYR HE1 . 16072 1 947 . 1 1 72 72 TYR HE2 H 1 6.75 0.02 . 3 . . . . 72 TYR HE2 . 16072 1 948 . 1 1 72 72 TYR C C 13 174.1 0.2 . 1 . . . . 72 TYR C . 16072 1 949 . 1 1 72 72 TYR CA C 13 57.3 0.2 . 1 . . . . 72 TYR CA . 16072 1 950 . 1 1 72 72 TYR CB C 13 44.5 0.2 . 1 . . . . 72 TYR CB . 16072 1 951 . 1 1 72 72 TYR CD1 C 13 132.5 0.02 . 3 . . . . 72 TYR CD1 . 16072 1 952 . 1 1 72 72 TYR CD2 C 13 132.5 0.02 . 3 . . . . 72 TYR CD2 . 16072 1 953 . 1 1 72 72 TYR CE1 C 13 117.7 0.02 . 3 . . . . 72 TYR CE1 . 16072 1 954 . 1 1 72 72 TYR CE2 C 13 117.7 0.02 . 3 . . . . 72 TYR CE2 . 16072 1 955 . 1 1 72 72 TYR N N 15 120.7 0.2 . 1 . . . . 72 TYR N . 16072 1 956 . 1 1 73 73 TYR H H 1 9.25 0.02 . 1 . . . . 73 TYR H . 16072 1 957 . 1 1 73 73 TYR HA H 1 5.11 0.02 . 1 . . . . 73 TYR HA . 16072 1 958 . 1 1 73 73 TYR HB2 H 1 2.72 0.02 . 2 . . . . 73 TYR HB2 . 16072 1 959 . 1 1 73 73 TYR HB3 H 1 2.85 0.02 . 2 . . . . 73 TYR HB3 . 16072 1 960 . 1 1 73 73 TYR HD1 H 1 7.36 0.02 . 3 . . . . 73 TYR HD1 . 16072 1 961 . 1 1 73 73 TYR HD2 H 1 7.36 0.02 . 3 . . . . 73 TYR HD2 . 16072 1 962 . 1 1 73 73 TYR HE1 H 1 6.93 0.02 . 3 . . . . 73 TYR HE1 . 16072 1 963 . 1 1 73 73 TYR HE2 H 1 6.93 0.02 . 3 . . . . 73 TYR HE2 . 16072 1 964 . 1 1 73 73 TYR C C 13 174.5 0.2 . 1 . . . . 73 TYR C . 16072 1 965 . 1 1 73 73 TYR CA C 13 56.5 0.2 . 1 . . . . 73 TYR CA . 16072 1 966 . 1 1 73 73 TYR CB C 13 40.4 0.2 . 1 . . . . 73 TYR CB . 16072 1 967 . 1 1 73 73 TYR CD1 C 13 133.6 0.02 . 3 . . . . 73 TYR CD1 . 16072 1 968 . 1 1 73 73 TYR CD2 C 13 133.6 0.02 . 3 . . . . 73 TYR CD2 . 16072 1 969 . 1 1 73 73 TYR CE1 C 13 117.9 0.02 . 3 . . . . 73 TYR CE1 . 16072 1 970 . 1 1 73 73 TYR CE2 C 13 117.9 0.02 . 3 . . . . 73 TYR CE2 . 16072 1 971 . 1 1 73 73 TYR N N 15 120.3 0.2 . 1 . . . . 73 TYR N . 16072 1 972 . 1 1 74 74 GLN H H 1 9.31 0.02 . 1 . . . . 74 GLN H . 16072 1 973 . 1 1 74 74 GLN HA H 1 3.53 0.02 . 1 . . . . 74 GLN HA . 16072 1 974 . 1 1 74 74 GLN HB2 H 1 1.79 0.02 . 2 . . . . 74 GLN HB2 . 16072 1 975 . 1 1 74 74 GLN HB3 H 1 1.79 0.02 . 2 . . . . 74 GLN HB3 . 16072 1 976 . 1 1 74 74 GLN HE21 H 1 7.17 0.02 . 2 . . . . 74 GLN HE21 . 16072 1 977 . 1 1 74 74 GLN HE22 H 1 6.74 0.02 . 2 . . . . 74 GLN HE22 . 16072 1 978 . 1 1 74 74 GLN HG2 H 1 1.45 0.02 . 2 . . . . 74 GLN HG2 . 16072 1 979 . 1 1 74 74 GLN HG3 H 1 1.67 0.02 . 2 . . . . 74 GLN HG3 . 16072 1 980 . 1 1 74 74 GLN C C 13 175.4 0.2 . 1 . . . . 74 GLN C . 16072 1 981 . 1 1 74 74 GLN CA C 13 57.2 0.2 . 1 . . . . 74 GLN CA . 16072 1 982 . 1 1 74 74 GLN CB C 13 25.5 0.2 . 1 . . . . 74 GLN CB . 16072 1 983 . 1 1 74 74 GLN CD C 13 180.3 0.2 . 1 . . . . 74 GLN CD . 16072 1 984 . 1 1 74 74 GLN CG C 13 32.9 0.2 . 1 . . . . 74 GLN CG . 16072 1 985 . 1 1 74 74 GLN N N 15 126.0 0.2 . 1 . . . . 74 GLN N . 16072 1 986 . 1 1 74 74 GLN NE2 N 15 111.5 0.2 . 1 . . . . 74 GLN NE2 . 16072 1 987 . 1 1 75 75 LYS H H 1 8.53 0.02 . 1 . . . . 75 LYS H . 16072 1 988 . 1 1 75 75 LYS HA H 1 3.82 0.02 . 1 . . . . 75 LYS HA . 16072 1 989 . 1 1 75 75 LYS HB2 H 1 1.92 0.02 . 2 . . . . 75 LYS HB2 . 16072 1 990 . 1 1 75 75 LYS HB3 H 1 1.98 0.02 . 2 . . . . 75 LYS HB3 . 16072 1 991 . 1 1 75 75 LYS HD2 H 1 1.52 0.02 . 2 . . . . 75 LYS HD2 . 16072 1 992 . 1 1 75 75 LYS HD3 H 1 1.55 0.02 . 2 . . . . 75 LYS HD3 . 16072 1 993 . 1 1 75 75 LYS HE2 H 1 2.87 0.02 . 2 . . . . 75 LYS HE2 . 16072 1 994 . 1 1 75 75 LYS HE3 H 1 2.87 0.02 . 2 . . . . 75 LYS HE3 . 16072 1 995 . 1 1 75 75 LYS HG2 H 1 1.21 0.02 . 2 . . . . 75 LYS HG2 . 16072 1 996 . 1 1 75 75 LYS HG3 H 1 1.32 0.02 . 2 . . . . 75 LYS HG3 . 16072 1 997 . 1 1 75 75 LYS C C 13 175.5 0.2 . 1 . . . . 75 LYS C . 16072 1 998 . 1 1 75 75 LYS CA C 13 57.3 0.2 . 1 . . . . 75 LYS CA . 16072 1 999 . 1 1 75 75 LYS CB C 13 30.9 0.2 . 1 . . . . 75 LYS CB . 16072 1 1000 . 1 1 75 75 LYS CD C 13 28.5 0.2 . 1 . . . . 75 LYS CD . 16072 1 1001 . 1 1 75 75 LYS CE C 13 41.8 0.2 . 1 . . . . 75 LYS CE . 16072 1 1002 . 1 1 75 75 LYS CG C 13 25.1 0.2 . 1 . . . . 75 LYS CG . 16072 1 1003 . 1 1 75 75 LYS N N 15 113.6 0.2 . 1 . . . . 75 LYS N . 16072 1 1004 . 1 1 76 76 GLN H H 1 8.55 0.02 . 1 . . . . 76 GLN H . 16072 1 1005 . 1 1 76 76 GLN HA H 1 4.47 0.02 . 1 . . . . 76 GLN HA . 16072 1 1006 . 1 1 76 76 GLN HB2 H 1 2.10 0.02 . 2 . . . . 76 GLN HB2 . 16072 1 1007 . 1 1 76 76 GLN HB3 H 1 2.38 0.02 . 2 . . . . 76 GLN HB3 . 16072 1 1008 . 1 1 76 76 GLN HE21 H 1 7.20 0.02 . 2 . . . . 76 GLN HE21 . 16072 1 1009 . 1 1 76 76 GLN HE22 H 1 6.43 0.02 . 2 . . . . 76 GLN HE22 . 16072 1 1010 . 1 1 76 76 GLN HG2 H 1 2.16 0.02 . 2 . . . . 76 GLN HG2 . 16072 1 1011 . 1 1 76 76 GLN HG3 H 1 2.21 0.02 . 2 . . . . 76 GLN HG3 . 16072 1 1012 . 1 1 76 76 GLN C C 13 175.4 0.2 . 1 . . . . 76 GLN C . 16072 1 1013 . 1 1 76 76 GLN CA C 13 54.7 0.2 . 1 . . . . 76 GLN CA . 16072 1 1014 . 1 1 76 76 GLN CB C 13 29.9 0.2 . 1 . . . . 76 GLN CB . 16072 1 1015 . 1 1 76 76 GLN CD C 13 179.5 0.2 . 1 . . . . 76 GLN CD . 16072 1 1016 . 1 1 76 76 GLN CG C 13 33.4 0.2 . 1 . . . . 76 GLN CG . 16072 1 1017 . 1 1 76 76 GLN N N 15 122.2 0.2 . 1 . . . . 76 GLN N . 16072 1 1018 . 1 1 76 76 GLN NE2 N 15 109.9 0.2 . 1 . . . . 76 GLN NE2 . 16072 1 1019 . 1 1 77 77 LEU H H 1 8.86 0.02 . 1 . . . . 77 LEU H . 16072 1 1020 . 1 1 77 77 LEU HA H 1 3.94 0.02 . 1 . . . . 77 LEU HA . 16072 1 1021 . 1 1 77 77 LEU HB2 H 1 1.40 0.02 . 2 . . . . 77 LEU HB2 . 16072 1 1022 . 1 1 77 77 LEU HB3 H 1 1.76 0.02 . 2 . . . . 77 LEU HB3 . 16072 1 1023 . 1 1 77 77 LEU HD11 H 1 0.55 0.02 . 1 . . . . 77 LEU HD1 . 16072 1 1024 . 1 1 77 77 LEU HD12 H 1 0.55 0.02 . 1 . . . . 77 LEU HD1 . 16072 1 1025 . 1 1 77 77 LEU HD13 H 1 0.55 0.02 . 1 . . . . 77 LEU HD1 . 16072 1 1026 . 1 1 77 77 LEU HD21 H 1 0.48 0.02 . 1 . . . . 77 LEU HD2 . 16072 1 1027 . 1 1 77 77 LEU HD22 H 1 0.48 0.02 . 1 . . . . 77 LEU HD2 . 16072 1 1028 . 1 1 77 77 LEU HD23 H 1 0.48 0.02 . 1 . . . . 77 LEU HD2 . 16072 1 1029 . 1 1 77 77 LEU HG H 1 1.27 0.02 . 1 . . . . 77 LEU HG . 16072 1 1030 . 1 1 77 77 LEU C C 13 175.3 0.2 . 1 . . . . 77 LEU C . 16072 1 1031 . 1 1 77 77 LEU CA C 13 56.8 0.2 . 1 . . . . 77 LEU CA . 16072 1 1032 . 1 1 77 77 LEU CB C 13 41.8 0.2 . 1 . . . . 77 LEU CB . 16072 1 1033 . 1 1 77 77 LEU CD1 C 13 22.9 0.02 . 1 . . . . 77 LEU CD1 . 16072 1 1034 . 1 1 77 77 LEU CD2 C 13 26.5 0.02 . 1 . . . . 77 LEU CD2 . 16072 1 1035 . 1 1 77 77 LEU CG C 13 26.9 0.2 . 1 . . . . 77 LEU CG . 16072 1 1036 . 1 1 77 77 LEU N N 15 128.9 0.2 . 1 . . . . 77 LEU N . 16072 1 1037 . 1 1 78 78 ILE H H 1 8.88 0.02 . 1 . . . . 78 ILE H . 16072 1 1038 . 1 1 78 78 ILE HA H 1 4.81 0.02 . 1 . . . . 78 ILE HA . 16072 1 1039 . 1 1 78 78 ILE HB H 1 1.82 0.02 . 1 . . . . 78 ILE HB . 16072 1 1040 . 1 1 78 78 ILE HD11 H 1 0.75 0.02 . 1 . . . . 78 ILE HD1 . 16072 1 1041 . 1 1 78 78 ILE HD12 H 1 0.75 0.02 . 1 . . . . 78 ILE HD1 . 16072 1 1042 . 1 1 78 78 ILE HD13 H 1 0.75 0.02 . 1 . . . . 78 ILE HD1 . 16072 1 1043 . 1 1 78 78 ILE HG12 H 1 1.15 0.02 . 2 . . . . 78 ILE HG12 . 16072 1 1044 . 1 1 78 78 ILE HG13 H 1 1.76 0.02 . 2 . . . . 78 ILE HG13 . 16072 1 1045 . 1 1 78 78 ILE HG21 H 1 1.02 0.02 . 1 . . . . 78 ILE HG2 . 16072 1 1046 . 1 1 78 78 ILE HG22 H 1 1.02 0.02 . 1 . . . . 78 ILE HG2 . 16072 1 1047 . 1 1 78 78 ILE HG23 H 1 1.02 0.02 . 1 . . . . 78 ILE HG2 . 16072 1 1048 . 1 1 78 78 ILE C C 13 174.6 0.2 . 1 . . . . 78 ILE C . 16072 1 1049 . 1 1 78 78 ILE CA C 13 58.3 0.2 . 1 . . . . 78 ILE CA . 16072 1 1050 . 1 1 78 78 ILE CB C 13 38.27 0.2 . 1 . . . . 78 ILE CB . 16072 1 1051 . 1 1 78 78 ILE CD1 C 13 9.8 0.2 . 1 . . . . 78 ILE CD1 . 16072 1 1052 . 1 1 78 78 ILE CG1 C 13 27.6 0.2 . 1 . . . . 78 ILE CG1 . 16072 1 1053 . 1 1 78 78 ILE CG2 C 13 17.0 0.2 . 1 . . . . 78 ILE CG2 . 16072 1 1054 . 1 1 78 78 ILE N N 15 126.9 0.2 . 1 . . . . 78 ILE N . 16072 1 1055 . 1 1 79 79 ALA H H 1 7.94 0.02 . 1 . . . . 79 ALA H . 16072 1 1056 . 1 1 79 79 ALA HA H 1 5.39 0.02 . 1 . . . . 79 ALA HA . 16072 1 1057 . 1 1 79 79 ALA HB1 H 1 1.75 0.02 . 1 . . . . 79 ALA HB . 16072 1 1058 . 1 1 79 79 ALA HB2 H 1 1.75 0.02 . 1 . . . . 79 ALA HB . 16072 1 1059 . 1 1 79 79 ALA HB3 H 1 1.75 0.02 . 1 . . . . 79 ALA HB . 16072 1 1060 . 1 1 79 79 ALA C C 13 175.3 0.2 . 1 . . . . 79 ALA C . 16072 1 1061 . 1 1 79 79 ALA CA C 13 51.6 0.2 . 1 . . . . 79 ALA CA . 16072 1 1062 . 1 1 79 79 ALA CB C 13 24.0 0.2 . 1 . . . . 79 ALA CB . 16072 1 1063 . 1 1 79 79 ALA N N 15 115.0 0.2 . 1 . . . . 79 ALA N . 16072 1 1064 . 1 1 80 80 ILE H H 1 8.58 0.02 . 1 . . . . 80 ILE H . 16072 1 1065 . 1 1 80 80 ILE HA H 1 4.84 0.02 . 1 . . . . 80 ILE HA . 16072 1 1066 . 1 1 80 80 ILE HB H 1 1.55 0.02 . 1 . . . . 80 ILE HB . 16072 1 1067 . 1 1 80 80 ILE HD11 H 1 0.77 0.02 . 1 . . . . 80 ILE HD1 . 16072 1 1068 . 1 1 80 80 ILE HD12 H 1 0.77 0.02 . 1 . . . . 80 ILE HD1 . 16072 1 1069 . 1 1 80 80 ILE HD13 H 1 0.77 0.02 . 1 . . . . 80 ILE HD1 . 16072 1 1070 . 1 1 80 80 ILE HG12 H 1 1.12 0.02 . 2 . . . . 80 ILE HG12 . 16072 1 1071 . 1 1 80 80 ILE HG13 H 1 1.77 0.02 . 2 . . . . 80 ILE HG13 . 16072 1 1072 . 1 1 80 80 ILE HG21 H 1 1.00 0.02 . 1 . . . . 80 ILE HG2 . 16072 1 1073 . 1 1 80 80 ILE HG22 H 1 1.00 0.02 . 1 . . . . 80 ILE HG2 . 16072 1 1074 . 1 1 80 80 ILE HG23 H 1 1.00 0.02 . 1 . . . . 80 ILE HG2 . 16072 1 1075 . 1 1 80 80 ILE C C 13 175.0 0.2 . 1 . . . . 80 ILE C . 16072 1 1076 . 1 1 80 80 ILE CA C 13 60.3 0.2 . 1 . . . . 80 ILE CA . 16072 1 1077 . 1 1 80 80 ILE CB C 13 42.8 0.2 . 1 . . . . 80 ILE CB . 16072 1 1078 . 1 1 80 80 ILE CD1 C 13 15.2 0.2 . 1 . . . . 80 ILE CD1 . 16072 1 1079 . 1 1 80 80 ILE CG1 C 13 27.6 0.2 . 1 . . . . 80 ILE CG1 . 16072 1 1080 . 1 1 80 80 ILE CG2 C 13 19.0 0.2 . 1 . . . . 80 ILE CG2 . 16072 1 1081 . 1 1 80 80 ILE N N 15 117.9 0.2 . 1 . . . . 80 ILE N . 16072 1 1082 . 1 1 81 81 GLY H H 1 8.20 0.02 . 1 . . . . 81 GLY H . 16072 1 1083 . 1 1 81 81 GLY HA2 H 1 3.75 0.02 . 2 . . . . 81 GLY HA2 . 16072 1 1084 . 1 1 81 81 GLY HA3 H 1 4.07 0.02 . 2 . . . . 81 GLY HA3 . 16072 1 1085 . 1 1 81 81 GLY C C 13 169.1 0.2 . 1 . . . . 81 GLY C . 16072 1 1086 . 1 1 81 81 GLY CA C 13 46.6 0.2 . 1 . . . . 81 GLY CA . 16072 1 1087 . 1 1 81 81 GLY N N 15 116.4 0.2 . 1 . . . . 81 GLY N . 16072 1 1088 . 1 1 82 82 PHE H H 1 8.21 0.02 . 1 . . . . 82 PHE H . 16072 1 1089 . 1 1 82 82 PHE HA H 1 5.34 0.02 . 1 . . . . 82 PHE HA . 16072 1 1090 . 1 1 82 82 PHE HB2 H 1 2.54 0.02 . 2 . . . . 82 PHE HB2 . 16072 1 1091 . 1 1 82 82 PHE HB3 H 1 2.93 0.02 . 2 . . . . 82 PHE HB3 . 16072 1 1092 . 1 1 82 82 PHE HD1 H 1 6.76 0.02 . 3 . . . . 82 PHE HD1 . 16072 1 1093 . 1 1 82 82 PHE HD2 H 1 6.76 0.02 . 3 . . . . 82 PHE HD2 . 16072 1 1094 . 1 1 82 82 PHE C C 13 172.4 0.2 . 1 . . . . 82 PHE C . 16072 1 1095 . 1 1 82 82 PHE CA C 13 56.3 0.2 . 1 . . . . 82 PHE CA . 16072 1 1096 . 1 1 82 82 PHE CB C 13 40.1 0.2 . 1 . . . . 82 PHE CB . 16072 1 1097 . 1 1 82 82 PHE CD1 C 13 132.4 0.02 . 3 . . . . 82 PHE CD1 . 16072 1 1098 . 1 1 82 82 PHE CD2 C 13 132.4 0.02 . 3 . . . . 82 PHE CD2 . 16072 1 1099 . 1 1 82 82 PHE N N 15 114.5 0.2 . 1 . . . . 82 PHE N . 16072 1 1100 . 1 1 83 83 ILE H H 1 8.49 0.02 . 1 . . . . 83 ILE H . 16072 1 1101 . 1 1 83 83 ILE HA H 1 4.74 0.02 . 1 . . . . 83 ILE HA . 16072 1 1102 . 1 1 83 83 ILE HB H 1 1.99 0.02 . 1 . . . . 83 ILE HB . 16072 1 1103 . 1 1 83 83 ILE HD11 H 1 0.75 0.02 . 1 . . . . 83 ILE HD1 . 16072 1 1104 . 1 1 83 83 ILE HD12 H 1 0.75 0.02 . 1 . . . . 83 ILE HD1 . 16072 1 1105 . 1 1 83 83 ILE HD13 H 1 0.75 0.02 . 1 . . . . 83 ILE HD1 . 16072 1 1106 . 1 1 83 83 ILE HG12 H 1 0.90 0.02 . 2 . . . . 83 ILE HG12 . 16072 1 1107 . 1 1 83 83 ILE HG13 H 1 1.93 0.02 . 2 . . . . 83 ILE HG13 . 16072 1 1108 . 1 1 83 83 ILE HG21 H 1 0.98 0.02 . 1 . . . . 83 ILE HG2 . 16072 1 1109 . 1 1 83 83 ILE HG22 H 1 0.98 0.02 . 1 . . . . 83 ILE HG2 . 16072 1 1110 . 1 1 83 83 ILE HG23 H 1 0.98 0.02 . 1 . . . . 83 ILE HG2 . 16072 1 1111 . 1 1 83 83 ILE C C 13 175.2 0.2 . 1 . . . . 83 ILE C . 16072 1 1112 . 1 1 83 83 ILE CA C 13 60.4 0.2 . 1 . . . . 83 ILE CA . 16072 1 1113 . 1 1 83 83 ILE CB C 13 39.5 0.2 . 1 . . . . 83 ILE CB . 16072 1 1114 . 1 1 83 83 ILE CD1 C 13 13.1 0.2 . 1 . . . . 83 ILE CD1 . 16072 1 1115 . 1 1 83 83 ILE CG1 C 13 28.8 0.2 . 1 . . . . 83 ILE CG1 . 16072 1 1116 . 1 1 83 83 ILE CG2 C 13 17.8 0.2 . 1 . . . . 83 ILE CG2 . 16072 1 1117 . 1 1 83 83 ILE N N 15 123.4 0.2 . 1 . . . . 83 ILE N . 16072 1 1118 . 1 1 84 84 ASP H H 1 8.55 0.02 . 1 . . . . 84 ASP H . 16072 1 1119 . 1 1 84 84 ASP HA H 1 5.17 0.02 . 1 . . . . 84 ASP HA . 16072 1 1120 . 1 1 84 84 ASP HB2 H 1 2.82 0.02 . 2 . . . . 84 ASP HB2 . 16072 1 1121 . 1 1 84 84 ASP HB3 H 1 3.51 0.02 . 2 . . . . 84 ASP HB3 . 16072 1 1122 . 1 1 84 84 ASP C C 13 178.6 0.2 . 1 . . . . 84 ASP C . 16072 1 1123 . 1 1 84 84 ASP CA C 13 52.2 0.2 . 1 . . . . 84 ASP CA . 16072 1 1124 . 1 1 84 84 ASP CB C 13 42.4 0.2 . 1 . . . . 84 ASP CB . 16072 1 1125 . 1 1 84 84 ASP N N 15 126.9 0.2 . 1 . . . . 84 ASP N . 16072 1 1126 . 1 1 85 85 GLU H H 1 9.25 0.02 . 1 . . . . 85 GLU H . 16072 1 1127 . 1 1 85 85 GLU HA H 1 4.35 0.02 . 1 . . . . 85 GLU HA . 16072 1 1128 . 1 1 85 85 GLU HB2 H 1 2.10 0.02 . 2 . . . . 85 GLU HB2 . 16072 1 1129 . 1 1 85 85 GLU HB3 H 1 2.10 0.02 . 2 . . . . 85 GLU HB3 . 16072 1 1130 . 1 1 85 85 GLU HG2 H 1 2.20 0.02 . 2 . . . . 85 GLU HG2 . 16072 1 1131 . 1 1 85 85 GLU HG3 H 1 2.28 0.02 . 2 . . . . 85 GLU HG3 . 16072 1 1132 . 1 1 85 85 GLU C C 13 176.8 0.2 . 1 . . . . 85 GLU C . 16072 1 1133 . 1 1 85 85 GLU CA C 13 58.4 0.2 . 1 . . . . 85 GLU CA . 16072 1 1134 . 1 1 85 85 GLU CB C 13 28.7 0.2 . 1 . . . . 85 GLU CB . 16072 1 1135 . 1 1 85 85 GLU CG C 13 34.9 0.2 . 1 . . . . 85 GLU CG . 16072 1 1136 . 1 1 85 85 GLU N N 15 118.0 0.2 . 1 . . . . 85 GLU N . 16072 1 1137 . 1 1 86 86 ASN H H 1 8.28 0.02 . 1 . . . . 86 ASN H . 16072 1 1138 . 1 1 86 86 ASN HA H 1 4.76 0.02 . 1 . . . . 86 ASN HA . 16072 1 1139 . 1 1 86 86 ASN HB2 H 1 2.87 0.02 . 2 . . . . 86 ASN HB2 . 16072 1 1140 . 1 1 86 86 ASN HB3 H 1 2.91 0.02 . 2 . . . . 86 ASN HB3 . 16072 1 1141 . 1 1 86 86 ASN HD21 H 1 8.14 0.02 . 1 . . . . 86 ASN HD21 . 16072 1 1142 . 1 1 86 86 ASN HD22 H 1 6.97 0.02 . 1 . . . . 86 ASN HD22 . 16072 1 1143 . 1 1 86 86 ASN C C 13 174.6 0.2 . 1 . . . . 86 ASN C . 16072 1 1144 . 1 1 86 86 ASN CA C 13 52.8 0.2 . 1 . . . . 86 ASN CA . 16072 1 1145 . 1 1 86 86 ASN CB C 13 38.9 0.2 . 1 . . . . 86 ASN CB . 16072 1 1146 . 1 1 86 86 ASN CG C 13 177.5 0.2 . 1 . . . . 86 ASN CG . 16072 1 1147 . 1 1 86 86 ASN N N 15 118.3 0.2 . 1 . . . . 86 ASN N . 16072 1 1148 . 1 1 86 86 ASN ND2 N 15 116.2 0.2 . 1 . . . . 86 ASN ND2 . 16072 1 1149 . 1 1 87 87 HIS H H 1 8.57 0.02 . 1 . . . . 87 HIS H . 16072 1 1150 . 1 1 87 87 HIS HA H 1 3.94 0.02 . 1 . . . . 87 HIS HA . 16072 1 1151 . 1 1 87 87 HIS HB2 H 1 3.48 0.02 . 2 . . . . 87 HIS HB2 . 16072 1 1152 . 1 1 87 87 HIS HB3 H 1 3.52 0.02 . 2 . . . . 87 HIS HB3 . 16072 1 1153 . 1 1 87 87 HIS HD2 H 1 7.21 0.02 . 1 . . . . 87 HIS HD2 . 16072 1 1154 . 1 1 87 87 HIS C C 13 173.6 0.2 . 1 . . . . 87 HIS C . 16072 1 1155 . 1 1 87 87 HIS CA C 13 57.0 0.2 . 1 . . . . 87 HIS CA . 16072 1 1156 . 1 1 87 87 HIS CB C 13 26.7 0.2 . 1 . . . . 87 HIS CB . 16072 1 1157 . 1 1 87 87 HIS CD2 C 13 119.9 0.2 . 1 . . . . 87 HIS CD2 . 16072 1 1158 . 1 1 87 87 HIS N N 15 114.0 0.2 . 1 . . . . 87 HIS N . 16072 1 1159 . 1 1 88 88 ASP H H 1 8.21 0.02 . 1 . . . . 88 ASP H . 16072 1 1160 . 1 1 88 88 ASP HA H 1 4.84 0.02 . 1 . . . . 88 ASP HA . 16072 1 1161 . 1 1 88 88 ASP HB2 H 1 2.53 0.02 . 2 . . . . 88 ASP HB2 . 16072 1 1162 . 1 1 88 88 ASP HB3 H 1 2.84 0.02 . 2 . . . . 88 ASP HB3 . 16072 1 1163 . 1 1 88 88 ASP C C 13 174.8 0.2 . 1 . . . . 88 ASP C . 16072 1 1164 . 1 1 88 88 ASP CA C 13 53.9 0.2 . 1 . . . . 88 ASP CA . 16072 1 1165 . 1 1 88 88 ASP CB C 13 41.5 0.2 . 1 . . . . 88 ASP CB . 16072 1 1166 . 1 1 88 88 ASP N N 15 120.3 0.2 . 1 . . . . 88 ASP N . 16072 1 1167 . 1 1 89 89 MET H H 1 8.55 0.02 . 1 . . . . 89 MET H . 16072 1 1168 . 1 1 89 89 MET HA H 1 4.45 0.02 . 1 . . . . 89 MET HA . 16072 1 1169 . 1 1 89 89 MET HB2 H 1 1.25 0.02 . 2 . . . . 89 MET HB2 . 16072 1 1170 . 1 1 89 89 MET HB3 H 1 1.68 0.02 . 2 . . . . 89 MET HB3 . 16072 1 1171 . 1 1 89 89 MET HE1 H 1 1.53 0.02 . 1 . . . . 89 MET HE . 16072 1 1172 . 1 1 89 89 MET HE2 H 1 1.53 0.02 . 1 . . . . 89 MET HE . 16072 1 1173 . 1 1 89 89 MET HE3 H 1 1.53 0.02 . 1 . . . . 89 MET HE . 16072 1 1174 . 1 1 89 89 MET HG2 H 1 1.84 0.02 . 2 . . . . 89 MET HG2 . 16072 1 1175 . 1 1 89 89 MET HG3 H 1 2.43 0.02 . 2 . . . . 89 MET HG3 . 16072 1 1176 . 1 1 89 89 MET C C 13 173.4 0.2 . 1 . . . . 89 MET C . 16072 1 1177 . 1 1 89 89 MET CA C 13 55.8 0.2 . 1 . . . . 89 MET CA . 16072 1 1178 . 1 1 89 89 MET CB C 13 34.7 0.2 . 1 . . . . 89 MET CB . 16072 1 1179 . 1 1 89 89 MET CE C 13 17.4 0.2 . 1 . . . . 89 MET CE . 16072 1 1180 . 1 1 89 89 MET CG C 13 33.3 0.2 . 1 . . . . 89 MET CG . 16072 1 1181 . 1 1 89 89 MET N N 15 120.4 0.2 . 1 . . . . 89 MET N . 16072 1 1182 . 1 1 90 90 ASP H H 1 8.42 0.02 . 1 . . . . 90 ASP H . 16072 1 1183 . 1 1 90 90 ASP HA H 1 4.58 0.02 . 1 . . . . 90 ASP HA . 16072 1 1184 . 1 1 90 90 ASP HB2 H 1 1.60 0.02 . 2 . . . . 90 ASP HB2 . 16072 1 1185 . 1 1 90 90 ASP HB3 H 1 1.69 0.02 . 2 . . . . 90 ASP HB3 . 16072 1 1186 . 1 1 90 90 ASP C C 13 174.6 0.2 . 1 . . . . 90 ASP C . 16072 1 1187 . 1 1 90 90 ASP CA C 13 52.3 0.2 . 1 . . . . 90 ASP CA . 16072 1 1188 . 1 1 90 90 ASP CB C 13 41.8 0.2 . 1 . . . . 90 ASP CB . 16072 1 1189 . 1 1 90 90 ASP N N 15 126.9 0.2 . 1 . . . . 90 ASP N . 16072 1 1190 . 1 1 91 91 PHE H H 1 8.35 0.02 . 1 . . . . 91 PHE H . 16072 1 1191 . 1 1 91 91 PHE HA H 1 4.78 0.02 . 1 . . . . 91 PHE HA . 16072 1 1192 . 1 1 91 91 PHE HB2 H 1 2.70 0.02 . 2 . . . . 91 PHE HB2 . 16072 1 1193 . 1 1 91 91 PHE HB3 H 1 2.70 0.02 . 2 . . . . 91 PHE HB3 . 16072 1 1194 . 1 1 91 91 PHE HD1 H 1 7.33 0.02 . 3 . . . . 91 PHE HD1 . 16072 1 1195 . 1 1 91 91 PHE HD2 H 1 7.33 0.02 . 3 . . . . 91 PHE HD2 . 16072 1 1196 . 1 1 91 91 PHE HE1 H 1 7.18 0.02 . 3 . . . . 91 PHE HE1 . 16072 1 1197 . 1 1 91 91 PHE HE2 H 1 7.18 0.02 . 3 . . . . 91 PHE HE2 . 16072 1 1198 . 1 1 91 91 PHE HZ H 1 7.08 0.02 . 1 . . . . 91 PHE HZ . 16072 1 1199 . 1 1 91 91 PHE C C 13 175.6 0.2 . 1 . . . . 91 PHE C . 16072 1 1200 . 1 1 91 91 PHE CA C 13 58.2 0.2 . 1 . . . . 91 PHE CA . 16072 1 1201 . 1 1 91 91 PHE CB C 13 41.4 0.2 . 1 . . . . 91 PHE CB . 16072 1 1202 . 1 1 91 91 PHE CD1 C 13 131.9 0.02 . 3 . . . . 91 PHE CD1 . 16072 1 1203 . 1 1 91 91 PHE CD2 C 13 131.9 0.02 . 3 . . . . 91 PHE CD2 . 16072 1 1204 . 1 1 91 91 PHE CE1 C 13 130.9 0.02 . 3 . . . . 91 PHE CE1 . 16072 1 1205 . 1 1 91 91 PHE CE2 C 13 130.9 0.02 . 3 . . . . 91 PHE CE2 . 16072 1 1206 . 1 1 91 91 PHE CZ C 13 117.5 0.2 . 1 . . . . 91 PHE CZ . 16072 1 1207 . 1 1 91 91 PHE N N 15 118.6 0.2 . 1 . . . . 91 PHE N . 16072 1 1208 . 1 1 92 92 LEU H H 1 9.06 0.02 . 1 . . . . 92 LEU H . 16072 1 1209 . 1 1 92 92 LEU HA H 1 4.33 0.02 . 1 . . . . 92 LEU HA . 16072 1 1210 . 1 1 92 92 LEU HB2 H 1 1.17 0.02 . 2 . . . . 92 LEU HB2 . 16072 1 1211 . 1 1 92 92 LEU HB3 H 1 1.17 0.02 . 2 . . . . 92 LEU HB3 . 16072 1 1212 . 1 1 92 92 LEU HD11 H 1 0.53 0.02 . 1 . . . . 92 LEU HD1 . 16072 1 1213 . 1 1 92 92 LEU HD12 H 1 0.53 0.02 . 1 . . . . 92 LEU HD1 . 16072 1 1214 . 1 1 92 92 LEU HD13 H 1 0.53 0.02 . 1 . . . . 92 LEU HD1 . 16072 1 1215 . 1 1 92 92 LEU HD21 H 1 0.52 0.02 . 1 . . . . 92 LEU HD2 . 16072 1 1216 . 1 1 92 92 LEU HD22 H 1 0.52 0.02 . 1 . . . . 92 LEU HD2 . 16072 1 1217 . 1 1 92 92 LEU HD23 H 1 0.52 0.02 . 1 . . . . 92 LEU HD2 . 16072 1 1218 . 1 1 92 92 LEU HG H 1 1.48 0.02 . 1 . . . . 92 LEU HG . 16072 1 1219 . 1 1 92 92 LEU C C 13 175.7 0.2 . 1 . . . . 92 LEU C . 16072 1 1220 . 1 1 92 92 LEU CA C 13 55.2 0.2 . 1 . . . . 92 LEU CA . 16072 1 1221 . 1 1 92 92 LEU CB C 13 43.5 0.2 . 1 . . . . 92 LEU CB . 16072 1 1222 . 1 1 92 92 LEU CD1 C 13 25.0 0.02 . 1 . . . . 92 LEU CD1 . 16072 1 1223 . 1 1 92 92 LEU CD2 C 13 24.3 0.02 . 1 . . . . 92 LEU CD2 . 16072 1 1224 . 1 1 92 92 LEU CG C 13 28.1 0.2 . 1 . . . . 92 LEU CG . 16072 1 1225 . 1 1 92 92 LEU N N 15 121.1 0.2 . 1 . . . . 92 LEU N . 16072 1 1226 . 1 1 93 93 TYR H H 1 7.97 0.02 . 1 . . . . 93 TYR H . 16072 1 1227 . 1 1 93 93 TYR HA H 1 4.78 0.02 . 1 . . . . 93 TYR HA . 16072 1 1228 . 1 1 93 93 TYR HB2 H 1 2.30 0.02 . 2 . . . . 93 TYR HB2 . 16072 1 1229 . 1 1 93 93 TYR HB3 H 1 3.08 0.02 . 2 . . . . 93 TYR HB3 . 16072 1 1230 . 1 1 93 93 TYR HD1 H 1 6.80 0.02 . 3 . . . . 93 TYR HD1 . 16072 1 1231 . 1 1 93 93 TYR HD2 H 1 6.80 0.02 . 3 . . . . 93 TYR HD2 . 16072 1 1232 . 1 1 93 93 TYR HE1 H 1 6.70 0.02 . 3 . . . . 93 TYR HE1 . 16072 1 1233 . 1 1 93 93 TYR HE2 H 1 6.70 0.02 . 3 . . . . 93 TYR HE2 . 16072 1 1234 . 1 1 93 93 TYR C C 13 172.8 0.2 . 1 . . . . 93 TYR C . 16072 1 1235 . 1 1 93 93 TYR CA C 13 57.6 0.2 . 1 . . . . 93 TYR CA . 16072 1 1236 . 1 1 93 93 TYR CB C 13 42.5 0.2 . 1 . . . . 93 TYR CB . 16072 1 1237 . 1 1 93 93 TYR CD1 C 13 131.6 0.02 . 3 . . . . 93 TYR CD1 . 16072 1 1238 . 1 1 93 93 TYR CD2 C 13 131.6 0.02 . 3 . . . . 93 TYR CD2 . 16072 1 1239 . 1 1 93 93 TYR CE1 C 13 117.5 0.02 . 3 . . . . 93 TYR CE1 . 16072 1 1240 . 1 1 93 93 TYR CE2 C 13 117.5 0.02 . 3 . . . . 93 TYR CE2 . 16072 1 1241 . 1 1 93 93 TYR N N 15 118.6 0.2 . 1 . . . . 93 TYR N . 16072 1 1242 . 1 1 94 94 LEU H H 1 8.22 0.02 . 1 . . . . 94 LEU H . 16072 1 1243 . 1 1 94 94 LEU HA H 1 5.06 0.02 . 1 . . . . 94 LEU HA . 16072 1 1244 . 1 1 94 94 LEU HB2 H 1 0.75 0.02 . 2 . . . . 94 LEU HB2 . 16072 1 1245 . 1 1 94 94 LEU HB3 H 1 0.97 0.02 . 2 . . . . 94 LEU HB3 . 16072 1 1246 . 1 1 94 94 LEU HD11 H 1 0.31 0.02 . 1 . . . . 94 LEU HD1 . 16072 1 1247 . 1 1 94 94 LEU HD12 H 1 0.31 0.02 . 1 . . . . 94 LEU HD1 . 16072 1 1248 . 1 1 94 94 LEU HD13 H 1 0.31 0.02 . 1 . . . . 94 LEU HD1 . 16072 1 1249 . 1 1 94 94 LEU HD21 H 1 -0.57 0.02 . 1 . . . . 94 LEU HD2 . 16072 1 1250 . 1 1 94 94 LEU HD22 H 1 -0.57 0.02 . 1 . . . . 94 LEU HD2 . 16072 1 1251 . 1 1 94 94 LEU HD23 H 1 -0.57 0.02 . 1 . . . . 94 LEU HD2 . 16072 1 1252 . 1 1 94 94 LEU HG H 1 0.76 0.02 . 1 . . . . 94 LEU HG . 16072 1 1253 . 1 1 94 94 LEU C C 13 171.9 0.2 . 1 . . . . 94 LEU C . 16072 1 1254 . 1 1 94 94 LEU CA C 13 55.1 0.2 . 1 . . . . 94 LEU CA . 16072 1 1255 . 1 1 94 94 LEU CB C 13 44.8 0.2 . 1 . . . . 94 LEU CB . 16072 1 1256 . 1 1 94 94 LEU CD1 C 13 21.9 0.02 . 1 . . . . 94 LEU CD1 . 16072 1 1257 . 1 1 94 94 LEU CD2 C 13 24.8 0.02 . 1 . . . . 94 LEU CD2 . 16072 1 1258 . 1 1 94 94 LEU CG C 13 27.3 0.2 . 1 . . . . 94 LEU CG . 16072 1 1259 . 1 1 94 94 LEU N N 15 128.6 0.2 . 1 . . . . 94 LEU N . 16072 1 1260 . 1 1 95 95 HIS H H 1 9.72 0.02 . 1 . . . . 95 HIS H . 16072 1 1261 . 1 1 95 95 HIS HA H 1 4.57 0.02 . 1 . . . . 95 HIS HA . 16072 1 1262 . 1 1 95 95 HIS HB2 H 1 2.65 0.02 . 2 . . . . 95 HIS HB2 . 16072 1 1263 . 1 1 95 95 HIS HB3 H 1 3.18 0.02 . 2 . . . . 95 HIS HB3 . 16072 1 1264 . 1 1 95 95 HIS HD2 H 1 7.02 0.02 . 1 . . . . 95 HIS HD2 . 16072 1 1265 . 1 1 95 95 HIS HE1 H 1 6.91 0.02 . 1 . . . . 95 HIS HE1 . 16072 1 1266 . 1 1 95 95 HIS C C 13 173.1 0.2 . 1 . . . . 95 HIS C . 16072 1 1267 . 1 1 95 95 HIS CA C 13 55.5 0.2 . 1 . . . . 95 HIS CA . 16072 1 1268 . 1 1 95 95 HIS CB C 13 35.9 0.2 . 1 . . . . 95 HIS CB . 16072 1 1269 . 1 1 95 95 HIS CD2 C 13 117.5 0.2 . 1 . . . . 95 HIS CD2 . 16072 1 1270 . 1 1 95 95 HIS CE1 C 13 137.4 0.2 . 1 . . . . 95 HIS CE1 . 16072 1 1271 . 1 1 95 95 HIS N N 15 133.0 0.2 . 1 . . . . 95 HIS N . 16072 1 1272 . 1 1 96 96 ASN H H 1 7.67 0.02 . 1 . . . . 96 ASN H . 16072 1 1273 . 1 1 96 96 ASN HA H 1 4.93 0.02 . 1 . . . . 96 ASN HA . 16072 1 1274 . 1 1 96 96 ASN HB2 H 1 2.40 0.02 . 2 . . . . 96 ASN HB2 . 16072 1 1275 . 1 1 96 96 ASN HB3 H 1 3.38 0.02 . 2 . . . . 96 ASN HB3 . 16072 1 1276 . 1 1 96 96 ASN HD21 H 1 7.83 0.02 . 2 . . . . 96 ASN HD21 . 16072 1 1277 . 1 1 96 96 ASN HD22 H 1 7.24 0.02 . 2 . . . . 96 ASN HD22 . 16072 1 1278 . 1 1 96 96 ASN C C 13 176.1 0.2 . 1 . . . . 96 ASN C . 16072 1 1279 . 1 1 96 96 ASN CA C 13 51.0 0.2 . 1 . . . . 96 ASN CA . 16072 1 1280 . 1 1 96 96 ASN CB C 13 38.5 0.2 . 1 . . . . 96 ASN CB . 16072 1 1281 . 1 1 96 96 ASN N N 15 118.6 0.2 . 1 . . . . 96 ASN N . 16072 1 1282 . 1 1 96 96 ASN ND2 N 15 109.6 0.2 . 1 . . . . 96 ASN ND2 . 16072 1 1283 . 1 1 97 97 THR H H 1 10.58 0.02 . 1 . . . . 97 THR H . 16072 1 1284 . 1 1 97 97 THR HA H 1 4.09 0.02 . 1 . . . . 97 THR HA . 16072 1 1285 . 1 1 97 97 THR HB H 1 4.42 0.02 . 1 . . . . 97 THR HB . 16072 1 1286 . 1 1 97 97 THR HG21 H 1 0.90 0.02 . 1 . . . . 97 THR HG2 . 16072 1 1287 . 1 1 97 97 THR HG22 H 1 0.90 0.02 . 1 . . . . 97 THR HG2 . 16072 1 1288 . 1 1 97 97 THR HG23 H 1 0.90 0.02 . 1 . . . . 97 THR HG2 . 16072 1 1289 . 1 1 97 97 THR C C 13 174.6 0.2 . 1 . . . . 97 THR C . 16072 1 1290 . 1 1 97 97 THR CA C 13 67.0 0.2 . 1 . . . . 97 THR CA . 16072 1 1291 . 1 1 97 97 THR CB C 13 68.3 0.2 . 1 . . . . 97 THR CB . 16072 1 1292 . 1 1 97 97 THR CG2 C 13 22.8 0.2 . 1 . . . . 97 THR CG2 . 16072 1 1293 . 1 1 97 97 THR N N 15 116.3 0.2 . 1 . . . . 97 THR N . 16072 1 1294 . 1 1 98 98 VAL H H 1 8.44 0.02 . 1 . . . . 98 VAL H . 16072 1 1295 . 1 1 98 98 VAL HA H 1 4.18 0.02 . 1 . . . . 98 VAL HA . 16072 1 1296 . 1 1 98 98 VAL HB H 1 2.10 0.02 . 1 . . . . 98 VAL HB . 16072 1 1297 . 1 1 98 98 VAL HG11 H 1 0.91 0.02 . 1 . . . . 98 VAL HG1 . 16072 1 1298 . 1 1 98 98 VAL HG12 H 1 0.91 0.02 . 1 . . . . 98 VAL HG1 . 16072 1 1299 . 1 1 98 98 VAL HG13 H 1 0.91 0.02 . 1 . . . . 98 VAL HG1 . 16072 1 1300 . 1 1 98 98 VAL HG21 H 1 0.84 0.02 . 1 . . . . 98 VAL HG2 . 16072 1 1301 . 1 1 98 98 VAL HG22 H 1 0.84 0.02 . 1 . . . . 98 VAL HG2 . 16072 1 1302 . 1 1 98 98 VAL HG23 H 1 0.84 0.02 . 1 . . . . 98 VAL HG2 . 16072 1 1303 . 1 1 98 98 VAL C C 13 174.8 0.2 . 1 . . . . 98 VAL C . 16072 1 1304 . 1 1 98 98 VAL CA C 13 64.4 0.2 . 1 . . . . 98 VAL CA . 16072 1 1305 . 1 1 98 98 VAL CB C 13 33.1 0.2 . 1 . . . . 98 VAL CB . 16072 1 1306 . 1 1 98 98 VAL CG1 C 13 21.0 0.02 . 1 . . . . 98 VAL CG1 . 16072 1 1307 . 1 1 98 98 VAL CG2 C 13 21.8 0.02 . 1 . . . . 98 VAL CG2 . 16072 1 1308 . 1 1 98 98 VAL N N 15 123.9 0.2 . 1 . . . . 98 VAL N . 16072 1 1309 . 1 1 99 99 MET H H 1 8.59 0.02 . 1 . . . . 99 MET H . 16072 1 1310 . 1 1 99 99 MET HA H 1 4.72 0.02 . 1 . . . . 99 MET HA . 16072 1 1311 . 1 1 99 99 MET HB2 H 1 1.85 0.02 . 2 . . . . 99 MET HB2 . 16072 1 1312 . 1 1 99 99 MET HB3 H 1 1.85 0.02 . 2 . . . . 99 MET HB3 . 16072 1 1313 . 1 1 99 99 MET HE1 H 1 2.01 0.02 . 1 . . . . 99 MET HE . 16072 1 1314 . 1 1 99 99 MET HE2 H 1 2.01 0.02 . 1 . . . . 99 MET HE . 16072 1 1315 . 1 1 99 99 MET HE3 H 1 2.01 0.02 . 1 . . . . 99 MET HE . 16072 1 1316 . 1 1 99 99 MET HG2 H 1 2.12 0.02 . 2 . . . . 99 MET HG2 . 16072 1 1317 . 1 1 99 99 MET HG3 H 1 2.30 0.02 . 2 . . . . 99 MET HG3 . 16072 1 1318 . 1 1 99 99 MET CA C 13 52.4 0.2 . 1 . . . . 99 MET CA . 16072 1 1319 . 1 1 99 99 MET CB C 13 34.1 0.2 . 1 . . . . 99 MET CB . 16072 1 1320 . 1 1 99 99 MET CE C 13 16.9 0.2 . 1 . . . . 99 MET CE . 16072 1 1321 . 1 1 99 99 MET CG C 13 30.0 0.2 . 1 . . . . 99 MET CG . 16072 1 1322 . 1 1 99 99 MET N N 15 118.7 0.2 . 1 . . . . 99 MET N . 16072 1 1323 . 1 1 100 100 PRO HA H 1 4.21 0.02 . 1 . . . . 100 PRO HA . 16072 1 1324 . 1 1 100 100 PRO HB2 H 1 1.86 0.02 . 2 . . . . 100 PRO HB2 . 16072 1 1325 . 1 1 100 100 PRO HB3 H 1 2.19 0.02 . 2 . . . . 100 PRO HB3 . 16072 1 1326 . 1 1 100 100 PRO HD2 H 1 3.61 0.02 . 2 . . . . 100 PRO HD2 . 16072 1 1327 . 1 1 100 100 PRO HD3 H 1 3.70 0.02 . 2 . . . . 100 PRO HD3 . 16072 1 1328 . 1 1 100 100 PRO HG2 H 1 2.19 0.02 . 2 . . . . 100 PRO HG2 . 16072 1 1329 . 1 1 100 100 PRO HG3 H 1 2.25 0.02 . 2 . . . . 100 PRO HG3 . 16072 1 1330 . 1 1 100 100 PRO C C 13 175.9 0.2 . 1 . . . . 100 PRO C . 16072 1 1331 . 1 1 100 100 PRO CA C 13 62.1 0.2 . 1 . . . . 100 PRO CA . 16072 1 1332 . 1 1 100 100 PRO CB C 13 31.0 0.2 . 1 . . . . 100 PRO CB . 16072 1 1333 . 1 1 100 100 PRO CD C 13 50.1 0.2 . 1 . . . . 100 PRO CD . 16072 1 1334 . 1 1 100 100 PRO CG C 13 27.4 0.2 . 1 . . . . 100 PRO CG . 16072 1 1335 . 1 1 101 101 LEU H H 1 9.01 0.02 . 1 . . . . 101 LEU H . 16072 1 1336 . 1 1 101 101 LEU HA H 1 4.31 0.02 . 1 . . . . 101 LEU HA . 16072 1 1337 . 1 1 101 101 LEU HB2 H 1 1.07 0.02 . 2 . . . . 101 LEU HB2 . 16072 1 1338 . 1 1 101 101 LEU HB3 H 1 1.24 0.02 . 2 . . . . 101 LEU HB3 . 16072 1 1339 . 1 1 101 101 LEU HD11 H 1 0.78 0.02 . 1 . . . . 101 LEU HD1 . 16072 1 1340 . 1 1 101 101 LEU HD12 H 1 0.78 0.02 . 1 . . . . 101 LEU HD1 . 16072 1 1341 . 1 1 101 101 LEU HD13 H 1 0.78 0.02 . 1 . . . . 101 LEU HD1 . 16072 1 1342 . 1 1 101 101 LEU HD21 H 1 0.72 0.02 . 1 . . . . 101 LEU HD2 . 16072 1 1343 . 1 1 101 101 LEU HD22 H 1 0.72 0.02 . 1 . . . . 101 LEU HD2 . 16072 1 1344 . 1 1 101 101 LEU HD23 H 1 0.72 0.02 . 1 . . . . 101 LEU HD2 . 16072 1 1345 . 1 1 101 101 LEU HG H 1 1.37 0.02 . 1 . . . . 101 LEU HG . 16072 1 1346 . 1 1 101 101 LEU C C 13 176.9 0.2 . 1 . . . . 101 LEU C . 16072 1 1347 . 1 1 101 101 LEU CA C 13 55.0 0.2 . 1 . . . . 101 LEU CA . 16072 1 1348 . 1 1 101 101 LEU CB C 13 42.8 0.2 . 1 . . . . 101 LEU CB . 16072 1 1349 . 1 1 101 101 LEU CD1 C 13 25.0 0.02 . 1 . . . . 101 LEU CD1 . 16072 1 1350 . 1 1 101 101 LEU CD2 C 13 22.5 0.02 . 1 . . . . 101 LEU CD2 . 16072 1 1351 . 1 1 101 101 LEU CG C 13 27.0 0.2 . 1 . . . . 101 LEU CG . 16072 1 1352 . 1 1 101 101 LEU N N 15 124.0 0.2 . 1 . . . . 101 LEU N . 16072 1 1353 . 1 1 102 102 LEU H H 1 7.62 0.02 . 1 . . . . 102 LEU H . 16072 1 1354 . 1 1 102 102 LEU HA H 1 4.36 0.02 . 1 . . . . 102 LEU HA . 16072 1 1355 . 1 1 102 102 LEU HB2 H 1 1.28 0.02 . 2 . . . . 102 LEU HB2 . 16072 1 1356 . 1 1 102 102 LEU HB3 H 1 1.35 0.02 . 2 . . . . 102 LEU HB3 . 16072 1 1357 . 1 1 102 102 LEU HD11 H 1 0.69 0.02 . 1 . . . . 102 LEU HD1 . 16072 1 1358 . 1 1 102 102 LEU HD12 H 1 0.69 0.02 . 1 . . . . 102 LEU HD1 . 16072 1 1359 . 1 1 102 102 LEU HD13 H 1 0.69 0.02 . 1 . . . . 102 LEU HD1 . 16072 1 1360 . 1 1 102 102 LEU HD21 H 1 0.76 0.02 . 1 . . . . 102 LEU HD2 . 16072 1 1361 . 1 1 102 102 LEU HD22 H 1 0.76 0.02 . 1 . . . . 102 LEU HD2 . 16072 1 1362 . 1 1 102 102 LEU HD23 H 1 0.76 0.02 . 1 . . . . 102 LEU HD2 . 16072 1 1363 . 1 1 102 102 LEU HG H 1 1.30 0.02 . 1 . . . . 102 LEU HG . 16072 1 1364 . 1 1 102 102 LEU C C 13 174.8 0.2 . 1 . . . . 102 LEU C . 16072 1 1365 . 1 1 102 102 LEU CA C 13 54.9 0.2 . 1 . . . . 102 LEU CA . 16072 1 1366 . 1 1 102 102 LEU CB C 13 45.3 0.2 . 1 . . . . 102 LEU CB . 16072 1 1367 . 1 1 102 102 LEU CD1 C 13 25.6 0.02 . 1 . . . . 102 LEU CD1 . 16072 1 1368 . 1 1 102 102 LEU CD2 C 13 24.6 0.02 . 1 . . . . 102 LEU CD2 . 16072 1 1369 . 1 1 102 102 LEU CG C 13 26.7 0.2 . 1 . . . . 102 LEU CG . 16072 1 1370 . 1 1 102 102 LEU N N 15 119.0 0.2 . 1 . . . . 102 LEU N . 16072 1 1371 . 1 1 103 103 ASP H H 1 9.12 0.02 . 1 . . . . 103 ASP H . 16072 1 1372 . 1 1 103 103 ASP HA H 1 5.10 0.02 . 1 . . . . 103 ASP HA . 16072 1 1373 . 1 1 103 103 ASP HB2 H 1 2.70 0.02 . 2 . . . . 103 ASP HB2 . 16072 1 1374 . 1 1 103 103 ASP HB3 H 1 3.10 0.02 . 2 . . . . 103 ASP HB3 . 16072 1 1375 . 1 1 103 103 ASP C C 13 174.5 0.2 . 1 . . . . 103 ASP C . 16072 1 1376 . 1 1 103 103 ASP CA C 13 54.9 0.2 . 1 . . . . 103 ASP CA . 16072 1 1377 . 1 1 103 103 ASP CB C 13 41.0 0.2 . 1 . . . . 103 ASP CB . 16072 1 1378 . 1 1 103 103 ASP N N 15 120.7 0.2 . 1 . . . . 103 ASP N . 16072 1 1379 . 1 1 104 104 GLN H H 1 8.99 0.02 . 1 . . . . 104 GLN H . 16072 1 1380 . 1 1 104 104 GLN HA H 1 4.71 0.02 . 1 . . . . 104 GLN HA . 16072 1 1381 . 1 1 104 104 GLN HB2 H 1 1.79 0.02 . 2 . . . . 104 GLN HB2 . 16072 1 1382 . 1 1 104 104 GLN HB3 H 1 2.18 0.02 . 2 . . . . 104 GLN HB3 . 16072 1 1383 . 1 1 104 104 GLN HE21 H 1 7.24 0.02 . 1 . . . . 104 GLN HE21 . 16072 1 1384 . 1 1 104 104 GLN HE22 H 1 7.01 0.02 . 1 . . . . 104 GLN HE22 . 16072 1 1385 . 1 1 104 104 GLN HG2 H 1 2.29 0.02 . 2 . . . . 104 GLN HG2 . 16072 1 1386 . 1 1 104 104 GLN HG3 H 1 2.29 0.02 . 2 . . . . 104 GLN HG3 . 16072 1 1387 . 1 1 104 104 GLN C C 13 176.1 0.2 . 1 . . . . 104 GLN C . 16072 1 1388 . 1 1 104 104 GLN CA C 13 54.1 0.2 . 1 . . . . 104 GLN CA . 16072 1 1389 . 1 1 104 104 GLN CB C 13 28.5 0.2 . 1 . . . . 104 GLN CB . 16072 1 1390 . 1 1 104 104 GLN CD C 13 180.0 0.2 . 1 . . . . 104 GLN CD . 16072 1 1391 . 1 1 104 104 GLN CG C 13 34.1 0.2 . 1 . . . . 104 GLN CG . 16072 1 1392 . 1 1 104 104 GLN N N 15 125.4 0.2 . 1 . . . . 104 GLN N . 16072 1 1393 . 1 1 104 104 GLN NE2 N 15 110.3 0.2 . 1 . . . . 104 GLN NE2 . 16072 1 1394 . 1 1 105 105 ARG H H 1 8.38 0.02 . 1 . . . . 105 ARG H . 16072 1 1395 . 1 1 105 105 ARG HA H 1 3.51 0.02 . 1 . . . . 105 ARG HA . 16072 1 1396 . 1 1 105 105 ARG HB2 H 1 1.81 0.02 . 2 . . . . 105 ARG HB2 . 16072 1 1397 . 1 1 105 105 ARG HB3 H 1 2.03 0.02 . 2 . . . . 105 ARG HB3 . 16072 1 1398 . 1 1 105 105 ARG HD2 H 1 2.18 0.02 . 2 . . . . 105 ARG HD2 . 16072 1 1399 . 1 1 105 105 ARG HD3 H 1 2.86 0.02 . 2 . . . . 105 ARG HD3 . 16072 1 1400 . 1 1 105 105 ARG HG2 H 1 1.96 0.02 . 2 . . . . 105 ARG HG2 . 16072 1 1401 . 1 1 105 105 ARG HG3 H 1 1.96 0.02 . 2 . . . . 105 ARG HG3 . 16072 1 1402 . 1 1 105 105 ARG C C 13 177.5 0.2 . 1 . . . . 105 ARG C . 16072 1 1403 . 1 1 105 105 ARG CA C 13 60.2 0.2 . 1 . . . . 105 ARG CA . 16072 1 1404 . 1 1 105 105 ARG CB C 13 29.4 0.2 . 1 . . . . 105 ARG CB . 16072 1 1405 . 1 1 105 105 ARG CD C 13 42.6 0.2 . 1 . . . . 105 ARG CD . 16072 1 1406 . 1 1 105 105 ARG CG C 13 28.2 0.2 . 1 . . . . 105 ARG CG . 16072 1 1407 . 1 1 105 105 ARG N N 15 117.7 0.2 . 1 . . . . 105 ARG N . 16072 1 1408 . 1 1 106 106 TYR H H 1 7.80 0.02 . 1 . . . . 106 TYR H . 16072 1 1409 . 1 1 106 106 TYR HA H 1 4.36 0.02 . 1 . . . . 106 TYR HA . 16072 1 1410 . 1 1 106 106 TYR HB2 H 1 2.91 0.02 . 2 . . . . 106 TYR HB2 . 16072 1 1411 . 1 1 106 106 TYR HB3 H 1 3.10 0.02 . 2 . . . . 106 TYR HB3 . 16072 1 1412 . 1 1 106 106 TYR HD1 H 1 7.03 0.02 . 3 . . . . 106 TYR HD1 . 16072 1 1413 . 1 1 106 106 TYR HD2 H 1 7.03 0.02 . 3 . . . . 106 TYR HD2 . 16072 1 1414 . 1 1 106 106 TYR HE1 H 1 6.92 0.02 . 3 . . . . 106 TYR HE1 . 16072 1 1415 . 1 1 106 106 TYR HE2 H 1 6.92 0.02 . 3 . . . . 106 TYR HE2 . 16072 1 1416 . 1 1 106 106 TYR C C 13 176.8 0.2 . 1 . . . . 106 TYR C . 16072 1 1417 . 1 1 106 106 TYR CA C 13 58.6 0.2 . 1 . . . . 106 TYR CA . 16072 1 1418 . 1 1 106 106 TYR CB C 13 36.0 0.2 . 1 . . . . 106 TYR CB . 16072 1 1419 . 1 1 106 106 TYR CD1 C 13 133.1 0.02 . 3 . . . . 106 TYR CD1 . 16072 1 1420 . 1 1 106 106 TYR CD2 C 13 133.1 0.02 . 3 . . . . 106 TYR CD2 . 16072 1 1421 . 1 1 106 106 TYR CE1 C 13 118.5 0.02 . 3 . . . . 106 TYR CE1 . 16072 1 1422 . 1 1 106 106 TYR CE2 C 13 118.5 0.02 . 3 . . . . 106 TYR CE2 . 16072 1 1423 . 1 1 106 106 TYR N N 15 118.1 0.2 . 1 . . . . 106 TYR N . 16072 1 1424 . 1 1 107 107 LEU H H 1 7.17 0.02 . 1 . . . . 107 LEU H . 16072 1 1425 . 1 1 107 107 LEU HA H 1 3.97 0.02 . 1 . . . . 107 LEU HA . 16072 1 1426 . 1 1 107 107 LEU HB2 H 1 1.26 0.02 . 2 . . . . 107 LEU HB2 . 16072 1 1427 . 1 1 107 107 LEU HB3 H 1 1.35 0.02 . 2 . . . . 107 LEU HB3 . 16072 1 1428 . 1 1 107 107 LEU HD11 H 1 0.82 0.02 . 1 . . . . 107 LEU HD1 . 16072 1 1429 . 1 1 107 107 LEU HD12 H 1 0.82 0.02 . 1 . . . . 107 LEU HD1 . 16072 1 1430 . 1 1 107 107 LEU HD13 H 1 0.82 0.02 . 1 . . . . 107 LEU HD1 . 16072 1 1431 . 1 1 107 107 LEU HD21 H 1 0.89 0.02 . 1 . . . . 107 LEU HD2 . 16072 1 1432 . 1 1 107 107 LEU HD22 H 1 0.89 0.02 . 1 . . . . 107 LEU HD2 . 16072 1 1433 . 1 1 107 107 LEU HD23 H 1 0.89 0.02 . 1 . . . . 107 LEU HD2 . 16072 1 1434 . 1 1 107 107 LEU HG H 1 0.96 0.02 . 1 . . . . 107 LEU HG . 16072 1 1435 . 1 1 107 107 LEU C C 13 178.3 0.2 . 1 . . . . 107 LEU C . 16072 1 1436 . 1 1 107 107 LEU CA C 13 56.6 0.2 . 1 . . . . 107 LEU CA . 16072 1 1437 . 1 1 107 107 LEU CB C 13 41.8 0.2 . 1 . . . . 107 LEU CB . 16072 1 1438 . 1 1 107 107 LEU CD1 C 13 25.2 0.02 . 1 . . . . 107 LEU CD1 . 16072 1 1439 . 1 1 107 107 LEU CD2 C 13 22.5 0.02 . 1 . . . . 107 LEU CD2 . 16072 1 1440 . 1 1 107 107 LEU CG C 13 26.5 0.2 . 1 . . . . 107 LEU CG . 16072 1 1441 . 1 1 107 107 LEU N N 15 121.9 0.2 . 1 . . . . 107 LEU N . 16072 1 1442 . 1 1 108 108 LEU H H 1 7.68 0.02 . 1 . . . . 108 LEU H . 16072 1 1443 . 1 1 108 108 LEU HA H 1 4.07 0.02 . 1 . . . . 108 LEU HA . 16072 1 1444 . 1 1 108 108 LEU HB2 H 1 1.44 0.02 . 2 . . . . 108 LEU HB2 . 16072 1 1445 . 1 1 108 108 LEU HB3 H 1 1.95 0.02 . 2 . . . . 108 LEU HB3 . 16072 1 1446 . 1 1 108 108 LEU HD11 H 1 0.70 0.02 . 1 . . . . 108 LEU HD1 . 16072 1 1447 . 1 1 108 108 LEU HD12 H 1 0.70 0.02 . 1 . . . . 108 LEU HD1 . 16072 1 1448 . 1 1 108 108 LEU HD13 H 1 0.70 0.02 . 1 . . . . 108 LEU HD1 . 16072 1 1449 . 1 1 108 108 LEU HD21 H 1 0.48 0.02 . 1 . . . . 108 LEU HD2 . 16072 1 1450 . 1 1 108 108 LEU HD22 H 1 0.48 0.02 . 1 . . . . 108 LEU HD2 . 16072 1 1451 . 1 1 108 108 LEU HD23 H 1 0.48 0.02 . 1 . . . . 108 LEU HD2 . 16072 1 1452 . 1 1 108 108 LEU HG H 1 1.31 0.02 . 1 . . . . 108 LEU HG . 16072 1 1453 . 1 1 108 108 LEU C C 13 177.5 0.2 . 1 . . . . 108 LEU C . 16072 1 1454 . 1 1 108 108 LEU CA C 13 55.4 0.2 . 1 . . . . 108 LEU CA . 16072 1 1455 . 1 1 108 108 LEU CB C 13 41.5 0.2 . 1 . . . . 108 LEU CB . 16072 1 1456 . 1 1 108 108 LEU CD1 C 13 25.2 0.02 . 1 . . . . 108 LEU CD1 . 16072 1 1457 . 1 1 108 108 LEU CD2 C 13 22.8 0.02 . 1 . . . . 108 LEU CD2 . 16072 1 1458 . 1 1 108 108 LEU CG C 13 26.91 0.2 . 1 . . . . 108 LEU CG . 16072 1 1459 . 1 1 108 108 LEU N N 15 115.4 0.2 . 1 . . . . 108 LEU N . 16072 1 1460 . 1 1 109 109 THR H H 1 7.51 0.02 . 1 . . . . 109 THR H . 16072 1 1461 . 1 1 109 109 THR HA H 1 4.31 0.02 . 1 . . . . 109 THR HA . 16072 1 1462 . 1 1 109 109 THR HB H 1 4.33 0.02 . 1 . . . . 109 THR HB . 16072 1 1463 . 1 1 109 109 THR HG21 H 1 1.09 0.02 . 1 . . . . 109 THR HG2 . 16072 1 1464 . 1 1 109 109 THR HG22 H 1 1.09 0.02 . 1 . . . . 109 THR HG2 . 16072 1 1465 . 1 1 109 109 THR HG23 H 1 1.09 0.02 . 1 . . . . 109 THR HG2 . 16072 1 1466 . 1 1 109 109 THR C C 13 175.3 0.2 . 1 . . . . 109 THR C . 16072 1 1467 . 1 1 109 109 THR CA C 13 61.6 0.2 . 1 . . . . 109 THR CA . 16072 1 1468 . 1 1 109 109 THR CB C 13 69.5 0.2 . 1 . . . . 109 THR CB . 16072 1 1469 . 1 1 109 109 THR CG2 C 13 21.4 0.2 . 1 . . . . 109 THR CG2 . 16072 1 1470 . 1 1 109 109 THR N N 15 108.8 0.2 . 1 . . . . 109 THR N . 16072 1 1471 . 1 1 110 110 GLY H H 1 8.01 0.02 . 1 . . . . 110 GLY H . 16072 1 1472 . 1 1 110 110 GLY HA2 H 1 3.95 0.02 . 2 . . . . 110 GLY HA2 . 16072 1 1473 . 1 1 110 110 GLY HA3 H 1 4.03 0.02 . 2 . . . . 110 GLY HA3 . 16072 1 1474 . 1 1 110 110 GLY C C 13 174.5 0.2 . 1 . . . . 110 GLY C . 16072 1 1475 . 1 1 110 110 GLY CA C 13 45.4 0.2 . 1 . . . . 110 GLY CA . 16072 1 1476 . 1 1 110 110 GLY N N 15 110.1 0.2 . 1 . . . . 110 GLY N . 16072 1 1477 . 1 1 111 111 GLY H H 1 8.31 0.02 . 1 . . . . 111 GLY H . 16072 1 1478 . 1 1 111 111 GLY HA2 H 1 3.93 0.02 . 2 . . . . 111 GLY HA2 . 16072 1 1479 . 1 1 111 111 GLY HA3 H 1 3.93 0.02 . 2 . . . . 111 GLY HA3 . 16072 1 1480 . 1 1 111 111 GLY C C 13 173.7 0.2 . 1 . . . . 111 GLY C . 16072 1 1481 . 1 1 111 111 GLY CA C 13 45.4 0.2 . 1 . . . . 111 GLY CA . 16072 1 1482 . 1 1 111 111 GLY N N 15 108.3 0.2 . 1 . . . . 111 GLY N . 16072 1 1483 . 1 1 112 112 GLN H H 1 8.28 0.02 . 1 . . . . 112 GLN H . 16072 1 1484 . 1 1 112 112 GLN HA H 1 4.27 0.02 . 1 . . . . 112 GLN HA . 16072 1 1485 . 1 1 112 112 GLN HB2 H 1 1.91 0.02 . 2 . . . . 112 GLN HB2 . 16072 1 1486 . 1 1 112 112 GLN HB3 H 1 2.04 0.02 . 2 . . . . 112 GLN HB3 . 16072 1 1487 . 1 1 112 112 GLN HE21 H 1 6.80 0.02 . 1 . . . . 112 GLN HE21 . 16072 1 1488 . 1 1 112 112 GLN HE22 H 1 7.50 0.02 . 1 . . . . 112 GLN HE22 . 16072 1 1489 . 1 1 112 112 GLN HG2 H 1 2.28 0.02 . 2 . . . . 112 GLN HG2 . 16072 1 1490 . 1 1 112 112 GLN HG3 H 1 2.28 0.02 . 2 . . . . 112 GLN HG3 . 16072 1 1491 . 1 1 112 112 GLN C C 13 175.7 0.2 . 1 . . . . 112 GLN C . 16072 1 1492 . 1 1 112 112 GLN CA C 13 55.6 0.2 . 1 . . . . 112 GLN CA . 16072 1 1493 . 1 1 112 112 GLN CB C 13 29.2 0.2 . 1 . . . . 112 GLN CB . 16072 1 1494 . 1 1 112 112 GLN CD C 13 180.1 0.2 . 1 . . . . 112 GLN CD . 16072 1 1495 . 1 1 112 112 GLN CG C 13 33.5 0.2 . 1 . . . . 112 GLN CG . 16072 1 1496 . 1 1 112 112 GLN N N 15 119.2 0.2 . 1 . . . . 112 GLN N . 16072 1 1497 . 1 1 112 112 GLN NE2 N 15 112.4 0.2 . 1 . . . . 112 GLN NE2 . 16072 1 1498 . 1 1 113 113 LEU H H 1 8.26 0.02 . 1 . . . . 113 LEU H . 16072 1 1499 . 1 1 113 113 LEU HA H 1 4.18 0.02 . 1 . . . . 113 LEU HA . 16072 1 1500 . 1 1 113 113 LEU HB2 H 1 1.43 0.02 . 2 . . . . 113 LEU HB2 . 16072 1 1501 . 1 1 113 113 LEU HB3 H 1 1.51 0.02 . 2 . . . . 113 LEU HB3 . 16072 1 1502 . 1 1 113 113 LEU HD11 H 1 0.82 0.02 . 1 . . . . 113 LEU HD1 . 16072 1 1503 . 1 1 113 113 LEU HD12 H 1 0.82 0.02 . 1 . . . . 113 LEU HD1 . 16072 1 1504 . 1 1 113 113 LEU HD13 H 1 0.82 0.02 . 1 . . . . 113 LEU HD1 . 16072 1 1505 . 1 1 113 113 LEU HD21 H 1 0.76 0.02 . 1 . . . . 113 LEU HD2 . 16072 1 1506 . 1 1 113 113 LEU HD22 H 1 0.76 0.02 . 1 . . . . 113 LEU HD2 . 16072 1 1507 . 1 1 113 113 LEU HD23 H 1 0.76 0.02 . 1 . . . . 113 LEU HD2 . 16072 1 1508 . 1 1 113 113 LEU HG H 1 1.50 0.02 . 1 . . . . 113 LEU HG . 16072 1 1509 . 1 1 113 113 LEU C C 13 177.0 0.2 . 1 . . . . 113 LEU C . 16072 1 1510 . 1 1 113 113 LEU CA C 13 55.1 0.2 . 1 . . . . 113 LEU CA . 16072 1 1511 . 1 1 113 113 LEU CB C 13 42.1 0.2 . 1 . . . . 113 LEU CB . 16072 1 1512 . 1 1 113 113 LEU CD1 C 13 24.8 0.02 . 1 . . . . 113 LEU CD1 . 16072 1 1513 . 1 1 113 113 LEU CD2 C 13 23.3 0.02 . 1 . . . . 113 LEU CD2 . 16072 1 1514 . 1 1 113 113 LEU CG C 13 26.8 0.2 . 1 . . . . 113 LEU CG . 16072 1 1515 . 1 1 113 113 LEU N N 15 122.8 0.2 . 1 . . . . 113 LEU N . 16072 1 1516 . 1 1 114 114 GLU H H 1 8.29 0.02 . 1 . . . . 114 GLU H . 16072 1 1517 . 1 1 114 114 GLU HA H 1 4.14 0.02 . 1 . . . . 114 GLU HA . 16072 1 1518 . 1 1 114 114 GLU HB2 H 1 1.79 0.02 . 2 . . . . 114 GLU HB2 . 16072 1 1519 . 1 1 114 114 GLU HB3 H 1 1.85 0.02 . 2 . . . . 114 GLU HB3 . 16072 1 1520 . 1 1 114 114 GLU HG2 H 1 2.08 0.02 . 2 . . . . 114 GLU HG2 . 16072 1 1521 . 1 1 114 114 GLU HG3 H 1 2.14 0.02 . 2 . . . . 114 GLU HG3 . 16072 1 1522 . 1 1 114 114 GLU CA C 13 56.3 0.2 . 1 . . . . 114 GLU CA . 16072 1 1523 . 1 1 114 114 GLU CB C 13 30.2 0.2 . 1 . . . . 114 GLU CB . 16072 1 1524 . 1 1 114 114 GLU CG C 13 36.0 0.2 . 1 . . . . 114 GLU CG . 16072 1 1525 . 1 1 114 114 GLU N N 15 121.0 0.2 . 1 . . . . 114 GLU N . 16072 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy_peak_list _Spectral_peak_list.Entry_ID 16072 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 106.959 4.548 7.897 4470222 106.975 4.834 7.897 2790150 106.975 1.647 7.894 1313078 106.975 3.567 7.901 1819235 106.975 4.065 7.897 4586628 106.983 3.934 7.895 8414625 107.032 8.957 7.894 5312696 107.081 0.848 7.895 2239026 107.092 1.914 7.899 2580432 108.327 4.033 8.311 4521178 108.342 4.808 8.309 25293884 108.348 3.926 8.310 11925384 108.704 4.325 7.499 4212240 108.813 1.106 7.498 3312074 108.825 7.686 7.504 3813396 108.833 8.025 7.484 2163698 108.845 4.061 7.485 2110413 109.598 7.245 7.835 5251508 109.642 7.843 7.231 5954679 109.750 0.745 7.209 2140834 109.879 2.212 7.201 3631281 109.884 6.435 6.425 61247792 109.894 7.210 6.425 39778700 109.903 6.434 7.199 40794272 110.100 7.504 8.012 4236960 110.121 4.323 8.009 4747352 110.129 4.033 8.000 4854980 110.129 8.300 8.007 1325454 110.133 4.807 8.010 12125755 110.171 3.940 8.002 5174978 110.185 2.279 7.236 2178011 110.202 1.108 8.014 1548446 110.222 1.165 7.152 1400792 110.241 1.815 7.156 3089112 110.279 3.986 7.155 11532275 110.289 0.675 7.151 3999488 110.297 4.827 7.150 2496020 110.297 4.087 7.150 5302855 110.297 3.734 7.155 9478393 110.308 8.671 7.156 8237548 110.321 7.010 7.238 37060860 110.327 7.251 6.999 42003416 110.652 4.185 9.508 3659302 110.663 1.429 9.511 4633278 110.664 9.281 9.515 2030808 110.668 7.849 9.512 3326234 110.683 0.654 9.508 2314472 110.684 0.992 9.509 8141485 110.685 2.319 9.511 3555930 110.691 11.024 9.512 1492404 110.699 2.570 9.510 1751238 110.739 3.729 9.502 1125016 111.280 1.830 7.012 1573986 111.330 6.872 7.012 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122.658 1.398 9.108 2733068 122.666 5.161 9.109 11216335 122.666 9.263 9.106 3527691 122.685 0.802 9.111 3572207 122.698 3.282 9.035 1693848 122.723 2.158 9.037 3666916 122.724 8.727 9.033 1400265 122.738 5.393 9.040 7087903 122.741 4.589 9.110 2688416 122.765 1.050 9.039 2887039 122.778 4.604 9.038 3049886 122.783 1.875 9.037 2223988 122.784 2.042 8.263 2018540 122.797 2.278 8.260 1430962 122.797 4.189 8.263 3630267 122.817 4.807 8.264 15662671 122.825 1.502 8.264 13763059 122.829 4.271 8.263 13681376 122.906 1.913 8.266 2209676 122.948 1.780 8.562 1997711 123.004 1.614 8.569 3526680 123.023 1.954 8.566 7311773 123.047 4.373 8.565 12284369 123.072 0.805 8.559 4906059 123.074 1.202 8.565 5115188 123.114 4.139 8.565 2729143 123.149 4.814 8.538 2694120 123.156 1.063 8.546 3300662 123.158 4.669 8.542 3648349 123.158 0.702 10.985 315735 123.158 3.003 11.014 1547906 123.164 5.729 8.541 9349831 123.175 4.085 10.995 7198907 123.205 9.123 8.537 1864223 123.296 6.744 8.484 1572961 123.338 1.958 8.492 3844245 123.365 5.340 8.491 3766010 123.406 2.913 8.485 2101714 123.492 0.935 8.491 2196196 123.531 4.621 8.756 2427538 123.637 1.614 8.760 2580410 123.637 1.677 8.760 2480408 123.656 4.098 8.757 1269270 123.750 4.312 8.762 2829447 123.814 9.105 8.688 2577282 123.828 7.700 8.429 2237561 123.832 4.432 8.687 12872670 123.833 1.875 8.688 1195913 123.833 4.236 8.686 4432242 123.841 2.545 8.689 5484552 123.866 4.811 8.688 5319897 123.867 5.424 8.446 2297274 123.873 4.671 8.435 10737562 123.873 2.756 8.689 7625962 123.874 4.095 8.440 1841183 123.892 1.877 8.435 12611665 123.904 1.052 8.432 2189384 123.908 2.376 8.437 3915792 123.914 0.842 8.434 8223962 123.918 1.274 8.428 1753369 123.918 1.772 8.425 2481140 123.922 2.094 8.431 7226947 123.941 4.229 9.010 3311562 123.947 4.180 8.433 2724995 123.952 1.380 9.005 1779989 123.978 8.610 8.433 9993466 123.985 7.639 9.008 4934724 123.985 6.891 8.431 2340388 124.010 4.299 9.012 2075779 124.036 10.593 8.433 3142182 124.040 4.564 9.004 2722998 124.096 1.072 9.005 1533846 124.434 1.635 9.256 1886364 124.446 4.733 9.258 8850445 124.449 1.004 9.257 7848128 124.473 2.011 9.256 7582648 124.527 4.266 9.259 1830016 124.588 4.799 8.651 2666136 124.629 4.385 8.646 11811576 124.632 3.098 8.652 1451731 124.634 1.678 8.645 6461320 124.663 3.828 8.641 3611681 124.671 8.409 8.648 3486768 124.682 2.339 8.648 1613321 124.755 1.045 9.325 2230428 124.817 1.442 9.322 857466 124.817 0.552 9.317 1296977 124.817 4.839 9.323 6737060 124.843 0.819 9.321 4252586 124.843 0.819 9.321 4252586 124.864 7.961 9.317 2214797 124.866 1.890 9.320 3661632 124.928 8.519 8.900 1407501 124.940 5.736 9.324 1588013 125.057 3.845 8.897 2767502 125.059 4.739 8.897 10131756 125.061 5.750 8.894 1822855 125.097 1.949 8.893 1420384 125.107 3.619 8.896 2672849 125.139 2.122 8.899 2985577 125.193 3.107 8.995 1377361 125.197 3.532 9.000 1266808 125.336 8.385 8.993 2867744 125.337 2.262 8.995 1867922 125.372 5.103 8.995 6201107 125.381 5.128 8.463 4119273 125.403 1.786 8.991 2167762 125.405 7.077 8.464 2532130 125.412 1.058 8.210 2838430 125.421 4.072 8.212 1587230 125.421 5.413 8.209 1228308 125.421 2.278 8.209 1539618 125.421 8.505 8.201 1533530 125.427 4.724 8.209 6119973 125.430 3.393 8.209 2166596 125.455 7.016 8.210 1929011 125.458 0.899 8.209 4426560 125.460 5.749 8.209 2045029 125.500 4.716 8.999 2251908 125.528 9.075 8.213 1952143 125.531 1.209 8.468 2524238 125.973 4.275 7.951 2295883 126.008 1.451 9.309 2918386 126.030 1.688 9.308 3042829 126.050 8.544 9.309 2459324 126.054 1.784 9.312 3205996 126.055 5.112 9.309 8685263 126.060 1.842 8.754 3299458 126.062 9.326 9.310 28436096 126.064 3.530 9.310 10296168 126.084 7.352 9.313 2045498 126.109 -0.752 7.946 1853109 126.114 8.269 7.950 4006091 126.122 3.272 8.751 2952295 126.122 1.698 7.952 2573462 126.122 4.016 7.953 2247005 126.134 9.073 7.954 2688440 126.138 2.862 9.325 1308656 126.142 7.117 7.954 2153629 126.142 0.197 7.948 270065 126.145 5.476 7.951 1862520 126.148 4.805 8.752 4028139 126.148 4.170 8.754 11296852 126.150 4.796 7.951 2461393 126.156 1.127 7.948 3464930 126.180 1.338 7.950 3786368 126.221 3.608 7.951 2416296 126.341 1.483 8.762 1590441 126.840 0.531 8.882 2307088 126.867 5.351 8.872 2121907 126.884 4.572 8.420 2599388 126.900 8.248 8.421 2047907 126.900 1.274 8.425 734008 126.901 2.813 8.546 1845304 126.906 3.967 8.883 3283671 126.911 1.604 8.424 3273930 126.916 1.661 8.428 2788844 126.922 4.437 8.422 6863658 126.960 7.957 8.882 2134484 126.964 4.730 8.547 5645081 126.968 1.784 8.882 3522990 126.975 5.148 8.549 2186662 126.979 8.865 9.269 1851208 126.983 1.974 9.258 1342471 126.983 1.230 9.260 1304416 126.983 5.142 9.264 1562804 126.983 1.384 9.264 1695057 126.987 0.797 9.269 7131101 126.987 0.949 8.547 5037663 127.015 4.234 9.264 4002900 127.015 4.154 9.268 8529452 127.028 1.788 9.269 5940656 127.032 9.262 8.876 1469740 128.461 9.004 8.221 1940155 128.552 5.076 8.216 2710652 128.555 0.760 8.221 4067407 128.558 7.632 8.218 3141052 128.569 4.783 8.219 9248156 128.577 1.304 8.220 2824249 128.611 0.966 8.215 3956771 128.868 0.486 8.863 1583166 128.874 4.805 8.855 3685746 128.874 2.422 8.858 3192169 128.915 2.647 8.857 2214781 128.916 1.835 8.858 11630656 128.922 4.148 8.858 10663616 128.980 1.393 8.858 4601492 128.984 4.472 8.858 10581304 128.993 3.985 8.857 2435693 128.999 2.195 8.854 2520534 129.473 7.011 10.681 1347665 129.524 4.817 10.679 2159771 129.794 7.837 9.257 1552130 129.840 3.719 9.255 3603661 129.849 1.435 9.256 7816682 129.865 4.146 9.256 2399912 129.884 0.996 9.256 5369966 129.887 4.252 9.257 9886517 129.895 1.787 9.256 1918114 129.897 9.526 9.256 2018718 129.901 0.789 9.255 2518030 131.143 1.937 9.215 2935334 131.156 2.124 9.216 4940900 131.165 4.859 9.217 7698396 131.167 2.651 9.223 1579446 131.167 4.733 9.216 1867119 131.167 3.977 9.216 1362881 131.167 5.274 9.216 1302963 131.188 8.513 9.215 2357484 132.972 4.790 9.710 3304932 132.972 5.060 9.715 5821751 132.972 3.179 9.709 1716088 132.972 0.761 9.710 1949966 133.032 0.309 9.718 4220972 133.110 2.669 9.718 2102974 133.199 0.959 9.710 1280302 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 N 1 2500.0 . . . 16072 1 2 H 1 H 2 10627.0 . . . 16072 1 3 H 1 HN 1 12755.1 . . . 16072 1 stop_ save_ save_Cnoesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_peak_list _Spectral_peak_list.Entry_ID 16072 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 9.248 2.504 0.578 7828568 9.259 2.938 0.581 6120118 9.289 1.423 0.579 16436050 9.313 3.529 0.580 20205072 9.320 6.716 0.581 19810614 9.322 7.084 0.581 5674974 9.328 0.579 0.580 400866112 9.341 7.478 0.585 4548728 9.342 2.027 0.579 13921483 9.345 0.921 0.581 31132032 9.360 6.902 0.581 11076248 9.490 9.249 0.743 5874668 9.531 9.730 0.742 4622207 9.535 2.714 0.743 11952144 9.560 2.838 0.742 9754812 9.581 4.805 0.741 23642564 9.604 1.778 0.741 24801376 9.605 1.013 0.742 31057038 9.613 2.191 0.753 3517707 9.616 8.711 0.587 5378312 9.616 0.256 0.577 9490984 11.965 5.158 0.006 9538917 11.965 6.740 -0.009 11546542 11.965 7.092 -0.009 8424116 11.965 8.557 -0.009 6734087 11.994 -0.002 -0.005 732473600 12.002 0.460 -0.005 44531808 12.051 4.603 -0.004 12735603 12.052 1.231 0.816 18812852 12.052 1.627 0.821 22287852 12.052 1.964 0.816 16464395 12.052 4.220 0.821 8394494 12.052 8.630 0.826 6026904 12.052 9.290 0.811 6510746 12.278 0.249 -0.009 18107458 12.278 0.747 0.001 4770950 12.278 0.894 -0.004 4463506 12.278 1.055 0.001 6780464 12.278 3.561 0.001 4966402 12.278 3.722 -0.009 5862656 12.844 6.741 1.028 8558476 12.845 2.122 1.023 6945068 12.845 1.932 1.027 27526476 12.846 3.666 1.027 11410539 12.852 1.598 1.027 13775430 12.856 1.202 0.748 5779194 12.856 0.909 0.753 59758616 12.870 4.826 1.022 9162538 12.884 0.852 1.028 32559596 12.896 1.529 0.745 17122138 12.896 7.048 0.747 7470112 12.901 1.954 0.745 39510872 12.920 2.902 0.742 9505571 12.951 6.761 0.752 5878838 12.951 8.532 0.747 7173046 13.012 4.741 0.741 7864870 13.302 1.084 0.787 24713136 13.302 1.304 0.782 28067864 13.302 1.890 0.782 15222372 13.302 2.125 0.787 8734796 13.302 4.747 0.782 6477723 13.302 8.469 0.797 6463756 14.057 0.923 0.631 27135570 14.057 1.055 0.636 25160976 14.057 1.231 0.636 18422192 14.057 1.524 0.631 9100449 14.057 1.641 0.621 22116908 14.057 1.773 0.626 5967410 14.057 1.934 0.631 6620028 14.057 4.498 0.636 7006376 14.858 8.613 0.788 5192110 15.024 3.060 0.774 6581080 15.054 1.561 0.773 16001710 15.067 4.803 0.775 4728118 15.071 1.756 0.772 22340188 15.078 0.941 0.773 49016276 15.083 2.176 0.773 4319477 15.086 0.497 0.774 30827500 15.100 9.065 0.774 3606937 15.153 2.307 0.771 9526204 15.153 2.890 0.790 4124104 16.625 8.902 1.030 5025524 16.659 1.375 1.023 6841419 16.665 0.747 1.018 59224556 16.671 1.777 1.018 37955552 16.687 7.967 1.021 4655252 16.694 4.811 1.015 9575088 16.704 0.306 1.017 10302932 16.749 2.842 1.017 5438864 16.751 2.737 1.017 5464437 16.763 0.732 2.017 16473584 16.792 0.925 2.019 4556121 16.956 1.722 0.899 5780955 16.960 0.029 0.250 11457782 16.960 0.440 0.245 12191338 16.960 0.586 0.255 5594103 16.960 0.952 0.245 8061830 16.960 1.070 0.255 9751112 16.960 2.916 0.250 2873293 16.960 3.561 0.255 4070832 16.960 4.616 0.255 5681616 16.960 6.770 0.250 6551428 16.960 8.557 0.250 3654773 16.960 5.099 0.260 3090868 16.966 6.717 0.900 13721533 16.979 0.196 0.901 14675042 16.983 7.124 0.900 15024912 16.988 3.535 0.900 14629228 16.988 0.576 0.901 23327978 16.998 2.460 0.899 16432999 17.022 1.421 0.900 16444090 17.055 8.702 0.903 6117878 17.195 0.733 1.525 57463784 17.195 0.865 1.520 26638164 17.195 1.216 1.525 21751852 17.195 1.876 1.529 26666712 17.195 3.575 1.539 8297432 17.195 4.498 1.529 5797587 17.195 4.806 1.529 7629265 17.195 6.476 1.520 9485802 17.195 6.813 1.525 11096140 17.195 7.075 1.529 9850562 17.195 7.186 1.525 9758285 17.420 2.417 1.527 15108142 17.601 2.183 0.719 6840889 17.601 2.784 0.719 5518809 17.601 3.736 0.709 10673334 17.601 7.781 0.719 8641829 17.655 4.741 0.950 16894400 17.658 2.007 0.953 22169018 17.658 2.901 0.958 4561128 17.658 3.517 0.953 7349769 17.658 3.942 0.948 30783678 17.658 4.806 0.943 10167442 17.658 7.004 0.953 7552900 17.658 8.235 0.953 7171337 17.658 8.557 0.958 19281236 17.711 1.070 0.848 24934072 17.711 1.246 0.858 10073238 17.711 1.861 0.858 25268462 17.711 2.139 0.853 13315791 17.711 4.733 0.848 10165533 17.711 8.469 0.848 6036002 17.711 8.865 0.853 3957648 17.913 1.216 0.714 5456330 17.913 1.612 0.709 15135760 17.913 4.513 0.724 8195237 17.913 7.326 0.719 4398474 17.913 9.378 0.724 3587998 17.936 5.408 0.791 5376344 17.947 8.563 0.791 6282176 18.230 1.194 0.799 15714850 18.230 1.927 0.804 34493832 18.230 1.634 0.799 13402688 18.230 4.183 0.804 11535835 18.230 4.813 0.814 17102822 18.230 6.718 0.824 11623537 18.230 8.872 0.799 8769594 18.230 9.341 0.799 10380896 18.822 1.755 0.999 11798059 18.826 0.777 1.000 31443324 18.830 0.511 1.002 24965536 18.831 2.305 1.004 5100262 18.837 1.976 1.001 9204776 18.840 8.621 0.998 4271914 18.845 4.841 1.000 16989878 18.849 1.545 1.000 24937728 18.870 8.218 1.003 12769850 19.096 6.713 1.008 3635548 19.272 7.841 1.430 8821256 19.284 9.514 1.431 14469932 19.290 0.787 1.431 43262288 19.299 3.719 1.431 32463368 19.315 0.669 1.430 46774676 19.320 1.802 1.430 24200184 19.326 9.270 1.430 25158328 19.338 4.095 1.433 6784799 19.417 4.245 1.432 8284551 20.907 1.861 0.919 7167589 20.907 2.066 0.924 29058658 20.907 4.205 0.919 18566864 20.907 8.425 0.929 6231129 20.907 8.616 0.934 5531412 21.094 7.500 1.098 10670950 21.095 7.226 0.651 2575828 21.096 7.007 1.207 9196012 21.141 5.121 1.210 15432235 21.153 1.951 1.211 6034818 21.171 2.150 1.066 8283008 21.172 4.328 1.102 46644828 21.179 2.939 1.206 11294692 21.180 4.765 1.066 21690062 21.184 3.974 1.209 21895032 21.208 8.477 1.209 13387228 21.208 6.564 1.212 4630765 21.221 1.780 1.066 9371423 21.224 4.042 1.065 19519560 21.241 0.656 1.064 21584572 21.300 8.851 1.066 4846654 21.327 9.121 1.063 7526768 21.375 7.841 0.978 17742128 21.382 4.248 0.978 20015716 21.387 2.305 0.984 12520241 21.388 3.787 0.671 16537152 21.390 8.422 0.682 9024122 21.401 3.633 0.671 12709388 21.406 2.017 0.979 31057158 21.407 9.263 0.978 23534844 21.414 9.514 0.979 24956596 21.424 4.636 0.674 30560716 21.426 1.241 0.671 27824536 21.454 3.272 0.673 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3.610 4214698 58.517 1.121 3.620 6527892 58.517 1.370 3.610 3317123 58.517 1.736 3.615 8067604 58.517 7.964 3.620 4753471 58.517 8.286 3.615 3462729 58.517 9.114 4.555 7597606 58.535 7.045 4.356 5119644 58.570 7.817 4.355 9296862 58.867 6.313 3.552 2645742 58.870 8.726 3.554 3400685 58.912 1.427 4.079 5745622 58.922 7.170 4.080 6285824 58.945 1.386 3.557 5646366 58.947 3.743 4.080 6895106 58.956 6.742 3.556 6002880 58.956 11.008 4.080 20646576 58.964 8.368 3.972 3970535 59.008 0.924 3.555 4437642 59.024 0.677 4.075 11321882 59.036 0.356 3.558 3409782 59.057 -0.911 3.557 3309884 59.062 2.301 3.974 5426823 59.083 8.571 3.978 3489240 59.087 4.802 4.079 10649115 59.088 2.461 3.543 3818689 59.091 0.761 3.561 6201496 59.108 2.233 3.970 5308130 59.135 7.782 3.557 5311691 59.157 7.803 3.962 10214647 59.157 1.956 3.957 18264206 59.157 1.619 3.962 9513362 59.157 1.473 3.962 8878716 59.157 8.030 4.039 2550746 59.184 3.128 4.050 10808912 59.210 3.550 4.270 10403346 59.224 7.776 4.273 6024450 59.230 8.550 4.048 4470554 59.239 3.722 4.272 16250209 59.341 7.599 4.271 9206964 59.739 0.850 4.672 8578683 59.739 1.890 4.682 5229190 59.739 8.440 4.675 15882218 59.950 2.117 3.664 8617218 59.950 1.927 3.664 6436373 59.950 1.634 3.669 4422096 59.950 1.033 3.659 13503538 59.950 8.770 3.669 5482674 60.160 2.015 3.517 7933604 60.160 1.810 3.517 5766746 60.160 1.326 3.517 5610229 60.160 1.180 3.508 7254477 60.160 0.725 3.512 5947245 60.160 8.389 3.512 3432244 60.160 0.520 3.522 4565757 60.259 7.382 3.674 2782740 60.356 1.196 4.497 5846686 60.712 1.641 4.492 12909614 60.712 0.718 4.487 9168976 61.002 8.766 4.304 9576745 61.054 1.330 4.303 10686942 61.069 8.875 5.117 10063996 61.074 4.623 4.306 8948242 61.121 5.332 5.119 10779312 61.150 0.799 4.155 16646917 61.150 1.018 4.160 3471834 61.150 1.209 4.160 3910648 61.150 1.605 4.150 4628460 61.150 1.810 4.150 4285162 61.150 1.956 4.155 4933276 61.150 9.282 4.150 25379032 61.161 8.491 5.121 16102961 61.261 0.367 3.516 4361716 61.272 8.722 3.526 6595080 61.278 7.119 3.523 4343151 61.311 0.577 3.526 15364821 61.312 0.907 3.526 11660050 61.359 2.454 3.527 5464620 61.393 1.417 3.526 2808638 61.451 8.227 5.114 2769682 61.451 7.085 5.119 4904797 61.451 6.792 5.124 2813582 61.451 6.352 5.124 5759426 61.451 2.967 5.119 7827614 61.451 2.513 5.119 5011832 61.451 2.337 5.114 4254718 61.451 1.927 5.114 4162021 61.451 1.341 5.124 2604183 61.451 1.194 5.119 11954534 61.451 0.989 5.110 3287922 61.451 3.993 5.119 3481033 61.462 9.083 5.120 2660104 61.587 1.121 4.313 15860392 61.587 7.524 4.309 8497764 61.587 8.022 4.313 5850844 61.622 2.031 3.524 3554410 61.662 3.297 4.157 8968648 61.662 3.004 4.167 8685788 61.662 2.579 4.172 3819643 61.662 6.916 4.172 12314237 61.662 8.015 4.167 6261694 61.662 8.718 4.162 2647490 61.753 4.068 4.172 11275555 61.982 7.653 4.209 4976716 62.055 9.015 4.214 12124730 62.079 4.560 4.213 13872859 62.090 2.179 4.214 8599887 62.217 1.834 4.211 5497378 62.220 1.376 4.193 3709887 62.373 2.011 4.254 7780388 62.389 0.797 4.252 9517316 62.436 9.271 4.254 30077106 62.444 0.994 4.255 18307852 62.543 1.436 4.252 4900616 62.568 3.732 3.978 44745924 62.577 3.981 3.732 48019216 62.577 0.678 3.975 11308916 62.582 0.672 3.737 4496434 62.594 7.162 3.732 14388776 62.617 7.165 3.980 11380878 62.761 0.681 4.013 25963220 62.761 1.224 4.018 4584871 62.761 1.839 4.013 14316420 62.761 7.407 4.028 6638375 62.886 8.415 4.381 3597024 63.034 4.806 4.003 7074109 63.089 8.704 4.428 14674323 63.089 2.579 4.438 7474678 63.123 1.876 4.374 5009348 63.123 2.330 4.389 10623855 63.123 8.660 4.384 21051196 63.123 3.795 4.389 3755730 63.396 7.595 3.724 4289152 63.479 3.547 3.722 31061722 63.480 4.273 3.725 11142298 63.483 0.004 3.730 6644280 63.494 3.726 3.544 31845480 63.500 0.457 3.533 4306057 63.504 0.478 3.723 6453727 63.521 4.277 3.550 7243210 63.528 7.601 3.542 9038032 63.551 0.001 3.545 4954431 64.152 3.634 3.847 47580536 64.152 3.839 3.617 44909732 64.152 5.700 3.617 5593936 64.152 5.700 3.842 4244324 64.152 8.484 3.613 1928935 64.152 8.499 3.847 4125440 64.152 8.923 3.622 5403465 64.152 8.894 3.837 6866608 64.256 8.439 4.187 6380111 64.259 0.866 4.187 32711306 64.291 2.101 4.188 7590198 64.372 2.161 4.360 10834056 64.372 1.927 4.370 7159711 65.516 4.767 4.106 7926432 65.584 4.764 4.013 8421276 65.605 5.437 4.093 3856838 65.607 5.410 4.010 3706804 65.759 6.901 4.003 4167623 65.759 6.887 4.091 3092512 65.759 9.129 4.033 2610951 65.759 9.114 4.096 3309610 66.481 0.791 3.840 8608524 66.481 1.231 3.840 9061326 66.481 1.407 3.840 8767920 66.481 1.817 3.845 5906506 66.481 4.147 3.845 6829828 66.481 8.440 3.835 4970903 66.517 7.455 3.828 2413120 66.601 8.734 3.840 3247020 66.869 7.714 4.083 3261626 66.925 10.597 4.086 14486840 66.942 4.425 4.087 16838298 66.948 6.889 4.086 7818956 66.958 0.899 4.086 14073376 67.102 0.689 4.272 4676007 67.102 1.275 4.277 8578098 67.102 4.015 4.272 8887926 67.102 4.279 4.003 8224626 67.102 2.755 4.262 3206450 67.102 2.784 4.003 3496085 67.102 1.920 4.008 6475302 67.102 1.216 4.003 9647472 67.102 0.674 4.018 2535260 68.074 6.895 4.424 7542384 68.074 8.721 4.182 3649818 68.110 8.429 4.174 2442816 68.125 0.899 4.424 21454386 68.129 7.438 4.193 5197949 68.170 4.091 4.423 13077629 68.229 1.246 4.186 10144260 68.229 4.791 4.182 7917476 68.229 3.810 4.182 10054564 69.206 7.504 4.335 5087184 69.234 8.043 4.341 5134548 69.478 1.121 4.343 18643688 69.503 6.592 3.978 3700736 69.606 8.512 3.978 7917487 69.634 1.205 3.975 17044620 69.661 5.128 3.977 3848633 69.682 2.125 3.973 4848460 69.693 5.411 3.969 2873219 69.751 8.242 4.040 3949210 69.751 9.121 4.055 3273820 69.751 1.092 4.050 9407797 69.751 1.194 4.045 4194620 69.751 0.887 4.040 7253704 70.176 8.748 4.628 5601638 w2 w1 w3 Data 113.616 0.833 7.054 2633308 113.815 1.282 7.052 2673872 113.834 6.724 7.055 2633369 113.930 7.049 7.052 16933218 117.254 6.998 6.618 17959816 117.406 3.897 6.618 2971458 117.546 2.209 7.022 3384318 117.548 1.293 6.641 3071412 117.569 2.669 7.027 1885416 117.571 0.757 6.717 2922888 117.636 2.193 6.767 1756719 117.740 2.924 6.596 2182473 117.806 1.035 6.761 4411951 117.856 7.103 6.767 6684600 117.864 2.643 6.764 3086746 117.867 1.933 6.593 3671706 117.875 1.911 6.763 2786207 117.918 6.857 6.586 15513958 118.001 1.260 6.584 2114204 118.025 2.149 6.587 4136514 118.046 7.379 6.938 14651813 118.130 2.895 6.926 2102190 118.245 1.287 6.935 2905794 118.271 7.040 6.933 20070558 118.335 0.902 6.935 7700844 118.341 0.845 6.691 7343332 118.341 0.845 6.691 7343332 118.473 0.547 6.684 7535253 118.583 4.706 6.930 3661770 118.600 6.942 6.687 9245817 118.683 2.268 6.933 2907886 118.758 7.182 6.321 2586636 119.162 6.736 6.322 2143625 119.177 6.318 6.321 12880423 119.934 3.249 7.201 1420114 119.934 3.431 7.206 2112679 121.813 6.330 7.175 2773386 123.522 6.742 6.740 6048130 123.548 2.478 6.749 1843225 123.954 5.401 6.917 3852654 124.112 6.917 6.917 20318018 124.191 4.097 6.926 2360581 129.082 6.808 6.810 16873658 129.117 7.098 6.807 4317700 129.250 0.789 6.810 1767973 129.268 1.753 6.797 1833174 130.531 0.814 7.191 2502949 130.647 1.554 7.176 1520644 130.867 7.192 7.198 19129646 130.942 1.751 7.202 2610125 131.003 2.348 7.150 1760214 131.073 6.735 7.146 9219392 131.213 7.136 6.743 5731156 131.252 3.318 7.150 1819389 131.913 0.767 6.809 4284378 131.913 1.837 6.820 2150167 131.913 2.394 6.817 4330974 131.913 3.038 6.817 2691064 131.913 3.595 6.820 2379670 131.913 4.767 6.809 6893714 131.977 7.473 6.762 2742435 132.018 2.722 7.324 4778720 132.021 0.604 6.739 2311354 132.034 7.177 7.333 5436606 132.192 0.763 7.324 2455011 132.351 0.548 6.934 2826680 132.351 0.782 6.930 1788082 132.351 3.009 6.934 2032453 132.351 3.273 6.930 2123241 132.351 4.196 6.930 1879653 132.351 6.716 6.930 6763542 132.426 5.374 6.755 1941697 132.514 2.913 6.762 6206594 132.651 0.786 7.097 4090217 132.705 3.963 6.752 3054663 132.768 1.934 7.097 6902752 132.788 0.548 6.934 3895886 132.788 0.958 6.930 1992326 132.788 2.980 6.934 2795474 132.788 3.288 6.934 1538924 132.788 4.181 6.937 2286002 132.788 6.716 6.930 8508761 132.839 2.993 7.098 3850022 132.839 3.066 7.096 4197744 132.855 0.926 7.093 4883494 132.933 6.804 7.101 11211380 133.167 2.690 7.127 2473742 133.304 3.100 7.060 4971230 133.304 6.917 7.059 16598250 133.372 2.255 7.115 2668319 133.446 2.929 7.056 4885598 133.518 2.936 6.862 3564637 133.525 2.151 6.865 2453657 133.642 6.583 6.857 12604987 133.753 2.463 6.858 3644598 133.858 4.730 7.056 2036576 133.896 6.935 7.381 10918469 133.911 5.134 7.381 5644224 133.945 0.841 7.377 4505756 133.968 2.773 7.384 4077460 133.979 2.916 7.007 4555436 134.229 2.831 7.006 4192202 134.234 6.616 7.008 13122021 134.278 7.003 7.007 58707696 134.342 0.994 7.008 2786382 134.412 2.028 7.008 2295078 134.531 1.229 7.015 2894911 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C 1 17094.0 . . . 16072 2 2 H 1 H 2 10627.0 . . . 16072 2 3 H 1 H 1 12755.1 . . . 16072 2 stop_ save_ save_d2o_Cnoesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode d2o_Cnoesy_peak_list _Spectral_peak_list.Entry_ID 16072 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 31.062 2.697 3.289 618703 31.062 2.665 3.199 558281 31.062 5.403 3.281 319668 31.062 5.395 3.176 617429 31.062 7.147 3.285 325284 31.062 7.100 3.207 465848 31.094 0.745 4.299 4304961 31.094 1.466 4.170 2550706 31.094 0.767 4.167 2013555 31.094 2.699 5.091 461956 31.094 2.123 4.729 3107556 31.094 1.956 4.729 1539802 31.094 2.202 2.180 2247437 31.171 0.812 1.760 1015621 31.171 0.820 1.901 780916 31.171 1.922 1.756 2404127 31.171 1.797 1.893 1907329 31.171 2.392 1.772 688217 31.171 2.376 1.909 841039 31.171 5.449 1.772 589929 31.171 5.449 1.897 376755 31.226 1.001 4.092 1721838 31.226 1.423 4.084 651073 31.226 3.003 4.092 2266018 31.226 0.711 4.088 531432 31.226 0.477 4.084 748897 31.278 1.790 4.327 1456927 31.281 0.780 4.165 3132686 31.281 1.484 4.173 3485975 31.289 0.527 4.323 2400389 31.290 1.188 4.323 2383222 31.308 1.497 4.318 869395 31.330 2.248 4.318 771505 31.399 1.334 4.080 886031 31.438 0.485 4.075 2802053 31.494 1.953 4.070 899787 31.495 2.640 4.559 613876 31.501 1.038 1.030 2825655 31.515 3.195 4.569 560674 31.544 2.213 4.575 403008 31.544 4.227 4.562 2396927 31.563 0.492 4.076 1958861 31.563 0.711 4.072 672224 31.563 1.321 4.076 597280 31.568 4.620 5.440 1803516 31.568 2.384 5.440 1105301 31.568 2.094 5.432 1390629 31.568 1.907 5.440 1173816 31.568 1.789 5.440 1358310 31.568 0.804 5.444 858956 31.569 1.924 4.268 2032984 31.569 2.057 4.268 1807890 31.569 2.283 4.264 1464747 31.592 1.039 1.854 3775284 31.592 1.860 1.029 2847924 31.592 2.157 1.029 1416716 31.592 4.613 1.037 805790 31.592 4.613 1.854 1297263 31.592 2.149 1.862 2319470 31.592 1.035 1.839 3342092 31.646 1.470 4.058 1325033 31.680 4.154 2.203 888340 31.691 4.236 2.015 300989 31.717 4.155 1.972 828432 31.719 2.658 4.578 445546 31.758 1.689 1.354 2940492 31.758 1.845 1.354 3890558 31.758 2.510 1.370 354519 31.758 4.012 1.358 956772 31.758 0.711 1.374 360532 31.758 6.757 1.366 444148 31.762 1.887 4.046 1925733 31.764 0.854 4.046 5071188 31.775 1.655 4.045 2615885 31.779 2.102 2.331 1334220 31.779 1.907 2.331 3314596 31.779 4.394 2.323 1381544 31.779 3.823 2.315 386787 31.779 3.604 2.331 286652 31.804 4.742 1.945 1367522 31.853 0.703 3.964 3722578 31.859 6.885 1.940 360184 31.866 1.198 3.960 2004163 31.868 1.238 4.440 1172647 31.879 1.689 4.460 890964 31.880 1.647 3.963 839430 31.908 1.257 4.460 841533 31.909 0.844 2.160 1274533 31.909 0.844 1.933 1196427 31.909 1.947 2.148 7446981 31.909 2.135 1.937 10021026 31.909 3.558 2.152 600404 31.909 3.558 1.945 541140 31.909 3.973 1.937 465331 31.909 3.965 2.129 511044 31.909 4.379 1.937 1489749 31.909 4.372 2.164 1722558 31.909 4.739 2.121 817581 31.909 6.577 1.945 695821 31.909 6.593 2.133 327060 31.929 2.689 4.427 1748234 31.929 2.540 4.423 1778907 31.930 1.826 3.966 1345104 31.953 1.444 3.708 3387034 31.962 0.800 3.709 2589308 31.973 0.999 2.015 4964880 31.973 0.999 2.015 4964880 32.000 0.685 3.711 1830743 32.004 4.261 2.013 1266489 32.031 0.977 3.703 592036 32.031 1.220 3.699 539145 32.031 1.806 3.710 556184 32.031 1.634 3.714 493987 32.045 1.767 4.358 1293308 32.045 1.243 4.362 2532990 32.045 1.149 4.362 1493995 32.045 1.001 4.365 385815 32.045 0.743 4.365 845538 32.053 6.850 4.486 1710260 32.075 2.948 4.486 12784106 32.154 1.007 2.018 3521995 32.154 4.269 2.018 1018251 32.280 2.964 6.344 709580 32.280 3.058 6.336 912433 32.324 1.817 6.325 346371 32.366 -3.148 1.640 0 32.371 0.898 6.344 456395 32.378 0.897 3.965 4457210 32.398 5.110 1.949 281717 32.402 2.541 5.360 636048 32.410 0.372 1.354 508183 32.413 5.117 2.326 345115 32.424 5.123 6.333 1317105 32.426 1.391 0.805 1366748 32.427 2.921 5.336 799555 32.432 9.092 6.337 1032843 32.433 7.087 6.340 936978 32.436 1.327 3.963 1877914 32.437 0.815 1.382 1781408 32.443 6.347 6.338 3046366 32.455 3.902 0.799 401960 32.455 3.582 0.807 463945 32.455 1.407 0.807 1330161 32.455 0.516 0.795 556167 32.465 5.128 5.334 1056021 32.475 1.828 4.126 3376008 32.482 2.094 4.118 1451513 32.482 1.821 4.126 3376008 32.482 1.476 4.134 314416 32.483 6.763 6.345 426635 32.492 1.373 1.359 1861415 32.497 0.518 1.381 593229 32.502 5.364 3.956 643792 32.503 6.759 5.353 501526 32.508 1.498 1.922 2017425 32.528 1.654 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32.839 4.714 5.733 325306 32.839 3.862 5.725 920159 32.839 3.604 5.733 1056973 32.946 1.680 1.842 2269356 32.946 1.469 1.842 1506136 32.946 1.344 1.838 1329408 32.946 2.086 1.838 695206 32.946 2.446 1.854 743612 32.946 2.595 1.830 734461 32.946 4.175 1.846 2843335 32.946 4.448 1.834 536845 32.952 0.753 3.900 1542889 32.958 1.416 3.896 2012198 32.973 3.525 1.667 2093343 32.992 1.684 1.451 9679676 33.016 1.411 3.876 1672426 33.023 1.678 3.889 471445 33.028 3.058 4.721 1558996 33.028 2.369 4.733 1166317 33.028 1.361 4.725 480255 33.028 0.766 4.725 712695 33.028 6.796 4.729 2498220 33.082 1.860 4.165 4351550 33.082 1.719 4.157 634749 33.082 1.469 4.157 1094777 33.082 1.383 4.161 722664 33.138 0.978 3.939 2901727 33.138 0.978 3.939 2901727 33.152 3.511 3.939 3266593 33.152 3.511 3.939 3266593 33.171 4.190 2.100 815621 33.181 0.873 2.094 3593426 33.192 0.735 1.233 672438 33.192 0.790 1.773 657684 33.192 1.243 1.777 3187096 33.192 1.783 1.225 2602070 33.192 4.379 1.237 494919 33.192 4.395 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1.840 2.177 2325223 54.874 2.191 1.829 3668573 54.877 1.741 5.037 694770 54.881 4.219 2.177 924569 54.896 2.198 2.178 3383972 54.907 1.843 1.831 5029006 54.914 4.794 5.098 1234162 54.917 1.545 1.910 711039 54.924 1.939 1.918 8049842 54.937 1.223 1.924 790228 55.000 3.103 5.093 0 55.000 1.787 1.902 0 55.000 3.103 5.096 0 55.000 3.103 5.096 0 55.000 0.739 4.346 0 55.000 1.294 4.350 0 55.000 2.596 4.633 0 55.000 1.079 4.299 0 55.000 1.367 4.302 0 55.000 1.248 4.310 0 55.000 0.746 4.300 0 55.000 2.995 4.091 0 55.000 0.995 4.089 0 55.000 1.785 1.769 0 55.000 2.782 4.641 2700876 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C 1 4521.8 . . . 16072 3 2 H 1 H 2 8990.8 . . . 16072 3 3 H 1 H 1 12001.2 . . . 16072 3 stop_ save_ save_4D_CC_noesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D_CC_noesy_peak_list _Spectral_peak_list.Entry_ID 16072 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '4D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.997 24.460 0.534 4.337 52681 13.997 24.599 0.530 0.630 141323 13.997 28.488 -0.215 6.703 147846 13.997 29.777 0.103 6.752 61539 13.997 30.129 -0.155 6.569 167025 13.997 17.710 2.584 4.460 -22079 13.997 15.669 2.129 4.745 -58748 13.997 31.898 2.130 4.743 30159 13.997 31.876 1.958 4.732 35738 13.997 26.855 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0.642 -24434 27.028 27.179 1.517 0.822 31379 27.033 27.055 1.513 1.504 1163213 27.036 27.062 0.644 0.643 1011262 27.036 18.131 0.764 0.824 19463 27.042 25.528 0.711 1.300 91983 27.053 23.805 0.817 0.644 95954 27.055 32.006 1.949 1.941 46240 27.068 27.304 1.754 0.835 22406 27.085 27.280 1.532 0.641 39715 27.114 25.530 3.938 4.316 13289 27.133 26.982 0.206 6.740 25483 27.185 25.552 0.925 0.917 -92319 27.186 23.026 0.731 1.416 50820 27.255 22.535 0.737 1.367 51891 27.255 22.535 0.737 1.367 51891 27.268 23.007 0.807 1.815 31553 27.272 19.607 1.904 1.481 -32682 27.303 13.890 0.806 7.216 -30145 27.331 25.242 0.870 1.466 93407 27.357 16.578 3.995 1.846 52772 27.370 14.340 4.068 1.470 25333 27.379 22.757 0.851 1.484 72610 27.460 19.652 1.640 1.455 -44527 27.546 24.055 0.964 0.759 -30962 27.564 22.133 0.319 0.779 46814 27.589 27.603 0.140 7.129 127286 27.599 27.641 0.752 0.751 167324 27.602 16.560 4.491 7.123 -29597 27.639 25.086 6.432 0.755 45782 27.680 17.300 0.904 7.120 -23089 27.932 27.773 1.299 0.730 61869 28.103 21.416 1.100 4.325 146184 28.122 20.306 4.310 4.325 144074 28.215 13.919 4.302 1.776 16229 28.220 19.231 4.740 4.032 42462 28.266 23.810 0.922 4.038 37888 28.270 28.277 4.032 4.033 306033 28.277 22.296 0.296 7.296 -15987 28.279 21.640 1.089 4.034 89860 28.307 19.326 2.499 6.769 18931 28.317 20.097 5.132 3.962 21558 28.362 21.508 1.209 3.960 97796 28.362 21.508 1.209 3.960 97796 28.366 28.411 3.969 3.962 402505 28.412 18.871 3.049 6.797 24320 28.422 28.441 -0.213 6.786 378779 28.426 14.328 -0.296 6.789 143188 28.480 19.612 2.937 6.748 23848 28.504 28.507 0.313 7.309 152787 28.504 28.507 0.313 7.309 152787 28.568 15.681 4.736 6.781 -47027 28.612 30.034 0.555 6.794 11901 28.676 20.911 2.709 7.301 22987 28.719 24.168 1.773 7.307 -16096 28.866 28.902 -0.240 6.751 331531 28.911 18.173 1.429 7.102 -14720 28.953 33.301 4.732 1.790 -16339 28.974 28.996 4.614 4.612 194560 28.975 27.614 1.907 7.086 -19445 29.004 19.696 4.309 4.611 50064 29.005 22.161 1.328 4.612 62129 29.011 23.974 2.878 6.757 15921 29.021 14.625 -0.324 6.753 123888 29.041 29.005 3.126 7.090 -42027 29.045 20.497 4.150 6.918 -21042 29.174 25.806 -0.208 7.087 27333 29.223 15.133 -0.330 6.914 80756 29.254 29.226 -0.078 6.914 178287 29.368 22.486 3.034 7.079 29153 29.369 23.920 0.913 7.083 -33470 29.396 25.632 -0.170 7.080 35640 29.443 22.604 0.942 6.915 -23249 29.476 14.400 4.294 1.819 19283 29.491 33.215 2.170 0.753 10349 29.614 15.538 3.053 7.034 28898 29.614 15.538 3.053 7.034 28898 29.706 14.293 -0.238 7.097 49394 29.888 29.896 0.045 7.040 650434 29.944 14.981 -0.079 7.040 142207 29.966 22.455 0.919 7.022 -29560 29.995 33.415 4.714 7.044 26114 30.003 25.854 0.649 7.079 -10857 30.032 21.028 2.417 6.841 24925 30.071 26.880 1.683 4.919 -20117 30.122 20.875 2.945 6.850 30006 30.126 14.348 -0.127 7.124 20211 30.135 14.446 -0.446 6.842 164513 30.160 30.150 -0.157 6.841 410047 30.243 30.263 0.593 0.592 1583134 30.245 14.994 -0.320 0.601 26205 30.248 22.672 0.945 0.589 -41812 30.265 28.426 -0.269 0.592 33077 30.267 27.687 2.035 0.578 -22267 30.277 20.153 3.546 0.592 -75464 30.278 17.294 0.915 0.592 -98391 30.299 29.044 -0.070 0.600 27114 30.305 17.027 0.226 0.598 -30955 30.323 27.958 1.411 0.592 -24541 30.337 23.012 0.842 7.369 -30049 30.401 30.412 0.371 7.363 239628 30.421 15.552 2.475 0.594 21009 30.436 14.552 -0.071 7.364 77353 30.498 15.291 5.106 7.361 -28404 30.621 28.201 1.154 0.755 -27225 30.661 27.972 1.771 0.748 -22759 30.668 16.823 4.815 0.748 -65384 30.702 22.860 0.901 0.751 -99529 30.708 23.797 0.712 0.751 -59853 30.708 30.667 0.751 0.749 1272436 30.722 16.993 1.028 0.749 -97426 30.722 17.437 0.906 7.046 18375 30.809 30.800 -0.006 6.988 468465 30.828 33.300 2.165 0.749 -16700 30.831 21.423 1.209 6.996 -25606 30.849 33.332 2.178 0.773 -15970 30.949 22.107 1.292 7.045 17863 31.224 18.347 0.774 1.753 25758 31.240 24.298 1.756 5.406 -28886 31.437 25.509 1.338 4.625 -15804 31.525 16.938 0.249 5.177 -21873 31.572 31.610 5.409 5.403 204714 31.635 21.547 1.678 4.574 23510 31.779 21.788 0.693 4.638 -55822 31.846 31.852 5.176 5.171 259503 31.952 26.798 0.755 5.171 -18936 31.955 23.099 0.816 5.172 -62896 32.067 22.010 0.999 2.023 99011 32.070 32.055 2.022 2.022 665417 32.110 23.765 1.274 4.632 -19577 32.131 21.386 4.252 2.024 29889 32.693 23.884 3.930 5.410 13527 32.714 21.232 4.260 0.823 -44209 32.721 21.915 3.586 0.016 -15861 32.756 16.117 3.509 1.470 18800 32.763 19.714 4.165 0.818 -56112 32.771 27.898 1.615 0.818 -94759 32.777 16.198 1.956 0.821 61771 32.778 22.397 1.009 0.823 -95413 32.780 32.783 0.819 0.822 6867664 32.781 18.256 0.791 0.823 -175470 32.788 29.170 0.106 0.787 15994 32.789 27.909 1.193 0.819 -96753 32.823 32.032 2.032 0.828 -19698 32.863 19.510 1.055 0.003 35435 32.903 25.603 1.780 1.460 33573 32.948 25.810 0.466 0.007 -77986 32.961 17.795 0.858 1.454 -34785 32.962 33.003 0.005 0.008 2302684 32.971 15.448 2.106 1.466 17145 32.989 16.997 0.251 0.007 -84393 33.027 33.056 1.679 1.449 126461 33.030 24.984 0.830 0.828 -310672 33.037 33.052 1.458 1.460 256777 33.056 24.987 0.841 1.485 -38357 33.126 22.021 3.557 -0.008 -17017 33.164 15.896 3.552 1.488 18093 33.260 25.804 1.728 1.488 20926 33.265 20.559 4.742 1.010 -15183 33.418 29.018 0.059 0.750 10070 33.433 27.255 1.613 1.031 -21391 33.521 28.886 2.193 4.704 -23240 33.565 15.132 -0.069 4.714 24486 34.050 29.661 1.967 1.033 -58504 34.050 29.601 1.044 1.035 -53296 34.050 18.787 3.661 1.036 -55645 34.050 18.651 0.823 1.035 -113006 34.050 26.817 0.957 1.038 -36740 34.050 27.067 0.855 1.008 -21107 34.050 22.514 1.887 1.037 33422 34.050 17.824 1.528 0.764 -99495 34.050 17.980 0.976 0.766 -135202 34.050 29.017 1.933 0.765 -61483 34.050 28.998 0.917 0.762 -72167 34.050 31.731 1.360 0.762 26784 34.050 27.328 1.454 0.732 23374 34.050 19.065 2.006 0.764 47370 34.050 22.163 0.319 5.062 -60309 34.050 34.050 1.034 1.035 1244647 34.050 26.814 1.281 0.791 -77200 34.050 26.755 1.059 0.790 -98992 34.050 24.777 0.770 0.775 783016 34.050 22.322 1.862 0.790 43547 34.050 22.628 0.473 0.802 -28733 34.050 21.456 1.077 0.785 -54199 34.050 21.505 0.969 0.795 -54563 34.050 15.700 4.806 0.796 3599 34.050 14.290 -0.253 1.037 30979 34.050 15.890 2.130 1.034 19641 34.050 20.711 4.856 1.044 -21660 34.050 22.720 0.872 1.494 100233 34.050 17.834 0.851 1.449 114402 34.050 15.468 2.141 1.462 -34995 34.050 29.808 -0.014 4.717 18349 34.050 24.421 4.007 5.424 -20983 34.050 24.365 4.067 5.384 -20988 34.050 16.342 4.788 5.104 -24548 34.050 25.380 0.782 5.095 -18598 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C 1 3124.3 . . . 16072 4 2 C 13 C 1 3124.3 . . . 16072 4 3 H 1 H 2 4201.7 . . . 16072 4 4 H 1 H 2 8000 . . . 16072 4 stop_ save_