data_17613 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17613 _Entry.Title ; Solution NMR Structure of DE NOVO DESIGNED PROTEIN, P-LOOP NTPASE FOLD, Northeast Structural Genomics Consortium Target OR36 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-29 _Entry.Accession_date 2011-04-29 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Gaohua Liu . . . . 17613 2 Nobuyasu Koga . . . . 17613 3 Rie Koga . . . . 17613 4 Rong Xiao . . . . 17613 5 Haleema Janjua . . . . 17613 6 colleen Ciccosanti . . . . 17613 7 Hsiau-Wei Lee . . . . 17613 8 Thomas Acton . B. . . 17613 9 John Everett . . . . 17613 10 David Baker . . . . 17613 11 Gaetano Montelione . T. . . 17613 12 NESG 'Northeast Structural Genomics Consortium' . . . . 17613 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' . 17613 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Denovo Design' . 17613 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 17613 'Protein NMR' . 17613 'Protein Structure Initiative' . 17613 'Structural Genomics' . 17613 'Target OR36' . 17613 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 2 17613 assigned_chemical_shifts 1 17613 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 598 17613 '15N chemical shifts' 139 17613 '1H chemical shifts' 1003 17613 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-09-21 2011-04-29 update BMRB 'update entry citation' 17613 1 . . 2011-06-01 2011-04-29 original author 'original release' 17613 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCI 'BMRB Entry Tracking System' 17613 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17613 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34168113 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Role of backbone strain in de novo design of complex alpha/beta protein structures ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3921 _Citation.Page_last 3921 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Koga N. . . . 17613 1 2 R. Koga R. . . . 17613 1 3 G. Liu G. . . . 17613 1 4 J. Castellanos J. . . . 17613 1 5 G. Montelione G. T. . . 17613 1 6 D. Baker D. . . . 17613 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17613 _Assembly.ID 1 _Assembly.Name OR36 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OR36 1 $OR36 A . yes native no no . . . 17613 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR36 _Entity.Sf_category entity _Entity.Sf_framecode OR36 _Entity.Entry_ID 17613 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR36 _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 ; MKILILINTNNDELIKKIKK EVENQGYQVRDVNDSDELKK EMKKLAEEKNFEKILIISND KQLLKEMLELISKLGYKVFL LLQDQDENELEEFKRKIESQ GYEVRKVTDDEEALKIVREF MQKAGSLEHHHHHH ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16031.576 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 17613 1 2 . LYS . 17613 1 3 . ILE . 17613 1 4 . LEU . 17613 1 5 . ILE . 17613 1 6 . LEU . 17613 1 7 . ILE . 17613 1 8 . ASN . 17613 1 9 . THR . 17613 1 10 . ASN . 17613 1 11 . ASN . 17613 1 12 . ASP . 17613 1 13 . GLU . 17613 1 14 . LEU . 17613 1 15 . ILE . 17613 1 16 . LYS . 17613 1 17 . LYS . 17613 1 18 . ILE . 17613 1 19 . LYS . 17613 1 20 . LYS . 17613 1 21 . GLU . 17613 1 22 . VAL . 17613 1 23 . GLU . 17613 1 24 . ASN . 17613 1 25 . GLN . 17613 1 26 . GLY . 17613 1 27 . TYR . 17613 1 28 . GLN . 17613 1 29 . VAL . 17613 1 30 . ARG . 17613 1 31 . ASP . 17613 1 32 . VAL . 17613 1 33 . ASN . 17613 1 34 . ASP . 17613 1 35 . SER . 17613 1 36 . ASP . 17613 1 37 . GLU . 17613 1 38 . LEU . 17613 1 39 . LYS . 17613 1 40 . LYS . 17613 1 41 . GLU . 17613 1 42 . MET . 17613 1 43 . LYS . 17613 1 44 . LYS . 17613 1 45 . LEU . 17613 1 46 . ALA . 17613 1 47 . GLU . 17613 1 48 . GLU . 17613 1 49 . LYS . 17613 1 50 . ASN . 17613 1 51 . PHE . 17613 1 52 . GLU . 17613 1 53 . LYS . 17613 1 54 . ILE . 17613 1 55 . LEU . 17613 1 56 . ILE . 17613 1 57 . ILE . 17613 1 58 . SER . 17613 1 59 . ASN . 17613 1 60 . ASP . 17613 1 61 . LYS . 17613 1 62 . GLN . 17613 1 63 . LEU . 17613 1 64 . LEU . 17613 1 65 . LYS . 17613 1 66 . GLU . 17613 1 67 . MET . 17613 1 68 . LEU . 17613 1 69 . GLU . 17613 1 70 . LEU . 17613 1 71 . ILE . 17613 1 72 . SER . 17613 1 73 . LYS . 17613 1 74 . LEU . 17613 1 75 . GLY . 17613 1 76 . TYR . 17613 1 77 . LYS . 17613 1 78 . VAL . 17613 1 79 . PHE . 17613 1 80 . LEU . 17613 1 81 . LEU . 17613 1 82 . LEU . 17613 1 83 . GLN . 17613 1 84 . ASP . 17613 1 85 . GLN . 17613 1 86 . ASP . 17613 1 87 . GLU . 17613 1 88 . ASN . 17613 1 89 . GLU . 17613 1 90 . LEU . 17613 1 91 . GLU . 17613 1 92 . GLU . 17613 1 93 . PHE . 17613 1 94 . LYS . 17613 1 95 . ARG . 17613 1 96 . LYS . 17613 1 97 . ILE . 17613 1 98 . GLU . 17613 1 99 . SER . 17613 1 100 . GLN . 17613 1 101 . GLY . 17613 1 102 . TYR . 17613 1 103 . GLU . 17613 1 104 . VAL . 17613 1 105 . ARG . 17613 1 106 . LYS . 17613 1 107 . VAL . 17613 1 108 . THR . 17613 1 109 . ASP . 17613 1 110 . ASP . 17613 1 111 . GLU . 17613 1 112 . GLU . 17613 1 113 . ALA . 17613 1 114 . LEU . 17613 1 115 . LYS . 17613 1 116 . ILE . 17613 1 117 . VAL . 17613 1 118 . ARG . 17613 1 119 . GLU . 17613 1 120 . PHE . 17613 1 121 . MET . 17613 1 122 . GLN . 17613 1 123 . LYS . 17613 1 124 . ALA . 17613 1 125 . GLY . 17613 1 126 . SER . 17613 1 127 . LEU . 17613 1 128 . GLU . 17613 1 129 . HIS . 17613 1 130 . HIS . 17613 1 131 . HIS . 17613 1 132 . HIS . 17613 1 133 . HIS . 17613 1 134 . HIS . 17613 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 17613 1 . LYS 2 2 17613 1 . ILE 3 3 17613 1 . LEU 4 4 17613 1 . ILE 5 5 17613 1 . LEU 6 6 17613 1 . ILE 7 7 17613 1 . ASN 8 8 17613 1 . THR 9 9 17613 1 . ASN 10 10 17613 1 . ASN 11 11 17613 1 . ASP 12 12 17613 1 . GLU 13 13 17613 1 . LEU 14 14 17613 1 . ILE 15 15 17613 1 . LYS 16 16 17613 1 . LYS 17 17 17613 1 . ILE 18 18 17613 1 . LYS 19 19 17613 1 . LYS 20 20 17613 1 . GLU 21 21 17613 1 . VAL 22 22 17613 1 . GLU 23 23 17613 1 . ASN 24 24 17613 1 . GLN 25 25 17613 1 . GLY 26 26 17613 1 . TYR 27 27 17613 1 . GLN 28 28 17613 1 . VAL 29 29 17613 1 . ARG 30 30 17613 1 . ASP 31 31 17613 1 . VAL 32 32 17613 1 . ASN 33 33 17613 1 . ASP 34 34 17613 1 . SER 35 35 17613 1 . ASP 36 36 17613 1 . GLU 37 37 17613 1 . LEU 38 38 17613 1 . LYS 39 39 17613 1 . LYS 40 40 17613 1 . GLU 41 41 17613 1 . MET 42 42 17613 1 . LYS 43 43 17613 1 . LYS 44 44 17613 1 . LEU 45 45 17613 1 . ALA 46 46 17613 1 . GLU 47 47 17613 1 . GLU 48 48 17613 1 . LYS 49 49 17613 1 . ASN 50 50 17613 1 . PHE 51 51 17613 1 . GLU 52 52 17613 1 . LYS 53 53 17613 1 . ILE 54 54 17613 1 . LEU 55 55 17613 1 . ILE 56 56 17613 1 . ILE 57 57 17613 1 . SER 58 58 17613 1 . ASN 59 59 17613 1 . ASP 60 60 17613 1 . LYS 61 61 17613 1 . GLN 62 62 17613 1 . LEU 63 63 17613 1 . LEU 64 64 17613 1 . LYS 65 65 17613 1 . GLU 66 66 17613 1 . MET 67 67 17613 1 . LEU 68 68 17613 1 . GLU 69 69 17613 1 . LEU 70 70 17613 1 . ILE 71 71 17613 1 . SER 72 72 17613 1 . LYS 73 73 17613 1 . LEU 74 74 17613 1 . GLY 75 75 17613 1 . TYR 76 76 17613 1 . LYS 77 77 17613 1 . VAL 78 78 17613 1 . PHE 79 79 17613 1 . LEU 80 80 17613 1 . LEU 81 81 17613 1 . LEU 82 82 17613 1 . GLN 83 83 17613 1 . ASP 84 84 17613 1 . GLN 85 85 17613 1 . ASP 86 86 17613 1 . GLU 87 87 17613 1 . ASN 88 88 17613 1 . GLU 89 89 17613 1 . LEU 90 90 17613 1 . GLU 91 91 17613 1 . GLU 92 92 17613 1 . PHE 93 93 17613 1 . LYS 94 94 17613 1 . ARG 95 95 17613 1 . LYS 96 96 17613 1 . ILE 97 97 17613 1 . GLU 98 98 17613 1 . SER 99 99 17613 1 . GLN 100 100 17613 1 . GLY 101 101 17613 1 . TYR 102 102 17613 1 . GLU 103 103 17613 1 . VAL 104 104 17613 1 . ARG 105 105 17613 1 . LYS 106 106 17613 1 . VAL 107 107 17613 1 . THR 108 108 17613 1 . ASP 109 109 17613 1 . ASP 110 110 17613 1 . GLU 111 111 17613 1 . GLU 112 112 17613 1 . ALA 113 113 17613 1 . LEU 114 114 17613 1 . LYS 115 115 17613 1 . ILE 116 116 17613 1 . VAL 117 117 17613 1 . ARG 118 118 17613 1 . GLU 119 119 17613 1 . PHE 120 120 17613 1 . MET 121 121 17613 1 . GLN 122 122 17613 1 . LYS 123 123 17613 1 . ALA 124 124 17613 1 . GLY 125 125 17613 1 . SER 126 126 17613 1 . LEU 127 127 17613 1 . GLU 128 128 17613 1 . HIS 129 129 17613 1 . HIS 130 130 17613 1 . HIS 131 131 17613 1 . HIS 132 132 17613 1 . HIS 133 133 17613 1 . HIS 134 134 17613 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 17613 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $OR36 . . 'no natural source' . . 'Denove Design' . . . . . . . . . . . . . . . . . . 'De Novo Designed Protein' 17613 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 17613 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $OR36 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET29b+ . . 'C tag sequence: GSLEHHHHHH' 17613 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 17613 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.71mM OR36, NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR36 '[U-100% 13C; U-100% 15N]' . . 1 $OR36 . . 0.71 . . mM . . . . 17613 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17613 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17613 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17613 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17613 1 6 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 17613 1 7 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 17613 1 8 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17613 1 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17613 1 10 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 17613 1 stop_ save_ save_sample_NC5 _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5 _Sample.Entry_ID 17613 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.95mM OR36, NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR36 '[U-10% 13C; U-100% 15N]' . . 1 $OR36 . . 0.95 . . mM . . . . 17613 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17613 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17613 2 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17613 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17613 2 6 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 17613 2 7 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 17613 2 8 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17613 2 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17613 2 10 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 17613 2 stop_ save_ save_sample_NC5_RDC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5_RDC _Sample.Entry_ID 17613 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.95mM OR36, NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR36 '[U-10% 13C; U-100% 15N]' . . 1 $OR36 . . 0.95 . . mM . . . . 17613 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17613 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17613 3 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17613 3 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17613 3 6 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 17613 3 7 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 17613 3 8 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17613 3 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17613 3 10 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 17613 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 17613 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 17613 1 pressure 1 . atm 17613 1 temperature 298 . K 17613 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17613 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17613 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' . 17613 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17613 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17613 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' . 17613 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17613 _Software.ID 3 _Software.Type . _Software.Name AutoStruct _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17613 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' . 17613 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17613 _Software.ID 4 _Software.Type . _Software.Name AutoAssign _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17613 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' . 17613 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17613 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17613 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 17613 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17613 _Software.ID 6 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17613 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' . 17613 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17613 _Software.ID 7 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17613 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 17613 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17613 _Software.ID 8 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17613 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 17613 8 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17613 _Software.ID 9 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17613 9 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 17613 9 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17613 _Software.ID 10 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 17613 10 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 17613 10 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 17613 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17613 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17613 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17613 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17613 1 2 spectrometer_2 Varian INOVA . 600 . . . 17613 1 3 spectrometer_3 Varian INOVA . 600 . . . 17613 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 17613 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17613 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17613 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17613 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17613 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17613 1 6 '3D 1H-13C arom NOESY' no . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17613 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17613 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_NC5_RDC isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 17613 1 9 '2D HetNOE' no . . . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 17613 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 17613 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; LACS offset CACB:0.15ppm CO:0.25ppm HA:-0.06ppm ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 17613 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 17613 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 17613 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 17613 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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' . . . 17613 1 4 '3D CBCA(CO)NH' . . . 17613 1 5 '3D HNCACB' . . . 17613 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 17613 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.118 0.020 . 1 . . . . A 1 MET HA . 17613 1 2 . 1 . 1 1 1 MET HB2 H 1 2.030 0.020 . 2 . . . . A 1 MET HB2 . 17613 1 3 . 1 . 1 1 1 MET HB3 H 1 2.198 0.020 . 2 . . . . A 1 MET HB3 . 17613 1 4 . 1 . 1 1 1 MET HG2 H 1 2.429 0.020 . 2 . . . . A 1 MET HG2 . 17613 1 5 . 1 . 1 1 1 MET HG3 H 1 2.602 0.020 . 2 . . . . A 1 MET HG3 . 17613 1 6 . 1 . 1 1 1 MET CA C 13 54.500 0.400 . 1 . . . . A 1 MET CA . 17613 1 7 . 1 . 1 1 1 MET CB C 13 33.173 0.400 . 1 . . . . A 1 MET CB . 17613 1 8 . 1 . 1 1 1 MET CG C 13 30.985 0.400 . 1 . . . . A 1 MET CG . 17613 1 9 . 1 . 1 2 2 LYS HG2 H 1 1.068 0.020 . 2 . . . . A 2 LYS HG2 . 17613 1 10 . 1 . 1 2 2 LYS HG3 H 1 1.035 0.020 . 2 . . . . A 2 LYS HG3 . 17613 1 11 . 1 . 1 2 2 LYS HD2 H 1 1.261 0.020 . 2 . . . . A 2 LYS HD2 . 17613 1 12 . 1 . 1 2 2 LYS HD3 H 1 0.960 0.020 . 2 . . . . A 2 LYS HD3 . 17613 1 13 . 1 . 1 2 2 LYS HE2 H 1 2.758 0.020 . 2 . . . . A 2 LYS HE2 . 17613 1 14 . 1 . 1 2 2 LYS HE3 H 1 2.881 0.020 . 2 . . . . A 2 LYS HE3 . 17613 1 15 . 1 . 1 2 2 LYS CG C 13 25.517 0.400 . 1 . . . . A 2 LYS CG . 17613 1 16 . 1 . 1 2 2 LYS CD C 13 28.798 0.400 . 1 . . . . A 2 LYS CD . 17613 1 17 . 1 . 1 2 2 LYS CE C 13 42.469 0.400 . 1 . . . . A 2 LYS CE . 17613 1 18 . 1 . 1 3 3 ILE H H 1 8.444 0.020 . 1 . . . . A 3 ILE H . 17613 1 19 . 1 . 1 3 3 ILE HA H 1 4.826 0.020 . 1 . . . . A 3 ILE HA . 17613 1 20 . 1 . 1 3 3 ILE HB H 1 1.806 0.020 . 1 . . . . A 3 ILE HB . 17613 1 21 . 1 . 1 3 3 ILE HG12 H 1 1.561 0.020 . 2 . . . . A 3 ILE HG12 . 17613 1 22 . 1 . 1 3 3 ILE HG13 H 1 1.222 0.020 . 2 . . . . A 3 ILE HG13 . 17613 1 23 . 1 . 1 3 3 ILE HG21 H 1 1.077 0.020 . 1 . . . . A 3 ILE HG21 . 17613 1 24 . 1 . 1 3 3 ILE HG22 H 1 1.077 0.020 . 1 . . . . A 3 ILE HG22 . 17613 1 25 . 1 . 1 3 3 ILE HG23 H 1 1.077 0.020 . 1 . . . . A 3 ILE HG23 . 17613 1 26 . 1 . 1 3 3 ILE HD11 H 1 0.969 0.020 . 1 . . . . A 3 ILE HD11 . 17613 1 27 . 1 . 1 3 3 ILE HD12 H 1 0.969 0.020 . 1 . . . . A 3 ILE HD12 . 17613 1 28 . 1 . 1 3 3 ILE HD13 H 1 0.969 0.020 . 1 . . . . A 3 ILE HD13 . 17613 1 29 . 1 . 1 3 3 ILE C C 13 173.405 0.400 . 1 . . . . A 3 ILE C . 17613 1 30 . 1 . 1 3 3 ILE CA C 13 59.556 0.400 . 1 . . . . A 3 ILE CA . 17613 1 31 . 1 . 1 3 3 ILE CB C 13 40.508 0.400 . 1 . . . . A 3 ILE CB . 17613 1 32 . 1 . 1 3 3 ILE CG1 C 13 27.378 0.400 . 1 . . . . A 3 ILE CG1 . 17613 1 33 . 1 . 1 3 3 ILE CG2 C 13 17.852 0.400 . 1 . . . . A 3 ILE CG2 . 17613 1 34 . 1 . 1 3 3 ILE CD1 C 13 13.477 0.400 . 1 . . . . A 3 ILE CD1 . 17613 1 35 . 1 . 1 4 4 LEU H H 1 9.081 0.020 . 1 . . . . A 4 LEU H . 17613 1 36 . 1 . 1 4 4 LEU HA H 1 5.459 0.020 . 1 . . . . A 4 LEU HA . 17613 1 37 . 1 . 1 4 4 LEU HB2 H 1 1.437 0.020 . 1 . . . . A 4 LEU HB2 . 17613 1 38 . 1 . 1 4 4 LEU HB3 H 1 1.437 0.020 . 1 . . . . A 4 LEU HB3 . 17613 1 39 . 1 . 1 4 4 LEU HG H 1 1.451 0.020 . 1 . . . . A 4 LEU HG . 17613 1 40 . 1 . 1 4 4 LEU HD11 H 1 0.642 0.020 . 2 . . . . A 4 LEU HD11 . 17613 1 41 . 1 . 1 4 4 LEU HD12 H 1 0.642 0.020 . 2 . . . . A 4 LEU HD12 . 17613 1 42 . 1 . 1 4 4 LEU HD13 H 1 0.642 0.020 . 2 . . . . A 4 LEU HD13 . 17613 1 43 . 1 . 1 4 4 LEU HD21 H 1 0.678 0.020 . 2 . . . . A 4 LEU HD21 . 17613 1 44 . 1 . 1 4 4 LEU HD22 H 1 0.678 0.020 . 2 . . . . A 4 LEU HD22 . 17613 1 45 . 1 . 1 4 4 LEU HD23 H 1 0.678 0.020 . 2 . . . . A 4 LEU HD23 . 17613 1 46 . 1 . 1 4 4 LEU C C 13 174.832 0.400 . 1 . . . . A 4 LEU C . 17613 1 47 . 1 . 1 4 4 LEU CA C 13 53.341 0.400 . 1 . . . . A 4 LEU CA . 17613 1 48 . 1 . 1 4 4 LEU CB C 13 45.313 0.400 . 1 . . . . A 4 LEU CB . 17613 1 49 . 1 . 1 4 4 LEU CG C 13 28.192 0.400 . 1 . . . . A 4 LEU CG . 17613 1 50 . 1 . 1 4 4 LEU CD1 C 13 25.457 0.400 . 1 . . . . A 4 LEU CD1 . 17613 1 51 . 1 . 1 4 4 LEU CD2 C 13 25.983 0.400 . 1 . . . . A 4 LEU CD2 . 17613 1 52 . 1 . 1 4 4 LEU N N 15 127.785 0.400 . 1 . . . . A 4 LEU N . 17613 1 53 . 1 . 1 5 5 ILE H H 1 8.765 0.020 . 1 . . . . A 5 ILE H . 17613 1 54 . 1 . 1 5 5 ILE HA H 1 4.833 0.020 . 1 . . . . A 5 ILE HA . 17613 1 55 . 1 . 1 5 5 ILE HB H 1 1.646 0.020 . 1 . . . . A 5 ILE HB . 17613 1 56 . 1 . 1 5 5 ILE HG12 H 1 1.807 0.020 . 2 . . . . A 5 ILE HG12 . 17613 1 57 . 1 . 1 5 5 ILE HG13 H 1 0.846 0.020 . 2 . . . . A 5 ILE HG13 . 17613 1 58 . 1 . 1 5 5 ILE HG21 H 1 0.841 0.020 . 1 . . . . A 5 ILE HG21 . 17613 1 59 . 1 . 1 5 5 ILE HG22 H 1 0.841 0.020 . 1 . . . . A 5 ILE HG22 . 17613 1 60 . 1 . 1 5 5 ILE HG23 H 1 0.841 0.020 . 1 . . . . A 5 ILE HG23 . 17613 1 61 . 1 . 1 5 5 ILE HD11 H 1 0.624 0.020 . 1 . . . . A 5 ILE HD11 . 17613 1 62 . 1 . 1 5 5 ILE HD12 H 1 0.624 0.020 . 1 . . . . A 5 ILE HD12 . 17613 1 63 . 1 . 1 5 5 ILE HD13 H 1 0.624 0.020 . 1 . . . . A 5 ILE HD13 . 17613 1 64 . 1 . 1 5 5 ILE C C 13 173.357 0.400 . 1 . . . . A 5 ILE C . 17613 1 65 . 1 . 1 5 5 ILE CA C 13 60.544 0.400 . 1 . . . . A 5 ILE CA . 17613 1 66 . 1 . 1 5 5 ILE CB C 13 39.532 0.400 . 1 . . . . A 5 ILE CB . 17613 1 67 . 1 . 1 5 5 ILE CG1 C 13 27.650 0.400 . 1 . . . . A 5 ILE CG1 . 17613 1 68 . 1 . 1 5 5 ILE CG2 C 13 17.116 0.400 . 1 . . . . A 5 ILE CG2 . 17613 1 69 . 1 . 1 5 5 ILE CD1 C 13 13.410 0.400 . 1 . . . . A 5 ILE CD1 . 17613 1 70 . 1 . 1 5 5 ILE N N 15 123.010 0.400 . 1 . . . . A 5 ILE N . 17613 1 71 . 1 . 1 6 6 LEU H H 1 9.235 0.020 . 1 . . . . A 6 LEU H . 17613 1 72 . 1 . 1 6 6 LEU HA H 1 5.346 0.020 . 1 . . . . A 6 LEU HA . 17613 1 73 . 1 . 1 6 6 LEU HB2 H 1 1.508 0.020 . 2 . . . . A 6 LEU HB2 . 17613 1 74 . 1 . 1 6 6 LEU HB3 H 1 1.458 0.020 . 2 . . . . A 6 LEU HB3 . 17613 1 75 . 1 . 1 6 6 LEU HG H 1 1.520 0.020 . 1 . . . . A 6 LEU HG . 17613 1 76 . 1 . 1 6 6 LEU HD11 H 1 0.715 0.020 . 2 . . . . A 6 LEU HD11 . 17613 1 77 . 1 . 1 6 6 LEU HD12 H 1 0.715 0.020 . 2 . . . . A 6 LEU HD12 . 17613 1 78 . 1 . 1 6 6 LEU HD13 H 1 0.715 0.020 . 2 . . . . A 6 LEU HD13 . 17613 1 79 . 1 . 1 6 6 LEU HD21 H 1 0.735 0.020 . 2 . . . . A 6 LEU HD21 . 17613 1 80 . 1 . 1 6 6 LEU HD22 H 1 0.735 0.020 . 2 . . . . A 6 LEU HD22 . 17613 1 81 . 1 . 1 6 6 LEU HD23 H 1 0.735 0.020 . 2 . . . . A 6 LEU HD23 . 17613 1 82 . 1 . 1 6 6 LEU C C 13 174.795 0.400 . 1 . . . . A 6 LEU C . 17613 1 83 . 1 . 1 6 6 LEU CA C 13 53.000 0.400 . 1 . . . . A 6 LEU CA . 17613 1 84 . 1 . 1 6 6 LEU CB C 13 44.528 0.400 . 1 . . . . A 6 LEU CB . 17613 1 85 . 1 . 1 6 6 LEU CG C 13 27.906 0.400 . 1 . . . . A 6 LEU CG . 17613 1 86 . 1 . 1 6 6 LEU CD1 C 13 25.511 0.400 . 1 . . . . A 6 LEU CD1 . 17613 1 87 . 1 . 1 6 6 LEU CD2 C 13 25.367 0.400 . 1 . . . . A 6 LEU CD2 . 17613 1 88 . 1 . 1 6 6 LEU N N 15 129.320 0.400 . 1 . . . . A 6 LEU N . 17613 1 89 . 1 . 1 7 7 ILE H H 1 8.931 0.020 . 1 . . . . A 7 ILE H . 17613 1 90 . 1 . 1 7 7 ILE HA H 1 5.181 0.020 . 1 . . . . A 7 ILE HA . 17613 1 91 . 1 . 1 7 7 ILE HB H 1 1.892 0.020 . 1 . . . . A 7 ILE HB . 17613 1 92 . 1 . 1 7 7 ILE HG12 H 1 1.459 0.020 . 2 . . . . A 7 ILE HG12 . 17613 1 93 . 1 . 1 7 7 ILE HG13 H 1 1.253 0.020 . 2 . . . . A 7 ILE HG13 . 17613 1 94 . 1 . 1 7 7 ILE HG21 H 1 0.744 0.020 . 1 . . . . A 7 ILE HG21 . 17613 1 95 . 1 . 1 7 7 ILE HG22 H 1 0.744 0.020 . 1 . . . . A 7 ILE HG22 . 17613 1 96 . 1 . 1 7 7 ILE HG23 H 1 0.744 0.020 . 1 . . . . A 7 ILE HG23 . 17613 1 97 . 1 . 1 7 7 ILE HD11 H 1 0.767 0.020 . 1 . . . . A 7 ILE HD11 . 17613 1 98 . 1 . 1 7 7 ILE HD12 H 1 0.767 0.020 . 1 . . . . A 7 ILE HD12 . 17613 1 99 . 1 . 1 7 7 ILE HD13 H 1 0.767 0.020 . 1 . . . . A 7 ILE HD13 . 17613 1 100 . 1 . 1 7 7 ILE C C 13 173.819 0.400 . 1 . . . . A 7 ILE C . 17613 1 101 . 1 . 1 7 7 ILE CA C 13 58.215 0.400 . 1 . . . . A 7 ILE CA . 17613 1 102 . 1 . 1 7 7 ILE CB C 13 40.154 0.400 . 1 . . . . A 7 ILE CB . 17613 1 103 . 1 . 1 7 7 ILE CG1 C 13 27.098 0.400 . 1 . . . . A 7 ILE CG1 . 17613 1 104 . 1 . 1 7 7 ILE CG2 C 13 16.613 0.400 . 1 . . . . A 7 ILE CG2 . 17613 1 105 . 1 . 1 7 7 ILE CD1 C 13 14.164 0.400 . 1 . . . . A 7 ILE CD1 . 17613 1 106 . 1 . 1 7 7 ILE N N 15 120.746 0.400 . 1 . . . . A 7 ILE N . 17613 1 107 . 1 . 1 8 8 ASN H H 1 8.634 0.020 . 1 . . . . A 8 ASN H . 17613 1 108 . 1 . 1 8 8 ASN HA H 1 5.902 0.020 . 1 . . . . A 8 ASN HA . 17613 1 109 . 1 . 1 8 8 ASN HB2 H 1 2.891 0.020 . 2 . . . . A 8 ASN HB2 . 17613 1 110 . 1 . 1 8 8 ASN HB3 H 1 2.273 0.020 . 2 . . . . A 8 ASN HB3 . 17613 1 111 . 1 . 1 8 8 ASN HD21 H 1 7.368 0.020 . 2 . . . . A 8 ASN HD21 . 17613 1 112 . 1 . 1 8 8 ASN HD22 H 1 6.251 0.020 . 2 . . . . A 8 ASN HD22 . 17613 1 113 . 1 . 1 8 8 ASN C C 13 176.478 0.400 . 1 . . . . A 8 ASN C . 17613 1 114 . 1 . 1 8 8 ASN CA C 13 51.104 0.400 . 1 . . . . A 8 ASN CA . 17613 1 115 . 1 . 1 8 8 ASN CB C 13 42.582 0.400 . 1 . . . . A 8 ASN CB . 17613 1 116 . 1 . 1 8 8 ASN N N 15 125.539 0.400 . 1 . . . . A 8 ASN N . 17613 1 117 . 1 . 1 8 8 ASN ND2 N 15 107.513 0.400 . 1 . . . . A 8 ASN ND2 . 17613 1 118 . 1 . 1 9 9 THR H H 1 8.044 0.020 . 1 . . . . A 9 THR H . 17613 1 119 . 1 . 1 9 9 THR HA H 1 4.739 0.020 . 1 . . . . A 9 THR HA . 17613 1 120 . 1 . 1 9 9 THR HB H 1 4.321 0.020 . 1 . . . . A 9 THR HB . 17613 1 121 . 1 . 1 9 9 THR HG1 H 1 6.178 0.020 . 1 . . . . A 9 THR HG1 . 17613 1 122 . 1 . 1 9 9 THR HG21 H 1 0.863 0.020 . 1 . . . . A 9 THR HG21 . 17613 1 123 . 1 . 1 9 9 THR HG22 H 1 0.863 0.020 . 1 . . . . A 9 THR HG22 . 17613 1 124 . 1 . 1 9 9 THR HG23 H 1 0.863 0.020 . 1 . . . . A 9 THR HG23 . 17613 1 125 . 1 . 1 9 9 THR C C 13 170.114 0.400 . 1 . . . . A 9 THR C . 17613 1 126 . 1 . 1 9 9 THR CA C 13 60.689 0.400 . 1 . . . . A 9 THR CA . 17613 1 127 . 1 . 1 9 9 THR CB C 13 67.766 0.400 . 1 . . . . A 9 THR CB . 17613 1 128 . 1 . 1 9 9 THR CG2 C 13 19.209 0.400 . 1 . . . . A 9 THR CG2 . 17613 1 129 . 1 . 1 9 9 THR N N 15 118.493 0.400 . 1 . . . . A 9 THR N . 17613 1 130 . 1 . 1 10 10 ASN H H 1 8.440 0.020 . 1 . . . . A 10 ASN H . 17613 1 131 . 1 . 1 10 10 ASN HA H 1 4.967 0.020 . 1 . . . . A 10 ASN HA . 17613 1 132 . 1 . 1 10 10 ASN HB2 H 1 2.906 0.020 . 2 . . . . A 10 ASN HB2 . 17613 1 133 . 1 . 1 10 10 ASN HB3 H 1 2.817 0.020 . 2 . . . . A 10 ASN HB3 . 17613 1 134 . 1 . 1 10 10 ASN HD21 H 1 7.641 0.020 . 2 . . . . A 10 ASN HD21 . 17613 1 135 . 1 . 1 10 10 ASN HD22 H 1 6.927 0.020 . 2 . . . . A 10 ASN HD22 . 17613 1 136 . 1 . 1 10 10 ASN C C 13 174.601 0.400 . 1 . . . . A 10 ASN C . 17613 1 137 . 1 . 1 10 10 ASN CA C 13 51.844 0.400 . 1 . . . . A 10 ASN CA . 17613 1 138 . 1 . 1 10 10 ASN CB C 13 39.316 0.400 . 1 . . . . A 10 ASN CB . 17613 1 139 . 1 . 1 10 10 ASN N N 15 123.266 0.400 . 1 . . . . A 10 ASN N . 17613 1 140 . 1 . 1 10 10 ASN ND2 N 15 111.462 0.400 . 1 . . . . A 10 ASN ND2 . 17613 1 141 . 1 . 1 11 11 ASN H H 1 8.366 0.020 . 1 . . . . A 11 ASN H . 17613 1 142 . 1 . 1 11 11 ASN HA H 1 4.693 0.020 . 1 . . . . A 11 ASN HA . 17613 1 143 . 1 . 1 11 11 ASN HB2 H 1 3.027 0.020 . 2 . . . . A 11 ASN HB2 . 17613 1 144 . 1 . 1 11 11 ASN HB3 H 1 2.744 0.020 . 2 . . . . A 11 ASN HB3 . 17613 1 145 . 1 . 1 11 11 ASN HD21 H 1 7.334 0.020 . 1 . . . . A 11 ASN HD21 . 17613 1 146 . 1 . 1 11 11 ASN HD22 H 1 7.335 0.020 . 1 . . . . A 11 ASN HD22 . 17613 1 147 . 1 . 1 11 11 ASN C C 13 174.333 0.400 . 1 . . . . A 11 ASN C . 17613 1 148 . 1 . 1 11 11 ASN CA C 13 52.436 0.400 . 1 . . . . A 11 ASN CA . 17613 1 149 . 1 . 1 11 11 ASN CB C 13 38.349 0.400 . 1 . . . . A 11 ASN CB . 17613 1 150 . 1 . 1 11 11 ASN N N 15 120.920 0.400 . 1 . . . . A 11 ASN N . 17613 1 151 . 1 . 1 11 11 ASN ND2 N 15 114.074 0.400 . 1 . . . . A 11 ASN ND2 . 17613 1 152 . 1 . 1 12 12 ASP H H 1 8.586 0.020 . 1 . . . . A 12 ASP H . 17613 1 153 . 1 . 1 12 12 ASP HA H 1 4.273 0.020 . 1 . . . . A 12 ASP HA . 17613 1 154 . 1 . 1 12 12 ASP HB2 H 1 2.642 0.020 . 1 . . . . A 12 ASP HB2 . 17613 1 155 . 1 . 1 12 12 ASP HB3 H 1 2.642 0.020 . 1 . . . . A 12 ASP HB3 . 17613 1 156 . 1 . 1 12 12 ASP C C 13 178.089 0.400 . 1 . . . . A 12 ASP C . 17613 1 157 . 1 . 1 12 12 ASP CA C 13 57.608 0.400 . 1 . . . . A 12 ASP CA . 17613 1 158 . 1 . 1 12 12 ASP CB C 13 41.161 0.400 . 1 . . . . A 12 ASP CB . 17613 1 159 . 1 . 1 12 12 ASP N N 15 126.315 0.400 . 1 . . . . A 12 ASP N . 17613 1 160 . 1 . 1 13 13 GLU H H 1 8.289 0.020 . 1 . . . . A 13 GLU H . 17613 1 161 . 1 . 1 13 13 GLU HA H 1 4.026 0.020 . 1 . . . . A 13 GLU HA . 17613 1 162 . 1 . 1 13 13 GLU HB2 H 1 2.064 0.020 . 2 . . . . A 13 GLU HB2 . 17613 1 163 . 1 . 1 13 13 GLU HB3 H 1 2.160 0.020 . 2 . . . . A 13 GLU HB3 . 17613 1 164 . 1 . 1 13 13 GLU HG2 H 1 2.361 0.020 . 2 . . . . A 13 GLU HG2 . 17613 1 165 . 1 . 1 13 13 GLU HG3 H 1 2.310 0.020 . 2 . . . . A 13 GLU HG3 . 17613 1 166 . 1 . 1 13 13 GLU C C 13 178.893 0.400 . 1 . . . . A 13 GLU C . 17613 1 167 . 1 . 1 13 13 GLU CA C 13 59.006 0.400 . 1 . . . . A 13 GLU CA . 17613 1 168 . 1 . 1 13 13 GLU CB C 13 28.709 0.400 . 1 . . . . A 13 GLU CB . 17613 1 169 . 1 . 1 13 13 GLU CG C 13 36.010 0.400 . 1 . . . . A 13 GLU CG . 17613 1 170 . 1 . 1 13 13 GLU N N 15 119.325 0.400 . 1 . . . . A 13 GLU N . 17613 1 171 . 1 . 1 14 14 LEU H H 1 7.577 0.020 . 1 . . . . A 14 LEU H . 17613 1 172 . 1 . 1 14 14 LEU HA H 1 3.985 0.020 . 1 . . . . A 14 LEU HA . 17613 1 173 . 1 . 1 14 14 LEU HB2 H 1 1.823 0.020 . 2 . . . . A 14 LEU HB2 . 17613 1 174 . 1 . 1 14 14 LEU HB3 H 1 1.498 0.020 . 2 . . . . A 14 LEU HB3 . 17613 1 175 . 1 . 1 14 14 LEU HG H 1 1.378 0.020 . 1 . . . . A 14 LEU HG . 17613 1 176 . 1 . 1 14 14 LEU HD11 H 1 0.859 0.020 . 2 . . . . A 14 LEU HD11 . 17613 1 177 . 1 . 1 14 14 LEU HD12 H 1 0.859 0.020 . 2 . . . . A 14 LEU HD12 . 17613 1 178 . 1 . 1 14 14 LEU HD13 H 1 0.859 0.020 . 2 . . . . A 14 LEU HD13 . 17613 1 179 . 1 . 1 14 14 LEU HD21 H 1 0.763 0.020 . 2 . . . . A 14 LEU HD21 . 17613 1 180 . 1 . 1 14 14 LEU HD22 H 1 0.763 0.020 . 2 . . . . A 14 LEU HD22 . 17613 1 181 . 1 . 1 14 14 LEU HD23 H 1 0.763 0.020 . 2 . . . . A 14 LEU HD23 . 17613 1 182 . 1 . 1 14 14 LEU C C 13 178.309 0.400 . 1 . . . . A 14 LEU C . 17613 1 183 . 1 . 1 14 14 LEU CA C 13 57.261 0.400 . 1 . . . . A 14 LEU CA . 17613 1 184 . 1 . 1 14 14 LEU CB C 13 40.105 0.400 . 1 . . . . A 14 LEU CB . 17613 1 185 . 1 . 1 14 14 LEU CG C 13 27.050 0.400 . 1 . . . . A 14 LEU CG . 17613 1 186 . 1 . 1 14 14 LEU CD1 C 13 22.485 0.400 . 1 . . . . A 14 LEU CD1 . 17613 1 187 . 1 . 1 14 14 LEU CD2 C 13 24.529 0.400 . 1 . . . . A 14 LEU CD2 . 17613 1 188 . 1 . 1 14 14 LEU N N 15 121.683 0.400 . 1 . . . . A 14 LEU N . 17613 1 189 . 1 . 1 15 15 ILE H H 1 8.238 0.020 . 1 . . . . A 15 ILE H . 17613 1 190 . 1 . 1 15 15 ILE HA H 1 3.219 0.020 . 1 . . . . A 15 ILE HA . 17613 1 191 . 1 . 1 15 15 ILE HB H 1 1.915 0.020 . 1 . . . . A 15 ILE HB . 17613 1 192 . 1 . 1 15 15 ILE HG12 H 1 1.726 0.020 . 2 . . . . A 15 ILE HG12 . 17613 1 193 . 1 . 1 15 15 ILE HG13 H 1 0.636 0.020 . 2 . . . . A 15 ILE HG13 . 17613 1 194 . 1 . 1 15 15 ILE HG21 H 1 0.847 0.020 . 1 . . . . A 15 ILE HG21 . 17613 1 195 . 1 . 1 15 15 ILE HG22 H 1 0.847 0.020 . 1 . . . . A 15 ILE HG22 . 17613 1 196 . 1 . 1 15 15 ILE HG23 H 1 0.847 0.020 . 1 . . . . A 15 ILE HG23 . 17613 1 197 . 1 . 1 15 15 ILE HD11 H 1 0.764 0.020 . 1 . . . . A 15 ILE HD11 . 17613 1 198 . 1 . 1 15 15 ILE HD12 H 1 0.764 0.020 . 1 . . . . A 15 ILE HD12 . 17613 1 199 . 1 . 1 15 15 ILE HD13 H 1 0.764 0.020 . 1 . . . . A 15 ILE HD13 . 17613 1 200 . 1 . 1 15 15 ILE C C 13 177.138 0.400 . 1 . . . . A 15 ILE C . 17613 1 201 . 1 . 1 15 15 ILE CA C 13 66.590 0.400 . 1 . . . . A 15 ILE CA . 17613 1 202 . 1 . 1 15 15 ILE CB C 13 37.424 0.400 . 1 . . . . A 15 ILE CB . 17613 1 203 . 1 . 1 15 15 ILE CG1 C 13 30.331 0.400 . 1 . . . . A 15 ILE CG1 . 17613 1 204 . 1 . 1 15 15 ILE CG2 C 13 17.078 0.400 . 1 . . . . A 15 ILE CG2 . 17613 1 205 . 1 . 1 15 15 ILE CD1 C 13 13.066 0.400 . 1 . . . . A 15 ILE CD1 . 17613 1 206 . 1 . 1 15 15 ILE N N 15 119.483 0.400 . 1 . . . . A 15 ILE N . 17613 1 207 . 1 . 1 16 16 LYS H H 1 7.604 0.020 . 1 . . . . A 16 LYS H . 17613 1 208 . 1 . 1 16 16 LYS HA H 1 3.843 0.020 . 1 . . . . A 16 LYS HA . 17613 1 209 . 1 . 1 16 16 LYS HB2 H 1 1.880 0.020 . 1 . . . . A 16 LYS HB2 . 17613 1 210 . 1 . 1 16 16 LYS HB3 H 1 1.881 0.020 . 1 . . . . A 16 LYS HB3 . 17613 1 211 . 1 . 1 16 16 LYS HG2 H 1 1.627 0.020 . 2 . . . . A 16 LYS HG2 . 17613 1 212 . 1 . 1 16 16 LYS HG3 H 1 1.396 0.020 . 2 . . . . A 16 LYS HG3 . 17613 1 213 . 1 . 1 16 16 LYS HD2 H 1 1.685 0.020 . 2 . . . . A 16 LYS HD2 . 17613 1 214 . 1 . 1 16 16 LYS HD3 H 1 1.688 0.020 . 2 . . . . A 16 LYS HD3 . 17613 1 215 . 1 . 1 16 16 LYS HE2 H 1 2.910 0.020 . 1 . . . . A 16 LYS HE2 . 17613 1 216 . 1 . 1 16 16 LYS HE3 H 1 2.910 0.020 . 1 . . . . A 16 LYS HE3 . 17613 1 217 . 1 . 1 16 16 LYS C C 13 179.577 0.400 . 1 . . . . A 16 LYS C . 17613 1 218 . 1 . 1 16 16 LYS CA C 13 60.169 0.400 . 1 . . . . A 16 LYS CA . 17613 1 219 . 1 . 1 16 16 LYS CB C 13 32.164 0.400 . 1 . . . . A 16 LYS CB . 17613 1 220 . 1 . 1 16 16 LYS CG C 13 25.305 0.400 . 1 . . . . A 16 LYS CG . 17613 1 221 . 1 . 1 16 16 LYS CD C 13 29.236 0.400 . 1 . . . . A 16 LYS CD . 17613 1 222 . 1 . 1 16 16 LYS CE C 13 41.780 0.400 . 1 . . . . A 16 LYS CE . 17613 1 223 . 1 . 1 16 16 LYS N N 15 117.596 0.400 . 1 . . . . A 16 LYS N . 17613 1 224 . 1 . 1 17 17 LYS H H 1 7.583 0.020 . 1 . . . . A 17 LYS H . 17613 1 225 . 1 . 1 17 17 LYS HA H 1 3.992 0.020 . 1 . . . . A 17 LYS HA . 17613 1 226 . 1 . 1 17 17 LYS HB2 H 1 1.993 0.020 . 2 . . . . A 17 LYS HB2 . 17613 1 227 . 1 . 1 17 17 LYS HB3 H 1 1.922 0.020 . 2 . . . . A 17 LYS HB3 . 17613 1 228 . 1 . 1 17 17 LYS HG2 H 1 1.755 0.020 . 2 . . . . A 17 LYS HG2 . 17613 1 229 . 1 . 1 17 17 LYS HG3 H 1 1.429 0.020 . 2 . . . . A 17 LYS HG3 . 17613 1 230 . 1 . 1 17 17 LYS HD2 H 1 1.680 0.020 . 2 . . . . A 17 LYS HD2 . 17613 1 231 . 1 . 1 17 17 LYS HD3 H 1 1.517 0.020 . 2 . . . . A 17 LYS HD3 . 17613 1 232 . 1 . 1 17 17 LYS HE2 H 1 2.848 0.020 . 2 . . . . A 17 LYS HE2 . 17613 1 233 . 1 . 1 17 17 LYS HE3 H 1 2.900 0.020 . 2 . . . . A 17 LYS HE3 . 17613 1 234 . 1 . 1 17 17 LYS C C 13 179.380 0.400 . 1 . . . . A 17 LYS C . 17613 1 235 . 1 . 1 17 17 LYS CA C 13 59.840 0.400 . 1 . . . . A 17 LYS CA . 17613 1 236 . 1 . 1 17 17 LYS CB C 13 33.065 0.400 . 1 . . . . A 17 LYS CB . 17613 1 237 . 1 . 1 17 17 LYS CG C 13 25.822 0.400 . 1 . . . . A 17 LYS CG . 17613 1 238 . 1 . 1 17 17 LYS CD C 13 29.705 0.400 . 1 . . . . A 17 LYS CD . 17613 1 239 . 1 . 1 17 17 LYS CE C 13 41.780 0.400 . 1 . . . . A 17 LYS CE . 17613 1 240 . 1 . 1 17 17 LYS N N 15 118.832 0.400 . 1 . . . . A 17 LYS N . 17613 1 241 . 1 . 1 18 18 ILE H H 1 8.785 0.020 . 1 . . . . A 18 ILE H . 17613 1 242 . 1 . 1 18 18 ILE HA H 1 3.372 0.020 . 1 . . . . A 18 ILE HA . 17613 1 243 . 1 . 1 18 18 ILE HB H 1 1.821 0.020 . 1 . . . . A 18 ILE HB . 17613 1 244 . 1 . 1 18 18 ILE HG12 H 1 1.765 0.020 . 2 . . . . A 18 ILE HG12 . 17613 1 245 . 1 . 1 18 18 ILE HG13 H 1 0.729 0.020 . 2 . . . . A 18 ILE HG13 . 17613 1 246 . 1 . 1 18 18 ILE HG21 H 1 0.718 0.020 . 1 . . . . A 18 ILE HG21 . 17613 1 247 . 1 . 1 18 18 ILE HG22 H 1 0.718 0.020 . 1 . . . . A 18 ILE HG22 . 17613 1 248 . 1 . 1 18 18 ILE HG23 H 1 0.718 0.020 . 1 . . . . A 18 ILE HG23 . 17613 1 249 . 1 . 1 18 18 ILE HD11 H 1 0.613 0.020 . 1 . . . . A 18 ILE HD11 . 17613 1 250 . 1 . 1 18 18 ILE HD12 H 1 0.613 0.020 . 1 . . . . A 18 ILE HD12 . 17613 1 251 . 1 . 1 18 18 ILE HD13 H 1 0.613 0.020 . 1 . . . . A 18 ILE HD13 . 17613 1 252 . 1 . 1 18 18 ILE C C 13 176.967 0.400 . 1 . . . . A 18 ILE C . 17613 1 253 . 1 . 1 18 18 ILE CA C 13 65.474 0.400 . 1 . . . . A 18 ILE CA . 17613 1 254 . 1 . 1 18 18 ILE CB C 13 37.556 0.400 . 1 . . . . A 18 ILE CB . 17613 1 255 . 1 . 1 18 18 ILE CG1 C 13 29.494 0.400 . 1 . . . . A 18 ILE CG1 . 17613 1 256 . 1 . 1 18 18 ILE CG2 C 13 17.360 0.400 . 1 . . . . A 18 ILE CG2 . 17613 1 257 . 1 . 1 18 18 ILE CD1 C 13 13.410 0.400 . 1 . . . . A 18 ILE CD1 . 17613 1 258 . 1 . 1 18 18 ILE N N 15 120.961 0.400 . 1 . . . . A 18 ILE N . 17613 1 259 . 1 . 1 19 19 LYS H H 1 8.532 0.020 . 1 . . . . A 19 LYS H . 17613 1 260 . 1 . 1 19 19 LYS HA H 1 3.680 0.020 . 1 . . . . A 19 LYS HA . 17613 1 261 . 1 . 1 19 19 LYS HB2 H 1 1.788 0.020 . 2 . . . . A 19 LYS HB2 . 17613 1 262 . 1 . 1 19 19 LYS HB3 H 1 1.834 0.020 . 2 . . . . A 19 LYS HB3 . 17613 1 263 . 1 . 1 19 19 LYS HG2 H 1 1.098 0.020 . 2 . . . . A 19 LYS HG2 . 17613 1 264 . 1 . 1 19 19 LYS HG3 H 1 1.596 0.020 . 2 . . . . A 19 LYS HG3 . 17613 1 265 . 1 . 1 19 19 LYS HD2 H 1 1.594 0.020 . 1 . . . . A 19 LYS HD2 . 17613 1 266 . 1 . 1 19 19 LYS HD3 H 1 1.594 0.020 . 1 . . . . A 19 LYS HD3 . 17613 1 267 . 1 . 1 19 19 LYS HE2 H 1 2.699 0.020 . 1 . . . . A 19 LYS HE2 . 17613 1 268 . 1 . 1 19 19 LYS HE3 H 1 2.699 0.020 . 1 . . . . A 19 LYS HE3 . 17613 1 269 . 1 . 1 19 19 LYS C C 13 177.746 0.400 . 1 . . . . A 19 LYS C . 17613 1 270 . 1 . 1 19 19 LYS CA C 13 60.853 0.400 . 1 . . . . A 19 LYS CA . 17613 1 271 . 1 . 1 19 19 LYS CB C 13 32.326 0.400 . 1 . . . . A 19 LYS CB . 17613 1 272 . 1 . 1 19 19 LYS CG C 13 27.091 0.400 . 1 . . . . A 19 LYS CG . 17613 1 273 . 1 . 1 19 19 LYS CD C 13 29.871 0.400 . 1 . . . . A 19 LYS CD . 17613 1 274 . 1 . 1 19 19 LYS CE C 13 41.780 0.400 . 1 . . . . A 19 LYS CE . 17613 1 275 . 1 . 1 19 19 LYS N N 15 118.324 0.400 . 1 . . . . A 19 LYS N . 17613 1 276 . 1 . 1 20 20 LYS H H 1 7.303 0.020 . 1 . . . . A 20 LYS H . 17613 1 277 . 1 . 1 20 20 LYS HA H 1 4.087 0.020 . 1 . . . . A 20 LYS HA . 17613 1 278 . 1 . 1 20 20 LYS HB2 H 1 1.890 0.020 . 1 . . . . A 20 LYS HB2 . 17613 1 279 . 1 . 1 20 20 LYS HB3 H 1 1.890 0.020 . 1 . . . . A 20 LYS HB3 . 17613 1 280 . 1 . 1 20 20 LYS HG2 H 1 1.506 0.020 . 2 . . . . A 20 LYS HG2 . 17613 1 281 . 1 . 1 20 20 LYS HG3 H 1 1.476 0.020 . 2 . . . . A 20 LYS HG3 . 17613 1 282 . 1 . 1 20 20 LYS HD2 H 1 1.687 0.020 . 1 . . . . A 20 LYS HD2 . 17613 1 283 . 1 . 1 20 20 LYS HD3 H 1 1.686 0.020 . 1 . . . . A 20 LYS HD3 . 17613 1 284 . 1 . 1 20 20 LYS HE2 H 1 2.964 0.020 . 1 . . . . A 20 LYS HE2 . 17613 1 285 . 1 . 1 20 20 LYS HE3 H 1 2.964 0.020 . 1 . . . . A 20 LYS HE3 . 17613 1 286 . 1 . 1 20 20 LYS C C 13 178.406 0.400 . 1 . . . . A 20 LYS C . 17613 1 287 . 1 . 1 20 20 LYS CA C 13 58.539 0.400 . 1 . . . . A 20 LYS CA . 17613 1 288 . 1 . 1 20 20 LYS CB C 13 31.981 0.400 . 1 . . . . A 20 LYS CB . 17613 1 289 . 1 . 1 20 20 LYS CG C 13 24.444 0.400 . 1 . . . . A 20 LYS CG . 17613 1 290 . 1 . 1 20 20 LYS CD C 13 28.780 0.400 . 1 . . . . A 20 LYS CD . 17613 1 291 . 1 . 1 20 20 LYS CE C 13 41.780 0.400 . 1 . . . . A 20 LYS CE . 17613 1 292 . 1 . 1 20 20 LYS N N 15 116.284 0.400 . 1 . . . . A 20 LYS N . 17613 1 293 . 1 . 1 21 21 GLU H H 1 7.665 0.020 . 1 . . . . A 21 GLU H . 17613 1 294 . 1 . 1 21 21 GLU HA H 1 3.963 0.020 . 1 . . . . A 21 GLU HA . 17613 1 295 . 1 . 1 21 21 GLU HB2 H 1 2.116 0.020 . 2 . . . . A 21 GLU HB2 . 17613 1 296 . 1 . 1 21 21 GLU HB3 H 1 1.973 0.020 . 2 . . . . A 21 GLU HB3 . 17613 1 297 . 1 . 1 21 21 GLU HG2 H 1 2.106 0.020 . 2 . . . . A 21 GLU HG2 . 17613 1 298 . 1 . 1 21 21 GLU HG3 H 1 2.104 0.020 . 2 . . . . A 21 GLU HG3 . 17613 1 299 . 1 . 1 21 21 GLU C C 13 179.088 0.400 . 1 . . . . A 21 GLU C . 17613 1 300 . 1 . 1 21 21 GLU CA C 13 58.894 0.400 . 1 . . . . A 21 GLU CA . 17613 1 301 . 1 . 1 21 21 GLU CB C 13 29.434 0.400 . 1 . . . . A 21 GLU CB . 17613 1 302 . 1 . 1 21 21 GLU CG C 13 35.314 0.400 . 1 . . . . A 21 GLU CG . 17613 1 303 . 1 . 1 21 21 GLU N N 15 118.488 0.400 . 1 . . . . A 21 GLU N . 17613 1 304 . 1 . 1 22 22 VAL H H 1 8.037 0.020 . 1 . . . . A 22 VAL H . 17613 1 305 . 1 . 1 22 22 VAL HA H 1 4.132 0.020 . 1 . . . . A 22 VAL HA . 17613 1 306 . 1 . 1 22 22 VAL HB H 1 1.984 0.020 . 1 . . . . A 22 VAL HB . 17613 1 307 . 1 . 1 22 22 VAL HG11 H 1 0.638 0.020 . 2 . . . . A 22 VAL HG11 . 17613 1 308 . 1 . 1 22 22 VAL HG12 H 1 0.638 0.020 . 2 . . . . A 22 VAL HG12 . 17613 1 309 . 1 . 1 22 22 VAL HG13 H 1 0.638 0.020 . 2 . . . . A 22 VAL HG13 . 17613 1 310 . 1 . 1 22 22 VAL HG21 H 1 0.854 0.020 . 2 . . . . A 22 VAL HG21 . 17613 1 311 . 1 . 1 22 22 VAL HG22 H 1 0.854 0.020 . 2 . . . . A 22 VAL HG22 . 17613 1 312 . 1 . 1 22 22 VAL HG23 H 1 0.854 0.020 . 2 . . . . A 22 VAL HG23 . 17613 1 313 . 1 . 1 22 22 VAL CA C 13 62.799 0.400 . 1 . . . . A 22 VAL CA . 17613 1 314 . 1 . 1 22 22 VAL CB C 13 29.829 0.400 . 1 . . . . A 22 VAL CB . 17613 1 315 . 1 . 1 22 22 VAL CG1 C 13 20.110 0.400 . 1 . . . . A 22 VAL CG1 . 17613 1 316 . 1 . 1 22 22 VAL CG2 C 13 19.942 0.400 . 1 . . . . A 22 VAL CG2 . 17613 1 317 . 1 . 1 22 22 VAL N N 15 109.032 0.400 . 1 . . . . A 22 VAL N . 17613 1 318 . 1 . 1 24 24 ASN HA H 1 4.717 0.020 . 1 . . . . A 24 ASN HA . 17613 1 319 . 1 . 1 24 24 ASN HB2 H 1 2.967 0.020 . 1 . . . . A 24 ASN HB2 . 17613 1 320 . 1 . 1 24 24 ASN HB3 H 1 2.967 0.020 . 1 . . . . A 24 ASN HB3 . 17613 1 321 . 1 . 1 24 24 ASN HD21 H 1 7.693 0.020 . 2 . . . . A 24 ASN HD21 . 17613 1 322 . 1 . 1 24 24 ASN HD22 H 1 6.941 0.020 . 2 . . . . A 24 ASN HD22 . 17613 1 323 . 1 . 1 24 24 ASN CA C 13 58.808 0.400 . 1 . . . . A 24 ASN CA . 17613 1 324 . 1 . 1 24 24 ASN CB C 13 38.171 0.400 . 1 . . . . A 24 ASN CB . 17613 1 325 . 1 . 1 24 24 ASN ND2 N 15 112.830 0.400 . 1 . . . . A 24 ASN ND2 . 17613 1 326 . 1 . 1 25 25 GLN HA H 1 4.646 0.020 . 1 . . . . A 25 GLN HA . 17613 1 327 . 1 . 1 25 25 GLN HB2 H 1 2.021 0.020 . 2 . . . . A 25 GLN HB2 . 17613 1 328 . 1 . 1 25 25 GLN HB3 H 1 2.815 0.020 . 2 . . . . A 25 GLN HB3 . 17613 1 329 . 1 . 1 25 25 GLN HG2 H 1 2.383 0.020 . 2 . . . . A 25 GLN HG2 . 17613 1 330 . 1 . 1 25 25 GLN HG3 H 1 2.518 0.020 . 2 . . . . A 25 GLN HG3 . 17613 1 331 . 1 . 1 25 25 GLN HE21 H 1 7.563 0.020 . 2 . . . . A 25 GLN HE21 . 17613 1 332 . 1 . 1 25 25 GLN HE22 H 1 6.876 0.020 . 2 . . . . A 25 GLN HE22 . 17613 1 333 . 1 . 1 25 25 GLN C C 13 175.692 0.400 . 1 . . . . A 25 GLN C . 17613 1 334 . 1 . 1 25 25 GLN CB C 13 29.018 0.400 . 1 . . . . A 25 GLN CB . 17613 1 335 . 1 . 1 25 25 GLN CG C 13 33.393 0.400 . 1 . . . . A 25 GLN CG . 17613 1 336 . 1 . 1 25 25 GLN NE2 N 15 112.873 0.400 . 1 . . . . A 25 GLN NE2 . 17613 1 337 . 1 . 1 26 26 GLY H H 1 8.020 0.020 . 1 . . . . A 26 GLY H . 17613 1 338 . 1 . 1 26 26 GLY HA2 H 1 3.815 0.020 . 2 . . . . A 26 GLY HA2 . 17613 1 339 . 1 . 1 26 26 GLY HA3 H 1 4.126 0.020 . 2 . . . . A 26 GLY HA3 . 17613 1 340 . 1 . 1 26 26 GLY C C 13 174.382 0.400 . 1 . . . . A 26 GLY C . 17613 1 341 . 1 . 1 26 26 GLY CA C 13 45.957 0.400 . 1 . . . . A 26 GLY CA . 17613 1 342 . 1 . 1 26 26 GLY N N 15 106.368 0.400 . 1 . . . . A 26 GLY N . 17613 1 343 . 1 . 1 27 27 TYR H H 1 7.845 0.020 . 1 . . . . A 27 TYR H . 17613 1 344 . 1 . 1 27 27 TYR HA H 1 4.433 0.020 . 1 . . . . A 27 TYR HA . 17613 1 345 . 1 . 1 27 27 TYR HB2 H 1 2.663 0.020 . 2 . . . . A 27 TYR HB2 . 17613 1 346 . 1 . 1 27 27 TYR HB3 H 1 2.372 0.020 . 2 . . . . A 27 TYR HB3 . 17613 1 347 . 1 . 1 27 27 TYR HD1 H 1 6.787 0.020 . 1 . . . . A 27 TYR HD1 . 17613 1 348 . 1 . 1 27 27 TYR HD2 H 1 6.787 0.020 . 1 . . . . A 27 TYR HD2 . 17613 1 349 . 1 . 1 27 27 TYR HE1 H 1 6.586 0.020 . 1 . . . . A 27 TYR HE1 . 17613 1 350 . 1 . 1 27 27 TYR HE2 H 1 6.586 0.020 . 1 . . . . A 27 TYR HE2 . 17613 1 351 . 1 . 1 27 27 TYR C C 13 174.528 0.400 . 1 . . . . A 27 TYR C . 17613 1 352 . 1 . 1 27 27 TYR CA C 13 58.054 0.400 . 1 . . . . A 27 TYR CA . 17613 1 353 . 1 . 1 27 27 TYR CB C 13 39.005 0.400 . 1 . . . . A 27 TYR CB . 17613 1 354 . 1 . 1 27 27 TYR CD1 C 13 132.650 0.400 . 1 . . . . A 27 TYR CD1 . 17613 1 355 . 1 . 1 27 27 TYR CD2 C 13 132.816 0.400 . 1 . . . . A 27 TYR CD2 . 17613 1 356 . 1 . 1 27 27 TYR CE1 C 13 117.793 0.400 . 1 . . . . A 27 TYR CE1 . 17613 1 357 . 1 . 1 27 27 TYR CE2 C 13 117.910 0.400 . 1 . . . . A 27 TYR CE2 . 17613 1 358 . 1 . 1 27 27 TYR N N 15 119.082 0.400 . 1 . . . . A 27 TYR N . 17613 1 359 . 1 . 1 28 28 GLN H H 1 8.338 0.020 . 1 . . . . A 28 GLN H . 17613 1 360 . 1 . 1 28 28 GLN HA H 1 4.499 0.020 . 1 . . . . A 28 GLN HA . 17613 1 361 . 1 . 1 28 28 GLN HB2 H 1 2.062 0.020 . 2 . . . . A 28 GLN HB2 . 17613 1 362 . 1 . 1 28 28 GLN HB3 H 1 1.783 0.020 . 2 . . . . A 28 GLN HB3 . 17613 1 363 . 1 . 1 28 28 GLN HG2 H 1 2.239 0.020 . 2 . . . . A 28 GLN HG2 . 17613 1 364 . 1 . 1 28 28 GLN HG3 H 1 2.202 0.020 . 2 . . . . A 28 GLN HG3 . 17613 1 365 . 1 . 1 28 28 GLN HE21 H 1 7.522 0.020 . 2 . . . . A 28 GLN HE21 . 17613 1 366 . 1 . 1 28 28 GLN HE22 H 1 7.013 0.020 . 2 . . . . A 28 GLN HE22 . 17613 1 367 . 1 . 1 28 28 GLN C C 13 174.625 0.400 . 1 . . . . A 28 GLN C . 17613 1 368 . 1 . 1 28 28 GLN CA C 13 54.380 0.400 . 1 . . . . A 28 GLN CA . 17613 1 369 . 1 . 1 28 28 GLN CB C 13 30.455 0.400 . 1 . . . . A 28 GLN CB . 17613 1 370 . 1 . 1 28 28 GLN CG C 13 33.720 0.400 . 1 . . . . A 28 GLN CG . 17613 1 371 . 1 . 1 28 28 GLN N N 15 120.362 0.400 . 1 . . . . A 28 GLN N . 17613 1 372 . 1 . 1 28 28 GLN NE2 N 15 113.892 0.400 . 1 . . . . A 28 GLN NE2 . 17613 1 373 . 1 . 1 29 29 VAL H H 1 8.776 0.020 . 1 . . . . A 29 VAL H . 17613 1 374 . 1 . 1 29 29 VAL HA H 1 5.043 0.020 . 1 . . . . A 29 VAL HA . 17613 1 375 . 1 . 1 29 29 VAL HB H 1 1.953 0.020 . 1 . . . . A 29 VAL HB . 17613 1 376 . 1 . 1 29 29 VAL HG11 H 1 0.800 0.020 . 2 . . . . A 29 VAL HG11 . 17613 1 377 . 1 . 1 29 29 VAL HG12 H 1 0.800 0.020 . 2 . . . . A 29 VAL HG12 . 17613 1 378 . 1 . 1 29 29 VAL HG13 H 1 0.800 0.020 . 2 . . . . A 29 VAL HG13 . 17613 1 379 . 1 . 1 29 29 VAL HG21 H 1 0.896 0.020 . 2 . . . . A 29 VAL HG21 . 17613 1 380 . 1 . 1 29 29 VAL HG22 H 1 0.896 0.020 . 2 . . . . A 29 VAL HG22 . 17613 1 381 . 1 . 1 29 29 VAL HG23 H 1 0.896 0.020 . 2 . . . . A 29 VAL HG23 . 17613 1 382 . 1 . 1 29 29 VAL C C 13 175.820 0.400 . 1 . . . . A 29 VAL C . 17613 1 383 . 1 . 1 29 29 VAL CA C 13 61.488 0.400 . 1 . . . . A 29 VAL CA . 17613 1 384 . 1 . 1 29 29 VAL CB C 13 32.473 0.400 . 1 . . . . A 29 VAL CB . 17613 1 385 . 1 . 1 29 29 VAL CG1 C 13 21.461 0.400 . 1 . . . . A 29 VAL CG1 . 17613 1 386 . 1 . 1 29 29 VAL CG2 C 13 21.871 0.400 . 1 . . . . A 29 VAL CG2 . 17613 1 387 . 1 . 1 29 29 VAL N N 15 123.482 0.400 . 1 . . . . A 29 VAL N . 17613 1 388 . 1 . 1 30 30 ARG H H 1 9.135 0.020 . 1 . . . . A 30 ARG H . 17613 1 389 . 1 . 1 30 30 ARG HA H 1 4.740 0.020 . 1 . . . . A 30 ARG HA . 17613 1 390 . 1 . 1 30 30 ARG HB2 H 1 1.654 0.020 . 2 . . . . A 30 ARG HB2 . 17613 1 391 . 1 . 1 30 30 ARG HB3 H 1 1.514 0.020 . 2 . . . . A 30 ARG HB3 . 17613 1 392 . 1 . 1 30 30 ARG HG2 H 1 1.497 0.020 . 2 . . . . A 30 ARG HG2 . 17613 1 393 . 1 . 1 30 30 ARG HG3 H 1 1.452 0.020 . 2 . . . . A 30 ARG HG3 . 17613 1 394 . 1 . 1 30 30 ARG HD2 H 1 3.333 0.020 . 2 . . . . A 30 ARG HD2 . 17613 1 395 . 1 . 1 30 30 ARG HD3 H 1 2.933 0.020 . 2 . . . . A 30 ARG HD3 . 17613 1 396 . 1 . 1 30 30 ARG C C 13 173.332 0.400 . 1 . . . . A 30 ARG C . 17613 1 397 . 1 . 1 30 30 ARG CA C 13 53.788 0.400 . 1 . . . . A 30 ARG CA . 17613 1 398 . 1 . 1 30 30 ARG CB C 13 32.391 0.400 . 1 . . . . A 30 ARG CB . 17613 1 399 . 1 . 1 30 30 ARG CG C 13 26.702 0.400 . 1 . . . . A 30 ARG CG . 17613 1 400 . 1 . 1 30 30 ARG CD C 13 42.856 0.400 . 1 . . . . A 30 ARG CD . 17613 1 401 . 1 . 1 30 30 ARG N N 15 127.787 0.400 . 1 . . . . A 30 ARG N . 17613 1 402 . 1 . 1 31 31 ASP H H 1 8.377 0.020 . 1 . . . . A 31 ASP H . 17613 1 403 . 1 . 1 31 31 ASP HA H 1 5.210 0.020 . 1 . . . . A 31 ASP HA . 17613 1 404 . 1 . 1 31 31 ASP HB2 H 1 2.467 0.020 . 1 . . . . A 31 ASP HB2 . 17613 1 405 . 1 . 1 31 31 ASP HB3 H 1 2.468 0.020 . 1 . . . . A 31 ASP HB3 . 17613 1 406 . 1 . 1 31 31 ASP C C 13 175.282 0.400 . 1 . . . . A 31 ASP C . 17613 1 407 . 1 . 1 31 31 ASP CA C 13 53.370 0.400 . 1 . . . . A 31 ASP CA . 17613 1 408 . 1 . 1 31 31 ASP CB C 13 42.722 0.400 . 1 . . . . A 31 ASP CB . 17613 1 409 . 1 . 1 31 31 ASP N N 15 121.895 0.400 . 1 . . . . A 31 ASP N . 17613 1 410 . 1 . 1 32 32 VAL H H 1 8.441 0.020 . 1 . . . . A 32 VAL H . 17613 1 411 . 1 . 1 32 32 VAL HA H 1 4.248 0.020 . 1 . . . . A 32 VAL HA . 17613 1 412 . 1 . 1 32 32 VAL HB H 1 1.776 0.020 . 1 . . . . A 32 VAL HB . 17613 1 413 . 1 . 1 32 32 VAL HG11 H 1 0.867 0.020 . 2 . . . . A 32 VAL HG11 . 17613 1 414 . 1 . 1 32 32 VAL HG12 H 1 0.867 0.020 . 2 . . . . A 32 VAL HG12 . 17613 1 415 . 1 . 1 32 32 VAL HG13 H 1 0.867 0.020 . 2 . . . . A 32 VAL HG13 . 17613 1 416 . 1 . 1 32 32 VAL HG21 H 1 0.763 0.020 . 2 . . . . A 32 VAL HG21 . 17613 1 417 . 1 . 1 32 32 VAL HG22 H 1 0.763 0.020 . 2 . . . . A 32 VAL HG22 . 17613 1 418 . 1 . 1 32 32 VAL HG23 H 1 0.763 0.020 . 2 . . . . A 32 VAL HG23 . 17613 1 419 . 1 . 1 32 32 VAL C C 13 174.114 0.400 . 1 . . . . A 32 VAL C . 17613 1 420 . 1 . 1 32 32 VAL CA C 13 61.557 0.400 . 1 . . . . A 32 VAL CA . 17613 1 421 . 1 . 1 32 32 VAL CB C 13 33.884 0.400 . 1 . . . . A 32 VAL CB . 17613 1 422 . 1 . 1 32 32 VAL CG1 C 13 21.735 0.400 . 1 . . . . A 32 VAL CG1 . 17613 1 423 . 1 . 1 32 32 VAL CG2 C 13 21.142 0.400 . 1 . . . . A 32 VAL CG2 . 17613 1 424 . 1 . 1 32 32 VAL N N 15 120.426 0.400 . 1 . . . . A 32 VAL N . 17613 1 425 . 1 . 1 33 33 ASN H H 1 9.550 0.020 . 1 . . . . A 33 ASN H . 17613 1 426 . 1 . 1 33 33 ASN HA H 1 4.977 0.020 . 1 . . . . A 33 ASN HA . 17613 1 427 . 1 . 1 33 33 ASN HB2 H 1 2.910 0.020 . 2 . . . . A 33 ASN HB2 . 17613 1 428 . 1 . 1 33 33 ASN HB3 H 1 2.689 0.020 . 2 . . . . A 33 ASN HB3 . 17613 1 429 . 1 . 1 33 33 ASN HD21 H 1 7.938 0.020 . 2 . . . . A 33 ASN HD21 . 17613 1 430 . 1 . 1 33 33 ASN HD22 H 1 7.020 0.020 . 2 . . . . A 33 ASN HD22 . 17613 1 431 . 1 . 1 33 33 ASN C C 13 174.235 0.400 . 1 . . . . A 33 ASN C . 17613 1 432 . 1 . 1 33 33 ASN CA C 13 53.396 0.400 . 1 . . . . A 33 ASN CA . 17613 1 433 . 1 . 1 33 33 ASN CB C 13 40.869 0.400 . 1 . . . . A 33 ASN CB . 17613 1 434 . 1 . 1 33 33 ASN N N 15 122.700 0.400 . 1 . . . . A 33 ASN N . 17613 1 435 . 1 . 1 33 33 ASN ND2 N 15 114.609 0.400 . 1 . . . . A 33 ASN ND2 . 17613 1 436 . 1 . 1 34 34 ASP H H 1 7.616 0.020 . 1 . . . . A 34 ASP H . 17613 1 437 . 1 . 1 34 34 ASP HA H 1 4.703 0.020 . 1 . . . . A 34 ASP HA . 17613 1 438 . 1 . 1 34 34 ASP HB2 H 1 2.909 0.020 . 2 . . . . A 34 ASP HB2 . 17613 1 439 . 1 . 1 34 34 ASP HB3 H 1 3.086 0.020 . 2 . . . . A 34 ASP HB3 . 17613 1 440 . 1 . 1 34 34 ASP C C 13 175.626 0.400 . 1 . . . . A 34 ASP C . 17613 1 441 . 1 . 1 34 34 ASP CA C 13 53.483 0.400 . 1 . . . . A 34 ASP CA . 17613 1 442 . 1 . 1 34 34 ASP CB C 13 42.396 0.400 . 1 . . . . A 34 ASP CB . 17613 1 443 . 1 . 1 34 34 ASP N N 15 114.885 0.400 . 1 . . . . A 34 ASP N . 17613 1 444 . 1 . 1 35 35 SER H H 1 8.869 0.020 . 1 . . . . A 35 SER H . 17613 1 445 . 1 . 1 35 35 SER HA H 1 4.046 0.020 . 1 . . . . A 35 SER HA . 17613 1 446 . 1 . 1 35 35 SER HB2 H 1 3.919 0.020 . 2 . . . . A 35 SER HB2 . 17613 1 447 . 1 . 1 35 35 SER HB3 H 1 3.949 0.020 . 2 . . . . A 35 SER HB3 . 17613 1 448 . 1 . 1 35 35 SER C C 13 175.991 0.400 . 1 . . . . A 35 SER C . 17613 1 449 . 1 . 1 35 35 SER CA C 13 61.446 0.400 . 1 . . . . A 35 SER CA . 17613 1 450 . 1 . 1 35 35 SER CB C 13 62.764 0.400 . 1 . . . . A 35 SER CB . 17613 1 451 . 1 . 1 35 35 SER N N 15 114.381 0.400 . 1 . . . . A 35 SER N . 17613 1 452 . 1 . 1 36 36 ASP H H 1 8.388 0.020 . 1 . . . . A 36 ASP H . 17613 1 453 . 1 . 1 36 36 ASP HA H 1 4.519 0.020 . 1 . . . . A 36 ASP HA . 17613 1 454 . 1 . 1 36 36 ASP HB2 H 1 2.842 0.020 . 2 . . . . A 36 ASP HB2 . 17613 1 455 . 1 . 1 36 36 ASP HB3 H 1 2.662 0.020 . 2 . . . . A 36 ASP HB3 . 17613 1 456 . 1 . 1 36 36 ASP C C 13 179.136 0.400 . 1 . . . . A 36 ASP C . 17613 1 457 . 1 . 1 36 36 ASP CA C 13 57.668 0.400 . 1 . . . . A 36 ASP CA . 17613 1 458 . 1 . 1 36 36 ASP CB C 13 40.284 0.400 . 1 . . . . A 36 ASP CB . 17613 1 459 . 1 . 1 36 36 ASP N N 15 124.695 0.400 . 1 . . . . A 36 ASP N . 17613 1 460 . 1 . 1 37 37 GLU H H 1 9.009 0.020 . 1 . . . . A 37 GLU H . 17613 1 461 . 1 . 1 37 37 GLU HA H 1 4.059 0.020 . 1 . . . . A 37 GLU HA . 17613 1 462 . 1 . 1 37 37 GLU HB2 H 1 2.269 0.020 . 2 . . . . A 37 GLU HB2 . 17613 1 463 . 1 . 1 37 37 GLU HB3 H 1 2.175 0.020 . 2 . . . . A 37 GLU HB3 . 17613 1 464 . 1 . 1 37 37 GLU HG2 H 1 2.442 0.020 . 2 . . . . A 37 GLU HG2 . 17613 1 465 . 1 . 1 37 37 GLU HG3 H 1 2.728 0.020 . 2 . . . . A 37 GLU HG3 . 17613 1 466 . 1 . 1 37 37 GLU C C 13 178.698 0.400 . 1 . . . . A 37 GLU C . 17613 1 467 . 1 . 1 37 37 GLU CA C 13 59.209 0.400 . 1 . . . . A 37 GLU CA . 17613 1 468 . 1 . 1 37 37 GLU CB C 13 29.721 0.400 . 1 . . . . A 37 GLU CB . 17613 1 469 . 1 . 1 37 37 GLU CG C 13 36.545 0.400 . 1 . . . . A 37 GLU CG . 17613 1 470 . 1 . 1 37 37 GLU N N 15 122.449 0.400 . 1 . . . . A 37 GLU N . 17613 1 471 . 1 . 1 38 38 LEU H H 1 8.203 0.020 . 1 . . . . A 38 LEU H . 17613 1 472 . 1 . 1 38 38 LEU HA H 1 3.911 0.020 . 1 . . . . A 38 LEU HA . 17613 1 473 . 1 . 1 38 38 LEU HB2 H 1 2.114 0.020 . 2 . . . . A 38 LEU HB2 . 17613 1 474 . 1 . 1 38 38 LEU HB3 H 1 1.461 0.020 . 2 . . . . A 38 LEU HB3 . 17613 1 475 . 1 . 1 38 38 LEU HG H 1 1.521 0.020 . 1 . . . . A 38 LEU HG . 17613 1 476 . 1 . 1 38 38 LEU HD11 H 1 0.962 0.020 . 2 . . . . A 38 LEU HD11 . 17613 1 477 . 1 . 1 38 38 LEU HD12 H 1 0.962 0.020 . 2 . . . . A 38 LEU HD12 . 17613 1 478 . 1 . 1 38 38 LEU HD13 H 1 0.962 0.020 . 2 . . . . A 38 LEU HD13 . 17613 1 479 . 1 . 1 38 38 LEU HD21 H 1 0.889 0.020 . 2 . . . . A 38 LEU HD21 . 17613 1 480 . 1 . 1 38 38 LEU HD22 H 1 0.889 0.020 . 2 . . . . A 38 LEU HD22 . 17613 1 481 . 1 . 1 38 38 LEU HD23 H 1 0.889 0.020 . 2 . . . . A 38 LEU HD23 . 17613 1 482 . 1 . 1 38 38 LEU C C 13 177.649 0.400 . 1 . . . . A 38 LEU C . 17613 1 483 . 1 . 1 38 38 LEU CA C 13 59.133 0.400 . 1 . . . . A 38 LEU CA . 17613 1 484 . 1 . 1 38 38 LEU CB C 13 41.069 0.400 . 1 . . . . A 38 LEU CB . 17613 1 485 . 1 . 1 38 38 LEU CG C 13 27.177 0.400 . 1 . . . . A 38 LEU CG . 17613 1 486 . 1 . 1 38 38 LEU CD1 C 13 25.761 0.400 . 1 . . . . A 38 LEU CD1 . 17613 1 487 . 1 . 1 38 38 LEU CD2 C 13 25.562 0.400 . 1 . . . . A 38 LEU CD2 . 17613 1 488 . 1 . 1 38 38 LEU N N 15 119.580 0.400 . 1 . . . . A 38 LEU N . 17613 1 489 . 1 . 1 39 39 LYS H H 1 7.829 0.020 . 1 . . . . A 39 LYS H . 17613 1 490 . 1 . 1 39 39 LYS HA H 1 3.841 0.020 . 1 . . . . A 39 LYS HA . 17613 1 491 . 1 . 1 39 39 LYS HB2 H 1 1.934 0.020 . 2 . . . . A 39 LYS HB2 . 17613 1 492 . 1 . 1 39 39 LYS HB3 H 1 1.948 0.020 . 2 . . . . A 39 LYS HB3 . 17613 1 493 . 1 . 1 39 39 LYS HG2 H 1 1.457 0.020 . 2 . . . . A 39 LYS HG2 . 17613 1 494 . 1 . 1 39 39 LYS HG3 H 1 1.698 0.020 . 2 . . . . A 39 LYS HG3 . 17613 1 495 . 1 . 1 39 39 LYS HD2 H 1 1.705 0.020 . 1 . . . . A 39 LYS HD2 . 17613 1 496 . 1 . 1 39 39 LYS HD3 H 1 1.704 0.020 . 1 . . . . A 39 LYS HD3 . 17613 1 497 . 1 . 1 39 39 LYS HE2 H 1 2.979 0.020 . 2 . . . . A 39 LYS HE2 . 17613 1 498 . 1 . 1 39 39 LYS HE3 H 1 2.981 0.020 . 2 . . . . A 39 LYS HE3 . 17613 1 499 . 1 . 1 39 39 LYS C C 13 179.577 0.400 . 1 . . . . A 39 LYS C . 17613 1 500 . 1 . 1 39 39 LYS CA C 13 59.866 0.400 . 1 . . . . A 39 LYS CA . 17613 1 501 . 1 . 1 39 39 LYS CB C 13 32.048 0.400 . 1 . . . . A 39 LYS CB . 17613 1 502 . 1 . 1 39 39 LYS CG C 13 25.419 0.400 . 1 . . . . A 39 LYS CG . 17613 1 503 . 1 . 1 39 39 LYS CD C 13 29.306 0.400 . 1 . . . . A 39 LYS CD . 17613 1 504 . 1 . 1 39 39 LYS CE C 13 41.780 0.400 . 1 . . . . A 39 LYS CE . 17613 1 505 . 1 . 1 39 39 LYS N N 15 118.404 0.400 . 1 . . . . A 39 LYS N . 17613 1 506 . 1 . 1 40 40 LYS H H 1 7.779 0.020 . 1 . . . . A 40 LYS H . 17613 1 507 . 1 . 1 40 40 LYS HA H 1 4.022 0.020 . 1 . . . . A 40 LYS HA . 17613 1 508 . 1 . 1 40 40 LYS HB2 H 1 1.990 0.020 . 2 . . . . A 40 LYS HB2 . 17613 1 509 . 1 . 1 40 40 LYS HB3 H 1 1.945 0.020 . 2 . . . . A 40 LYS HB3 . 17613 1 510 . 1 . 1 40 40 LYS HG2 H 1 1.379 0.020 . 2 . . . . A 40 LYS HG2 . 17613 1 511 . 1 . 1 40 40 LYS HG3 H 1 1.620 0.020 . 2 . . . . A 40 LYS HG3 . 17613 1 512 . 1 . 1 40 40 LYS HD2 H 1 1.681 0.020 . 1 . . . . A 40 LYS HD2 . 17613 1 513 . 1 . 1 40 40 LYS HD3 H 1 1.680 0.020 . 1 . . . . A 40 LYS HD3 . 17613 1 514 . 1 . 1 40 40 LYS HE2 H 1 2.968 0.020 . 2 . . . . A 40 LYS HE2 . 17613 1 515 . 1 . 1 40 40 LYS HE3 H 1 2.966 0.020 . 2 . . . . A 40 LYS HE3 . 17613 1 516 . 1 . 1 40 40 LYS C C 13 179.577 0.400 . 1 . . . . A 40 LYS C . 17613 1 517 . 1 . 1 40 40 LYS CA C 13 59.590 0.400 . 1 . . . . A 40 LYS CA . 17613 1 518 . 1 . 1 40 40 LYS CB C 13 32.400 0.400 . 1 . . . . A 40 LYS CB . 17613 1 519 . 1 . 1 40 40 LYS CG C 13 24.982 0.400 . 1 . . . . A 40 LYS CG . 17613 1 520 . 1 . 1 40 40 LYS CD C 13 29.333 0.400 . 1 . . . . A 40 LYS CD . 17613 1 521 . 1 . 1 40 40 LYS CE C 13 41.780 0.400 . 1 . . . . A 40 LYS CE . 17613 1 522 . 1 . 1 40 40 LYS N N 15 119.271 0.400 . 1 . . . . A 40 LYS N . 17613 1 523 . 1 . 1 41 41 GLU H H 1 8.721 0.020 . 1 . . . . A 41 GLU H . 17613 1 524 . 1 . 1 41 41 GLU HA H 1 4.263 0.020 . 1 . . . . A 41 GLU HA . 17613 1 525 . 1 . 1 41 41 GLU HB2 H 1 1.950 0.020 . 1 . . . . A 41 GLU HB2 . 17613 1 526 . 1 . 1 41 41 GLU HB3 H 1 1.949 0.020 . 1 . . . . A 41 GLU HB3 . 17613 1 527 . 1 . 1 41 41 GLU HG2 H 1 2.133 0.020 . 2 . . . . A 41 GLU HG2 . 17613 1 528 . 1 . 1 41 41 GLU HG3 H 1 2.459 0.020 . 2 . . . . A 41 GLU HG3 . 17613 1 529 . 1 . 1 41 41 GLU C C 13 179.504 0.400 . 1 . . . . A 41 GLU C . 17613 1 530 . 1 . 1 41 41 GLU CA C 13 58.074 0.400 . 1 . . . . A 41 GLU CA . 17613 1 531 . 1 . 1 41 41 GLU CB C 13 28.246 0.400 . 1 . . . . A 41 GLU CB . 17613 1 532 . 1 . 1 41 41 GLU CG C 13 34.904 0.400 . 1 . . . . A 41 GLU CG . 17613 1 533 . 1 . 1 41 41 GLU N N 15 119.647 0.400 . 1 . . . . A 41 GLU N . 17613 1 534 . 1 . 1 42 42 MET H H 1 8.779 0.020 . 1 . . . . A 42 MET H . 17613 1 535 . 1 . 1 42 42 MET HA H 1 4.383 0.020 . 1 . . . . A 42 MET HA . 17613 1 536 . 1 . 1 42 42 MET HB2 H 1 2.191 0.020 . 2 . . . . A 42 MET HB2 . 17613 1 537 . 1 . 1 42 42 MET HB3 H 1 1.950 0.020 . 2 . . . . A 42 MET HB3 . 17613 1 538 . 1 . 1 42 42 MET HG2 H 1 2.656 0.020 . 2 . . . . A 42 MET HG2 . 17613 1 539 . 1 . 1 42 42 MET HG3 H 1 2.761 0.020 . 2 . . . . A 42 MET HG3 . 17613 1 540 . 1 . 1 42 42 MET HE1 H 1 1.866 0.020 . 1 . . . . A 42 MET HE1 . 17613 1 541 . 1 . 1 42 42 MET HE2 H 1 1.866 0.020 . 1 . . . . A 42 MET HE2 . 17613 1 542 . 1 . 1 42 42 MET HE3 H 1 1.866 0.020 . 1 . . . . A 42 MET HE3 . 17613 1 543 . 1 . 1 42 42 MET C C 13 179.185 0.400 . 1 . . . . A 42 MET C . 17613 1 544 . 1 . 1 42 42 MET CA C 13 57.054 0.400 . 1 . . . . A 42 MET CA . 17613 1 545 . 1 . 1 42 42 MET CB C 13 31.254 0.400 . 1 . . . . A 42 MET CB . 17613 1 546 . 1 . 1 42 42 MET CG C 13 32.468 0.400 . 1 . . . . A 42 MET CG . 17613 1 547 . 1 . 1 42 42 MET CE C 13 17.857 0.400 . 1 . . . . A 42 MET CE . 17613 1 548 . 1 . 1 42 42 MET N N 15 118.114 0.400 . 1 . . . . A 42 MET N . 17613 1 549 . 1 . 1 43 43 LYS H H 1 7.499 0.020 . 1 . . . . A 43 LYS H . 17613 1 550 . 1 . 1 43 43 LYS HA H 1 4.088 0.020 . 1 . . . . A 43 LYS HA . 17613 1 551 . 1 . 1 43 43 LYS HB2 H 1 1.907 0.020 . 2 . . . . A 43 LYS HB2 . 17613 1 552 . 1 . 1 43 43 LYS HB3 H 1 1.901 0.020 . 2 . . . . A 43 LYS HB3 . 17613 1 553 . 1 . 1 43 43 LYS HG2 H 1 1.513 0.020 . 2 . . . . A 43 LYS HG2 . 17613 1 554 . 1 . 1 43 43 LYS HG3 H 1 1.370 0.020 . 2 . . . . A 43 LYS HG3 . 17613 1 555 . 1 . 1 43 43 LYS HD2 H 1 1.678 0.020 . 2 . . . . A 43 LYS HD2 . 17613 1 556 . 1 . 1 43 43 LYS HD3 H 1 1.683 0.020 . 2 . . . . A 43 LYS HD3 . 17613 1 557 . 1 . 1 43 43 LYS HE2 H 1 2.980 0.020 . 2 . . . . A 43 LYS HE2 . 17613 1 558 . 1 . 1 43 43 LYS HE3 H 1 2.975 0.020 . 2 . . . . A 43 LYS HE3 . 17613 1 559 . 1 . 1 43 43 LYS C C 13 178.187 0.400 . 1 . . . . A 43 LYS C . 17613 1 560 . 1 . 1 43 43 LYS CA C 13 59.390 0.400 . 1 . . . . A 43 LYS CA . 17613 1 561 . 1 . 1 43 43 LYS CB C 13 31.962 0.400 . 1 . . . . A 43 LYS CB . 17613 1 562 . 1 . 1 43 43 LYS CG C 13 24.910 0.400 . 1 . . . . A 43 LYS CG . 17613 1 563 . 1 . 1 43 43 LYS CD C 13 28.780 0.400 . 1 . . . . A 43 LYS CD . 17613 1 564 . 1 . 1 43 43 LYS CE C 13 41.780 0.400 . 1 . . . . A 43 LYS CE . 17613 1 565 . 1 . 1 43 43 LYS N N 15 120.740 0.400 . 1 . . . . A 43 LYS N . 17613 1 566 . 1 . 1 44 44 LYS H H 1 7.445 0.020 . 1 . . . . A 44 LYS H . 17613 1 567 . 1 . 1 44 44 LYS HA H 1 4.061 0.020 . 1 . . . . A 44 LYS HA . 17613 1 568 . 1 . 1 44 44 LYS HB2 H 1 1.911 0.020 . 2 . . . . A 44 LYS HB2 . 17613 1 569 . 1 . 1 44 44 LYS HB3 H 1 1.906 0.020 . 2 . . . . A 44 LYS HB3 . 17613 1 570 . 1 . 1 44 44 LYS HG2 H 1 1.582 0.020 . 2 . . . . A 44 LYS HG2 . 17613 1 571 . 1 . 1 44 44 LYS HG3 H 1 1.438 0.020 . 2 . . . . A 44 LYS HG3 . 17613 1 572 . 1 . 1 44 44 LYS HD2 H 1 1.700 0.020 . 2 . . . . A 44 LYS HD2 . 17613 1 573 . 1 . 1 44 44 LYS HD3 H 1 1.702 0.020 . 2 . . . . A 44 LYS HD3 . 17613 1 574 . 1 . 1 44 44 LYS HE2 H 1 2.930 0.020 . 1 . . . . A 44 LYS HE2 . 17613 1 575 . 1 . 1 44 44 LYS HE3 H 1 2.930 0.020 . 1 . . . . A 44 LYS HE3 . 17613 1 576 . 1 . 1 44 44 LYS C C 13 179.601 0.400 . 1 . . . . A 44 LYS C . 17613 1 577 . 1 . 1 44 44 LYS CA C 13 59.500 0.400 . 1 . . . . A 44 LYS CA . 17613 1 578 . 1 . 1 44 44 LYS CB C 13 32.070 0.400 . 1 . . . . A 44 LYS CB . 17613 1 579 . 1 . 1 44 44 LYS CG C 13 24.910 0.400 . 1 . . . . A 44 LYS CG . 17613 1 580 . 1 . 1 44 44 LYS CD C 13 29.133 0.400 . 1 . . . . A 44 LYS CD . 17613 1 581 . 1 . 1 44 44 LYS CE C 13 41.780 0.400 . 1 . . . . A 44 LYS CE . 17613 1 582 . 1 . 1 44 44 LYS N N 15 118.269 0.400 . 1 . . . . A 44 LYS N . 17613 1 583 . 1 . 1 45 45 LEU H H 1 8.161 0.020 . 1 . . . . A 45 LEU H . 17613 1 584 . 1 . 1 45 45 LEU HA H 1 4.148 0.020 . 1 . . . . A 45 LEU HA . 17613 1 585 . 1 . 1 45 45 LEU HB2 H 1 1.904 0.020 . 2 . . . . A 45 LEU HB2 . 17613 1 586 . 1 . 1 45 45 LEU HB3 H 1 1.486 0.020 . 2 . . . . A 45 LEU HB3 . 17613 1 587 . 1 . 1 45 45 LEU HG H 1 1.882 0.020 . 1 . . . . A 45 LEU HG . 17613 1 588 . 1 . 1 45 45 LEU HD11 H 1 0.754 0.020 . 2 . . . . A 45 LEU HD11 . 17613 1 589 . 1 . 1 45 45 LEU HD12 H 1 0.754 0.020 . 2 . . . . A 45 LEU HD12 . 17613 1 590 . 1 . 1 45 45 LEU HD13 H 1 0.754 0.020 . 2 . . . . A 45 LEU HD13 . 17613 1 591 . 1 . 1 45 45 LEU HD21 H 1 0.725 0.020 . 2 . . . . A 45 LEU HD21 . 17613 1 592 . 1 . 1 45 45 LEU HD22 H 1 0.725 0.020 . 2 . . . . A 45 LEU HD22 . 17613 1 593 . 1 . 1 45 45 LEU HD23 H 1 0.725 0.020 . 2 . . . . A 45 LEU HD23 . 17613 1 594 . 1 . 1 45 45 LEU C C 13 178.357 0.400 . 1 . . . . A 45 LEU C . 17613 1 595 . 1 . 1 45 45 LEU CA C 13 57.187 0.400 . 1 . . . . A 45 LEU CA . 17613 1 596 . 1 . 1 45 45 LEU CB C 13 41.773 0.400 . 1 . . . . A 45 LEU CB . 17613 1 597 . 1 . 1 45 45 LEU CG C 13 26.770 0.400 . 1 . . . . A 45 LEU CG . 17613 1 598 . 1 . 1 45 45 LEU CD1 C 13 25.491 0.400 . 1 . . . . A 45 LEU CD1 . 17613 1 599 . 1 . 1 45 45 LEU CD2 C 13 23.696 0.400 . 1 . . . . A 45 LEU CD2 . 17613 1 600 . 1 . 1 45 45 LEU N N 15 117.785 0.400 . 1 . . . . A 45 LEU N . 17613 1 601 . 1 . 1 46 46 ALA H H 1 7.637 0.020 . 1 . . . . A 46 ALA H . 17613 1 602 . 1 . 1 46 46 ALA HA H 1 4.252 0.020 . 1 . . . . A 46 ALA HA . 17613 1 603 . 1 . 1 46 46 ALA HB1 H 1 1.550 0.020 . 1 . . . . A 46 ALA HB1 . 17613 1 604 . 1 . 1 46 46 ALA HB2 H 1 1.550 0.020 . 1 . . . . A 46 ALA HB2 . 17613 1 605 . 1 . 1 46 46 ALA HB3 H 1 1.550 0.020 . 1 . . . . A 46 ALA HB3 . 17613 1 606 . 1 . 1 46 46 ALA C C 13 178.893 0.400 . 1 . . . . A 46 ALA C . 17613 1 607 . 1 . 1 46 46 ALA CA C 13 53.672 0.400 . 1 . . . . A 46 ALA CA . 17613 1 608 . 1 . 1 46 46 ALA CB C 13 18.882 0.400 . 1 . . . . A 46 ALA CB . 17613 1 609 . 1 . 1 46 46 ALA N N 15 118.538 0.400 . 1 . . . . A 46 ALA N . 17613 1 610 . 1 . 1 47 47 GLU H H 1 7.713 0.020 . 1 . . . . A 47 GLU H . 17613 1 611 . 1 . 1 47 47 GLU HA H 1 4.250 0.020 . 1 . . . . A 47 GLU HA . 17613 1 612 . 1 . 1 47 47 GLU HB2 H 1 2.056 0.020 . 2 . . . . A 47 GLU HB2 . 17613 1 613 . 1 . 1 47 47 GLU HB3 H 1 2.110 0.020 . 2 . . . . A 47 GLU HB3 . 17613 1 614 . 1 . 1 47 47 GLU HG2 H 1 2.295 0.020 . 2 . . . . A 47 GLU HG2 . 17613 1 615 . 1 . 1 47 47 GLU HG3 H 1 2.500 0.020 . 2 . . . . A 47 GLU HG3 . 17613 1 616 . 1 . 1 47 47 GLU C C 13 176.478 0.400 . 1 . . . . A 47 GLU C . 17613 1 617 . 1 . 1 47 47 GLU CA C 13 56.931 0.400 . 1 . . . . A 47 GLU CA . 17613 1 618 . 1 . 1 47 47 GLU CB C 13 30.417 0.400 . 1 . . . . A 47 GLU CB . 17613 1 619 . 1 . 1 47 47 GLU CG C 13 36.271 0.400 . 1 . . . . A 47 GLU CG . 17613 1 620 . 1 . 1 47 47 GLU N N 15 115.492 0.400 . 1 . . . . A 47 GLU N . 17613 1 621 . 1 . 1 48 48 GLU H H 1 7.748 0.020 . 1 . . . . A 48 GLU H . 17613 1 622 . 1 . 1 48 48 GLU HA H 1 4.373 0.020 . 1 . . . . A 48 GLU HA . 17613 1 623 . 1 . 1 48 48 GLU HB2 H 1 2.040 0.020 . 1 . . . . A 48 GLU HB2 . 17613 1 624 . 1 . 1 48 48 GLU HB3 H 1 2.040 0.020 . 1 . . . . A 48 GLU HB3 . 17613 1 625 . 1 . 1 48 48 GLU HG2 H 1 2.202 0.020 . 2 . . . . A 48 GLU HG2 . 17613 1 626 . 1 . 1 48 48 GLU HG3 H 1 2.319 0.020 . 2 . . . . A 48 GLU HG3 . 17613 1 627 . 1 . 1 48 48 GLU C C 13 173.624 0.400 . 1 . . . . A 48 GLU C . 17613 1 628 . 1 . 1 48 48 GLU CA C 13 56.021 0.400 . 1 . . . . A 48 GLU CA . 17613 1 629 . 1 . 1 48 48 GLU CB C 13 29.910 0.400 . 1 . . . . A 48 GLU CB . 17613 1 630 . 1 . 1 48 48 GLU CG C 13 36.010 0.400 . 1 . . . . A 48 GLU CG . 17613 1 631 . 1 . 1 48 48 GLU N N 15 120.573 0.400 . 1 . . . . A 48 GLU N . 17613 1 632 . 1 . 1 49 49 LYS H H 1 8.607 0.020 . 1 . . . . A 49 LYS H . 17613 1 633 . 1 . 1 49 49 LYS HA H 1 4.318 0.020 . 1 . . . . A 49 LYS HA . 17613 1 634 . 1 . 1 49 49 LYS HB2 H 1 1.899 0.020 . 2 . . . . A 49 LYS HB2 . 17613 1 635 . 1 . 1 49 49 LYS HB3 H 1 1.755 0.020 . 2 . . . . A 49 LYS HB3 . 17613 1 636 . 1 . 1 49 49 LYS HG2 H 1 1.458 0.020 . 1 . . . . A 49 LYS HG2 . 17613 1 637 . 1 . 1 49 49 LYS HG3 H 1 1.458 0.020 . 1 . . . . A 49 LYS HG3 . 17613 1 638 . 1 . 1 49 49 LYS HD2 H 1 1.653 0.020 . 1 . . . . A 49 LYS HD2 . 17613 1 639 . 1 . 1 49 49 LYS HD3 H 1 1.653 0.020 . 1 . . . . A 49 LYS HD3 . 17613 1 640 . 1 . 1 49 49 LYS HE2 H 1 3.015 0.020 . 1 . . . . A 49 LYS HE2 . 17613 1 641 . 1 . 1 49 49 LYS HE3 H 1 3.015 0.020 . 1 . . . . A 49 LYS HE3 . 17613 1 642 . 1 . 1 49 49 LYS C C 13 176.843 0.400 . 1 . . . . A 49 LYS C . 17613 1 643 . 1 . 1 49 49 LYS CA C 13 56.517 0.400 . 1 . . . . A 49 LYS CA . 17613 1 644 . 1 . 1 49 49 LYS CB C 13 32.462 0.400 . 1 . . . . A 49 LYS CB . 17613 1 645 . 1 . 1 49 49 LYS CG C 13 24.653 0.400 . 1 . . . . A 49 LYS CG . 17613 1 646 . 1 . 1 49 49 LYS CD C 13 28.780 0.400 . 1 . . . . A 49 LYS CD . 17613 1 647 . 1 . 1 49 49 LYS CE C 13 41.780 0.400 . 1 . . . . A 49 LYS CE . 17613 1 648 . 1 . 1 49 49 LYS N N 15 124.420 0.400 . 1 . . . . A 49 LYS N . 17613 1 649 . 1 . 1 50 50 ASN H H 1 8.723 0.020 . 1 . . . . A 50 ASN H . 17613 1 650 . 1 . 1 50 50 ASN HA H 1 4.624 0.020 . 1 . . . . A 50 ASN HA . 17613 1 651 . 1 . 1 50 50 ASN HB2 H 1 2.706 0.020 . 1 . . . . A 50 ASN HB2 . 17613 1 652 . 1 . 1 50 50 ASN HB3 H 1 2.707 0.020 . 1 . . . . A 50 ASN HB3 . 17613 1 653 . 1 . 1 50 50 ASN HD21 H 1 7.633 0.020 . 2 . . . . A 50 ASN HD21 . 17613 1 654 . 1 . 1 50 50 ASN HD22 H 1 6.878 0.020 . 2 . . . . A 50 ASN HD22 . 17613 1 655 . 1 . 1 50 50 ASN C C 13 176.454 0.400 . 1 . . . . A 50 ASN C . 17613 1 656 . 1 . 1 50 50 ASN CA C 13 53.555 0.400 . 1 . . . . A 50 ASN CA . 17613 1 657 . 1 . 1 50 50 ASN CB C 13 39.036 0.400 . 1 . . . . A 50 ASN CB . 17613 1 658 . 1 . 1 50 50 ASN N N 15 117.993 0.400 . 1 . . . . A 50 ASN N . 17613 1 659 . 1 . 1 50 50 ASN ND2 N 15 113.384 0.400 . 1 . . . . A 50 ASN ND2 . 17613 1 660 . 1 . 1 51 51 PHE H H 1 8.341 0.020 . 1 . . . . A 51 PHE H . 17613 1 661 . 1 . 1 51 51 PHE HA H 1 4.758 0.020 . 1 . . . . A 51 PHE HA . 17613 1 662 . 1 . 1 51 51 PHE HB2 H 1 3.027 0.020 . 2 . . . . A 51 PHE HB2 . 17613 1 663 . 1 . 1 51 51 PHE HB3 H 1 2.967 0.020 . 2 . . . . A 51 PHE HB3 . 17613 1 664 . 1 . 1 51 51 PHE HD1 H 1 7.124 0.020 . 1 . . . . A 51 PHE HD1 . 17613 1 665 . 1 . 1 51 51 PHE HD2 H 1 7.124 0.020 . 1 . . . . A 51 PHE HD2 . 17613 1 666 . 1 . 1 51 51 PHE CA C 13 57.935 0.400 . 1 . . . . A 51 PHE CA . 17613 1 667 . 1 . 1 51 51 PHE CB C 13 38.975 0.400 . 1 . . . . A 51 PHE CB . 17613 1 668 . 1 . 1 51 51 PHE CD1 C 13 131.731 0.400 . 1 . . . . A 51 PHE CD1 . 17613 1 669 . 1 . 1 51 51 PHE CD2 C 13 131.836 0.400 . 1 . . . . A 51 PHE CD2 . 17613 1 670 . 1 . 1 51 51 PHE N N 15 120.700 0.400 . 1 . . . . A 51 PHE N . 17613 1 671 . 1 . 1 52 52 GLU HA H 1 4.258 0.020 . 1 . . . . A 52 GLU HA . 17613 1 672 . 1 . 1 52 52 GLU HB2 H 1 1.656 0.020 . 2 . . . . A 52 GLU HB2 . 17613 1 673 . 1 . 1 52 52 GLU HB3 H 1 1.952 0.020 . 2 . . . . A 52 GLU HB3 . 17613 1 674 . 1 . 1 52 52 GLU HG2 H 1 2.100 0.020 . 2 . . . . A 52 GLU HG2 . 17613 1 675 . 1 . 1 52 52 GLU HG3 H 1 2.044 0.020 . 2 . . . . A 52 GLU HG3 . 17613 1 676 . 1 . 1 52 52 GLU C C 13 173.600 0.400 . 1 . . . . A 52 GLU C . 17613 1 677 . 1 . 1 52 52 GLU CA C 13 56.254 0.400 . 1 . . . . A 52 GLU CA . 17613 1 678 . 1 . 1 52 52 GLU CB C 13 33.459 0.400 . 1 . . . . A 52 GLU CB . 17613 1 679 . 1 . 1 52 52 GLU CG C 13 36.666 0.400 . 1 . . . . A 52 GLU CG . 17613 1 680 . 1 . 1 53 53 LYS H H 1 7.962 0.020 . 1 . . . . A 53 LYS H . 17613 1 681 . 1 . 1 53 53 LYS HA H 1 4.689 0.020 . 1 . . . . A 53 LYS HA . 17613 1 682 . 1 . 1 53 53 LYS HB2 H 1 0.111 0.020 . 2 . . . . A 53 LYS HB2 . 17613 1 683 . 1 . 1 53 53 LYS HB3 H 1 1.130 0.020 . 2 . . . . A 53 LYS HB3 . 17613 1 684 . 1 . 1 53 53 LYS HG2 H 1 1.087 0.020 . 2 . . . . A 53 LYS HG2 . 17613 1 685 . 1 . 1 53 53 LYS HG3 H 1 0.935 0.020 . 2 . . . . A 53 LYS HG3 . 17613 1 686 . 1 . 1 53 53 LYS HD2 H 1 1.480 0.020 . 2 . . . . A 53 LYS HD2 . 17613 1 687 . 1 . 1 53 53 LYS HD3 H 1 1.268 0.020 . 2 . . . . A 53 LYS HD3 . 17613 1 688 . 1 . 1 53 53 LYS HE2 H 1 2.628 0.020 . 2 . . . . A 53 LYS HE2 . 17613 1 689 . 1 . 1 53 53 LYS HE3 H 1 2.717 0.020 . 2 . . . . A 53 LYS HE3 . 17613 1 690 . 1 . 1 53 53 LYS C C 13 174.430 0.400 . 1 . . . . A 53 LYS C . 17613 1 691 . 1 . 1 53 53 LYS CA C 13 55.356 0.400 . 1 . . . . A 53 LYS CA . 17613 1 692 . 1 . 1 53 53 LYS CB C 13 31.445 0.400 . 1 . . . . A 53 LYS CB . 17613 1 693 . 1 . 1 53 53 LYS CG C 13 24.593 0.400 . 1 . . . . A 53 LYS CG . 17613 1 694 . 1 . 1 53 53 LYS CD C 13 28.780 0.400 . 1 . . . . A 53 LYS CD . 17613 1 695 . 1 . 1 53 53 LYS CE C 13 41.700 0.400 . 1 . . . . A 53 LYS CE . 17613 1 696 . 1 . 1 53 53 LYS N N 15 119.964 0.400 . 1 . . . . A 53 LYS N . 17613 1 697 . 1 . 1 54 54 ILE H H 1 8.804 0.020 . 1 . . . . A 54 ILE H . 17613 1 698 . 1 . 1 54 54 ILE HA H 1 4.846 0.020 . 1 . . . . A 54 ILE HA . 17613 1 699 . 1 . 1 54 54 ILE HB H 1 1.681 0.020 . 1 . . . . A 54 ILE HB . 17613 1 700 . 1 . 1 54 54 ILE HG12 H 1 1.249 0.020 . 2 . . . . A 54 ILE HG12 . 17613 1 701 . 1 . 1 54 54 ILE HG13 H 1 0.911 0.020 . 2 . . . . A 54 ILE HG13 . 17613 1 702 . 1 . 1 54 54 ILE HG21 H 1 0.746 0.020 . 1 . . . . A 54 ILE HG21 . 17613 1 703 . 1 . 1 54 54 ILE HG22 H 1 0.746 0.020 . 1 . . . . A 54 ILE HG22 . 17613 1 704 . 1 . 1 54 54 ILE HG23 H 1 0.746 0.020 . 1 . . . . A 54 ILE HG23 . 17613 1 705 . 1 . 1 54 54 ILE HD11 H 1 0.635 0.020 . 1 . . . . A 54 ILE HD11 . 17613 1 706 . 1 . 1 54 54 ILE HD12 H 1 0.635 0.020 . 1 . . . . A 54 ILE HD12 . 17613 1 707 . 1 . 1 54 54 ILE HD13 H 1 0.635 0.020 . 1 . . . . A 54 ILE HD13 . 17613 1 708 . 1 . 1 54 54 ILE C C 13 173.089 0.400 . 1 . . . . A 54 ILE C . 17613 1 709 . 1 . 1 54 54 ILE CA C 13 59.264 0.400 . 1 . . . . A 54 ILE CA . 17613 1 710 . 1 . 1 54 54 ILE CB C 13 41.953 0.400 . 1 . . . . A 54 ILE CB . 17613 1 711 . 1 . 1 54 54 ILE CG1 C 13 27.420 0.400 . 1 . . . . A 54 ILE CG1 . 17613 1 712 . 1 . 1 54 54 ILE CG2 C 13 17.835 0.400 . 1 . . . . A 54 ILE CG2 . 17613 1 713 . 1 . 1 54 54 ILE CD1 C 13 13.410 0.400 . 1 . . . . A 54 ILE CD1 . 17613 1 714 . 1 . 1 54 54 ILE N N 15 124.730 0.400 . 1 . . . . A 54 ILE N . 17613 1 715 . 1 . 1 55 55 LEU H H 1 9.103 0.020 . 1 . . . . A 55 LEU H . 17613 1 716 . 1 . 1 55 55 LEU HA H 1 5.641 0.020 . 1 . . . . A 55 LEU HA . 17613 1 717 . 1 . 1 55 55 LEU HB2 H 1 1.761 0.020 . 2 . . . . A 55 LEU HB2 . 17613 1 718 . 1 . 1 55 55 LEU HB3 H 1 1.320 0.020 . 2 . . . . A 55 LEU HB3 . 17613 1 719 . 1 . 1 55 55 LEU HG H 1 1.566 0.020 . 1 . . . . A 55 LEU HG . 17613 1 720 . 1 . 1 55 55 LEU HD11 H 1 0.684 0.020 . 2 . . . . A 55 LEU HD11 . 17613 1 721 . 1 . 1 55 55 LEU HD12 H 1 0.684 0.020 . 2 . . . . A 55 LEU HD12 . 17613 1 722 . 1 . 1 55 55 LEU HD13 H 1 0.684 0.020 . 2 . . . . A 55 LEU HD13 . 17613 1 723 . 1 . 1 55 55 LEU HD21 H 1 0.736 0.020 . 2 . . . . A 55 LEU HD21 . 17613 1 724 . 1 . 1 55 55 LEU HD22 H 1 0.736 0.020 . 2 . . . . A 55 LEU HD22 . 17613 1 725 . 1 . 1 55 55 LEU HD23 H 1 0.736 0.020 . 2 . . . . A 55 LEU HD23 . 17613 1 726 . 1 . 1 55 55 LEU C C 13 174.430 0.400 . 1 . . . . A 55 LEU C . 17613 1 727 . 1 . 1 55 55 LEU CA C 13 53.502 0.400 . 1 . . . . A 55 LEU CA . 17613 1 728 . 1 . 1 55 55 LEU CB C 13 45.202 0.400 . 1 . . . . A 55 LEU CB . 17613 1 729 . 1 . 1 55 55 LEU CG C 13 27.373 0.400 . 1 . . . . A 55 LEU CG . 17613 1 730 . 1 . 1 55 55 LEU CD1 C 13 26.265 0.400 . 1 . . . . A 55 LEU CD1 . 17613 1 731 . 1 . 1 55 55 LEU CD2 C 13 26.632 0.400 . 1 . . . . A 55 LEU CD2 . 17613 1 732 . 1 . 1 55 55 LEU N N 15 130.086 0.400 . 1 . . . . A 55 LEU N . 17613 1 733 . 1 . 1 56 56 ILE H H 1 9.182 0.020 . 1 . . . . A 56 ILE H . 17613 1 734 . 1 . 1 56 56 ILE HA H 1 5.057 0.020 . 1 . . . . A 56 ILE HA . 17613 1 735 . 1 . 1 56 56 ILE HB H 1 1.688 0.020 . 1 . . . . A 56 ILE HB . 17613 1 736 . 1 . 1 56 56 ILE HG12 H 1 1.427 0.020 . 2 . . . . A 56 ILE HG12 . 17613 1 737 . 1 . 1 56 56 ILE HG13 H 1 0.958 0.020 . 2 . . . . A 56 ILE HG13 . 17613 1 738 . 1 . 1 56 56 ILE HG21 H 1 0.694 0.020 . 1 . . . . A 56 ILE HG21 . 17613 1 739 . 1 . 1 56 56 ILE HG22 H 1 0.694 0.020 . 1 . . . . A 56 ILE HG22 . 17613 1 740 . 1 . 1 56 56 ILE HG23 H 1 0.694 0.020 . 1 . . . . A 56 ILE HG23 . 17613 1 741 . 1 . 1 56 56 ILE HD11 H 1 0.661 0.020 . 1 . . . . A 56 ILE HD11 . 17613 1 742 . 1 . 1 56 56 ILE HD12 H 1 0.661 0.020 . 1 . . . . A 56 ILE HD12 . 17613 1 743 . 1 . 1 56 56 ILE HD13 H 1 0.661 0.020 . 1 . . . . A 56 ILE HD13 . 17613 1 744 . 1 . 1 56 56 ILE C C 13 174.089 0.400 . 1 . . . . A 56 ILE C . 17613 1 745 . 1 . 1 56 56 ILE CA C 13 59.110 0.400 . 1 . . . . A 56 ILE CA . 17613 1 746 . 1 . 1 56 56 ILE CB C 13 39.823 0.400 . 1 . . . . A 56 ILE CB . 17613 1 747 . 1 . 1 56 56 ILE CG1 C 13 27.650 0.400 . 1 . . . . A 56 ILE CG1 . 17613 1 748 . 1 . 1 56 56 ILE CG2 C 13 17.086 0.400 . 1 . . . . A 56 ILE CG2 . 17613 1 749 . 1 . 1 56 56 ILE CD1 C 13 12.573 0.400 . 1 . . . . A 56 ILE CD1 . 17613 1 750 . 1 . 1 56 56 ILE N N 15 125.983 0.400 . 1 . . . . A 56 ILE N . 17613 1 751 . 1 . 1 57 57 ILE H H 1 8.541 0.020 . 1 . . . . A 57 ILE H . 17613 1 752 . 1 . 1 57 57 ILE HA H 1 4.912 0.020 . 1 . . . . A 57 ILE HA . 17613 1 753 . 1 . 1 57 57 ILE HB H 1 1.823 0.020 . 1 . . . . A 57 ILE HB . 17613 1 754 . 1 . 1 57 57 ILE HG12 H 1 1.460 0.020 . 2 . . . . A 57 ILE HG12 . 17613 1 755 . 1 . 1 57 57 ILE HG13 H 1 0.859 0.020 . 2 . . . . A 57 ILE HG13 . 17613 1 756 . 1 . 1 57 57 ILE HG21 H 1 0.840 0.020 . 1 . . . . A 57 ILE HG21 . 17613 1 757 . 1 . 1 57 57 ILE HG22 H 1 0.840 0.020 . 1 . . . . A 57 ILE HG22 . 17613 1 758 . 1 . 1 57 57 ILE HG23 H 1 0.840 0.020 . 1 . . . . A 57 ILE HG23 . 17613 1 759 . 1 . 1 57 57 ILE HD11 H 1 0.707 0.020 . 1 . . . . A 57 ILE HD11 . 17613 1 760 . 1 . 1 57 57 ILE HD12 H 1 0.707 0.020 . 1 . . . . A 57 ILE HD12 . 17613 1 761 . 1 . 1 57 57 ILE HD13 H 1 0.707 0.020 . 1 . . . . A 57 ILE HD13 . 17613 1 762 . 1 . 1 57 57 ILE C C 13 174.869 0.400 . 1 . . . . A 57 ILE C . 17613 1 763 . 1 . 1 57 57 ILE CA C 13 59.255 0.400 . 1 . . . . A 57 ILE CA . 17613 1 764 . 1 . 1 57 57 ILE CB C 13 38.951 0.400 . 1 . . . . A 57 ILE CB . 17613 1 765 . 1 . 1 57 57 ILE CG1 C 13 27.650 0.400 . 1 . . . . A 57 ILE CG1 . 17613 1 766 . 1 . 1 57 57 ILE CG2 C 13 17.770 0.400 . 1 . . . . A 57 ILE CG2 . 17613 1 767 . 1 . 1 57 57 ILE CD1 C 13 13.942 0.400 . 1 . . . . A 57 ILE CD1 . 17613 1 768 . 1 . 1 57 57 ILE N N 15 127.241 0.400 . 1 . . . . A 57 ILE N . 17613 1 769 . 1 . 1 58 58 SER H H 1 8.810 0.020 . 1 . . . . A 58 SER H . 17613 1 770 . 1 . 1 58 58 SER HA H 1 5.007 0.020 . 1 . . . . A 58 SER HA . 17613 1 771 . 1 . 1 58 58 SER HB2 H 1 3.780 0.020 . 2 . . . . A 58 SER HB2 . 17613 1 772 . 1 . 1 58 58 SER HB3 H 1 3.419 0.020 . 2 . . . . A 58 SER HB3 . 17613 1 773 . 1 . 1 58 58 SER HG H 1 5.092 0.020 . 1 . . . . A 58 SER HG . 17613 1 774 . 1 . 1 58 58 SER C C 13 174.211 0.400 . 1 . . . . A 58 SER C . 17613 1 775 . 1 . 1 58 58 SER CA C 13 56.727 0.400 . 1 . . . . A 58 SER CA . 17613 1 776 . 1 . 1 58 58 SER CB C 13 66.615 0.400 . 1 . . . . A 58 SER CB . 17613 1 777 . 1 . 1 58 58 SER N N 15 119.270 0.400 . 1 . . . . A 58 SER N . 17613 1 778 . 1 . 1 59 59 ASN H H 1 8.794 0.020 . 1 . . . . A 59 ASN H . 17613 1 779 . 1 . 1 59 59 ASN HA H 1 4.711 0.020 . 1 . . . . A 59 ASN HA . 17613 1 780 . 1 . 1 59 59 ASN HB2 H 1 3.007 0.020 . 2 . . . . A 59 ASN HB2 . 17613 1 781 . 1 . 1 59 59 ASN HB3 H 1 2.870 0.020 . 2 . . . . A 59 ASN HB3 . 17613 1 782 . 1 . 1 59 59 ASN HD21 H 1 7.523 0.020 . 2 . . . . A 59 ASN HD21 . 17613 1 783 . 1 . 1 59 59 ASN HD22 H 1 6.755 0.020 . 2 . . . . A 59 ASN HD22 . 17613 1 784 . 1 . 1 59 59 ASN C C 13 174.795 0.400 . 1 . . . . A 59 ASN C . 17613 1 785 . 1 . 1 59 59 ASN CA C 13 52.507 0.400 . 1 . . . . A 59 ASN CA . 17613 1 786 . 1 . 1 59 59 ASN CB C 13 38.962 0.400 . 1 . . . . A 59 ASN CB . 17613 1 787 . 1 . 1 59 59 ASN N N 15 122.382 0.400 . 1 . . . . A 59 ASN N . 17613 1 788 . 1 . 1 59 59 ASN ND2 N 15 109.566 0.400 . 1 . . . . A 59 ASN ND2 . 17613 1 789 . 1 . 1 60 60 ASP H H 1 7.857 0.020 . 1 . . . . A 60 ASP H . 17613 1 790 . 1 . 1 60 60 ASP HA H 1 4.863 0.020 . 1 . . . . A 60 ASP HA . 17613 1 791 . 1 . 1 60 60 ASP HB2 H 1 2.735 0.020 . 2 . . . . A 60 ASP HB2 . 17613 1 792 . 1 . 1 60 60 ASP HB3 H 1 2.568 0.020 . 2 . . . . A 60 ASP HB3 . 17613 1 793 . 1 . 1 60 60 ASP C C 13 176.015 0.400 . 1 . . . . A 60 ASP C . 17613 1 794 . 1 . 1 60 60 ASP CA C 13 53.097 0.400 . 1 . . . . A 60 ASP CA . 17613 1 795 . 1 . 1 60 60 ASP CB C 13 42.949 0.400 . 1 . . . . A 60 ASP CB . 17613 1 796 . 1 . 1 60 60 ASP N N 15 119.744 0.400 . 1 . . . . A 60 ASP N . 17613 1 797 . 1 . 1 61 61 LYS H H 1 8.904 0.020 . 1 . . . . A 61 LYS H . 17613 1 798 . 1 . 1 61 61 LYS HA H 1 3.722 0.020 . 1 . . . . A 61 LYS HA . 17613 1 799 . 1 . 1 61 61 LYS HB2 H 1 1.517 0.020 . 2 . . . . A 61 LYS HB2 . 17613 1 800 . 1 . 1 61 61 LYS HB3 H 1 1.432 0.020 . 2 . . . . A 61 LYS HB3 . 17613 1 801 . 1 . 1 61 61 LYS HG2 H 1 1.029 0.020 . 2 . . . . A 61 LYS HG2 . 17613 1 802 . 1 . 1 61 61 LYS HG3 H 1 1.257 0.020 . 2 . . . . A 61 LYS HG3 . 17613 1 803 . 1 . 1 61 61 LYS HD2 H 1 1.173 0.020 . 2 . . . . A 61 LYS HD2 . 17613 1 804 . 1 . 1 61 61 LYS HD3 H 1 1.096 0.020 . 2 . . . . A 61 LYS HD3 . 17613 1 805 . 1 . 1 61 61 LYS HE2 H 1 2.686 0.020 . 2 . . . . A 61 LYS HE2 . 17613 1 806 . 1 . 1 61 61 LYS HE3 H 1 2.674 0.020 . 2 . . . . A 61 LYS HE3 . 17613 1 807 . 1 . 1 61 61 LYS C C 13 177.673 0.400 . 1 . . . . A 61 LYS C . 17613 1 808 . 1 . 1 61 61 LYS CA C 13 59.632 0.400 . 1 . . . . A 61 LYS CA . 17613 1 809 . 1 . 1 61 61 LYS CB C 13 31.518 0.400 . 1 . . . . A 61 LYS CB . 17613 1 810 . 1 . 1 61 61 LYS CG C 13 24.910 0.400 . 1 . . . . A 61 LYS CG . 17613 1 811 . 1 . 1 61 61 LYS CD C 13 28.780 0.400 . 1 . . . . A 61 LYS CD . 17613 1 812 . 1 . 1 61 61 LYS CE C 13 41.780 0.400 . 1 . . . . A 61 LYS CE . 17613 1 813 . 1 . 1 61 61 LYS N N 15 125.818 0.400 . 1 . . . . A 61 LYS N . 17613 1 814 . 1 . 1 62 62 GLN H H 1 8.434 0.020 . 1 . . . . A 62 GLN H . 17613 1 815 . 1 . 1 62 62 GLN HA H 1 4.105 0.020 . 1 . . . . A 62 GLN HA . 17613 1 816 . 1 . 1 62 62 GLN HB2 H 1 2.167 0.020 . 1 . . . . A 62 GLN HB2 . 17613 1 817 . 1 . 1 62 62 GLN HB3 H 1 2.167 0.020 . 1 . . . . A 62 GLN HB3 . 17613 1 818 . 1 . 1 62 62 GLN HG2 H 1 2.413 0.020 . 1 . . . . A 62 GLN HG2 . 17613 1 819 . 1 . 1 62 62 GLN HG3 H 1 2.412 0.020 . 1 . . . . A 62 GLN HG3 . 17613 1 820 . 1 . 1 62 62 GLN HE21 H 1 7.847 0.020 . 2 . . . . A 62 GLN HE21 . 17613 1 821 . 1 . 1 62 62 GLN HE22 H 1 6.890 0.020 . 2 . . . . A 62 GLN HE22 . 17613 1 822 . 1 . 1 62 62 GLN C C 13 178.747 0.400 . 1 . . . . A 62 GLN C . 17613 1 823 . 1 . 1 62 62 GLN CA C 13 58.301 0.400 . 1 . . . . A 62 GLN CA . 17613 1 824 . 1 . 1 62 62 GLN CB C 13 27.448 0.400 . 1 . . . . A 62 GLN CB . 17613 1 825 . 1 . 1 62 62 GLN CG C 13 33.720 0.400 . 1 . . . . A 62 GLN CG . 17613 1 826 . 1 . 1 62 62 GLN N N 15 118.918 0.400 . 1 . . . . A 62 GLN N . 17613 1 827 . 1 . 1 62 62 GLN NE2 N 15 112.559 0.400 . 1 . . . . A 62 GLN NE2 . 17613 1 828 . 1 . 1 63 63 LEU H H 1 7.671 0.020 . 1 . . . . A 63 LEU H . 17613 1 829 . 1 . 1 63 63 LEU HA H 1 4.134 0.020 . 1 . . . . A 63 LEU HA . 17613 1 830 . 1 . 1 63 63 LEU HB2 H 1 1.871 0.020 . 2 . . . . A 63 LEU HB2 . 17613 1 831 . 1 . 1 63 63 LEU HB3 H 1 1.426 0.020 . 2 . . . . A 63 LEU HB3 . 17613 1 832 . 1 . 1 63 63 LEU HG H 1 1.620 0.020 . 1 . . . . A 63 LEU HG . 17613 1 833 . 1 . 1 63 63 LEU HD11 H 1 0.741 0.020 . 2 . . . . A 63 LEU HD11 . 17613 1 834 . 1 . 1 63 63 LEU HD12 H 1 0.741 0.020 . 2 . . . . A 63 LEU HD12 . 17613 1 835 . 1 . 1 63 63 LEU HD13 H 1 0.741 0.020 . 2 . . . . A 63 LEU HD13 . 17613 1 836 . 1 . 1 63 63 LEU HD21 H 1 0.709 0.020 . 2 . . . . A 63 LEU HD21 . 17613 1 837 . 1 . 1 63 63 LEU HD22 H 1 0.709 0.020 . 2 . . . . A 63 LEU HD22 . 17613 1 838 . 1 . 1 63 63 LEU HD23 H 1 0.709 0.020 . 2 . . . . A 63 LEU HD23 . 17613 1 839 . 1 . 1 63 63 LEU C C 13 178.552 0.400 . 1 . . . . A 63 LEU C . 17613 1 840 . 1 . 1 63 63 LEU CA C 13 56.643 0.400 . 1 . . . . A 63 LEU CA . 17613 1 841 . 1 . 1 63 63 LEU CB C 13 40.894 0.400 . 1 . . . . A 63 LEU CB . 17613 1 842 . 1 . 1 63 63 LEU CG C 13 26.770 0.400 . 1 . . . . A 63 LEU CG . 17613 1 843 . 1 . 1 63 63 LEU CD1 C 13 25.212 0.400 . 1 . . . . A 63 LEU CD1 . 17613 1 844 . 1 . 1 63 63 LEU CD2 C 13 22.932 0.400 . 1 . . . . A 63 LEU CD2 . 17613 1 845 . 1 . 1 63 63 LEU N N 15 120.071 0.400 . 1 . . . . A 63 LEU N . 17613 1 846 . 1 . 1 64 64 LEU H H 1 7.626 0.020 . 1 . . . . A 64 LEU H . 17613 1 847 . 1 . 1 64 64 LEU HA H 1 3.907 0.020 . 1 . . . . A 64 LEU HA . 17613 1 848 . 1 . 1 64 64 LEU HB2 H 1 1.789 0.020 . 2 . . . . A 64 LEU HB2 . 17613 1 849 . 1 . 1 64 64 LEU HB3 H 1 1.629 0.020 . 2 . . . . A 64 LEU HB3 . 17613 1 850 . 1 . 1 64 64 LEU HG H 1 1.642 0.020 . 1 . . . . A 64 LEU HG . 17613 1 851 . 1 . 1 64 64 LEU HD11 H 1 0.814 0.020 . 2 . . . . A 64 LEU HD11 . 17613 1 852 . 1 . 1 64 64 LEU HD12 H 1 0.814 0.020 . 2 . . . . A 64 LEU HD12 . 17613 1 853 . 1 . 1 64 64 LEU HD13 H 1 0.814 0.020 . 2 . . . . A 64 LEU HD13 . 17613 1 854 . 1 . 1 64 64 LEU HD21 H 1 0.783 0.020 . 2 . . . . A 64 LEU HD21 . 17613 1 855 . 1 . 1 64 64 LEU HD22 H 1 0.783 0.020 . 2 . . . . A 64 LEU HD22 . 17613 1 856 . 1 . 1 64 64 LEU HD23 H 1 0.783 0.020 . 2 . . . . A 64 LEU HD23 . 17613 1 857 . 1 . 1 64 64 LEU C C 13 172.526 0.400 . 1 . . . . A 64 LEU C . 17613 1 858 . 1 . 1 64 64 LEU CA C 13 57.778 0.400 . 1 . . . . A 64 LEU CA . 17613 1 859 . 1 . 1 64 64 LEU CB C 13 41.350 0.400 . 1 . . . . A 64 LEU CB . 17613 1 860 . 1 . 1 64 64 LEU CG C 13 26.770 0.400 . 1 . . . . A 64 LEU CG . 17613 1 861 . 1 . 1 64 64 LEU CD1 C 13 24.933 0.400 . 1 . . . . A 64 LEU CD1 . 17613 1 862 . 1 . 1 64 64 LEU CD2 C 13 24.573 0.400 . 1 . . . . A 64 LEU CD2 . 17613 1 863 . 1 . 1 64 64 LEU N N 15 117.705 0.400 . 1 . . . . A 64 LEU N . 17613 1 864 . 1 . 1 65 65 LYS H H 1 8.038 0.020 . 1 . . . . A 65 LYS H . 17613 1 865 . 1 . 1 65 65 LYS HA H 1 3.794 0.020 . 1 . . . . A 65 LYS HA . 17613 1 866 . 1 . 1 65 65 LYS HB2 H 1 1.934 0.020 . 1 . . . . A 65 LYS HB2 . 17613 1 867 . 1 . 1 65 65 LYS HB3 H 1 1.933 0.020 . 1 . . . . A 65 LYS HB3 . 17613 1 868 . 1 . 1 65 65 LYS HG2 H 1 1.549 0.020 . 2 . . . . A 65 LYS HG2 . 17613 1 869 . 1 . 1 65 65 LYS HG3 H 1 1.344 0.020 . 2 . . . . A 65 LYS HG3 . 17613 1 870 . 1 . 1 65 65 LYS HD2 H 1 1.654 0.020 . 2 . . . . A 65 LYS HD2 . 17613 1 871 . 1 . 1 65 65 LYS HD3 H 1 1.651 0.020 . 2 . . . . A 65 LYS HD3 . 17613 1 872 . 1 . 1 65 65 LYS HE2 H 1 2.916 0.020 . 1 . . . . A 65 LYS HE2 . 17613 1 873 . 1 . 1 65 65 LYS HE3 H 1 2.916 0.020 . 1 . . . . A 65 LYS HE3 . 17613 1 874 . 1 . 1 65 65 LYS C C 13 178.479 0.400 . 1 . . . . A 65 LYS C . 17613 1 875 . 1 . 1 65 65 LYS CA C 13 60.226 0.400 . 1 . . . . A 65 LYS CA . 17613 1 876 . 1 . 1 65 65 LYS CB C 13 32.266 0.400 . 1 . . . . A 65 LYS CB . 17613 1 877 . 1 . 1 65 65 LYS CG C 13 24.910 0.400 . 1 . . . . A 65 LYS CG . 17613 1 878 . 1 . 1 65 65 LYS CD C 13 29.497 0.400 . 1 . . . . A 65 LYS CD . 17613 1 879 . 1 . 1 65 65 LYS CE C 13 41.780 0.400 . 1 . . . . A 65 LYS CE . 17613 1 880 . 1 . 1 65 65 LYS N N 15 118.311 0.400 . 1 . . . . A 65 LYS N . 17613 1 881 . 1 . 1 66 66 GLU H H 1 7.803 0.020 . 1 . . . . A 66 GLU H . 17613 1 882 . 1 . 1 66 66 GLU HA H 1 4.026 0.020 . 1 . . . . A 66 GLU HA . 17613 1 883 . 1 . 1 66 66 GLU HB2 H 1 2.040 0.020 . 2 . . . . A 66 GLU HB2 . 17613 1 884 . 1 . 1 66 66 GLU HB3 H 1 2.093 0.020 . 2 . . . . A 66 GLU HB3 . 17613 1 885 . 1 . 1 66 66 GLU HG2 H 1 2.391 0.020 . 2 . . . . A 66 GLU HG2 . 17613 1 886 . 1 . 1 66 66 GLU HG3 H 1 2.187 0.020 . 2 . . . . A 66 GLU HG3 . 17613 1 887 . 1 . 1 66 66 GLU C C 13 178.893 0.400 . 1 . . . . A 66 GLU C . 17613 1 888 . 1 . 1 66 66 GLU CA C 13 59.119 0.400 . 1 . . . . A 66 GLU CA . 17613 1 889 . 1 . 1 66 66 GLU CB C 13 29.262 0.400 . 1 . . . . A 66 GLU CB . 17613 1 890 . 1 . 1 66 66 GLU CG C 13 36.010 0.400 . 1 . . . . A 66 GLU CG . 17613 1 891 . 1 . 1 66 66 GLU N N 15 119.362 0.400 . 1 . . . . A 66 GLU N . 17613 1 892 . 1 . 1 67 67 MET H H 1 8.394 0.020 . 1 . . . . A 67 MET H . 17613 1 893 . 1 . 1 67 67 MET HA H 1 3.948 0.020 . 1 . . . . A 67 MET HA . 17613 1 894 . 1 . 1 67 67 MET HB2 H 1 2.203 0.020 . 2 . . . . A 67 MET HB2 . 17613 1 895 . 1 . 1 67 67 MET HB3 H 1 2.049 0.020 . 2 . . . . A 67 MET HB3 . 17613 1 896 . 1 . 1 67 67 MET HG2 H 1 2.567 0.020 . 2 . . . . A 67 MET HG2 . 17613 1 897 . 1 . 1 67 67 MET HG3 H 1 2.395 0.020 . 2 . . . . A 67 MET HG3 . 17613 1 898 . 1 . 1 67 67 MET HE1 H 1 1.880 0.020 . 1 . . . . A 67 MET HE1 . 17613 1 899 . 1 . 1 67 67 MET HE2 H 1 1.880 0.020 . 1 . . . . A 67 MET HE2 . 17613 1 900 . 1 . 1 67 67 MET HE3 H 1 1.880 0.020 . 1 . . . . A 67 MET HE3 . 17613 1 901 . 1 . 1 67 67 MET C C 13 177.527 0.400 . 1 . . . . A 67 MET C . 17613 1 902 . 1 . 1 67 67 MET CA C 13 59.963 0.400 . 1 . . . . A 67 MET CA . 17613 1 903 . 1 . 1 67 67 MET CB C 13 33.443 0.400 . 1 . . . . A 67 MET CB . 17613 1 904 . 1 . 1 67 67 MET CG C 13 32.070 0.400 . 1 . . . . A 67 MET CG . 17613 1 905 . 1 . 1 67 67 MET CE C 13 16.759 0.400 . 1 . . . . A 67 MET CE . 17613 1 906 . 1 . 1 67 67 MET N N 15 118.398 0.400 . 1 . . . . A 67 MET N . 17613 1 907 . 1 . 1 68 68 LEU H H 1 8.471 0.020 . 1 . . . . A 68 LEU H . 17613 1 908 . 1 . 1 68 68 LEU HA H 1 3.779 0.020 . 1 . . . . A 68 LEU HA . 17613 1 909 . 1 . 1 68 68 LEU HB2 H 1 1.747 0.020 . 2 . . . . A 68 LEU HB2 . 17613 1 910 . 1 . 1 68 68 LEU HB3 H 1 1.381 0.020 . 2 . . . . A 68 LEU HB3 . 17613 1 911 . 1 . 1 68 68 LEU HG H 1 1.588 0.020 . 1 . . . . A 68 LEU HG . 17613 1 912 . 1 . 1 68 68 LEU HD11 H 1 0.507 0.020 . 2 . . . . A 68 LEU HD11 . 17613 1 913 . 1 . 1 68 68 LEU HD12 H 1 0.507 0.020 . 2 . . . . A 68 LEU HD12 . 17613 1 914 . 1 . 1 68 68 LEU HD13 H 1 0.507 0.020 . 2 . . . . A 68 LEU HD13 . 17613 1 915 . 1 . 1 68 68 LEU HD21 H 1 0.384 0.020 . 2 . . . . A 68 LEU HD21 . 17613 1 916 . 1 . 1 68 68 LEU HD22 H 1 0.384 0.020 . 2 . . . . A 68 LEU HD22 . 17613 1 917 . 1 . 1 68 68 LEU HD23 H 1 0.384 0.020 . 2 . . . . A 68 LEU HD23 . 17613 1 918 . 1 . 1 68 68 LEU C C 13 178.869 0.400 . 1 . . . . A 68 LEU C . 17613 1 919 . 1 . 1 68 68 LEU CA C 13 57.941 0.400 . 1 . . . . A 68 LEU CA . 17613 1 920 . 1 . 1 68 68 LEU CB C 13 40.875 0.400 . 1 . . . . A 68 LEU CB . 17613 1 921 . 1 . 1 68 68 LEU CG C 13 26.447 0.400 . 1 . . . . A 68 LEU CG . 17613 1 922 . 1 . 1 68 68 LEU CD1 C 13 25.266 0.400 . 1 . . . . A 68 LEU CD1 . 17613 1 923 . 1 . 1 68 68 LEU CD2 C 13 23.070 0.400 . 1 . . . . A 68 LEU CD2 . 17613 1 924 . 1 . 1 68 68 LEU N N 15 118.269 0.400 . 1 . . . . A 68 LEU N . 17613 1 925 . 1 . 1 69 69 GLU H H 1 7.627 0.020 . 1 . . . . A 69 GLU H . 17613 1 926 . 1 . 1 69 69 GLU HA H 1 4.055 0.020 . 1 . . . . A 69 GLU HA . 17613 1 927 . 1 . 1 69 69 GLU HB2 H 1 2.201 0.020 . 2 . . . . A 69 GLU HB2 . 17613 1 928 . 1 . 1 69 69 GLU HB3 H 1 2.089 0.020 . 2 . . . . A 69 GLU HB3 . 17613 1 929 . 1 . 1 69 69 GLU HG2 H 1 2.273 0.020 . 2 . . . . A 69 GLU HG2 . 17613 1 930 . 1 . 1 69 69 GLU HG3 H 1 2.437 0.020 . 2 . . . . A 69 GLU HG3 . 17613 1 931 . 1 . 1 69 69 GLU C C 13 179.063 0.400 . 1 . . . . A 69 GLU C . 17613 1 932 . 1 . 1 69 69 GLU CA C 13 59.424 0.400 . 1 . . . . A 69 GLU CA . 17613 1 933 . 1 . 1 69 69 GLU CB C 13 29.140 0.400 . 1 . . . . A 69 GLU CB . 17613 1 934 . 1 . 1 69 69 GLU CG C 13 36.010 0.400 . 1 . . . . A 69 GLU CG . 17613 1 935 . 1 . 1 69 69 GLU N N 15 118.681 0.400 . 1 . . . . A 69 GLU N . 17613 1 936 . 1 . 1 70 70 LEU H H 1 7.717 0.020 . 1 . . . . A 70 LEU H . 17613 1 937 . 1 . 1 70 70 LEU HA H 1 4.161 0.020 . 1 . . . . A 70 LEU HA . 17613 1 938 . 1 . 1 70 70 LEU HB2 H 1 1.942 0.020 . 2 . . . . A 70 LEU HB2 . 17613 1 939 . 1 . 1 70 70 LEU HB3 H 1 1.570 0.020 . 2 . . . . A 70 LEU HB3 . 17613 1 940 . 1 . 1 70 70 LEU HG H 1 1.848 0.020 . 1 . . . . A 70 LEU HG . 17613 1 941 . 1 . 1 70 70 LEU HD11 H 1 0.906 0.020 . 2 . . . . A 70 LEU HD11 . 17613 1 942 . 1 . 1 70 70 LEU HD12 H 1 0.906 0.020 . 2 . . . . A 70 LEU HD12 . 17613 1 943 . 1 . 1 70 70 LEU HD13 H 1 0.906 0.020 . 2 . . . . A 70 LEU HD13 . 17613 1 944 . 1 . 1 70 70 LEU HD21 H 1 0.903 0.020 . 2 . . . . A 70 LEU HD21 . 17613 1 945 . 1 . 1 70 70 LEU HD22 H 1 0.903 0.020 . 2 . . . . A 70 LEU HD22 . 17613 1 946 . 1 . 1 70 70 LEU HD23 H 1 0.903 0.020 . 2 . . . . A 70 LEU HD23 . 17613 1 947 . 1 . 1 70 70 LEU C C 13 179.699 0.400 . 1 . . . . A 70 LEU C . 17613 1 948 . 1 . 1 70 70 LEU CA C 13 57.774 0.400 . 1 . . . . A 70 LEU CA . 17613 1 949 . 1 . 1 70 70 LEU CB C 13 41.944 0.400 . 1 . . . . A 70 LEU CB . 17613 1 950 . 1 . 1 70 70 LEU CG C 13 26.770 0.400 . 1 . . . . A 70 LEU CG . 17613 1 951 . 1 . 1 70 70 LEU CD1 C 13 25.175 0.400 . 1 . . . . A 70 LEU CD1 . 17613 1 952 . 1 . 1 70 70 LEU CD2 C 13 23.168 0.400 . 1 . . . . A 70 LEU CD2 . 17613 1 953 . 1 . 1 70 70 LEU N N 15 119.503 0.400 . 1 . . . . A 70 LEU N . 17613 1 954 . 1 . 1 71 71 ILE H H 1 8.598 0.020 . 1 . . . . A 71 ILE H . 17613 1 955 . 1 . 1 71 71 ILE HA H 1 3.737 0.020 . 1 . . . . A 71 ILE HA . 17613 1 956 . 1 . 1 71 71 ILE HB H 1 1.896 0.020 . 1 . . . . A 71 ILE HB . 17613 1 957 . 1 . 1 71 71 ILE HG12 H 1 1.693 0.020 . 2 . . . . A 71 ILE HG12 . 17613 1 958 . 1 . 1 71 71 ILE HG13 H 1 1.022 0.020 . 2 . . . . A 71 ILE HG13 . 17613 1 959 . 1 . 1 71 71 ILE HG21 H 1 0.817 0.020 . 1 . . . . A 71 ILE HG21 . 17613 1 960 . 1 . 1 71 71 ILE HG22 H 1 0.817 0.020 . 1 . . . . A 71 ILE HG22 . 17613 1 961 . 1 . 1 71 71 ILE HG23 H 1 0.817 0.020 . 1 . . . . A 71 ILE HG23 . 17613 1 962 . 1 . 1 71 71 ILE HD11 H 1 0.654 0.020 . 1 . . . . A 71 ILE HD11 . 17613 1 963 . 1 . 1 71 71 ILE HD12 H 1 0.654 0.020 . 1 . . . . A 71 ILE HD12 . 17613 1 964 . 1 . 1 71 71 ILE HD13 H 1 0.654 0.020 . 1 . . . . A 71 ILE HD13 . 17613 1 965 . 1 . 1 71 71 ILE C C 13 178.357 0.400 . 1 . . . . A 71 ILE C . 17613 1 966 . 1 . 1 71 71 ILE CA C 13 64.242 0.400 . 1 . . . . A 71 ILE CA . 17613 1 967 . 1 . 1 71 71 ILE CB C 13 37.901 0.400 . 1 . . . . A 71 ILE CB . 17613 1 968 . 1 . 1 71 71 ILE CG1 C 13 28.690 0.400 . 1 . . . . A 71 ILE CG1 . 17613 1 969 . 1 . 1 71 71 ILE CG2 C 13 18.372 0.400 . 1 . . . . A 71 ILE CG2 . 17613 1 970 . 1 . 1 71 71 ILE CD1 C 13 14.719 0.400 . 1 . . . . A 71 ILE CD1 . 17613 1 971 . 1 . 1 71 71 ILE N N 15 116.791 0.400 . 1 . . . . A 71 ILE N . 17613 1 972 . 1 . 1 72 72 SER H H 1 8.023 0.020 . 1 . . . . A 72 SER H . 17613 1 973 . 1 . 1 72 72 SER HA H 1 4.365 0.020 . 1 . . . . A 72 SER HA . 17613 1 974 . 1 . 1 72 72 SER HB2 H 1 4.122 0.020 . 1 . . . . A 72 SER HB2 . 17613 1 975 . 1 . 1 72 72 SER HB3 H 1 4.122 0.020 . 1 . . . . A 72 SER HB3 . 17613 1 976 . 1 . 1 72 72 SER C C 13 176.845 0.400 . 1 . . . . A 72 SER C . 17613 1 977 . 1 . 1 72 72 SER CA C 13 61.365 0.400 . 1 . . . . A 72 SER CA . 17613 1 978 . 1 . 1 72 72 SER CB C 13 62.780 0.400 . 1 . . . . A 72 SER CB . 17613 1 979 . 1 . 1 72 72 SER N N 15 116.517 0.400 . 1 . . . . A 72 SER N . 17613 1 980 . 1 . 1 73 73 LYS H H 1 7.723 0.020 . 1 . . . . A 73 LYS H . 17613 1 981 . 1 . 1 73 73 LYS HA H 1 4.291 0.020 . 1 . . . . A 73 LYS HA . 17613 1 982 . 1 . 1 73 73 LYS HB2 H 1 1.895 0.020 . 1 . . . . A 73 LYS HB2 . 17613 1 983 . 1 . 1 73 73 LYS HB3 H 1 1.894 0.020 . 1 . . . . A 73 LYS HB3 . 17613 1 984 . 1 . 1 73 73 LYS HG2 H 1 1.597 0.020 . 2 . . . . A 73 LYS HG2 . 17613 1 985 . 1 . 1 73 73 LYS HG3 H 1 1.478 0.020 . 2 . . . . A 73 LYS HG3 . 17613 1 986 . 1 . 1 73 73 LYS HD2 H 1 1.684 0.020 . 1 . . . . A 73 LYS HD2 . 17613 1 987 . 1 . 1 73 73 LYS HD3 H 1 1.683 0.020 . 1 . . . . A 73 LYS HD3 . 17613 1 988 . 1 . 1 73 73 LYS HE2 H 1 2.982 0.020 . 2 . . . . A 73 LYS HE2 . 17613 1 989 . 1 . 1 73 73 LYS HE3 H 1 2.977 0.020 . 2 . . . . A 73 LYS HE3 . 17613 1 990 . 1 . 1 73 73 LYS C C 13 177.771 0.400 . 1 . . . . A 73 LYS C . 17613 1 991 . 1 . 1 73 73 LYS CA C 13 57.476 0.400 . 1 . . . . A 73 LYS CA . 17613 1 992 . 1 . 1 73 73 LYS CB C 13 32.146 0.400 . 1 . . . . A 73 LYS CB . 17613 1 993 . 1 . 1 73 73 LYS CG C 13 24.910 0.400 . 1 . . . . A 73 LYS CG . 17613 1 994 . 1 . 1 73 73 LYS CD C 13 28.780 0.400 . 1 . . . . A 73 LYS CD . 17613 1 995 . 1 . 1 73 73 LYS CE C 13 41.780 0.400 . 1 . . . . A 73 LYS CE . 17613 1 996 . 1 . 1 73 73 LYS N N 15 120.731 0.400 . 1 . . . . A 73 LYS N . 17613 1 997 . 1 . 1 74 74 LEU H H 1 7.609 0.020 . 1 . . . . A 74 LEU H . 17613 1 998 . 1 . 1 74 74 LEU HA H 1 4.227 0.020 . 1 . . . . A 74 LEU HA . 17613 1 999 . 1 . 1 74 74 LEU HB2 H 1 1.466 0.020 . 2 . . . . A 74 LEU HB2 . 17613 1 1000 . 1 . 1 74 74 LEU HB3 H 1 1.197 0.020 . 2 . . . . A 74 LEU HB3 . 17613 1 1001 . 1 . 1 74 74 LEU HG H 1 1.703 0.020 . 1 . . . . A 74 LEU HG . 17613 1 1002 . 1 . 1 74 74 LEU HD11 H 1 0.817 0.020 . 2 . . . . A 74 LEU HD11 . 17613 1 1003 . 1 . 1 74 74 LEU HD12 H 1 0.817 0.020 . 2 . . . . A 74 LEU HD12 . 17613 1 1004 . 1 . 1 74 74 LEU HD13 H 1 0.817 0.020 . 2 . . . . A 74 LEU HD13 . 17613 1 1005 . 1 . 1 74 74 LEU HD21 H 1 0.819 0.020 . 2 . . . . A 74 LEU HD21 . 17613 1 1006 . 1 . 1 74 74 LEU HD22 H 1 0.819 0.020 . 2 . . . . A 74 LEU HD22 . 17613 1 1007 . 1 . 1 74 74 LEU HD23 H 1 0.819 0.020 . 2 . . . . A 74 LEU HD23 . 17613 1 1008 . 1 . 1 74 74 LEU C C 13 177.332 0.400 . 1 . . . . A 74 LEU C . 17613 1 1009 . 1 . 1 74 74 LEU CA C 13 55.199 0.400 . 1 . . . . A 74 LEU CA . 17613 1 1010 . 1 . 1 74 74 LEU CB C 13 41.486 0.400 . 1 . . . . A 74 LEU CB . 17613 1 1011 . 1 . 1 74 74 LEU CG C 13 26.267 0.400 . 1 . . . . A 74 LEU CG . 17613 1 1012 . 1 . 1 74 74 LEU CD1 C 13 25.818 0.400 . 1 . . . . A 74 LEU CD1 . 17613 1 1013 . 1 . 1 74 74 LEU CD2 C 13 21.875 0.400 . 1 . . . . A 74 LEU CD2 . 17613 1 1014 . 1 . 1 74 74 LEU N N 15 117.572 0.400 . 1 . . . . A 74 LEU N . 17613 1 1015 . 1 . 1 75 75 GLY H H 1 7.925 0.020 . 1 . . . . A 75 GLY H . 17613 1 1016 . 1 . 1 75 75 GLY HA2 H 1 3.836 0.020 . 2 . . . . A 75 GLY HA2 . 17613 1 1017 . 1 . 1 75 75 GLY HA3 H 1 4.012 0.020 . 2 . . . . A 75 GLY HA3 . 17613 1 1018 . 1 . 1 75 75 GLY C C 13 174.771 0.400 . 1 . . . . A 75 GLY C . 17613 1 1019 . 1 . 1 75 75 GLY CA C 13 45.842 0.400 . 1 . . . . A 75 GLY CA . 17613 1 1020 . 1 . 1 75 75 GLY N N 15 105.991 0.400 . 1 . . . . A 75 GLY N . 17613 1 1021 . 1 . 1 76 76 TYR H H 1 7.366 0.020 . 1 . . . . A 76 TYR H . 17613 1 1022 . 1 . 1 76 76 TYR HA H 1 4.778 0.020 . 1 . . . . A 76 TYR HA . 17613 1 1023 . 1 . 1 76 76 TYR HB2 H 1 2.664 0.020 . 2 . . . . A 76 TYR HB2 . 17613 1 1024 . 1 . 1 76 76 TYR HB3 H 1 2.848 0.020 . 2 . . . . A 76 TYR HB3 . 17613 1 1025 . 1 . 1 76 76 TYR HD1 H 1 6.856 0.020 . 1 . . . . A 76 TYR HD1 . 17613 1 1026 . 1 . 1 76 76 TYR HD2 H 1 6.856 0.020 . 1 . . . . A 76 TYR HD2 . 17613 1 1027 . 1 . 1 76 76 TYR HE1 H 1 6.715 0.020 . 1 . . . . A 76 TYR HE1 . 17613 1 1028 . 1 . 1 76 76 TYR HE2 H 1 6.715 0.020 . 1 . . . . A 76 TYR HE2 . 17613 1 1029 . 1 . 1 76 76 TYR C C 13 175.234 0.400 . 1 . . . . A 76 TYR C . 17613 1 1030 . 1 . 1 76 76 TYR CA C 13 55.504 0.400 . 1 . . . . A 76 TYR CA . 17613 1 1031 . 1 . 1 76 76 TYR CB C 13 37.962 0.400 . 1 . . . . A 76 TYR CB . 17613 1 1032 . 1 . 1 76 76 TYR CD1 C 13 132.040 0.400 . 1 . . . . A 76 TYR CD1 . 17613 1 1033 . 1 . 1 76 76 TYR CD2 C 13 132.146 0.400 . 1 . . . . A 76 TYR CD2 . 17613 1 1034 . 1 . 1 76 76 TYR CE1 C 13 118.075 0.400 . 1 . . . . A 76 TYR CE1 . 17613 1 1035 . 1 . 1 76 76 TYR CE2 C 13 117.910 0.400 . 1 . . . . A 76 TYR CE2 . 17613 1 1036 . 1 . 1 76 76 TYR N N 15 118.452 0.400 . 1 . . . . A 76 TYR N . 17613 1 1037 . 1 . 1 77 77 LYS H H 1 8.290 0.020 . 1 . . . . A 77 LYS H . 17613 1 1038 . 1 . 1 77 77 LYS HA H 1 4.548 0.020 . 1 . . . . A 77 LYS HA . 17613 1 1039 . 1 . 1 77 77 LYS HB2 H 1 1.843 0.020 . 2 . . . . A 77 LYS HB2 . 17613 1 1040 . 1 . 1 77 77 LYS HB3 H 1 1.841 0.020 . 2 . . . . A 77 LYS HB3 . 17613 1 1041 . 1 . 1 77 77 LYS HG2 H 1 1.355 0.020 . 2 . . . . A 77 LYS HG2 . 17613 1 1042 . 1 . 1 77 77 LYS HG3 H 1 1.171 0.020 . 2 . . . . A 77 LYS HG3 . 17613 1 1043 . 1 . 1 77 77 LYS HD2 H 1 1.624 0.020 . 1 . . . . A 77 LYS HD2 . 17613 1 1044 . 1 . 1 77 77 LYS HD3 H 1 1.623 0.020 . 1 . . . . A 77 LYS HD3 . 17613 1 1045 . 1 . 1 77 77 LYS HE2 H 1 2.825 0.020 . 2 . . . . A 77 LYS HE2 . 17613 1 1046 . 1 . 1 77 77 LYS HE3 H 1 2.576 0.020 . 2 . . . . A 77 LYS HE3 . 17613 1 1047 . 1 . 1 77 77 LYS C C 13 174.138 0.400 . 1 . . . . A 77 LYS C . 17613 1 1048 . 1 . 1 77 77 LYS CA C 13 55.070 0.400 . 1 . . . . A 77 LYS CA . 17613 1 1049 . 1 . 1 77 77 LYS CB C 13 32.217 0.400 . 1 . . . . A 77 LYS CB . 17613 1 1050 . 1 . 1 77 77 LYS CG C 13 24.491 0.400 . 1 . . . . A 77 LYS CG . 17613 1 1051 . 1 . 1 77 77 LYS CD C 13 28.205 0.400 . 1 . . . . A 77 LYS CD . 17613 1 1052 . 1 . 1 77 77 LYS CE C 13 41.931 0.400 . 1 . . . . A 77 LYS CE . 17613 1 1053 . 1 . 1 77 77 LYS N N 15 122.866 0.400 . 1 . . . . A 77 LYS N . 17613 1 1054 . 1 . 1 78 78 VAL H H 1 7.830 0.020 . 1 . . . . A 78 VAL H . 17613 1 1055 . 1 . 1 78 78 VAL HA H 1 5.166 0.020 . 1 . . . . A 78 VAL HA . 17613 1 1056 . 1 . 1 78 78 VAL HB H 1 1.557 0.020 . 1 . . . . A 78 VAL HB . 17613 1 1057 . 1 . 1 78 78 VAL HG11 H 1 0.615 0.020 . 2 . . . . A 78 VAL HG11 . 17613 1 1058 . 1 . 1 78 78 VAL HG12 H 1 0.615 0.020 . 2 . . . . A 78 VAL HG12 . 17613 1 1059 . 1 . 1 78 78 VAL HG13 H 1 0.615 0.020 . 2 . . . . A 78 VAL HG13 . 17613 1 1060 . 1 . 1 78 78 VAL HG21 H 1 0.725 0.020 . 2 . . . . A 78 VAL HG21 . 17613 1 1061 . 1 . 1 78 78 VAL HG22 H 1 0.725 0.020 . 2 . . . . A 78 VAL HG22 . 17613 1 1062 . 1 . 1 78 78 VAL HG23 H 1 0.725 0.020 . 2 . . . . A 78 VAL HG23 . 17613 1 1063 . 1 . 1 78 78 VAL C C 13 174.162 0.400 . 1 . . . . A 78 VAL C . 17613 1 1064 . 1 . 1 78 78 VAL CA C 13 60.229 0.400 . 1 . . . . A 78 VAL CA . 17613 1 1065 . 1 . 1 78 78 VAL CB C 13 34.355 0.400 . 1 . . . . A 78 VAL CB . 17613 1 1066 . 1 . 1 78 78 VAL CG1 C 13 21.108 0.400 . 1 . . . . A 78 VAL CG1 . 17613 1 1067 . 1 . 1 78 78 VAL CG2 C 13 22.145 0.400 . 1 . . . . A 78 VAL CG2 . 17613 1 1068 . 1 . 1 78 78 VAL N N 15 124.071 0.400 . 1 . . . . A 78 VAL N . 17613 1 1069 . 1 . 1 79 79 PHE H H 1 8.374 0.020 . 1 . . . . A 79 PHE H . 17613 1 1070 . 1 . 1 79 79 PHE HA H 1 4.567 0.020 . 1 . . . . A 79 PHE HA . 17613 1 1071 . 1 . 1 79 79 PHE HB2 H 1 1.042 0.020 . 2 . . . . A 79 PHE HB2 . 17613 1 1072 . 1 . 1 79 79 PHE HB3 H 1 2.075 0.020 . 2 . . . . A 79 PHE HB3 . 17613 1 1073 . 1 . 1 79 79 PHE HD1 H 1 6.720 0.020 . 1 . . . . A 79 PHE HD1 . 17613 1 1074 . 1 . 1 79 79 PHE HD2 H 1 6.720 0.020 . 1 . . . . A 79 PHE HD2 . 17613 1 1075 . 1 . 1 79 79 PHE HE1 H 1 7.097 0.020 . 1 . . . . A 79 PHE HE1 . 17613 1 1076 . 1 . 1 79 79 PHE HE2 H 1 7.097 0.020 . 1 . . . . A 79 PHE HE2 . 17613 1 1077 . 1 . 1 79 79 PHE HZ H 1 6.990 0.020 . 1 . . . . A 79 PHE HZ . 17613 1 1078 . 1 . 1 79 79 PHE C C 13 173.357 0.400 . 1 . . . . A 79 PHE C . 17613 1 1079 . 1 . 1 79 79 PHE CA C 13 55.953 0.400 . 1 . . . . A 79 PHE CA . 17613 1 1080 . 1 . 1 79 79 PHE CB C 13 40.184 0.400 . 1 . . . . A 79 PHE CB . 17613 1 1081 . 1 . 1 79 79 PHE CD1 C 13 131.806 0.400 . 1 . . . . A 79 PHE CD1 . 17613 1 1082 . 1 . 1 79 79 PHE CD2 C 13 131.806 0.400 . 1 . . . . A 79 PHE CD2 . 17613 1 1083 . 1 . 1 79 79 PHE CE1 C 13 130.139 0.400 . 1 . . . . A 79 PHE CE1 . 17613 1 1084 . 1 . 1 79 79 PHE CE2 C 13 130.226 0.400 . 1 . . . . A 79 PHE CE2 . 17613 1 1085 . 1 . 1 79 79 PHE CZ C 13 128.170 0.400 . 1 . . . . A 79 PHE CZ . 17613 1 1086 . 1 . 1 79 79 PHE N N 15 126.174 0.400 . 1 . . . . A 79 PHE N . 17613 1 1087 . 1 . 1 80 80 LEU H H 1 8.601 0.020 . 1 . . . . A 80 LEU H . 17613 1 1088 . 1 . 1 80 80 LEU HA H 1 5.546 0.020 . 1 . . . . A 80 LEU HA . 17613 1 1089 . 1 . 1 80 80 LEU HB2 H 1 1.753 0.020 . 2 . . . . A 80 LEU HB2 . 17613 1 1090 . 1 . 1 80 80 LEU HB3 H 1 1.288 0.020 . 2 . . . . A 80 LEU HB3 . 17613 1 1091 . 1 . 1 80 80 LEU HG H 1 1.441 0.020 . 1 . . . . A 80 LEU HG . 17613 1 1092 . 1 . 1 80 80 LEU HD11 H 1 0.775 0.020 . 1 . . . . A 80 LEU HD11 . 17613 1 1093 . 1 . 1 80 80 LEU HD12 H 1 0.775 0.020 . 1 . . . . A 80 LEU HD12 . 17613 1 1094 . 1 . 1 80 80 LEU HD13 H 1 0.775 0.020 . 1 . . . . A 80 LEU HD13 . 17613 1 1095 . 1 . 1 80 80 LEU HD21 H 1 0.776 0.020 . 1 . . . . A 80 LEU HD21 . 17613 1 1096 . 1 . 1 80 80 LEU HD22 H 1 0.776 0.020 . 1 . . . . A 80 LEU HD22 . 17613 1 1097 . 1 . 1 80 80 LEU HD23 H 1 0.776 0.020 . 1 . . . . A 80 LEU HD23 . 17613 1 1098 . 1 . 1 80 80 LEU C C 13 173.503 0.400 . 1 . . . . A 80 LEU C . 17613 1 1099 . 1 . 1 80 80 LEU CA C 13 53.998 0.400 . 1 . . . . A 80 LEU CA . 17613 1 1100 . 1 . 1 80 80 LEU CB C 13 45.667 0.400 . 1 . . . . A 80 LEU CB . 17613 1 1101 . 1 . 1 80 80 LEU CG C 13 28.308 0.400 . 1 . . . . A 80 LEU CG . 17613 1 1102 . 1 . 1 80 80 LEU CD1 C 13 25.505 0.400 . 1 . . . . A 80 LEU CD1 . 17613 1 1103 . 1 . 1 80 80 LEU CD2 C 13 27.658 0.400 . 1 . . . . A 80 LEU CD2 . 17613 1 1104 . 1 . 1 80 80 LEU N N 15 123.959 0.400 . 1 . . . . A 80 LEU N . 17613 1 1105 . 1 . 1 81 81 LEU H H 1 9.063 0.020 . 1 . . . . A 81 LEU H . 17613 1 1106 . 1 . 1 81 81 LEU HA H 1 5.269 0.020 . 1 . . . . A 81 LEU HA . 17613 1 1107 . 1 . 1 81 81 LEU HB2 H 1 1.919 0.020 . 2 . . . . A 81 LEU HB2 . 17613 1 1108 . 1 . 1 81 81 LEU HB3 H 1 1.356 0.020 . 2 . . . . A 81 LEU HB3 . 17613 1 1109 . 1 . 1 81 81 LEU HG H 1 1.346 0.020 . 1 . . . . A 81 LEU HG . 17613 1 1110 . 1 . 1 81 81 LEU HD11 H 1 0.789 0.020 . 2 . . . . A 81 LEU HD11 . 17613 1 1111 . 1 . 1 81 81 LEU HD12 H 1 0.789 0.020 . 2 . . . . A 81 LEU HD12 . 17613 1 1112 . 1 . 1 81 81 LEU HD13 H 1 0.789 0.020 . 2 . . . . A 81 LEU HD13 . 17613 1 1113 . 1 . 1 81 81 LEU HD21 H 1 0.706 0.020 . 2 . . . . A 81 LEU HD21 . 17613 1 1114 . 1 . 1 81 81 LEU HD22 H 1 0.706 0.020 . 2 . . . . A 81 LEU HD22 . 17613 1 1115 . 1 . 1 81 81 LEU HD23 H 1 0.706 0.020 . 2 . . . . A 81 LEU HD23 . 17613 1 1116 . 1 . 1 81 81 LEU C C 13 173.649 0.400 . 1 . . . . A 81 LEU C . 17613 1 1117 . 1 . 1 81 81 LEU CA C 13 53.064 0.400 . 1 . . . . A 81 LEU CA . 17613 1 1118 . 1 . 1 81 81 LEU CB C 13 45.777 0.400 . 1 . . . . A 81 LEU CB . 17613 1 1119 . 1 . 1 81 81 LEU CG C 13 27.360 0.400 . 1 . . . . A 81 LEU CG . 17613 1 1120 . 1 . 1 81 81 LEU CD1 C 13 24.934 0.400 . 1 . . . . A 81 LEU CD1 . 17613 1 1121 . 1 . 1 81 81 LEU CD2 C 13 25.856 0.400 . 1 . . . . A 81 LEU CD2 . 17613 1 1122 . 1 . 1 81 81 LEU N N 15 126.694 0.400 . 1 . . . . A 81 LEU N . 17613 1 1123 . 1 . 1 82 82 LEU H H 1 8.864 0.020 . 1 . . . . A 82 LEU H . 17613 1 1124 . 1 . 1 82 82 LEU HA H 1 4.911 0.020 . 1 . . . . A 82 LEU HA . 17613 1 1125 . 1 . 1 82 82 LEU HB2 H 1 1.621 0.020 . 2 . . . . A 82 LEU HB2 . 17613 1 1126 . 1 . 1 82 82 LEU HB3 H 1 1.736 0.020 . 2 . . . . A 82 LEU HB3 . 17613 1 1127 . 1 . 1 82 82 LEU HG H 1 1.598 0.020 . 1 . . . . A 82 LEU HG . 17613 1 1128 . 1 . 1 82 82 LEU HD11 H 1 0.778 0.020 . 2 . . . . A 82 LEU HD11 . 17613 1 1129 . 1 . 1 82 82 LEU HD12 H 1 0.778 0.020 . 2 . . . . A 82 LEU HD12 . 17613 1 1130 . 1 . 1 82 82 LEU HD13 H 1 0.778 0.020 . 2 . . . . A 82 LEU HD13 . 17613 1 1131 . 1 . 1 82 82 LEU HD21 H 1 0.825 0.020 . 2 . . . . A 82 LEU HD21 . 17613 1 1132 . 1 . 1 82 82 LEU HD22 H 1 0.825 0.020 . 2 . . . . A 82 LEU HD22 . 17613 1 1133 . 1 . 1 82 82 LEU HD23 H 1 0.825 0.020 . 2 . . . . A 82 LEU HD23 . 17613 1 1134 . 1 . 1 82 82 LEU C C 13 174.479 0.400 . 1 . . . . A 82 LEU C . 17613 1 1135 . 1 . 1 82 82 LEU CA C 13 53.135 0.400 . 1 . . . . A 82 LEU CA . 17613 1 1136 . 1 . 1 82 82 LEU CB C 13 44.222 0.400 . 1 . . . . A 82 LEU CB . 17613 1 1137 . 1 . 1 82 82 LEU CG C 13 26.760 0.400 . 1 . . . . A 82 LEU CG . 17613 1 1138 . 1 . 1 82 82 LEU CD1 C 13 26.011 0.400 . 1 . . . . A 82 LEU CD1 . 17613 1 1139 . 1 . 1 82 82 LEU CD2 C 13 23.860 0.400 . 1 . . . . A 82 LEU CD2 . 17613 1 1140 . 1 . 1 82 82 LEU N N 15 124.888 0.400 . 1 . . . . A 82 LEU N . 17613 1 1141 . 1 . 1 83 83 GLN H H 1 8.437 0.020 . 1 . . . . A 83 GLN H . 17613 1 1142 . 1 . 1 83 83 GLN HA H 1 5.260 0.020 . 1 . . . . A 83 GLN HA . 17613 1 1143 . 1 . 1 83 83 GLN HB2 H 1 2.212 0.020 . 2 . . . . A 83 GLN HB2 . 17613 1 1144 . 1 . 1 83 83 GLN HB3 H 1 1.420 0.020 . 2 . . . . A 83 GLN HB3 . 17613 1 1145 . 1 . 1 83 83 GLN HG2 H 1 2.336 0.020 . 2 . . . . A 83 GLN HG2 . 17613 1 1146 . 1 . 1 83 83 GLN HG3 H 1 2.117 0.020 . 2 . . . . A 83 GLN HG3 . 17613 1 1147 . 1 . 1 83 83 GLN HE21 H 1 7.201 0.020 . 1 . . . . A 83 GLN HE21 . 17613 1 1148 . 1 . 1 83 83 GLN HE22 H 1 7.200 0.020 . 1 . . . . A 83 GLN HE22 . 17613 1 1149 . 1 . 1 83 83 GLN C C 13 174.333 0.400 . 1 . . . . A 83 GLN C . 17613 1 1150 . 1 . 1 83 83 GLN CA C 13 54.586 0.400 . 1 . . . . A 83 GLN CA . 17613 1 1151 . 1 . 1 83 83 GLN CB C 13 29.870 0.400 . 1 . . . . A 83 GLN CB . 17613 1 1152 . 1 . 1 83 83 GLN CG C 13 33.720 0.400 . 1 . . . . A 83 GLN CG . 17613 1 1153 . 1 . 1 83 83 GLN N N 15 122.153 0.400 . 1 . . . . A 83 GLN N . 17613 1 1154 . 1 . 1 83 83 GLN NE2 N 15 110.447 0.400 . 1 . . . . A 83 GLN NE2 . 17613 1 1155 . 1 . 1 84 84 ASP H H 1 8.205 0.020 . 1 . . . . A 84 ASP H . 17613 1 1156 . 1 . 1 84 84 ASP HA H 1 4.502 0.020 . 1 . . . . A 84 ASP HA . 17613 1 1157 . 1 . 1 84 84 ASP HB2 H 1 2.588 0.020 . 2 . . . . A 84 ASP HB2 . 17613 1 1158 . 1 . 1 84 84 ASP HB3 H 1 2.664 0.020 . 2 . . . . A 84 ASP HB3 . 17613 1 1159 . 1 . 1 84 84 ASP C C 13 174.308 0.400 . 1 . . . . A 84 ASP C . 17613 1 1160 . 1 . 1 84 84 ASP CA C 13 54.015 0.400 . 1 . . . . A 84 ASP CA . 17613 1 1161 . 1 . 1 84 84 ASP CB C 13 43.771 0.400 . 1 . . . . A 84 ASP CB . 17613 1 1162 . 1 . 1 84 84 ASP N N 15 124.451 0.400 . 1 . . . . A 84 ASP N . 17613 1 1163 . 1 . 1 85 85 GLN H H 1 8.617 0.020 . 1 . . . . A 85 GLN H . 17613 1 1164 . 1 . 1 85 85 GLN HA H 1 4.334 0.020 . 1 . . . . A 85 GLN HA . 17613 1 1165 . 1 . 1 85 85 GLN HB2 H 1 2.173 0.020 . 2 . . . . A 85 GLN HB2 . 17613 1 1166 . 1 . 1 85 85 GLN HB3 H 1 2.040 0.020 . 2 . . . . A 85 GLN HB3 . 17613 1 1167 . 1 . 1 85 85 GLN HG2 H 1 2.407 0.020 . 2 . . . . A 85 GLN HG2 . 17613 1 1168 . 1 . 1 85 85 GLN HG3 H 1 2.405 0.020 . 2 . . . . A 85 GLN HG3 . 17613 1 1169 . 1 . 1 85 85 GLN HE21 H 1 7.624 0.020 . 2 . . . . A 85 GLN HE21 . 17613 1 1170 . 1 . 1 85 85 GLN HE22 H 1 6.895 0.020 . 2 . . . . A 85 GLN HE22 . 17613 1 1171 . 1 . 1 85 85 GLN C C 13 175.431 0.400 . 1 . . . . A 85 GLN C . 17613 1 1172 . 1 . 1 85 85 GLN CA C 13 56.595 0.400 . 1 . . . . A 85 GLN CA . 17613 1 1173 . 1 . 1 85 85 GLN CB C 13 29.334 0.400 . 1 . . . . A 85 GLN CB . 17613 1 1174 . 1 . 1 85 85 GLN CG C 13 33.720 0.400 . 1 . . . . A 85 GLN CG . 17613 1 1175 . 1 . 1 85 85 GLN N N 15 120.202 0.400 . 1 . . . . A 85 GLN N . 17613 1 1176 . 1 . 1 85 85 GLN NE2 N 15 112.150 0.400 . 1 . . . . A 85 GLN NE2 . 17613 1 1177 . 1 . 1 86 86 ASP H H 1 8.691 0.020 . 1 . . . . A 86 ASP H . 17613 1 1178 . 1 . 1 86 86 ASP HA H 1 4.685 0.020 . 1 . . . . A 86 ASP HA . 17613 1 1179 . 1 . 1 86 86 ASP HB2 H 1 2.927 0.020 . 2 . . . . A 86 ASP HB2 . 17613 1 1180 . 1 . 1 86 86 ASP HB3 H 1 2.566 0.020 . 2 . . . . A 86 ASP HB3 . 17613 1 1181 . 1 . 1 86 86 ASP C C 13 175.747 0.400 . 1 . . . . A 86 ASP C . 17613 1 1182 . 1 . 1 86 86 ASP CA C 13 53.512 0.400 . 1 . . . . A 86 ASP CA . 17613 1 1183 . 1 . 1 86 86 ASP CB C 13 40.957 0.400 . 1 . . . . A 86 ASP CB . 17613 1 1184 . 1 . 1 86 86 ASP N N 15 120.508 0.400 . 1 . . . . A 86 ASP N . 17613 1 1185 . 1 . 1 87 87 GLU H H 1 8.642 0.020 . 1 . . . . A 87 GLU H . 17613 1 1186 . 1 . 1 87 87 GLU HA H 1 4.035 0.020 . 1 . . . . A 87 GLU HA . 17613 1 1187 . 1 . 1 87 87 GLU HB2 H 1 2.094 0.020 . 2 . . . . A 87 GLU HB2 . 17613 1 1188 . 1 . 1 87 87 GLU HB3 H 1 2.040 0.020 . 2 . . . . A 87 GLU HB3 . 17613 1 1189 . 1 . 1 87 87 GLU HG2 H 1 2.295 0.020 . 1 . . . . A 87 GLU HG2 . 17613 1 1190 . 1 . 1 87 87 GLU HG3 H 1 2.295 0.020 . 1 . . . . A 87 GLU HG3 . 17613 1 1191 . 1 . 1 87 87 GLU C C 13 177.771 0.400 . 1 . . . . A 87 GLU C . 17613 1 1192 . 1 . 1 87 87 GLU CA C 13 58.522 0.400 . 1 . . . . A 87 GLU CA . 17613 1 1193 . 1 . 1 87 87 GLU CB C 13 29.575 0.400 . 1 . . . . A 87 GLU CB . 17613 1 1194 . 1 . 1 87 87 GLU CG C 13 36.010 0.400 . 1 . . . . A 87 GLU CG . 17613 1 1195 . 1 . 1 87 87 GLU N N 15 123.604 0.400 . 1 . . . . A 87 GLU N . 17613 1 1196 . 1 . 1 88 88 ASN H H 1 8.527 0.020 . 1 . . . . A 88 ASN H . 17613 1 1197 . 1 . 1 88 88 ASN HA H 1 4.561 0.020 . 1 . . . . A 88 ASN HA . 17613 1 1198 . 1 . 1 88 88 ASN HB2 H 1 2.850 0.020 . 2 . . . . A 88 ASN HB2 . 17613 1 1199 . 1 . 1 88 88 ASN HB3 H 1 2.905 0.020 . 2 . . . . A 88 ASN HB3 . 17613 1 1200 . 1 . 1 88 88 ASN HD21 H 1 7.890 0.020 . 2 . . . . A 88 ASN HD21 . 17613 1 1201 . 1 . 1 88 88 ASN HD22 H 1 7.028 0.020 . 2 . . . . A 88 ASN HD22 . 17613 1 1202 . 1 . 1 88 88 ASN C C 13 177.089 0.400 . 1 . . . . A 88 ASN C . 17613 1 1203 . 1 . 1 88 88 ASN CA C 13 55.642 0.400 . 1 . . . . A 88 ASN CA . 17613 1 1204 . 1 . 1 88 88 ASN CB C 13 38.166 0.400 . 1 . . . . A 88 ASN CB . 17613 1 1205 . 1 . 1 88 88 ASN N N 15 118.838 0.400 . 1 . . . . A 88 ASN N . 17613 1 1206 . 1 . 1 88 88 ASN ND2 N 15 114.317 0.400 . 1 . . . . A 88 ASN ND2 . 17613 1 1207 . 1 . 1 89 89 GLU H H 1 8.221 0.020 . 1 . . . . A 89 GLU H . 17613 1 1208 . 1 . 1 89 89 GLU HA H 1 4.147 0.020 . 1 . . . . A 89 GLU HA . 17613 1 1209 . 1 . 1 89 89 GLU HB2 H 1 2.040 0.020 . 1 . . . . A 89 GLU HB2 . 17613 1 1210 . 1 . 1 89 89 GLU HB3 H 1 2.040 0.020 . 1 . . . . A 89 GLU HB3 . 17613 1 1211 . 1 . 1 89 89 GLU HG2 H 1 2.263 0.020 . 2 . . . . A 89 GLU HG2 . 17613 1 1212 . 1 . 1 89 89 GLU HG3 H 1 2.311 0.020 . 2 . . . . A 89 GLU HG3 . 17613 1 1213 . 1 . 1 89 89 GLU C C 13 178.357 0.400 . 1 . . . . A 89 GLU C . 17613 1 1214 . 1 . 1 89 89 GLU CA C 13 58.251 0.400 . 1 . . . . A 89 GLU CA . 17613 1 1215 . 1 . 1 89 89 GLU CB C 13 29.244 0.400 . 1 . . . . A 89 GLU CB . 17613 1 1216 . 1 . 1 89 89 GLU CG C 13 36.010 0.400 . 1 . . . . A 89 GLU CG . 17613 1 1217 . 1 . 1 89 89 GLU N N 15 120.947 0.400 . 1 . . . . A 89 GLU N . 17613 1 1218 . 1 . 1 90 90 LEU H H 1 8.047 0.020 . 1 . . . . A 90 LEU H . 17613 1 1219 . 1 . 1 90 90 LEU HA H 1 4.205 0.020 . 1 . . . . A 90 LEU HA . 17613 1 1220 . 1 . 1 90 90 LEU HB2 H 1 1.776 0.020 . 2 . . . . A 90 LEU HB2 . 17613 1 1221 . 1 . 1 90 90 LEU HB3 H 1 1.722 0.020 . 2 . . . . A 90 LEU HB3 . 17613 1 1222 . 1 . 1 90 90 LEU HG H 1 1.639 0.020 . 1 . . . . A 90 LEU HG . 17613 1 1223 . 1 . 1 90 90 LEU HD11 H 1 0.903 0.020 . 2 . . . . A 90 LEU HD11 . 17613 1 1224 . 1 . 1 90 90 LEU HD12 H 1 0.903 0.020 . 2 . . . . A 90 LEU HD12 . 17613 1 1225 . 1 . 1 90 90 LEU HD13 H 1 0.903 0.020 . 2 . . . . A 90 LEU HD13 . 17613 1 1226 . 1 . 1 90 90 LEU HD21 H 1 0.882 0.020 . 2 . . . . A 90 LEU HD21 . 17613 1 1227 . 1 . 1 90 90 LEU HD22 H 1 0.882 0.020 . 2 . . . . A 90 LEU HD22 . 17613 1 1228 . 1 . 1 90 90 LEU HD23 H 1 0.882 0.020 . 2 . . . . A 90 LEU HD23 . 17613 1 1229 . 1 . 1 90 90 LEU C C 13 177.917 0.400 . 1 . . . . A 90 LEU C . 17613 1 1230 . 1 . 1 90 90 LEU CA C 13 56.944 0.400 . 1 . . . . A 90 LEU CA . 17613 1 1231 . 1 . 1 90 90 LEU CB C 13 42.456 0.400 . 1 . . . . A 90 LEU CB . 17613 1 1232 . 1 . 1 90 90 LEU CG C 13 26.770 0.400 . 1 . . . . A 90 LEU CG . 17613 1 1233 . 1 . 1 90 90 LEU CD1 C 13 24.861 0.400 . 1 . . . . A 90 LEU CD1 . 17613 1 1234 . 1 . 1 90 90 LEU CD2 C 13 24.744 0.400 . 1 . . . . A 90 LEU CD2 . 17613 1 1235 . 1 . 1 90 90 LEU N N 15 119.582 0.400 . 1 . . . . A 90 LEU N . 17613 1 1236 . 1 . 1 91 91 GLU H H 1 7.940 0.020 . 1 . . . . A 91 GLU H . 17613 1 1237 . 1 . 1 91 91 GLU HA H 1 4.073 0.020 . 1 . . . . A 91 GLU HA . 17613 1 1238 . 1 . 1 91 91 GLU HB2 H 1 2.125 0.020 . 2 . . . . A 91 GLU HB2 . 17613 1 1239 . 1 . 1 91 91 GLU HB3 H 1 2.069 0.020 . 2 . . . . A 91 GLU HB3 . 17613 1 1240 . 1 . 1 91 91 GLU HG2 H 1 2.417 0.020 . 2 . . . . A 91 GLU HG2 . 17613 1 1241 . 1 . 1 91 91 GLU HG3 H 1 2.287 0.020 . 2 . . . . A 91 GLU HG3 . 17613 1 1242 . 1 . 1 91 91 GLU C C 13 178.284 0.400 . 1 . . . . A 91 GLU C . 17613 1 1243 . 1 . 1 91 91 GLU CA C 13 59.129 0.400 . 1 . . . . A 91 GLU CA . 17613 1 1244 . 1 . 1 91 91 GLU CB C 13 28.970 0.400 . 1 . . . . A 91 GLU CB . 17613 1 1245 . 1 . 1 91 91 GLU CG C 13 35.054 0.400 . 1 . . . . A 91 GLU CG . 17613 1 1246 . 1 . 1 91 91 GLU N N 15 119.029 0.400 . 1 . . . . A 91 GLU N . 17613 1 1247 . 1 . 1 92 92 GLU H H 1 8.088 0.020 . 1 . . . . A 92 GLU H . 17613 1 1248 . 1 . 1 92 92 GLU HA H 1 4.032 0.020 . 1 . . . . A 92 GLU HA . 17613 1 1249 . 1 . 1 92 92 GLU HB2 H 1 2.053 0.020 . 2 . . . . A 92 GLU HB2 . 17613 1 1250 . 1 . 1 92 92 GLU HB3 H 1 2.107 0.020 . 2 . . . . A 92 GLU HB3 . 17613 1 1251 . 1 . 1 92 92 GLU HG2 H 1 2.316 0.020 . 2 . . . . A 92 GLU HG2 . 17613 1 1252 . 1 . 1 92 92 GLU HG3 H 1 2.265 0.020 . 2 . . . . A 92 GLU HG3 . 17613 1 1253 . 1 . 1 92 92 GLU C C 13 178.103 0.400 . 1 . . . . A 92 GLU C . 17613 1 1254 . 1 . 1 92 92 GLU CA C 13 59.252 0.400 . 1 . . . . A 92 GLU CA . 17613 1 1255 . 1 . 1 92 92 GLU CB C 13 28.932 0.400 . 1 . . . . A 92 GLU CB . 17613 1 1256 . 1 . 1 92 92 GLU CG C 13 36.010 0.400 . 1 . . . . A 92 GLU CG . 17613 1 1257 . 1 . 1 92 92 GLU N N 15 118.667 0.400 . 1 . . . . A 92 GLU N . 17613 1 1258 . 1 . 1 93 93 PHE H H 1 8.103 0.020 . 1 . . . . A 93 PHE H . 17613 1 1259 . 1 . 1 93 93 PHE HA H 1 4.340 0.020 . 1 . . . . A 93 PHE HA . 17613 1 1260 . 1 . 1 93 93 PHE HB2 H 1 3.295 0.020 . 2 . . . . A 93 PHE HB2 . 17613 1 1261 . 1 . 1 93 93 PHE HB3 H 1 3.036 0.020 . 2 . . . . A 93 PHE HB3 . 17613 1 1262 . 1 . 1 93 93 PHE HD1 H 1 7.221 0.020 . 1 . . . . A 93 PHE HD1 . 17613 1 1263 . 1 . 1 93 93 PHE HD2 H 1 7.221 0.020 . 1 . . . . A 93 PHE HD2 . 17613 1 1264 . 1 . 1 93 93 PHE HE1 H 1 7.136 0.020 . 1 . . . . A 93 PHE HE1 . 17613 1 1265 . 1 . 1 93 93 PHE HE2 H 1 7.136 0.020 . 1 . . . . A 93 PHE HE2 . 17613 1 1266 . 1 . 1 93 93 PHE HZ H 1 7.083 0.020 . 1 . . . . A 93 PHE HZ . 17613 1 1267 . 1 . 1 93 93 PHE C C 13 176.894 0.400 . 1 . . . . A 93 PHE C . 17613 1 1268 . 1 . 1 93 93 PHE CA C 13 60.445 0.400 . 1 . . . . A 93 PHE CA . 17613 1 1269 . 1 . 1 93 93 PHE CB C 13 38.987 0.400 . 1 . . . . A 93 PHE CB . 17613 1 1270 . 1 . 1 93 93 PHE CD1 C 13 131.517 0.400 . 1 . . . . A 93 PHE CD1 . 17613 1 1271 . 1 . 1 93 93 PHE CD2 C 13 131.641 0.400 . 1 . . . . A 93 PHE CD2 . 17613 1 1272 . 1 . 1 93 93 PHE CE1 C 13 130.552 0.400 . 1 . . . . A 93 PHE CE1 . 17613 1 1273 . 1 . 1 93 93 PHE CE2 C 13 130.600 0.400 . 1 . . . . A 93 PHE CE2 . 17613 1 1274 . 1 . 1 93 93 PHE CZ C 13 129.169 0.400 . 1 . . . . A 93 PHE CZ . 17613 1 1275 . 1 . 1 93 93 PHE N N 15 120.118 0.400 . 1 . . . . A 93 PHE N . 17613 1 1276 . 1 . 1 94 94 LYS H H 1 8.606 0.020 . 1 . . . . A 94 LYS H . 17613 1 1277 . 1 . 1 94 94 LYS HA H 1 3.617 0.020 . 1 . . . . A 94 LYS HA . 17613 1 1278 . 1 . 1 94 94 LYS HB2 H 1 2.070 0.020 . 2 . . . . A 94 LYS HB2 . 17613 1 1279 . 1 . 1 94 94 LYS HB3 H 1 1.735 0.020 . 2 . . . . A 94 LYS HB3 . 17613 1 1280 . 1 . 1 94 94 LYS HG2 H 1 1.369 0.020 . 2 . . . . A 94 LYS HG2 . 17613 1 1281 . 1 . 1 94 94 LYS HG3 H 1 1.321 0.020 . 2 . . . . A 94 LYS HG3 . 17613 1 1282 . 1 . 1 94 94 LYS HD2 H 1 1.537 0.020 . 1 . . . . A 94 LYS HD2 . 17613 1 1283 . 1 . 1 94 94 LYS HD3 H 1 1.537 0.020 . 1 . . . . A 94 LYS HD3 . 17613 1 1284 . 1 . 1 94 94 LYS HE2 H 1 3.019 0.020 . 2 . . . . A 94 LYS HE2 . 17613 1 1285 . 1 . 1 94 94 LYS HE3 H 1 2.917 0.020 . 2 . . . . A 94 LYS HE3 . 17613 1 1286 . 1 . 1 94 94 LYS C C 13 177.600 0.400 . 1 . . . . A 94 LYS C . 17613 1 1287 . 1 . 1 94 94 LYS CA C 13 60.076 0.400 . 1 . . . . A 94 LYS CA . 17613 1 1288 . 1 . 1 94 94 LYS CB C 13 32.465 0.400 . 1 . . . . A 94 LYS CB . 17613 1 1289 . 1 . 1 94 94 LYS CG C 13 24.715 0.400 . 1 . . . . A 94 LYS CG . 17613 1 1290 . 1 . 1 94 94 LYS CD C 13 30.102 0.400 . 1 . . . . A 94 LYS CD . 17613 1 1291 . 1 . 1 94 94 LYS CE C 13 41.780 0.400 . 1 . . . . A 94 LYS CE . 17613 1 1292 . 1 . 1 94 94 LYS N N 15 118.941 0.400 . 1 . . . . A 94 LYS N . 17613 1 1293 . 1 . 1 95 95 ARG H H 1 8.159 0.020 . 1 . . . . A 95 ARG H . 17613 1 1294 . 1 . 1 95 95 ARG HA H 1 4.150 0.020 . 1 . . . . A 95 ARG HA . 17613 1 1295 . 1 . 1 95 95 ARG HB2 H 1 1.897 0.020 . 2 . . . . A 95 ARG HB2 . 17613 1 1296 . 1 . 1 95 95 ARG HB3 H 1 1.970 0.020 . 2 . . . . A 95 ARG HB3 . 17613 1 1297 . 1 . 1 95 95 ARG HG2 H 1 1.876 0.020 . 2 . . . . A 95 ARG HG2 . 17613 1 1298 . 1 . 1 95 95 ARG HG3 H 1 1.675 0.020 . 2 . . . . A 95 ARG HG3 . 17613 1 1299 . 1 . 1 95 95 ARG HD2 H 1 3.222 0.020 . 1 . . . . A 95 ARG HD2 . 17613 1 1300 . 1 . 1 95 95 ARG HD3 H 1 3.223 0.020 . 1 . . . . A 95 ARG HD3 . 17613 1 1301 . 1 . 1 95 95 ARG C C 13 179.404 0.400 . 1 . . . . A 95 ARG C . 17613 1 1302 . 1 . 1 95 95 ARG CA C 13 59.103 0.400 . 1 . . . . A 95 ARG CA . 17613 1 1303 . 1 . 1 95 95 ARG CB C 13 29.819 0.400 . 1 . . . . A 95 ARG CB . 17613 1 1304 . 1 . 1 95 95 ARG CG C 13 27.310 0.400 . 1 . . . . A 95 ARG CG . 17613 1 1305 . 1 . 1 95 95 ARG CD C 13 43.413 0.400 . 1 . . . . A 95 ARG CD . 17613 1 1306 . 1 . 1 95 95 ARG N N 15 117.194 0.400 . 1 . . . . A 95 ARG N . 17613 1 1307 . 1 . 1 96 96 LYS H H 1 7.786 0.020 . 1 . . . . A 96 LYS H . 17613 1 1308 . 1 . 1 96 96 LYS HA H 1 4.065 0.020 . 1 . . . . A 96 LYS HA . 17613 1 1309 . 1 . 1 96 96 LYS HB2 H 1 1.901 0.020 . 2 . . . . A 96 LYS HB2 . 17613 1 1310 . 1 . 1 96 96 LYS HB3 H 1 1.971 0.020 . 2 . . . . A 96 LYS HB3 . 17613 1 1311 . 1 . 1 96 96 LYS HG2 H 1 1.440 0.020 . 2 . . . . A 96 LYS HG2 . 17613 1 1312 . 1 . 1 96 96 LYS HG3 H 1 1.570 0.020 . 2 . . . . A 96 LYS HG3 . 17613 1 1313 . 1 . 1 96 96 LYS HD2 H 1 1.680 0.020 . 2 . . . . A 96 LYS HD2 . 17613 1 1314 . 1 . 1 96 96 LYS HD3 H 1 1.682 0.020 . 2 . . . . A 96 LYS HD3 . 17613 1 1315 . 1 . 1 96 96 LYS HE2 H 1 2.930 0.020 . 1 . . . . A 96 LYS HE2 . 17613 1 1316 . 1 . 1 96 96 LYS HE3 H 1 2.930 0.020 . 1 . . . . A 96 LYS HE3 . 17613 1 1317 . 1 . 1 96 96 LYS C C 13 179.034 0.400 . 1 . . . . A 96 LYS C . 17613 1 1318 . 1 . 1 96 96 LYS CA C 13 58.934 0.400 . 1 . . . . A 96 LYS CA . 17613 1 1319 . 1 . 1 96 96 LYS CB C 13 32.069 0.400 . 1 . . . . A 96 LYS CB . 17613 1 1320 . 1 . 1 96 96 LYS CG C 13 24.910 0.400 . 1 . . . . A 96 LYS CG . 17613 1 1321 . 1 . 1 96 96 LYS CD C 13 28.889 0.400 . 1 . . . . A 96 LYS CD . 17613 1 1322 . 1 . 1 96 96 LYS CE C 13 41.780 0.400 . 1 . . . . A 96 LYS CE . 17613 1 1323 . 1 . 1 96 96 LYS N N 15 119.582 0.400 . 1 . . . . A 96 LYS N . 17613 1 1324 . 1 . 1 97 97 ILE H H 1 7.831 0.020 . 1 . . . . A 97 ILE H . 17613 1 1325 . 1 . 1 97 97 ILE HA H 1 3.938 0.020 . 1 . . . . A 97 ILE HA . 17613 1 1326 . 1 . 1 97 97 ILE HB H 1 1.808 0.020 . 1 . . . . A 97 ILE HB . 17613 1 1327 . 1 . 1 97 97 ILE HG12 H 1 1.003 0.020 . 2 . . . . A 97 ILE HG12 . 17613 1 1328 . 1 . 1 97 97 ILE HG13 H 1 0.925 0.020 . 2 . . . . A 97 ILE HG13 . 17613 1 1329 . 1 . 1 97 97 ILE HG21 H 1 0.682 0.020 . 1 . . . . A 97 ILE HG21 . 17613 1 1330 . 1 . 1 97 97 ILE HG22 H 1 0.682 0.020 . 1 . . . . A 97 ILE HG22 . 17613 1 1331 . 1 . 1 97 97 ILE HG23 H 1 0.682 0.020 . 1 . . . . A 97 ILE HG23 . 17613 1 1332 . 1 . 1 97 97 ILE HD11 H 1 0.363 0.020 . 1 . . . . A 97 ILE HD11 . 17613 1 1333 . 1 . 1 97 97 ILE HD12 H 1 0.363 0.020 . 1 . . . . A 97 ILE HD12 . 17613 1 1334 . 1 . 1 97 97 ILE HD13 H 1 0.363 0.020 . 1 . . . . A 97 ILE HD13 . 17613 1 1335 . 1 . 1 97 97 ILE C C 13 178.284 0.400 . 1 . . . . A 97 ILE C . 17613 1 1336 . 1 . 1 97 97 ILE CA C 13 62.569 0.400 . 1 . . . . A 97 ILE CA . 17613 1 1337 . 1 . 1 97 97 ILE CB C 13 37.206 0.400 . 1 . . . . A 97 ILE CB . 17613 1 1338 . 1 . 1 97 97 ILE CG1 C 13 27.265 0.400 . 1 . . . . A 97 ILE CG1 . 17613 1 1339 . 1 . 1 97 97 ILE CG2 C 13 18.753 0.400 . 1 . . . . A 97 ILE CG2 . 17613 1 1340 . 1 . 1 97 97 ILE CD1 C 13 11.899 0.400 . 1 . . . . A 97 ILE CD1 . 17613 1 1341 . 1 . 1 97 97 ILE N N 15 118.550 0.400 . 1 . . . . A 97 ILE N . 17613 1 1342 . 1 . 1 98 98 GLU H H 1 8.670 0.020 . 1 . . . . A 98 GLU H . 17613 1 1343 . 1 . 1 98 98 GLU HA H 1 4.336 0.020 . 1 . . . . A 98 GLU HA . 17613 1 1344 . 1 . 1 98 98 GLU HB2 H 1 2.179 0.020 . 2 . . . . A 98 GLU HB2 . 17613 1 1345 . 1 . 1 98 98 GLU HB3 H 1 2.053 0.020 . 2 . . . . A 98 GLU HB3 . 17613 1 1346 . 1 . 1 98 98 GLU HG2 H 1 2.377 0.020 . 2 . . . . A 98 GLU HG2 . 17613 1 1347 . 1 . 1 98 98 GLU HG3 H 1 2.437 0.020 . 2 . . . . A 98 GLU HG3 . 17613 1 1348 . 1 . 1 98 98 GLU C C 13 180.040 0.400 . 1 . . . . A 98 GLU C . 17613 1 1349 . 1 . 1 98 98 GLU CA C 13 58.950 0.400 . 1 . . . . A 98 GLU CA . 17613 1 1350 . 1 . 1 98 98 GLU CB C 13 29.435 0.400 . 1 . . . . A 98 GLU CB . 17613 1 1351 . 1 . 1 98 98 GLU CG C 13 36.433 0.400 . 1 . . . . A 98 GLU CG . 17613 1 1352 . 1 . 1 98 98 GLU N N 15 121.984 0.400 . 1 . . . . A 98 GLU N . 17613 1 1353 . 1 . 1 99 99 SER H H 1 8.099 0.020 . 1 . . . . A 99 SER H . 17613 1 1354 . 1 . 1 99 99 SER HA H 1 4.343 0.020 . 1 . . . . A 99 SER HA . 17613 1 1355 . 1 . 1 99 99 SER HB2 H 1 3.996 0.020 . 1 . . . . A 99 SER HB2 . 17613 1 1356 . 1 . 1 99 99 SER HB3 H 1 3.996 0.020 . 1 . . . . A 99 SER HB3 . 17613 1 1357 . 1 . 1 99 99 SER C C 13 174.820 0.400 . 1 . . . . A 99 SER C . 17613 1 1358 . 1 . 1 99 99 SER CA C 13 60.410 0.400 . 1 . . . . A 99 SER CA . 17613 1 1359 . 1 . 1 99 99 SER CB C 13 62.680 0.400 . 1 . . . . A 99 SER CB . 17613 1 1360 . 1 . 1 99 99 SER N N 15 115.499 0.400 . 1 . . . . A 99 SER N . 17613 1 1361 . 1 . 1 100 100 GLN H H 1 7.623 0.020 . 1 . . . . A 100 GLN H . 17613 1 1362 . 1 . 1 100 100 GLN HA H 1 4.310 0.020 . 1 . . . . A 100 GLN HA . 17613 1 1363 . 1 . 1 100 100 GLN HB2 H 1 2.210 0.020 . 2 . . . . A 100 GLN HB2 . 17613 1 1364 . 1 . 1 100 100 GLN HB3 H 1 2.048 0.020 . 2 . . . . A 100 GLN HB3 . 17613 1 1365 . 1 . 1 100 100 GLN HG2 H 1 2.441 0.020 . 2 . . . . A 100 GLN HG2 . 17613 1 1366 . 1 . 1 100 100 GLN HG3 H 1 2.351 0.020 . 2 . . . . A 100 GLN HG3 . 17613 1 1367 . 1 . 1 100 100 GLN HE21 H 1 7.286 0.020 . 2 . . . . A 100 GLN HE21 . 17613 1 1368 . 1 . 1 100 100 GLN HE22 H 1 6.755 0.020 . 2 . . . . A 100 GLN HE22 . 17613 1 1369 . 1 . 1 100 100 GLN C C 13 175.857 0.400 . 1 . . . . A 100 GLN C . 17613 1 1370 . 1 . 1 100 100 GLN CA C 13 55.926 0.400 . 1 . . . . A 100 GLN CA . 17613 1 1371 . 1 . 1 100 100 GLN CB C 13 29.212 0.400 . 1 . . . . A 100 GLN CB . 17613 1 1372 . 1 . 1 100 100 GLN CG C 13 34.179 0.400 . 1 . . . . A 100 GLN CG . 17613 1 1373 . 1 . 1 100 100 GLN N N 15 119.301 0.400 . 1 . . . . A 100 GLN N . 17613 1 1374 . 1 . 1 100 100 GLN NE2 N 15 110.232 0.400 . 1 . . . . A 100 GLN NE2 . 17613 1 1375 . 1 . 1 101 101 GLY H H 1 7.945 0.020 . 1 . . . . A 101 GLY H . 17613 1 1376 . 1 . 1 101 101 GLY HA2 H 1 3.722 0.020 . 2 . . . . A 101 GLY HA2 . 17613 1 1377 . 1 . 1 101 101 GLY HA3 H 1 4.009 0.020 . 2 . . . . A 101 GLY HA3 . 17613 1 1378 . 1 . 1 101 101 GLY C C 13 173.748 0.400 . 1 . . . . A 101 GLY C . 17613 1 1379 . 1 . 1 101 101 GLY CA C 13 45.203 0.400 . 1 . . . . A 101 GLY CA . 17613 1 1380 . 1 . 1 101 101 GLY N N 15 105.765 0.400 . 1 . . . . A 101 GLY N . 17613 1 1381 . 1 . 1 102 102 TYR H H 1 6.890 0.020 . 1 . . . . A 102 TYR H . 17613 1 1382 . 1 . 1 102 102 TYR HA H 1 4.672 0.020 . 1 . . . . A 102 TYR HA . 17613 1 1383 . 1 . 1 102 102 TYR HB2 H 1 2.472 0.020 . 2 . . . . A 102 TYR HB2 . 17613 1 1384 . 1 . 1 102 102 TYR HB3 H 1 2.751 0.020 . 2 . . . . A 102 TYR HB3 . 17613 1 1385 . 1 . 1 102 102 TYR HD1 H 1 6.984 0.020 . 1 . . . . A 102 TYR HD1 . 17613 1 1386 . 1 . 1 102 102 TYR HD2 H 1 6.984 0.020 . 1 . . . . A 102 TYR HD2 . 17613 1 1387 . 1 . 1 102 102 TYR HE1 H 1 6.716 0.020 . 1 . . . . A 102 TYR HE1 . 17613 1 1388 . 1 . 1 102 102 TYR HE2 H 1 6.716 0.020 . 1 . . . . A 102 TYR HE2 . 17613 1 1389 . 1 . 1 102 102 TYR C C 13 174.747 0.400 . 1 . . . . A 102 TYR C . 17613 1 1390 . 1 . 1 102 102 TYR CA C 13 56.254 0.400 . 1 . . . . A 102 TYR CA . 17613 1 1391 . 1 . 1 102 102 TYR CB C 13 39.048 0.400 . 1 . . . . A 102 TYR CB . 17613 1 1392 . 1 . 1 102 102 TYR CD1 C 13 132.425 0.400 . 1 . . . . A 102 TYR CD1 . 17613 1 1393 . 1 . 1 102 102 TYR CD2 C 13 132.425 0.400 . 1 . . . . A 102 TYR CD2 . 17613 1 1394 . 1 . 1 102 102 TYR CE1 C 13 118.203 0.400 . 1 . . . . A 102 TYR CE1 . 17613 1 1395 . 1 . 1 102 102 TYR CE2 C 13 118.264 0.400 . 1 . . . . A 102 TYR CE2 . 17613 1 1396 . 1 . 1 102 102 TYR N N 15 117.993 0.400 . 1 . . . . A 102 TYR N . 17613 1 1397 . 1 . 1 103 103 GLU H H 1 8.318 0.020 . 1 . . . . A 103 GLU H . 17613 1 1398 . 1 . 1 103 103 GLU HA H 1 4.507 0.020 . 1 . . . . A 103 GLU HA . 17613 1 1399 . 1 . 1 103 103 GLU HB2 H 1 2.087 0.020 . 2 . . . . A 103 GLU HB2 . 17613 1 1400 . 1 . 1 103 103 GLU HB3 H 1 1.987 0.020 . 2 . . . . A 103 GLU HB3 . 17613 1 1401 . 1 . 1 103 103 GLU HG2 H 1 2.256 0.020 . 2 . . . . A 103 GLU HG2 . 17613 1 1402 . 1 . 1 103 103 GLU HG3 H 1 2.323 0.020 . 2 . . . . A 103 GLU HG3 . 17613 1 1403 . 1 . 1 103 103 GLU C C 13 174.162 0.400 . 1 . . . . A 103 GLU C . 17613 1 1404 . 1 . 1 103 103 GLU CA C 13 56.384 0.400 . 1 . . . . A 103 GLU CA . 17613 1 1405 . 1 . 1 103 103 GLU CB C 13 30.371 0.400 . 1 . . . . A 103 GLU CB . 17613 1 1406 . 1 . 1 103 103 GLU CG C 13 36.249 0.400 . 1 . . . . A 103 GLU CG . 17613 1 1407 . 1 . 1 103 103 GLU N N 15 122.864 0.400 . 1 . . . . A 103 GLU N . 17613 1 1408 . 1 . 1 104 104 VAL H H 1 8.651 0.020 . 1 . . . . A 104 VAL H . 17613 1 1409 . 1 . 1 104 104 VAL HA H 1 5.228 0.020 . 1 . . . . A 104 VAL HA . 17613 1 1410 . 1 . 1 104 104 VAL HB H 1 1.946 0.020 . 1 . . . . A 104 VAL HB . 17613 1 1411 . 1 . 1 104 104 VAL HG11 H 1 0.929 0.020 . 2 . . . . A 104 VAL HG11 . 17613 1 1412 . 1 . 1 104 104 VAL HG12 H 1 0.929 0.020 . 2 . . . . A 104 VAL HG12 . 17613 1 1413 . 1 . 1 104 104 VAL HG13 H 1 0.929 0.020 . 2 . . . . A 104 VAL HG13 . 17613 1 1414 . 1 . 1 104 104 VAL HG21 H 1 0.884 0.020 . 2 . . . . A 104 VAL HG21 . 17613 1 1415 . 1 . 1 104 104 VAL HG22 H 1 0.884 0.020 . 2 . . . . A 104 VAL HG22 . 17613 1 1416 . 1 . 1 104 104 VAL HG23 H 1 0.884 0.020 . 2 . . . . A 104 VAL HG23 . 17613 1 1417 . 1 . 1 104 104 VAL C C 13 174.235 0.400 . 1 . . . . A 104 VAL C . 17613 1 1418 . 1 . 1 104 104 VAL CA C 13 59.280 0.400 . 1 . . . . A 104 VAL CA . 17613 1 1419 . 1 . 1 104 104 VAL CB C 13 34.167 0.400 . 1 . . . . A 104 VAL CB . 17613 1 1420 . 1 . 1 104 104 VAL CG1 C 13 20.686 0.400 . 1 . . . . A 104 VAL CG1 . 17613 1 1421 . 1 . 1 104 104 VAL CG2 C 13 22.008 0.400 . 1 . . . . A 104 VAL CG2 . 17613 1 1422 . 1 . 1 104 104 VAL N N 15 124.342 0.400 . 1 . . . . A 104 VAL N . 17613 1 1423 . 1 . 1 105 105 ARG H H 1 8.705 0.020 . 1 . . . . A 105 ARG H . 17613 1 1424 . 1 . 1 105 105 ARG HA H 1 4.915 0.020 . 1 . . . . A 105 ARG HA . 17613 1 1425 . 1 . 1 105 105 ARG HB2 H 1 1.857 0.020 . 2 . . . . A 105 ARG HB2 . 17613 1 1426 . 1 . 1 105 105 ARG HB3 H 1 1.816 0.020 . 2 . . . . A 105 ARG HB3 . 17613 1 1427 . 1 . 1 105 105 ARG HG2 H 1 1.805 0.020 . 2 . . . . A 105 ARG HG2 . 17613 1 1428 . 1 . 1 105 105 ARG HG3 H 1 1.752 0.020 . 2 . . . . A 105 ARG HG3 . 17613 1 1429 . 1 . 1 105 105 ARG HD2 H 1 3.515 0.020 . 2 . . . . A 105 ARG HD2 . 17613 1 1430 . 1 . 1 105 105 ARG HD3 H 1 3.339 0.020 . 2 . . . . A 105 ARG HD3 . 17613 1 1431 . 1 . 1 105 105 ARG HE H 1 7.599 0.020 . 1 . . . . A 105 ARG HE . 17613 1 1432 . 1 . 1 105 105 ARG C C 13 173.917 0.400 . 1 . . . . A 105 ARG C . 17613 1 1433 . 1 . 1 105 105 ARG CA C 13 52.465 0.400 . 1 . . . . A 105 ARG CA . 17613 1 1434 . 1 . 1 105 105 ARG CB C 13 32.955 0.400 . 1 . . . . A 105 ARG CB . 17613 1 1435 . 1 . 1 105 105 ARG CG C 13 26.576 0.400 . 1 . . . . A 105 ARG CG . 17613 1 1436 . 1 . 1 105 105 ARG CD C 13 41.442 0.400 . 1 . . . . A 105 ARG CD . 17613 1 1437 . 1 . 1 105 105 ARG N N 15 124.856 0.400 . 1 . . . . A 105 ARG N . 17613 1 1438 . 1 . 1 105 105 ARG NE N 15 82.387 0.400 . 1 . . . . A 105 ARG NE . 17613 1 1439 . 1 . 1 106 106 LYS H H 1 8.807 0.020 . 1 . . . . A 106 LYS H . 17613 1 1440 . 1 . 1 106 106 LYS HA H 1 5.578 0.020 . 1 . . . . A 106 LYS HA . 17613 1 1441 . 1 . 1 106 106 LYS HB2 H 1 1.716 0.020 . 2 . . . . A 106 LYS HB2 . 17613 1 1442 . 1 . 1 106 106 LYS HB3 H 1 1.714 0.020 . 2 . . . . A 106 LYS HB3 . 17613 1 1443 . 1 . 1 106 106 LYS HG2 H 1 1.460 0.020 . 2 . . . . A 106 LYS HG2 . 17613 1 1444 . 1 . 1 106 106 LYS HG3 H 1 1.402 0.020 . 2 . . . . A 106 LYS HG3 . 17613 1 1445 . 1 . 1 106 106 LYS HD2 H 1 1.561 0.020 . 1 . . . . A 106 LYS HD2 . 17613 1 1446 . 1 . 1 106 106 LYS HD3 H 1 1.562 0.020 . 1 . . . . A 106 LYS HD3 . 17613 1 1447 . 1 . 1 106 106 LYS HE2 H 1 2.952 0.020 . 1 . . . . A 106 LYS HE2 . 17613 1 1448 . 1 . 1 106 106 LYS HE3 H 1 2.953 0.020 . 1 . . . . A 106 LYS HE3 . 17613 1 1449 . 1 . 1 106 106 LYS C C 13 174.820 0.400 . 1 . . . . A 106 LYS C . 17613 1 1450 . 1 . 1 106 106 LYS CA C 13 53.868 0.400 . 1 . . . . A 106 LYS CA . 17613 1 1451 . 1 . 1 106 106 LYS CB C 13 35.299 0.400 . 1 . . . . A 106 LYS CB . 17613 1 1452 . 1 . 1 106 106 LYS CG C 13 24.003 0.400 . 1 . . . . A 106 LYS CG . 17613 1 1453 . 1 . 1 106 106 LYS CD C 13 29.231 0.400 . 1 . . . . A 106 LYS CD . 17613 1 1454 . 1 . 1 106 106 LYS CE C 13 41.780 0.400 . 1 . . . . A 106 LYS CE . 17613 1 1455 . 1 . 1 106 106 LYS N N 15 121.499 0.400 . 1 . . . . A 106 LYS N . 17613 1 1456 . 1 . 1 107 107 VAL H H 1 8.555 0.020 . 1 . . . . A 107 VAL H . 17613 1 1457 . 1 . 1 107 107 VAL HA H 1 4.615 0.020 . 1 . . . . A 107 VAL HA . 17613 1 1458 . 1 . 1 107 107 VAL HB H 1 2.116 0.020 . 1 . . . . A 107 VAL HB . 17613 1 1459 . 1 . 1 107 107 VAL HG11 H 1 0.763 0.020 . 2 . . . . A 107 VAL HG11 . 17613 1 1460 . 1 . 1 107 107 VAL HG12 H 1 0.763 0.020 . 2 . . . . A 107 VAL HG12 . 17613 1 1461 . 1 . 1 107 107 VAL HG13 H 1 0.763 0.020 . 2 . . . . A 107 VAL HG13 . 17613 1 1462 . 1 . 1 107 107 VAL HG21 H 1 0.868 0.020 . 2 . . . . A 107 VAL HG21 . 17613 1 1463 . 1 . 1 107 107 VAL HG22 H 1 0.868 0.020 . 2 . . . . A 107 VAL HG22 . 17613 1 1464 . 1 . 1 107 107 VAL HG23 H 1 0.868 0.020 . 2 . . . . A 107 VAL HG23 . 17613 1 1465 . 1 . 1 107 107 VAL C C 13 173.332 0.400 . 1 . . . . A 107 VAL C . 17613 1 1466 . 1 . 1 107 107 VAL CA C 13 60.222 0.400 . 1 . . . . A 107 VAL CA . 17613 1 1467 . 1 . 1 107 107 VAL CB C 13 35.234 0.400 . 1 . . . . A 107 VAL CB . 17613 1 1468 . 1 . 1 107 107 VAL CG1 C 13 21.723 0.400 . 1 . . . . A 107 VAL CG1 . 17613 1 1469 . 1 . 1 107 107 VAL CG2 C 13 20.759 0.400 . 1 . . . . A 107 VAL CG2 . 17613 1 1470 . 1 . 1 107 107 VAL N N 15 118.792 0.400 . 1 . . . . A 107 VAL N . 17613 1 1471 . 1 . 1 108 108 THR H H 1 8.604 0.020 . 1 . . . . A 108 THR H . 17613 1 1472 . 1 . 1 108 108 THR HA H 1 4.781 0.020 . 1 . . . . A 108 THR HA . 17613 1 1473 . 1 . 1 108 108 THR HB H 1 4.218 0.020 . 1 . . . . A 108 THR HB . 17613 1 1474 . 1 . 1 108 108 THR HG21 H 1 1.248 0.020 . 1 . . . . A 108 THR HG21 . 17613 1 1475 . 1 . 1 108 108 THR HG22 H 1 1.248 0.020 . 1 . . . . A 108 THR HG22 . 17613 1 1476 . 1 . 1 108 108 THR HG23 H 1 1.248 0.020 . 1 . . . . A 108 THR HG23 . 17613 1 1477 . 1 . 1 108 108 THR C C 13 174.625 0.400 . 1 . . . . A 108 THR C . 17613 1 1478 . 1 . 1 108 108 THR CA C 13 62.221 0.400 . 1 . . . . A 108 THR CA . 17613 1 1479 . 1 . 1 108 108 THR CB C 13 69.975 0.400 . 1 . . . . A 108 THR CB . 17613 1 1480 . 1 . 1 108 108 THR CG2 C 13 21.440 0.400 . 1 . . . . A 108 THR CG2 . 17613 1 1481 . 1 . 1 108 108 THR N N 15 114.072 0.400 . 1 . . . . A 108 THR N . 17613 1 1482 . 1 . 1 109 109 ASP H H 1 8.036 0.020 . 1 . . . . A 109 ASP H . 17613 1 1483 . 1 . 1 109 109 ASP HA H 1 4.738 0.020 . 1 . . . . A 109 ASP HA . 17613 1 1484 . 1 . 1 109 109 ASP HB2 H 1 2.816 0.020 . 2 . . . . A 109 ASP HB2 . 17613 1 1485 . 1 . 1 109 109 ASP HB3 H 1 2.729 0.020 . 2 . . . . A 109 ASP HB3 . 17613 1 1486 . 1 . 1 109 109 ASP C C 13 175.796 0.400 . 1 . . . . A 109 ASP C . 17613 1 1487 . 1 . 1 109 109 ASP CA C 13 53.849 0.400 . 1 . . . . A 109 ASP CA . 17613 1 1488 . 1 . 1 109 109 ASP CB C 13 43.688 0.400 . 1 . . . . A 109 ASP CB . 17613 1 1489 . 1 . 1 109 109 ASP N N 15 122.574 0.400 . 1 . . . . A 109 ASP N . 17613 1 1490 . 1 . 1 110 110 ASP H H 1 8.696 0.020 . 1 . . . . A 110 ASP H . 17613 1 1491 . 1 . 1 110 110 ASP HA H 1 4.095 0.020 . 1 . . . . A 110 ASP HA . 17613 1 1492 . 1 . 1 110 110 ASP HB2 H 1 2.416 0.020 . 2 . . . . A 110 ASP HB2 . 17613 1 1493 . 1 . 1 110 110 ASP HB3 H 1 2.681 0.020 . 2 . . . . A 110 ASP HB3 . 17613 1 1494 . 1 . 1 110 110 ASP C C 13 177.527 0.400 . 1 . . . . A 110 ASP C . 17613 1 1495 . 1 . 1 110 110 ASP CA C 13 57.388 0.400 . 1 . . . . A 110 ASP CA . 17613 1 1496 . 1 . 1 110 110 ASP CB C 13 40.301 0.400 . 1 . . . . A 110 ASP CB . 17613 1 1497 . 1 . 1 110 110 ASP N N 15 122.852 0.400 . 1 . . . . A 110 ASP N . 17613 1 1498 . 1 . 1 111 111 GLU H H 1 8.213 0.020 . 1 . . . . A 111 GLU H . 17613 1 1499 . 1 . 1 111 111 GLU HA H 1 3.988 0.020 . 1 . . . . A 111 GLU HA . 17613 1 1500 . 1 . 1 111 111 GLU HB2 H 1 2.099 0.020 . 2 . . . . A 111 GLU HB2 . 17613 1 1501 . 1 . 1 111 111 GLU HB3 H 1 2.023 0.020 . 2 . . . . A 111 GLU HB3 . 17613 1 1502 . 1 . 1 111 111 GLU HG2 H 1 2.287 0.020 . 2 . . . . A 111 GLU HG2 . 17613 1 1503 . 1 . 1 111 111 GLU HG3 H 1 2.269 0.020 . 2 . . . . A 111 GLU HG3 . 17613 1 1504 . 1 . 1 111 111 GLU C C 13 179.942 0.400 . 1 . . . . A 111 GLU C . 17613 1 1505 . 1 . 1 111 111 GLU CA C 13 59.357 0.400 . 1 . . . . A 111 GLU CA . 17613 1 1506 . 1 . 1 111 111 GLU CB C 13 28.496 0.400 . 1 . . . . A 111 GLU CB . 17613 1 1507 . 1 . 1 111 111 GLU CG C 13 36.010 0.400 . 1 . . . . A 111 GLU CG . 17613 1 1508 . 1 . 1 111 111 GLU N N 15 119.144 0.400 . 1 . . . . A 111 GLU N . 17613 1 1509 . 1 . 1 112 112 GLU H H 1 8.234 0.020 . 1 . . . . A 112 GLU H . 17613 1 1510 . 1 . 1 112 112 GLU HA H 1 3.997 0.020 . 1 . . . . A 112 GLU HA . 17613 1 1511 . 1 . 1 112 112 GLU HB2 H 1 2.084 0.020 . 1 . . . . A 112 GLU HB2 . 17613 1 1512 . 1 . 1 112 112 GLU HB3 H 1 2.083 0.020 . 1 . . . . A 112 GLU HB3 . 17613 1 1513 . 1 . 1 112 112 GLU HG2 H 1 2.337 0.020 . 1 . . . . A 112 GLU HG2 . 17613 1 1514 . 1 . 1 112 112 GLU HG3 H 1 2.338 0.020 . 1 . . . . A 112 GLU HG3 . 17613 1 1515 . 1 . 1 112 112 GLU C C 13 178.430 0.400 . 1 . . . . A 112 GLU C . 17613 1 1516 . 1 . 1 112 112 GLU CA C 13 58.749 0.400 . 1 . . . . A 112 GLU CA . 17613 1 1517 . 1 . 1 112 112 GLU CB C 13 29.194 0.400 . 1 . . . . A 112 GLU CB . 17613 1 1518 . 1 . 1 112 112 GLU CG C 13 36.010 0.400 . 1 . . . . A 112 GLU CG . 17613 1 1519 . 1 . 1 112 112 GLU N N 15 121.400 0.400 . 1 . . . . A 112 GLU N . 17613 1 1520 . 1 . 1 113 113 ALA H H 1 8.118 0.020 . 1 . . . . A 113 ALA H . 17613 1 1521 . 1 . 1 113 113 ALA HA H 1 3.800 0.020 . 1 . . . . A 113 ALA HA . 17613 1 1522 . 1 . 1 113 113 ALA HB1 H 1 1.410 0.020 . 1 . . . . A 113 ALA HB1 . 17613 1 1523 . 1 . 1 113 113 ALA HB2 H 1 1.410 0.020 . 1 . . . . A 113 ALA HB2 . 17613 1 1524 . 1 . 1 113 113 ALA HB3 H 1 1.410 0.020 . 1 . . . . A 113 ALA HB3 . 17613 1 1525 . 1 . 1 113 113 ALA C C 13 178.430 0.400 . 1 . . . . A 113 ALA C . 17613 1 1526 . 1 . 1 113 113 ALA CA C 13 55.382 0.400 . 1 . . . . A 113 ALA CA . 17613 1 1527 . 1 . 1 113 113 ALA CB C 13 18.602 0.400 . 1 . . . . A 113 ALA CB . 17613 1 1528 . 1 . 1 113 113 ALA N N 15 120.316 0.400 . 1 . . . . A 113 ALA N . 17613 1 1529 . 1 . 1 114 114 LEU H H 1 7.743 0.020 . 1 . . . . A 114 LEU H . 17613 1 1530 . 1 . 1 114 114 LEU HA H 1 3.713 0.020 . 1 . . . . A 114 LEU HA . 17613 1 1531 . 1 . 1 114 114 LEU HB2 H 1 1.735 0.020 . 2 . . . . A 114 LEU HB2 . 17613 1 1532 . 1 . 1 114 114 LEU HB3 H 1 1.397 0.020 . 2 . . . . A 114 LEU HB3 . 17613 1 1533 . 1 . 1 114 114 LEU HG H 1 1.651 0.020 . 1 . . . . A 114 LEU HG . 17613 1 1534 . 1 . 1 114 114 LEU HD11 H 1 0.805 0.020 . 2 . . . . A 114 LEU HD11 . 17613 1 1535 . 1 . 1 114 114 LEU HD12 H 1 0.805 0.020 . 2 . . . . A 114 LEU HD12 . 17613 1 1536 . 1 . 1 114 114 LEU HD13 H 1 0.805 0.020 . 2 . . . . A 114 LEU HD13 . 17613 1 1537 . 1 . 1 114 114 LEU HD21 H 1 0.670 0.020 . 2 . . . . A 114 LEU HD21 . 17613 1 1538 . 1 . 1 114 114 LEU HD22 H 1 0.670 0.020 . 2 . . . . A 114 LEU HD22 . 17613 1 1539 . 1 . 1 114 114 LEU HD23 H 1 0.670 0.020 . 2 . . . . A 114 LEU HD23 . 17613 1 1540 . 1 . 1 114 114 LEU C C 13 178.431 0.400 . 1 . . . . A 114 LEU C . 17613 1 1541 . 1 . 1 114 114 LEU CA C 13 57.675 0.400 . 1 . . . . A 114 LEU CA . 17613 1 1542 . 1 . 1 114 114 LEU CB C 13 40.936 0.400 . 1 . . . . A 114 LEU CB . 17613 1 1543 . 1 . 1 114 114 LEU CG C 13 26.770 0.400 . 1 . . . . A 114 LEU CG . 17613 1 1544 . 1 . 1 114 114 LEU CD1 C 13 24.730 0.400 . 1 . . . . A 114 LEU CD1 . 17613 1 1545 . 1 . 1 114 114 LEU CD2 C 13 23.240 0.400 . 1 . . . . A 114 LEU CD2 . 17613 1 1546 . 1 . 1 114 114 LEU N N 15 116.901 0.400 . 1 . . . . A 114 LEU N . 17613 1 1547 . 1 . 1 115 115 LYS H H 1 7.617 0.020 . 1 . . . . A 115 LYS H . 17613 1 1548 . 1 . 1 115 115 LYS HA H 1 3.800 0.020 . 1 . . . . A 115 LYS HA . 17613 1 1549 . 1 . 1 115 115 LYS HB2 H 1 1.928 0.020 . 2 . . . . A 115 LYS HB2 . 17613 1 1550 . 1 . 1 115 115 LYS HB3 H 1 1.934 0.020 . 2 . . . . A 115 LYS HB3 . 17613 1 1551 . 1 . 1 115 115 LYS HG2 H 1 1.561 0.020 . 2 . . . . A 115 LYS HG2 . 17613 1 1552 . 1 . 1 115 115 LYS HG3 H 1 1.300 0.020 . 2 . . . . A 115 LYS HG3 . 17613 1 1553 . 1 . 1 115 115 LYS HD2 H 1 1.656 0.020 . 2 . . . . A 115 LYS HD2 . 17613 1 1554 . 1 . 1 115 115 LYS HD3 H 1 1.659 0.020 . 2 . . . . A 115 LYS HD3 . 17613 1 1555 . 1 . 1 115 115 LYS HE2 H 1 2.909 0.020 . 1 . . . . A 115 LYS HE2 . 17613 1 1556 . 1 . 1 115 115 LYS HE3 H 1 2.909 0.020 . 1 . . . . A 115 LYS HE3 . 17613 1 1557 . 1 . 1 115 115 LYS C C 13 179.404 0.400 . 1 . . . . A 115 LYS C . 17613 1 1558 . 1 . 1 115 115 LYS CA C 13 59.883 0.400 . 1 . . . . A 115 LYS CA . 17613 1 1559 . 1 . 1 115 115 LYS CB C 13 32.178 0.400 . 1 . . . . A 115 LYS CB . 17613 1 1560 . 1 . 1 115 115 LYS CG C 13 24.910 0.400 . 1 . . . . A 115 LYS CG . 17613 1 1561 . 1 . 1 115 115 LYS CD C 13 29.549 0.400 . 1 . . . . A 115 LYS CD . 17613 1 1562 . 1 . 1 115 115 LYS CE C 13 41.780 0.400 . 1 . . . . A 115 LYS CE . 17613 1 1563 . 1 . 1 115 115 LYS N N 15 119.066 0.400 . 1 . . . . A 115 LYS N . 17613 1 1564 . 1 . 1 116 116 ILE H H 1 8.004 0.020 . 1 . . . . A 116 ILE H . 17613 1 1565 . 1 . 1 116 116 ILE HA H 1 3.460 0.020 . 1 . . . . A 116 ILE HA . 17613 1 1566 . 1 . 1 116 116 ILE HB H 1 1.630 0.020 . 1 . . . . A 116 ILE HB . 17613 1 1567 . 1 . 1 116 116 ILE HG12 H 1 1.584 0.020 . 2 . . . . A 116 ILE HG12 . 17613 1 1568 . 1 . 1 116 116 ILE HG13 H 1 0.970 0.020 . 2 . . . . A 116 ILE HG13 . 17613 1 1569 . 1 . 1 116 116 ILE HG21 H 1 0.043 0.020 . 1 . . . . A 116 ILE HG21 . 17613 1 1570 . 1 . 1 116 116 ILE HG22 H 1 0.043 0.020 . 1 . . . . A 116 ILE HG22 . 17613 1 1571 . 1 . 1 116 116 ILE HG23 H 1 0.043 0.020 . 1 . . . . A 116 ILE HG23 . 17613 1 1572 . 1 . 1 116 116 ILE HD11 H 1 0.680 0.020 . 1 . . . . A 116 ILE HD11 . 17613 1 1573 . 1 . 1 116 116 ILE HD12 H 1 0.680 0.020 . 1 . . . . A 116 ILE HD12 . 17613 1 1574 . 1 . 1 116 116 ILE HD13 H 1 0.680 0.020 . 1 . . . . A 116 ILE HD13 . 17613 1 1575 . 1 . 1 116 116 ILE C C 13 177.016 0.400 . 1 . . . . A 116 ILE C . 17613 1 1576 . 1 . 1 116 116 ILE CA C 13 64.122 0.400 . 1 . . . . A 116 ILE CA . 17613 1 1577 . 1 . 1 116 116 ILE CB C 13 36.323 0.400 . 1 . . . . A 116 ILE CB . 17613 1 1578 . 1 . 1 116 116 ILE CG1 C 13 28.888 0.400 . 1 . . . . A 116 ILE CG1 . 17613 1 1579 . 1 . 1 116 116 ILE CG2 C 13 18.105 0.400 . 1 . . . . A 116 ILE CG2 . 17613 1 1580 . 1 . 1 116 116 ILE CD1 C 13 13.410 0.400 . 1 . . . . A 116 ILE CD1 . 17613 1 1581 . 1 . 1 116 116 ILE N N 15 120.613 0.400 . 1 . . . . A 116 ILE N . 17613 1 1582 . 1 . 1 117 117 VAL H H 1 8.121 0.020 . 1 . . . . A 117 VAL H . 17613 1 1583 . 1 . 1 117 117 VAL HA H 1 3.260 0.020 . 1 . . . . A 117 VAL HA . 17613 1 1584 . 1 . 1 117 117 VAL HB H 1 2.047 0.020 . 1 . . . . A 117 VAL HB . 17613 1 1585 . 1 . 1 117 117 VAL HG11 H 1 0.721 0.020 . 2 . . . . A 117 VAL HG11 . 17613 1 1586 . 1 . 1 117 117 VAL HG12 H 1 0.721 0.020 . 2 . . . . A 117 VAL HG12 . 17613 1 1587 . 1 . 1 117 117 VAL HG13 H 1 0.721 0.020 . 2 . . . . A 117 VAL HG13 . 17613 1 1588 . 1 . 1 117 117 VAL HG21 H 1 0.865 0.020 . 2 . . . . A 117 VAL HG21 . 17613 1 1589 . 1 . 1 117 117 VAL HG22 H 1 0.865 0.020 . 2 . . . . A 117 VAL HG22 . 17613 1 1590 . 1 . 1 117 117 VAL HG23 H 1 0.865 0.020 . 2 . . . . A 117 VAL HG23 . 17613 1 1591 . 1 . 1 117 117 VAL C C 13 177.746 0.400 . 1 . . . . A 117 VAL C . 17613 1 1592 . 1 . 1 117 117 VAL CA C 13 67.505 0.400 . 1 . . . . A 117 VAL CA . 17613 1 1593 . 1 . 1 117 117 VAL CB C 13 30.753 0.400 . 1 . . . . A 117 VAL CB . 17613 1 1594 . 1 . 1 117 117 VAL CG1 C 13 21.310 0.400 . 1 . . . . A 117 VAL CG1 . 17613 1 1595 . 1 . 1 117 117 VAL CG2 C 13 23.986 0.400 . 1 . . . . A 117 VAL CG2 . 17613 1 1596 . 1 . 1 117 117 VAL N N 15 120.234 0.400 . 1 . . . . A 117 VAL N . 17613 1 1597 . 1 . 1 118 118 ARG H H 1 8.026 0.020 . 1 . . . . A 118 ARG H . 17613 1 1598 . 1 . 1 118 118 ARG HA H 1 3.893 0.020 . 1 . . . . A 118 ARG HA . 17613 1 1599 . 1 . 1 118 118 ARG HB2 H 1 1.799 0.020 . 2 . . . . A 118 ARG HB2 . 17613 1 1600 . 1 . 1 118 118 ARG HB3 H 1 1.871 0.020 . 2 . . . . A 118 ARG HB3 . 17613 1 1601 . 1 . 1 118 118 ARG HG2 H 1 1.729 0.020 . 2 . . . . A 118 ARG HG2 . 17613 1 1602 . 1 . 1 118 118 ARG HG3 H 1 1.483 0.020 . 2 . . . . A 118 ARG HG3 . 17613 1 1603 . 1 . 1 118 118 ARG HD2 H 1 3.151 0.020 . 2 . . . . A 118 ARG HD2 . 17613 1 1604 . 1 . 1 118 118 ARG HD3 H 1 2.971 0.020 . 2 . . . . A 118 ARG HD3 . 17613 1 1605 . 1 . 1 118 118 ARG HE H 1 7.666 0.020 . 1 . . . . A 118 ARG HE . 17613 1 1606 . 1 . 1 118 118 ARG C C 13 178.966 0.400 . 1 . . . . A 118 ARG C . 17613 1 1607 . 1 . 1 118 118 ARG CA C 13 60.169 0.400 . 1 . . . . A 118 ARG CA . 17613 1 1608 . 1 . 1 118 118 ARG CB C 13 29.702 0.400 . 1 . . . . A 118 ARG CB . 17613 1 1609 . 1 . 1 118 118 ARG CG C 13 28.010 0.400 . 1 . . . . A 118 ARG CG . 17613 1 1610 . 1 . 1 118 118 ARG CD C 13 43.758 0.400 . 1 . . . . A 118 ARG CD . 17613 1 1611 . 1 . 1 118 118 ARG N N 15 118.415 0.400 . 1 . . . . A 118 ARG N . 17613 1 1612 . 1 . 1 118 118 ARG NE N 15 85.297 0.400 . 1 . . . . A 118 ARG NE . 17613 1 1613 . 1 . 1 119 119 GLU H H 1 7.918 0.020 . 1 . . . . A 119 GLU H . 17613 1 1614 . 1 . 1 119 119 GLU HA H 1 4.027 0.020 . 1 . . . . A 119 GLU HA . 17613 1 1615 . 1 . 1 119 119 GLU HB2 H 1 2.117 0.020 . 2 . . . . A 119 GLU HB2 . 17613 1 1616 . 1 . 1 119 119 GLU HB3 H 1 2.114 0.020 . 2 . . . . A 119 GLU HB3 . 17613 1 1617 . 1 . 1 119 119 GLU HG2 H 1 2.076 0.020 . 2 . . . . A 119 GLU HG2 . 17613 1 1618 . 1 . 1 119 119 GLU HG3 H 1 2.459 0.020 . 2 . . . . A 119 GLU HG3 . 17613 1 1619 . 1 . 1 119 119 GLU C C 13 179.429 0.400 . 1 . . . . A 119 GLU C . 17613 1 1620 . 1 . 1 119 119 GLU CA C 13 59.530 0.400 . 1 . . . . A 119 GLU CA . 17613 1 1621 . 1 . 1 119 119 GLU CB C 13 28.961 0.400 . 1 . . . . A 119 GLU CB . 17613 1 1622 . 1 . 1 119 119 GLU CG C 13 36.010 0.400 . 1 . . . . A 119 GLU CG . 17613 1 1623 . 1 . 1 119 119 GLU N N 15 122.419 0.400 . 1 . . . . A 119 GLU N . 17613 1 1624 . 1 . 1 120 120 PHE H H 1 8.826 0.020 . 1 . . . . A 120 PHE H . 17613 1 1625 . 1 . 1 120 120 PHE HA H 1 4.022 0.020 . 1 . . . . A 120 PHE HA . 17613 1 1626 . 1 . 1 120 120 PHE HB2 H 1 3.218 0.020 . 2 . . . . A 120 PHE HB2 . 17613 1 1627 . 1 . 1 120 120 PHE HB3 H 1 2.343 0.020 . 2 . . . . A 120 PHE HB3 . 17613 1 1628 . 1 . 1 120 120 PHE HD1 H 1 6.789 0.020 . 1 . . . . A 120 PHE HD1 . 17613 1 1629 . 1 . 1 120 120 PHE HD2 H 1 6.789 0.020 . 1 . . . . A 120 PHE HD2 . 17613 1 1630 . 1 . 1 120 120 PHE HE1 H 1 7.137 0.020 . 1 . . . . A 120 PHE HE1 . 17613 1 1631 . 1 . 1 120 120 PHE HE2 H 1 7.137 0.020 . 1 . . . . A 120 PHE HE2 . 17613 1 1632 . 1 . 1 120 120 PHE HZ H 1 7.019 0.020 . 1 . . . . A 120 PHE HZ . 17613 1 1633 . 1 . 1 120 120 PHE C C 13 177.698 0.400 . 1 . . . . A 120 PHE C . 17613 1 1634 . 1 . 1 120 120 PHE CA C 13 56.868 0.400 . 1 . . . . A 120 PHE CA . 17613 1 1635 . 1 . 1 120 120 PHE CB C 13 36.753 0.400 . 1 . . . . A 120 PHE CB . 17613 1 1636 . 1 . 1 120 120 PHE CD1 C 13 129.643 0.400 . 1 . . . . A 120 PHE CD1 . 17613 1 1637 . 1 . 1 120 120 PHE CD2 C 13 129.603 0.400 . 1 . . . . A 120 PHE CD2 . 17613 1 1638 . 1 . 1 120 120 PHE CE1 C 13 131.362 0.400 . 1 . . . . A 120 PHE CE1 . 17613 1 1639 . 1 . 1 120 120 PHE CE2 C 13 131.152 0.400 . 1 . . . . A 120 PHE CE2 . 17613 1 1640 . 1 . 1 120 120 PHE CZ C 13 129.438 0.400 . 1 . . . . A 120 PHE CZ . 17613 1 1641 . 1 . 1 120 120 PHE N N 15 119.597 0.400 . 1 . . . . A 120 PHE N . 17613 1 1642 . 1 . 1 121 121 MET H H 1 8.317 0.020 . 1 . . . . A 121 MET H . 17613 1 1643 . 1 . 1 121 121 MET HA H 1 3.931 0.020 . 1 . . . . A 121 MET HA . 17613 1 1644 . 1 . 1 121 121 MET HB2 H 1 2.290 0.020 . 2 . . . . A 121 MET HB2 . 17613 1 1645 . 1 . 1 121 121 MET HB3 H 1 2.077 0.020 . 2 . . . . A 121 MET HB3 . 17613 1 1646 . 1 . 1 121 121 MET HG2 H 1 1.917 0.020 . 2 . . . . A 121 MET HG2 . 17613 1 1647 . 1 . 1 121 121 MET HG3 H 1 2.625 0.020 . 2 . . . . A 121 MET HG3 . 17613 1 1648 . 1 . 1 121 121 MET HE1 H 1 1.830 0.020 . 1 . . . . A 121 MET HE1 . 17613 1 1649 . 1 . 1 121 121 MET HE2 H 1 1.830 0.020 . 1 . . . . A 121 MET HE2 . 17613 1 1650 . 1 . 1 121 121 MET HE3 H 1 1.830 0.020 . 1 . . . . A 121 MET HE3 . 17613 1 1651 . 1 . 1 121 121 MET C C 13 179.577 0.400 . 1 . . . . A 121 MET C . 17613 1 1652 . 1 . 1 121 121 MET CA C 13 59.785 0.400 . 1 . . . . A 121 MET CA . 17613 1 1653 . 1 . 1 121 121 MET CB C 13 33.643 0.400 . 1 . . . . A 121 MET CB . 17613 1 1654 . 1 . 1 121 121 MET CG C 13 31.222 0.400 . 1 . . . . A 121 MET CG . 17613 1 1655 . 1 . 1 121 121 MET CE C 13 16.539 0.400 . 1 . . . . A 121 MET CE . 17613 1 1656 . 1 . 1 121 121 MET N N 15 116.596 0.400 . 1 . . . . A 121 MET N . 17613 1 1657 . 1 . 1 122 122 GLN H H 1 8.054 0.020 . 1 . . . . A 122 GLN H . 17613 1 1658 . 1 . 1 122 122 GLN HA H 1 4.135 0.020 . 1 . . . . A 122 GLN HA . 17613 1 1659 . 1 . 1 122 122 GLN HB2 H 1 2.241 0.020 . 1 . . . . A 122 GLN HB2 . 17613 1 1660 . 1 . 1 122 122 GLN HB3 H 1 2.241 0.020 . 1 . . . . A 122 GLN HB3 . 17613 1 1661 . 1 . 1 122 122 GLN HG2 H 1 2.406 0.020 . 2 . . . . A 122 GLN HG2 . 17613 1 1662 . 1 . 1 122 122 GLN HG3 H 1 2.521 0.020 . 2 . . . . A 122 GLN HG3 . 17613 1 1663 . 1 . 1 122 122 GLN HE21 H 1 7.466 0.020 . 2 . . . . A 122 GLN HE21 . 17613 1 1664 . 1 . 1 122 122 GLN HE22 H 1 6.831 0.020 . 2 . . . . A 122 GLN HE22 . 17613 1 1665 . 1 . 1 122 122 GLN C C 13 178.893 0.400 . 1 . . . . A 122 GLN C . 17613 1 1666 . 1 . 1 122 122 GLN CA C 13 58.745 0.400 . 1 . . . . A 122 GLN CA . 17613 1 1667 . 1 . 1 122 122 GLN CB C 13 28.020 0.400 . 1 . . . . A 122 GLN CB . 17613 1 1668 . 1 . 1 122 122 GLN CG C 13 33.526 0.400 . 1 . . . . A 122 GLN CG . 17613 1 1669 . 1 . 1 122 122 GLN N N 15 120.565 0.400 . 1 . . . . A 122 GLN N . 17613 1 1670 . 1 . 1 122 122 GLN NE2 N 15 111.549 0.400 . 1 . . . . A 122 GLN NE2 . 17613 1 1671 . 1 . 1 123 123 LYS H H 1 8.400 0.020 . 1 . . . . A 123 LYS H . 17613 1 1672 . 1 . 1 123 123 LYS HA H 1 4.025 0.020 . 1 . . . . A 123 LYS HA . 17613 1 1673 . 1 . 1 123 123 LYS HB2 H 1 1.934 0.020 . 2 . . . . A 123 LYS HB2 . 17613 1 1674 . 1 . 1 123 123 LYS HB3 H 1 1.914 0.020 . 2 . . . . A 123 LYS HB3 . 17613 1 1675 . 1 . 1 123 123 LYS HG2 H 1 1.575 0.020 . 2 . . . . A 123 LYS HG2 . 17613 1 1676 . 1 . 1 123 123 LYS HG3 H 1 1.698 0.020 . 2 . . . . A 123 LYS HG3 . 17613 1 1677 . 1 . 1 123 123 LYS HD2 H 1 1.843 0.020 . 2 . . . . A 123 LYS HD2 . 17613 1 1678 . 1 . 1 123 123 LYS HD3 H 1 1.748 0.020 . 2 . . . . A 123 LYS HD3 . 17613 1 1679 . 1 . 1 123 123 LYS HE2 H 1 3.013 0.020 . 2 . . . . A 123 LYS HE2 . 17613 1 1680 . 1 . 1 123 123 LYS HE3 H 1 3.009 0.020 . 2 . . . . A 123 LYS HE3 . 17613 1 1681 . 1 . 1 123 123 LYS C C 13 179.307 0.400 . 1 . . . . A 123 LYS C . 17613 1 1682 . 1 . 1 123 123 LYS CA C 13 59.243 0.400 . 1 . . . . A 123 LYS CA . 17613 1 1683 . 1 . 1 123 123 LYS CB C 13 32.306 0.400 . 1 . . . . A 123 LYS CB . 17613 1 1684 . 1 . 1 123 123 LYS CG C 13 25.679 0.400 . 1 . . . . A 123 LYS CG . 17613 1 1685 . 1 . 1 123 123 LYS CD C 13 29.286 0.400 . 1 . . . . A 123 LYS CD . 17613 1 1686 . 1 . 1 123 123 LYS CE C 13 41.780 0.400 . 1 . . . . A 123 LYS CE . 17613 1 1687 . 1 . 1 123 123 LYS N N 15 121.605 0.400 . 1 . . . . A 123 LYS N . 17613 1 1688 . 1 . 1 124 124 ALA H H 1 8.601 0.020 . 1 . . . . A 124 ALA H . 17613 1 1689 . 1 . 1 124 124 ALA HA H 1 4.144 0.020 . 1 . . . . A 124 ALA HA . 17613 1 1690 . 1 . 1 124 124 ALA HB1 H 1 1.504 0.020 . 1 . . . . A 124 ALA HB1 . 17613 1 1691 . 1 . 1 124 124 ALA HB2 H 1 1.504 0.020 . 1 . . . . A 124 ALA HB2 . 17613 1 1692 . 1 . 1 124 124 ALA HB3 H 1 1.504 0.020 . 1 . . . . A 124 ALA HB3 . 17613 1 1693 . 1 . 1 124 124 ALA C C 13 179.112 0.400 . 1 . . . . A 124 ALA C . 17613 1 1694 . 1 . 1 124 124 ALA CA C 13 54.652 0.400 . 1 . . . . A 124 ALA CA . 17613 1 1695 . 1 . 1 124 124 ALA CB C 13 18.934 0.400 . 1 . . . . A 124 ALA CB . 17613 1 1696 . 1 . 1 124 124 ALA N N 15 121.873 0.400 . 1 . . . . A 124 ALA N . 17613 1 1697 . 1 . 1 125 125 GLY H H 1 7.949 0.020 . 1 . . . . A 125 GLY H . 17613 1 1698 . 1 . 1 125 125 GLY HA2 H 1 4.052 0.020 . 2 . . . . A 125 GLY HA2 . 17613 1 1699 . 1 . 1 125 125 GLY HA3 H 1 4.063 0.020 . 2 . . . . A 125 GLY HA3 . 17613 1 1700 . 1 . 1 125 125 GLY C C 13 175.553 0.400 . 1 . . . . A 125 GLY C . 17613 1 1701 . 1 . 1 125 125 GLY CA C 13 46.291 0.400 . 1 . . . . A 125 GLY CA . 17613 1 1702 . 1 . 1 125 125 GLY N N 15 104.755 0.400 . 1 . . . . A 125 GLY N . 17613 1 1703 . 1 . 1 126 126 SER H H 1 7.861 0.020 . 1 . . . . A 126 SER H . 17613 1 1704 . 1 . 1 126 126 SER HA H 1 4.447 0.020 . 1 . . . . A 126 SER HA . 17613 1 1705 . 1 . 1 126 126 SER HB2 H 1 4.023 0.020 . 2 . . . . A 126 SER HB2 . 17613 1 1706 . 1 . 1 126 126 SER HB3 H 1 4.030 0.020 . 2 . . . . A 126 SER HB3 . 17613 1 1707 . 1 . 1 126 126 SER C C 13 175.504 0.400 . 1 . . . . A 126 SER C . 17613 1 1708 . 1 . 1 126 126 SER CA C 13 59.965 0.400 . 1 . . . . A 126 SER CA . 17613 1 1709 . 1 . 1 126 126 SER CB C 13 63.460 0.400 . 1 . . . . A 126 SER CB . 17613 1 1710 . 1 . 1 126 126 SER N N 15 116.080 0.400 . 1 . . . . A 126 SER N . 17613 1 1711 . 1 . 1 127 127 LEU H H 1 7.882 0.020 . 1 . . . . A 127 LEU H . 17613 1 1712 . 1 . 1 127 127 LEU HA H 1 4.282 0.020 . 1 . . . . A 127 LEU HA . 17613 1 1713 . 1 . 1 127 127 LEU HB2 H 1 1.933 0.020 . 2 . . . . A 127 LEU HB2 . 17613 1 1714 . 1 . 1 127 127 LEU HB3 H 1 1.613 0.020 . 2 . . . . A 127 LEU HB3 . 17613 1 1715 . 1 . 1 127 127 LEU HG H 1 1.858 0.020 . 1 . . . . A 127 LEU HG . 17613 1 1716 . 1 . 1 127 127 LEU HD11 H 1 1.012 0.020 . 2 . . . . A 127 LEU HD11 . 17613 1 1717 . 1 . 1 127 127 LEU HD12 H 1 1.012 0.020 . 2 . . . . A 127 LEU HD12 . 17613 1 1718 . 1 . 1 127 127 LEU HD13 H 1 1.012 0.020 . 2 . . . . A 127 LEU HD13 . 17613 1 1719 . 1 . 1 127 127 LEU HD21 H 1 0.931 0.020 . 2 . . . . A 127 LEU HD21 . 17613 1 1720 . 1 . 1 127 127 LEU HD22 H 1 0.931 0.020 . 2 . . . . A 127 LEU HD22 . 17613 1 1721 . 1 . 1 127 127 LEU HD23 H 1 0.931 0.020 . 2 . . . . A 127 LEU HD23 . 17613 1 1722 . 1 . 1 127 127 LEU C C 13 177.990 0.400 . 1 . . . . A 127 LEU C . 17613 1 1723 . 1 . 1 127 127 LEU CA C 13 56.217 0.400 . 1 . . . . A 127 LEU CA . 17613 1 1724 . 1 . 1 127 127 LEU CB C 13 42.073 0.400 . 1 . . . . A 127 LEU CB . 17613 1 1725 . 1 . 1 127 127 LEU CG C 13 26.770 0.400 . 1 . . . . A 127 LEU CG . 17613 1 1726 . 1 . 1 127 127 LEU CD1 C 13 25.524 0.400 . 1 . . . . A 127 LEU CD1 . 17613 1 1727 . 1 . 1 127 127 LEU CD2 C 13 22.960 0.400 . 1 . . . . A 127 LEU CD2 . 17613 1 1728 . 1 . 1 127 127 LEU N N 15 122.372 0.400 . 1 . . . . A 127 LEU N . 17613 1 1729 . 1 . 1 128 128 GLU H H 1 8.084 0.020 . 1 . . . . A 128 GLU H . 17613 1 1730 . 1 . 1 128 128 GLU HA H 1 3.908 0.020 . 1 . . . . A 128 GLU HA . 17613 1 1731 . 1 . 1 128 128 GLU HB2 H 1 1.901 0.020 . 2 . . . . A 128 GLU HB2 . 17613 1 1732 . 1 . 1 128 128 GLU HB3 H 1 1.954 0.020 . 2 . . . . A 128 GLU HB3 . 17613 1 1733 . 1 . 1 128 128 GLU HG2 H 1 2.014 0.020 . 1 . . . . A 128 GLU HG2 . 17613 1 1734 . 1 . 1 128 128 GLU HG3 H 1 2.014 0.020 . 1 . . . . A 128 GLU HG3 . 17613 1 1735 . 1 . 1 128 128 GLU CA C 13 57.611 0.400 . 1 . . . . A 128 GLU CA . 17613 1 1736 . 1 . 1 128 128 GLU CB C 13 29.830 0.400 . 1 . . . . A 128 GLU CB . 17613 1 1737 . 1 . 1 128 128 GLU CG C 13 36.010 0.400 . 1 . . . . A 128 GLU CG . 17613 1 1738 . 1 . 1 128 128 GLU N N 15 119.775 0.400 . 1 . . . . A 128 GLU N . 17613 1 1739 . 1 . 1 131 131 HIS H H 1 8.059 0.020 . 1 . . . . A 131 HIS H . 17613 1 1740 . 1 . 1 131 131 HIS N N 15 125.272 0.400 . 1 . . . . A 131 HIS N . 17613 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 17613 _RDC_list.ID 1 _RDC_list.Name . _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 599.520 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'Alignment media 1:Peg/hexanol' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 8 '2D 1H-15N HSQC' . . . 17613 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 4 4 LEU H H 1 . . 1 1 4 4 LEU N N 15 . -11.754 . . . . . . 1 4 LEU H 1 4 LEU N 17613 1 2 DHN . 1 1 6 6 LEU H H 1 . . 1 1 6 6 LEU N N 15 . -8.853 . . . . . . 1 6 LEU H 1 6 LEU N 17613 1 3 DHN . 1 1 7 7 ILE H H 1 . . 1 1 7 7 ILE N N 15 . -3.090 . . . . . . 1 7 ILE H 1 7 ILE N 17613 1 4 DHN . 1 1 8 8 ASN H H 1 . . 1 1 8 8 ASN N N 15 . -4.637 . . . . . . 1 8 ASN H 1 8 ASN N 17613 1 5 DHN . 1 1 10 10 ASN H H 1 . . 1 1 10 10 ASN N N 15 . 2.338 . . . . . . 1 10 ASN H 1 10 ASN N 17613 1 6 DHN . 1 1 11 11 ASN H H 1 . . 1 1 11 11 ASN N N 15 . -3.007 . . . . . . 1 11 ASN H 1 11 ASN N 17613 1 7 DHN . 1 1 12 12 ASP H H 1 . . 1 1 12 12 ASP N N 15 . 10.756 . . . . . . 1 12 ASP H 1 12 ASP N 17613 1 8 DHN . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU N N 15 . 10.181 . . . . . . 1 13 GLU H 1 13 GLU N 17613 1 9 DHN . 1 1 14 14 LEU H H 1 . . 1 1 14 14 LEU N N 15 . 6.155 . . . . . . 1 14 LEU H 1 14 LEU N 17613 1 10 DHN . 1 1 17 17 LYS H H 1 . . 1 1 17 17 LYS N N 15 . 7.846 . . . . . . 1 17 LYS H 1 17 LYS N 17613 1 11 DHN . 1 1 18 18 ILE H H 1 . . 1 1 18 18 ILE N N 15 . 8.367 . . . . . . 1 18 ILE H 1 18 ILE N 17613 1 12 DHN . 1 1 20 20 LYS H H 1 . . 1 1 20 20 LYS N N 15 . 14.385 . . . . . . 1 20 LYS H 1 20 LYS N 17613 1 13 DHN . 1 1 26 26 GLY H H 1 . . 1 1 26 26 GLY N N 15 . -6.146 . . . . . . 1 26 GLY H 1 26 GLY N 17613 1 14 DHN . 1 1 30 30 ARG H H 1 . . 1 1 30 30 ARG N N 15 . -8.341 . . . . . . 1 30 ARG H 1 30 ARG N 17613 1 15 DHN . 1 1 31 31 ASP H H 1 . . 1 1 31 31 ASP N N 15 . -3.557 . . . . . . 1 31 ASP H 1 31 ASP N 17613 1 16 DHN . 1 1 32 32 VAL H H 1 . . 1 1 32 32 VAL N N 15 . 0.704 . . . . . . 1 32 VAL H 1 32 VAL N 17613 1 17 DHN . 1 1 33 33 ASN H H 1 . . 1 1 33 33 ASN N N 15 . -0.770 . . . . . . 1 33 ASN H 1 33 ASN N 17613 1 18 DHN . 1 1 34 34 ASP H H 1 . . 1 1 34 34 ASP N N 15 . 12.821 . . . . . . 1 34 ASP H 1 34 ASP N 17613 1 19 DHN . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . 11.576 . . . . . . 1 35 SER H 1 35 SER N 17613 1 20 DHN . 1 1 36 36 ASP H H 1 . . 1 1 36 36 ASP N N 15 . 7.225 . . . . . . 1 36 ASP H 1 36 ASP N 17613 1 21 DHN . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU N N 15 . 14.133 . . . . . . 1 37 GLU H 1 37 GLU N 17613 1 22 DHN . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU N N 15 . 11.139 . . . . . . 1 38 LEU H 1 38 LEU N 17613 1 23 DHN . 1 1 42 42 MET H H 1 . . 1 1 42 42 MET N N 15 . 8.584 . . . . . . 1 42 MET H 1 42 MET N 17613 1 24 DHN . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS N N 15 . 5.886 . . . . . . 1 43 LYS H 1 43 LYS N 17613 1 25 DHN . 1 1 44 44 LYS H H 1 . . 1 1 44 44 LYS N N 15 . 11.634 . . . . . . 1 44 LYS H 1 44 LYS N 17613 1 26 DHN . 1 1 45 45 LEU H H 1 . . 1 1 45 45 LEU N N 15 . 10.958 . . . . . . 1 45 LEU H 1 45 LEU N 17613 1 27 DHN . 1 1 47 47 GLU H H 1 . . 1 1 47 47 GLU N N 15 . 6.771 . . . . . . 1 47 GLU H 1 47 GLU N 17613 1 28 DHN . 1 1 48 48 GLU H H 1 . . 1 1 48 48 GLU N N 15 . 9.069 . . . . . . 1 48 GLU H 1 48 GLU N 17613 1 29 DHN . 1 1 50 50 ASN H H 1 . . 1 1 50 50 ASN N N 15 . -1.531 . . . . . . 1 50 ASN H 1 50 ASN N 17613 1 30 DHN . 1 1 53 53 LYS H H 1 . . 1 1 53 53 LYS N N 15 . -3.613 . . . . . . 1 53 LYS H 1 53 LYS N 17613 1 31 DHN . 1 1 54 54 ILE H H 1 . . 1 1 54 54 ILE N N 15 . -9.868 . . . . . . 1 54 ILE H 1 54 ILE N 17613 1 32 DHN . 1 1 55 55 LEU H H 1 . . 1 1 55 55 LEU N N 15 . -8.901 . . . . . . 1 55 LEU H 1 55 LEU N 17613 1 33 DHN . 1 1 56 56 ILE H H 1 . . 1 1 56 56 ILE N N 15 . -8.583 . . . . . . 1 56 ILE H 1 56 ILE N 17613 1 34 DHN . 1 1 57 57 ILE H H 1 . . 1 1 57 57 ILE N N 15 . -2.719 . . . . . . 1 57 ILE H 1 57 ILE N 17613 1 35 DHN . 1 1 58 58 SER H H 1 . . 1 1 58 58 SER N N 15 . -2.207 . . . . . . 1 58 SER H 1 58 SER N 17613 1 36 DHN . 1 1 59 59 ASN H H 1 . . 1 1 59 59 ASN N N 15 . -2.584 . . . . . . 1 59 ASN H 1 59 ASN N 17613 1 37 DHN . 1 1 60 60 ASP H H 1 . . 1 1 60 60 ASP N N 15 . 9.374 . . . . . . 1 60 ASP H 1 60 ASP N 17613 1 38 DHN . 1 1 61 61 LYS H H 1 . . 1 1 61 61 LYS N N 15 . 12.143 . . . . . . 1 61 LYS H 1 61 LYS N 17613 1 39 DHN . 1 1 62 62 GLN H H 1 . . 1 1 62 62 GLN N N 15 . -1.645 . . . . . . 1 62 GLN H 1 62 GLN N 17613 1 40 DHN . 1 1 63 63 LEU H H 1 . . 1 1 63 63 LEU N N 15 . 0.619 . . . . . . 1 63 LEU H 1 63 LEU N 17613 1 41 DHN . 1 1 67 67 MET H H 1 . . 1 1 67 67 MET N N 15 . 7.955 . . . . . . 1 67 MET H 1 67 MET N 17613 1 42 DHN . 1 1 68 68 LEU H H 1 . . 1 1 68 68 LEU N N 15 . 12.594 . . . . . . 1 68 LEU H 1 68 LEU N 17613 1 43 DHN . 1 1 70 70 LEU H H 1 . . 1 1 70 70 LEU N N 15 . 4.501 . . . . . . 1 70 LEU H 1 70 LEU N 17613 1 44 DHN . 1 1 71 71 ILE H H 1 . . 1 1 71 71 ILE N N 15 . 14.020 . . . . . . 1 71 ILE H 1 71 ILE N 17613 1 45 DHN . 1 1 72 72 SER H H 1 . . 1 1 72 72 SER N N 15 . 10.933 . . . . . . 1 72 SER H 1 72 SER N 17613 1 46 DHN . 1 1 73 73 LYS H H 1 . . 1 1 73 73 LYS N N 15 . 2.891 . . . . . . 1 73 LYS H 1 73 LYS N 17613 1 47 DHN . 1 1 76 76 TYR H H 1 . . 1 1 76 76 TYR N N 15 . 4.685 . . . . . . 1 76 TYR H 1 76 TYR N 17613 1 48 DHN . 1 1 79 79 PHE H H 1 . . 1 1 79 79 PHE N N 15 . -8.908 . . . . . . 1 79 PHE H 1 79 PHE N 17613 1 49 DHN . 1 1 81 81 LEU H H 1 . . 1 1 81 81 LEU N N 15 . -3.262 . . . . . . 1 81 LEU H 1 81 LEU N 17613 1 50 DHN . 1 1 82 82 LEU H H 1 . . 1 1 82 82 LEU N N 15 . -6.854 . . . . . . 1 82 LEU H 1 82 LEU N 17613 1 51 DHN . 1 1 83 83 GLN H H 1 . . 1 1 83 83 GLN N N 15 . -1.151 . . . . . . 1 83 GLN H 1 83 GLN N 17613 1 52 DHN . 1 1 84 84 ASP H H 1 . . 1 1 84 84 ASP N N 15 . -3.495 . . . . . . 1 84 ASP H 1 84 ASP N 17613 1 53 DHN . 1 1 85 85 GLN H H 1 . . 1 1 85 85 GLN N N 15 . -3.674 . . . . . . 1 85 GLN H 1 85 GLN N 17613 1 54 DHN . 1 1 86 86 ASP H H 1 . . 1 1 86 86 ASP N N 15 . 3.223 . . . . . . 1 86 ASP H 1 86 ASP N 17613 1 55 DHN . 1 1 89 89 GLU H H 1 . . 1 1 89 89 GLU N N 15 . -1.765 . . . . . . 1 89 GLU H 1 89 GLU N 17613 1 56 DHN . 1 1 91 91 GLU H H 1 . . 1 1 91 91 GLU N N 15 . 10.104 . . . . . . 1 91 GLU H 1 91 GLU N 17613 1 57 DHN . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU N N 15 . 5.790 . . . . . . 1 92 GLU H 1 92 GLU N 17613 1 58 DHN . 1 1 94 94 LYS H H 1 . . 1 1 94 94 LYS N N 15 . 7.828 . . . . . . 1 94 LYS H 1 94 LYS N 17613 1 59 DHN . 1 1 95 95 ARG H H 1 . . 1 1 95 95 ARG N N 15 . 10.733 . . . . . . 1 95 ARG H 1 95 ARG N 17613 1 60 DHN . 1 1 98 98 GLU H H 1 . . 1 1 98 98 GLU N N 15 . 9.797 . . . . . . 1 98 GLU H 1 98 GLU N 17613 1 61 DHN . 1 1 99 99 SER H H 1 . . 1 1 99 99 SER N N 15 . 6.651 . . . . . . 1 99 SER H 1 99 SER N 17613 1 62 DHN . 1 1 102 102 TYR H H 1 . . 1 1 102 102 TYR N N 15 . 4.681 . . . . . . 1 102 TYR H 1 102 TYR N 17613 1 63 DHN . 1 1 105 105 ARG H H 1 . . 1 1 105 105 ARG N N 15 . -4.243 . . . . . . 1 105 ARG H 1 105 ARG N 17613 1 64 DHN . 1 1 106 106 LYS H H 1 . . 1 1 106 106 LYS N N 15 . -5.457 . . . . . . 1 106 LYS H 1 106 LYS N 17613 1 65 DHN . 1 1 108 108 THR H H 1 . . 1 1 108 108 THR N N 15 . -1.224 . . . . . . 1 108 THR H 1 108 THR N 17613 1 66 DHN . 1 1 109 109 ASP H H 1 . . 1 1 109 109 ASP N N 15 . -1.125 . . . . . . 1 109 ASP H 1 109 ASP N 17613 1 67 DHN . 1 1 110 110 ASP H H 1 . . 1 1 110 110 ASP N N 15 . 7.766 . . . . . . 1 110 ASP H 1 110 ASP N 17613 1 68 DHN . 1 1 111 111 GLU H H 1 . . 1 1 111 111 GLU N N 15 . 12.080 . . . . . . 1 111 GLU H 1 111 GLU N 17613 1 69 DHN . 1 1 112 112 GLU H H 1 . . 1 1 112 112 GLU N N 15 . 12.479 . . . . . . 1 112 GLU H 1 112 GLU N 17613 1 70 DHN . 1 1 114 114 LEU H H 1 . . 1 1 114 114 LEU N N 15 . 8.751 . . . . . . 1 114 LEU H 1 114 LEU N 17613 1 71 DHN . 1 1 119 119 GLU H H 1 . . 1 1 119 119 GLU N N 15 . 11.643 . . . . . . 1 119 GLU H 1 119 GLU N 17613 1 72 DHN . 1 1 120 120 PHE H H 1 . . 1 1 120 120 PHE N N 15 . 10.596 . . . . . . 1 120 PHE H 1 120 PHE N 17613 1 73 DHN . 1 1 121 121 MET H H 1 . . 1 1 121 121 MET N N 15 . 8.376 . . . . . . 1 121 MET H 1 121 MET N 17613 1 74 DHN . 1 1 122 122 GLN H H 1 . . 1 1 122 122 GLN N N 15 . 10.805 . . . . . . 1 122 GLN H 1 122 GLN N 17613 1 75 DHN . 1 1 123 123 LYS H H 1 . . 1 1 123 123 LYS N N 15 . 9.317 . . . . . . 1 123 LYS H 1 123 LYS N 17613 1 76 DHN . 1 1 124 124 ALA H H 1 . . 1 1 124 124 ALA N N 15 . 8.726 . . . . . . 1 124 ALA H 1 124 ALA N 17613 1 77 DHN . 1 1 125 125 GLY H H 1 . . 1 1 125 125 GLY N N 15 . 10.337 . . . . . . 1 125 GLY H 1 125 GLY N 17613 1 78 DHN . 1 1 126 126 SER H H 1 . . 1 1 126 126 SER N N 15 . 11.756 . . . . . . 1 126 SER H 1 126 SER N 17613 1 79 DHN . 1 1 127 127 LEU H H 1 . . 1 1 127 127 LEU N N 15 . 6.190 . . . . . . 1 127 LEU H 1 127 LEU N 17613 1 80 DHN . 1 1 131 131 HIS H H 1 . . 1 1 131 131 HIS N N 15 . 0.047 . . . . . . 1 131 HIS H 1 131 HIS N 17613 1 stop_ save_ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 17613 _RDC_list.ID 2 _RDC_list.Name . _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 599.520 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'Alignment media 2:Phage' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 8 '2D 1H-15N HSQC' . . . 17613 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 4 4 LEU H H 1 . . 1 1 4 4 LEU N N 15 . 2.719 . . . . . . . 4 LEU H . 4 LEU N 17613 2 2 DHN . 1 1 6 6 LEU H H 1 . . 1 1 6 6 LEU N N 15 . 1.615 . . . . . . . 6 LEU H . 6 LEU N 17613 2 3 DHN . 1 1 7 7 ILE H H 1 . . 1 1 7 7 ILE N N 15 . 9.168 . . . . . . . 7 ILE H . 7 ILE N 17613 2 4 DHN . 1 1 8 8 ASN H H 1 . . 1 1 8 8 ASN N N 15 . 3.954 . . . . . . . 8 ASN H . 8 ASN N 17613 2 5 DHN . 1 1 10 10 ASN H H 1 . . 1 1 10 10 ASN N N 15 . 9.690 . . . . . . . 10 ASN H . 10 ASN N 17613 2 6 DHN . 1 1 11 11 ASN H H 1 . . 1 1 11 11 ASN N N 15 . -10.087 . . . . . . . 11 ASN H . 11 ASN N 17613 2 7 DHN . 1 1 12 12 ASP H H 1 . . 1 1 12 12 ASP N N 15 . -5.651 . . . . . . . 12 ASP H . 12 ASP N 17613 2 8 DHN . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU N N 15 . 4.498 . . . . . . . 13 GLU H . 13 GLU N 17613 2 9 DHN . 1 1 14 14 LEU H H 1 . . 1 1 14 14 LEU N N 15 . 3.621 . . . . . . . 14 LEU H . 14 LEU N 17613 2 10 DHN . 1 1 17 17 LYS H H 1 . . 1 1 17 17 LYS N N 15 . 3.805 . . . . . . . 17 LYS H . 17 LYS N 17613 2 11 DHN . 1 1 18 18 ILE H H 1 . . 1 1 18 18 ILE N N 15 . -0.834 . . . . . . . 18 ILE H . 18 ILE N 17613 2 12 DHN . 1 1 19 19 LYS H H 1 . . 1 1 19 19 LYS N N 15 . -8.311 . . . . . . . 19 LYS H . 19 LYS N 17613 2 13 DHN . 1 1 20 20 LYS H H 1 . . 1 1 20 20 LYS N N 15 . -2.179 . . . . . . . 20 LYS H . 20 LYS N 17613 2 14 DHN . 1 1 21 21 GLU H H 1 . . 1 1 21 21 GLU N N 15 . -8.421 . . . . . . . 21 GLU H . 21 GLU N 17613 2 15 DHN . 1 1 22 22 VAL H H 1 . . 1 1 22 22 VAL N N 15 . -6.524 . . . . . . . 22 VAL H . 22 VAL N 17613 2 16 DHN . 1 1 26 26 GLY H H 1 . . 1 1 26 26 GLY N N 15 . -10.150 . . . . . . . 26 GLY H . 26 GLY N 17613 2 17 DHN . 1 1 27 27 TYR H H 1 . . 1 1 27 27 TYR N N 15 . -7.666 . . . . . . . 27 TYR H . 27 TYR N 17613 2 18 DHN . 1 1 30 30 ARG H H 1 . . 1 1 30 30 ARG N N 15 . 4.560 . . . . . . . 30 ARG H . 30 ARG N 17613 2 19 DHN . 1 1 31 31 ASP H H 1 . . 1 1 31 31 ASP N N 15 . 9.436 . . . . . . . 31 ASP H . 31 ASP N 17613 2 20 DHN . 1 1 32 32 VAL H H 1 . . 1 1 32 32 VAL N N 15 . 5.971 . . . . . . . 32 VAL H . 32 VAL N 17613 2 21 DHN . 1 1 33 33 ASN H H 1 . . 1 1 33 33 ASN N N 15 . 10.296 . . . . . . . 33 ASN H . 33 ASN N 17613 2 22 DHN . 1 1 34 34 ASP H H 1 . . 1 1 34 34 ASP N N 15 . -2.763 . . . . . . . 34 ASP H . 34 ASP N 17613 2 23 DHN . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . -2.464 . . . . . . . 35 SER H . 35 SER N 17613 2 24 DHN . 1 1 36 36 ASP H H 1 . . 1 1 36 36 ASP N N 15 . -11.782 . . . . . . . 36 ASP H . 36 ASP N 17613 2 25 DHN . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU N N 15 . -6.001 . . . . . . . 37 GLU H . 37 GLU N 17613 2 26 DHN . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU N N 15 . -3.482 . . . . . . . 38 LEU H . 38 LEU N 17613 2 27 DHN . 1 1 41 41 GLU H H 1 . . 1 1 41 41 GLU N N 15 . -3.602 . . . . . . . 41 GLU H . 41 GLU N 17613 2 28 DHN . 1 1 42 42 MET H H 1 . . 1 1 42 42 MET N N 15 . -4.442 . . . . . . . 42 MET H . 42 MET N 17613 2 29 DHN . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS N N 15 . -12.249 . . . . . . . 43 LYS H . 43 LYS N 17613 2 30 DHN . 1 1 44 44 LYS H H 1 . . 1 1 44 44 LYS N N 15 . -9.137 . . . . . . . 44 LYS H . 44 LYS N 17613 2 31 DHN . 1 1 45 45 LEU H H 1 . . 1 1 45 45 LEU N N 15 . -3.386 . . . . . . . 45 LEU H . 45 LEU N 17613 2 32 DHN . 1 1 47 47 GLU H H 1 . . 1 1 47 47 GLU N N 15 . -12.227 . . . . . . . 47 GLU H . 47 GLU N 17613 2 33 DHN . 1 1 48 48 GLU H H 1 . . 1 1 48 48 GLU N N 15 . 1.840 . . . . . . . 48 GLU H . 48 GLU N 17613 2 34 DHN . 1 1 53 53 LYS H H 1 . . 1 1 53 53 LYS N N 15 . 7.347 . . . . . . . 53 LYS H . 53 LYS N 17613 2 35 DHN . 1 1 54 54 ILE H H 1 . . 1 1 54 54 ILE N N 15 . -1.495 . . . . . . . 54 ILE H . 54 ILE N 17613 2 36 DHN . 1 1 55 55 LEU H H 1 . . 1 1 55 55 LEU N N 15 . 7.592 . . . . . . . 55 LEU H . 55 LEU N 17613 2 37 DHN . 1 1 56 56 ILE H H 1 . . 1 1 56 56 ILE N N 15 . 3.146 . . . . . . . 56 ILE H . 56 ILE N 17613 2 38 DHN . 1 1 57 57 ILE H H 1 . . 1 1 57 57 ILE N N 15 . 10.029 . . . . . . . 57 ILE H . 57 ILE N 17613 2 39 DHN . 1 1 58 58 SER H H 1 . . 1 1 58 58 SER N N 15 . 6.245 . . . . . . . 58 SER H . 58 SER N 17613 2 40 DHN . 1 1 59 59 ASN H H 1 . . 1 1 59 59 ASN N N 15 . 7.297 . . . . . . . 59 ASN H . 59 ASN N 17613 2 41 DHN . 1 1 60 60 ASP H H 1 . . 1 1 60 60 ASP N N 15 . 0.190 . . . . . . . 60 ASP H . 60 ASP N 17613 2 42 DHN . 1 1 61 61 LYS H H 1 . . 1 1 61 61 LYS N N 15 . -8.433 . . . . . . . 61 LYS H . 61 LYS N 17613 2 43 DHN . 1 1 62 62 GLN H H 1 . . 1 1 62 62 GLN N N 15 . -13.595 . . . . . . . 62 GLN H . 62 GLN N 17613 2 44 DHN . 1 1 63 63 LEU H H 1 . . 1 1 63 63 LEU N N 15 . -11.503 . . . . . . . 63 LEU H . 63 LEU N 17613 2 45 DHN . 1 1 67 67 MET H H 1 . . 1 1 67 67 MET N N 15 . -12.856 . . . . . . . 67 MET H . 67 MET N 17613 2 46 DHN . 1 1 68 68 LEU H H 1 . . 1 1 68 68 LEU N N 15 . -7.756 . . . . . . . 68 LEU H . 68 LEU N 17613 2 47 DHN . 1 1 70 70 LEU H H 1 . . 1 1 70 70 LEU N N 15 . -13.614 . . . . . . . 70 LEU H . 70 LEU N 17613 2 48 DHN . 1 1 71 71 ILE H H 1 . . 1 1 71 71 ILE N N 15 . -8.430 . . . . . . . 71 ILE H . 71 ILE N 17613 2 49 DHN . 1 1 72 72 SER H H 1 . . 1 1 72 72 SER N N 15 . -5.781 . . . . . . . 72 SER H . 72 SER N 17613 2 50 DHN . 1 1 73 73 LYS H H 1 . . 1 1 73 73 LYS N N 15 . -8.177 . . . . . . . 73 LYS H . 73 LYS N 17613 2 51 DHN . 1 1 76 76 TYR H H 1 . . 1 1 76 76 TYR N N 15 . 0.633 . . . . . . . 76 TYR H . 76 TYR N 17613 2 52 DHN . 1 1 78 78 VAL H H 1 . . 1 1 78 78 VAL N N 15 . 0.989 . . . . . . . 78 VAL H . 78 VAL N 17613 2 53 DHN . 1 1 79 79 PHE H H 1 . . 1 1 79 79 PHE N N 15 . 7.590 . . . . . . . 79 PHE H . 79 PHE N 17613 2 54 DHN . 1 1 81 81 LEU H H 1 . . 1 1 81 81 LEU N N 15 . 8.322 . . . . . . . 81 LEU H . 81 LEU N 17613 2 55 DHN . 1 1 82 82 LEU H H 1 . . 1 1 82 82 LEU N N 15 . 1.540 . . . . . . . 82 LEU H . 82 LEU N 17613 2 56 DHN . 1 1 83 83 GLN H H 1 . . 1 1 83 83 GLN N N 15 . 6.212 . . . . . . . 83 GLN H . 83 GLN N 17613 2 57 DHN . 1 1 84 84 ASP H H 1 . . 1 1 84 84 ASP N N 15 . 1.878 . . . . . . . 84 ASP H . 84 ASP N 17613 2 58 DHN . 1 1 85 85 GLN H H 1 . . 1 1 85 85 GLN N N 15 . -0.629 . . . . . . . 85 GLN H . 85 GLN N 17613 2 59 DHN . 1 1 86 86 ASP H H 1 . . 1 1 86 86 ASP N N 15 . 4.039 . . . . . . . 86 ASP H . 86 ASP N 17613 2 60 DHN . 1 1 87 87 GLU H H 1 . . 1 1 87 87 GLU N N 15 . -2.879 . . . . . . . 87 GLU H . 87 GLU N 17613 2 61 DHN . 1 1 89 89 GLU H H 1 . . 1 1 89 89 GLU N N 15 . -7.852 . . . . . . . 89 GLU H . 89 GLU N 17613 2 62 DHN . 1 1 91 91 GLU H H 1 . . 1 1 91 91 GLU N N 15 . -5.885 . . . . . . . 91 GLU H . 91 GLU N 17613 2 63 DHN . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU N N 15 . -8.060 . . . . . . . 92 GLU H . 92 GLU N 17613 2 64 DHN . 1 1 94 94 LYS H H 1 . . 1 1 94 94 LYS N N 15 . -5.043 . . . . . . . 94 LYS H . 94 LYS N 17613 2 65 DHN . 1 1 95 95 ARG H H 1 . . 1 1 95 95 ARG N N 15 . -7.429 . . . . . . . 95 ARG H . 95 ARG N 17613 2 66 DHN . 1 1 98 98 GLU H H 1 . . 1 1 98 98 GLU N N 15 . -4.778 . . . . . . . 98 GLU H . 98 GLU N 17613 2 67 DHN . 1 1 99 99 SER H H 1 . . 1 1 99 99 SER N N 15 . -6.601 . . . . . . . 99 SER H . 99 SER N 17613 2 68 DHN . 1 1 102 102 TYR H H 1 . . 1 1 102 102 TYR N N 15 . 4.176 . . . . . . . 102 TYR H . 102 TYR N 17613 2 69 DHN . 1 1 104 104 VAL H H 1 . . 1 1 104 104 VAL N N 15 . 4.812 . . . . . . . 104 VAL H . 104 VAL N 17613 2 70 DHN . 1 1 105 105 ARG H H 1 . . 1 1 105 105 ARG N N 15 . 8.048 . . . . . . . 105 ARG H . 105 ARG N 17613 2 71 DHN . 1 1 106 106 LYS H H 1 . . 1 1 106 106 LYS N N 15 . 2.189 . . . . . . . 106 LYS H . 106 LYS N 17613 2 72 DHN . 1 1 108 108 THR H H 1 . . 1 1 108 108 THR N N 15 . 0.836 . . . . . . . 108 THR H . 108 THR N 17613 2 73 DHN . 1 1 109 109 ASP H H 1 . . 1 1 109 109 ASP N N 15 . -6.605 . . . . . . . 109 ASP H . 109 ASP N 17613 2 74 DHN . 1 1 110 110 ASP H H 1 . . 1 1 110 110 ASP N N 15 . -10.673 . . . . . . . 110 ASP H . 110 ASP N 17613 2 75 DHN . 1 1 111 111 GLU H H 1 . . 1 1 111 111 GLU N N 15 . -0.055 . . . . . . . 111 GLU H . 111 GLU N 17613 2 76 DHN . 1 1 112 112 GLU H H 1 . . 1 1 112 112 GLU N N 15 . -5.135 . . . . . . . 112 GLU H . 112 GLU N 17613 2 77 DHN . 1 1 114 114 LEU H H 1 . . 1 1 114 114 LEU N N 15 . -10.031 . . . . . . . 114 LEU H . 114 LEU N 17613 2 78 DHN . 1 1 116 116 ILE H H 1 . . 1 1 116 116 ILE N N 15 . -9.336 . . . . . . . 116 ILE H . 116 ILE N 17613 2 79 DHN . 1 1 119 119 GLU H H 1 . . 1 1 119 119 GLU N N 15 . -6.362 . . . . . . . 119 GLU H . 119 GLU N 17613 2 80 DHN . 1 1 120 120 PHE H H 1 . . 1 1 120 120 PHE N N 15 . -11.846 . . . . . . . 120 PHE H . 120 PHE N 17613 2 81 DHN . 1 1 121 121 MET H H 1 . . 1 1 121 121 MET N N 15 . -13.762 . . . . . . . 121 MET H . 121 MET N 17613 2 82 DHN . 1 1 122 122 GLN H H 1 . . 1 1 122 122 GLN N N 15 . -5.881 . . . . . . . 122 GLN H . 122 GLN N 17613 2 83 DHN . 1 1 123 123 LYS H H 1 . . 1 1 123 123 LYS N N 15 . -9.774 . . . . . . . 123 LYS H . 123 LYS N 17613 2 84 DHN . 1 1 124 124 ALA H H 1 . . 1 1 124 124 ALA N N 15 . -16.184 . . . . . . . 124 ALA H . 124 ALA N 17613 2 85 DHN . 1 1 125 125 GLY H H 1 . . 1 1 125 125 GLY N N 15 . -5.953 . . . . . . . 125 GLY H . 125 GLY N 17613 2 86 DHN . 1 1 126 126 SER H H 1 . . 1 1 126 126 SER N N 15 . 0.290 . . . . . . . 126 SER H . 126 SER N 17613 2 87 DHN . 1 1 127 127 LEU H H 1 . . 1 1 127 127 LEU N N 15 . -10.540 . . . . . . . 127 LEU H . 127 LEU N 17613 2 88 DHN . 1 1 131 131 HIS H H 1 . . 1 1 131 131 HIS N N 15 . -3.240 . . . . . . . 131 HIS H . 131 HIS N 17613 2 stop_ save_