data_27592 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27592 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for BM13851 strain of P[8] VP8* rotavirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-24 _Entry.Accession_date 2018-08-24 _Entry.Last_release_date 2018-08-24 _Entry.Original_release_date 2018-08-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Michael Kennedy . . . . 27592 2 Shenyuan Xu . . . . 27592 3 Xi Jiang . . . . 27592 4 Yang Liu . . . . 27592 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Miami University' . 27592 2 . "Cincinnati Children's Hospital Medical Center" . 27592 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27592 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 27592 '15N chemical shifts' 148 27592 '1H chemical shifts' 148 27592 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2020-08-20 2018-08-24 update BMRB 'update entry citation' 27592 2 . . 2020-03-30 2018-08-24 update BMRB 'update entry citation' 27592 1 . . 2020-03-10 2018-08-24 original author 'original release' 27592 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27591 'BM11596 strain of P[6] VP8* rotavirus' 27592 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27592 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32208455 _Citation.DOI 10.1371/journal.ppat.1008386 _Citation.Full_citation . _Citation.Title ; Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS Pathogens' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1553-7374 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e1008386 _Citation.Page_last e1008386 _Citation.Year 2020 _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 Shenyuan Xu . . . . 27592 1 2 Luay Ahmed . U. . . 27592 1 3 Michael Stuckert . R. . . 27592 1 4 Kristen McGinnis . R. . . 27592 1 5 Yang Liu . . . . 27592 1 6 Ming Tan . . . . 27592 1 7 Pengwei Huang . . . . 27592 1 8 Weiming Zhong . . . . 27592 1 9 Dandan Zhao . . . . 27592 1 10 Xi Jiang . . . . 27592 1 11 Michael Kennedy . A. . . 27592 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'P[8] VP8*' 27592 1 'backbone assignment' 27592 1 rotavirus 27592 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27592 _Assembly.ID 1 _Assembly.Name 'BM13851 strain of P[8] VP8* rotavirus' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18529 _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 'BM13851 strain of P[8] VP8* rotavirus' 1 $BM13851 A . yes native no no . . . 27592 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BM13851 _Entity.Sf_category entity _Entity.Sf_framecode BM13851 _Entity.Entry_ID 27592 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BM13851 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSILDGPYQPTTFTPPTDYW ILINSNTNGVVYESTNNSDF WTAVIAVEPHVNPVDRQYNV FGENKQFNVRNDSDKWKFLE MFRGSSQNDFYNRRTLTSDT RLVGILKYGGRIWTFHGETP RATTDSSNTANLNGISITIH SEFYIIPRSQESKCNEYINN GL ; _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Rotavirus Penetration' 27592 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27592 1 2 . SER . 27592 1 3 . ILE . 27592 1 4 . LEU . 27592 1 5 . ASP . 27592 1 6 . GLY . 27592 1 7 . PRO . 27592 1 8 . TYR . 27592 1 9 . GLN . 27592 1 10 . PRO . 27592 1 11 . THR . 27592 1 12 . THR . 27592 1 13 . PHE . 27592 1 14 . THR . 27592 1 15 . PRO . 27592 1 16 . PRO . 27592 1 17 . THR . 27592 1 18 . ASP . 27592 1 19 . TYR . 27592 1 20 . TRP . 27592 1 21 . ILE . 27592 1 22 . LEU . 27592 1 23 . ILE . 27592 1 24 . ASN . 27592 1 25 . SER . 27592 1 26 . ASN . 27592 1 27 . THR . 27592 1 28 . ASN . 27592 1 29 . GLY . 27592 1 30 . VAL . 27592 1 31 . VAL . 27592 1 32 . TYR . 27592 1 33 . GLU . 27592 1 34 . SER . 27592 1 35 . THR . 27592 1 36 . ASN . 27592 1 37 . ASN . 27592 1 38 . SER . 27592 1 39 . ASP . 27592 1 40 . PHE . 27592 1 41 . TRP . 27592 1 42 . THR . 27592 1 43 . ALA . 27592 1 44 . VAL . 27592 1 45 . ILE . 27592 1 46 . ALA . 27592 1 47 . VAL . 27592 1 48 . GLU . 27592 1 49 . PRO . 27592 1 50 . HIS . 27592 1 51 . VAL . 27592 1 52 . ASN . 27592 1 53 . PRO . 27592 1 54 . VAL . 27592 1 55 . ASP . 27592 1 56 . ARG . 27592 1 57 . GLN . 27592 1 58 . TYR . 27592 1 59 . ASN . 27592 1 60 . VAL . 27592 1 61 . PHE . 27592 1 62 . GLY . 27592 1 63 . GLU . 27592 1 64 . ASN . 27592 1 65 . LYS . 27592 1 66 . GLN . 27592 1 67 . PHE . 27592 1 68 . ASN . 27592 1 69 . VAL . 27592 1 70 . ARG . 27592 1 71 . ASN . 27592 1 72 . ASP . 27592 1 73 . SER . 27592 1 74 . ASP . 27592 1 75 . LYS . 27592 1 76 . TRP . 27592 1 77 . LYS . 27592 1 78 . PHE . 27592 1 79 . LEU . 27592 1 80 . GLU . 27592 1 81 . MET . 27592 1 82 . PHE . 27592 1 83 . ARG . 27592 1 84 . GLY . 27592 1 85 . SER . 27592 1 86 . SER . 27592 1 87 . GLN . 27592 1 88 . ASN . 27592 1 89 . ASP . 27592 1 90 . PHE . 27592 1 91 . TYR . 27592 1 92 . ASN . 27592 1 93 . ARG . 27592 1 94 . ARG . 27592 1 95 . THR . 27592 1 96 . LEU . 27592 1 97 . THR . 27592 1 98 . SER . 27592 1 99 . ASP . 27592 1 100 . THR . 27592 1 101 . ARG . 27592 1 102 . LEU . 27592 1 103 . VAL . 27592 1 104 . GLY . 27592 1 105 . ILE . 27592 1 106 . LEU . 27592 1 107 . LYS . 27592 1 108 . TYR . 27592 1 109 . GLY . 27592 1 110 . GLY . 27592 1 111 . ARG . 27592 1 112 . ILE . 27592 1 113 . TRP . 27592 1 114 . THR . 27592 1 115 . PHE . 27592 1 116 . HIS . 27592 1 117 . GLY . 27592 1 118 . GLU . 27592 1 119 . THR . 27592 1 120 . PRO . 27592 1 121 . ARG . 27592 1 122 . ALA . 27592 1 123 . THR . 27592 1 124 . THR . 27592 1 125 . ASP . 27592 1 126 . SER . 27592 1 127 . SER . 27592 1 128 . ASN . 27592 1 129 . THR . 27592 1 130 . ALA . 27592 1 131 . ASN . 27592 1 132 . LEU . 27592 1 133 . ASN . 27592 1 134 . GLY . 27592 1 135 . ILE . 27592 1 136 . SER . 27592 1 137 . ILE . 27592 1 138 . THR . 27592 1 139 . ILE . 27592 1 140 . HIS . 27592 1 141 . SER . 27592 1 142 . GLU . 27592 1 143 . PHE . 27592 1 144 . TYR . 27592 1 145 . ILE . 27592 1 146 . ILE . 27592 1 147 . PRO . 27592 1 148 . ARG . 27592 1 149 . SER . 27592 1 150 . GLN . 27592 1 151 . GLU . 27592 1 152 . SER . 27592 1 153 . LYS . 27592 1 154 . CYS . 27592 1 155 . ASN . 27592 1 156 . GLU . 27592 1 157 . TYR . 27592 1 158 . ILE . 27592 1 159 . ASN . 27592 1 160 . ASN . 27592 1 161 . GLY . 27592 1 162 . LEU . 27592 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27592 1 . SER 2 2 27592 1 . ILE 3 3 27592 1 . LEU 4 4 27592 1 . ASP 5 5 27592 1 . GLY 6 6 27592 1 . PRO 7 7 27592 1 . TYR 8 8 27592 1 . GLN 9 9 27592 1 . PRO 10 10 27592 1 . THR 11 11 27592 1 . THR 12 12 27592 1 . PHE 13 13 27592 1 . THR 14 14 27592 1 . PRO 15 15 27592 1 . PRO 16 16 27592 1 . THR 17 17 27592 1 . ASP 18 18 27592 1 . TYR 19 19 27592 1 . TRP 20 20 27592 1 . ILE 21 21 27592 1 . LEU 22 22 27592 1 . ILE 23 23 27592 1 . ASN 24 24 27592 1 . SER 25 25 27592 1 . ASN 26 26 27592 1 . THR 27 27 27592 1 . ASN 28 28 27592 1 . GLY 29 29 27592 1 . VAL 30 30 27592 1 . VAL 31 31 27592 1 . TYR 32 32 27592 1 . GLU 33 33 27592 1 . SER 34 34 27592 1 . THR 35 35 27592 1 . ASN 36 36 27592 1 . ASN 37 37 27592 1 . SER 38 38 27592 1 . ASP 39 39 27592 1 . PHE 40 40 27592 1 . TRP 41 41 27592 1 . THR 42 42 27592 1 . ALA 43 43 27592 1 . VAL 44 44 27592 1 . ILE 45 45 27592 1 . ALA 46 46 27592 1 . VAL 47 47 27592 1 . GLU 48 48 27592 1 . PRO 49 49 27592 1 . HIS 50 50 27592 1 . VAL 51 51 27592 1 . ASN 52 52 27592 1 . PRO 53 53 27592 1 . VAL 54 54 27592 1 . ASP 55 55 27592 1 . ARG 56 56 27592 1 . GLN 57 57 27592 1 . TYR 58 58 27592 1 . ASN 59 59 27592 1 . VAL 60 60 27592 1 . PHE 61 61 27592 1 . GLY 62 62 27592 1 . GLU 63 63 27592 1 . ASN 64 64 27592 1 . LYS 65 65 27592 1 . GLN 66 66 27592 1 . PHE 67 67 27592 1 . ASN 68 68 27592 1 . VAL 69 69 27592 1 . ARG 70 70 27592 1 . ASN 71 71 27592 1 . ASP 72 72 27592 1 . SER 73 73 27592 1 . ASP 74 74 27592 1 . LYS 75 75 27592 1 . TRP 76 76 27592 1 . LYS 77 77 27592 1 . PHE 78 78 27592 1 . LEU 79 79 27592 1 . GLU 80 80 27592 1 . MET 81 81 27592 1 . PHE 82 82 27592 1 . ARG 83 83 27592 1 . GLY 84 84 27592 1 . SER 85 85 27592 1 . SER 86 86 27592 1 . GLN 87 87 27592 1 . ASN 88 88 27592 1 . ASP 89 89 27592 1 . PHE 90 90 27592 1 . TYR 91 91 27592 1 . ASN 92 92 27592 1 . ARG 93 93 27592 1 . ARG 94 94 27592 1 . THR 95 95 27592 1 . LEU 96 96 27592 1 . THR 97 97 27592 1 . SER 98 98 27592 1 . ASP 99 99 27592 1 . THR 100 100 27592 1 . ARG 101 101 27592 1 . LEU 102 102 27592 1 . VAL 103 103 27592 1 . GLY 104 104 27592 1 . ILE 105 105 27592 1 . LEU 106 106 27592 1 . LYS 107 107 27592 1 . TYR 108 108 27592 1 . GLY 109 109 27592 1 . GLY 110 110 27592 1 . ARG 111 111 27592 1 . ILE 112 112 27592 1 . TRP 113 113 27592 1 . THR 114 114 27592 1 . PHE 115 115 27592 1 . HIS 116 116 27592 1 . GLY 117 117 27592 1 . GLU 118 118 27592 1 . THR 119 119 27592 1 . PRO 120 120 27592 1 . ARG 121 121 27592 1 . ALA 122 122 27592 1 . THR 123 123 27592 1 . THR 124 124 27592 1 . ASP 125 125 27592 1 . SER 126 126 27592 1 . SER 127 127 27592 1 . ASN 128 128 27592 1 . THR 129 129 27592 1 . ALA 130 130 27592 1 . ASN 131 131 27592 1 . LEU 132 132 27592 1 . ASN 133 133 27592 1 . GLY 134 134 27592 1 . ILE 135 135 27592 1 . SER 136 136 27592 1 . ILE 137 137 27592 1 . THR 138 138 27592 1 . ILE 139 139 27592 1 . HIS 140 140 27592 1 . SER 141 141 27592 1 . GLU 142 142 27592 1 . PHE 143 143 27592 1 . TYR 144 144 27592 1 . ILE 145 145 27592 1 . ILE 146 146 27592 1 . PRO 147 147 27592 1 . ARG 148 148 27592 1 . SER 149 149 27592 1 . GLN 150 150 27592 1 . GLU 151 151 27592 1 . SER 152 152 27592 1 . LYS 153 153 27592 1 . CYS 154 154 27592 1 . ASN 155 155 27592 1 . GLU 156 156 27592 1 . TYR 157 157 27592 1 . ILE 158 158 27592 1 . ASN 159 159 27592 1 . ASN 160 160 27592 1 . GLY 161 161 27592 1 . LEU 162 162 27592 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 27592 _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 $BM13851 . 10912 organism . Rotavirus Rotavirus . . Viruses . Rotavirus . . . . . . . . . . . . . . 27592 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 27592 _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 $BM13851 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-4T-1 . . . 27592 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27592 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'P[8] VP8* polypeptide' '[U-13C; U-15N]' . . 1 $BM13851 . . 0.6 . . mM . . . . 27592 1 2 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 27592 1 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 27592 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27592 1 5 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 27592 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27592 _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 'ionic strength' 200 . mM 27592 1 pH 7.4 . pH 27592 1 pressure 1 . atm 27592 1 temperature 298 . K 27592 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27592 _Software.ID 1 _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' . . 27592 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27592 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27592 _Software.ID 2 _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 . . 27592 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27592 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27592 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27592 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27592 3 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 27592 _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 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 27592 _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 . 600 . . . 27592 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 27592 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27592 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27592 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27592 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27592 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27592 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27592 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27592 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 27592 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'methyl carbon' . . . . ppm 45 na direct 1.0 . . . . . 27592 1 H 1 water protons . . . . ppm 4.710 internal direct 1.0 . . . . . 27592 1 N 15 na nitrogen . . . . ppm 118 na direct 1.0 . . . . . 27592 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 27592 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27592 1 2 '3D CBCA(CO)NH' . . . 27592 1 3 '3D HNCO' . . . 27592 1 4 '3D HNCA' . . . 27592 1 5 '3D HNCACB' . . . 27592 1 6 '3D HN(CO)CA' . . . 27592 1 7 '3D HCACO' . . . 27592 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 27592 1 2 $SPARKY . . 27592 1 3 $PINE . . 27592 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 2 2 SER C C 13 172.988 0.00 . 1 . . . . . 2 SER C . 27592 1 2 . 1 . 1 2 2 SER CA C 13 57.640 0.00 . 1 . . . . . 2 SER CA . 27592 1 3 . 1 . 1 2 2 SER CB C 13 59.441 0.00 . 1 . . . . . 2 SER CB . 27592 1 4 . 1 . 1 3 3 ILE H H 1 7.918 0.00 . 1 . . . . . 3 ILE H . 27592 1 5 . 1 . 1 3 3 ILE C C 13 173.445 0.00 . 1 . . . . . 3 ILE C . 27592 1 6 . 1 . 1 3 3 ILE N N 15 121.141 0.00 . 1 . . . . . 3 ILE N . 27592 1 7 . 1 . 1 4 4 LEU H H 1 7.950 0.00 . 1 . . . . . 4 LEU H . 27592 1 8 . 1 . 1 4 4 LEU C C 13 173.082 0.01 . 1 . . . . . 4 LEU C . 27592 1 9 . 1 . 1 4 4 LEU CA C 13 52.226 0.02 . 1 . . . . . 4 LEU CA . 27592 1 10 . 1 . 1 4 4 LEU CB C 13 40.698 0.03 . 1 . . . . . 4 LEU CB . 27592 1 11 . 1 . 1 4 4 LEU N N 15 122.481 0.01 . 1 . . . . . 4 LEU N . 27592 1 12 . 1 . 1 5 5 ASP H H 1 8.716 0.00 . 1 . . . . . 5 ASP H . 27592 1 13 . 1 . 1 5 5 ASP C C 13 171.714 0.01 . 1 . . . . . 5 ASP C . 27592 1 14 . 1 . 1 5 5 ASP CA C 13 51.395 0.06 . 1 . . . . . 5 ASP CA . 27592 1 15 . 1 . 1 5 5 ASP CB C 13 38.758 0.07 . 1 . . . . . 5 ASP CB . 27592 1 16 . 1 . 1 5 5 ASP N N 15 126.219 0.00 . 1 . . . . . 5 ASP N . 27592 1 17 . 1 . 1 6 6 GLY H H 1 7.791 0.00 . 1 . . . . . 6 GLY H . 27592 1 18 . 1 . 1 6 6 GLY C C 13 167.984 0.00 . 1 . . . . . 6 GLY C . 27592 1 19 . 1 . 1 6 6 GLY CA C 13 40.971 0.04 . 1 . . . . . 6 GLY CA . 27592 1 20 . 1 . 1 6 6 GLY N N 15 110.987 0.00 . 1 . . . . . 6 GLY N . 27592 1 21 . 1 . 1 7 7 PRO C C 13 172.748 0.00 . 1 . . . . . 7 PRO C . 27592 1 22 . 1 . 1 7 7 PRO CA C 13 58.534 0.06 . 1 . . . . . 7 PRO CA . 27592 1 23 . 1 . 1 7 7 PRO CB C 13 31.570 0.08 . 1 . . . . . 7 PRO CB . 27592 1 24 . 1 . 1 8 8 TYR H H 1 9.091 0.00 . 1 . . . . . 8 TYR H . 27592 1 25 . 1 . 1 8 8 TYR C C 13 171.744 0.01 . 1 . . . . . 8 TYR C . 27592 1 26 . 1 . 1 8 8 TYR CA C 13 53.890 0.02 . 1 . . . . . 8 TYR CA . 27592 1 27 . 1 . 1 8 8 TYR CB C 13 36.320 0.08 . 1 . . . . . 8 TYR CB . 27592 1 28 . 1 . 1 8 8 TYR N N 15 123.375 0.00 . 1 . . . . . 8 TYR N . 27592 1 29 . 1 . 1 9 9 GLN H H 1 7.928 0.00 . 1 . . . . . 9 GLN H . 27592 1 30 . 1 . 1 9 9 GLN C C 13 170.258 0.00 . 1 . . . . . 9 GLN C . 27592 1 31 . 1 . 1 9 9 GLN CA C 13 50.784 0.03 . 1 . . . . . 9 GLN CA . 27592 1 32 . 1 . 1 9 9 GLN CB C 13 25.001 0.00 . 1 . . . . . 9 GLN CB . 27592 1 33 . 1 . 1 9 9 GLN N N 15 117.219 0.00 . 1 . . . . . 9 GLN N . 27592 1 34 . 1 . 1 10 10 PRO C C 13 172.794 0.01 . 1 . . . . . 10 PRO C . 27592 1 35 . 1 . 1 10 10 PRO CA C 13 62.528 0.03 . 1 . . . . . 10 PRO CA . 27592 1 36 . 1 . 1 10 10 PRO CB C 13 29.758 0.08 . 1 . . . . . 10 PRO CB . 27592 1 37 . 1 . 1 11 11 THR H H 1 7.294 0.00 . 1 . . . . . 11 THR H . 27592 1 38 . 1 . 1 11 11 THR C C 13 169.555 0.02 . 1 . . . . . 11 THR C . 27592 1 39 . 1 . 1 11 11 THR CA C 13 57.820 0.09 . 1 . . . . . 11 THR CA . 27592 1 40 . 1 . 1 11 11 THR CB C 13 65.174 0.15 . 1 . . . . . 11 THR CB . 27592 1 41 . 1 . 1 11 11 THR N N 15 115.093 0.00 . 1 . . . . . 11 THR N . 27592 1 42 . 1 . 1 12 12 THR H H 1 8.041 0.00 . 1 . . . . . 12 THR H . 27592 1 43 . 1 . 1 12 12 THR C C 13 170.832 0.02 . 1 . . . . . 12 THR C . 27592 1 44 . 1 . 1 12 12 THR CA C 13 59.021 0.06 . 1 . . . . . 12 THR CA . 27592 1 45 . 1 . 1 12 12 THR CB C 13 68.858 0.09 . 1 . . . . . 12 THR CB . 27592 1 46 . 1 . 1 12 12 THR N N 15 118.988 0.01 . 1 . . . . . 12 THR N . 27592 1 47 . 1 . 1 13 13 PHE H H 1 9.262 0.00 . 1 . . . . . 13 PHE H . 27592 1 48 . 1 . 1 13 13 PHE C C 13 170.351 0.01 . 1 . . . . . 13 PHE C . 27592 1 49 . 1 . 1 13 13 PHE CA C 13 52.728 0.06 . 1 . . . . . 13 PHE CA . 27592 1 50 . 1 . 1 13 13 PHE CB C 13 36.764 0.04 . 1 . . . . . 13 PHE CB . 27592 1 51 . 1 . 1 13 13 PHE N N 15 124.188 0.00 . 1 . . . . . 13 PHE N . 27592 1 52 . 1 . 1 14 14 THR H H 1 8.833 0.00 . 1 . . . . . 14 THR H . 27592 1 53 . 1 . 1 14 14 THR C C 13 169.701 0.00 . 1 . . . . . 14 THR C . 27592 1 54 . 1 . 1 14 14 THR CA C 13 57.072 0.02 . 1 . . . . . 14 THR CA . 27592 1 55 . 1 . 1 14 14 THR CB C 13 66.466 0.00 . 1 . . . . . 14 THR CB . 27592 1 56 . 1 . 1 14 14 THR N N 15 119.271 0.01 . 1 . . . . . 14 THR N . 27592 1 57 . 1 . 1 16 16 PRO C C 13 174.159 0.01 . 1 . . . . . 16 PRO C . 27592 1 58 . 1 . 1 16 16 PRO CA C 13 58.995 0.02 . 1 . . . . . 16 PRO CA . 27592 1 59 . 1 . 1 16 16 PRO CB C 13 28.957 0.07 . 1 . . . . . 16 PRO CB . 27592 1 60 . 1 . 1 17 17 THR H H 1 8.396 0.00 . 1 . . . . . 17 THR H . 27592 1 61 . 1 . 1 17 17 THR C C 13 172.168 0.01 . 1 . . . . . 17 THR C . 27592 1 62 . 1 . 1 17 17 THR CA C 13 60.536 0.06 . 1 . . . . . 17 THR CA . 27592 1 63 . 1 . 1 17 17 THR CB C 13 66.691 0.16 . 1 . . . . . 17 THR CB . 27592 1 64 . 1 . 1 17 17 THR N N 15 114.359 0.00 . 1 . . . . . 17 THR N . 27592 1 65 . 1 . 1 18 18 ASP H H 1 8.985 0.00 . 1 . . . . . 18 ASP H . 27592 1 66 . 1 . 1 18 18 ASP C C 13 171.731 0.00 . 1 . . . . . 18 ASP C . 27592 1 67 . 1 . 1 18 18 ASP CA C 13 55.100 0.09 . 1 . . . . . 18 ASP CA . 27592 1 68 . 1 . 1 18 18 ASP CB C 13 35.831 0.17 . 1 . . . . . 18 ASP CB . 27592 1 69 . 1 . 1 18 18 ASP N N 15 113.406 0.00 . 1 . . . . . 18 ASP N . 27592 1 70 . 1 . 1 19 19 TYR H H 1 7.333 0.00 . 1 . . . . . 19 TYR H . 27592 1 71 . 1 . 1 19 19 TYR C C 13 172.423 0.01 . 1 . . . . . 19 TYR C . 27592 1 72 . 1 . 1 19 19 TYR CA C 13 55.470 0.11 . 1 . . . . . 19 TYR CA . 27592 1 73 . 1 . 1 19 19 TYR CB C 13 38.583 0.09 . 1 . . . . . 19 TYR CB . 27592 1 74 . 1 . 1 19 19 TYR N N 15 116.656 0.00 . 1 . . . . . 19 TYR N . 27592 1 75 . 1 . 1 20 20 TRP H H 1 9.597 0.00 . 1 . . . . . 20 TRP H . 27592 1 76 . 1 . 1 20 20 TRP C C 13 172.685 0.03 . 1 . . . . . 20 TRP C . 27592 1 77 . 1 . 1 20 20 TRP CA C 13 55.950 0.08 . 1 . . . . . 20 TRP CA . 27592 1 78 . 1 . 1 20 20 TRP CB C 13 27.739 0.00 . 1 . . . . . 20 TRP CB . 27592 1 79 . 1 . 1 20 20 TRP N N 15 124.719 0.00 . 1 . . . . . 20 TRP N . 27592 1 80 . 1 . 1 21 21 ILE H H 1 9.351 0.00 . 1 . . . . . 21 ILE H . 27592 1 81 . 1 . 1 21 21 ILE C C 13 172.385 0.01 . 1 . . . . . 21 ILE C . 27592 1 82 . 1 . 1 21 21 ILE CA C 13 57.025 0.03 . 1 . . . . . 21 ILE CA . 27592 1 83 . 1 . 1 21 21 ILE CB C 13 34.446 0.18 . 1 . . . . . 21 ILE CB . 27592 1 84 . 1 . 1 21 21 ILE N N 15 124.235 0.00 . 1 . . . . . 21 ILE N . 27592 1 85 . 1 . 1 22 22 LEU H H 1 9.233 0.00 . 1 . . . . . 22 LEU H . 27592 1 86 . 1 . 1 22 22 LEU C C 13 172.454 0.06 . 1 . . . . . 22 LEU C . 27592 1 87 . 1 . 1 22 22 LEU CA C 13 50.556 0.13 . 1 . . . . . 22 LEU CA . 27592 1 88 . 1 . 1 22 22 LEU CB C 13 42.321 0.21 . 1 . . . . . 22 LEU CB . 27592 1 89 . 1 . 1 22 22 LEU N N 15 128.907 0.00 . 1 . . . . . 22 LEU N . 27592 1 90 . 1 . 1 23 23 ILE H H 1 9.579 0.00 . 1 . . . . . 23 ILE H . 27592 1 91 . 1 . 1 23 23 ILE C C 13 171.662 0.01 . 1 . . . . . 23 ILE C . 27592 1 92 . 1 . 1 23 23 ILE CA C 13 58.760 0.06 . 1 . . . . . 23 ILE CA . 27592 1 93 . 1 . 1 23 23 ILE CB C 13 38.027 0.10 . 1 . . . . . 23 ILE CB . 27592 1 94 . 1 . 1 23 23 ILE N N 15 126.610 0.00 . 1 . . . . . 23 ILE N . 27592 1 95 . 1 . 1 24 24 ASN H H 1 8.605 0.00 . 1 . . . . . 24 ASN H . 27592 1 96 . 1 . 1 24 24 ASN C C 13 171.512 0.01 . 1 . . . . . 24 ASN C . 27592 1 97 . 1 . 1 24 24 ASN CA C 13 48.415 0.05 . 1 . . . . . 24 ASN CA . 27592 1 98 . 1 . 1 24 24 ASN CB C 13 35.581 0.07 . 1 . . . . . 24 ASN CB . 27592 1 99 . 1 . 1 24 24 ASN N N 15 124.875 0.00 . 1 . . . . . 24 ASN N . 27592 1 100 . 1 . 1 25 25 SER H H 1 8.080 0.00 . 1 . . . . . 25 SER H . 27592 1 101 . 1 . 1 25 25 SER C C 13 171.488 0.03 . 1 . . . . . 25 SER C . 27592 1 102 . 1 . 1 25 25 SER CA C 13 56.147 0.08 . 1 . . . . . 25 SER CA . 27592 1 103 . 1 . 1 25 25 SER CB C 13 60.307 0.07 . 1 . . . . . 25 SER CB . 27592 1 104 . 1 . 1 25 25 SER N N 15 118.516 0.00 . 1 . . . . . 25 SER N . 27592 1 105 . 1 . 1 26 26 ASN H H 1 7.887 0.00 . 1 . . . . . 26 ASN H . 27592 1 106 . 1 . 1 26 26 ASN C C 13 171.992 0.01 . 1 . . . . . 26 ASN C . 27592 1 107 . 1 . 1 26 26 ASN CA C 13 49.640 0.05 . 1 . . . . . 26 ASN CA . 27592 1 108 . 1 . 1 26 26 ASN CB C 13 36.671 0.13 . 1 . . . . . 26 ASN CB . 27592 1 109 . 1 . 1 26 26 ASN N N 15 123.563 0.00 . 1 . . . . . 26 ASN N . 27592 1 110 . 1 . 1 27 27 THR H H 1 7.486 0.00 . 1 . . . . . 27 THR H . 27592 1 111 . 1 . 1 27 27 THR C C 13 169.446 0.00 . 1 . . . . . 27 THR C . 27592 1 112 . 1 . 1 27 27 THR CA C 13 57.160 0.13 . 1 . . . . . 27 THR CA . 27592 1 113 . 1 . 1 27 27 THR CB C 13 67.616 0.15 . 1 . . . . . 27 THR CB . 27592 1 114 . 1 . 1 27 27 THR N N 15 112.484 0.00 . 1 . . . . . 27 THR N . 27592 1 115 . 1 . 1 28 28 ASN H H 1 8.356 0.00 . 1 . . . . . 28 ASN H . 27592 1 116 . 1 . 1 28 28 ASN C C 13 172.572 0.01 . 1 . . . . . 28 ASN C . 27592 1 117 . 1 . 1 28 28 ASN CA C 13 49.680 0.09 . 1 . . . . . 28 ASN CA . 27592 1 118 . 1 . 1 28 28 ASN CB C 13 35.471 0.02 . 1 . . . . . 28 ASN CB . 27592 1 119 . 1 . 1 28 28 ASN N N 15 117.187 0.00 . 1 . . . . . 28 ASN N . 27592 1 120 . 1 . 1 29 29 GLY H H 1 8.080 0.00 . 1 . . . . . 29 GLY H . 27592 1 121 . 1 . 1 29 29 GLY C C 13 170.539 0.01 . 1 . . . . . 29 GLY C . 27592 1 122 . 1 . 1 29 29 GLY CA C 13 42.000 0.03 . 1 . . . . . 29 GLY CA . 27592 1 123 . 1 . 1 29 29 GLY N N 15 106.281 0.00 . 1 . . . . . 29 GLY N . 27592 1 124 . 1 . 1 30 30 VAL H H 1 8.551 0.00 . 1 . . . . . 30 VAL H . 27592 1 125 . 1 . 1 30 30 VAL C C 13 173.641 0.01 . 1 . . . . . 30 VAL C . 27592 1 126 . 1 . 1 30 30 VAL CA C 13 60.974 0.08 . 1 . . . . . 30 VAL CA . 27592 1 127 . 1 . 1 30 30 VAL CB C 13 28.814 0.06 . 1 . . . . . 30 VAL CB . 27592 1 128 . 1 . 1 30 30 VAL N N 15 122.406 0.00 . 1 . . . . . 30 VAL N . 27592 1 129 . 1 . 1 31 31 VAL H H 1 9.444 0.01 . 1 . . . . . 31 VAL H . 27592 1 130 . 1 . 1 31 31 VAL C C 13 173.666 0.01 . 1 . . . . . 31 VAL C . 27592 1 131 . 1 . 1 31 31 VAL CA C 13 61.943 0.11 . 1 . . . . . 31 VAL CA . 27592 1 132 . 1 . 1 31 31 VAL CB C 13 31.076 0.08 . 1 . . . . . 31 VAL CB . 27592 1 133 . 1 . 1 31 31 VAL N N 15 129.813 0.00 . 1 . . . . . 31 VAL N . 27592 1 134 . 1 . 1 32 32 TYR H H 1 7.039 0.00 . 1 . . . . . 32 TYR H . 27592 1 135 . 1 . 1 32 32 TYR C C 13 169.750 0.01 . 1 . . . . . 32 TYR C . 27592 1 136 . 1 . 1 32 32 TYR CA C 13 53.405 0.08 . 1 . . . . . 32 TYR CA . 27592 1 137 . 1 . 1 32 32 TYR CB C 13 37.570 0.13 . 1 . . . . . 32 TYR CB . 27592 1 138 . 1 . 1 32 32 TYR N N 15 109.796 0.00 . 1 . . . . . 32 TYR N . 27592 1 139 . 1 . 1 33 33 GLU H H 1 8.892 0.00 . 1 . . . . . 33 GLU H . 27592 1 140 . 1 . 1 33 33 GLU C C 13 172.236 0.01 . 1 . . . . . 33 GLU C . 27592 1 141 . 1 . 1 33 33 GLU CA C 13 52.420 0.13 . 1 . . . . . 33 GLU CA . 27592 1 142 . 1 . 1 33 33 GLU CB C 13 31.280 0.13 . 1 . . . . . 33 GLU CB . 27592 1 143 . 1 . 1 33 33 GLU N N 15 118.688 0.00 . 1 . . . . . 33 GLU N . 27592 1 144 . 1 . 1 34 34 SER H H 1 10.046 0.01 . 1 . . . . . 34 SER H . 27592 1 145 . 1 . 1 34 34 SER C C 13 170.662 0.00 . 1 . . . . . 34 SER C . 27592 1 146 . 1 . 1 34 34 SER CA C 13 53.607 0.10 . 1 . . . . . 34 SER CA . 27592 1 147 . 1 . 1 34 34 SER CB C 13 64.010 0.07 . 1 . . . . . 34 SER CB . 27592 1 148 . 1 . 1 34 34 SER N N 15 120.594 0.00 . 1 . . . . . 34 SER N . 27592 1 149 . 1 . 1 35 35 THR H H 1 8.384 0.00 . 1 . . . . . 35 THR H . 27592 1 150 . 1 . 1 35 35 THR C C 13 169.605 0.01 . 1 . . . . . 35 THR C . 27592 1 151 . 1 . 1 35 35 THR CA C 13 56.900 0.15 . 1 . . . . . 35 THR CA . 27592 1 152 . 1 . 1 35 35 THR CB C 13 67.578 0.02 . 1 . . . . . 35 THR CB . 27592 1 153 . 1 . 1 35 35 THR N N 15 118.734 0.00 . 1 . . . . . 35 THR N . 27592 1 154 . 1 . 1 36 36 ASN H H 1 7.239 0.01 . 1 . . . . . 36 ASN H . 27592 1 155 . 1 . 1 36 36 ASN C C 13 172.773 0.02 . 1 . . . . . 36 ASN C . 27592 1 156 . 1 . 1 36 36 ASN CA C 13 49.343 0.06 . 1 . . . . . 36 ASN CA . 27592 1 157 . 1 . 1 36 36 ASN CB C 13 35.689 0.00 . 1 . . . . . 36 ASN CB . 27592 1 158 . 1 . 1 36 36 ASN N N 15 120.555 0.00 . 1 . . . . . 36 ASN N . 27592 1 159 . 1 . 1 37 37 ASN H H 1 9.299 0.01 . 1 . . . . . 37 ASN H . 27592 1 160 . 1 . 1 37 37 ASN C C 13 170.840 0.03 . 1 . . . . . 37 ASN C . 27592 1 161 . 1 . 1 37 37 ASN CA C 13 52.930 0.07 . 1 . . . . . 37 ASN CA . 27592 1 162 . 1 . 1 37 37 ASN CB C 13 35.635 0.13 . 1 . . . . . 37 ASN CB . 27592 1 163 . 1 . 1 37 37 ASN N N 15 115.390 0.00 . 1 . . . . . 37 ASN N . 27592 1 164 . 1 . 1 38 38 SER H H 1 7.806 0.00 . 1 . . . . . 38 SER H . 27592 1 165 . 1 . 1 38 38 SER C C 13 170.615 0.00 . 1 . . . . . 38 SER C . 27592 1 166 . 1 . 1 38 38 SER CA C 13 56.945 0.09 . 1 . . . . . 38 SER CA . 27592 1 167 . 1 . 1 38 38 SER CB C 13 61.603 0.10 . 1 . . . . . 38 SER CB . 27592 1 168 . 1 . 1 38 38 SER N N 15 112.390 0.00 . 1 . . . . . 38 SER N . 27592 1 169 . 1 . 1 39 39 ASP H H 1 7.987 0.00 . 1 . . . . . 39 ASP H . 27592 1 170 . 1 . 1 39 39 ASP C C 13 172.721 0.04 . 1 . . . . . 39 ASP C . 27592 1 171 . 1 . 1 39 39 ASP CA C 13 49.774 0.05 . 1 . . . . . 39 ASP CA . 27592 1 172 . 1 . 1 39 39 ASP CB C 13 39.651 0.04 . 1 . . . . . 39 ASP CB . 27592 1 173 . 1 . 1 39 39 ASP N N 15 121.672 0.00 . 1 . . . . . 39 ASP N . 27592 1 174 . 1 . 1 40 40 PHE H H 1 7.184 0.00 . 1 . . . . . 40 PHE H . 27592 1 175 . 1 . 1 40 40 PHE C C 13 170.624 0.03 . 1 . . . . . 40 PHE C . 27592 1 176 . 1 . 1 40 40 PHE CA C 13 56.038 0.10 . 1 . . . . . 40 PHE CA . 27592 1 177 . 1 . 1 40 40 PHE CB C 13 39.477 0.05 . 1 . . . . . 40 PHE CB . 27592 1 178 . 1 . 1 40 40 PHE N N 15 119.728 0.00 . 1 . . . . . 40 PHE N . 27592 1 179 . 1 . 1 41 41 TRP H H 1 7.375 0.00 . 1 . . . . . 41 TRP H . 27592 1 180 . 1 . 1 41 41 TRP C C 13 171.541 0.02 . 1 . . . . . 41 TRP C . 27592 1 181 . 1 . 1 41 41 TRP CA C 13 56.195 0.14 . 1 . . . . . 41 TRP CA . 27592 1 182 . 1 . 1 41 41 TRP CB C 13 30.989 0.05 . 1 . . . . . 41 TRP CB . 27592 1 183 . 1 . 1 41 41 TRP N N 15 132.108 0.00 . 1 . . . . . 41 TRP N . 27592 1 184 . 1 . 1 42 42 THR H H 1 9.526 0.00 . 1 . . . . . 42 THR H . 27592 1 185 . 1 . 1 42 42 THR C C 13 170.506 0.01 . 1 . . . . . 42 THR C . 27592 1 186 . 1 . 1 42 42 THR CA C 13 59.036 0.08 . 1 . . . . . 42 THR CA . 27592 1 187 . 1 . 1 42 42 THR CB C 13 69.995 0.13 . 1 . . . . . 42 THR CB . 27592 1 188 . 1 . 1 42 42 THR N N 15 115.203 0.00 . 1 . . . . . 42 THR N . 27592 1 189 . 1 . 1 43 43 ALA H H 1 9.352 0.00 . 1 . . . . . 43 ALA H . 27592 1 190 . 1 . 1 43 43 ALA C C 13 172.685 0.02 . 1 . . . . . 43 ALA C . 27592 1 191 . 1 . 1 43 43 ALA CA C 13 47.229 0.11 . 1 . . . . . 43 ALA CA . 27592 1 192 . 1 . 1 43 43 ALA CB C 13 18.497 0.11 . 1 . . . . . 43 ALA CB . 27592 1 193 . 1 . 1 43 43 ALA N N 15 129.638 0.01 . 1 . . . . . 43 ALA N . 27592 1 194 . 1 . 1 44 44 VAL H H 1 7.271 0.00 . 1 . . . . . 44 VAL H . 27592 1 195 . 1 . 1 44 44 VAL C C 13 171.800 0.02 . 1 . . . . . 44 VAL C . 27592 1 196 . 1 . 1 44 44 VAL CA C 13 57.590 0.12 . 1 . . . . . 44 VAL CA . 27592 1 197 . 1 . 1 44 44 VAL CB C 13 31.114 0.09 . 1 . . . . . 44 VAL CB . 27592 1 198 . 1 . 1 44 44 VAL N N 15 121.501 0.00 . 1 . . . . . 44 VAL N . 27592 1 199 . 1 . 1 45 45 ILE H H 1 8.572 0.00 . 1 . . . . . 45 ILE H . 27592 1 200 . 1 . 1 45 45 ILE C C 13 171.312 0.02 . 1 . . . . . 45 ILE C . 27592 1 201 . 1 . 1 45 45 ILE CA C 13 55.651 0.10 . 1 . . . . . 45 ILE CA . 27592 1 202 . 1 . 1 45 45 ILE CB C 13 37.152 0.00 . 1 . . . . . 45 ILE CB . 27592 1 203 . 1 . 1 45 45 ILE N N 15 127.719 0.00 . 1 . . . . . 45 ILE N . 27592 1 204 . 1 . 1 46 46 ALA H H 1 9.319 0.00 . 1 . . . . . 46 ALA H . 27592 1 205 . 1 . 1 46 46 ALA C C 13 174.402 0.02 . 1 . . . . . 46 ALA C . 27592 1 206 . 1 . 1 46 46 ALA CA C 13 48.210 0.03 . 1 . . . . . 46 ALA CA . 27592 1 207 . 1 . 1 46 46 ALA CB C 13 19.434 0.07 . 1 . . . . . 46 ALA CB . 27592 1 208 . 1 . 1 46 46 ALA N N 15 129.501 0.00 . 1 . . . . . 46 ALA N . 27592 1 209 . 1 . 1 47 47 VAL H H 1 9.535 0.01 . 1 . . . . . 47 VAL H . 27592 1 210 . 1 . 1 47 47 VAL C C 13 169.939 0.03 . 1 . . . . . 47 VAL C . 27592 1 211 . 1 . 1 47 47 VAL CA C 13 60.103 0.06 . 1 . . . . . 47 VAL CA . 27592 1 212 . 1 . 1 47 47 VAL CB C 13 30.864 0.00 . 1 . . . . . 47 VAL CB . 27592 1 213 . 1 . 1 47 47 VAL N N 15 127.172 0.00 . 1 . . . . . 47 VAL N . 27592 1 214 . 1 . 1 48 48 GLU H H 1 10.354 0.00 . 1 . . . . . 48 GLU H . 27592 1 215 . 1 . 1 48 48 GLU C C 13 168.225 0.00 . 1 . . . . . 48 GLU C . 27592 1 216 . 1 . 1 48 48 GLU CA C 13 52.009 0.09 . 1 . . . . . 48 GLU CA . 27592 1 217 . 1 . 1 48 48 GLU N N 15 132.548 0.00 . 1 . . . . . 48 GLU N . 27592 1 218 . 1 . 1 49 49 PRO C C 13 173.814 0.01 . 1 . . . . . 49 PRO C . 27592 1 219 . 1 . 1 49 49 PRO CA C 13 60.378 0.05 . 1 . . . . . 49 PRO CA . 27592 1 220 . 1 . 1 49 49 PRO CB C 13 29.832 0.03 . 1 . . . . . 49 PRO CB . 27592 1 221 . 1 . 1 50 50 HIS H H 1 6.941 0.00 . 1 . . . . . 50 HIS H . 27592 1 222 . 1 . 1 50 50 HIS C C 13 171.129 0.01 . 1 . . . . . 50 HIS C . 27592 1 223 . 1 . 1 50 50 HIS CA C 13 54.380 0.07 . 1 . . . . . 50 HIS CA . 27592 1 224 . 1 . 1 50 50 HIS CB C 13 23.539 0.04 . 1 . . . . . 50 HIS CB . 27592 1 225 . 1 . 1 50 50 HIS N N 15 114.925 0.00 . 1 . . . . . 50 HIS N . 27592 1 226 . 1 . 1 51 51 VAL H H 1 8.614 0.00 . 1 . . . . . 51 VAL H . 27592 1 227 . 1 . 1 51 51 VAL C C 13 174.232 0.03 . 1 . . . . . 51 VAL C . 27592 1 228 . 1 . 1 51 51 VAL CA C 13 59.066 0.08 . 1 . . . . . 51 VAL CA . 27592 1 229 . 1 . 1 51 51 VAL CB C 13 32.645 0.13 . 1 . . . . . 51 VAL CB . 27592 1 230 . 1 . 1 51 51 VAL N N 15 122.797 0.00 . 1 . . . . . 51 VAL N . 27592 1 231 . 1 . 1 52 52 ASN H H 1 8.451 0.00 . 1 . . . . . 52 ASN H . 27592 1 232 . 1 . 1 52 52 ASN C C 13 169.086 0.00 . 1 . . . . . 52 ASN C . 27592 1 233 . 1 . 1 52 52 ASN CA C 13 49.396 0.06 . 1 . . . . . 52 ASN CA . 27592 1 234 . 1 . 1 52 52 ASN CB C 13 33.827 0.00 . 1 . . . . . 52 ASN CB . 27592 1 235 . 1 . 1 52 52 ASN N N 15 129.985 0.00 . 1 . . . . . 52 ASN N . 27592 1 236 . 1 . 1 53 53 PRO C C 13 174.031 0.02 . 1 . . . . . 53 PRO C . 27592 1 237 . 1 . 1 53 53 PRO CA C 13 61.441 0.10 . 1 . . . . . 53 PRO CA . 27592 1 238 . 1 . 1 53 53 PRO CB C 13 28.432 0.04 . 1 . . . . . 53 PRO CB . 27592 1 239 . 1 . 1 54 54 VAL H H 1 8.834 0.00 . 1 . . . . . 54 VAL H . 27592 1 240 . 1 . 1 54 54 VAL C C 13 169.221 0.01 . 1 . . . . . 54 VAL C . 27592 1 241 . 1 . 1 54 54 VAL CA C 13 57.576 0.03 . 1 . . . . . 54 VAL CA . 27592 1 242 . 1 . 1 54 54 VAL CB C 13 31.122 0.09 . 1 . . . . . 54 VAL CB . 27592 1 243 . 1 . 1 54 54 VAL N N 15 124.375 0.00 . 1 . . . . . 54 VAL N . 27592 1 244 . 1 . 1 55 55 ASP H H 1 8.062 0.00 . 1 . . . . . 55 ASP H . 27592 1 245 . 1 . 1 55 55 ASP C C 13 173.300 0.02 . 1 . . . . . 55 ASP C . 27592 1 246 . 1 . 1 55 55 ASP CA C 13 51.080 0.10 . 1 . . . . . 55 ASP CA . 27592 1 247 . 1 . 1 55 55 ASP CB C 13 38.539 0.24 . 1 . . . . . 55 ASP CB . 27592 1 248 . 1 . 1 55 55 ASP N N 15 125.266 0.00 . 1 . . . . . 55 ASP N . 27592 1 249 . 1 . 1 56 56 ARG H H 1 8.939 0.00 . 1 . . . . . 56 ARG H . 27592 1 250 . 1 . 1 56 56 ARG C C 13 170.623 0.01 . 1 . . . . . 56 ARG C . 27592 1 251 . 1 . 1 56 56 ARG CA C 13 52.747 0.06 . 1 . . . . . 56 ARG CA . 27592 1 252 . 1 . 1 56 56 ARG CB C 13 32.148 0.11 . 1 . . . . . 56 ARG CB . 27592 1 253 . 1 . 1 56 56 ARG N N 15 125.047 0.00 . 1 . . . . . 56 ARG N . 27592 1 254 . 1 . 1 57 57 GLN H H 1 7.832 0.00 . 1 . . . . . 57 GLN H . 27592 1 255 . 1 . 1 57 57 GLN C C 13 172.164 0.01 . 1 . . . . . 57 GLN C . 27592 1 256 . 1 . 1 57 57 GLN CA C 13 51.522 0.06 . 1 . . . . . 57 GLN CA . 27592 1 257 . 1 . 1 57 57 GLN CB C 13 27.705 0.03 . 1 . . . . . 57 GLN CB . 27592 1 258 . 1 . 1 57 57 GLN N N 15 119.387 0.00 . 1 . . . . . 57 GLN N . 27592 1 259 . 1 . 1 58 58 TYR H H 1 8.792 0.01 . 1 . . . . . 58 TYR H . 27592 1 260 . 1 . 1 58 58 TYR C C 13 170.404 0.02 . 1 . . . . . 58 TYR C . 27592 1 261 . 1 . 1 58 58 TYR CA C 13 53.942 0.07 . 1 . . . . . 58 TYR CA . 27592 1 262 . 1 . 1 58 58 TYR CB C 13 40.006 0.03 . 1 . . . . . 58 TYR CB . 27592 1 263 . 1 . 1 58 58 TYR N N 15 121.360 0.00 . 1 . . . . . 58 TYR N . 27592 1 264 . 1 . 1 59 59 ASN H H 1 8.702 0.00 . 1 . . . . . 59 ASN H . 27592 1 265 . 1 . 1 59 59 ASN C C 13 171.842 0.01 . 1 . . . . . 59 ASN C . 27592 1 266 . 1 . 1 59 59 ASN CA C 13 49.867 0.06 . 1 . . . . . 59 ASN CA . 27592 1 267 . 1 . 1 59 59 ASN CB C 13 36.806 0.06 . 1 . . . . . 59 ASN CB . 27592 1 268 . 1 . 1 59 59 ASN N N 15 123.044 0.01 . 1 . . . . . 59 ASN N . 27592 1 269 . 1 . 1 60 60 VAL H H 1 8.685 0.00 . 1 . . . . . 60 VAL H . 27592 1 270 . 1 . 1 60 60 VAL C C 13 172.392 0.01 . 1 . . . . . 60 VAL C . 27592 1 271 . 1 . 1 60 60 VAL CA C 13 55.476 0.13 . 1 . . . . . 60 VAL CA . 27592 1 272 . 1 . 1 60 60 VAL CB C 13 31.364 0.08 . 1 . . . . . 60 VAL CB . 27592 1 273 . 1 . 1 60 60 VAL N N 15 117.937 0.00 . 1 . . . . . 60 VAL N . 27592 1 274 . 1 . 1 61 61 PHE H H 1 9.383 0.00 . 1 . . . . . 61 PHE H . 27592 1 275 . 1 . 1 61 61 PHE C C 13 173.650 0.01 . 1 . . . . . 61 PHE C . 27592 1 276 . 1 . 1 61 61 PHE CA C 13 55.876 0.14 . 1 . . . . . 61 PHE CA . 27592 1 277 . 1 . 1 61 61 PHE CB C 13 33.346 0.11 . 1 . . . . . 61 PHE CB . 27592 1 278 . 1 . 1 61 61 PHE N N 15 122.813 0.00 . 1 . . . . . 61 PHE N . 27592 1 279 . 1 . 1 62 62 GLY H H 1 8.717 0.00 . 1 . . . . . 62 GLY H . 27592 1 280 . 1 . 1 62 62 GLY C C 13 171.485 0.00 . 1 . . . . . 62 GLY C . 27592 1 281 . 1 . 1 62 62 GLY CA C 13 43.042 0.11 . 1 . . . . . 62 GLY CA . 27592 1 282 . 1 . 1 62 62 GLY N N 15 104.812 0.00 . 1 . . . . . 62 GLY N . 27592 1 283 . 1 . 1 63 63 GLU H H 1 7.998 0.00 . 1 . . . . . 63 GLU H . 27592 1 284 . 1 . 1 63 63 GLU C C 13 171.836 0.02 . 1 . . . . . 63 GLU C . 27592 1 285 . 1 . 1 63 63 GLU CA C 13 51.813 0.17 . 1 . . . . . 63 GLU CA . 27592 1 286 . 1 . 1 63 63 GLU CB C 13 29.947 0.08 . 1 . . . . . 63 GLU CB . 27592 1 287 . 1 . 1 63 63 GLU N N 15 120.844 0.00 . 1 . . . . . 63 GLU N . 27592 1 288 . 1 . 1 64 64 ASN H H 1 8.587 0.00 . 1 . . . . . 64 ASN H . 27592 1 289 . 1 . 1 64 64 ASN C C 13 172.337 0.01 . 1 . . . . . 64 ASN C . 27592 1 290 . 1 . 1 64 64 ASN CA C 13 50.458 0.10 . 1 . . . . . 64 ASN CA . 27592 1 291 . 1 . 1 64 64 ASN CB C 13 35.973 0.09 . 1 . . . . . 64 ASN CB . 27592 1 292 . 1 . 1 64 64 ASN N N 15 120.860 0.00 . 1 . . . . . 64 ASN N . 27592 1 293 . 1 . 1 65 65 LYS H H 1 8.957 0.00 . 1 . . . . . 65 LYS H . 27592 1 294 . 1 . 1 65 65 LYS C C 13 171.244 0.01 . 1 . . . . . 65 LYS C . 27592 1 295 . 1 . 1 65 65 LYS CA C 13 50.188 0.08 . 1 . . . . . 65 LYS CA . 27592 1 296 . 1 . 1 65 65 LYS CB C 13 33.148 0.11 . 1 . . . . . 65 LYS CB . 27592 1 297 . 1 . 1 65 65 LYS N N 15 125.813 0.00 . 1 . . . . . 65 LYS N . 27592 1 298 . 1 . 1 66 66 GLN H H 1 7.984 0.00 . 1 . . . . . 66 GLN H . 27592 1 299 . 1 . 1 66 66 GLN C C 13 172.249 0.02 . 1 . . . . . 66 GLN C . 27592 1 300 . 1 . 1 66 66 GLN CA C 13 51.430 0.03 . 1 . . . . . 66 GLN CA . 27592 1 301 . 1 . 1 66 66 GLN CB C 13 28.464 0.10 . 1 . . . . . 66 GLN CB . 27592 1 302 . 1 . 1 66 66 GLN N N 15 120.047 0.00 . 1 . . . . . 66 GLN N . 27592 1 303 . 1 . 1 67 67 PHE H H 1 8.882 0.00 . 1 . . . . . 67 PHE H . 27592 1 304 . 1 . 1 67 67 PHE C C 13 170.959 0.01 . 1 . . . . . 67 PHE C . 27592 1 305 . 1 . 1 67 67 PHE CA C 13 52.084 0.06 . 1 . . . . . 67 PHE CA . 27592 1 306 . 1 . 1 67 67 PHE CB C 13 39.120 0.11 . 1 . . . . . 67 PHE CB . 27592 1 307 . 1 . 1 67 67 PHE N N 15 122.515 0.00 . 1 . . . . . 67 PHE N . 27592 1 308 . 1 . 1 68 68 ASN H H 1 8.823 0.00 . 1 . . . . . 68 ASN H . 27592 1 309 . 1 . 1 68 68 ASN C C 13 172.158 0.01 . 1 . . . . . 68 ASN C . 27592 1 310 . 1 . 1 68 68 ASN CA C 13 51.526 0.07 . 1 . . . . . 68 ASN CA . 27592 1 311 . 1 . 1 68 68 ASN CB C 13 37.814 0.08 . 1 . . . . . 68 ASN CB . 27592 1 312 . 1 . 1 68 68 ASN N N 15 123.750 0.00 . 1 . . . . . 68 ASN N . 27592 1 313 . 1 . 1 69 69 VAL H H 1 9.066 0.00 . 1 . . . . . 69 VAL H . 27592 1 314 . 1 . 1 69 69 VAL C C 13 169.971 0.01 . 1 . . . . . 69 VAL C . 27592 1 315 . 1 . 1 69 69 VAL CA C 13 56.247 0.09 . 1 . . . . . 69 VAL CA . 27592 1 316 . 1 . 1 69 69 VAL CB C 13 33.164 0.07 . 1 . . . . . 69 VAL CB . 27592 1 317 . 1 . 1 69 69 VAL N N 15 119.952 0.00 . 1 . . . . . 69 VAL N . 27592 1 318 . 1 . 1 70 70 ARG H H 1 7.169 0.00 . 1 . . . . . 70 ARG H . 27592 1 319 . 1 . 1 70 70 ARG C C 13 171.316 0.03 . 1 . . . . . 70 ARG C . 27592 1 320 . 1 . 1 70 70 ARG CA C 13 51.784 0.09 . 1 . . . . . 70 ARG CA . 27592 1 321 . 1 . 1 70 70 ARG CB C 13 30.222 0.10 . 1 . . . . . 70 ARG CB . 27592 1 322 . 1 . 1 70 70 ARG N N 15 111.922 0.00 . 1 . . . . . 70 ARG N . 27592 1 323 . 1 . 1 71 71 ASN H H 1 9.245 0.00 . 1 . . . . . 71 ASN H . 27592 1 324 . 1 . 1 71 71 ASN C C 13 173.802 0.00 . 1 . . . . . 71 ASN C . 27592 1 325 . 1 . 1 71 71 ASN CA C 13 50.490 0.13 . 1 . . . . . 71 ASN CA . 27592 1 326 . 1 . 1 71 71 ASN CB C 13 36.027 0.23 . 1 . . . . . 71 ASN CB . 27592 1 327 . 1 . 1 71 71 ASN N N 15 116.656 0.00 . 1 . . . . . 71 ASN N . 27592 1 328 . 1 . 1 72 72 ASP H H 1 6.770 0.00 . 1 . . . . . 72 ASP H . 27592 1 329 . 1 . 1 72 72 ASP C C 13 172.630 0.02 . 1 . . . . . 72 ASP C . 27592 1 330 . 1 . 1 72 72 ASP CA C 13 50.719 0.05 . 1 . . . . . 72 ASP CA . 27592 1 331 . 1 . 1 72 72 ASP CB C 13 37.539 0.00 . 1 . . . . . 72 ASP CB . 27592 1 332 . 1 . 1 72 72 ASP N N 15 112.250 0.00 . 1 . . . . . 72 ASP N . 27592 1 333 . 1 . 1 73 73 SER H H 1 8.043 0.00 . 1 . . . . . 73 SER H . 27592 1 334 . 1 . 1 73 73 SER C C 13 168.828 0.03 . 1 . . . . . 73 SER C . 27592 1 335 . 1 . 1 73 73 SER CA C 13 54.659 0.07 . 1 . . . . . 73 SER CA . 27592 1 336 . 1 . 1 73 73 SER CB C 13 63.674 0.08 . 1 . . . . . 73 SER CB . 27592 1 337 . 1 . 1 73 73 SER N N 15 117.172 0.00 . 1 . . . . . 73 SER N . 27592 1 338 . 1 . 1 74 74 ASP H H 1 7.933 0.00 . 1 . . . . . 74 ASP H . 27592 1 339 . 1 . 1 74 74 ASP C C 13 173.377 0.01 . 1 . . . . . 74 ASP C . 27592 1 340 . 1 . 1 74 74 ASP CA C 13 51.530 0.05 . 1 . . . . . 74 ASP CA . 27592 1 341 . 1 . 1 74 74 ASP CB C 13 38.846 0.13 . 1 . . . . . 74 ASP CB . 27592 1 342 . 1 . 1 74 74 ASP N N 15 115.140 0.00 . 1 . . . . . 74 ASP N . 27592 1 343 . 1 . 1 75 75 LYS H H 1 8.513 0.00 . 1 . . . . . 75 LYS H . 27592 1 344 . 1 . 1 75 75 LYS C C 13 172.931 0.05 . 1 . . . . . 75 LYS C . 27592 1 345 . 1 . 1 75 75 LYS CA C 13 52.470 0.07 . 1 . . . . . 75 LYS CA . 27592 1 346 . 1 . 1 75 75 LYS CB C 13 32.652 0.00 . 1 . . . . . 75 LYS CB . 27592 1 347 . 1 . 1 75 75 LYS N N 15 121.063 0.00 . 1 . . . . . 75 LYS N . 27592 1 348 . 1 . 1 76 76 TRP H H 1 7.738 0.01 . 1 . . . . . 76 TRP H . 27592 1 349 . 1 . 1 76 76 TRP C C 13 172.244 0.00 . 1 . . . . . 76 TRP C . 27592 1 350 . 1 . 1 76 76 TRP CA C 13 57.131 0.15 . 1 . . . . . 76 TRP CA . 27592 1 351 . 1 . 1 76 76 TRP N N 15 119.430 0.00 . 1 . . . . . 76 TRP N . 27592 1 352 . 1 . 1 77 77 LYS H H 1 8.298 0.00 . 1 . . . . . 77 LYS H . 27592 1 353 . 1 . 1 77 77 LYS C C 13 171.283 0.02 . 1 . . . . . 77 LYS C . 27592 1 354 . 1 . 1 77 77 LYS CA C 13 52.563 0.05 . 1 . . . . . 77 LYS CA . 27592 1 355 . 1 . 1 77 77 LYS CB C 13 33.808 0.22 . 1 . . . . . 77 LYS CB . 27592 1 356 . 1 . 1 77 77 LYS N N 15 119.328 0.00 . 1 . . . . . 77 LYS N . 27592 1 357 . 1 . 1 78 78 PHE H H 1 9.441 0.01 . 1 . . . . . 78 PHE H . 27592 1 358 . 1 . 1 78 78 PHE C C 13 172.918 0.01 . 1 . . . . . 78 PHE C . 27592 1 359 . 1 . 1 78 78 PHE CA C 13 53.897 0.13 . 1 . . . . . 78 PHE CA . 27592 1 360 . 1 . 1 78 78 PHE CB C 13 36.540 0.04 . 1 . . . . . 78 PHE CB . 27592 1 361 . 1 . 1 78 78 PHE N N 15 121.141 0.00 . 1 . . . . . 78 PHE N . 27592 1 362 . 1 . 1 79 79 LEU H H 1 9.538 0.00 . 1 . . . . . 79 LEU H . 27592 1 363 . 1 . 1 79 79 LEU C C 13 173.075 0.01 . 1 . . . . . 79 LEU C . 27592 1 364 . 1 . 1 79 79 LEU CA C 13 52.158 0.10 . 1 . . . . . 79 LEU CA . 27592 1 365 . 1 . 1 79 79 LEU CB C 13 39.939 0.00 . 1 . . . . . 79 LEU CB . 27592 1 366 . 1 . 1 79 79 LEU N N 15 127.766 0.00 . 1 . . . . . 79 LEU N . 27592 1 367 . 1 . 1 80 80 GLU H H 1 8.723 0.01 . 1 . . . . . 80 GLU H . 27592 1 368 . 1 . 1 80 80 GLU C C 13 172.923 0.01 . 1 . . . . . 80 GLU C . 27592 1 369 . 1 . 1 80 80 GLU CA C 13 54.055 0.05 . 1 . . . . . 80 GLU CA . 27592 1 370 . 1 . 1 80 80 GLU CB C 13 27.576 0.07 . 1 . . . . . 80 GLU CB . 27592 1 371 . 1 . 1 80 80 GLU N N 15 123.157 0.00 . 1 . . . . . 80 GLU N . 27592 1 372 . 1 . 1 81 81 MET H H 1 9.053 0.00 . 1 . . . . . 81 MET H . 27592 1 373 . 1 . 1 81 81 MET C C 13 171.793 0.01 . 1 . . . . . 81 MET C . 27592 1 374 . 1 . 1 81 81 MET CA C 13 49.575 0.06 . 1 . . . . . 81 MET CA . 27592 1 375 . 1 . 1 81 81 MET CB C 13 26.827 0.04 . 1 . . . . . 81 MET CB . 27592 1 376 . 1 . 1 81 81 MET N N 15 126.750 0.00 . 1 . . . . . 81 MET N . 27592 1 377 . 1 . 1 82 82 PHE H H 1 9.203 0.00 . 1 . . . . . 82 PHE H . 27592 1 378 . 1 . 1 82 82 PHE C C 13 171.980 0.05 . 1 . . . . . 82 PHE C . 27592 1 379 . 1 . 1 82 82 PHE CA C 13 53.400 0.06 . 1 . . . . . 82 PHE CA . 27592 1 380 . 1 . 1 82 82 PHE CB C 13 42.365 0.00 . 1 . . . . . 82 PHE CB . 27592 1 381 . 1 . 1 82 82 PHE N N 15 125.063 0.00 . 1 . . . . . 82 PHE N . 27592 1 382 . 1 . 1 83 83 ARG H H 1 7.339 0.00 . 1 . . . . . 83 ARG H . 27592 1 383 . 1 . 1 83 83 ARG C C 13 170.430 0.01 . 1 . . . . . 83 ARG C . 27592 1 384 . 1 . 1 83 83 ARG CA C 13 52.680 0.12 . 1 . . . . . 83 ARG CA . 27592 1 385 . 1 . 1 83 83 ARG CB C 13 30.501 0.12 . 1 . . . . . 83 ARG CB . 27592 1 386 . 1 . 1 83 83 ARG N N 15 119.938 0.00 . 1 . . . . . 83 ARG N . 27592 1 387 . 1 . 1 84 84 GLY H H 1 8.652 0.00 . 1 . . . . . 84 GLY H . 27592 1 388 . 1 . 1 84 84 GLY C C 13 170.430 0.01 . 1 . . . . . 84 GLY C . 27592 1 389 . 1 . 1 84 84 GLY CA C 13 40.979 0.13 . 1 . . . . . 84 GLY CA . 27592 1 390 . 1 . 1 84 84 GLY N N 15 105.796 0.00 . 1 . . . . . 84 GLY N . 27592 1 391 . 1 . 1 85 85 SER H H 1 6.858 0.01 . 1 . . . . . 85 SER H . 27592 1 392 . 1 . 1 85 85 SER C C 13 171.421 0.03 . 1 . . . . . 85 SER C . 27592 1 393 . 1 . 1 85 85 SER CA C 13 53.803 0.09 . 1 . . . . . 85 SER CA . 27592 1 394 . 1 . 1 85 85 SER CB C 13 62.459 0.06 . 1 . . . . . 85 SER CB . 27592 1 395 . 1 . 1 85 85 SER N N 15 111.078 0.00 . 1 . . . . . 85 SER N . 27592 1 396 . 1 . 1 86 86 SER H H 1 8.481 0.00 . 1 . . . . . 86 SER H . 27592 1 397 . 1 . 1 86 86 SER C C 13 171.418 0.00 . 1 . . . . . 86 SER C . 27592 1 398 . 1 . 1 86 86 SER CA C 13 57.603 0.06 . 1 . . . . . 86 SER CA . 27592 1 399 . 1 . 1 86 86 SER CB C 13 59.491 0.08 . 1 . . . . . 86 SER CB . 27592 1 400 . 1 . 1 86 86 SER N N 15 118.641 0.00 . 1 . . . . . 86 SER N . 27592 1 401 . 1 . 1 87 87 GLN H H 1 7.613 0.00 . 1 . . . . . 87 GLN H . 27592 1 402 . 1 . 1 87 87 GLN C C 13 172.855 0.01 . 1 . . . . . 87 GLN C . 27592 1 403 . 1 . 1 87 87 GLN CA C 13 52.530 0.04 . 1 . . . . . 87 GLN CA . 27592 1 404 . 1 . 1 87 87 GLN CB C 13 26.282 0.07 . 1 . . . . . 87 GLN CB . 27592 1 405 . 1 . 1 87 87 GLN N N 15 116.658 0.00 . 1 . . . . . 87 GLN N . 27592 1 406 . 1 . 1 88 88 ASN H H 1 6.721 0.00 . 1 . . . . . 88 ASN H . 27592 1 407 . 1 . 1 88 88 ASN C C 13 171.555 0.02 . 1 . . . . . 88 ASN C . 27592 1 408 . 1 . 1 88 88 ASN CA C 13 49.071 0.05 . 1 . . . . . 88 ASN CA . 27592 1 409 . 1 . 1 88 88 ASN CB C 13 37.518 0.11 . 1 . . . . . 88 ASN CB . 27592 1 410 . 1 . 1 88 88 ASN N N 15 118.798 0.00 . 1 . . . . . 88 ASN N . 27592 1 411 . 1 . 1 89 89 ASP H H 1 8.402 0.00 . 1 . . . . . 89 ASP H . 27592 1 412 . 1 . 1 89 89 ASP C C 13 173.798 0.01 . 1 . . . . . 89 ASP C . 27592 1 413 . 1 . 1 89 89 ASP CA C 13 51.259 0.08 . 1 . . . . . 89 ASP CA . 27592 1 414 . 1 . 1 89 89 ASP CB C 13 38.696 0.07 . 1 . . . . . 89 ASP CB . 27592 1 415 . 1 . 1 89 89 ASP N N 15 119.422 0.00 . 1 . . . . . 89 ASP N . 27592 1 416 . 1 . 1 90 90 PHE H H 1 8.603 0.00 . 1 . . . . . 90 PHE H . 27592 1 417 . 1 . 1 90 90 PHE C C 13 174.171 0.04 . 1 . . . . . 90 PHE C . 27592 1 418 . 1 . 1 90 90 PHE CA C 13 56.460 0.06 . 1 . . . . . 90 PHE CA . 27592 1 419 . 1 . 1 90 90 PHE CB C 13 39.046 0.09 . 1 . . . . . 90 PHE CB . 27592 1 420 . 1 . 1 90 90 PHE N N 15 117.687 0.00 . 1 . . . . . 90 PHE N . 27592 1 421 . 1 . 1 91 91 TYR H H 1 9.069 0.00 . 1 . . . . . 91 TYR H . 27592 1 422 . 1 . 1 91 91 TYR C C 13 171.295 0.00 . 1 . . . . . 91 TYR C . 27592 1 423 . 1 . 1 91 91 TYR CA C 13 52.759 0.08 . 1 . . . . . 91 TYR CA . 27592 1 424 . 1 . 1 91 91 TYR CB C 13 39.002 0.00 . 1 . . . . . 91 TYR CB . 27592 1 425 . 1 . 1 91 91 TYR N N 15 117.469 0.00 . 1 . . . . . 91 TYR N . 27592 1 426 . 1 . 1 92 92 ASN C C 13 170.351 0.00 . 1 . . . . . 92 ASN C . 27592 1 427 . 1 . 1 92 92 ASN CA C 13 49.494 0.10 . 1 . . . . . 92 ASN CA . 27592 1 428 . 1 . 1 92 92 ASN CB C 13 35.464 0.00 . 1 . . . . . 92 ASN CB . 27592 1 429 . 1 . 1 93 93 ARG H H 1 8.381 0.00 . 1 . . . . . 93 ARG H . 27592 1 430 . 1 . 1 93 93 ARG C C 13 172.748 0.01 . 1 . . . . . 93 ARG C . 27592 1 431 . 1 . 1 93 93 ARG CA C 13 55.795 0.04 . 1 . . . . . 93 ARG CA . 27592 1 432 . 1 . 1 93 93 ARG CB C 13 30.730 0.06 . 1 . . . . . 93 ARG CB . 27592 1 433 . 1 . 1 93 93 ARG N N 15 132.220 0.00 . 1 . . . . . 93 ARG N . 27592 1 434 . 1 . 1 94 94 ARG H H 1 7.324 0.00 . 1 . . . . . 94 ARG H . 27592 1 435 . 1 . 1 94 94 ARG C C 13 172.273 0.01 . 1 . . . . . 94 ARG C . 27592 1 436 . 1 . 1 94 94 ARG CA C 13 52.430 0.06 . 1 . . . . . 94 ARG CA . 27592 1 437 . 1 . 1 94 94 ARG CB C 13 33.020 0.16 . 1 . . . . . 94 ARG CB . 27592 1 438 . 1 . 1 94 94 ARG N N 15 112.453 0.00 . 1 . . . . . 94 ARG N . 27592 1 439 . 1 . 1 95 95 THR H H 1 9.142 0.00 . 1 . . . . . 95 THR H . 27592 1 440 . 1 . 1 95 95 THR C C 13 169.695 0.01 . 1 . . . . . 95 THR C . 27592 1 441 . 1 . 1 95 95 THR CA C 13 59.880 0.08 . 1 . . . . . 95 THR CA . 27592 1 442 . 1 . 1 95 95 THR CB C 13 69.842 0.14 . 1 . . . . . 95 THR CB . 27592 1 443 . 1 . 1 95 95 THR N N 15 117.455 0.01 . 1 . . . . . 95 THR N . 27592 1 444 . 1 . 1 96 96 LEU H H 1 8.945 0.01 . 1 . . . . . 96 LEU H . 27592 1 445 . 1 . 1 96 96 LEU C C 13 171.810 0.03 . 1 . . . . . 96 LEU C . 27592 1 446 . 1 . 1 96 96 LEU CA C 13 50.868 0.05 . 1 . . . . . 96 LEU CA . 27592 1 447 . 1 . 1 96 96 LEU CB C 13 36.639 0.00 . 1 . . . . . 96 LEU CB . 27592 1 448 . 1 . 1 96 96 LEU N N 15 130.532 0.00 . 1 . . . . . 96 LEU N . 27592 1 449 . 1 . 1 97 97 THR H H 1 9.535 0.00 . 1 . . . . . 97 THR H . 27592 1 450 . 1 . 1 97 97 THR C C 13 171.647 0.02 . 1 . . . . . 97 THR C . 27592 1 451 . 1 . 1 97 97 THR CA C 13 59.801 0.12 . 1 . . . . . 97 THR CA . 27592 1 452 . 1 . 1 97 97 THR CB C 13 66.291 0.21 . 1 . . . . . 97 THR CB . 27592 1 453 . 1 . 1 97 97 THR N N 15 128.110 0.00 . 1 . . . . . 97 THR N . 27592 1 454 . 1 . 1 98 98 SER H H 1 9.675 0.00 . 1 . . . . . 98 SER H . 27592 1 455 . 1 . 1 98 98 SER C C 13 172.127 0.00 . 1 . . . . . 98 SER C . 27592 1 456 . 1 . 1 98 98 SER CA C 13 53.375 0.09 . 1 . . . . . 98 SER CA . 27592 1 457 . 1 . 1 98 98 SER CB C 13 63.449 0.04 . 1 . . . . . 98 SER CB . 27592 1 458 . 1 . 1 98 98 SER N N 15 119.813 0.00 . 1 . . . . . 98 SER N . 27592 1 459 . 1 . 1 99 99 ASP H H 1 8.569 0.01 . 1 . . . . . 99 ASP H . 27592 1 460 . 1 . 1 99 99 ASP C C 13 173.620 0.02 . 1 . . . . . 99 ASP C . 27592 1 461 . 1 . 1 99 99 ASP CA C 13 50.840 0.04 . 1 . . . . . 99 ASP CA . 27592 1 462 . 1 . 1 99 99 ASP CB C 13 39.108 0.19 . 1 . . . . . 99 ASP CB . 27592 1 463 . 1 . 1 99 99 ASP N N 15 124.713 0.01 . 1 . . . . . 99 ASP N . 27592 1 464 . 1 . 1 100 100 THR H H 1 8.571 0.00 . 1 . . . . . 100 THR H . 27592 1 465 . 1 . 1 100 100 THR C C 13 172.189 0.02 . 1 . . . . . 100 THR C . 27592 1 466 . 1 . 1 100 100 THR CA C 13 59.209 0.19 . 1 . . . . . 100 THR CA . 27592 1 467 . 1 . 1 100 100 THR CB C 13 67.322 0.02 . 1 . . . . . 100 THR CB . 27592 1 468 . 1 . 1 100 100 THR N N 15 112.593 0.00 . 1 . . . . . 100 THR N . 27592 1 469 . 1 . 1 101 101 ARG H H 1 7.950 0.00 . 1 . . . . . 101 ARG H . 27592 1 470 . 1 . 1 101 101 ARG C C 13 168.680 0.01 . 1 . . . . . 101 ARG C . 27592 1 471 . 1 . 1 101 101 ARG CA C 13 55.992 0.08 . 1 . . . . . 101 ARG CA . 27592 1 472 . 1 . 1 101 101 ARG N N 15 111.250 0.00 . 1 . . . . . 101 ARG N . 27592 1 473 . 1 . 1 102 102 LEU H H 1 6.662 0.00 . 1 . . . . . 102 LEU H . 27592 1 474 . 1 . 1 102 102 LEU C C 13 172.847 0.02 . 1 . . . . . 102 LEU C . 27592 1 475 . 1 . 1 102 102 LEU CA C 13 50.155 0.05 . 1 . . . . . 102 LEU CA . 27592 1 476 . 1 . 1 102 102 LEU CB C 13 42.071 0.16 . 1 . . . . . 102 LEU CB . 27592 1 477 . 1 . 1 102 102 LEU N N 15 115.853 0.00 . 1 . . . . . 102 LEU N . 27592 1 478 . 1 . 1 103 103 VAL H H 1 8.116 0.00 . 1 . . . . . 103 VAL H . 27592 1 479 . 1 . 1 103 103 VAL C C 13 171.992 0.00 . 1 . . . . . 103 VAL C . 27592 1 480 . 1 . 1 103 103 VAL CA C 13 57.230 0.10 . 1 . . . . . 103 VAL CA . 27592 1 481 . 1 . 1 103 103 VAL CB C 13 32.173 0.04 . 1 . . . . . 103 VAL CB . 27592 1 482 . 1 . 1 103 103 VAL N N 15 116.403 0.00 . 1 . . . . . 103 VAL N . 27592 1 483 . 1 . 1 104 104 GLY H H 1 7.937 0.00 . 1 . . . . . 104 GLY H . 27592 1 484 . 1 . 1 104 104 GLY C C 13 170.261 0.03 . 1 . . . . . 104 GLY C . 27592 1 485 . 1 . 1 104 104 GLY CA C 13 42.384 0.05 . 1 . . . . . 104 GLY CA . 27592 1 486 . 1 . 1 104 104 GLY N N 15 109.016 0.00 . 1 . . . . . 104 GLY N . 27592 1 487 . 1 . 1 105 105 ILE H H 1 9.073 0.01 . 1 . . . . . 105 ILE H . 27592 1 488 . 1 . 1 105 105 ILE C C 13 169.435 0.01 . 1 . . . . . 105 ILE C . 27592 1 489 . 1 . 1 105 105 ILE CA C 13 58.320 0.06 . 1 . . . . . 105 ILE CA . 27592 1 490 . 1 . 1 105 105 ILE N N 15 121.766 0.00 . 1 . . . . . 105 ILE N . 27592 1 491 . 1 . 1 106 106 LEU H H 1 8.528 0.00 . 1 . . . . . 106 LEU H . 27592 1 492 . 1 . 1 106 106 LEU C C 13 172.200 0.00 . 1 . . . . . 106 LEU C . 27592 1 493 . 1 . 1 106 106 LEU CA C 13 50.778 0.05 . 1 . . . . . 106 LEU CA . 27592 1 494 . 1 . 1 106 106 LEU N N 15 129.376 0.00 . 1 . . . . . 106 LEU N . 27592 1 495 . 1 . 1 107 107 LYS H H 1 8.647 0.01 . 1 . . . . . 107 LYS H . 27592 1 496 . 1 . 1 107 107 LYS C C 13 171.783 0.01 . 1 . . . . . 107 LYS C . 27592 1 497 . 1 . 1 107 107 LYS CA C 13 52.190 0.12 . 1 . . . . . 107 LYS CA . 27592 1 498 . 1 . 1 107 107 LYS CB C 13 31.133 0.03 . 1 . . . . . 107 LYS CB . 27592 1 499 . 1 . 1 107 107 LYS N N 15 125.516 0.00 . 1 . . . . . 107 LYS N . 27592 1 500 . 1 . 1 108 108 TYR H H 1 9.065 0.00 . 1 . . . . . 108 TYR H . 27592 1 501 . 1 . 1 108 108 TYR C C 13 173.509 0.00 . 1 . . . . . 108 TYR C . 27592 1 502 . 1 . 1 108 108 TYR CA C 13 55.859 0.04 . 1 . . . . . 108 TYR CA . 27592 1 503 . 1 . 1 108 108 TYR CB C 13 38.752 0.00 . 1 . . . . . 108 TYR CB . 27592 1 504 . 1 . 1 108 108 TYR N N 15 123.125 0.00 . 1 . . . . . 108 TYR N . 27592 1 505 . 1 . 1 110 110 GLY C C 13 170.129 0.00 . 1 . . . . . 110 GLY C . 27592 1 506 . 1 . 1 110 110 GLY CA C 13 42.786 0.02 . 1 . . . . . 110 GLY CA . 27592 1 507 . 1 . 1 111 111 ARG H H 1 7.543 0.00 . 1 . . . . . 111 ARG H . 27592 1 508 . 1 . 1 111 111 ARG C C 13 170.473 0.02 . 1 . . . . . 111 ARG C . 27592 1 509 . 1 . 1 111 111 ARG CA C 13 51.551 0.08 . 1 . . . . . 111 ARG CA . 27592 1 510 . 1 . 1 111 111 ARG CB C 13 32.789 0.12 . 1 . . . . . 111 ARG CB . 27592 1 511 . 1 . 1 111 111 ARG N N 15 118.531 0.00 . 1 . . . . . 111 ARG N . 27592 1 512 . 1 . 1 112 112 ILE H H 1 7.733 0.00 . 1 . . . . . 112 ILE H . 27592 1 513 . 1 . 1 112 112 ILE C C 13 173.011 0.01 . 1 . . . . . 112 ILE C . 27592 1 514 . 1 . 1 112 112 ILE CA C 13 54.210 0.05 . 1 . . . . . 112 ILE CA . 27592 1 515 . 1 . 1 112 112 ILE CB C 13 35.402 0.05 . 1 . . . . . 112 ILE CB . 27592 1 516 . 1 . 1 112 112 ILE N N 15 118.851 0.00 . 1 . . . . . 112 ILE N . 27592 1 517 . 1 . 1 113 113 TRP H H 1 9.778 0.01 . 1 . . . . . 113 TRP H . 27592 1 518 . 1 . 1 113 113 TRP C C 13 171.998 0.01 . 1 . . . . . 113 TRP C . 27592 1 519 . 1 . 1 113 113 TRP CA C 13 52.155 0.10 . 1 . . . . . 113 TRP CA . 27592 1 520 . 1 . 1 113 113 TRP CB C 13 27.483 0.06 . 1 . . . . . 113 TRP CB . 27592 1 521 . 1 . 1 113 113 TRP N N 15 129.954 0.00 . 1 . . . . . 113 TRP N . 27592 1 522 . 1 . 1 114 114 THR H H 1 8.385 0.00 . 1 . . . . . 114 THR H . 27592 1 523 . 1 . 1 114 114 THR C C 13 170.829 0.00 . 1 . . . . . 114 THR C . 27592 1 524 . 1 . 1 114 114 THR CA C 13 56.330 0.10 . 1 . . . . . 114 THR CA . 27592 1 525 . 1 . 1 114 114 THR CB C 13 70.058 0.09 . 1 . . . . . 114 THR CB . 27592 1 526 . 1 . 1 114 114 THR N N 15 111.114 0.00 . 1 . . . . . 114 THR N . 27592 1 527 . 1 . 1 115 115 PHE H H 1 8.463 0.00 . 1 . . . . . 115 PHE H . 27592 1 528 . 1 . 1 115 115 PHE C C 13 173.492 0.01 . 1 . . . . . 115 PHE C . 27592 1 529 . 1 . 1 115 115 PHE CA C 13 54.800 0.07 . 1 . . . . . 115 PHE CA . 27592 1 530 . 1 . 1 115 115 PHE CB C 13 39.645 0.14 . 1 . . . . . 115 PHE CB . 27592 1 531 . 1 . 1 115 115 PHE N N 15 116.219 0.00 . 1 . . . . . 115 PHE N . 27592 1 532 . 1 . 1 116 116 HIS H H 1 9.866 0.00 . 1 . . . . . 116 HIS H . 27592 1 533 . 1 . 1 116 116 HIS C C 13 169.900 0.00 . 1 . . . . . 116 HIS C . 27592 1 534 . 1 . 1 116 116 HIS CA C 13 52.238 0.12 . 1 . . . . . 116 HIS CA . 27592 1 535 . 1 . 1 116 116 HIS CB C 13 32.221 0.08 . 1 . . . . . 116 HIS CB . 27592 1 536 . 1 . 1 116 116 HIS N N 15 118.734 0.00 . 1 . . . . . 116 HIS N . 27592 1 537 . 1 . 1 117 117 GLY H H 1 8.483 0.01 . 1 . . . . . 117 GLY H . 27592 1 538 . 1 . 1 117 117 GLY C C 13 170.240 0.00 . 1 . . . . . 117 GLY C . 27592 1 539 . 1 . 1 117 117 GLY CA C 13 41.083 0.09 . 1 . . . . . 117 GLY CA . 27592 1 540 . 1 . 1 117 117 GLY N N 15 106.265 0.00 . 1 . . . . . 117 GLY N . 27592 1 541 . 1 . 1 118 118 GLU H H 1 8.646 0.00 . 1 . . . . . 118 GLU H . 27592 1 542 . 1 . 1 118 118 GLU C C 13 174.384 0.02 . 1 . . . . . 118 GLU C . 27592 1 543 . 1 . 1 118 118 GLU CA C 13 50.993 0.10 . 1 . . . . . 118 GLU CA . 27592 1 544 . 1 . 1 118 118 GLU CB C 13 28.822 0.09 . 1 . . . . . 118 GLU CB . 27592 1 545 . 1 . 1 118 118 GLU N N 15 123.610 0.00 . 1 . . . . . 118 GLU N . 27592 1 546 . 1 . 1 119 119 THR H H 1 8.845 0.00 . 1 . . . . . 119 THR H . 27592 1 547 . 1 . 1 119 119 THR C C 13 169.783 0.00 . 1 . . . . . 119 THR C . 27592 1 548 . 1 . 1 119 119 THR CA C 13 58.909 0.01 . 1 . . . . . 119 THR CA . 27592 1 549 . 1 . 1 119 119 THR CB C 13 65.516 0.00 . 1 . . . . . 119 THR CB . 27592 1 550 . 1 . 1 119 119 THR N N 15 119.501 0.00 . 1 . . . . . 119 THR N . 27592 1 551 . 1 . 1 120 120 PRO C C 13 172.091 0.01 . 1 . . . . . 120 PRO C . 27592 1 552 . 1 . 1 120 120 PRO CA C 13 61.253 0.04 . 1 . . . . . 120 PRO CA . 27592 1 553 . 1 . 1 120 120 PRO CB C 13 28.614 0.00 . 1 . . . . . 120 PRO CB . 27592 1 554 . 1 . 1 121 121 ARG H H 1 8.897 0.00 . 1 . . . . . 121 ARG H . 27592 1 555 . 1 . 1 121 121 ARG C C 13 173.486 0.01 . 1 . . . . . 121 ARG C . 27592 1 556 . 1 . 1 121 121 ARG CA C 13 51.800 0.13 . 1 . . . . . 121 ARG CA . 27592 1 557 . 1 . 1 121 121 ARG CB C 13 27.058 0.02 . 1 . . . . . 121 ARG CB . 27592 1 558 . 1 . 1 121 121 ARG N N 15 124.110 0.00 . 1 . . . . . 121 ARG N . 27592 1 559 . 1 . 1 122 122 ALA H H 1 9.312 0.00 . 1 . . . . . 122 ALA H . 27592 1 560 . 1 . 1 122 122 ALA C C 13 175.653 0.01 . 1 . . . . . 122 ALA C . 27592 1 561 . 1 . 1 122 122 ALA CA C 13 50.815 0.06 . 1 . . . . . 122 ALA CA . 27592 1 562 . 1 . 1 122 122 ALA CB C 13 16.380 0.02 . 1 . . . . . 122 ALA CB . 27592 1 563 . 1 . 1 122 122 ALA N N 15 127.344 0.00 . 1 . . . . . 122 ALA N . 27592 1 564 . 1 . 1 123 123 THR H H 1 8.628 0.00 . 1 . . . . . 123 THR H . 27592 1 565 . 1 . 1 123 123 THR C C 13 170.982 0.03 . 1 . . . . . 123 THR C . 27592 1 566 . 1 . 1 123 123 THR CA C 13 57.090 0.12 . 1 . . . . . 123 THR CA . 27592 1 567 . 1 . 1 123 123 THR CB C 13 69.323 0.06 . 1 . . . . . 123 THR CB . 27592 1 568 . 1 . 1 123 123 THR N N 15 112.781 0.00 . 1 . . . . . 123 THR N . 27592 1 569 . 1 . 1 124 124 THR H H 1 8.082 0.00 . 1 . . . . . 124 THR H . 27592 1 570 . 1 . 1 124 124 THR C C 13 172.699 0.01 . 1 . . . . . 124 THR C . 27592 1 571 . 1 . 1 124 124 THR CA C 13 57.576 0.07 . 1 . . . . . 124 THR CA . 27592 1 572 . 1 . 1 124 124 THR CB C 13 69.525 0.07 . 1 . . . . . 124 THR CB . 27592 1 573 . 1 . 1 124 124 THR N N 15 109.875 0.00 . 1 . . . . . 124 THR N . 27592 1 574 . 1 . 1 125 125 ASP H H 1 9.031 0.00 . 1 . . . . . 125 ASP H . 27592 1 575 . 1 . 1 125 125 ASP C C 13 171.625 0.02 . 1 . . . . . 125 ASP C . 27592 1 576 . 1 . 1 125 125 ASP CA C 13 50.263 0.07 . 1 . . . . . 125 ASP CA . 27592 1 577 . 1 . 1 125 125 ASP CB C 13 42.348 0.17 . 1 . . . . . 125 ASP CB . 27592 1 578 . 1 . 1 125 125 ASP N N 15 118.625 0.00 . 1 . . . . . 125 ASP N . 27592 1 579 . 1 . 1 126 126 SER H H 1 7.563 0.00 . 1 . . . . . 126 SER H . 27592 1 580 . 1 . 1 126 126 SER C C 13 170.793 0.03 . 1 . . . . . 126 SER C . 27592 1 581 . 1 . 1 126 126 SER CA C 13 53.363 0.09 . 1 . . . . . 126 SER CA . 27592 1 582 . 1 . 1 126 126 SER CB C 13 63.007 0.07 . 1 . . . . . 126 SER CB . 27592 1 583 . 1 . 1 126 126 SER N N 15 114.937 0.00 . 1 . . . . . 126 SER N . 27592 1 584 . 1 . 1 127 127 SER H H 1 8.667 0.00 . 1 . . . . . 127 SER H . 27592 1 585 . 1 . 1 127 127 SER C C 13 169.560 0.00 . 1 . . . . . 127 SER C . 27592 1 586 . 1 . 1 127 127 SER CA C 13 54.722 0.11 . 1 . . . . . 127 SER CA . 27592 1 587 . 1 . 1 127 127 SER N N 15 114.922 0.00 . 1 . . . . . 127 SER N . 27592 1 588 . 1 . 1 128 128 ASN H H 1 8.667 0.00 . 1 . . . . . 128 ASN H . 27592 1 589 . 1 . 1 128 128 ASN C C 13 171.687 0.01 . 1 . . . . . 128 ASN C . 27592 1 590 . 1 . 1 128 128 ASN CA C 13 50.103 0.07 . 1 . . . . . 128 ASN CA . 27592 1 591 . 1 . 1 128 128 ASN CB C 13 37.046 0.01 . 1 . . . . . 128 ASN CB . 27592 1 592 . 1 . 1 128 128 ASN N N 15 114.922 0.00 . 1 . . . . . 128 ASN N . 27592 1 593 . 1 . 1 129 129 THR H H 1 7.953 0.00 . 1 . . . . . 129 THR H . 27592 1 594 . 1 . 1 129 129 THR C C 13 168.450 0.01 . 1 . . . . . 129 THR C . 27592 1 595 . 1 . 1 129 129 THR CA C 13 57.635 0.12 . 1 . . . . . 129 THR CA . 27592 1 596 . 1 . 1 129 129 THR CB C 13 65.628 0.06 . 1 . . . . . 129 THR CB . 27592 1 597 . 1 . 1 129 129 THR N N 15 113.390 0.00 . 1 . . . . . 129 THR N . 27592 1 598 . 1 . 1 130 130 ALA H H 1 10.096 0.01 . 1 . . . . . 130 ALA H . 27592 1 599 . 1 . 1 130 130 ALA C C 13 174.892 0.00 . 1 . . . . . 130 ALA C . 27592 1 600 . 1 . 1 130 130 ALA CA C 13 49.177 0.11 . 1 . . . . . 130 ALA CA . 27592 1 601 . 1 . 1 130 130 ALA CB C 13 16.197 0.07 . 1 . . . . . 130 ALA CB . 27592 1 602 . 1 . 1 130 130 ALA N N 15 131.634 0.00 . 1 . . . . . 130 ALA N . 27592 1 603 . 1 . 1 131 131 ASN H H 1 8.676 0.00 . 1 . . . . . 131 ASN H . 27592 1 604 . 1 . 1 131 131 ASN C C 13 171.769 0.01 . 1 . . . . . 131 ASN C . 27592 1 605 . 1 . 1 131 131 ASN CA C 13 48.696 0.01 . 1 . . . . . 131 ASN CA . 27592 1 606 . 1 . 1 131 131 ASN CB C 13 35.046 0.08 . 1 . . . . . 131 ASN CB . 27592 1 607 . 1 . 1 131 131 ASN N N 15 118.622 0.00 . 1 . . . . . 131 ASN N . 27592 1 608 . 1 . 1 132 132 LEU H H 1 8.598 0.01 . 1 . . . . . 132 LEU H . 27592 1 609 . 1 . 1 132 132 LEU CA C 13 54.365 0.00 . 1 . . . . . 132 LEU CA . 27592 1 610 . 1 . 1 132 132 LEU N N 15 126.344 0.00 . 1 . . . . . 132 LEU N . 27592 1 611 . 1 . 1 133 133 ASN C C 13 173.873 0.02 . 1 . . . . . 133 ASN C . 27592 1 612 . 1 . 1 133 133 ASN CA C 13 52.736 0.03 . 1 . . . . . 133 ASN CA . 27592 1 613 . 1 . 1 133 133 ASN CB C 13 34.314 0.00 . 1 . . . . . 133 ASN CB . 27592 1 614 . 1 . 1 134 134 GLY H H 1 7.160 0.01 . 1 . . . . . 134 GLY H . 27592 1 615 . 1 . 1 134 134 GLY C C 13 171.207 0.02 . 1 . . . . . 134 GLY C . 27592 1 616 . 1 . 1 134 134 GLY CA C 13 42.495 0.03 . 1 . . . . . 134 GLY CA . 27592 1 617 . 1 . 1 134 134 GLY N N 15 102.984 0.00 . 1 . . . . . 134 GLY N . 27592 1 618 . 1 . 1 135 135 ILE H H 1 6.951 0.00 . 1 . . . . . 135 ILE H . 27592 1 619 . 1 . 1 135 135 ILE C C 13 172.074 0.02 . 1 . . . . . 135 ILE C . 27592 1 620 . 1 . 1 135 135 ILE CA C 13 59.981 0.07 . 1 . . . . . 135 ILE CA . 27592 1 621 . 1 . 1 135 135 ILE CB C 13 34.545 0.18 . 1 . . . . . 135 ILE CB . 27592 1 622 . 1 . 1 135 135 ILE N N 15 119.124 0.00 . 1 . . . . . 135 ILE N . 27592 1 623 . 1 . 1 136 136 SER H H 1 8.315 0.01 . 1 . . . . . 136 SER H . 27592 1 624 . 1 . 1 136 136 SER C C 13 169.648 0.01 . 1 . . . . . 136 SER C . 27592 1 625 . 1 . 1 136 136 SER CA C 13 53.905 0.07 . 1 . . . . . 136 SER CA . 27592 1 626 . 1 . 1 136 136 SER CB C 13 62.772 0.03 . 1 . . . . . 136 SER CB . 27592 1 627 . 1 . 1 136 136 SER N N 15 125.360 0.00 . 1 . . . . . 136 SER N . 27592 1 628 . 1 . 1 137 137 ILE H H 1 9.011 0.00 . 1 . . . . . 137 ILE H . 27592 1 629 . 1 . 1 137 137 ILE C C 13 169.531 0.04 . 1 . . . . . 137 ILE C . 27592 1 630 . 1 . 1 137 137 ILE CA C 13 57.765 0.10 . 1 . . . . . 137 ILE CA . 27592 1 631 . 1 . 1 137 137 ILE CB C 13 40.564 0.16 . 1 . . . . . 137 ILE CB . 27592 1 632 . 1 . 1 137 137 ILE N N 15 121.906 0.00 . 1 . . . . . 137 ILE N . 27592 1 633 . 1 . 1 138 138 THR H H 1 9.001 0.01 . 1 . . . . . 138 THR H . 27592 1 634 . 1 . 1 138 138 THR C C 13 170.697 0.00 . 1 . . . . . 138 THR C . 27592 1 635 . 1 . 1 138 138 THR CA C 13 59.606 0.07 . 1 . . . . . 138 THR CA . 27592 1 636 . 1 . 1 138 138 THR CB C 13 68.083 0.07 . 1 . . . . . 138 THR CB . 27592 1 637 . 1 . 1 138 138 THR N N 15 124.282 0.00 . 1 . . . . . 138 THR N . 27592 1 638 . 1 . 1 139 139 ILE H H 1 8.657 0.00 . 1 . . . . . 139 ILE H . 27592 1 639 . 1 . 1 139 139 ILE C C 13 173.494 0.01 . 1 . . . . . 139 ILE C . 27592 1 640 . 1 . 1 139 139 ILE CA C 13 58.976 0.03 . 1 . . . . . 139 ILE CA . 27592 1 641 . 1 . 1 139 139 ILE CB C 13 37.802 0.10 . 1 . . . . . 139 ILE CB . 27592 1 642 . 1 . 1 139 139 ILE N N 15 127.125 0.00 . 1 . . . . . 139 ILE N . 27592 1 643 . 1 . 1 140 140 HIS H H 1 8.083 0.00 . 1 . . . . . 140 HIS H . 27592 1 644 . 1 . 1 140 140 HIS C C 13 172.010 0.02 . 1 . . . . . 140 HIS C . 27592 1 645 . 1 . 1 140 140 HIS CA C 13 54.888 0.08 . 1 . . . . . 140 HIS CA . 27592 1 646 . 1 . 1 140 140 HIS CB C 13 28.901 0.04 . 1 . . . . . 140 HIS CB . 27592 1 647 . 1 . 1 140 140 HIS N N 15 123.105 0.00 . 1 . . . . . 140 HIS N . 27592 1 648 . 1 . 1 141 141 SER H H 1 7.361 0.00 . 1 . . . . . 141 SER H . 27592 1 649 . 1 . 1 141 141 SER C C 13 167.873 0.01 . 1 . . . . . 141 SER C . 27592 1 650 . 1 . 1 141 141 SER CA C 13 55.263 0.14 . 1 . . . . . 141 SER CA . 27592 1 651 . 1 . 1 141 141 SER CB C 13 65.057 0.04 . 1 . . . . . 141 SER CB . 27592 1 652 . 1 . 1 141 141 SER N N 15 116.219 0.00 . 1 . . . . . 141 SER N . 27592 1 653 . 1 . 1 142 142 GLU H H 1 8.206 0.00 . 1 . . . . . 142 GLU H . 27592 1 654 . 1 . 1 142 142 GLU C C 13 172.535 0.01 . 1 . . . . . 142 GLU C . 27592 1 655 . 1 . 1 142 142 GLU CA C 13 54.055 0.05 . 1 . . . . . 142 GLU CA . 27592 1 656 . 1 . 1 142 142 GLU CB C 13 27.782 0.12 . 1 . . . . . 142 GLU CB . 27592 1 657 . 1 . 1 142 142 GLU N N 15 117.828 0.00 . 1 . . . . . 142 GLU N . 27592 1 658 . 1 . 1 143 143 PHE H H 1 7.935 0.00 . 1 . . . . . 143 PHE H . 27592 1 659 . 1 . 1 143 143 PHE C C 13 169.148 0.03 . 1 . . . . . 143 PHE C . 27592 1 660 . 1 . 1 143 143 PHE CA C 13 52.175 0.04 . 1 . . . . . 143 PHE CA . 27592 1 661 . 1 . 1 143 143 PHE CB C 13 40.796 0.04 . 1 . . . . . 143 PHE CB . 27592 1 662 . 1 . 1 143 143 PHE N N 15 113.047 0.00 . 1 . . . . . 143 PHE N . 27592 1 663 . 1 . 1 144 144 TYR H H 1 9.703 0.01 . 1 . . . . . 144 TYR H . 27592 1 664 . 1 . 1 144 144 TYR C C 13 172.232 0.00 . 1 . . . . . 144 TYR C . 27592 1 665 . 1 . 1 144 144 TYR CA C 13 53.385 0.08 . 1 . . . . . 144 TYR CA . 27592 1 666 . 1 . 1 144 144 TYR CB C 13 40.283 0.04 . 1 . . . . . 144 TYR CB . 27592 1 667 . 1 . 1 144 144 TYR N N 15 118.375 0.00 . 1 . . . . . 144 TYR N . 27592 1 668 . 1 . 1 145 145 ILE H H 1 8.941 0.00 . 1 . . . . . 145 ILE H . 27592 1 669 . 1 . 1 145 145 ILE C C 13 173.462 0.01 . 1 . . . . . 145 ILE C . 27592 1 670 . 1 . 1 145 145 ILE CA C 13 57.465 0.11 . 1 . . . . . 145 ILE CA . 27592 1 671 . 1 . 1 145 145 ILE CB C 13 37.958 0.09 . 1 . . . . . 145 ILE CB . 27592 1 672 . 1 . 1 145 145 ILE N N 15 119.281 0.00 . 1 . . . . . 145 ILE N . 27592 1 673 . 1 . 1 146 146 ILE H H 1 9.408 0.00 . 1 . . . . . 146 ILE H . 27592 1 674 . 1 . 1 146 146 ILE C C 13 170.181 0.00 . 1 . . . . . 146 ILE C . 27592 1 675 . 1 . 1 146 146 ILE CA C 13 55.522 0.01 . 1 . . . . . 146 ILE CA . 27592 1 676 . 1 . 1 146 146 ILE CB C 13 40.827 0.00 . 1 . . . . . 146 ILE CB . 27592 1 677 . 1 . 1 146 146 ILE N N 15 126.907 0.00 . 1 . . . . . 146 ILE N . 27592 1 678 . 1 . 1 147 147 PRO C C 13 172.794 0.00 . 1 . . . . . 147 PRO C . 27592 1 679 . 1 . 1 148 148 ARG H H 1 9.300 0.00 . 1 . . . . . 148 ARG H . 27592 1 680 . 1 . 1 148 148 ARG C C 13 170.867 0.00 . 1 . . . . . 148 ARG C . 27592 1 681 . 1 . 1 148 148 ARG CA C 13 53.028 0.00 . 1 . . . . . 148 ARG CA . 27592 1 682 . 1 . 1 148 148 ARG CB C 13 35.489 0.00 . 1 . . . . . 148 ARG CB . 27592 1 683 . 1 . 1 148 148 ARG N N 15 115.390 0.00 . 1 . . . . . 148 ARG N . 27592 1 684 . 1 . 1 149 149 SER H H 1 7.807 0.00 . 1 . . . . . 149 SER H . 27592 1 685 . 1 . 1 149 149 SER C C 13 172.988 0.00 . 1 . . . . . 149 SER C . 27592 1 686 . 1 . 1 149 149 SER CA C 13 57.621 0.02 . 1 . . . . . 149 SER CA . 27592 1 687 . 1 . 1 149 149 SER CB C 13 59.441 0.00 . 1 . . . . . 149 SER CB . 27592 1 688 . 1 . 1 149 149 SER N N 15 112.390 0.00 . 1 . . . . . 149 SER N . 27592 1 689 . 1 . 1 150 150 GLN H H 1 7.917 0.00 . 1 . . . . . 150 GLN H . 27592 1 690 . 1 . 1 150 150 GLN C C 13 173.461 0.02 . 1 . . . . . 150 GLN C . 27592 1 691 . 1 . 1 150 150 GLN CA C 13 51.690 0.04 . 1 . . . . . 150 GLN CA . 27592 1 692 . 1 . 1 150 150 GLN CB C 13 24.545 0.09 . 1 . . . . . 150 GLN CB . 27592 1 693 . 1 . 1 150 150 GLN N N 15 121.141 0.00 . 1 . . . . . 150 GLN N . 27592 1 694 . 1 . 1 151 151 GLU H H 1 7.675 0.00 . 1 . . . . . 151 GLU H . 27592 1 695 . 1 . 1 151 151 GLU C C 13 174.324 0.00 . 1 . . . . . 151 GLU C . 27592 1 696 . 1 . 1 151 151 GLU CA C 13 57.909 0.04 . 1 . . . . . 151 GLU CA . 27592 1 697 . 1 . 1 151 151 GLU CB C 13 27.151 0.00 . 1 . . . . . 151 GLU CB . 27592 1 698 . 1 . 1 151 151 GLU N N 15 121.922 0.00 . 1 . . . . . 151 GLU N . 27592 1 699 . 1 . 1 152 152 SER H H 1 8.826 0.00 . 1 . . . . . 152 SER H . 27592 1 700 . 1 . 1 152 152 SER C C 13 174.382 0.00 . 1 . . . . . 152 SER C . 27592 1 701 . 1 . 1 152 152 SER CA C 13 58.984 0.01 . 1 . . . . . 152 SER CA . 27592 1 702 . 1 . 1 152 152 SER N N 15 119.406 0.00 . 1 . . . . . 152 SER N . 27592 1 703 . 1 . 1 153 153 LYS H H 1 7.275 0.00 . 1 . . . . . 153 LYS H . 27592 1 704 . 1 . 1 153 153 LYS C C 13 174.118 0.01 . 1 . . . . . 153 LYS C . 27592 1 705 . 1 . 1 153 153 LYS CA C 13 54.515 0.05 . 1 . . . . . 153 LYS CA . 27592 1 706 . 1 . 1 153 153 LYS CB C 13 28.120 0.17 . 1 . . . . . 153 LYS CB . 27592 1 707 . 1 . 1 153 153 LYS N N 15 122.676 0.00 . 1 . . . . . 153 LYS N . 27592 1 708 . 1 . 1 154 154 CYS H H 1 7.416 0.00 . 1 . . . . . 154 CYS H . 27592 1 709 . 1 . 1 154 154 CYS C C 13 172.339 0.01 . 1 . . . . . 154 CYS C . 27592 1 710 . 1 . 1 154 154 CYS CA C 13 59.651 0.11 . 1 . . . . . 154 CYS CA . 27592 1 711 . 1 . 1 154 154 CYS CB C 13 22.630 0.07 . 1 . . . . . 154 CYS CB . 27592 1 712 . 1 . 1 154 154 CYS N N 15 117.681 0.00 . 1 . . . . . 154 CYS N . 27592 1 713 . 1 . 1 155 155 ASN H H 1 8.308 0.00 . 1 . . . . . 155 ASN H . 27592 1 714 . 1 . 1 155 155 ASN C C 13 173.951 0.02 . 1 . . . . . 155 ASN C . 27592 1 715 . 1 . 1 155 155 ASN CA C 13 54.070 0.05 . 1 . . . . . 155 ASN CA . 27592 1 716 . 1 . 1 155 155 ASN CB C 13 36.058 0.09 . 1 . . . . . 155 ASN CB . 27592 1 717 . 1 . 1 155 155 ASN N N 15 115.828 0.00 . 1 . . . . . 155 ASN N . 27592 1 718 . 1 . 1 156 156 GLU H H 1 7.255 0.00 . 1 . . . . . 156 GLU H . 27592 1 719 . 1 . 1 156 156 GLU C C 13 176.367 0.02 . 1 . . . . . 156 GLU C . 27592 1 720 . 1 . 1 156 156 GLU CA C 13 56.920 0.05 . 1 . . . . . 156 GLU CA . 27592 1 721 . 1 . 1 156 156 GLU CB C 13 26.220 0.01 . 1 . . . . . 156 GLU CB . 27592 1 722 . 1 . 1 156 156 GLU N N 15 119.220 0.00 . 1 . . . . . 156 GLU N . 27592 1 723 . 1 . 1 157 157 TYR H H 1 8.055 0.00 . 1 . . . . . 157 TYR H . 27592 1 724 . 1 . 1 157 157 TYR C C 13 175.782 0.02 . 1 . . . . . 157 TYR C . 27592 1 725 . 1 . 1 157 157 TYR CA C 13 55.910 0.03 . 1 . . . . . 157 TYR CA . 27592 1 726 . 1 . 1 157 157 TYR CB C 13 34.233 0.12 . 1 . . . . . 157 TYR CB . 27592 1 727 . 1 . 1 157 157 TYR N N 15 119.859 0.00 . 1 . . . . . 157 TYR N . 27592 1 728 . 1 . 1 158 158 ILE H H 1 8.126 0.00 . 1 . . . . . 158 ILE H . 27592 1 729 . 1 . 1 158 158 ILE C C 13 175.788 0.01 . 1 . . . . . 158 ILE C . 27592 1 730 . 1 . 1 158 158 ILE CA C 13 59.786 0.06 . 1 . . . . . 158 ILE CA . 27592 1 731 . 1 . 1 158 158 ILE N N 15 118.261 0.00 . 1 . . . . . 158 ILE N . 27592 1 732 . 1 . 1 159 159 ASN H H 1 7.464 0.00 . 1 . . . . . 159 ASN H . 27592 1 733 . 1 . 1 159 159 ASN C C 13 172.809 0.01 . 1 . . . . . 159 ASN C . 27592 1 734 . 1 . 1 159 159 ASN CA C 13 53.680 0.13 . 1 . . . . . 159 ASN CA . 27592 1 735 . 1 . 1 159 159 ASN CB C 13 38.058 0.04 . 1 . . . . . 159 ASN CB . 27592 1 736 . 1 . 1 159 159 ASN N N 15 113.859 0.00 . 1 . . . . . 159 ASN N . 27592 1 737 . 1 . 1 160 160 ASN H H 1 8.619 0.00 . 1 . . . . . 160 ASN H . 27592 1 738 . 1 . 1 160 160 ASN C C 13 172.915 0.02 . 1 . . . . . 160 ASN C . 27592 1 739 . 1 . 1 160 160 ASN CA C 13 51.070 0.18 . 1 . . . . . 160 ASN CA . 27592 1 740 . 1 . 1 160 160 ASN CB C 13 38.620 0.06 . 1 . . . . . 160 ASN CB . 27592 1 741 . 1 . 1 160 160 ASN N N 15 115.500 0.00 . 1 . . . . . 160 ASN N . 27592 1 742 . 1 . 1 161 161 GLY H H 1 8.657 0.01 . 1 . . . . . 161 GLY H . 27592 1 743 . 1 . 1 161 161 GLY C C 13 169.279 0.03 . 1 . . . . . 161 GLY C . 27592 1 744 . 1 . 1 161 161 GLY CA C 13 41.396 0.08 . 1 . . . . . 161 GLY CA . 27592 1 745 . 1 . 1 161 161 GLY N N 15 112.992 0.07 . 1 . . . . . 161 GLY N . 27592 1 746 . 1 . 1 162 162 LEU H H 1 7.631 0.00 . 1 . . . . . 162 LEU H . 27592 1 747 . 1 . 1 162 162 LEU C C 13 168.289 0.00 . 1 . . . . . 162 LEU C . 27592 1 748 . 1 . 1 162 162 LEU CA C 13 54.072 0.01 . 1 . . . . . 162 LEU CA . 27592 1 749 . 1 . 1 162 162 LEU N N 15 123.172 0.00 . 1 . . . . . 162 LEU N . 27592 1 stop_ save_