data_53571 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53571 _Entry.Title ; Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-02-12 _Entry.Accession_date 2026-02-12 _Entry.Last_release_date 2026-02-13 _Entry.Original_release_date 2026-02-13 _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 solid-state _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 Mikail Levasseur . D. . 0000-0003-4228-0875 53571 2 Naohiro Terasaka . . . 0000-0002-4988-6899 53571 3 Angela Steinauer . . . 0000-0002-1495-9330 53571 4 Stephan Tetter . . . 0000-0002-4175-0225 53571 5 Sara Pfister . . . 0000-0002-5827-4261 53571 6 Beat Meier . H. . 0000-0002-9107-4464 53571 7 Donald Hilvert . . . 0000-0002-3941-621X 53571 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53571 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 53571 '15N chemical shifts' 103 53571 '1H chemical shifts' 71 53571 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-05-15 . original BMRB . 53571 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53572 'Aquifex aeolicus lumazine synthase-derived nucleocapsid variant spNC-4' 53571 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53571 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; An engineered closed-shell, two-component, 480-subunit nucleocapsid ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mikail Levasseur . D. . . 53571 1 2 Naohiro Terasaka . . . . 53571 1 3 Angela Steinauer . . . . 53571 1 4 Stephan Tetter . . . . 53571 1 5 Sara Pfister . . . . 53571 1 6 Beat Meier . H. . . 53571 1 7 Donald Hilvert . . . . 53571 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'solid-state NMR, protein cage' 53571 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53571 _Assembly.ID 1 _Assembly.Name 'T=4 icosahedral capsid' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'NC-4 monomer' 1 $entity_1 . . yes solid no no . . . 53571 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53571 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MGNARTRRRERRAEKQAQWK AANAGAGAGAMATPHFDYNA SVVSKGLANLSLELRKPVSF DIITADTLEQAIERAGTKHG NKGWEAALSAIEMANLYKSL RGTEHHHHLHGSSIEIYEGK LTAEGLRFGIVASRFNHTLV DRLVEGAIDCIVRHGGRGED ITLVRVPGAWEIPVAADELA RKEDIDAVIAFGDLIRG ; _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 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_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 . 53571 1 2 . GLY . 53571 1 3 . ASN . 53571 1 4 . ALA . 53571 1 5 . ARG . 53571 1 6 . THR . 53571 1 7 . ARG . 53571 1 8 . ARG . 53571 1 9 . ARG . 53571 1 10 . GLU . 53571 1 11 . ARG . 53571 1 12 . ARG . 53571 1 13 . ALA . 53571 1 14 . GLU . 53571 1 15 . LYS . 53571 1 16 . GLN . 53571 1 17 . ALA . 53571 1 18 . GLN . 53571 1 19 . TRP . 53571 1 20 . LYS . 53571 1 21 . ALA . 53571 1 22 . ALA . 53571 1 23 . ASN . 53571 1 24 . ALA . 53571 1 25 . GLY . 53571 1 26 . ALA . 53571 1 27 . GLY . 53571 1 28 . ALA . 53571 1 29 . GLY . 53571 1 30 . ALA . 53571 1 31 . MET . 53571 1 32 . ALA . 53571 1 33 . THR . 53571 1 34 . PRO . 53571 1 35 . HIS . 53571 1 36 . PHE . 53571 1 37 . ASP . 53571 1 38 . TYR . 53571 1 39 . ASN . 53571 1 40 . ALA . 53571 1 41 . SER . 53571 1 42 . VAL . 53571 1 43 . VAL . 53571 1 44 . SER . 53571 1 45 . LYS . 53571 1 46 . GLY . 53571 1 47 . LEU . 53571 1 48 . ALA . 53571 1 49 . ASN . 53571 1 50 . LEU . 53571 1 51 . SER . 53571 1 52 . LEU . 53571 1 53 . GLU . 53571 1 54 . LEU . 53571 1 55 . ARG . 53571 1 56 . LYS . 53571 1 57 . PRO . 53571 1 58 . VAL . 53571 1 59 . SER . 53571 1 60 . PHE . 53571 1 61 . ASP . 53571 1 62 . ILE . 53571 1 63 . ILE . 53571 1 64 . THR . 53571 1 65 . ALA . 53571 1 66 . ASP . 53571 1 67 . THR . 53571 1 68 . LEU . 53571 1 69 . GLU . 53571 1 70 . GLN . 53571 1 71 . ALA . 53571 1 72 . ILE . 53571 1 73 . GLU . 53571 1 74 . ARG . 53571 1 75 . ALA . 53571 1 76 . GLY . 53571 1 77 . THR . 53571 1 78 . LYS . 53571 1 79 . HIS . 53571 1 80 . GLY . 53571 1 81 . ASN . 53571 1 82 . LYS . 53571 1 83 . GLY . 53571 1 84 . TRP . 53571 1 85 . GLU . 53571 1 86 . ALA . 53571 1 87 . ALA . 53571 1 88 . LEU . 53571 1 89 . SER . 53571 1 90 . ALA . 53571 1 91 . ILE . 53571 1 92 . GLU . 53571 1 93 . MET . 53571 1 94 . ALA . 53571 1 95 . ASN . 53571 1 96 . LEU . 53571 1 97 . TYR . 53571 1 98 . LYS . 53571 1 99 . SER . 53571 1 100 . LEU . 53571 1 101 . ARG . 53571 1 102 . GLY . 53571 1 103 . THR . 53571 1 104 . GLU . 53571 1 105 . HIS . 53571 1 106 . HIS . 53571 1 107 . HIS . 53571 1 108 . HIS . 53571 1 109 . LEU . 53571 1 110 . HIS . 53571 1 111 . GLY . 53571 1 112 . SER . 53571 1 113 . SER . 53571 1 114 . ILE . 53571 1 115 . GLU . 53571 1 116 . ILE . 53571 1 117 . TYR . 53571 1 118 . GLU . 53571 1 119 . GLY . 53571 1 120 . LYS . 53571 1 121 . LEU . 53571 1 122 . THR . 53571 1 123 . ALA . 53571 1 124 . GLU . 53571 1 125 . GLY . 53571 1 126 . LEU . 53571 1 127 . ARG . 53571 1 128 . PHE . 53571 1 129 . GLY . 53571 1 130 . ILE . 53571 1 131 . VAL . 53571 1 132 . ALA . 53571 1 133 . SER . 53571 1 134 . ARG . 53571 1 135 . PHE . 53571 1 136 . ASN . 53571 1 137 . HIS . 53571 1 138 . THR . 53571 1 139 . LEU . 53571 1 140 . VAL . 53571 1 141 . ASP . 53571 1 142 . ARG . 53571 1 143 . LEU . 53571 1 144 . VAL . 53571 1 145 . GLU . 53571 1 146 . GLY . 53571 1 147 . ALA . 53571 1 148 . ILE . 53571 1 149 . ASP . 53571 1 150 . CYS . 53571 1 151 . ILE . 53571 1 152 . VAL . 53571 1 153 . ARG . 53571 1 154 . HIS . 53571 1 155 . GLY . 53571 1 156 . GLY . 53571 1 157 . ARG . 53571 1 158 . GLY . 53571 1 159 . GLU . 53571 1 160 . ASP . 53571 1 161 . ILE . 53571 1 162 . THR . 53571 1 163 . LEU . 53571 1 164 . VAL . 53571 1 165 . ARG . 53571 1 166 . VAL . 53571 1 167 . PRO . 53571 1 168 . GLY . 53571 1 169 . ALA . 53571 1 170 . TRP . 53571 1 171 . GLU . 53571 1 172 . ILE . 53571 1 173 . PRO . 53571 1 174 . VAL . 53571 1 175 . ALA . 53571 1 176 . ALA . 53571 1 177 . ASP . 53571 1 178 . GLU . 53571 1 179 . LEU . 53571 1 180 . ALA . 53571 1 181 . ARG . 53571 1 182 . LYS . 53571 1 183 . GLU . 53571 1 184 . ASP . 53571 1 185 . ILE . 53571 1 186 . ASP . 53571 1 187 . ALA . 53571 1 188 . VAL . 53571 1 189 . ILE . 53571 1 190 . ALA . 53571 1 191 . PHE . 53571 1 192 . GLY . 53571 1 193 . ASP . 53571 1 194 . LEU . 53571 1 195 . ILE . 53571 1 196 . ARG . 53571 1 197 . GLY . 53571 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 53571 1 . GLY 2 2 53571 1 . ASN 3 3 53571 1 . ALA 4 4 53571 1 . ARG 5 5 53571 1 . THR 6 6 53571 1 . ARG 7 7 53571 1 . ARG 8 8 53571 1 . ARG 9 9 53571 1 . GLU 10 10 53571 1 . ARG 11 11 53571 1 . ARG 12 12 53571 1 . ALA 13 13 53571 1 . GLU 14 14 53571 1 . LYS 15 15 53571 1 . GLN 16 16 53571 1 . ALA 17 17 53571 1 . GLN 18 18 53571 1 . TRP 19 19 53571 1 . LYS 20 20 53571 1 . ALA 21 21 53571 1 . ALA 22 22 53571 1 . ASN 23 23 53571 1 . ALA 24 24 53571 1 . GLY 25 25 53571 1 . ALA 26 26 53571 1 . GLY 27 27 53571 1 . ALA 28 28 53571 1 . GLY 29 29 53571 1 . ALA 30 30 53571 1 . MET 31 31 53571 1 . ALA 32 32 53571 1 . THR 33 33 53571 1 . PRO 34 34 53571 1 . HIS 35 35 53571 1 . PHE 36 36 53571 1 . ASP 37 37 53571 1 . TYR 38 38 53571 1 . ASN 39 39 53571 1 . ALA 40 40 53571 1 . SER 41 41 53571 1 . VAL 42 42 53571 1 . VAL 43 43 53571 1 . SER 44 44 53571 1 . LYS 45 45 53571 1 . GLY 46 46 53571 1 . LEU 47 47 53571 1 . ALA 48 48 53571 1 . ASN 49 49 53571 1 . LEU 50 50 53571 1 . SER 51 51 53571 1 . LEU 52 52 53571 1 . GLU 53 53 53571 1 . LEU 54 54 53571 1 . ARG 55 55 53571 1 . LYS 56 56 53571 1 . PRO 57 57 53571 1 . VAL 58 58 53571 1 . SER 59 59 53571 1 . PHE 60 60 53571 1 . ASP 61 61 53571 1 . ILE 62 62 53571 1 . ILE 63 63 53571 1 . THR 64 64 53571 1 . ALA 65 65 53571 1 . ASP 66 66 53571 1 . THR 67 67 53571 1 . LEU 68 68 53571 1 . GLU 69 69 53571 1 . GLN 70 70 53571 1 . ALA 71 71 53571 1 . ILE 72 72 53571 1 . GLU 73 73 53571 1 . ARG 74 74 53571 1 . ALA 75 75 53571 1 . GLY 76 76 53571 1 . THR 77 77 53571 1 . LYS 78 78 53571 1 . HIS 79 79 53571 1 . GLY 80 80 53571 1 . ASN 81 81 53571 1 . LYS 82 82 53571 1 . GLY 83 83 53571 1 . TRP 84 84 53571 1 . GLU 85 85 53571 1 . ALA 86 86 53571 1 . ALA 87 87 53571 1 . LEU 88 88 53571 1 . SER 89 89 53571 1 . ALA 90 90 53571 1 . ILE 91 91 53571 1 . GLU 92 92 53571 1 . MET 93 93 53571 1 . ALA 94 94 53571 1 . ASN 95 95 53571 1 . LEU 96 96 53571 1 . TYR 97 97 53571 1 . LYS 98 98 53571 1 . SER 99 99 53571 1 . LEU 100 100 53571 1 . ARG 101 101 53571 1 . GLY 102 102 53571 1 . THR 103 103 53571 1 . GLU 104 104 53571 1 . HIS 105 105 53571 1 . HIS 106 106 53571 1 . HIS 107 107 53571 1 . HIS 108 108 53571 1 . LEU 109 109 53571 1 . HIS 110 110 53571 1 . GLY 111 111 53571 1 . SER 112 112 53571 1 . SER 113 113 53571 1 . ILE 114 114 53571 1 . GLU 115 115 53571 1 . ILE 116 116 53571 1 . TYR 117 117 53571 1 . GLU 118 118 53571 1 . GLY 119 119 53571 1 . LYS 120 120 53571 1 . LEU 121 121 53571 1 . THR 122 122 53571 1 . ALA 123 123 53571 1 . GLU 124 124 53571 1 . GLY 125 125 53571 1 . LEU 126 126 53571 1 . ARG 127 127 53571 1 . PHE 128 128 53571 1 . GLY 129 129 53571 1 . ILE 130 130 53571 1 . VAL 131 131 53571 1 . ALA 132 132 53571 1 . SER 133 133 53571 1 . ARG 134 134 53571 1 . PHE 135 135 53571 1 . ASN 136 136 53571 1 . HIS 137 137 53571 1 . THR 138 138 53571 1 . LEU 139 139 53571 1 . VAL 140 140 53571 1 . ASP 141 141 53571 1 . ARG 142 142 53571 1 . LEU 143 143 53571 1 . VAL 144 144 53571 1 . GLU 145 145 53571 1 . GLY 146 146 53571 1 . ALA 147 147 53571 1 . ILE 148 148 53571 1 . ASP 149 149 53571 1 . CYS 150 150 53571 1 . ILE 151 151 53571 1 . VAL 152 152 53571 1 . ARG 153 153 53571 1 . HIS 154 154 53571 1 . GLY 155 155 53571 1 . GLY 156 156 53571 1 . ARG 157 157 53571 1 . GLY 158 158 53571 1 . GLU 159 159 53571 1 . ASP 160 160 53571 1 . ILE 161 161 53571 1 . THR 162 162 53571 1 . LEU 163 163 53571 1 . VAL 164 164 53571 1 . ARG 165 165 53571 1 . VAL 166 166 53571 1 . PRO 167 167 53571 1 . GLY 168 168 53571 1 . ALA 169 169 53571 1 . TRP 170 170 53571 1 . GLU 171 171 53571 1 . ILE 172 172 53571 1 . PRO 173 173 53571 1 . VAL 174 174 53571 1 . ALA 175 175 53571 1 . ALA 176 176 53571 1 . ASP 177 177 53571 1 . GLU 178 178 53571 1 . LEU 179 179 53571 1 . ALA 180 180 53571 1 . ARG 181 181 53571 1 . LYS 182 182 53571 1 . GLU 183 183 53571 1 . ASP 184 184 53571 1 . ILE 185 185 53571 1 . ASP 186 186 53571 1 . ALA 187 187 53571 1 . VAL 188 188 53571 1 . ILE 189 189 53571 1 . ALA 190 190 53571 1 . PHE 191 191 53571 1 . GLY 192 192 53571 1 . ASP 193 193 53571 1 . LEU 194 194 53571 1 . ILE 195 195 53571 1 . ARG 196 196 53571 1 . GLY 197 197 53571 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53571 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 63363 organism . 'Aquifex aeolicus' 'Aquifex aeolicus' . . Bacteria . Aquifex aeolicus . . . . . . . . . . . . . 53571 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53571 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pMG . . . 53571 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53571 _Sample.ID 1 _Sample.Name '13C,15N-labeled NC-4' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system H2O _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 'Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4' '[U-13C; U-15N]' . . 1 $entity_1 . . na . . na . . . . 53571 1 2 H2O 'natural abundance' . . . . . . na . . na . . . . 53571 1 3 DSS 'natural abundance' . . . . . . na . . na . . . . 53571 1 4 'sodium azide' 'natural abundance' . . . . . . na . . na . . . . 53571 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 53571 _Sample_condition_list.ID 1 _Sample_condition_list.Name Carbon-detected _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 7.4 . pH 53571 1 temperature 4 . K 53571 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 53571 _Sample_condition_list.ID 2 _Sample_condition_list.Name Proton-detected _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 7.4 . pH 53571 2 temperature 20 . K 53571 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53571 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Spectral processing' . 53571 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53571 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Spectral analysis and resonance assignment' . 53571 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53571 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53571 _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 13C-13C DARR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53571 1 2 '2D NCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53571 1 3 '2D NCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53571 1 4 '2D NCACX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53571 1 5 '2D hNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53571 1 6 '2D hCH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53571 1 7 '3D hCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53571 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53571 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53571 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 na direct 1.0 . . . . . 53571 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53571 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53571 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NC-4 chemical shift assignments' _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 $chem_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 13C-13C DARR' . . . 53571 1 2 '2D NCA' . . . 53571 1 3 '2D NCO' . . . 53571 1 4 '2D NCACX' . . . 53571 1 5 '2D hNH' . . . 53571 1 6 '2D hCH' . . . 53571 1 7 '3D hCANH' . . . 53571 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 $software_1 . . 53571 1 2 $software_2 . . 53571 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 48 48 ALA C C 13 181.471 0.052 . 1 . . . . . 48 ALA C . 53571 1 2 . 1 . 1 48 48 ALA CA C 13 55.005 0.084 . 1 . . . . . 48 ALA CA . 53571 1 3 . 1 . 1 48 48 ALA N N 15 122.352 0.000 . 1 . . . . . 48 ALA N . 53571 1 4 . 1 . 1 49 49 ASN C C 13 177.926 0.000 . 1 . . . . . 49 ASN C . 53571 1 5 . 1 . 1 49 49 ASN CA C 13 55.778 0.100 . 1 . . . . . 49 ASN CA . 53571 1 6 . 1 . 1 49 49 ASN CB C 13 37.773 0.033 . 1 . . . . . 49 ASN CB . 53571 1 7 . 1 . 1 49 49 ASN CG C 13 175.881 0.029 . 1 . . . . . 49 ASN CG . 53571 1 8 . 1 . 1 49 49 ASN N N 15 117.891 0.302 . 1 . . . . . 49 ASN N . 53571 1 9 . 1 . 1 50 50 LEU H H 1 7.808 0.013 . 1 . . . . . 50 LEU H . 53571 1 10 . 1 . 1 50 50 LEU C C 13 177.953 0.069 . 1 . . . . . 50 LEU C . 53571 1 11 . 1 . 1 50 50 LEU CA C 13 57.753 0.066 . 1 . . . . . 50 LEU CA . 53571 1 12 . 1 . 1 50 50 LEU CB C 13 42.478 0.034 . 1 . . . . . 50 LEU CB . 53571 1 13 . 1 . 1 50 50 LEU CG C 13 26.646 0.052 . 1 . . . . . 50 LEU CG . 53571 1 14 . 1 . 1 50 50 LEU CD1 C 13 23.822 0.049 . 1 . . . . . 50 LEU CD1 . 53571 1 15 . 1 . 1 50 50 LEU N N 15 123.709 0.253 . 1 . . . . . 50 LEU N . 53571 1 16 . 1 . 1 51 51 SER H H 1 8.013 0.027 . 1 . . . . . 51 SER H . 53571 1 17 . 1 . 1 51 51 SER C C 13 177.311 0.053 . 1 . . . . . 51 SER C . 53571 1 18 . 1 . 1 51 51 SER CA C 13 60.769 0.032 . 1 . . . . . 51 SER CA . 53571 1 19 . 1 . 1 51 51 SER CB C 13 63.862 0.123 . 1 . . . . . 51 SER CB . 53571 1 20 . 1 . 1 51 51 SER N N 15 112.742 0.063 . 1 . . . . . 51 SER N . 53571 1 21 . 1 . 1 52 52 LEU H H 1 7.410 0.000 . 1 . . . . . 52 LEU H . 53571 1 22 . 1 . 1 52 52 LEU CA C 13 57.369 0.141 . 1 . . . . . 52 LEU CA . 53571 1 23 . 1 . 1 52 52 LEU CB C 13 42.096 0.059 . 1 . . . . . 52 LEU CB . 53571 1 24 . 1 . 1 52 52 LEU CG C 13 26.942 0.055 . 1 . . . . . 52 LEU CG . 53571 1 25 . 1 . 1 52 52 LEU N N 15 117.995 0.288 . 1 . . . . . 52 LEU N . 53571 1 26 . 1 . 1 53 53 GLU C C 13 178.715 0.073 . 1 . . . . . 53 GLU C . 53571 1 27 . 1 . 1 53 53 GLU CA C 13 59.060 0.026 . 1 . . . . . 53 GLU CA . 53571 1 28 . 1 . 1 53 53 GLU CB C 13 29.697 0.063 . 1 . . . . . 53 GLU CB . 53571 1 29 . 1 . 1 53 53 GLU CD C 13 182.925 0.000 . 1 . . . . . 53 GLU CD . 53571 1 30 . 1 . 1 53 53 GLU N N 15 119.496 0.000 . 1 . . . . . 53 GLU N . 53571 1 31 . 1 . 1 54 54 LEU H H 1 8.263 0.000 . 1 . . . . . 54 LEU H . 53571 1 32 . 1 . 1 54 54 LEU C C 13 176.426 0.039 . 1 . . . . . 54 LEU C . 53571 1 33 . 1 . 1 54 54 LEU CA C 13 54.188 0.064 . 1 . . . . . 54 LEU CA . 53571 1 34 . 1 . 1 54 54 LEU CB C 13 42.547 0.120 . 1 . . . . . 54 LEU CB . 53571 1 35 . 1 . 1 54 54 LEU CG C 13 26.818 0.096 . 1 . . . . . 54 LEU CG . 53571 1 36 . 1 . 1 54 54 LEU CD1 C 13 21.831 0.084 . 1 . . . . . 54 LEU CD1 . 53571 1 37 . 1 . 1 54 54 LEU N N 15 114.414 0.256 . 1 . . . . . 54 LEU N . 53571 1 38 . 1 . 1 55 55 ARG CA C 13 54.972 0.000 . 1 . . . . . 55 ARG CA . 53571 1 39 . 1 . 1 55 55 ARG N N 15 118.143 0.000 . 1 . . . . . 55 ARG N . 53571 1 40 . 1 . 1 58 58 VAL C C 13 174.657 0.000 . 1 . . . . . 58 VAL C . 53571 1 41 . 1 . 1 59 59 SER C C 13 172.291 0.013 . 1 . . . . . 59 SER C . 53571 1 42 . 1 . 1 59 59 SER CA C 13 56.257 0.007 . 1 . . . . . 59 SER CA . 53571 1 43 . 1 . 1 59 59 SER CB C 13 67.014 0.130 . 1 . . . . . 59 SER CB . 53571 1 44 . 1 . 1 59 59 SER N N 15 120.383 0.029 . 1 . . . . . 59 SER N . 53571 1 45 . 1 . 1 60 60 PHE CA C 13 56.166 0.022 . 1 . . . . . 60 PHE CA . 53571 1 46 . 1 . 1 60 60 PHE CB C 13 42.609 0.000 . 1 . . . . . 60 PHE CB . 53571 1 47 . 1 . 1 60 60 PHE CG C 13 138.823 0.027 . 1 . . . . . 60 PHE CG . 53571 1 48 . 1 . 1 60 60 PHE N N 15 120.759 0.155 . 1 . . . . . 60 PHE N . 53571 1 49 . 1 . 1 64 64 THR C C 13 174.112 0.115 . 1 . . . . . 64 THR C . 53571 1 50 . 1 . 1 64 64 THR CA C 13 59.232 0.074 . 1 . . . . . 64 THR CA . 53571 1 51 . 1 . 1 64 64 THR CB C 13 68.756 0.020 . 1 . . . . . 64 THR CB . 53571 1 52 . 1 . 1 64 64 THR N N 15 109.782 0.147 . 1 . . . . . 64 THR N . 53571 1 53 . 1 . 1 65 65 ALA H H 1 8.750 0.004 . 1 . . . . . 65 ALA H . 53571 1 54 . 1 . 1 65 65 ALA C C 13 175.835 0.015 . 1 . . . . . 65 ALA C . 53571 1 55 . 1 . 1 65 65 ALA CA C 13 50.486 0.133 . 1 . . . . . 65 ALA CA . 53571 1 56 . 1 . 1 65 65 ALA CB C 13 19.610 0.061 . 1 . . . . . 65 ALA CB . 53571 1 57 . 1 . 1 65 65 ALA N N 15 127.800 0.078 . 1 . . . . . 65 ALA N . 53571 1 58 . 1 . 1 66 66 ASP C C 13 176.696 0.064 . 1 . . . . . 66 ASP C . 53571 1 59 . 1 . 1 66 66 ASP CA C 13 52.485 0.047 . 1 . . . . . 66 ASP CA . 53571 1 60 . 1 . 1 66 66 ASP CB C 13 40.630 0.081 . 1 . . . . . 66 ASP CB . 53571 1 61 . 1 . 1 66 66 ASP CG C 13 178.391 0.053 . 1 . . . . . 66 ASP CG . 53571 1 62 . 1 . 1 66 66 ASP N N 15 127.011 0.110 . 1 . . . . . 66 ASP N . 53571 1 63 . 1 . 1 67 67 THR H H 1 8.265 0.009 . 1 . . . . . 67 THR H . 53571 1 64 . 1 . 1 67 67 THR C C 13 177.011 0.027 . 1 . . . . . 67 THR C . 53571 1 65 . 1 . 1 67 67 THR CA C 13 67.249 0.077 . 1 . . . . . 67 THR CA . 53571 1 66 . 1 . 1 67 67 THR CB C 13 68.831 0.023 . 1 . . . . . 67 THR CB . 53571 1 67 . 1 . 1 67 67 THR CG2 C 13 22.305 0.022 . 1 . . . . . 67 THR CG2 . 53571 1 68 . 1 . 1 67 67 THR N N 15 111.770 0.048 . 1 . . . . . 67 THR N . 53571 1 69 . 1 . 1 68 68 LEU H H 1 8.123 0.000 . 1 . . . . . 68 LEU H . 53571 1 70 . 1 . 1 68 68 LEU C C 13 178.090 0.000 . 1 . . . . . 68 LEU C . 53571 1 71 . 1 . 1 68 68 LEU CA C 13 58.170 0.013 . 1 . . . . . 68 LEU CA . 53571 1 72 . 1 . 1 68 68 LEU CB C 13 39.283 0.020 . 1 . . . . . 68 LEU CB . 53571 1 73 . 1 . 1 68 68 LEU N N 15 125.026 0.165 . 1 . . . . . 68 LEU N . 53571 1 74 . 1 . 1 69 69 GLU N N 15 123.773 0.046 . 1 . . . . . 69 GLU N . 53571 1 75 . 1 . 1 71 71 ALA C C 13 180.980 0.000 . 1 . . . . . 71 ALA C . 53571 1 76 . 1 . 1 72 72 ILE CA C 13 65.625 0.085 . 1 . . . . . 72 ILE CA . 53571 1 77 . 1 . 1 72 72 ILE CB C 13 38.416 0.000 . 1 . . . . . 72 ILE CB . 53571 1 78 . 1 . 1 72 72 ILE CG1 C 13 27.161 0.000 . 1 . . . . . 72 ILE CG1 . 53571 1 79 . 1 . 1 72 72 ILE CG2 C 13 17.226 0.000 . 1 . . . . . 72 ILE CG2 . 53571 1 80 . 1 . 1 72 72 ILE N N 15 121.205 0.009 . 1 . . . . . 72 ILE N . 53571 1 81 . 1 . 1 76 76 GLY CA C 13 47.863 0.000 . 1 . . . . . 76 GLY CA . 53571 1 82 . 1 . 1 77 77 THR C C 13 175.886 0.043 . 1 . . . . . 77 THR C . 53571 1 83 . 1 . 1 77 77 THR CA C 13 66.395 0.072 . 1 . . . . . 77 THR CA . 53571 1 84 . 1 . 1 77 77 THR CB C 13 68.543 0.016 . 1 . . . . . 77 THR CB . 53571 1 85 . 1 . 1 77 77 THR CG2 C 13 21.930 0.032 . 1 . . . . . 77 THR CG2 . 53571 1 86 . 1 . 1 77 77 THR N N 15 121.207 0.135 . 1 . . . . . 77 THR N . 53571 1 87 . 1 . 1 78 78 LYS C C 13 179.543 0.048 . 1 . . . . . 78 LYS C . 53571 1 88 . 1 . 1 78 78 LYS CA C 13 59.601 0.045 . 1 . . . . . 78 LYS CA . 53571 1 89 . 1 . 1 78 78 LYS CB C 13 31.980 0.033 . 1 . . . . . 78 LYS CB . 53571 1 90 . 1 . 1 78 78 LYS N N 15 123.110 0.074 . 1 . . . . . 78 LYS N . 53571 1 91 . 1 . 1 80 80 GLY C C 13 176.816 0.055 . 1 . . . . . 80 GLY C . 53571 1 92 . 1 . 1 80 80 GLY CA C 13 47.806 0.042 . 1 . . . . . 80 GLY CA . 53571 1 93 . 1 . 1 80 80 GLY N N 15 106.022 0.385 . 1 . . . . . 80 GLY N . 53571 1 94 . 1 . 1 81 81 ASN H H 1 8.443 0.000 . 1 . . . . . 81 ASN H . 53571 1 95 . 1 . 1 81 81 ASN C C 13 177.620 0.062 . 1 . . . . . 81 ASN C . 53571 1 96 . 1 . 1 81 81 ASN CA C 13 55.560 0.080 . 1 . . . . . 81 ASN CA . 53571 1 97 . 1 . 1 81 81 ASN CB C 13 37.782 0.033 . 1 . . . . . 81 ASN CB . 53571 1 98 . 1 . 1 81 81 ASN CG C 13 176.043 0.123 . 1 . . . . . 81 ASN CG . 53571 1 99 . 1 . 1 81 81 ASN N N 15 119.657 0.142 . 1 . . . . . 81 ASN N . 53571 1 100 . 1 . 1 82 82 LYS H H 1 8.078 0.000 . 1 . . . . . 82 LYS H . 53571 1 101 . 1 . 1 82 82 LYS C C 13 179.625 0.104 . 1 . . . . . 82 LYS C . 53571 1 102 . 1 . 1 82 82 LYS CA C 13 58.724 0.146 . 1 . . . . . 82 LYS CA . 53571 1 103 . 1 . 1 82 82 LYS CB C 13 31.129 0.005 . 1 . . . . . 82 LYS CB . 53571 1 104 . 1 . 1 82 82 LYS CG C 13 24.487 0.069 . 1 . . . . . 82 LYS CG . 53571 1 105 . 1 . 1 82 82 LYS N N 15 121.183 0.244 . 1 . . . . . 82 LYS N . 53571 1 106 . 1 . 1 83 83 GLY C C 13 174.942 0.067 . 1 . . . . . 83 GLY C . 53571 1 107 . 1 . 1 83 83 GLY CA C 13 47.795 0.073 . 1 . . . . . 83 GLY CA . 53571 1 108 . 1 . 1 83 83 GLY N N 15 106.519 0.000 . 1 . . . . . 83 GLY N . 53571 1 109 . 1 . 1 84 84 TRP H H 1 8.444 0.000 . 1 . . . . . 84 TRP H . 53571 1 110 . 1 . 1 84 84 TRP C C 13 178.183 0.071 . 1 . . . . . 84 TRP C . 53571 1 111 . 1 . 1 84 84 TRP CA C 13 61.238 0.065 . 1 . . . . . 84 TRP CA . 53571 1 112 . 1 . 1 84 84 TRP CB C 13 27.703 0.035 . 1 . . . . . 84 TRP CB . 53571 1 113 . 1 . 1 84 84 TRP CG C 13 111.125 0.127 . 1 . . . . . 84 TRP CG . 53571 1 114 . 1 . 1 84 84 TRP CD1 C 13 127.958 0.083 . 1 . . . . . 84 TRP CD1 . 53571 1 115 . 1 . 1 84 84 TRP CD2 C 13 130.310 0.182 . 1 . . . . . 84 TRP CD2 . 53571 1 116 . 1 . 1 84 84 TRP N N 15 123.191 0.091 . 1 . . . . . 84 TRP N . 53571 1 117 . 1 . 1 85 85 GLU H H 1 8.947 0.000 . 1 . . . . . 85 GLU H . 53571 1 118 . 1 . 1 85 85 GLU C C 13 179.310 0.065 . 1 . . . . . 85 GLU C . 53571 1 119 . 1 . 1 85 85 GLU CA C 13 59.534 0.096 . 1 . . . . . 85 GLU CA . 53571 1 120 . 1 . 1 85 85 GLU CB C 13 29.677 0.039 . 1 . . . . . 85 GLU CB . 53571 1 121 . 1 . 1 85 85 GLU CG C 13 36.573 0.047 . 1 . . . . . 85 GLU CG . 53571 1 122 . 1 . 1 85 85 GLU CD C 13 183.302 0.095 . 1 . . . . . 85 GLU CD . 53571 1 123 . 1 . 1 85 85 GLU N N 15 117.695 0.168 . 1 . . . . . 85 GLU N . 53571 1 124 . 1 . 1 86 86 ALA H H 1 8.058 0.000 . 1 . . . . . 86 ALA H . 53571 1 125 . 1 . 1 86 86 ALA C C 13 181.438 0.027 . 1 . . . . . 86 ALA C . 53571 1 126 . 1 . 1 86 86 ALA CA C 13 54.937 0.074 . 1 . . . . . 86 ALA CA . 53571 1 127 . 1 . 1 86 86 ALA CB C 13 18.439 0.059 . 1 . . . . . 86 ALA CB . 53571 1 128 . 1 . 1 86 86 ALA N N 15 122.369 0.259 . 1 . . . . . 86 ALA N . 53571 1 129 . 1 . 1 87 87 ALA H H 1 8.000 0.000 . 1 . . . . . 87 ALA H . 53571 1 130 . 1 . 1 87 87 ALA C C 13 177.766 0.104 . 1 . . . . . 87 ALA C . 53571 1 131 . 1 . 1 87 87 ALA CA C 13 54.921 0.058 . 1 . . . . . 87 ALA CA . 53571 1 132 . 1 . 1 87 87 ALA CB C 13 19.323 0.118 . 1 . . . . . 87 ALA CB . 53571 1 133 . 1 . 1 87 87 ALA N N 15 121.710 0.174 . 1 . . . . . 87 ALA N . 53571 1 134 . 1 . 1 88 88 LEU C C 13 180.894 0.041 . 1 . . . . . 88 LEU C . 53571 1 135 . 1 . 1 88 88 LEU CA C 13 57.712 0.034 . 1 . . . . . 88 LEU CA . 53571 1 136 . 1 . 1 88 88 LEU CB C 13 42.363 0.066 . 1 . . . . . 88 LEU CB . 53571 1 137 . 1 . 1 88 88 LEU CG C 13 26.233 0.098 . 1 . . . . . 88 LEU CG . 53571 1 138 . 1 . 1 88 88 LEU N N 15 120.081 0.246 . 1 . . . . . 88 LEU N . 53571 1 139 . 1 . 1 89 89 SER H H 1 7.687 0.000 . 1 . . . . . 89 SER H . 53571 1 140 . 1 . 1 89 89 SER C C 13 175.151 0.027 . 1 . . . . . 89 SER C . 53571 1 141 . 1 . 1 89 89 SER CA C 13 61.691 0.076 . 1 . . . . . 89 SER CA . 53571 1 142 . 1 . 1 89 89 SER CB C 13 62.684 0.066 . 1 . . . . . 89 SER CB . 53571 1 143 . 1 . 1 89 89 SER N N 15 113.767 0.200 . 1 . . . . . 89 SER N . 53571 1 144 . 1 . 1 90 90 ALA H H 1 7.297 0.006 . 1 . . . . . 90 ALA H . 53571 1 145 . 1 . 1 90 90 ALA C C 13 179.188 0.031 . 1 . . . . . 90 ALA C . 53571 1 146 . 1 . 1 90 90 ALA CA C 13 55.548 0.095 . 1 . . . . . 90 ALA CA . 53571 1 147 . 1 . 1 90 90 ALA CB C 13 18.452 0.051 . 1 . . . . . 90 ALA CB . 53571 1 148 . 1 . 1 90 90 ALA N N 15 123.355 0.303 . 1 . . . . . 90 ALA N . 53571 1 149 . 1 . 1 91 91 ILE H H 1 8.634 0.000 . 1 . . . . . 91 ILE H . 53571 1 150 . 1 . 1 91 91 ILE C C 13 179.155 0.052 . 1 . . . . . 91 ILE C . 53571 1 151 . 1 . 1 91 91 ILE CA C 13 65.875 0.133 . 1 . . . . . 91 ILE CA . 53571 1 152 . 1 . 1 91 91 ILE CB C 13 39.157 0.127 . 1 . . . . . 91 ILE CB . 53571 1 153 . 1 . 1 91 91 ILE CG1 C 13 29.738 0.028 . 1 . . . . . 91 ILE CG1 . 53571 1 154 . 1 . 1 91 91 ILE CG2 C 13 17.404 0.041 . 1 . . . . . 91 ILE CG2 . 53571 1 155 . 1 . 1 91 91 ILE CD1 C 13 14.410 0.032 . 1 . . . . . 91 ILE CD1 . 53571 1 156 . 1 . 1 91 91 ILE N N 15 117.443 0.203 . 1 . . . . . 91 ILE N . 53571 1 157 . 1 . 1 92 92 GLU C C 13 179.239 0.067 . 1 . . . . . 92 GLU C . 53571 1 158 . 1 . 1 92 92 GLU CA C 13 59.403 0.127 . 1 . . . . . 92 GLU CA . 53571 1 159 . 1 . 1 92 92 GLU CG C 13 35.177 0.038 . 1 . . . . . 92 GLU CG . 53571 1 160 . 1 . 1 92 92 GLU CD C 13 183.302 0.095 . 1 . . . . . 92 GLU CD . 53571 1 161 . 1 . 1 92 92 GLU N N 15 117.757 0.179 . 1 . . . . . 92 GLU N . 53571 1 162 . 1 . 1 93 93 MET H H 1 8.604 0.000 . 1 . . . . . 93 MET H . 53571 1 163 . 1 . 1 93 93 MET C C 13 178.396 0.035 . 1 . . . . . 93 MET C . 53571 1 164 . 1 . 1 93 93 MET CA C 13 55.576 0.143 . 1 . . . . . 93 MET CA . 53571 1 165 . 1 . 1 93 93 MET CB C 13 29.091 0.141 . 1 . . . . . 93 MET CB . 53571 1 166 . 1 . 1 93 93 MET CG C 13 30.708 0.000 . 1 . . . . . 93 MET CG . 53571 1 167 . 1 . 1 93 93 MET N N 15 115.285 0.288 . 1 . . . . . 93 MET N . 53571 1 168 . 1 . 1 94 94 ALA H H 1 8.894 0.000 . 1 . . . . . 94 ALA H . 53571 1 169 . 1 . 1 94 94 ALA C C 13 181.448 0.022 . 1 . . . . . 94 ALA C . 53571 1 170 . 1 . 1 94 94 ALA CA C 13 55.526 0.000 . 1 . . . . . 94 ALA CA . 53571 1 171 . 1 . 1 94 94 ALA N N 15 122.210 0.000 . 1 . . . . . 94 ALA N . 53571 1 172 . 1 . 1 95 95 ASN H H 1 8.199 0.000 . 1 . . . . . 95 ASN H . 53571 1 173 . 1 . 1 95 95 ASN C C 13 178.617 0.102 . 1 . . . . . 95 ASN C . 53571 1 174 . 1 . 1 95 95 ASN CA C 13 56.094 0.134 . 1 . . . . . 95 ASN CA . 53571 1 175 . 1 . 1 95 95 ASN CB C 13 38.193 0.029 . 1 . . . . . 95 ASN CB . 53571 1 176 . 1 . 1 95 95 ASN N N 15 117.081 0.171 . 1 . . . . . 95 ASN N . 53571 1 177 . 1 . 1 96 96 LEU C C 13 179.478 0.111 . 1 . . . . . 96 LEU C . 53571 1 178 . 1 . 1 96 96 LEU CA C 13 58.287 0.059 . 1 . . . . . 96 LEU CA . 53571 1 179 . 1 . 1 96 96 LEU CB C 13 40.427 0.114 . 1 . . . . . 96 LEU CB . 53571 1 180 . 1 . 1 96 96 LEU CG C 13 27.418 0.038 . 1 . . . . . 96 LEU CG . 53571 1 181 . 1 . 1 96 96 LEU CD1 C 13 25.345 0.197 . 2 . . . . . 96 LEU CD1 . 53571 1 182 . 1 . 1 96 96 LEU CD2 C 13 23.008 0.083 . 2 . . . . . 96 LEU CD2 . 53571 1 183 . 1 . 1 96 96 LEU N N 15 125.399 0.130 . 1 . . . . . 96 LEU N . 53571 1 184 . 1 . 1 98 98 LYS C C 13 179.812 0.088 . 1 . . . . . 98 LYS C . 53571 1 185 . 1 . 1 98 98 LYS CA C 13 60.095 0.061 . 1 . . . . . 98 LYS CA . 53571 1 186 . 1 . 1 98 98 LYS CB C 13 32.459 0.133 . 1 . . . . . 98 LYS CB . 53571 1 187 . 1 . 1 98 98 LYS CG C 13 25.598 0.075 . 1 . . . . . 98 LYS CG . 53571 1 188 . 1 . 1 98 98 LYS N N 15 116.737 0.416 . 1 . . . . . 98 LYS N . 53571 1 189 . 1 . 1 99 99 SER H H 1 8.121 0.000 . 1 . . . . . 99 SER H . 53571 1 190 . 1 . 1 99 99 SER C C 13 177.002 0.000 . 1 . . . . . 99 SER C . 53571 1 191 . 1 . 1 99 99 SER CA C 13 61.847 0.035 . 1 . . . . . 99 SER CA . 53571 1 192 . 1 . 1 99 99 SER CB C 13 63.131 0.127 . 1 . . . . . 99 SER CB . 53571 1 193 . 1 . 1 99 99 SER N N 15 115.788 0.160 . 1 . . . . . 99 SER N . 53571 1 194 . 1 . 1 116 116 ILE H H 1 8.158 0.000 . 1 . . . . . 116 ILE H . 53571 1 195 . 1 . 1 116 116 ILE CA C 13 60.140 0.000 . 1 . . . . . 116 ILE CA . 53571 1 196 . 1 . 1 116 116 ILE CG1 C 13 27.961 0.042 . 1 . . . . . 116 ILE CG1 . 53571 1 197 . 1 . 1 116 116 ILE CD1 C 13 13.727 0.000 . 1 . . . . . 116 ILE CD1 . 53571 1 198 . 1 . 1 116 116 ILE N N 15 123.602 0.111 . 1 . . . . . 116 ILE N . 53571 1 199 . 1 . 1 117 117 TYR H H 1 9.561 0.020 . 1 . . . . . 117 TYR H . 53571 1 200 . 1 . 1 117 117 TYR C C 13 173.182 0.036 . 1 . . . . . 117 TYR C . 53571 1 201 . 1 . 1 117 117 TYR CA C 13 57.207 0.070 . 1 . . . . . 117 TYR CA . 53571 1 202 . 1 . 1 117 117 TYR CB C 13 40.386 0.026 . 1 . . . . . 117 TYR CB . 53571 1 203 . 1 . 1 117 117 TYR CG C 13 132.805 0.103 . 1 . . . . . 117 TYR CG . 53571 1 204 . 1 . 1 117 117 TYR N N 15 128.013 0.387 . 1 . . . . . 117 TYR N . 53571 1 205 . 1 . 1 118 118 GLU CA C 13 55.529 0.082 . 1 . . . . . 118 GLU CA . 53571 1 206 . 1 . 1 118 118 GLU N N 15 122.571 0.155 . 1 . . . . . 118 GLU N . 53571 1 207 . 1 . 1 119 119 GLY C C 13 173.861 0.015 . 1 . . . . . 119 GLY C . 53571 1 208 . 1 . 1 119 119 GLY CA C 13 46.152 0.026 . 1 . . . . . 119 GLY CA . 53571 1 209 . 1 . 1 119 119 GLY N N 15 119.321 0.220 . 1 . . . . . 119 GLY N . 53571 1 210 . 1 . 1 120 120 LYS C C 13 175.701 0.069 . 1 . . . . . 120 LYS C . 53571 1 211 . 1 . 1 120 120 LYS CA C 13 56.119 0.083 . 1 . . . . . 120 LYS CA . 53571 1 212 . 1 . 1 120 120 LYS CB C 13 34.198 0.076 . 1 . . . . . 120 LYS CB . 53571 1 213 . 1 . 1 120 120 LYS N N 15 124.558 0.200 . 1 . . . . . 120 LYS N . 53571 1 214 . 1 . 1 121 121 LEU H H 1 8.449 0.000 . 1 . . . . . 121 LEU H . 53571 1 215 . 1 . 1 121 121 LEU C C 13 174.754 0.099 . 1 . . . . . 121 LEU C . 53571 1 216 . 1 . 1 121 121 LEU CA C 13 53.097 0.070 . 1 . . . . . 121 LEU CA . 53571 1 217 . 1 . 1 121 121 LEU CB C 13 40.469 0.071 . 1 . . . . . 121 LEU CB . 53571 1 218 . 1 . 1 121 121 LEU CG C 13 26.717 0.140 . 1 . . . . . 121 LEU CG . 53571 1 219 . 1 . 1 121 121 LEU CD1 C 13 23.190 0.014 . 2 . . . . . 121 LEU CD1 . 53571 1 220 . 1 . 1 121 121 LEU CD2 C 13 26.662 0.000 . 2 . . . . . 121 LEU CD2 . 53571 1 221 . 1 . 1 121 121 LEU N N 15 117.656 0.172 . 1 . . . . . 121 LEU N . 53571 1 222 . 1 . 1 122 122 THR H H 1 6.735 0.001 . 1 . . . . . 122 THR H . 53571 1 223 . 1 . 1 122 122 THR C C 13 174.681 0.133 . 1 . . . . . 122 THR C . 53571 1 224 . 1 . 1 122 122 THR CA C 13 58.865 0.087 . 1 . . . . . 122 THR CA . 53571 1 225 . 1 . 1 122 122 THR CB C 13 68.761 0.019 . 1 . . . . . 122 THR CB . 53571 1 226 . 1 . 1 122 122 THR CG2 C 13 21.312 0.012 . 1 . . . . . 122 THR CG2 . 53571 1 227 . 1 . 1 122 122 THR N N 15 106.219 0.062 . 1 . . . . . 122 THR N . 53571 1 228 . 1 . 1 123 123 ALA H H 1 8.528 0.039 . 1 . . . . . 123 ALA H . 53571 1 229 . 1 . 1 123 123 ALA C C 13 176.035 0.133 . 1 . . . . . 123 ALA C . 53571 1 230 . 1 . 1 123 123 ALA CA C 13 50.834 0.059 . 1 . . . . . 123 ALA CA . 53571 1 231 . 1 . 1 123 123 ALA CB C 13 19.869 0.052 . 1 . . . . . 123 ALA CB . 53571 1 232 . 1 . 1 123 123 ALA N N 15 125.458 0.053 . 1 . . . . . 123 ALA N . 53571 1 233 . 1 . 1 124 124 GLU H H 1 8.310 0.014 . 1 . . . . . 124 GLU H . 53571 1 234 . 1 . 1 124 124 GLU C C 13 177.967 0.025 . 1 . . . . . 124 GLU C . 53571 1 235 . 1 . 1 124 124 GLU CA C 13 59.101 0.182 . 1 . . . . . 124 GLU CA . 53571 1 236 . 1 . 1 124 124 GLU CB C 13 29.277 0.159 . 1 . . . . . 124 GLU CB . 53571 1 237 . 1 . 1 124 124 GLU CG C 13 36.192 0.053 . 1 . . . . . 124 GLU CG . 53571 1 238 . 1 . 1 124 124 GLU CD C 13 183.845 0.025 . 1 . . . . . 124 GLU CD . 53571 1 239 . 1 . 1 124 124 GLU N N 15 120.978 0.193 . 1 . . . . . 124 GLU N . 53571 1 240 . 1 . 1 125 125 GLY H H 1 9.201 0.029 . 1 . . . . . 125 GLY H . 53571 1 241 . 1 . 1 125 125 GLY C C 13 174.349 0.035 . 1 . . . . . 125 GLY C . 53571 1 242 . 1 . 1 125 125 GLY CA C 13 45.369 0.072 . 1 . . . . . 125 GLY CA . 53571 1 243 . 1 . 1 125 125 GLY N N 15 116.085 0.128 . 1 . . . . . 125 GLY N . 53571 1 244 . 1 . 1 126 126 LEU H H 1 7.856 0.000 . 1 . . . . . 126 LEU H . 53571 1 245 . 1 . 1 126 126 LEU C C 13 175.909 0.051 . 1 . . . . . 126 LEU C . 53571 1 246 . 1 . 1 126 126 LEU CA C 13 54.112 0.028 . 1 . . . . . 126 LEU CA . 53571 1 247 . 1 . 1 126 126 LEU CB C 13 44.451 0.040 . 1 . . . . . 126 LEU CB . 53571 1 248 . 1 . 1 126 126 LEU CG C 13 26.972 0.035 . 1 . . . . . 126 LEU CG . 53571 1 249 . 1 . 1 126 126 LEU CD1 C 13 22.897 0.049 . 1 . . . . . 126 LEU CD1 . 53571 1 250 . 1 . 1 126 126 LEU N N 15 120.757 0.043 . 1 . . . . . 126 LEU N . 53571 1 251 . 1 . 1 127 127 ARG H H 1 9.272 0.000 . 1 . . . . . 127 ARG H . 53571 1 252 . 1 . 1 127 127 ARG C C 13 176.559 0.059 . 1 . . . . . 127 ARG C . 53571 1 253 . 1 . 1 127 127 ARG CA C 13 54.926 0.059 . 1 . . . . . 127 ARG CA . 53571 1 254 . 1 . 1 127 127 ARG CB C 13 31.140 0.077 . 1 . . . . . 127 ARG CB . 53571 1 255 . 1 . 1 127 127 ARG CG C 13 26.869 0.096 . 1 . . . . . 127 ARG CG . 53571 1 256 . 1 . 1 127 127 ARG CD C 13 42.596 0.041 . 1 . . . . . 127 ARG CD . 53571 1 257 . 1 . 1 127 127 ARG CZ C 13 159.459 0.030 . 1 . . . . . 127 ARG CZ . 53571 1 258 . 1 . 1 127 127 ARG N N 15 120.928 0.090 . 1 . . . . . 127 ARG N . 53571 1 259 . 1 . 1 128 128 PHE H H 1 8.609 0.000 . 1 . . . . . 128 PHE H . 53571 1 260 . 1 . 1 128 128 PHE C C 13 174.777 0.071 . 1 . . . . . 128 PHE C . 53571 1 261 . 1 . 1 128 128 PHE CA C 13 56.925 0.036 . 1 . . . . . 128 PHE CA . 53571 1 262 . 1 . 1 128 128 PHE CB C 13 44.135 0.132 . 1 . . . . . 128 PHE CB . 53571 1 263 . 1 . 1 128 128 PHE CG C 13 138.927 0.037 . 1 . . . . . 128 PHE CG . 53571 1 264 . 1 . 1 128 128 PHE CD1 C 13 131.671 0.526 . 1 . . . . . 128 PHE CD1 . 53571 1 265 . 1 . 1 128 128 PHE CD2 C 13 131.671 0.526 . 1 . . . . . 128 PHE CD2 . 53571 1 266 . 1 . 1 128 128 PHE N N 15 119.676 0.251 . 1 . . . . . 128 PHE N . 53571 1 267 . 1 . 1 129 129 GLY H H 1 9.148 0.014 . 1 . . . . . 129 GLY H . 53571 1 268 . 1 . 1 129 129 GLY C C 13 170.993 0.040 . 1 . . . . . 129 GLY C . 53571 1 269 . 1 . 1 129 129 GLY CA C 13 44.470 0.077 . 1 . . . . . 129 GLY CA . 53571 1 270 . 1 . 1 129 129 GLY N N 15 109.186 0.111 . 1 . . . . . 129 GLY N . 53571 1 271 . 1 . 1 130 130 ILE H H 1 9.538 0.002 . 1 . . . . . 130 ILE H . 53571 1 272 . 1 . 1 130 130 ILE C C 13 174.459 0.076 . 1 . . . . . 130 ILE C . 53571 1 273 . 1 . 1 130 130 ILE CA C 13 59.179 0.061 . 1 . . . . . 130 ILE CA . 53571 1 274 . 1 . 1 130 130 ILE CB C 13 40.587 0.040 . 1 . . . . . 130 ILE CB . 53571 1 275 . 1 . 1 130 130 ILE CG1 C 13 27.320 0.050 . 1 . . . . . 130 ILE CG1 . 53571 1 276 . 1 . 1 130 130 ILE CG2 C 13 17.328 0.037 . 1 . . . . . 130 ILE CG2 . 53571 1 277 . 1 . 1 130 130 ILE CD1 C 13 14.344 0.021 . 1 . . . . . 130 ILE CD1 . 53571 1 278 . 1 . 1 130 130 ILE N N 15 126.090 0.051 . 1 . . . . . 130 ILE N . 53571 1 279 . 1 . 1 131 131 VAL H H 1 9.052 0.040 . 1 . . . . . 131 VAL H . 53571 1 280 . 1 . 1 131 131 VAL C C 13 173.627 0.033 . 1 . . . . . 131 VAL C . 53571 1 281 . 1 . 1 131 131 VAL CA C 13 59.858 0.077 . 1 . . . . . 131 VAL CA . 53571 1 282 . 1 . 1 131 131 VAL CB C 13 33.276 0.067 . 1 . . . . . 131 VAL CB . 53571 1 283 . 1 . 1 131 131 VAL CG1 C 13 21.187 0.038 . 2 . . . . . 131 VAL CG1 . 53571 1 284 . 1 . 1 131 131 VAL CG2 C 13 22.942 0.004 . 2 . . . . . 131 VAL CG2 . 53571 1 285 . 1 . 1 131 131 VAL N N 15 126.261 0.159 . 1 . . . . . 131 VAL N . 53571 1 286 . 1 . 1 132 132 ALA H H 1 9.076 0.000 . 1 . . . . . 132 ALA H . 53571 1 287 . 1 . 1 132 132 ALA C C 13 176.188 0.084 . 1 . . . . . 132 ALA C . 53571 1 288 . 1 . 1 132 132 ALA CA C 13 49.920 0.060 . 1 . . . . . 132 ALA CA . 53571 1 289 . 1 . 1 132 132 ALA CB C 13 22.805 0.018 . 1 . . . . . 132 ALA CB . 53571 1 290 . 1 . 1 132 132 ALA N N 15 128.147 0.142 . 1 . . . . . 132 ALA N . 53571 1 291 . 1 . 1 133 133 SER CA C 13 55.996 0.073 . 1 . . . . . 133 SER CA . 53571 1 292 . 1 . 1 133 133 SER CB C 13 63.025 0.034 . 1 . . . . . 133 SER CB . 53571 1 293 . 1 . 1 133 133 SER N N 15 115.534 0.171 . 1 . . . . . 133 SER N . 53571 1 294 . 1 . 1 141 141 ASP C C 13 178.990 0.000 . 1 . . . . . 141 ASP C . 53571 1 295 . 1 . 1 141 141 ASP CA C 13 57.494 0.057 . 1 . . . . . 141 ASP CA . 53571 1 296 . 1 . 1 141 141 ASP CB C 13 39.715 0.027 . 1 . . . . . 141 ASP CB . 53571 1 297 . 1 . 1 141 141 ASP N N 15 120.645 0.036 . 1 . . . . . 141 ASP N . 53571 1 298 . 1 . 1 142 142 ARG H H 1 7.394 0.000 . 1 . . . . . 142 ARG H . 53571 1 299 . 1 . 1 142 142 ARG C C 13 180.152 0.085 . 1 . . . . . 142 ARG C . 53571 1 300 . 1 . 1 142 142 ARG CA C 13 57.961 0.184 . 1 . . . . . 142 ARG CA . 53571 1 301 . 1 . 1 142 142 ARG CB C 13 30.658 0.103 . 1 . . . . . 142 ARG CB . 53571 1 302 . 1 . 1 142 142 ARG N N 15 116.368 0.287 . 1 . . . . . 142 ARG N . 53571 1 303 . 1 . 1 143 143 LEU C C 13 178.191 0.088 . 1 . . . . . 143 LEU C . 53571 1 304 . 1 . 1 143 143 LEU CA C 13 59.067 0.114 . 1 . . . . . 143 LEU CA . 53571 1 305 . 1 . 1 143 143 LEU CB C 13 39.076 0.130 . 1 . . . . . 143 LEU CB . 53571 1 306 . 1 . 1 143 143 LEU CG C 13 27.247 0.113 . 1 . . . . . 143 LEU CG . 53571 1 307 . 1 . 1 143 143 LEU CD1 C 13 25.198 0.035 . 1 . . . . . 143 LEU CD1 . 53571 1 308 . 1 . 1 143 143 LEU N N 15 122.067 0.172 . 1 . . . . . 143 LEU N . 53571 1 309 . 1 . 1 144 144 VAL H H 1 7.681 0.019 . 1 . . . . . 144 VAL H . 53571 1 310 . 1 . 1 144 144 VAL C C 13 177.387 0.039 . 1 . . . . . 144 VAL C . 53571 1 311 . 1 . 1 144 144 VAL CA C 13 67.335 0.040 . 1 . . . . . 144 VAL CA . 53571 1 312 . 1 . 1 144 144 VAL CB C 13 31.812 0.069 . 1 . . . . . 144 VAL CB . 53571 1 313 . 1 . 1 144 144 VAL CG1 C 13 23.968 0.071 . 2 . . . . . 144 VAL CG1 . 53571 1 314 . 1 . 1 144 144 VAL CG2 C 13 22.306 0.085 . 2 . . . . . 144 VAL CG2 . 53571 1 315 . 1 . 1 144 144 VAL N N 15 118.578 0.168 . 1 . . . . . 144 VAL N . 53571 1 316 . 1 . 1 145 145 GLU H H 1 8.269 0.000 . 1 . . . . . 145 GLU H . 53571 1 317 . 1 . 1 145 145 GLU C C 13 179.299 0.089 . 1 . . . . . 145 GLU C . 53571 1 318 . 1 . 1 145 145 GLU CA C 13 59.559 0.115 . 1 . . . . . 145 GLU CA . 53571 1 319 . 1 . 1 145 145 GLU CB C 13 29.618 0.053 . 1 . . . . . 145 GLU CB . 53571 1 320 . 1 . 1 145 145 GLU CG C 13 36.465 0.139 . 1 . . . . . 145 GLU CG . 53571 1 321 . 1 . 1 145 145 GLU CD C 13 183.516 0.118 . 1 . . . . . 145 GLU CD . 53571 1 322 . 1 . 1 145 145 GLU N N 15 117.419 0.202 . 1 . . . . . 145 GLU N . 53571 1 323 . 1 . 1 146 146 GLY H H 1 7.972 0.020 . 1 . . . . . 146 GLY H . 53571 1 324 . 1 . 1 146 146 GLY C C 13 175.166 0.097 . 1 . . . . . 146 GLY C . 53571 1 325 . 1 . 1 146 146 GLY CA C 13 47.110 0.051 . 1 . . . . . 146 GLY CA . 53571 1 326 . 1 . 1 146 146 GLY N N 15 107.053 0.315 . 1 . . . . . 146 GLY N . 53571 1 327 . 1 . 1 147 147 ALA C C 13 179.081 0.034 . 1 . . . . . 147 ALA C . 53571 1 328 . 1 . 1 147 147 ALA CA C 13 54.837 0.080 . 1 . . . . . 147 ALA CA . 53571 1 329 . 1 . 1 147 147 ALA CB C 13 18.066 0.104 . 1 . . . . . 147 ALA CB . 53571 1 330 . 1 . 1 147 147 ALA N N 15 123.407 0.100 . 1 . . . . . 147 ALA N . 53571 1 331 . 1 . 1 148 148 ILE H H 1 8.479 0.003 . 1 . . . . . 148 ILE H . 53571 1 332 . 1 . 1 148 148 ILE C C 13 177.146 0.056 . 1 . . . . . 148 ILE C . 53571 1 333 . 1 . 1 148 148 ILE CA C 13 66.367 0.067 . 1 . . . . . 148 ILE CA . 53571 1 334 . 1 . 1 148 148 ILE CB C 13 38.389 0.043 . 1 . . . . . 148 ILE CB . 53571 1 335 . 1 . 1 148 148 ILE CG1 C 13 29.966 0.033 . 1 . . . . . 148 ILE CG1 . 53571 1 336 . 1 . 1 148 148 ILE CG2 C 13 16.842 0.105 . 1 . . . . . 148 ILE CG2 . 53571 1 337 . 1 . 1 148 148 ILE CD1 C 13 14.848 0.046 . 1 . . . . . 148 ILE CD1 . 53571 1 338 . 1 . 1 148 148 ILE N N 15 117.962 0.153 . 1 . . . . . 148 ILE N . 53571 1 339 . 1 . 1 149 149 ASP H H 1 8.291 0.000 . 1 . . . . . 149 ASP H . 53571 1 340 . 1 . 1 149 149 ASP C C 13 177.257 0.071 . 1 . . . . . 149 ASP C . 53571 1 341 . 1 . 1 149 149 ASP CA C 13 57.180 0.109 . 1 . . . . . 149 ASP CA . 53571 1 342 . 1 . 1 149 149 ASP CB C 13 41.314 0.093 . 1 . . . . . 149 ASP CB . 53571 1 343 . 1 . 1 149 149 ASP CG C 13 178.785 0.051 . 1 . . . . . 149 ASP CG . 53571 1 344 . 1 . 1 149 149 ASP N N 15 118.045 0.121 . 1 . . . . . 149 ASP N . 53571 1 345 . 1 . 1 150 150 CYS H H 1 7.966 0.000 . 1 . . . . . 150 CYS H . 53571 1 346 . 1 . 1 150 150 CYS C C 13 178.809 0.063 . 1 . . . . . 150 CYS C . 53571 1 347 . 1 . 1 150 150 CYS CA C 13 61.810 0.109 . 1 . . . . . 150 CYS CA . 53571 1 348 . 1 . 1 150 150 CYS CB C 13 27.005 0.061 . 1 . . . . . 150 CYS CB . 53571 1 349 . 1 . 1 150 150 CYS N N 15 117.330 0.492 . 1 . . . . . 150 CYS N . 53571 1 350 . 1 . 1 151 151 ILE H H 1 8.121 0.030 . 1 . . . . . 151 ILE H . 53571 1 351 . 1 . 1 151 151 ILE C C 13 178.534 0.100 . 1 . . . . . 151 ILE C . 53571 1 352 . 1 . 1 151 151 ILE CA C 13 66.763 0.087 . 1 . . . . . 151 ILE CA . 53571 1 353 . 1 . 1 151 151 ILE CB C 13 38.193 0.122 . 1 . . . . . 151 ILE CB . 53571 1 354 . 1 . 1 151 151 ILE CG1 C 13 29.297 0.117 . 1 . . . . . 151 ILE CG1 . 53571 1 355 . 1 . 1 151 151 ILE CG2 C 13 19.378 0.161 . 1 . . . . . 151 ILE CG2 . 53571 1 356 . 1 . 1 151 151 ILE CD1 C 13 13.282 0.043 . 1 . . . . . 151 ILE CD1 . 53571 1 357 . 1 . 1 151 151 ILE N N 15 121.494 0.243 . 1 . . . . . 151 ILE N . 53571 1 358 . 1 . 1 152 152 VAL H H 1 8.574 0.006 . 1 . . . . . 152 VAL H . 53571 1 359 . 1 . 1 152 152 VAL C C 13 181.903 0.048 . 1 . . . . . 152 VAL C . 53571 1 360 . 1 . 1 152 152 VAL CA C 13 65.535 0.074 . 1 . . . . . 152 VAL CA . 53571 1 361 . 1 . 1 152 152 VAL CB C 13 31.651 0.053 . 1 . . . . . 152 VAL CB . 53571 1 362 . 1 . 1 152 152 VAL CG1 C 13 21.004 0.040 . 2 . . . . . 152 VAL CG1 . 53571 1 363 . 1 . 1 152 152 VAL CG2 C 13 21.363 0.053 . 2 . . . . . 152 VAL CG2 . 53571 1 364 . 1 . 1 152 152 VAL N N 15 120.086 0.312 . 1 . . . . . 152 VAL N . 53571 1 365 . 1 . 1 153 153 ARG H H 1 9.124 0.011 . 1 . . . . . 153 ARG H . 53571 1 366 . 1 . 1 153 153 ARG C C 13 176.826 0.042 . 1 . . . . . 153 ARG C . 53571 1 367 . 1 . 1 153 153 ARG CA C 13 60.086 0.226 . 1 . . . . . 153 ARG CA . 53571 1 368 . 1 . 1 153 153 ARG CB C 13 28.317 0.000 . 1 . . . . . 153 ARG CB . 53571 1 369 . 1 . 1 153 153 ARG N N 15 120.464 0.135 . 1 . . . . . 153 ARG N . 53571 1 370 . 1 . 1 154 154 HIS H H 1 7.495 0.012 . 1 . . . . . 154 HIS H . 53571 1 371 . 1 . 1 154 154 HIS C C 13 174.356 0.026 . 1 . . . . . 154 HIS C . 53571 1 372 . 1 . 1 154 154 HIS CA C 13 58.105 0.077 . 1 . . . . . 154 HIS CA . 53571 1 373 . 1 . 1 154 154 HIS CB C 13 27.216 0.041 . 1 . . . . . 154 HIS CB . 53571 1 374 . 1 . 1 154 154 HIS CG C 13 131.911 0.045 . 1 . . . . . 154 HIS CG . 53571 1 375 . 1 . 1 154 154 HIS CD2 C 13 123.784 0.057 . 1 . . . . . 154 HIS CD2 . 53571 1 376 . 1 . 1 154 154 HIS N N 15 113.618 0.084 . 1 . . . . . 154 HIS N . 53571 1 377 . 1 . 1 155 155 GLY H H 1 8.034 0.002 . 1 . . . . . 155 GLY H . 53571 1 378 . 1 . 1 155 155 GLY C C 13 174.630 0.053 . 1 . . . . . 155 GLY C . 53571 1 379 . 1 . 1 155 155 GLY CA C 13 45.591 0.038 . 1 . . . . . 155 GLY CA . 53571 1 380 . 1 . 1 155 155 GLY N N 15 108.064 0.021 . 1 . . . . . 155 GLY N . 53571 1 381 . 1 . 1 156 156 GLY H H 1 8.627 0.006 . 1 . . . . . 156 GLY H . 53571 1 382 . 1 . 1 156 156 GLY C C 13 171.992 0.061 . 1 . . . . . 156 GLY C . 53571 1 383 . 1 . 1 156 156 GLY CA C 13 44.433 0.075 . 1 . . . . . 156 GLY CA . 53571 1 384 . 1 . 1 156 156 GLY N N 15 109.769 0.294 . 1 . . . . . 156 GLY N . 53571 1 385 . 1 . 1 157 157 ARG C C 13 178.823 0.144 . 1 . . . . . 157 ARG C . 53571 1 386 . 1 . 1 157 157 ARG CA C 13 54.879 0.084 . 1 . . . . . 157 ARG CA . 53571 1 387 . 1 . 1 157 157 ARG CB C 13 31.764 0.064 . 1 . . . . . 157 ARG CB . 53571 1 388 . 1 . 1 157 157 ARG CG C 13 27.101 0.079 . 1 . . . . . 157 ARG CG . 53571 1 389 . 1 . 1 157 157 ARG CD C 13 43.646 0.041 . 1 . . . . . 157 ARG CD . 53571 1 390 . 1 . 1 157 157 ARG CZ C 13 159.493 0.008 . 1 . . . . . 157 ARG CZ . 53571 1 391 . 1 . 1 157 157 ARG N N 15 117.963 0.257 . 1 . . . . . 157 ARG N . 53571 1 392 . 1 . 1 158 158 GLY H H 1 9.179 0.005 . 1 . . . . . 158 GLY H . 53571 1 393 . 1 . 1 158 158 GLY C C 13 174.772 0.153 . 1 . . . . . 158 GLY C . 53571 1 394 . 1 . 1 158 158 GLY CA C 13 47.566 0.044 . 1 . . . . . 158 GLY CA . 53571 1 395 . 1 . 1 158 158 GLY N N 15 112.987 0.253 . 1 . . . . . 158 GLY N . 53571 1 396 . 1 . 1 159 159 GLU H H 1 9.235 0.006 . 1 . . . . . 159 GLU H . 53571 1 397 . 1 . 1 159 159 GLU C C 13 176.360 0.129 . 1 . . . . . 159 GLU C . 53571 1 398 . 1 . 1 159 159 GLU CA C 13 58.582 0.060 . 1 . . . . . 159 GLU CA . 53571 1 399 . 1 . 1 159 159 GLU CB C 13 28.797 0.032 . 1 . . . . . 159 GLU CB . 53571 1 400 . 1 . 1 159 159 GLU CG C 13 36.603 0.049 . 1 . . . . . 159 GLU CG . 53571 1 401 . 1 . 1 159 159 GLU CD C 13 184.371 0.052 . 1 . . . . . 159 GLU CD . 53571 1 402 . 1 . 1 159 159 GLU N N 15 115.959 0.076 . 1 . . . . . 159 GLU N . 53571 1 403 . 1 . 1 160 160 ASP H H 1 7.670 0.000 . 1 . . . . . 160 ASP H . 53571 1 404 . 1 . 1 160 160 ASP C C 13 174.699 0.021 . 1 . . . . . 160 ASP C . 53571 1 405 . 1 . 1 160 160 ASP CA C 13 54.119 0.051 . 1 . . . . . 160 ASP CA . 53571 1 406 . 1 . 1 160 160 ASP CB C 13 42.197 0.020 . 1 . . . . . 160 ASP CB . 53571 1 407 . 1 . 1 160 160 ASP CG C 13 180.611 0.078 . 1 . . . . . 160 ASP CG . 53571 1 408 . 1 . 1 160 160 ASP N N 15 118.390 0.137 . 1 . . . . . 160 ASP N . 53571 1 409 . 1 . 1 161 161 ILE H H 1 7.987 0.024 . 1 . . . . . 161 ILE H . 53571 1 410 . 1 . 1 161 161 ILE C C 13 174.322 0.055 . 1 . . . . . 161 ILE C . 53571 1 411 . 1 . 1 161 161 ILE CA C 13 61.326 0.051 . 1 . . . . . 161 ILE CA . 53571 1 412 . 1 . 1 161 161 ILE CB C 13 39.639 0.094 . 1 . . . . . 161 ILE CB . 53571 1 413 . 1 . 1 161 161 ILE CG1 C 13 27.471 0.056 . 1 . . . . . 161 ILE CG1 . 53571 1 414 . 1 . 1 161 161 ILE CG2 C 13 17.259 0.022 . 1 . . . . . 161 ILE CG2 . 53571 1 415 . 1 . 1 161 161 ILE CD1 C 13 15.137 0.016 . 1 . . . . . 161 ILE CD1 . 53571 1 416 . 1 . 1 161 161 ILE N N 15 122.712 0.140 . 1 . . . . . 161 ILE N . 53571 1 417 . 1 . 1 162 162 THR H H 1 8.845 0.001 . 1 . . . . . 162 THR H . 53571 1 418 . 1 . 1 162 162 THR C C 13 172.079 0.084 . 1 . . . . . 162 THR C . 53571 1 419 . 1 . 1 162 162 THR CA C 13 62.015 0.083 . 1 . . . . . 162 THR CA . 53571 1 420 . 1 . 1 162 162 THR CB C 13 71.001 0.079 . 1 . . . . . 162 THR CB . 53571 1 421 . 1 . 1 162 162 THR CG2 C 13 22.108 0.028 . 1 . . . . . 162 THR CG2 . 53571 1 422 . 1 . 1 162 162 THR N N 15 124.042 0.108 . 1 . . . . . 162 THR N . 53571 1 423 . 1 . 1 163 163 LEU H H 1 9.346 0.005 . 1 . . . . . 163 LEU H . 53571 1 424 . 1 . 1 163 163 LEU C C 13 173.576 0.051 . 1 . . . . . 163 LEU C . 53571 1 425 . 1 . 1 163 163 LEU CA C 13 53.176 0.049 . 1 . . . . . 163 LEU CA . 53571 1 426 . 1 . 1 163 163 LEU CB C 13 45.242 0.134 . 1 . . . . . 163 LEU CB . 53571 1 427 . 1 . 1 163 163 LEU CG C 13 28.051 0.109 . 1 . . . . . 163 LEU CG . 53571 1 428 . 1 . 1 163 163 LEU CD1 C 13 26.580 0.148 . 2 . . . . . 163 LEU CD1 . 53571 1 429 . 1 . 1 163 163 LEU CD2 C 13 24.294 0.017 . 2 . . . . . 163 LEU CD2 . 53571 1 430 . 1 . 1 163 163 LEU N N 15 130.028 0.082 . 1 . . . . . 163 LEU N . 53571 1 431 . 1 . 1 164 164 VAL H H 1 9.662 0.006 . 1 . . . . . 164 VAL H . 53571 1 432 . 1 . 1 164 164 VAL C C 13 174.793 0.104 . 1 . . . . . 164 VAL C . 53571 1 433 . 1 . 1 164 164 VAL CA C 13 60.340 0.107 . 1 . . . . . 164 VAL CA . 53571 1 434 . 1 . 1 164 164 VAL CB C 13 34.370 0.092 . 1 . . . . . 164 VAL CB . 53571 1 435 . 1 . 1 164 164 VAL CG1 C 13 23.236 0.051 . 2 . . . . . 164 VAL CG1 . 53571 1 436 . 1 . 1 164 164 VAL CG2 C 13 22.486 0.158 . 2 . . . . . 164 VAL CG2 . 53571 1 437 . 1 . 1 164 164 VAL N N 15 126.947 0.255 . 1 . . . . . 164 VAL N . 53571 1 438 . 1 . 1 165 165 ARG C C 13 174.924 0.039 . 1 . . . . . 165 ARG C . 53571 1 439 . 1 . 1 165 165 ARG CA C 13 54.264 0.069 . 1 . . . . . 165 ARG CA . 53571 1 440 . 1 . 1 165 165 ARG CB C 13 32.682 0.114 . 1 . . . . . 165 ARG CB . 53571 1 441 . 1 . 1 165 165 ARG N N 15 124.951 0.319 . 1 . . . . . 165 ARG N . 53571 1 442 . 1 . 1 166 166 VAL H H 1 7.964 0.006 . 1 . . . . . 166 VAL H . 53571 1 443 . 1 . 1 166 166 VAL C C 13 174.493 0.070 . 1 . . . . . 166 VAL C . 53571 1 444 . 1 . 1 166 166 VAL CA C 13 57.347 0.077 . 1 . . . . . 166 VAL CA . 53571 1 445 . 1 . 1 166 166 VAL CB C 13 31.622 3.583 . 1 . . . . . 166 VAL CB . 53571 1 446 . 1 . 1 166 166 VAL CG1 C 13 22.495 0.086 . 2 . . . . . 166 VAL CG1 . 53571 1 447 . 1 . 1 166 166 VAL CG2 C 13 18.237 0.058 . 2 . . . . . 166 VAL CG2 . 53571 1 448 . 1 . 1 166 166 VAL N N 15 111.316 0.295 . 1 . . . . . 166 VAL N . 53571 1 449 . 1 . 1 167 167 PRO CA C 13 65.593 0.165 . 1 . . . . . 167 PRO CA . 53571 1 450 . 1 . 1 167 167 PRO CD C 13 51.678 0.000 . 1 . . . . . 167 PRO CD . 53571 1 451 . 1 . 1 167 167 PRO N N 15 133.178 0.089 . 1 . . . . . 167 PRO N . 53571 1 452 . 1 . 1 172 172 ILE C C 13 173.070 0.149 . 1 . . . . . 172 ILE C . 53571 1 453 . 1 . 1 172 172 ILE CA C 13 66.818 0.041 . 1 . . . . . 172 ILE CA . 53571 1 454 . 1 . 1 172 172 ILE CB C 13 35.008 0.039 . 1 . . . . . 172 ILE CB . 53571 1 455 . 1 . 1 172 172 ILE CG2 C 13 17.781 0.006 . 1 . . . . . 172 ILE CG2 . 53571 1 456 . 1 . 1 172 172 ILE CD1 C 13 14.849 0.000 . 1 . . . . . 172 ILE CD1 . 53571 1 457 . 1 . 1 172 172 ILE N N 15 119.469 0.164 . 1 . . . . . 172 ILE N . 53571 1 458 . 1 . 1 173 173 PRO C C 13 175.981 0.015 . 1 . . . . . 173 PRO C . 53571 1 459 . 1 . 1 173 173 PRO CA C 13 63.607 0.115 . 1 . . . . . 173 PRO CA . 53571 1 460 . 1 . 1 173 173 PRO CB C 13 31.370 0.098 . 1 . . . . . 173 PRO CB . 53571 1 461 . 1 . 1 173 173 PRO CG C 13 28.218 0.058 . 1 . . . . . 173 PRO CG . 53571 1 462 . 1 . 1 173 173 PRO CD C 13 51.034 0.000 . 1 . . . . . 173 PRO CD . 53571 1 463 . 1 . 1 173 173 PRO N N 15 138.832 0.154 . 1 . . . . . 173 PRO N . 53571 1 464 . 1 . 1 174 174 VAL H H 1 7.901 0.000 . 1 . . . . . 174 VAL H . 53571 1 465 . 1 . 1 174 174 VAL CA C 13 60.929 0.080 . 1 . . . . . 174 VAL CA . 53571 1 466 . 1 . 1 174 174 VAL CG2 C 13 19.879 0.006 . 1 . . . . . 174 VAL CG2 . 53571 1 467 . 1 . 1 174 174 VAL N N 15 126.425 0.345 . 1 . . . . . 174 VAL N . 53571 1 468 . 1 . 1 175 175 ALA H H 1 7.953 0.000 . 1 . . . . . 175 ALA H . 53571 1 469 . 1 . 1 175 175 ALA N N 15 120.766 0.000 . 1 . . . . . 175 ALA N . 53571 1 470 . 1 . 1 176 176 ALA C C 13 177.825 0.039 . 1 . . . . . 176 ALA C . 53571 1 471 . 1 . 1 176 176 ALA CA C 13 55.050 0.051 . 1 . . . . . 176 ALA CA . 53571 1 472 . 1 . 1 176 176 ALA CB C 13 18.026 0.037 . 1 . . . . . 176 ALA CB . 53571 1 473 . 1 . 1 176 176 ALA N N 15 117.245 0.146 . 1 . . . . . 176 ALA N . 53571 1 474 . 1 . 1 177 177 ASP H H 1 7.602 0.000 . 1 . . . . . 177 ASP H . 53571 1 475 . 1 . 1 177 177 ASP C C 13 179.598 0.000 . 1 . . . . . 177 ASP C . 53571 1 476 . 1 . 1 177 177 ASP CA C 13 57.973 0.215 . 1 . . . . . 177 ASP CA . 53571 1 477 . 1 . 1 177 177 ASP CB C 13 42.652 0.187 . 1 . . . . . 177 ASP CB . 53571 1 478 . 1 . 1 177 177 ASP N N 15 118.114 0.259 . 1 . . . . . 177 ASP N . 53571 1 479 . 1 . 1 178 178 GLU C C 13 179.512 0.130 . 1 . . . . . 178 GLU C . 53571 1 480 . 1 . 1 178 178 GLU CA C 13 59.059 0.053 . 1 . . . . . 178 GLU CA . 53571 1 481 . 1 . 1 178 178 GLU CB C 13 29.613 0.033 . 1 . . . . . 178 GLU CB . 53571 1 482 . 1 . 1 178 178 GLU CG C 13 35.196 0.076 . 1 . . . . . 178 GLU CG . 53571 1 483 . 1 . 1 178 178 GLU CD C 13 182.952 0.010 . 1 . . . . . 178 GLU CD . 53571 1 484 . 1 . 1 178 178 GLU N N 15 119.497 0.226 . 1 . . . . . 178 GLU N . 53571 1 485 . 1 . 1 179 179 LEU H H 1 7.874 0.000 . 1 . . . . . 179 LEU H . 53571 1 486 . 1 . 1 179 179 LEU CA C 13 57.218 0.046 . 1 . . . . . 179 LEU CA . 53571 1 487 . 1 . 1 179 179 LEU CB C 13 43.551 0.000 . 1 . . . . . 179 LEU CB . 53571 1 488 . 1 . 1 179 179 LEU CG C 13 26.415 0.000 . 1 . . . . . 179 LEU CG . 53571 1 489 . 1 . 1 179 179 LEU N N 15 116.254 0.156 . 1 . . . . . 179 LEU N . 53571 1 490 . 1 . 1 180 180 ALA H H 1 8.736 0.024 . 1 . . . . . 180 ALA H . 53571 1 491 . 1 . 1 180 180 ALA CA C 13 54.566 0.065 . 1 . . . . . 180 ALA CA . 53571 1 492 . 1 . 1 180 180 ALA CB C 13 18.879 0.000 . 1 . . . . . 180 ALA CB . 53571 1 493 . 1 . 1 180 180 ALA N N 15 117.090 0.154 . 1 . . . . . 180 ALA N . 53571 1 494 . 1 . 1 181 181 ARG H H 1 7.327 0.000 . 1 . . . . . 181 ARG H . 53571 1 495 . 1 . 1 181 181 ARG C C 13 177.226 0.028 . 1 . . . . . 181 ARG C . 53571 1 496 . 1 . 1 181 181 ARG CA C 13 57.268 0.129 . 1 . . . . . 181 ARG CA . 53571 1 497 . 1 . 1 181 181 ARG CB C 13 30.159 0.083 . 1 . . . . . 181 ARG CB . 53571 1 498 . 1 . 1 181 181 ARG CD C 13 42.561 0.057 . 1 . . . . . 181 ARG CD . 53571 1 499 . 1 . 1 181 181 ARG CZ C 13 159.476 0.023 . 1 . . . . . 181 ARG CZ . 53571 1 500 . 1 . 1 181 181 ARG N N 15 113.160 0.186 . 1 . . . . . 181 ARG N . 53571 1 501 . 1 . 1 182 182 LYS H H 1 7.391 0.021 . 1 . . . . . 182 LYS H . 53571 1 502 . 1 . 1 182 182 LYS C C 13 177.720 0.022 . 1 . . . . . 182 LYS C . 53571 1 503 . 1 . 1 182 182 LYS CA C 13 57.166 0.043 . 1 . . . . . 182 LYS CA . 53571 1 504 . 1 . 1 182 182 LYS CB C 13 31.757 0.042 . 1 . . . . . 182 LYS CB . 53571 1 505 . 1 . 1 182 182 LYS CG C 13 25.034 0.059 . 1 . . . . . 182 LYS CG . 53571 1 506 . 1 . 1 182 182 LYS CD C 13 29.081 0.149 . 1 . . . . . 182 LYS CD . 53571 1 507 . 1 . 1 182 182 LYS N N 15 121.967 0.129 . 1 . . . . . 182 LYS N . 53571 1 508 . 1 . 1 183 183 GLU H H 1 8.764 0.005 . 1 . . . . . 183 GLU H . 53571 1 509 . 1 . 1 183 183 GLU C C 13 177.097 0.060 . 1 . . . . . 183 GLU C . 53571 1 510 . 1 . 1 183 183 GLU CA C 13 57.887 0.110 . 1 . . . . . 183 GLU CA . 53571 1 511 . 1 . 1 183 183 GLU CB C 13 29.495 0.048 . 1 . . . . . 183 GLU CB . 53571 1 512 . 1 . 1 183 183 GLU N N 15 122.221 0.082 . 1 . . . . . 183 GLU N . 53571 1 513 . 1 . 1 184 184 ASP H H 1 8.329 0.006 . 1 . . . . . 184 ASP H . 53571 1 514 . 1 . 1 184 184 ASP C C 13 173.760 0.110 . 1 . . . . . 184 ASP C . 53571 1 515 . 1 . 1 184 184 ASP CA C 13 52.248 0.099 . 1 . . . . . 184 ASP CA . 53571 1 516 . 1 . 1 184 184 ASP CB C 13 39.170 0.018 . 1 . . . . . 184 ASP CB . 53571 1 517 . 1 . 1 184 184 ASP CG C 13 180.803 0.119 . 1 . . . . . 184 ASP CG . 53571 1 518 . 1 . 1 184 184 ASP N N 15 114.266 0.120 . 1 . . . . . 184 ASP N . 53571 1 519 . 1 . 1 185 185 ILE H H 1 6.810 0.003 . 1 . . . . . 185 ILE H . 53571 1 520 . 1 . 1 185 185 ILE C C 13 174.969 0.113 . 1 . . . . . 185 ILE C . 53571 1 521 . 1 . 1 185 185 ILE CA C 13 58.234 0.128 . 1 . . . . . 185 ILE CA . 53571 1 522 . 1 . 1 185 185 ILE CB C 13 37.284 0.047 . 1 . . . . . 185 ILE CB . 53571 1 523 . 1 . 1 185 185 ILE CG1 C 13 25.994 0.050 . 1 . . . . . 185 ILE CG1 . 53571 1 524 . 1 . 1 185 185 ILE CG2 C 13 18.056 0.050 . 1 . . . . . 185 ILE CG2 . 53571 1 525 . 1 . 1 185 185 ILE CD1 C 13 9.400 0.007 . 1 . . . . . 185 ILE CD1 . 53571 1 526 . 1 . 1 185 185 ILE N N 15 118.380 0.069 . 1 . . . . . 185 ILE N . 53571 1 527 . 1 . 1 186 186 ASP H H 1 8.672 0.000 . 1 . . . . . 186 ASP H . 53571 1 528 . 1 . 1 186 186 ASP C C 13 175.234 0.037 . 1 . . . . . 186 ASP C . 53571 1 529 . 1 . 1 186 186 ASP CA C 13 55.720 0.084 . 1 . . . . . 186 ASP CA . 53571 1 530 . 1 . 1 186 186 ASP CB C 13 43.064 0.020 . 1 . . . . . 186 ASP CB . 53571 1 531 . 1 . 1 186 186 ASP CG C 13 179.631 0.039 . 1 . . . . . 186 ASP CG . 53571 1 532 . 1 . 1 186 186 ASP N N 15 123.992 0.093 . 1 . . . . . 186 ASP N . 53571 1 533 . 1 . 1 187 187 ALA H H 1 7.290 0.001 . 1 . . . . . 187 ALA H . 53571 1 534 . 1 . 1 187 187 ALA C C 13 174.658 0.069 . 1 . . . . . 187 ALA C . 53571 1 535 . 1 . 1 187 187 ALA CA C 13 51.734 0.030 . 1 . . . . . 187 ALA CA . 53571 1 536 . 1 . 1 187 187 ALA CB C 13 22.235 0.126 . 1 . . . . . 187 ALA CB . 53571 1 537 . 1 . 1 187 187 ALA N N 15 116.886 0.102 . 1 . . . . . 187 ALA N . 53571 1 538 . 1 . 1 188 188 VAL H H 1 8.712 0.020 . 1 . . . . . 188 VAL H . 53571 1 539 . 1 . 1 188 188 VAL C C 13 173.550 0.036 . 1 . . . . . 188 VAL C . 53571 1 540 . 1 . 1 188 188 VAL CA C 13 60.301 0.064 . 1 . . . . . 188 VAL CA . 53571 1 541 . 1 . 1 188 188 VAL CB C 13 34.935 0.115 . 1 . . . . . 188 VAL CB . 53571 1 542 . 1 . 1 188 188 VAL CG1 C 13 22.434 0.043 . 2 . . . . . 188 VAL CG1 . 53571 1 543 . 1 . 1 188 188 VAL CG2 C 13 20.781 0.049 . 2 . . . . . 188 VAL CG2 . 53571 1 544 . 1 . 1 188 188 VAL N N 15 120.567 0.049 . 1 . . . . . 188 VAL N . 53571 1 545 . 1 . 1 189 189 ILE H H 1 8.957 0.000 . 1 . . . . . 189 ILE H . 53571 1 546 . 1 . 1 189 189 ILE C C 13 173.403 0.059 . 1 . . . . . 189 ILE C . 53571 1 547 . 1 . 1 189 189 ILE CA C 13 59.433 0.100 . 1 . . . . . 189 ILE CA . 53571 1 548 . 1 . 1 189 189 ILE CB C 13 41.360 0.063 . 1 . . . . . 189 ILE CB . 53571 1 549 . 1 . 1 189 189 ILE CG1 C 13 26.940 0.075 . 1 . . . . . 189 ILE CG1 . 53571 1 550 . 1 . 1 189 189 ILE CG2 C 13 18.626 0.039 . 1 . . . . . 189 ILE CG2 . 53571 1 551 . 1 . 1 189 189 ILE CD1 C 13 14.452 0.122 . 1 . . . . . 189 ILE CD1 . 53571 1 552 . 1 . 1 189 189 ILE N N 15 128.252 0.356 . 1 . . . . . 189 ILE N . 53571 1 553 . 1 . 1 190 190 ALA H H 1 8.289 0.009 . 1 . . . . . 190 ALA H . 53571 1 554 . 1 . 1 190 190 ALA C C 13 176.429 0.045 . 1 . . . . . 190 ALA C . 53571 1 555 . 1 . 1 190 190 ALA CA C 13 49.182 0.036 . 1 . . . . . 190 ALA CA . 53571 1 556 . 1 . 1 190 190 ALA CB C 13 22.323 0.008 . 1 . . . . . 190 ALA CB . 53571 1 557 . 1 . 1 190 190 ALA N N 15 126.711 0.197 . 1 . . . . . 190 ALA N . 53571 1 558 . 1 . 1 191 191 PHE H H 1 8.692 0.000 . 1 . . . . . 191 PHE H . 53571 1 559 . 1 . 1 191 191 PHE C C 13 174.773 0.006 . 1 . . . . . 191 PHE C . 53571 1 560 . 1 . 1 191 191 PHE CA C 13 55.158 0.096 . 1 . . . . . 191 PHE CA . 53571 1 561 . 1 . 1 191 191 PHE CB C 13 42.609 0.000 . 1 . . . . . 191 PHE CB . 53571 1 562 . 1 . 1 191 191 PHE CG C 13 138.806 0.009 . 1 . . . . . 191 PHE CG . 53571 1 563 . 1 . 1 191 191 PHE N N 15 120.646 0.133 . 1 . . . . . 191 PHE N . 53571 1 stop_ save_