data_50558 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50558 _Entry.Title ; 1H, 13C and 15N Backbone Chemical Shift Assignments of the N-terminal and Central Intrinsically Disordered Domains of SARS-CoV-2 Nucleoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-10 _Entry.Accession_date 2020-11-10 _Entry.Last_release_date 2020-11-10 _Entry.Original_release_date 2020-11-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 'Assignment of the backbone resonances of the disordered domains of SARS-CoV-2 Nucleoprotein (residues 1-44 and 176-263).' _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 Serafima Guseva . . . . 50558 2 Laura Marino . . . . 50558 3 Aldo Camacho-Zarco . . . . 50558 4 Luiza Mamigonian-Bessa . . . . 50558 5 Nicola Salvi . . . . 50558 6 Anas Malki . . . . 50558 7 Damien Maurin . . . . 50558 8 Martin Blackledge . . . . 50558 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50558 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 250 50558 '15N chemical shifts' 94 50558 '1H chemical shifts' 94 50558 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-12-07 2020-11-10 update BMRB 'update entry citation' 50558 1 . . 2021-04-07 2020-11-10 original author 'original release' 50558 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50557 'Assignment of SARS-CoV-3 nucleoprotein 175-263' 50558 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50558 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33730325 _Citation.DOI 10.1007/s12104-021-10014-x _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N Backbone Chemical Shift Assignments of the N-terminal and Central Intrinsically Disordered Domains of SARS-CoV-2 Nucleoprotein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 255 _Citation.Page_last 260 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Serafima Guseva . . . . 50558 1 2 Laura 'Marino Perez' . . . . 50558 1 3 Aldo Camacho-Zarco . . . . 50558 1 4 Luiza Mamigonian-Bessa . . . . 50558 1 5 Nicola Salvi . . . . 50558 1 6 Anas Malki . . . . 50558 1 7 Damien Maurin . . . . 50558 1 8 Martin Blackledge . . . . 50558 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50558 _Assembly.ID 1 _Assembly.Name 'SARS-CoV-2 Nucleoprotein (1-263)' _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 'SARS-CoV-2 N123 Nucleoprotein' 1 $entity_1 . . yes native no no . . . 50558 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50558 _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 ; MSDNGPQNQRNAPRITFGGP SDSTGSNQNGERSGARSKQR RPQGLPNNTASWFTALTQHG KEDLKFPRGQGVPINTNSSP DDQIGYYRRATRRIRGGDGK MKDLSPRWYFYYLGTGPEAG LPYGANKDGIIWVATEGALN TPKDHIGTRNPANNAAIVLQ LPQGTTLPKGFYAEGSRGGS QASSRSSSRSRNSSRNSTPG SSRGTSPARMAGNGGDAALA LLLLDRLNQLESKMSGKGQQ QQGQTVTKKSAAEASKKPRQ KRT ; _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 263 _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 . 50558 1 2 . SER . 50558 1 3 . ASP . 50558 1 4 . ASN . 50558 1 5 . GLY . 50558 1 6 . PRO . 50558 1 7 . GLN . 50558 1 8 . ASN . 50558 1 9 . GLN . 50558 1 10 . ARG . 50558 1 11 . ASN . 50558 1 12 . ALA . 50558 1 13 . PRO . 50558 1 14 . ARG . 50558 1 15 . ILE . 50558 1 16 . THR . 50558 1 17 . PHE . 50558 1 18 . GLY . 50558 1 19 . GLY . 50558 1 20 . PRO . 50558 1 21 . SER . 50558 1 22 . ASP . 50558 1 23 . SER . 50558 1 24 . THR . 50558 1 25 . GLY . 50558 1 26 . SER . 50558 1 27 . ASN . 50558 1 28 . GLN . 50558 1 29 . ASN . 50558 1 30 . GLY . 50558 1 31 . GLU . 50558 1 32 . ARG . 50558 1 33 . SER . 50558 1 34 . GLY . 50558 1 35 . ALA . 50558 1 36 . ARG . 50558 1 37 . SER . 50558 1 38 . LYS . 50558 1 39 . GLN . 50558 1 40 . ARG . 50558 1 41 . ARG . 50558 1 42 . PRO . 50558 1 43 . GLN . 50558 1 44 . GLY . 50558 1 45 . LEU . 50558 1 46 . PRO . 50558 1 47 . ASN . 50558 1 48 . ASN . 50558 1 49 . THR . 50558 1 50 . ALA . 50558 1 51 . SER . 50558 1 52 . TRP . 50558 1 53 . PHE . 50558 1 54 . THR . 50558 1 55 . ALA . 50558 1 56 . LEU . 50558 1 57 . THR . 50558 1 58 . GLN . 50558 1 59 . HIS . 50558 1 60 . GLY . 50558 1 61 . LYS . 50558 1 62 . GLU . 50558 1 63 . ASP . 50558 1 64 . LEU . 50558 1 65 . LYS . 50558 1 66 . PHE . 50558 1 67 . PRO . 50558 1 68 . ARG . 50558 1 69 . GLY . 50558 1 70 . GLN . 50558 1 71 . GLY . 50558 1 72 . VAL . 50558 1 73 . PRO . 50558 1 74 . ILE . 50558 1 75 . ASN . 50558 1 76 . THR . 50558 1 77 . ASN . 50558 1 78 . SER . 50558 1 79 . SER . 50558 1 80 . PRO . 50558 1 81 . ASP . 50558 1 82 . ASP . 50558 1 83 . GLN . 50558 1 84 . ILE . 50558 1 85 . GLY . 50558 1 86 . TYR . 50558 1 87 . TYR . 50558 1 88 . ARG . 50558 1 89 . ARG . 50558 1 90 . ALA . 50558 1 91 . THR . 50558 1 92 . ARG . 50558 1 93 . ARG . 50558 1 94 . ILE . 50558 1 95 . ARG . 50558 1 96 . GLY . 50558 1 97 . GLY . 50558 1 98 . ASP . 50558 1 99 . GLY . 50558 1 100 . LYS . 50558 1 101 . MET . 50558 1 102 . LYS . 50558 1 103 . ASP . 50558 1 104 . LEU . 50558 1 105 . SER . 50558 1 106 . PRO . 50558 1 107 . ARG . 50558 1 108 . TRP . 50558 1 109 . TYR . 50558 1 110 . PHE . 50558 1 111 . TYR . 50558 1 112 . TYR . 50558 1 113 . LEU . 50558 1 114 . GLY . 50558 1 115 . THR . 50558 1 116 . GLY . 50558 1 117 . PRO . 50558 1 118 . GLU . 50558 1 119 . ALA . 50558 1 120 . GLY . 50558 1 121 . LEU . 50558 1 122 . PRO . 50558 1 123 . TYR . 50558 1 124 . GLY . 50558 1 125 . ALA . 50558 1 126 . ASN . 50558 1 127 . LYS . 50558 1 128 . ASP . 50558 1 129 . GLY . 50558 1 130 . ILE . 50558 1 131 . ILE . 50558 1 132 . TRP . 50558 1 133 . VAL . 50558 1 134 . ALA . 50558 1 135 . THR . 50558 1 136 . GLU . 50558 1 137 . GLY . 50558 1 138 . ALA . 50558 1 139 . LEU . 50558 1 140 . ASN . 50558 1 141 . THR . 50558 1 142 . PRO . 50558 1 143 . LYS . 50558 1 144 . ASP . 50558 1 145 . HIS . 50558 1 146 . ILE . 50558 1 147 . GLY . 50558 1 148 . THR . 50558 1 149 . ARG . 50558 1 150 . ASN . 50558 1 151 . PRO . 50558 1 152 . ALA . 50558 1 153 . ASN . 50558 1 154 . ASN . 50558 1 155 . ALA . 50558 1 156 . ALA . 50558 1 157 . ILE . 50558 1 158 . VAL . 50558 1 159 . LEU . 50558 1 160 . GLN . 50558 1 161 . LEU . 50558 1 162 . PRO . 50558 1 163 . GLN . 50558 1 164 . GLY . 50558 1 165 . THR . 50558 1 166 . THR . 50558 1 167 . LEU . 50558 1 168 . PRO . 50558 1 169 . LYS . 50558 1 170 . GLY . 50558 1 171 . PHE . 50558 1 172 . TYR . 50558 1 173 . ALA . 50558 1 174 . GLU . 50558 1 175 . GLY . 50558 1 176 . SER . 50558 1 177 . ARG . 50558 1 178 . GLY . 50558 1 179 . GLY . 50558 1 180 . SER . 50558 1 181 . GLN . 50558 1 182 . ALA . 50558 1 183 . SER . 50558 1 184 . SER . 50558 1 185 . ARG . 50558 1 186 . SER . 50558 1 187 . SER . 50558 1 188 . SER . 50558 1 189 . ARG . 50558 1 190 . SER . 50558 1 191 . ARG . 50558 1 192 . ASN . 50558 1 193 . SER . 50558 1 194 . SER . 50558 1 195 . ARG . 50558 1 196 . ASN . 50558 1 197 . SER . 50558 1 198 . THR . 50558 1 199 . PRO . 50558 1 200 . GLY . 50558 1 201 . SER . 50558 1 202 . SER . 50558 1 203 . ARG . 50558 1 204 . GLY . 50558 1 205 . THR . 50558 1 206 . SER . 50558 1 207 . PRO . 50558 1 208 . ALA . 50558 1 209 . ARG . 50558 1 210 . MET . 50558 1 211 . ALA . 50558 1 212 . GLY . 50558 1 213 . ASN . 50558 1 214 . GLY . 50558 1 215 . GLY . 50558 1 216 . ASP . 50558 1 217 . ALA . 50558 1 218 . ALA . 50558 1 219 . LEU . 50558 1 220 . ALA . 50558 1 221 . LEU . 50558 1 222 . LEU . 50558 1 223 . LEU . 50558 1 224 . LEU . 50558 1 225 . ASP . 50558 1 226 . ARG . 50558 1 227 . LEU . 50558 1 228 . ASN . 50558 1 229 . GLN . 50558 1 230 . LEU . 50558 1 231 . GLU . 50558 1 232 . SER . 50558 1 233 . LYS . 50558 1 234 . MET . 50558 1 235 . SER . 50558 1 236 . GLY . 50558 1 237 . LYS . 50558 1 238 . GLY . 50558 1 239 . GLN . 50558 1 240 . GLN . 50558 1 241 . GLN . 50558 1 242 . GLN . 50558 1 243 . GLY . 50558 1 244 . GLN . 50558 1 245 . THR . 50558 1 246 . VAL . 50558 1 247 . THR . 50558 1 248 . LYS . 50558 1 249 . LYS . 50558 1 250 . SER . 50558 1 251 . ALA . 50558 1 252 . ALA . 50558 1 253 . GLU . 50558 1 254 . ALA . 50558 1 255 . SER . 50558 1 256 . LYS . 50558 1 257 . LYS . 50558 1 258 . PRO . 50558 1 259 . ARG . 50558 1 260 . GLN . 50558 1 261 . LYS . 50558 1 262 . ARG . 50558 1 263 . THR . 50558 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 50558 1 . SER 2 2 50558 1 . ASP 3 3 50558 1 . ASN 4 4 50558 1 . GLY 5 5 50558 1 . PRO 6 6 50558 1 . GLN 7 7 50558 1 . ASN 8 8 50558 1 . GLN 9 9 50558 1 . ARG 10 10 50558 1 . ASN 11 11 50558 1 . ALA 12 12 50558 1 . PRO 13 13 50558 1 . ARG 14 14 50558 1 . ILE 15 15 50558 1 . THR 16 16 50558 1 . PHE 17 17 50558 1 . GLY 18 18 50558 1 . GLY 19 19 50558 1 . PRO 20 20 50558 1 . SER 21 21 50558 1 . ASP 22 22 50558 1 . SER 23 23 50558 1 . THR 24 24 50558 1 . GLY 25 25 50558 1 . SER 26 26 50558 1 . ASN 27 27 50558 1 . GLN 28 28 50558 1 . ASN 29 29 50558 1 . GLY 30 30 50558 1 . GLU 31 31 50558 1 . ARG 32 32 50558 1 . SER 33 33 50558 1 . GLY 34 34 50558 1 . ALA 35 35 50558 1 . ARG 36 36 50558 1 . SER 37 37 50558 1 . LYS 38 38 50558 1 . GLN 39 39 50558 1 . ARG 40 40 50558 1 . ARG 41 41 50558 1 . PRO 42 42 50558 1 . GLN 43 43 50558 1 . GLY 44 44 50558 1 . LEU 45 45 50558 1 . PRO 46 46 50558 1 . ASN 47 47 50558 1 . ASN 48 48 50558 1 . THR 49 49 50558 1 . ALA 50 50 50558 1 . SER 51 51 50558 1 . TRP 52 52 50558 1 . PHE 53 53 50558 1 . THR 54 54 50558 1 . ALA 55 55 50558 1 . LEU 56 56 50558 1 . THR 57 57 50558 1 . GLN 58 58 50558 1 . HIS 59 59 50558 1 . GLY 60 60 50558 1 . LYS 61 61 50558 1 . GLU 62 62 50558 1 . ASP 63 63 50558 1 . LEU 64 64 50558 1 . LYS 65 65 50558 1 . PHE 66 66 50558 1 . PRO 67 67 50558 1 . ARG 68 68 50558 1 . GLY 69 69 50558 1 . GLN 70 70 50558 1 . GLY 71 71 50558 1 . VAL 72 72 50558 1 . PRO 73 73 50558 1 . ILE 74 74 50558 1 . ASN 75 75 50558 1 . THR 76 76 50558 1 . ASN 77 77 50558 1 . SER 78 78 50558 1 . SER 79 79 50558 1 . PRO 80 80 50558 1 . ASP 81 81 50558 1 . ASP 82 82 50558 1 . GLN 83 83 50558 1 . ILE 84 84 50558 1 . GLY 85 85 50558 1 . TYR 86 86 50558 1 . TYR 87 87 50558 1 . ARG 88 88 50558 1 . ARG 89 89 50558 1 . ALA 90 90 50558 1 . THR 91 91 50558 1 . ARG 92 92 50558 1 . ARG 93 93 50558 1 . ILE 94 94 50558 1 . ARG 95 95 50558 1 . GLY 96 96 50558 1 . GLY 97 97 50558 1 . ASP 98 98 50558 1 . GLY 99 99 50558 1 . LYS 100 100 50558 1 . MET 101 101 50558 1 . LYS 102 102 50558 1 . ASP 103 103 50558 1 . LEU 104 104 50558 1 . SER 105 105 50558 1 . PRO 106 106 50558 1 . ARG 107 107 50558 1 . TRP 108 108 50558 1 . TYR 109 109 50558 1 . PHE 110 110 50558 1 . TYR 111 111 50558 1 . TYR 112 112 50558 1 . LEU 113 113 50558 1 . GLY 114 114 50558 1 . THR 115 115 50558 1 . GLY 116 116 50558 1 . PRO 117 117 50558 1 . GLU 118 118 50558 1 . ALA 119 119 50558 1 . GLY 120 120 50558 1 . LEU 121 121 50558 1 . PRO 122 122 50558 1 . TYR 123 123 50558 1 . GLY 124 124 50558 1 . ALA 125 125 50558 1 . ASN 126 126 50558 1 . LYS 127 127 50558 1 . ASP 128 128 50558 1 . GLY 129 129 50558 1 . ILE 130 130 50558 1 . ILE 131 131 50558 1 . TRP 132 132 50558 1 . VAL 133 133 50558 1 . ALA 134 134 50558 1 . THR 135 135 50558 1 . GLU 136 136 50558 1 . GLY 137 137 50558 1 . ALA 138 138 50558 1 . LEU 139 139 50558 1 . ASN 140 140 50558 1 . THR 141 141 50558 1 . PRO 142 142 50558 1 . LYS 143 143 50558 1 . ASP 144 144 50558 1 . HIS 145 145 50558 1 . ILE 146 146 50558 1 . GLY 147 147 50558 1 . THR 148 148 50558 1 . ARG 149 149 50558 1 . ASN 150 150 50558 1 . PRO 151 151 50558 1 . ALA 152 152 50558 1 . ASN 153 153 50558 1 . ASN 154 154 50558 1 . ALA 155 155 50558 1 . ALA 156 156 50558 1 . ILE 157 157 50558 1 . VAL 158 158 50558 1 . LEU 159 159 50558 1 . GLN 160 160 50558 1 . LEU 161 161 50558 1 . PRO 162 162 50558 1 . GLN 163 163 50558 1 . GLY 164 164 50558 1 . THR 165 165 50558 1 . THR 166 166 50558 1 . LEU 167 167 50558 1 . PRO 168 168 50558 1 . LYS 169 169 50558 1 . GLY 170 170 50558 1 . PHE 171 171 50558 1 . TYR 172 172 50558 1 . ALA 173 173 50558 1 . GLU 174 174 50558 1 . GLY 175 175 50558 1 . SER 176 176 50558 1 . ARG 177 177 50558 1 . GLY 178 178 50558 1 . GLY 179 179 50558 1 . SER 180 180 50558 1 . GLN 181 181 50558 1 . ALA 182 182 50558 1 . SER 183 183 50558 1 . SER 184 184 50558 1 . ARG 185 185 50558 1 . SER 186 186 50558 1 . SER 187 187 50558 1 . SER 188 188 50558 1 . ARG 189 189 50558 1 . SER 190 190 50558 1 . ARG 191 191 50558 1 . ASN 192 192 50558 1 . SER 193 193 50558 1 . SER 194 194 50558 1 . ARG 195 195 50558 1 . ASN 196 196 50558 1 . SER 197 197 50558 1 . THR 198 198 50558 1 . PRO 199 199 50558 1 . GLY 200 200 50558 1 . SER 201 201 50558 1 . SER 202 202 50558 1 . ARG 203 203 50558 1 . GLY 204 204 50558 1 . THR 205 205 50558 1 . SER 206 206 50558 1 . PRO 207 207 50558 1 . ALA 208 208 50558 1 . ARG 209 209 50558 1 . MET 210 210 50558 1 . ALA 211 211 50558 1 . GLY 212 212 50558 1 . ASN 213 213 50558 1 . GLY 214 214 50558 1 . GLY 215 215 50558 1 . ASP 216 216 50558 1 . ALA 217 217 50558 1 . ALA 218 218 50558 1 . LEU 219 219 50558 1 . ALA 220 220 50558 1 . LEU 221 221 50558 1 . LEU 222 222 50558 1 . LEU 223 223 50558 1 . LEU 224 224 50558 1 . ASP 225 225 50558 1 . ARG 226 226 50558 1 . LEU 227 227 50558 1 . ASN 228 228 50558 1 . GLN 229 229 50558 1 . LEU 230 230 50558 1 . GLU 231 231 50558 1 . SER 232 232 50558 1 . LYS 233 233 50558 1 . MET 234 234 50558 1 . SER 235 235 50558 1 . GLY 236 236 50558 1 . LYS 237 237 50558 1 . GLY 238 238 50558 1 . GLN 239 239 50558 1 . GLN 240 240 50558 1 . GLN 241 241 50558 1 . GLN 242 242 50558 1 . GLY 243 243 50558 1 . GLN 244 244 50558 1 . THR 245 245 50558 1 . VAL 246 246 50558 1 . THR 247 247 50558 1 . LYS 248 248 50558 1 . LYS 249 249 50558 1 . SER 250 250 50558 1 . ALA 251 251 50558 1 . ALA 252 252 50558 1 . GLU 253 253 50558 1 . ALA 254 254 50558 1 . SER 255 255 50558 1 . LYS 256 256 50558 1 . LYS 257 257 50558 1 . PRO 258 258 50558 1 . ARG 259 259 50558 1 . GLN 260 260 50558 1 . LYS 261 261 50558 1 . ARG 262 262 50558 1 . THR 263 263 50558 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 50558 _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 . 2697049 organism . SARS-CoV-2 SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 50558 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 50558 _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 BL21(DE3) . . plasmid . . pESPRIT . . . 50558 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50558 _Sample.ID 1 _Sample.Name 'SARS-CoV-2 Nucleoprotein (1-263)' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50mM Na-Phosphate (pH 6.5) 250mM NaCl 2mM DTT ; _Sample.Aggregate_sample_number 1 _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 'SARS-CoV-2 Nucleoprotein' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 50558 1 2 Na-Phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 50558 1 3 NaCl 'natural abundance' . . . . . . 250 . . mM . . . . 50558 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50558 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 50558 _Sample_condition_list.ID 1 _Sample_condition_list.Name '25oC pH 6.5' _Sample_condition_list.Details ; 50mM Na-phosphate pH 6.5 250mM NaCl 2mM DTT ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 50558 1 pressure 1 . atm 50558 1 temperature 298 . K 50558 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50558 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50558 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50558 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50558 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50558 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50558 3 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 50558 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '850 MHz Bruker Avance III HD Liquid' _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 50558 _Experiment_list.ID 1 _Experiment_list.Details ; 5 3D HNCA: Intraresidue; 6 3D HNCACB: Selective for CB; Intraresidue. ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50558 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50558 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50558 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50558 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50558 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50558 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 50558 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 external indirect 0.251449 . . . . . 50558 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50558 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329 . . . . . 50558 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 50558 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name N123_chemicalshift _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 1H-15N TROSY' . . . 50558 1 2 '3D HNCO' . . . 50558 1 3 '3D HN(CA)CO' . . . 50558 1 4 '3D HN(CO)CA' . . . 50558 1 5 '3D HNCA' . . . 50558 1 6 '3D HNCACB' . . . 50558 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 3 $software_3 . . 50558 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.547 0.002 . 1 . . . . . 1 MET H . 50558 1 2 . 1 . 1 1 1 MET C C 13 176.405 0.011 . 1 . . . . . 1 MET C . 50558 1 3 . 1 . 1 1 1 MET CA C 13 55.808 0.029 . 1 . . . . . 1 MET CA . 50558 1 4 . 1 . 1 1 1 MET N N 15 123.4 0.006 . 1 . . . . . 1 MET N . 50558 1 5 . 1 . 1 2 2 SER H H 1 8.256 0.001 . 1 . . . . . 2 SER H . 50558 1 6 . 1 . 1 2 2 SER C C 13 174.263 0.013 . 1 . . . . . 2 SER C . 50558 1 7 . 1 . 1 2 2 SER CA C 13 58.375 0.004 . 1 . . . . . 2 SER CA . 50558 1 8 . 1 . 1 2 2 SER N N 15 116.795 0.007 . 1 . . . . . 2 SER N . 50558 1 9 . 1 . 1 3 3 ASP H H 1 8.277 0.001 . 1 . . . . . 3 ASP H . 50558 1 10 . 1 . 1 3 3 ASP C C 13 175.888 0.016 . 1 . . . . . 3 ASP C . 50558 1 11 . 1 . 1 3 3 ASP CA C 13 54.458 0.002 . 1 . . . . . 3 ASP CA . 50558 1 12 . 1 . 1 3 3 ASP CB C 13 41.247 0.000 . 1 . . . . . 3 ASP CB . 50558 1 13 . 1 . 1 3 3 ASP N N 15 122.908 0.002 . 1 . . . . . 3 ASP N . 50558 1 14 . 1 . 1 4 4 ASN H H 1 8.309 0.001 . 1 . . . . . 4 ASN H . 50558 1 15 . 1 . 1 4 4 ASN C C 13 175.445 0.009 . 1 . . . . . 4 ASN C . 50558 1 16 . 1 . 1 4 4 ASN CA C 13 53.205 0.015 . 1 . . . . . 4 ASN CA . 50558 1 17 . 1 . 1 4 4 ASN CB C 13 39.139 0.000 . 1 . . . . . 4 ASN CB . 50558 1 18 . 1 . 1 4 4 ASN N N 15 119.593 0.004 . 1 . . . . . 4 ASN N . 50558 1 19 . 1 . 1 5 5 GLY H H 1 8.209 0.002 . 1 . . . . . 5 GLY H . 50558 1 20 . 1 . 1 5 5 GLY C C 13 172.13 0.000 . 1 . . . . . 5 GLY C . 50558 1 21 . 1 . 1 5 5 GLY CA C 13 44.992 0.000 . 1 . . . . . 5 GLY CA . 50558 1 22 . 1 . 1 5 5 GLY N N 15 109.765 0.010 . 1 . . . . . 5 GLY N . 50558 1 23 . 1 . 1 6 6 PRO C C 13 177.586 0.007 . 1 . . . . . 6 PRO C . 50558 1 24 . 1 . 1 6 6 PRO CA C 13 63.524 0.000 . 1 . . . . . 6 PRO CA . 50558 1 25 . 1 . 1 7 7 GLN H H 1 8.557 0.002 . 1 . . . . . 7 GLN H . 50558 1 26 . 1 . 1 7 7 GLN C C 13 176.064 0.001 . 1 . . . . . 7 GLN C . 50558 1 27 . 1 . 1 7 7 GLN CA C 13 56.179 0.001 . 1 . . . . . 7 GLN CA . 50558 1 28 . 1 . 1 7 7 GLN CB C 13 29.15 0.000 . 1 . . . . . 7 GLN CB . 50558 1 29 . 1 . 1 7 7 GLN N N 15 120.702 0.012 . 1 . . . . . 7 GLN N . 50558 1 30 . 1 . 1 8 8 ASN H H 1 8.315 0.001 . 1 . . . . . 8 ASN H . 50558 1 31 . 1 . 1 8 8 ASN C C 13 175.286 0.008 . 1 . . . . . 8 ASN C . 50558 1 32 . 1 . 1 8 8 ASN CA C 13 53.448 0.014 . 1 . . . . . 8 ASN CA . 50558 1 33 . 1 . 1 8 8 ASN CB C 13 39.139 0.000 . 1 . . . . . 8 ASN CB . 50558 1 34 . 1 . 1 8 8 ASN N N 15 119.583 0.032 . 1 . . . . . 8 ASN N . 50558 1 35 . 1 . 1 9 9 GLN H H 1 8.263 0.002 . 1 . . . . . 9 GLN H . 50558 1 36 . 1 . 1 9 9 GLN C C 13 176.092 0.006 . 1 . . . . . 9 GLN C . 50558 1 37 . 1 . 1 9 9 GLN CA C 13 56.192 0.031 . 1 . . . . . 9 GLN CA . 50558 1 38 . 1 . 1 9 9 GLN CB C 13 29.817 0.000 . 1 . . . . . 9 GLN CB . 50558 1 39 . 1 . 1 9 9 GLN N N 15 120.934 0.012 . 1 . . . . . 9 GLN N . 50558 1 40 . 1 . 1 10 10 ARG H H 1 8.288 0.003 . 1 . . . . . 10 ARG H . 50558 1 41 . 1 . 1 10 10 ARG C C 13 176.148 0.010 . 1 . . . . . 10 ARG C . 50558 1 42 . 1 . 1 10 10 ARG CA C 13 56.582 0.040 . 1 . . . . . 10 ARG CA . 50558 1 43 . 1 . 1 10 10 ARG CB C 13 30.661 0.000 . 1 . . . . . 10 ARG CB . 50558 1 44 . 1 . 1 10 10 ARG N N 15 122.19 0.041 . 1 . . . . . 10 ARG N . 50558 1 45 . 1 . 1 11 11 ASN H H 1 8.35 0.002 . 1 . . . . . 11 ASN H . 50558 1 46 . 1 . 1 11 11 ASN C C 13 174.393 0.005 . 1 . . . . . 11 ASN C . 50558 1 47 . 1 . 1 11 11 ASN CA C 13 53.073 0.033 . 1 . . . . . 11 ASN CA . 50558 1 48 . 1 . 1 11 11 ASN N N 15 119.795 0.031 . 1 . . . . . 11 ASN N . 50558 1 49 . 1 . 1 12 12 ALA H H 1 8.049 0.001 . 1 . . . . . 12 ALA H . 50558 1 50 . 1 . 1 12 12 ALA C C 13 174.834 0.000 . 1 . . . . . 12 ALA C . 50558 1 51 . 1 . 1 12 12 ALA CA C 13 50.677 0.000 . 1 . . . . . 12 ALA CA . 50558 1 52 . 1 . 1 12 12 ALA CB C 13 18.397 0.000 . 1 . . . . . 12 ALA CB . 50558 1 53 . 1 . 1 12 12 ALA N N 15 125.85 0.008 . 1 . . . . . 12 ALA N . 50558 1 54 . 1 . 1 13 13 PRO C C 13 176.608 0.000 . 1 . . . . . 13 PRO C . 50558 1 55 . 1 . 1 13 13 PRO CA C 13 63.036 0.000 . 1 . . . . . 13 PRO CA . 50558 1 56 . 1 . 1 14 14 ARG H H 1 8.335 0.002 . 1 . . . . . 14 ARG H . 50558 1 57 . 1 . 1 14 14 ARG C C 13 176.242 0.008 . 1 . . . . . 14 ARG C . 50558 1 58 . 1 . 1 14 14 ARG CA C 13 55.901 0.003 . 1 . . . . . 14 ARG CA . 50558 1 59 . 1 . 1 14 14 ARG CB C 13 30.734 0.000 . 1 . . . . . 14 ARG CB . 50558 1 60 . 1 . 1 14 14 ARG N N 15 122.126 0.004 . 1 . . . . . 14 ARG N . 50558 1 61 . 1 . 1 15 15 ILE H H 1 8.225 0.001 . 1 . . . . . 15 ILE H . 50558 1 62 . 1 . 1 15 15 ILE C C 13 176.021 0.004 . 1 . . . . . 15 ILE C . 50558 1 63 . 1 . 1 15 15 ILE CA C 13 60.758 0.003 . 1 . . . . . 15 ILE CA . 50558 1 64 . 1 . 1 15 15 ILE CB C 13 38.364 0.000 . 1 . . . . . 15 ILE CB . 50558 1 65 . 1 . 1 15 15 ILE N N 15 123.408 0.180 . 1 . . . . . 15 ILE N . 50558 1 66 . 1 . 1 16 16 THR H H 1 8.061 0.002 . 1 . . . . . 16 THR H . 50558 1 67 . 1 . 1 16 16 THR C C 13 173.812 0.003 . 1 . . . . . 16 THR C . 50558 1 68 . 1 . 1 16 16 THR CA C 13 61.11 0.009 . 1 . . . . . 16 THR CA . 50558 1 69 . 1 . 1 16 16 THR CB C 13 70.113 0.000 . 1 . . . . . 16 THR CB . 50558 1 70 . 1 . 1 16 16 THR N N 15 119.064 0.015 . 1 . . . . . 16 THR N . 50558 1 71 . 1 . 1 17 17 PHE H H 1 8.423 0.001 . 1 . . . . . 17 PHE H . 50558 1 72 . 1 . 1 17 17 PHE C C 13 176.135 0.004 . 1 . . . . . 17 PHE C . 50558 1 73 . 1 . 1 17 17 PHE CA C 13 57.782 0.025 . 1 . . . . . 17 PHE CA . 50558 1 74 . 1 . 1 17 17 PHE N N 15 123.671 0.015 . 1 . . . . . 17 PHE N . 50558 1 75 . 1 . 1 18 18 GLY H H 1 8.427 0.001 . 1 . . . . . 18 GLY H . 50558 1 76 . 1 . 1 18 18 GLY C C 13 174.194 0.006 . 1 . . . . . 18 GLY C . 50558 1 77 . 1 . 1 18 18 GLY CA C 13 45.268 0.016 . 1 . . . . . 18 GLY CA . 50558 1 78 . 1 . 1 18 18 GLY N N 15 111.645 0.025 . 1 . . . . . 18 GLY N . 50558 1 79 . 1 . 1 19 19 GLY H H 1 7.959 0.002 . 1 . . . . . 19 GLY H . 50558 1 80 . 1 . 1 19 19 GLY C C 13 171.987 0.000 . 1 . . . . . 19 GLY C . 50558 1 81 . 1 . 1 19 19 GLY CA C 13 44.577 0.000 . 1 . . . . . 19 GLY CA . 50558 1 82 . 1 . 1 19 19 GLY N N 15 109.422 0.013 . 1 . . . . . 19 GLY N . 50558 1 83 . 1 . 1 20 20 PRO C C 13 177.485 0.004 . 1 . . . . . 20 PRO C . 50558 1 84 . 1 . 1 20 20 PRO CA C 13 63.481 0.000 . 1 . . . . . 20 PRO CA . 50558 1 85 . 1 . 1 21 21 SER H H 1 8.436 0.002 . 1 . . . . . 21 SER H . 50558 1 86 . 1 . 1 21 21 SER C C 13 174.412 0.004 . 1 . . . . . 21 SER C . 50558 1 87 . 1 . 1 21 21 SER CA C 13 58.454 0.008 . 1 . . . . . 21 SER CA . 50558 1 88 . 1 . 1 21 21 SER CB C 13 63.86 0.000 . 1 . . . . . 21 SER CB . 50558 1 89 . 1 . 1 21 21 SER N N 15 116.389 0.023 . 1 . . . . . 21 SER N . 50558 1 90 . 1 . 1 22 22 ASP H H 1 8.233 0.002 . 1 . . . . . 22 ASP H . 50558 1 91 . 1 . 1 22 22 ASP C C 13 176.548 0.012 . 1 . . . . . 22 ASP C . 50558 1 92 . 1 . 1 22 22 ASP CA C 13 54.375 0.011 . 1 . . . . . 22 ASP CA . 50558 1 93 . 1 . 1 22 22 ASP CB C 13 41.302 0.000 . 1 . . . . . 22 ASP CB . 50558 1 94 . 1 . 1 22 22 ASP N N 15 122.737 0.013 . 1 . . . . . 22 ASP N . 50558 1 95 . 1 . 1 23 23 SER H H 1 8.315 0.003 . 1 . . . . . 23 SER H . 50558 1 96 . 1 . 1 23 23 SER C C 13 175.21 0.003 . 1 . . . . . 23 SER C . 50558 1 97 . 1 . 1 23 23 SER CA C 13 58.641 0.015 . 1 . . . . . 23 SER CA . 50558 1 98 . 1 . 1 23 23 SER N N 15 116.925 0.060 . 1 . . . . . 23 SER N . 50558 1 99 . 1 . 1 24 24 THR H H 1 8.222 0.002 . 1 . . . . . 24 THR H . 50558 1 100 . 1 . 1 24 24 THR C C 13 175.466 0.009 . 1 . . . . . 24 THR C . 50558 1 101 . 1 . 1 24 24 THR CA C 13 62.569 0.005 . 1 . . . . . 24 THR CA . 50558 1 102 . 1 . 1 24 24 THR CB C 13 69.67 0.000 . 1 . . . . . 24 THR CB . 50558 1 103 . 1 . 1 24 24 THR N N 15 115.855 0.010 . 1 . . . . . 24 THR N . 50558 1 104 . 1 . 1 25 25 GLY H H 1 8.354 0.003 . 1 . . . . . 25 GLY H . 50558 1 105 . 1 . 1 25 25 GLY C C 13 174.389 0.005 . 1 . . . . . 25 GLY C . 50558 1 106 . 1 . 1 25 25 GLY CA C 13 45.548 0.005 . 1 . . . . . 25 GLY CA . 50558 1 107 . 1 . 1 25 25 GLY N N 15 111.655 0.009 . 1 . . . . . 25 GLY N . 50558 1 108 . 1 . 1 26 26 SER H H 1 8.182 0.002 . 1 . . . . . 26 SER H . 50558 1 109 . 1 . 1 26 26 SER C C 13 174.54 0.010 . 1 . . . . . 26 SER C . 50558 1 110 . 1 . 1 26 26 SER CA C 13 58.482 0.014 . 1 . . . . . 26 SER CA . 50558 1 111 . 1 . 1 26 26 SER N N 15 116.132 0.006 . 1 . . . . . 26 SER N . 50558 1 112 . 1 . 1 27 27 ASN H H 1 8.494 0.005 . 1 . . . . . 27 ASN H . 50558 1 113 . 1 . 1 27 27 ASN C C 13 175.483 0.007 . 1 . . . . . 27 ASN C . 50558 1 114 . 1 . 1 27 27 ASN CA C 13 53.402 0.016 . 1 . . . . . 27 ASN CA . 50558 1 115 . 1 . 1 27 27 ASN N N 15 121.195 0.019 . 1 . . . . . 27 ASN N . 50558 1 116 . 1 . 1 28 28 GLN H H 1 8.361 0.002 . 1 . . . . . 28 GLN H . 50558 1 117 . 1 . 1 28 28 GLN C C 13 175.968 0.010 . 1 . . . . . 28 GLN C . 50558 1 118 . 1 . 1 28 28 GLN CA C 13 56.262 0.011 . 1 . . . . . 28 GLN CA . 50558 1 119 . 1 . 1 28 28 GLN CB C 13 29.208 0.000 . 1 . . . . . 28 GLN CB . 50558 1 120 . 1 . 1 28 28 GLN N N 15 120.971 0.014 . 1 . . . . . 28 GLN N . 50558 1 121 . 1 . 1 29 29 ASN H H 1 8.43 0.001 . 1 . . . . . 29 ASN H . 50558 1 122 . 1 . 1 29 29 ASN C C 13 175.822 0.005 . 1 . . . . . 29 ASN C . 50558 1 123 . 1 . 1 29 29 ASN CA C 13 53.526 0.019 . 1 . . . . . 29 ASN CA . 50558 1 124 . 1 . 1 29 29 ASN N N 15 119.713 0.009 . 1 . . . . . 29 ASN N . 50558 1 125 . 1 . 1 30 30 GLY H H 1 8.281 0.001 . 1 . . . . . 30 GLY H . 50558 1 126 . 1 . 1 30 30 GLY C C 13 174.397 0.010 . 1 . . . . . 30 GLY C . 50558 1 127 . 1 . 1 30 30 GLY CA C 13 45.592 0.010 . 1 . . . . . 30 GLY CA . 50558 1 128 . 1 . 1 30 30 GLY N N 15 109.765 0.010 . 1 . . . . . 30 GLY N . 50558 1 129 . 1 . 1 31 31 GLU H H 1 8.272 0.001 . 1 . . . . . 31 GLU H . 50558 1 130 . 1 . 1 31 31 GLU C C 13 176.947 0.005 . 1 . . . . . 31 GLU C . 50558 1 131 . 1 . 1 31 31 GLU CA C 13 56.849 0.008 . 1 . . . . . 31 GLU CA . 50558 1 132 . 1 . 1 31 31 GLU CB C 13 30.277 0.000 . 1 . . . . . 31 GLU CB . 50558 1 133 . 1 . 1 31 31 GLU N N 15 121.377 0.009 . 1 . . . . . 31 GLU N . 50558 1 134 . 1 . 1 32 32 ARG H H 1 8.396 0.002 . 1 . . . . . 32 ARG H . 50558 1 135 . 1 . 1 32 32 ARG C C 13 176.597 0.011 . 1 . . . . . 32 ARG C . 50558 1 136 . 1 . 1 32 32 ARG CA C 13 56.148 0.034 . 1 . . . . . 32 ARG CA . 50558 1 137 . 1 . 1 32 32 ARG CB C 13 30.429 0.000 . 1 . . . . . 32 ARG CB . 50558 1 138 . 1 . 1 32 32 ARG N N 15 122.316 0.008 . 1 . . . . . 32 ARG N . 50558 1 139 . 1 . 1 33 33 SER H H 1 8.301 0.001 . 1 . . . . . 33 SER H . 50558 1 140 . 1 . 1 33 33 SER C C 13 175.301 0.009 . 1 . . . . . 33 SER C . 50558 1 141 . 1 . 1 33 33 SER CA C 13 58.859 0.047 . 1 . . . . . 33 SER CA . 50558 1 142 . 1 . 1 33 33 SER N N 15 117.357 0.009 . 1 . . . . . 33 SER N . 50558 1 143 . 1 . 1 34 34 GLY H H 1 8.427 0.001 . 1 . . . . . 34 GLY H . 50558 1 144 . 1 . 1 34 34 GLY C C 13 174.203 0.011 . 1 . . . . . 34 GLY C . 50558 1 145 . 1 . 1 34 34 GLY CA C 13 45.49 0.015 . 1 . . . . . 34 GLY CA . 50558 1 146 . 1 . 1 34 34 GLY N N 15 111.738 0.015 . 1 . . . . . 34 GLY N . 50558 1 147 . 1 . 1 35 35 ALA H H 1 8.11 0.002 . 1 . . . . . 35 ALA H . 50558 1 148 . 1 . 1 35 35 ALA C C 13 178.168 0.005 . 1 . . . . . 35 ALA C . 50558 1 149 . 1 . 1 35 35 ALA CA C 13 52.957 0.011 . 1 . . . . . 35 ALA CA . 50558 1 150 . 1 . 1 35 35 ALA CB C 13 19.137 0.000 . 1 . . . . . 35 ALA CB . 50558 1 151 . 1 . 1 35 35 ALA N N 15 124.361 0.009 . 1 . . . . . 35 ALA N . 50558 1 152 . 1 . 1 36 36 ARG H H 1 8.302 0.002 . 1 . . . . . 36 ARG H . 50558 1 153 . 1 . 1 36 36 ARG C C 13 176.751 0.006 . 1 . . . . . 36 ARG C . 50558 1 154 . 1 . 1 36 36 ARG CA C 13 56.314 0.018 . 1 . . . . . 36 ARG CA . 50558 1 155 . 1 . 1 36 36 ARG CB C 13 30.67 0.000 . 1 . . . . . 36 ARG CB . 50558 1 156 . 1 . 1 36 36 ARG N N 15 120.304 0.012 . 1 . . . . . 36 ARG N . 50558 1 157 . 1 . 1 37 37 SER H H 1 8.2 0.002 . 1 . . . . . 37 SER H . 50558 1 158 . 1 . 1 37 37 SER C C 13 174.756 0.028 . 1 . . . . . 37 SER C . 50558 1 159 . 1 . 1 37 37 SER CA C 13 58.653 0.142 . 1 . . . . . 37 SER CA . 50558 1 160 . 1 . 1 37 37 SER N N 15 117.101 0.005 . 1 . . . . . 37 SER N . 50558 1 161 . 1 . 1 38 38 LYS H H 1 8.293 0.006 . 1 . . . . . 38 LYS H . 50558 1 162 . 1 . 1 38 38 LYS C C 13 176.594 0.004 . 1 . . . . . 38 LYS C . 50558 1 163 . 1 . 1 38 38 LYS CA C 13 56.525 0.001 . 1 . . . . . 38 LYS CA . 50558 1 164 . 1 . 1 38 38 LYS N N 15 123.671 0.271 . 1 . . . . . 38 LYS N . 50558 1 165 . 1 . 1 39 39 GLN H H 1 8.228 0.002 . 1 . . . . . 39 GLN H . 50558 1 166 . 1 . 1 39 39 GLN C C 13 175.878 0.005 . 1 . . . . . 39 GLN C . 50558 1 167 . 1 . 1 39 39 GLN CA C 13 55.872 0.001 . 1 . . . . . 39 GLN CA . 50558 1 168 . 1 . 1 39 39 GLN CB C 13 29.585 0.000 . 1 . . . . . 39 GLN CB . 50558 1 169 . 1 . 1 39 39 GLN N N 15 121.608 0.020 . 1 . . . . . 39 GLN N . 50558 1 170 . 1 . 1 40 40 ARG H H 1 8.349 0.001 . 1 . . . . . 40 ARG H . 50558 1 171 . 1 . 1 40 40 ARG C C 13 176.015 0.013 . 1 . . . . . 40 ARG C . 50558 1 172 . 1 . 1 40 40 ARG CA C 13 56.07 0.022 . 1 . . . . . 40 ARG CA . 50558 1 173 . 1 . 1 40 40 ARG CB C 13 30.899 0.000 . 1 . . . . . 40 ARG CB . 50558 1 174 . 1 . 1 40 40 ARG N N 15 123.63 0.003 . 1 . . . . . 40 ARG N . 50558 1 175 . 1 . 1 41 41 ARG H H 1 8.383 0.002 . 1 . . . . . 41 ARG H . 50558 1 176 . 1 . 1 41 41 ARG C C 13 174.276 0.000 . 1 . . . . . 41 ARG C . 50558 1 177 . 1 . 1 41 41 ARG CA C 13 54.036 0.000 . 1 . . . . . 41 ARG CA . 50558 1 178 . 1 . 1 41 41 ARG CB C 13 30.268 0.000 . 1 . . . . . 41 ARG CB . 50558 1 179 . 1 . 1 41 41 ARG N N 15 124.446 0.014 . 1 . . . . . 41 ARG N . 50558 1 180 . 1 . 1 42 42 PRO C C 13 176.859 0.000 . 1 . . . . . 42 PRO C . 50558 1 181 . 1 . 1 42 42 PRO CA C 13 63.332 0.000 . 1 . . . . . 42 PRO CA . 50558 1 182 . 1 . 1 43 43 GLN H H 1 8.471 0.003 . 1 . . . . . 43 GLN H . 50558 1 183 . 1 . 1 43 43 GLN C C 13 176.407 0.008 . 1 . . . . . 43 GLN C . 50558 1 184 . 1 . 1 43 43 GLN CA C 13 55.9 0.021 . 1 . . . . . 43 GLN CA . 50558 1 185 . 1 . 1 43 43 GLN N N 15 121.299 0.017 . 1 . . . . . 43 GLN N . 50558 1 186 . 1 . 1 44 44 GLY H H 1 8.341 0.003 . 1 . . . . . 44 GLY H . 50558 1 187 . 1 . 1 44 44 GLY C C 13 173.681 0.005 . 1 . . . . . 44 GLY C . 50558 1 188 . 1 . 1 44 44 GLY CA C 13 45.119 0.018 . 1 . . . . . 44 GLY CA . 50558 1 189 . 1 . 1 44 44 GLY N N 15 110.565 0.014 . 1 . . . . . 44 GLY N . 50558 1 190 . 1 . 1 45 45 LEU H H 1 8.093 0.001 . 1 . . . . . 45 LEU H . 50558 1 191 . 1 . 1 45 45 LEU C C 13 175.607 0.000 . 1 . . . . . 45 LEU C . 50558 1 192 . 1 . 1 45 45 LEU CA C 13 53.066 0.000 . 1 . . . . . 45 LEU CA . 50558 1 193 . 1 . 1 45 45 LEU CB C 13 41.732 0.000 . 1 . . . . . 45 LEU CB . 50558 1 194 . 1 . 1 45 45 LEU N N 15 123.385 0.013 . 1 . . . . . 45 LEU N . 50558 1 195 . 1 . 1 46 46 PRO C C 13 176.676 0.001 . 1 . . . . . 46 PRO C . 50558 1 196 . 1 . 1 46 46 PRO CA C 13 63.286 0.000 . 1 . . . . . 46 PRO CA . 50558 1 197 . 1 . 1 47 47 ASN H H 1 8.407 0.002 . 1 . . . . . 47 ASN H . 50558 1 198 . 1 . 1 47 47 ASN C C 13 175.061 0.004 . 1 . . . . . 47 ASN C . 50558 1 199 . 1 . 1 47 47 ASN CA C 13 53.196 0.117 . 1 . . . . . 47 ASN CA . 50558 1 200 . 1 . 1 47 47 ASN N N 15 118.809 0.014 . 1 . . . . . 47 ASN N . 50558 1 201 . 1 . 1 48 48 ASN H H 1 8.251 0.007 . 1 . . . . . 48 ASN H . 50558 1 202 . 1 . 1 48 48 ASN C C 13 175.08 0.008 . 1 . . . . . 48 ASN C . 50558 1 203 . 1 . 1 48 48 ASN CA C 13 53.007 0.008 . 1 . . . . . 48 ASN CA . 50558 1 204 . 1 . 1 48 48 ASN N N 15 119.908 0.025 . 1 . . . . . 48 ASN N . 50558 1 205 . 1 . 1 49 49 THR H H 1 7.792 0.001 . 1 . . . . . 49 THR H . 50558 1 206 . 1 . 1 49 49 THR C C 13 173.825 0.006 . 1 . . . . . 49 THR C . 50558 1 207 . 1 . 1 49 49 THR CA C 13 60.955 0.034 . 1 . . . . . 49 THR CA . 50558 1 208 . 1 . 1 49 49 THR N N 15 111.394 0.006 . 1 . . . . . 49 THR N . 50558 1 209 . 1 . 1 50 50 ALA H H 1 8.407 0.002 . 1 . . . . . 50 ALA H . 50558 1 210 . 1 . 1 50 50 ALA C C 13 178.049 0.000 . 1 . . . . . 50 ALA C . 50558 1 211 . 1 . 1 50 50 ALA CA C 13 52.902 0.000 . 1 . . . . . 50 ALA CA . 50558 1 212 . 1 . 1 50 50 ALA N N 15 127.126 0.013 . 1 . . . . . 50 ALA N . 50558 1 213 . 1 . 1 176 176 SER H H 1 8.088 0.001 . 1 . . . . . 176 SER H . 50558 1 214 . 1 . 1 176 176 SER C C 13 174.924 0.032 . 1 . . . . . 176 SER C . 50558 1 215 . 1 . 1 176 176 SER CA C 13 58.747 0.021 . 1 . . . . . 176 SER CA . 50558 1 216 . 1 . 1 176 176 SER N N 15 115.447 0.020 . 1 . . . . . 176 SER N . 50558 1 217 . 1 . 1 177 177 ARG H H 1 8.508 0.003 . 1 . . . . . 177 ARG H . 50558 1 218 . 1 . 1 177 177 ARG C C 13 176.919 0.008 . 1 . . . . . 177 ARG C . 50558 1 219 . 1 . 1 177 177 ARG CA C 13 56.44 0.020 . 1 . . . . . 177 ARG CA . 50558 1 220 . 1 . 1 177 177 ARG N N 15 123.507 0.005 . 1 . . . . . 177 ARG N . 50558 1 221 . 1 . 1 178 178 GLY H H 1 8.388 0.005 . 1 . . . . . 178 GLY H . 50558 1 222 . 1 . 1 178 178 GLY C C 13 174.736 0.008 . 1 . . . . . 178 GLY C . 50558 1 223 . 1 . 1 178 178 GLY CA C 13 45.439 0.022 . 1 . . . . . 178 GLY CA . 50558 1 224 . 1 . 1 178 178 GLY N N 15 110.291 0.035 . 1 . . . . . 178 GLY N . 50558 1 225 . 1 . 1 179 179 GLY H H 1 8.257 0.001 . 1 . . . . . 179 GLY H . 50558 1 226 . 1 . 1 179 179 GLY C C 13 174.54 0.028 . 1 . . . . . 179 GLY C . 50558 1 227 . 1 . 1 179 179 GLY CA C 13 45.534 0.072 . 1 . . . . . 179 GLY CA . 50558 1 228 . 1 . 1 179 179 GLY N N 15 109.514 0.006 . 1 . . . . . 179 GLY N . 50558 1 229 . 1 . 1 180 180 SER H H 1 8.302 0.001 . 1 . . . . . 180 SER H . 50558 1 230 . 1 . 1 180 180 SER C C 13 174.938 0.025 . 1 . . . . . 180 SER C . 50558 1 231 . 1 . 1 180 180 SER CA C 13 58.59 0.009 . 1 . . . . . 180 SER CA . 50558 1 232 . 1 . 1 180 180 SER N N 15 116.457 0.004 . 1 . . . . . 180 SER N . 50558 1 233 . 1 . 1 181 181 GLN H H 1 8.456 0.002 . 1 . . . . . 181 GLN H . 50558 1 234 . 1 . 1 181 181 GLN C C 13 176.023 0.013 . 1 . . . . . 181 GLN C . 50558 1 235 . 1 . 1 181 181 GLN CA C 13 56.098 0.012 . 1 . . . . . 181 GLN CA . 50558 1 236 . 1 . 1 181 181 GLN N N 15 122.724 0.005 . 1 . . . . . 181 GLN N . 50558 1 237 . 1 . 1 182 182 ALA H H 1 8.245 0.001 . 1 . . . . . 182 ALA H . 50558 1 238 . 1 . 1 182 182 ALA C C 13 178.071 0.008 . 1 . . . . . 182 ALA C . 50558 1 239 . 1 . 1 182 182 ALA CA C 13 53.041 0.032 . 1 . . . . . 182 ALA CA . 50558 1 240 . 1 . 1 182 182 ALA CB C 13 19.265 0.000 . 1 . . . . . 182 ALA CB . 50558 1 241 . 1 . 1 182 182 ALA N N 15 125.414 0.006 . 1 . . . . . 182 ALA N . 50558 1 242 . 1 . 1 183 183 SER H H 1 8.233 0.002 . 1 . . . . . 183 SER H . 50558 1 243 . 1 . 1 183 183 SER C C 13 175.484 0.000 . 1 . . . . . 183 SER C . 50558 1 244 . 1 . 1 183 183 SER CA C 13 58.558 0.000 . 1 . . . . . 183 SER CA . 50558 1 245 . 1 . 1 183 183 SER N N 15 115.336 0.032 . 1 . . . . . 183 SER N . 50558 1 246 . 1 . 1 198 198 THR H H 1 8.198 0.002 . 1 . . . . . 198 THR H . 50558 1 247 . 1 . 1 198 198 THR C C 13 173.041 0.000 . 1 . . . . . 198 THR C . 50558 1 248 . 1 . 1 198 198 THR CA C 13 59.858 0.000 . 1 . . . . . 198 THR CA . 50558 1 249 . 1 . 1 198 198 THR CB C 13 69.702 0.000 . 1 . . . . . 198 THR CB . 50558 1 250 . 1 . 1 198 198 THR N N 15 118.465 0.006 . 1 . . . . . 198 THR N . 50558 1 251 . 1 . 1 199 199 PRO C C 13 177.652 0.000 . 1 . . . . . 199 PRO C . 50558 1 252 . 1 . 1 199 199 PRO CA C 13 63.755 0.000 . 1 . . . . . 199 PRO CA . 50558 1 253 . 1 . 1 200 200 GLY H H 1 8.505 0.003 . 1 . . . . . 200 GLY H . 50558 1 254 . 1 . 1 200 200 GLY C C 13 174.407 0.012 . 1 . . . . . 200 GLY C . 50558 1 255 . 1 . 1 200 200 GLY CA C 13 45.502 0.007 . 1 . . . . . 200 GLY CA . 50558 1 256 . 1 . 1 200 200 GLY N N 15 110.242 0.047 . 1 . . . . . 200 GLY N . 50558 1 257 . 1 . 1 201 201 SER H H 1 8.12 0.001 . 1 . . . . . 201 SER H . 50558 1 258 . 1 . 1 201 201 SER C C 13 174.917 0.000 . 1 . . . . . 201 SER C . 50558 1 259 . 1 . 1 201 201 SER CA C 13 58.472 0.000 . 1 . . . . . 201 SER CA . 50558 1 260 . 1 . 1 201 201 SER N N 15 115.975 0.001 . 1 . . . . . 201 SER N . 50558 1 261 . 1 . 1 203 203 ARG H H 1 8.337 0.001 . 1 . . . . . 203 ARG H . 50558 1 262 . 1 . 1 203 203 ARG C C 13 176.871 0.011 . 1 . . . . . 203 ARG C . 50558 1 263 . 1 . 1 203 203 ARG CA C 13 56.44 0.012 . 1 . . . . . 203 ARG CA . 50558 1 264 . 1 . 1 203 203 ARG N N 15 123.395 0.004 . 1 . . . . . 203 ARG N . 50558 1 265 . 1 . 1 204 204 GLY H H 1 8.367 0.001 . 1 . . . . . 204 GLY H . 50558 1 266 . 1 . 1 204 204 GLY C C 13 174.269 0.002 . 1 . . . . . 204 GLY C . 50558 1 267 . 1 . 1 204 204 GLY CA C 13 45.368 0.005 . 1 . . . . . 204 GLY CA . 50558 1 268 . 1 . 1 204 204 GLY N N 15 110.333 0.011 . 1 . . . . . 204 GLY N . 50558 1 269 . 1 . 1 205 205 THR H H 1 8.022 0.002 . 1 . . . . . 205 THR H . 50558 1 270 . 1 . 1 205 205 THR C C 13 174.51 0.008 . 1 . . . . . 205 THR C . 50558 1 271 . 1 . 1 205 205 THR CA C 13 61.636 0.005 . 1 . . . . . 205 THR CA . 50558 1 272 . 1 . 1 205 205 THR CB C 13 70.05 0.000 . 1 . . . . . 205 THR CB . 50558 1 273 . 1 . 1 205 205 THR N N 15 113.879 0.015 . 1 . . . . . 205 THR N . 50558 1 274 . 1 . 1 206 206 SER H H 1 8.33 0.001 . 1 . . . . . 206 SER H . 50558 1 275 . 1 . 1 206 206 SER C C 13 175.213 0.000 . 1 . . . . . 206 SER C . 50558 1 276 . 1 . 1 206 206 SER CA C 13 56.622 0.000 . 1 . . . . . 206 SER CA . 50558 1 277 . 1 . 1 206 206 SER N N 15 120.168 0.008 . 1 . . . . . 206 SER N . 50558 1 278 . 1 . 1 207 207 PRO C C 13 176.823 0.005 . 1 . . . . . 207 PRO C . 50558 1 279 . 1 . 1 207 207 PRO CA C 13 63.493 0.000 . 1 . . . . . 207 PRO CA . 50558 1 280 . 1 . 1 208 208 ALA H H 1 8.25 0.002 . 1 . . . . . 208 ALA H . 50558 1 281 . 1 . 1 208 208 ALA C C 13 177.923 0.006 . 1 . . . . . 208 ALA C . 50558 1 282 . 1 . 1 208 208 ALA CA C 13 52.795 0.010 . 1 . . . . . 208 ALA CA . 50558 1 283 . 1 . 1 208 208 ALA CB C 13 19.121 0.000 . 1 . . . . . 208 ALA CB . 50558 1 284 . 1 . 1 208 208 ALA N N 15 124.209 0.016 . 1 . . . . . 208 ALA N . 50558 1 285 . 1 . 1 209 209 ARG H H 1 8.166 0.002 . 1 . . . . . 209 ARG H . 50558 1 286 . 1 . 1 209 209 ARG C C 13 176.419 0.010 . 1 . . . . . 209 ARG C . 50558 1 287 . 1 . 1 209 209 ARG CA C 13 56.097 0.017 . 1 . . . . . 209 ARG CA . 50558 1 288 . 1 . 1 209 209 ARG CB C 13 30.449 0.000 . 1 . . . . . 209 ARG CB . 50558 1 289 . 1 . 1 209 209 ARG N N 15 120.307 0.011 . 1 . . . . . 209 ARG N . 50558 1 290 . 1 . 1 210 210 MET H H 1 8.276 0.001 . 1 . . . . . 210 MET H . 50558 1 291 . 1 . 1 210 210 MET C C 13 175.94 0.003 . 1 . . . . . 210 MET C . 50558 1 292 . 1 . 1 210 210 MET CA C 13 55.496 0.005 . 1 . . . . . 210 MET CA . 50558 1 293 . 1 . 1 210 210 MET CB C 13 33 0.000 . 1 . . . . . 210 MET CB . 50558 1 294 . 1 . 1 210 210 MET N N 15 121.906 0.005 . 1 . . . . . 210 MET N . 50558 1 295 . 1 . 1 211 211 ALA H H 1 8.258 0.002 . 1 . . . . . 211 ALA H . 50558 1 296 . 1 . 1 211 211 ALA C C 13 178.144 0.010 . 1 . . . . . 211 ALA C . 50558 1 297 . 1 . 1 211 211 ALA CA C 13 52.744 0.017 . 1 . . . . . 211 ALA CA . 50558 1 298 . 1 . 1 211 211 ALA CB C 13 19.392 0.000 . 1 . . . . . 211 ALA CB . 50558 1 299 . 1 . 1 211 211 ALA N N 15 125.545 0.007 . 1 . . . . . 211 ALA N . 50558 1 300 . 1 . 1 212 212 GLY H H 1 8.337 0.002 . 1 . . . . . 212 GLY H . 50558 1 301 . 1 . 1 212 212 GLY C C 13 174.141 0.004 . 1 . . . . . 212 GLY C . 50558 1 302 . 1 . 1 212 212 GLY CA C 13 45.46 0.007 . 1 . . . . . 212 GLY CA . 50558 1 303 . 1 . 1 212 212 GLY N N 15 108.665 0.026 . 1 . . . . . 212 GLY N . 50558 1 304 . 1 . 1 213 213 ASN H H 1 8.329 0.001 . 1 . . . . . 213 ASN H . 50558 1 305 . 1 . 1 213 213 ASN C C 13 175.941 0.008 . 1 . . . . . 213 ASN C . 50558 1 306 . 1 . 1 213 213 ASN CA C 13 53.227 0.003 . 1 . . . . . 213 ASN CA . 50558 1 307 . 1 . 1 213 213 ASN N N 15 119.148 0.014 . 1 . . . . . 213 ASN N . 50558 1 308 . 1 . 1 214 214 GLY H H 1 8.497 0.003 . 1 . . . . . 214 GLY H . 50558 1 309 . 1 . 1 214 214 GLY C C 13 174.977 0.010 . 1 . . . . . 214 GLY C . 50558 1 310 . 1 . 1 214 214 GLY CA C 13 45.691 0.009 . 1 . . . . . 214 GLY CA . 50558 1 311 . 1 . 1 214 214 GLY N N 15 109.911 0.039 . 1 . . . . . 214 GLY N . 50558 1 312 . 1 . 1 215 215 GLY H H 1 8.286 0.002 . 1 . . . . . 215 GLY H . 50558 1 313 . 1 . 1 215 215 GLY C C 13 174.435 0.000 . 1 . . . . . 215 GLY C . 50558 1 314 . 1 . 1 215 215 GLY CA C 13 45.628 0.000 . 1 . . . . . 215 GLY CA . 50558 1 315 . 1 . 1 215 215 GLY N N 15 109.514 0.012 . 1 . . . . . 215 GLY N . 50558 1 316 . 1 . 1 237 237 LYS H H 1 8.125 0.002 . 1 . . . . . 237 LYS H . 50558 1 317 . 1 . 1 237 237 LYS C C 13 177.374 0.010 . 1 . . . . . 237 LYS C . 50558 1 318 . 1 . 1 237 237 LYS CA C 13 56.573 0.042 . 1 . . . . . 237 LYS CA . 50558 1 319 . 1 . 1 237 237 LYS CB C 13 32.994 0.000 . 1 . . . . . 237 LYS CB . 50558 1 320 . 1 . 1 237 237 LYS N N 15 121.224 0.017 . 1 . . . . . 237 LYS N . 50558 1 321 . 1 . 1 238 238 GLY H H 1 8.448 0.002 . 1 . . . . . 238 GLY H . 50558 1 322 . 1 . 1 238 238 GLY C C 13 174.337 0.006 . 1 . . . . . 238 GLY C . 50558 1 323 . 1 . 1 238 238 GLY CA C 13 45.463 0.014 . 1 . . . . . 238 GLY CA . 50558 1 324 . 1 . 1 238 238 GLY N N 15 110.389 0.012 . 1 . . . . . 238 GLY N . 50558 1 325 . 1 . 1 239 239 GLN H H 1 8.198 0.002 . 1 . . . . . 239 GLN H . 50558 1 326 . 1 . 1 239 239 GLN C C 13 176.271 0.001 . 1 . . . . . 239 GLN C . 50558 1 327 . 1 . 1 239 239 GLN CA C 13 56.016 0.021 . 1 . . . . . 239 GLN CA . 50558 1 328 . 1 . 1 239 239 GLN CB C 13 29.371 0.000 . 1 . . . . . 239 GLN CB . 50558 1 329 . 1 . 1 239 239 GLN N N 15 120.299 0.007 . 1 . . . . . 239 GLN N . 50558 1 330 . 1 . 1 240 240 GLN H H 1 8.429 0.001 . 1 . . . . . 240 GLN H . 50558 1 331 . 1 . 1 240 240 GLN C C 13 176.105 0.018 . 1 . . . . . 240 GLN C . 50558 1 332 . 1 . 1 240 240 GLN CA C 13 56.225 0.084 . 1 . . . . . 240 GLN CA . 50558 1 333 . 1 . 1 240 240 GLN CB C 13 29.369 0.000 . 1 . . . . . 240 GLN CB . 50558 1 334 . 1 . 1 240 240 GLN N N 15 121.92 0.005 . 1 . . . . . 240 GLN N . 50558 1 335 . 1 . 1 241 241 GLN H H 1 8.415 0.001 . 1 . . . . . 241 GLN H . 50558 1 336 . 1 . 1 241 241 GLN C C 13 176.082 0.010 . 1 . . . . . 241 GLN C . 50558 1 337 . 1 . 1 241 241 GLN CA C 13 56.036 0.016 . 1 . . . . . 241 GLN CA . 50558 1 338 . 1 . 1 241 241 GLN CB C 13 30.503 0.000 . 1 . . . . . 241 GLN CB . 50558 1 339 . 1 . 1 241 241 GLN N N 15 122.137 0.009 . 1 . . . . . 241 GLN N . 50558 1 340 . 1 . 1 242 242 GLN H H 1 8.454 0.001 . 1 . . . . . 242 GLN H . 50558 1 341 . 1 . 1 242 242 GLN C C 13 176.555 0.006 . 1 . . . . . 242 GLN C . 50558 1 342 . 1 . 1 242 242 GLN CA C 13 56.244 0.025 . 1 . . . . . 242 GLN CA . 50558 1 343 . 1 . 1 242 242 GLN CB C 13 29.459 0.000 . 1 . . . . . 242 GLN CB . 50558 1 344 . 1 . 1 242 242 GLN N N 15 122.388 0.004 . 1 . . . . . 242 GLN N . 50558 1 345 . 1 . 1 243 243 GLY H H 1 8.456 0.001 . 1 . . . . . 243 GLY H . 50558 1 346 . 1 . 1 243 243 GLY C C 13 174.111 0.006 . 1 . . . . . 243 GLY C . 50558 1 347 . 1 . 1 243 243 GLY CA C 13 45.446 0.017 . 1 . . . . . 243 GLY CA . 50558 1 348 . 1 . 1 243 243 GLY N N 15 110.821 0.007 . 1 . . . . . 243 GLY N . 50558 1 349 . 1 . 1 244 244 GLN H H 1 8.24 0.002 . 1 . . . . . 244 GLN H . 50558 1 350 . 1 . 1 244 244 GLN C C 13 176.278 0.003 . 1 . . . . . 244 GLN C . 50558 1 351 . 1 . 1 244 244 GLN CA C 13 55.871 0.022 . 1 . . . . . 244 GLN CA . 50558 1 352 . 1 . 1 244 244 GLN CB C 13 29.712 0.000 . 1 . . . . . 244 GLN CB . 50558 1 353 . 1 . 1 244 244 GLN N N 15 120.38 0.006 . 1 . . . . . 244 GLN N . 50558 1 354 . 1 . 1 245 245 THR H H 1 8.26 0.002 . 1 . . . . . 245 THR H . 50558 1 355 . 1 . 1 245 245 THR C C 13 174.517 0.007 . 1 . . . . . 245 THR C . 50558 1 356 . 1 . 1 245 245 THR CA C 13 62.156 0.001 . 1 . . . . . 245 THR CA . 50558 1 357 . 1 . 1 245 245 THR N N 15 117.026 0.014 . 1 . . . . . 245 THR N . 50558 1 358 . 1 . 1 246 246 VAL H H 1 8.225 0.002 . 1 . . . . . 246 VAL H . 50558 1 359 . 1 . 1 246 246 VAL C C 13 176.24 0.010 . 1 . . . . . 246 VAL C . 50558 1 360 . 1 . 1 246 246 VAL CA C 13 62.354 0.001 . 1 . . . . . 246 VAL CA . 50558 1 361 . 1 . 1 246 246 VAL CB C 13 32.88 0.000 . 1 . . . . . 246 VAL CB . 50558 1 362 . 1 . 1 246 246 VAL N N 15 123.897 0.007 . 1 . . . . . 246 VAL N . 50558 1 363 . 1 . 1 247 247 THR H H 1 8.246 0.002 . 1 . . . . . 247 THR H . 50558 1 364 . 1 . 1 247 247 THR C C 13 174.42 0.006 . 1 . . . . . 247 THR C . 50558 1 365 . 1 . 1 247 247 THR CA C 13 61.891 0.001 . 1 . . . . . 247 THR CA . 50558 1 366 . 1 . 1 247 247 THR N N 15 119.648 0.022 . 1 . . . . . 247 THR N . 50558 1 367 . 1 . 1 248 248 LYS H H 1 8.337 0.002 . 1 . . . . . 248 LYS H . 50558 1 368 . 1 . 1 248 248 LYS C C 13 176.608 0.006 . 1 . . . . . 248 LYS C . 50558 1 369 . 1 . 1 248 248 LYS CA C 13 56.474 0.018 . 1 . . . . . 248 LYS CA . 50558 1 370 . 1 . 1 248 248 LYS CB C 13 33.03 0.000 . 1 . . . . . 248 LYS CB . 50558 1 371 . 1 . 1 248 248 LYS N N 15 125.187 0.008 . 1 . . . . . 248 LYS N . 50558 1 372 . 1 . 1 249 249 LYS H H 1 8.366 0.002 . 1 . . . . . 249 LYS H . 50558 1 373 . 1 . 1 249 249 LYS C C 13 176.804 0.006 . 1 . . . . . 249 LYS C . 50558 1 374 . 1 . 1 249 249 LYS CA C 13 56.503 0.036 . 1 . . . . . 249 LYS CA . 50558 1 375 . 1 . 1 249 249 LYS CB C 13 33.067 0.000 . 1 . . . . . 249 LYS CB . 50558 1 376 . 1 . 1 249 249 LYS N N 15 123.954 0.006 . 1 . . . . . 249 LYS N . 50558 1 377 . 1 . 1 250 250 SER H H 1 8.357 0.003 . 1 . . . . . 250 SER H . 50558 1 378 . 1 . 1 250 250 SER C C 13 174.63 0.012 . 1 . . . . . 250 SER C . 50558 1 379 . 1 . 1 250 250 SER CA C 13 58.39 0.002 . 1 . . . . . 250 SER CA . 50558 1 380 . 1 . 1 250 250 SER N N 15 118.133 0.027 . 1 . . . . . 250 SER N . 50558 1 381 . 1 . 1 251 251 ALA H H 1 8.381 0.003 . 1 . . . . . 251 ALA H . 50558 1 382 . 1 . 1 251 251 ALA C C 13 178.033 0.006 . 1 . . . . . 251 ALA C . 50558 1 383 . 1 . 1 251 251 ALA CA C 13 52.998 0.003 . 1 . . . . . 251 ALA CA . 50558 1 384 . 1 . 1 251 251 ALA N N 15 126.91 0.014 . 1 . . . . . 251 ALA N . 50558 1 385 . 1 . 1 252 252 ALA H H 1 8.175 0.001 . 1 . . . . . 252 ALA H . 50558 1 386 . 1 . 1 252 252 ALA C C 13 178.395 0.004 . 1 . . . . . 252 ALA C . 50558 1 387 . 1 . 1 252 252 ALA CA C 13 53.016 0.071 . 1 . . . . . 252 ALA CA . 50558 1 388 . 1 . 1 252 252 ALA CB C 13 19.07 0.000 . 1 . . . . . 252 ALA CB . 50558 1 389 . 1 . 1 252 252 ALA N N 15 123.266 0.018 . 1 . . . . . 252 ALA N . 50558 1 390 . 1 . 1 253 253 GLU H H 1 8.176 0.002 . 1 . . . . . 253 GLU H . 50558 1 391 . 1 . 1 253 253 GLU C C 13 176.827 0.007 . 1 . . . . . 253 GLU C . 50558 1 392 . 1 . 1 253 253 GLU CA C 13 56.923 0.009 . 1 . . . . . 253 GLU CA . 50558 1 393 . 1 . 1 253 253 GLU CB C 13 30.478 0.000 . 1 . . . . . 253 GLU CB . 50558 1 394 . 1 . 1 253 253 GLU N N 15 120.311 0.015 . 1 . . . . . 253 GLU N . 50558 1 395 . 1 . 1 254 254 ALA H H 1 8.196 0.001 . 1 . . . . . 254 ALA H . 50558 1 396 . 1 . 1 254 254 ALA C C 13 178.063 0.005 . 1 . . . . . 254 ALA C . 50558 1 397 . 1 . 1 254 254 ALA CA C 13 52.977 0.003 . 1 . . . . . 254 ALA CA . 50558 1 398 . 1 . 1 254 254 ALA CB C 13 19.117 0.000 . 1 . . . . . 254 ALA CB . 50558 1 399 . 1 . 1 254 254 ALA N N 15 125.055 0.008 . 1 . . . . . 254 ALA N . 50558 1 400 . 1 . 1 255 255 SER H H 1 8.098 0.002 . 1 . . . . . 255 SER H . 50558 1 401 . 1 . 1 255 255 SER C C 13 174.623 0.003 . 1 . . . . . 255 SER C . 50558 1 402 . 1 . 1 255 255 SER CA C 13 58.627 0.008 . 1 . . . . . 255 SER CA . 50558 1 403 . 1 . 1 255 255 SER CB C 13 63.845 0.000 . 1 . . . . . 255 SER CB . 50558 1 404 . 1 . 1 255 255 SER N N 15 114.933 0.024 . 1 . . . . . 255 SER N . 50558 1 405 . 1 . 1 256 256 LYS H H 1 8.114 0.001 . 1 . . . . . 256 LYS H . 50558 1 406 . 1 . 1 256 256 LYS C C 13 176.35 0.026 . 1 . . . . . 256 LYS C . 50558 1 407 . 1 . 1 256 256 LYS CA C 13 56.218 0.022 . 1 . . . . . 256 LYS CA . 50558 1 408 . 1 . 1 256 256 LYS CB C 13 32.971 0.000 . 1 . . . . . 256 LYS CB . 50558 1 409 . 1 . 1 256 256 LYS N N 15 123.564 0.015 . 1 . . . . . 256 LYS N . 50558 1 410 . 1 . 1 257 257 LYS H H 1 8.563 0.003 . 1 . . . . . 257 LYS H . 50558 1 411 . 1 . 1 257 257 LYS C C 13 176.539 0.000 . 1 . . . . . 257 LYS C . 50558 1 412 . 1 . 1 257 257 LYS CA C 13 56.229 0.000 . 1 . . . . . 257 LYS CA . 50558 1 413 . 1 . 1 257 257 LYS N N 15 123.856 0.025 . 1 . . . . . 257 LYS N . 50558 1 414 . 1 . 1 258 258 PRO C C 13 176.95 0.005 . 1 . . . . . 258 PRO C . 50558 1 415 . 1 . 1 258 258 PRO CA C 13 63.085 0.000 . 1 . . . . . 258 PRO CA . 50558 1 416 . 1 . 1 259 259 ARG H H 1 8.44 0.001 . 1 . . . . . 259 ARG H . 50558 1 417 . 1 . 1 259 259 ARG C C 13 176.421 0.007 . 1 . . . . . 259 ARG C . 50558 1 418 . 1 . 1 259 259 ARG CA C 13 56.235 0.015 . 1 . . . . . 259 ARG CA . 50558 1 419 . 1 . 1 259 259 ARG CB C 13 30.847 0.000 . 1 . . . . . 259 ARG CB . 50558 1 420 . 1 . 1 259 259 ARG N N 15 122.277 0.015 . 1 . . . . . 259 ARG N . 50558 1 421 . 1 . 1 260 260 GLN H H 1 8.381 0.002 . 1 . . . . . 260 GLN H . 50558 1 422 . 1 . 1 260 260 GLN C C 13 175.74 0.007 . 1 . . . . . 260 GLN C . 50558 1 423 . 1 . 1 260 260 GLN CA C 13 55.858 0.001 . 1 . . . . . 260 GLN CA . 50558 1 424 . 1 . 1 260 260 GLN CB C 13 29.958 0.000 . 1 . . . . . 260 GLN CB . 50558 1 425 . 1 . 1 260 260 GLN N N 15 122.54 0.010 . 1 . . . . . 260 GLN N . 50558 1 426 . 1 . 1 261 261 LYS H H 1 8.384 0.002 . 1 . . . . . 261 LYS H . 50558 1 427 . 1 . 1 261 261 LYS C C 13 176.333 0.004 . 1 . . . . . 261 LYS C . 50558 1 428 . 1 . 1 261 261 LYS CA C 13 56.575 0.061 . 1 . . . . . 261 LYS CA . 50558 1 429 . 1 . 1 261 261 LYS CB C 13 33.228 0.000 . 1 . . . . . 261 LYS CB . 50558 1 430 . 1 . 1 261 261 LYS N N 15 124.323 0.009 . 1 . . . . . 261 LYS N . 50558 1 431 . 1 . 1 262 262 ARG H H 1 8.457 0.002 . 1 . . . . . 262 ARG H . 50558 1 432 . 1 . 1 262 262 ARG C C 13 175.735 0.004 . 1 . . . . . 262 ARG C . 50558 1 433 . 1 . 1 262 262 ARG CA C 13 56.307 0.015 . 1 . . . . . 262 ARG CA . 50558 1 434 . 1 . 1 262 262 ARG N N 15 124.25 0.019 . 1 . . . . . 262 ARG N . 50558 1 435 . 1 . 1 263 263 THR H H 1 7.772 0.002 . 1 . . . . . 263 THR H . 50558 1 436 . 1 . 1 263 263 THR C C 13 179.205 0.000 . 1 . . . . . 263 THR C . 50558 1 437 . 1 . 1 263 263 THR CA C 13 63.183 0.000 . 1 . . . . . 263 THR CA . 50558 1 438 . 1 . 1 263 263 THR N N 15 121.203 0.006 . 1 . . . . . 263 THR N . 50558 1 stop_ save_