data_50618 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50618 _Entry.Title ; 1H 13C 15N assignment of IDR2-domain (176-248) of Nucleocapsid Protein of SARS-CoV 2 in the 1-248 construct ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-04 _Entry.Accession_date 2020-12-04 _Entry.Last_release_date 2020-12-04 _Entry.Original_release_date 2020-12-04 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H 13C 15N assignment of SR domain (176-248) of Nucleocapsid Protein of SARS-CoV 2' _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 Marco Schiavina . . . 0000-0001-8825-8900 50618 2 Letizia Pontoriero . . . 0000-0002-5586-1305 50618 3 'Isabella Caterina' Felli . . . 0000-0002-6018-9090 50618 4 Roberta Pierattelli . . . 0000-0001-7755-0885 50618 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CERM, University of Florence' . 50618 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50618 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 187 50618 '15N chemical shifts' 64 50618 '1H chemical shifts' 62 50618 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 . . 2021-05-25 2020-12-04 update BMRB 'update entry citation' 50618 1 . . 2021-03-11 2020-12-04 original author 'original release' 50618 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50619 'N-arm (1-47) of Nucleocapsid Protein of SARS-CoV 2 in the 1-248 construct' 50618 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50618 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33660218 _Citation.DOI 10.1007/s12104-021-10009-8 _Citation.Full_citation . _Citation.Title ; The highly flexible, disordered regions of the SARS-CoV 2 Nucleocapsid protein within the 1-248 residue construct: sequence specific resonance assignments through NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 1 _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 219 _Citation.Page_last 227 _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 Marco Schiavina . . . . 50618 1 2 Letizia Pontoriero . . . . 50618 1 3 Vladimir Uversky . . . . 50618 1 4 'Isabella Caterina' Felli . . . . 50618 1 5 Roberta Pierattelli . . . . 50618 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '13C direct detection' 50618 1 'Covid 19' 50618 1 IDP 50618 1 NMR 50618 1 'Nucleocapsid protein' 50618 1 'SARS-CoV 2' 50618 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50618 _Assembly.ID 1 _Assembly.Name 'Nucleocapsid protein of SARS-CoV 2: 1-248 construct' _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 'SR-rich Domain' 1 $entity_1 . . yes native no no . . . 50618 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50618 _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 QQGQTVTK ; _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 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P0DTC9 . Nucleoprotein . . . . . . . . . . . . . . 50618 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50618 1 2 . SER . 50618 1 3 . ASP . 50618 1 4 . ASN . 50618 1 5 . GLY . 50618 1 6 . PRO . 50618 1 7 . GLN . 50618 1 8 . ASN . 50618 1 9 . GLN . 50618 1 10 . ARG . 50618 1 11 . ASN . 50618 1 12 . ALA . 50618 1 13 . PRO . 50618 1 14 . ARG . 50618 1 15 . ILE . 50618 1 16 . THR . 50618 1 17 . PHE . 50618 1 18 . GLY . 50618 1 19 . GLY . 50618 1 20 . PRO . 50618 1 21 . SER . 50618 1 22 . ASP . 50618 1 23 . SER . 50618 1 24 . THR . 50618 1 25 . GLY . 50618 1 26 . SER . 50618 1 27 . ASN . 50618 1 28 . GLN . 50618 1 29 . ASN . 50618 1 30 . GLY . 50618 1 31 . GLU . 50618 1 32 . ARG . 50618 1 33 . SER . 50618 1 34 . GLY . 50618 1 35 . ALA . 50618 1 36 . ARG . 50618 1 37 . SER . 50618 1 38 . LYS . 50618 1 39 . GLN . 50618 1 40 . ARG . 50618 1 41 . ARG . 50618 1 42 . PRO . 50618 1 43 . GLN . 50618 1 44 . GLY . 50618 1 45 . LEU . 50618 1 46 . PRO . 50618 1 47 . ASN . 50618 1 48 . ASN . 50618 1 49 . THR . 50618 1 50 . ALA . 50618 1 51 . SER . 50618 1 52 . TRP . 50618 1 53 . PHE . 50618 1 54 . THR . 50618 1 55 . ALA . 50618 1 56 . LEU . 50618 1 57 . THR . 50618 1 58 . GLN . 50618 1 59 . HIS . 50618 1 60 . GLY . 50618 1 61 . LYS . 50618 1 62 . GLU . 50618 1 63 . ASP . 50618 1 64 . LEU . 50618 1 65 . LYS . 50618 1 66 . PHE . 50618 1 67 . PRO . 50618 1 68 . ARG . 50618 1 69 . GLY . 50618 1 70 . GLN . 50618 1 71 . GLY . 50618 1 72 . VAL . 50618 1 73 . PRO . 50618 1 74 . ILE . 50618 1 75 . ASN . 50618 1 76 . THR . 50618 1 77 . ASN . 50618 1 78 . SER . 50618 1 79 . SER . 50618 1 80 . PRO . 50618 1 81 . ASP . 50618 1 82 . ASP . 50618 1 83 . GLN . 50618 1 84 . ILE . 50618 1 85 . GLY . 50618 1 86 . TYR . 50618 1 87 . TYR . 50618 1 88 . ARG . 50618 1 89 . ARG . 50618 1 90 . ALA . 50618 1 91 . THR . 50618 1 92 . ARG . 50618 1 93 . ARG . 50618 1 94 . ILE . 50618 1 95 . ARG . 50618 1 96 . GLY . 50618 1 97 . GLY . 50618 1 98 . ASP . 50618 1 99 . GLY . 50618 1 100 . LYS . 50618 1 101 . MET . 50618 1 102 . LYS . 50618 1 103 . ASP . 50618 1 104 . LEU . 50618 1 105 . SER . 50618 1 106 . PRO . 50618 1 107 . ARG . 50618 1 108 . TRP . 50618 1 109 . TYR . 50618 1 110 . PHE . 50618 1 111 . TYR . 50618 1 112 . TYR . 50618 1 113 . LEU . 50618 1 114 . GLY . 50618 1 115 . THR . 50618 1 116 . GLY . 50618 1 117 . PRO . 50618 1 118 . GLU . 50618 1 119 . ALA . 50618 1 120 . GLY . 50618 1 121 . LEU . 50618 1 122 . PRO . 50618 1 123 . TYR . 50618 1 124 . GLY . 50618 1 125 . ALA . 50618 1 126 . ASN . 50618 1 127 . LYS . 50618 1 128 . ASP . 50618 1 129 . GLY . 50618 1 130 . ILE . 50618 1 131 . ILE . 50618 1 132 . TRP . 50618 1 133 . VAL . 50618 1 134 . ALA . 50618 1 135 . THR . 50618 1 136 . GLU . 50618 1 137 . GLY . 50618 1 138 . ALA . 50618 1 139 . LEU . 50618 1 140 . ASN . 50618 1 141 . THR . 50618 1 142 . PRO . 50618 1 143 . LYS . 50618 1 144 . ASP . 50618 1 145 . HIS . 50618 1 146 . ILE . 50618 1 147 . GLY . 50618 1 148 . THR . 50618 1 149 . ARG . 50618 1 150 . ASN . 50618 1 151 . PRO . 50618 1 152 . ALA . 50618 1 153 . ASN . 50618 1 154 . ASN . 50618 1 155 . ALA . 50618 1 156 . ALA . 50618 1 157 . ILE . 50618 1 158 . VAL . 50618 1 159 . LEU . 50618 1 160 . GLN . 50618 1 161 . LEU . 50618 1 162 . PRO . 50618 1 163 . GLN . 50618 1 164 . GLY . 50618 1 165 . THR . 50618 1 166 . THR . 50618 1 167 . LEU . 50618 1 168 . PRO . 50618 1 169 . LYS . 50618 1 170 . GLY . 50618 1 171 . PHE . 50618 1 172 . TYR . 50618 1 173 . ALA . 50618 1 174 . GLU . 50618 1 175 . GLY . 50618 1 176 . SER . 50618 1 177 . ARG . 50618 1 178 . GLY . 50618 1 179 . GLY . 50618 1 180 . SER . 50618 1 181 . GLN . 50618 1 182 . ALA . 50618 1 183 . SER . 50618 1 184 . SER . 50618 1 185 . ARG . 50618 1 186 . SER . 50618 1 187 . SER . 50618 1 188 . SER . 50618 1 189 . ARG . 50618 1 190 . SER . 50618 1 191 . ARG . 50618 1 192 . ASN . 50618 1 193 . SER . 50618 1 194 . SER . 50618 1 195 . ARG . 50618 1 196 . ASN . 50618 1 197 . SER . 50618 1 198 . THR . 50618 1 199 . PRO . 50618 1 200 . GLY . 50618 1 201 . SER . 50618 1 202 . SER . 50618 1 203 . ARG . 50618 1 204 . GLY . 50618 1 205 . THR . 50618 1 206 . SER . 50618 1 207 . PRO . 50618 1 208 . ALA . 50618 1 209 . ARG . 50618 1 210 . MET . 50618 1 211 . ALA . 50618 1 212 . GLY . 50618 1 213 . ASN . 50618 1 214 . GLY . 50618 1 215 . GLY . 50618 1 216 . ASP . 50618 1 217 . ALA . 50618 1 218 . ALA . 50618 1 219 . LEU . 50618 1 220 . ALA . 50618 1 221 . LEU . 50618 1 222 . LEU . 50618 1 223 . LEU . 50618 1 224 . LEU . 50618 1 225 . ASP . 50618 1 226 . ARG . 50618 1 227 . LEU . 50618 1 228 . ASN . 50618 1 229 . GLN . 50618 1 230 . LEU . 50618 1 231 . GLU . 50618 1 232 . SER . 50618 1 233 . LYS . 50618 1 234 . MET . 50618 1 235 . SER . 50618 1 236 . GLY . 50618 1 237 . LYS . 50618 1 238 . GLY . 50618 1 239 . GLN . 50618 1 240 . GLN . 50618 1 241 . GLN . 50618 1 242 . GLN . 50618 1 243 . GLY . 50618 1 244 . GLN . 50618 1 245 . THR . 50618 1 246 . VAL . 50618 1 247 . THR . 50618 1 248 . LYS . 50618 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 50618 1 . SER 2 2 50618 1 . ASP 3 3 50618 1 . ASN 4 4 50618 1 . GLY 5 5 50618 1 . PRO 6 6 50618 1 . GLN 7 7 50618 1 . ASN 8 8 50618 1 . GLN 9 9 50618 1 . ARG 10 10 50618 1 . ASN 11 11 50618 1 . ALA 12 12 50618 1 . PRO 13 13 50618 1 . ARG 14 14 50618 1 . ILE 15 15 50618 1 . THR 16 16 50618 1 . PHE 17 17 50618 1 . GLY 18 18 50618 1 . GLY 19 19 50618 1 . PRO 20 20 50618 1 . SER 21 21 50618 1 . ASP 22 22 50618 1 . SER 23 23 50618 1 . THR 24 24 50618 1 . GLY 25 25 50618 1 . SER 26 26 50618 1 . ASN 27 27 50618 1 . GLN 28 28 50618 1 . ASN 29 29 50618 1 . GLY 30 30 50618 1 . GLU 31 31 50618 1 . ARG 32 32 50618 1 . SER 33 33 50618 1 . GLY 34 34 50618 1 . ALA 35 35 50618 1 . ARG 36 36 50618 1 . SER 37 37 50618 1 . LYS 38 38 50618 1 . GLN 39 39 50618 1 . ARG 40 40 50618 1 . ARG 41 41 50618 1 . PRO 42 42 50618 1 . GLN 43 43 50618 1 . GLY 44 44 50618 1 . LEU 45 45 50618 1 . PRO 46 46 50618 1 . ASN 47 47 50618 1 . ASN 48 48 50618 1 . THR 49 49 50618 1 . ALA 50 50 50618 1 . SER 51 51 50618 1 . TRP 52 52 50618 1 . PHE 53 53 50618 1 . THR 54 54 50618 1 . ALA 55 55 50618 1 . LEU 56 56 50618 1 . THR 57 57 50618 1 . GLN 58 58 50618 1 . HIS 59 59 50618 1 . GLY 60 60 50618 1 . LYS 61 61 50618 1 . GLU 62 62 50618 1 . ASP 63 63 50618 1 . LEU 64 64 50618 1 . LYS 65 65 50618 1 . PHE 66 66 50618 1 . PRO 67 67 50618 1 . ARG 68 68 50618 1 . GLY 69 69 50618 1 . GLN 70 70 50618 1 . GLY 71 71 50618 1 . VAL 72 72 50618 1 . PRO 73 73 50618 1 . ILE 74 74 50618 1 . ASN 75 75 50618 1 . THR 76 76 50618 1 . ASN 77 77 50618 1 . SER 78 78 50618 1 . SER 79 79 50618 1 . PRO 80 80 50618 1 . ASP 81 81 50618 1 . ASP 82 82 50618 1 . GLN 83 83 50618 1 . ILE 84 84 50618 1 . GLY 85 85 50618 1 . TYR 86 86 50618 1 . TYR 87 87 50618 1 . ARG 88 88 50618 1 . ARG 89 89 50618 1 . ALA 90 90 50618 1 . THR 91 91 50618 1 . ARG 92 92 50618 1 . ARG 93 93 50618 1 . ILE 94 94 50618 1 . ARG 95 95 50618 1 . GLY 96 96 50618 1 . GLY 97 97 50618 1 . ASP 98 98 50618 1 . GLY 99 99 50618 1 . LYS 100 100 50618 1 . MET 101 101 50618 1 . LYS 102 102 50618 1 . ASP 103 103 50618 1 . LEU 104 104 50618 1 . SER 105 105 50618 1 . PRO 106 106 50618 1 . ARG 107 107 50618 1 . TRP 108 108 50618 1 . TYR 109 109 50618 1 . PHE 110 110 50618 1 . TYR 111 111 50618 1 . TYR 112 112 50618 1 . LEU 113 113 50618 1 . GLY 114 114 50618 1 . THR 115 115 50618 1 . GLY 116 116 50618 1 . PRO 117 117 50618 1 . GLU 118 118 50618 1 . ALA 119 119 50618 1 . GLY 120 120 50618 1 . LEU 121 121 50618 1 . PRO 122 122 50618 1 . TYR 123 123 50618 1 . GLY 124 124 50618 1 . ALA 125 125 50618 1 . ASN 126 126 50618 1 . LYS 127 127 50618 1 . ASP 128 128 50618 1 . GLY 129 129 50618 1 . ILE 130 130 50618 1 . ILE 131 131 50618 1 . TRP 132 132 50618 1 . VAL 133 133 50618 1 . ALA 134 134 50618 1 . THR 135 135 50618 1 . GLU 136 136 50618 1 . GLY 137 137 50618 1 . ALA 138 138 50618 1 . LEU 139 139 50618 1 . ASN 140 140 50618 1 . THR 141 141 50618 1 . PRO 142 142 50618 1 . LYS 143 143 50618 1 . ASP 144 144 50618 1 . HIS 145 145 50618 1 . ILE 146 146 50618 1 . GLY 147 147 50618 1 . THR 148 148 50618 1 . ARG 149 149 50618 1 . ASN 150 150 50618 1 . PRO 151 151 50618 1 . ALA 152 152 50618 1 . ASN 153 153 50618 1 . ASN 154 154 50618 1 . ALA 155 155 50618 1 . ALA 156 156 50618 1 . ILE 157 157 50618 1 . VAL 158 158 50618 1 . LEU 159 159 50618 1 . GLN 160 160 50618 1 . LEU 161 161 50618 1 . PRO 162 162 50618 1 . GLN 163 163 50618 1 . GLY 164 164 50618 1 . THR 165 165 50618 1 . THR 166 166 50618 1 . LEU 167 167 50618 1 . PRO 168 168 50618 1 . LYS 169 169 50618 1 . GLY 170 170 50618 1 . PHE 171 171 50618 1 . TYR 172 172 50618 1 . ALA 173 173 50618 1 . GLU 174 174 50618 1 . GLY 175 175 50618 1 . SER 176 176 50618 1 . ARG 177 177 50618 1 . GLY 178 178 50618 1 . GLY 179 179 50618 1 . SER 180 180 50618 1 . GLN 181 181 50618 1 . ALA 182 182 50618 1 . SER 183 183 50618 1 . SER 184 184 50618 1 . ARG 185 185 50618 1 . SER 186 186 50618 1 . SER 187 187 50618 1 . SER 188 188 50618 1 . ARG 189 189 50618 1 . SER 190 190 50618 1 . ARG 191 191 50618 1 . ASN 192 192 50618 1 . SER 193 193 50618 1 . SER 194 194 50618 1 . ARG 195 195 50618 1 . ASN 196 196 50618 1 . SER 197 197 50618 1 . THR 198 198 50618 1 . PRO 199 199 50618 1 . GLY 200 200 50618 1 . SER 201 201 50618 1 . SER 202 202 50618 1 . ARG 203 203 50618 1 . GLY 204 204 50618 1 . THR 205 205 50618 1 . SER 206 206 50618 1 . PRO 207 207 50618 1 . ALA 208 208 50618 1 . ARG 209 209 50618 1 . MET 210 210 50618 1 . ALA 211 211 50618 1 . GLY 212 212 50618 1 . ASN 213 213 50618 1 . GLY 214 214 50618 1 . GLY 215 215 50618 1 . ASP 216 216 50618 1 . ALA 217 217 50618 1 . ALA 218 218 50618 1 . LEU 219 219 50618 1 . ALA 220 220 50618 1 . LEU 221 221 50618 1 . LEU 222 222 50618 1 . LEU 223 223 50618 1 . LEU 224 224 50618 1 . ASP 225 225 50618 1 . ARG 226 226 50618 1 . LEU 227 227 50618 1 . ASN 228 228 50618 1 . GLN 229 229 50618 1 . LEU 230 230 50618 1 . GLU 231 231 50618 1 . SER 232 232 50618 1 . LYS 233 233 50618 1 . MET 234 234 50618 1 . SER 235 235 50618 1 . GLY 236 236 50618 1 . LYS 237 237 50618 1 . GLY 238 238 50618 1 . GLN 239 239 50618 1 . GLN 240 240 50618 1 . GLN 241 241 50618 1 . GLN 242 242 50618 1 . GLY 243 243 50618 1 . GLN 244 244 50618 1 . THR 245 245 50618 1 . VAL 246 246 50618 1 . THR 247 247 50618 1 . LYS 248 248 50618 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 50618 _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 coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS 'COVID-19 virus' . . . . . . . . . . N . 50618 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 50618 _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 . . plasmid . . pET29b(+) . . . 50618 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50618 _Sample.ID 1 _Sample.Name 'SARS-CoV 2 Nucleocapsid protein:1-248 - 3 mm' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Nucleocapsid protein 1-248 construct. ca. 300 uM in 450 mM NaCl, 25 mM TRIS, 0.02% NaN3 pH 6.5 T=298K 3mm tube with 5% D2O ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Nucleocapsid protein of SARS-CoV 2: 1-248 construct' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 50618 1 2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 50618 1 3 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 50618 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% v/v' . . . . 50618 1 5 D2O '[U-100% 2H]' . . . . . . 5 . . '% v/v' . . . . 50618 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50618 _Sample.ID 2 _Sample.Name 'SARS-CoV 2 Nucleocapsid protein:1-248 - 5 mm shigemi' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Nucleocapsid protein 1-248 construct. ca. 300 uM in 450 mM NaCl, 25 mM TRIS, 0.02% NaN3 pH 6.5 T=298K 5mm shigemi tube with 5% D2O ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Nucleocapsid protein of SARS-CoV 2: 1-248 construct' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 50618 2 2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 50618 2 3 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 50618 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% v/v' . . . . 50618 2 5 D2O '[U-100% 2H]' . . . . . . 5 . . '% v/v' . . . . 50618 2 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 50618 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'SARS-CoV 2 Nucleocapsid protein:1-248' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 50618 1 pH 6.5 . pH 50618 1 pressure 1 . atm 50618 1 temperature 298 . K 50618 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50618 _Software.ID 1 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50618 1 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 50618 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details 'cryogenically cooled probeheads optimized for 13C direct detection' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50618 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 1200 _NMR_spectrometer.Details 'cryogenically cooled probeheads optimized for 1H direct detection' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1200 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 50618 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N BEST TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50618 1 2 '2D 13C-15N CON' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50618 1 3 '3D 1H BT-HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50618 1 4 '3D 1H BT-HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50618 1 5 '3D 1H HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50618 1 6 '3D 1H HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50618 1 7 '3D 13C (H)CBCACON' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50618 1 8 '3D 13C (H)CBCANCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50618 1 9 '2D 13C (H)CACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50618 1 10 '2D 13C (H)CBCACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50618 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 50618 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '700 - 1200' _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 carbons' . . . . ppm 0.00 external direct 1 . . . . . 50618 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 50618 1 N 15 DSS nitrogen . . . . ppm 0.00 external indirect 0.101329118 . . . . . 50618 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 50618 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Nucleocapsid protein of SARS-CoV-2 176-248 (SR-domain)' _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 BEST TROSY' . . . 50618 1 2 '2D 13C-15N CON' . . . 50618 1 3 '3D 1H BT-HN(CO)CACB' . . . 50618 1 4 '3D 1H BT-HNCACB' . . . 50618 1 5 '3D 1H HNCO' . . . 50618 1 6 '3D 1H HN(CA)CO' . . . 50618 1 7 '3D 13C (H)CBCACON' . . . 50618 1 8 '3D 13C (H)CBCANCO' . . . 50618 1 9 '2D 13C (H)CACO' . . . 50618 1 10 '2D 13C (H)CBCACO' . . . 50618 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 . . 50618 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 . 1 176 176 SER C C 13 174.779 0.00 . 1 . . . . . 176 SER C . 50618 1 2 . 1 . 1 176 176 SER CA C 13 58.427 0.00 . 1 . . . . . 176 SER CA . 50618 1 3 . 1 . 1 176 176 SER CB C 13 63.867 0.00 . 1 . . . . . 176 SER CB . 50618 1 4 . 1 . 1 177 177 ARG H H 1 8.475 0.00 . 1 . . . . . 177 ARG HN . 50618 1 5 . 1 . 1 177 177 ARG C C 13 176.867 0.00 . 1 . . . . . 177 ARG C . 50618 1 6 . 1 . 1 177 177 ARG CA C 13 56.337 0.00 . 1 . . . . . 177 ARG CA . 50618 1 7 . 1 . 1 177 177 ARG CB C 13 30.491 0.00 . 1 . . . . . 177 ARG CB . 50618 1 8 . 1 . 1 177 177 ARG N N 15 122.515 0.00 . 1 . . . . . 177 ARG N . 50618 1 9 . 1 . 1 178 178 GLY H H 1 8.412 0.00 . 1 . . . . . 178 GLY HN . 50618 1 10 . 1 . 1 178 178 GLY C C 13 174.733 0.00 . 1 . . . . . 178 GLY C . 50618 1 11 . 1 . 1 178 178 GLY CA C 13 45.295 0.00 . 1 . . . . . 178 GLY CA . 50618 1 12 . 1 . 1 178 178 GLY N N 15 109.729 0.00 . 1 . . . . . 178 GLY N . 50618 1 13 . 1 . 1 179 179 GLY H H 1 8.292 0.00 . 1 . . . . . 179 GLY HN . 50618 1 14 . 1 . 1 179 179 GLY C C 13 174.459 0.00 . 1 . . . . . 179 GLY C . 50618 1 15 . 1 . 1 179 179 GLY CA C 13 45.290 0.00 . 1 . . . . . 179 GLY CA . 50618 1 16 . 1 . 1 179 179 GLY N N 15 108.883 0.00 . 1 . . . . . 179 GLY N . 50618 1 17 . 1 . 1 180 180 SER H H 1 8.143 0.00 . 1 . . . . . 180 SER HN . 50618 1 18 . 1 . 1 180 180 SER C C 13 174.908 0.00 . 1 . . . . . 180 SER C . 50618 1 19 . 1 . 1 180 180 SER CA C 13 58.372 0.00 . 1 . . . . . 180 SER CA . 50618 1 20 . 1 . 1 180 180 SER CB C 13 63.854 0.00 . 1 . . . . . 180 SER CB . 50618 1 21 . 1 . 1 180 180 SER N N 15 115.326 0.00 . 1 . . . . . 180 SER N . 50618 1 22 . 1 . 1 181 181 GLN H H 1 8.496 0.00 . 1 . . . . . 181 GLN HN . 50618 1 23 . 1 . 1 181 181 GLN C C 13 176.079 0.00 . 1 . . . . . 181 GLN C . 50618 1 24 . 1 . 1 181 181 GLN CA C 13 55.866 0.00 . 1 . . . . . 181 GLN CA . 50618 1 25 . 1 . 1 181 181 GLN CB C 13 29.084 0.00 . 1 . . . . . 181 GLN CB . 50618 1 26 . 1 . 1 181 181 GLN N N 15 122.090 0.00 . 1 . . . . . 181 GLN N . 50618 1 27 . 1 . 1 182 182 ALA H H 1 8.288 0.00 . 1 . . . . . 182 ALA HN . 50618 1 28 . 1 . 1 182 182 ALA C C 13 178.087 0.00 . 1 . . . . . 182 ALA C . 50618 1 29 . 1 . 1 182 182 ALA CA C 13 52.878 0.00 . 1 . . . . . 182 ALA CA . 50618 1 30 . 1 . 1 182 182 ALA CB C 13 19.053 0.00 . 1 . . . . . 182 ALA CB . 50618 1 31 . 1 . 1 182 182 ALA N N 15 124.751 0.00 . 1 . . . . . 182 ALA N . 50618 1 32 . 1 . 1 183 183 SER H H 1 8.263 0.00 . 1 . . . . . 183 SER HN . 50618 1 33 . 1 . 1 183 183 SER C C 13 174.830 0.00 . 1 . . . . . 183 SER C . 50618 1 34 . 1 . 1 183 183 SER CA C 13 58.476 0.00 . 1 . . . . . 183 SER CA . 50618 1 35 . 1 . 1 183 183 SER CB C 13 63.701 0.00 . 1 . . . . . 183 SER CB . 50618 1 36 . 1 . 1 183 183 SER N N 15 114.651 0.00 . 1 . . . . . 183 SER N . 50618 1 37 . 1 . 1 184 184 SER H H 1 8.291 0.00 . 1 . . . . . 184 SER HN . 50618 1 38 . 1 . 1 184 184 SER C C 13 174.969 0.00 . 1 . . . . . 184 SER C . 50618 1 39 . 1 . 1 184 184 SER CA C 13 58.312 0.00 . 1 . . . . . 184 SER CA . 50618 1 40 . 1 . 1 184 184 SER CB C 13 63.455 0.00 . 1 . . . . . 184 SER CB . 50618 1 41 . 1 . 1 184 184 SER N N 15 117.872 0.00 . 1 . . . . . 184 SER N . 50618 1 42 . 1 . 1 185 185 ARG H H 1 8.428 0.00 . 1 . . . . . 185 ARG HN . 50618 1 43 . 1 . 1 185 185 ARG C C 13 176.605 0.00 . 1 . . . . . 185 ARG C . 50618 1 44 . 1 . 1 185 185 ARG CA C 13 56.002 0.00 . 1 . . . . . 185 ARG CA . 50618 1 45 . 1 . 1 185 185 ARG CB C 13 30.352 0.00 . 1 . . . . . 185 ARG CB . 50618 1 46 . 1 . 1 185 185 ARG N N 15 122.027 0.00 . 1 . . . . . 185 ARG N . 50618 1 47 . 1 . 1 186 186 SER H H 1 8.214 0.00 . 1 . . . . . 186 SER HN . 50618 1 48 . 1 . 1 186 186 SER C C 13 174.913 0.00 . 1 . . . . . 186 SER C . 50618 1 49 . 1 . 1 186 186 SER CA C 13 58.414 0.00 . 1 . . . . . 186 SER CA . 50618 1 50 . 1 . 1 186 186 SER CB C 13 63.763 0.00 . 1 . . . . . 186 SER CB . 50618 1 51 . 1 . 1 186 186 SER N N 15 116.552 0.00 . 1 . . . . . 186 SER N . 50618 1 52 . 1 . 1 187 187 SER H H 1 8.355 0.00 . 1 . . . . . 187 SER HN . 50618 1 53 . 1 . 1 187 187 SER C C 13 174.797 0.00 . 1 . . . . . 187 SER C . 50618 1 54 . 1 . 1 187 187 SER CA C 13 59.179 0.00 . 1 . . . . . 187 SER CA . 50618 1 55 . 1 . 1 187 187 SER CB C 13 63.698 0.00 . 1 . . . . . 187 SER CB . 50618 1 56 . 1 . 1 187 187 SER N N 15 117.593 0.00 . 1 . . . . . 187 SER N . 50618 1 57 . 1 . 1 188 188 SER H H 1 8.152 0.00 . 1 . . . . . 188 SER HN . 50618 1 58 . 1 . 1 188 188 SER C C 13 174.799 0.00 . 1 . . . . . 188 SER C . 50618 1 59 . 1 . 1 188 188 SER CA C 13 58.622 0.00 . 1 . . . . . 188 SER CA . 50618 1 60 . 1 . 1 188 188 SER CB C 13 63.618 0.00 . 1 . . . . . 188 SER CB . 50618 1 61 . 1 . 1 188 188 SER N N 15 117.832 0.00 . 1 . . . . . 188 SER N . 50618 1 62 . 1 . 1 189 189 ARG H H 1 8.280 0.00 . 1 . . . . . 189 ARG HN . 50618 1 63 . 1 . 1 189 189 ARG C C 13 176.574 0.00 . 1 . . . . . 189 ARG C . 50618 1 64 . 1 . 1 189 189 ARG CA C 13 56.267 0.00 . 1 . . . . . 189 ARG CA . 50618 1 65 . 1 . 1 189 189 ARG CB C 13 30.410 0.00 . 1 . . . . . 189 ARG CB . 50618 1 66 . 1 . 1 189 189 ARG N N 15 122.594 0.00 . 1 . . . . . 189 ARG N . 50618 1 67 . 1 . 1 190 190 SER H H 1 8.331 0.00 . 1 . . . . . 190 SER HN . 50618 1 68 . 1 . 1 190 190 SER C C 13 174.728 0.00 . 1 . . . . . 190 SER C . 50618 1 69 . 1 . 1 190 190 SER CA C 13 58.397 0.00 . 1 . . . . . 190 SER CA . 50618 1 70 . 1 . 1 190 190 SER CB C 13 63.696 0.00 . 1 . . . . . 190 SER CB . 50618 1 71 . 1 . 1 190 190 SER N N 15 116.577 0.00 . 1 . . . . . 190 SER N . 50618 1 72 . 1 . 1 191 191 ARG H H 1 8.284 0.00 . 1 . . . . . 191 ARG HN . 50618 1 73 . 1 . 1 191 191 ARG C C 13 176.200 0.00 . 1 . . . . . 191 ARG C . 50618 1 74 . 1 . 1 191 191 ARG CA C 13 56.388 0.00 . 1 . . . . . 191 ARG CA . 50618 1 75 . 1 . 1 191 191 ARG CB C 13 30.552 0.00 . 1 . . . . . 191 ARG CB . 50618 1 76 . 1 . 1 191 191 ARG N N 15 122.719 0.00 . 1 . . . . . 191 ARG N . 50618 1 77 . 1 . 1 192 192 ASN H H 1 8.398 0.00 . 1 . . . . . 192 ASN HN . 50618 1 78 . 1 . 1 192 192 ASN C C 13 175.277 0.00 . 1 . . . . . 192 ASN C . 50618 1 79 . 1 . 1 192 192 ASN CA C 13 53.221 0.00 . 1 . . . . . 192 ASN CA . 50618 1 80 . 1 . 1 192 192 ASN CB C 13 38.832 0.00 . 1 . . . . . 192 ASN CB . 50618 1 81 . 1 . 1 192 192 ASN N N 15 119.425 0.00 . 1 . . . . . 192 ASN N . 50618 1 82 . 1 . 1 193 193 SER H H 1 8.248 0.00 . 1 . . . . . 193 SER HN . 50618 1 83 . 1 . 1 193 193 SER C C 13 174.877 0.00 . 1 . . . . . 193 SER C . 50618 1 84 . 1 . 1 193 193 SER CA C 13 58.401 0.00 . 1 . . . . . 193 SER CA . 50618 1 85 . 1 . 1 193 193 SER CB C 13 63.573 0.00 . 1 . . . . . 193 SER CB . 50618 1 86 . 1 . 1 193 193 SER N N 15 116.290 0.00 . 1 . . . . . 193 SER N . 50618 1 87 . 1 . 1 194 194 SER H H 1 8.323 0.00 . 1 . . . . . 194 SER HN . 50618 1 88 . 1 . 1 194 194 SER C C 13 174.718 0.00 . 1 . . . . . 194 SER C . 50618 1 89 . 1 . 1 194 194 SER CA C 13 58.448 0.00 . 1 . . . . . 194 SER CA . 50618 1 90 . 1 . 1 194 194 SER CB C 13 63.603 0.00 . 1 . . . . . 194 SER CB . 50618 1 91 . 1 . 1 194 194 SER N N 15 117.753 0.00 . 1 . . . . . 194 SER N . 50618 1 92 . 1 . 1 195 195 ARG H H 1 8.290 0.00 . 1 . . . . . 195 ARG HN . 50618 1 93 . 1 . 1 195 195 ARG C C 13 176.150 0.00 . 1 . . . . . 195 ARG C . 50618 1 94 . 1 . 1 195 195 ARG CA C 13 56.352 0.00 . 1 . . . . . 195 ARG CA . 50618 1 95 . 1 . 1 195 195 ARG CB C 13 30.461 0.00 . 1 . . . . . 195 ARG CB . 50618 1 96 . 1 . 1 195 195 ARG N N 15 122.438 0.00 . 1 . . . . . 195 ARG N . 50618 1 97 . 1 . 1 196 196 ASN H H 1 8.402 0.00 . 1 . . . . . 196 ASN HN . 50618 1 98 . 1 . 1 196 196 ASN C C 13 175.138 0.00 . 1 . . . . . 196 ASN C . 50618 1 99 . 1 . 1 196 196 ASN CA C 13 53.050 0.00 . 1 . . . . . 196 ASN CA . 50618 1 100 . 1 . 1 196 196 ASN CB C 13 39.006 0.00 . 1 . . . . . 196 ASN CB . 50618 1 101 . 1 . 1 196 196 ASN N N 15 119.292 0.00 . 1 . . . . . 196 ASN N . 50618 1 102 . 1 . 1 197 197 SER H H 1 8.233 0.00 . 1 . . . . . 197 SER HN . 50618 1 103 . 1 . 1 197 197 SER C C 13 174.305 0.00 . 1 . . . . . 197 SER C . 50618 1 104 . 1 . 1 197 197 SER CA C 13 58.266 0.00 . 1 . . . . . 197 SER CA . 50618 1 105 . 1 . 1 197 197 SER CB C 13 63.890 0.00 . 1 . . . . . 197 SER CB . 50618 1 106 . 1 . 1 197 197 SER N N 15 116.083 0.00 . 1 . . . . . 197 SER N . 50618 1 107 . 1 . 1 198 198 THR H H 1 8.241 0.00 . 1 . . . . . 198 THR HN . 50618 1 108 . 1 . 1 198 198 THR C C 13 173.046 0.00 . 1 . . . . . 198 THR C . 50618 1 109 . 1 . 1 198 198 THR CA C 13 59.868 0.00 . 1 . . . . . 198 THR CA . 50618 1 110 . 1 . 1 198 198 THR CB C 13 69.588 0.00 . 1 . . . . . 198 THR CB . 50618 1 111 . 1 . 1 198 198 THR N N 15 117.691 0.00 . 1 . . . . . 198 THR N . 50618 1 112 . 1 . 1 199 199 PRO C C 13 177.671 0.00 . 1 . . . . . 199 PRO C . 50618 1 113 . 1 . 1 199 199 PRO CA C 13 63.769 0.00 . 1 . . . . . 199 PRO CA . 50618 1 114 . 1 . 1 199 199 PRO CB C 13 31.905 0.00 . 1 . . . . . 199 PRO CB . 50618 1 115 . 1 . 1 199 199 PRO N N 15 139.317 0.00 . 1 . . . . . 199 PRO N . 50618 1 116 . 1 . 1 200 200 GLY H H 1 8.531 0.00 . 1 . . . . . 200 GLY HN . 50618 1 117 . 1 . 1 200 200 GLY C C 13 174.507 0.00 . 1 . . . . . 200 GLY C . 50618 1 118 . 1 . 1 200 200 GLY CA C 13 45.398 0.00 . 1 . . . . . 200 GLY CA . 50618 1 119 . 1 . 1 200 200 GLY N N 15 109.492 0.00 . 1 . . . . . 200 GLY N . 50618 1 120 . 1 . 1 201 201 SER H H 1 8.180 0.00 . 1 . . . . . 201 SER HN . 50618 1 121 . 1 . 1 201 201 SER C C 13 174.890 0.00 . 1 . . . . . 201 SER C . 50618 1 122 . 1 . 1 201 201 SER CA C 13 58.327 0.00 . 1 . . . . . 201 SER CA . 50618 1 123 . 1 . 1 201 201 SER CB C 13 63.938 0.00 . 1 . . . . . 201 SER CB . 50618 1 124 . 1 . 1 201 201 SER N N 15 115.777 0.00 . 1 . . . . . 201 SER N . 50618 1 125 . 1 . 1 202 202 SER H H 1 8.271 0.00 . 1 . . . . . 202 SER HN . 50618 1 126 . 1 . 1 202 202 SER C C 13 174.732 0.00 . 1 . . . . . 202 SER C . 50618 1 127 . 1 . 1 202 202 SER CA C 13 58.560 0.00 . 1 . . . . . 202 SER CA . 50618 1 128 . 1 . 1 202 202 SER CB C 13 63.633 0.00 . 1 . . . . . 202 SER CB . 50618 1 129 . 1 . 1 202 202 SER N N 15 117.853 0.00 . 1 . . . . . 202 SER N . 50618 1 130 . 1 . 1 203 203 ARG H H 1 8.370 0.00 . 1 . . . . . 203 ARG HN . 50618 1 131 . 1 . 1 203 203 ARG C C 13 176.886 0.00 . 1 . . . . . 203 ARG C . 50618 1 132 . 1 . 1 203 203 ARG CA C 13 56.216 0.00 . 1 . . . . . 203 ARG CA . 50618 1 133 . 1 . 1 203 203 ARG CB C 13 30.321 0.00 . 1 . . . . . 203 ARG CB . 50618 1 134 . 1 . 1 203 203 ARG N N 15 122.593 0.00 . 1 . . . . . 203 ARG N . 50618 1 135 . 1 . 1 204 204 GLY H H 1 8.430 0.00 . 1 . . . . . 204 GLY HN . 50618 1 136 . 1 . 1 204 204 GLY C C 13 174.263 0.00 . 1 . . . . . 204 GLY C . 50618 1 137 . 1 . 1 204 204 GLY CA C 13 45.250 0.00 . 1 . . . . . 204 GLY CA . 50618 1 138 . 1 . 1 204 204 GLY N N 15 109.655 0.00 . 1 . . . . . 204 GLY N . 50618 1 139 . 1 . 1 205 205 THR H H 1 8.057 0.00 . 1 . . . . . 205 THR HN . 50618 1 140 . 1 . 1 205 205 THR C C 13 174.514 0.00 . 1 . . . . . 205 THR C . 50618 1 141 . 1 . 1 205 205 THR CA C 13 61.546 0.00 . 1 . . . . . 205 THR CA . 50618 1 142 . 1 . 1 205 205 THR CB C 13 69.869 0.00 . 1 . . . . . 205 THR CB . 50618 1 143 . 1 . 1 205 205 THR N N 15 113.210 0.00 . 1 . . . . . 205 THR N . 50618 1 144 . 1 . 1 206 206 SER H H 1 8.365 0.00 . 1 . . . . . 206 SER HN . 50618 1 145 . 1 . 1 206 206 SER C C 13 172.786 0.00 . 1 . . . . . 206 SER C . 50618 1 146 . 1 . 1 206 206 SER CA C 13 56.555 0.00 . 1 . . . . . 206 SER CA . 50618 1 147 . 1 . 1 206 206 SER CB C 13 63.318 0.00 . 1 . . . . . 206 SER CB . 50618 1 148 . 1 . 1 206 206 SER N N 15 119.501 0.00 . 1 . . . . . 206 SER N . 50618 1 149 . 1 . 1 207 207 PRO C C 13 176.834 0.00 . 1 . . . . . 207 PRO C . 50618 1 150 . 1 . 1 207 207 PRO CA C 13 63.245 0.00 . 1 . . . . . 207 PRO CA . 50618 1 151 . 1 . 1 207 207 PRO CB C 13 31.921 0.00 . 1 . . . . . 207 PRO CB . 50618 1 152 . 1 . 1 207 207 PRO N N 15 138.070 0.00 . 1 . . . . . 207 PRO N . 50618 1 153 . 1 . 1 208 208 ALA H H 1 8.297 0.00 . 1 . . . . . 208 ALA HN . 50618 1 154 . 1 . 1 208 208 ALA C C 13 177.941 0.00 . 1 . . . . . 208 ALA C . 50618 1 155 . 1 . 1 208 208 ALA CA C 13 52.723 0.00 . 1 . . . . . 208 ALA CA . 50618 1 156 . 1 . 1 208 208 ALA CB C 13 19.013 0.00 . 1 . . . . . 208 ALA CB . 50618 1 157 . 1 . 1 208 208 ALA N N 15 123.666 0.00 . 1 . . . . . 208 ALA N . 50618 1 158 . 1 . 1 209 209 ARG H H 1 8.209 0.00 . 1 . . . . . 209 ARG HN . 50618 1 159 . 1 . 1 209 209 ARG C C 13 176.413 0.00 . 1 . . . . . 209 ARG C . 50618 1 160 . 1 . 1 209 209 ARG CA C 13 55.950 0.00 . 1 . . . . . 209 ARG CA . 50618 1 161 . 1 . 1 209 209 ARG CB C 13 30.624 0.00 . 1 . . . . . 209 ARG CB . 50618 1 162 . 1 . 1 209 209 ARG N N 15 119.699 0.00 . 1 . . . . . 209 ARG N . 50618 1 163 . 1 . 1 210 210 MET H H 1 8.315 0.00 . 1 . . . . . 210 MET HN . 50618 1 164 . 1 . 1 210 210 MET C C 13 175.960 0.00 . 1 . . . . . 210 MET C . 50618 1 165 . 1 . 1 210 210 MET CA C 13 55.346 0.00 . 1 . . . . . 210 MET CA . 50618 1 166 . 1 . 1 210 210 MET CB C 13 32.882 0.00 . 1 . . . . . 210 MET CB . 50618 1 167 . 1 . 1 210 210 MET N N 15 121.452 0.00 . 1 . . . . . 210 MET N . 50618 1 168 . 1 . 1 211 211 ALA H H 1 8.304 0.00 . 1 . . . . . 211 ALA HN . 50618 1 169 . 1 . 1 211 211 ALA C C 13 178.178 0.00 . 1 . . . . . 211 ALA C . 50618 1 170 . 1 . 1 211 211 ALA CA C 13 52.569 0.00 . 1 . . . . . 211 ALA CA . 50618 1 171 . 1 . 1 211 211 ALA CB C 13 19.122 0.00 . 1 . . . . . 211 ALA CB . 50618 1 172 . 1 . 1 211 211 ALA N N 15 125.003 0.00 . 1 . . . . . 211 ALA N . 50618 1 173 . 1 . 1 212 212 GLY H H 1 8.370 0.00 . 1 . . . . . 212 GLY HN . 50618 1 174 . 1 . 1 212 212 GLY C C 13 174.174 0.00 . 1 . . . . . 212 GLY C . 50618 1 175 . 1 . 1 212 212 GLY CA C 13 45.295 0.00 . 1 . . . . . 212 GLY CA . 50618 1 176 . 1 . 1 212 212 GLY N N 15 108.109 0.00 . 1 . . . . . 212 GLY N . 50618 1 177 . 1 . 1 213 213 ASN H H 1 8.361 0.00 . 1 . . . . . 213 ASN HN . 50618 1 178 . 1 . 1 213 213 ASN C C 13 175.946 0.00 . 1 . . . . . 213 ASN C . 50618 1 179 . 1 . 1 213 213 ASN CA C 13 53.120 0.00 . 1 . . . . . 213 ASN CA . 50618 1 180 . 1 . 1 213 213 ASN CB C 13 38.996 0.00 . 1 . . . . . 213 ASN CB . 50618 1 181 . 1 . 1 213 213 ASN N N 15 118.562 0.00 . 1 . . . . . 213 ASN N . 50618 1 182 . 1 . 1 214 214 GLY H H 1 8.524 0.00 . 1 . . . . . 214 GLY HN . 50618 1 183 . 1 . 1 214 214 GLY C C 13 174.950 0.00 . 1 . . . . . 214 GLY C . 50618 1 184 . 1 . 1 214 214 GLY CA C 13 45.385 0.00 . 1 . . . . . 214 GLY CA . 50618 1 185 . 1 . 1 214 214 GLY N N 15 109.354 0.00 . 1 . . . . . 214 GLY N . 50618 1 186 . 1 . 1 215 215 GLY H H 1 8.309 0.00 . 1 . . . . . 215 GLY HN . 50618 1 187 . 1 . 1 215 215 GLY C C 13 174.313 0.00 . 1 . . . . . 215 GLY C . 50618 1 188 . 1 . 1 215 215 GLY CA C 13 45.271 0.00 . 1 . . . . . 215 GLY CA . 50618 1 189 . 1 . 1 215 215 GLY N N 15 108.902 0.00 . 1 . . . . . 215 GLY N . 50618 1 190 . 1 . 1 216 216 ASP H H 1 8.282 0.00 . 1 . . . . . 216 ASP HN . 50618 1 191 . 1 . 1 216 216 ASP C C 13 177.102 0.00 . 1 . . . . . 216 ASP C . 50618 1 192 . 1 . 1 216 216 ASP CA C 13 55.189 0.00 . 1 . . . . . 216 ASP CA . 50618 1 193 . 1 . 1 216 216 ASP CB C 13 40.965 0.00 . 1 . . . . . 216 ASP CB . 50618 1 194 . 1 . 1 216 216 ASP N N 15 120.319 0.00 . 1 . . . . . 216 ASP N . 50618 1 195 . 1 . 1 217 217 ALA H H 1 8.369 0.00 . 1 . . . . . 217 ALA HN . 50618 1 196 . 1 . 1 217 217 ALA C C 13 178.718 0.00 . 1 . . . . . 217 ALA C . 50618 1 197 . 1 . 1 217 217 ALA CA C 13 53.296 0.00 . 1 . . . . . 217 ALA CA . 50618 1 198 . 1 . 1 217 217 ALA CB C 13 18.726 0.00 . 1 . . . . . 217 ALA CB . 50618 1 199 . 1 . 1 217 217 ALA N N 15 125.042 0.00 . 1 . . . . . 217 ALA N . 50618 1 200 . 1 . 1 218 218 ALA H H 1 8.067 0.00 . 1 . . . . . 218 ALA HN . 50618 1 201 . 1 . 1 218 218 ALA C C 13 179.456 0.00 . 1 . . . . . 218 ALA C . 50618 1 202 . 1 . 1 218 218 ALA CA C 13 54.104 0.00 . 1 . . . . . 218 ALA CA . 50618 1 203 . 1 . 1 218 218 ALA CB C 13 20.892 0.00 . 1 . . . . . 218 ALA CB . 50618 1 204 . 1 . 1 218 218 ALA N N 15 121.187 0.00 . 1 . . . . . 218 ALA N . 50618 1 205 . 1 . 1 219 219 LEU H H 1 7.911 0.00 . 1 . . . . . 219 LEU HN . 50618 1 206 . 1 . 1 219 219 LEU C C 13 178.254 0.00 . 1 . . . . . 219 LEU C . 50618 1 207 . 1 . 1 219 219 LEU CA C 13 53.936 0.00 . 1 . . . . . 219 LEU CA . 50618 1 208 . 1 . 1 219 219 LEU CB C 13 41.715 0.00 . 1 . . . . . 219 LEU CB . 50618 1 209 . 1 . 1 219 219 LEU N N 15 119.956 0.00 . 1 . . . . . 219 LEU N . 50618 1 210 . 1 . 1 220 220 ALA H H 1 7.960 0.00 . 1 . . . . . 220 ALA HN . 50618 1 211 . 1 . 1 220 220 ALA C C 13 179.247 0.00 . 1 . . . . . 220 ALA C . 50618 1 212 . 1 . 1 220 220 ALA CA C 13 53.884 0.00 . 1 . . . . . 220 ALA CA . 50618 1 213 . 1 . 1 220 220 ALA CB C 13 18.346 0.00 . 1 . . . . . 220 ALA CB . 50618 1 214 . 1 . 1 220 220 ALA N N 15 121.813 0.00 . 1 . . . . . 220 ALA N . 50618 1 215 . 1 . 1 227 227 LEU C C 13 177.254 0.00 . 1 . . . . . 227 LEU C . 50618 1 216 . 1 . 1 227 227 LEU CA C 13 56.084 0.00 . 1 . . . . . 227 LEU CA . 50618 1 217 . 1 . 1 227 227 LEU CB C 13 41.235 0.00 . 1 . . . . . 227 LEU CB . 50618 1 218 . 1 . 1 228 228 ASN H H 1 8.389 0.00 . 1 . . . . . 228 ASN HN . 50618 1 219 . 1 . 1 228 228 ASN C C 13 175.491 0.00 . 1 . . . . . 228 ASN C . 50618 1 220 . 1 . 1 228 228 ASN CA C 13 53.269 0.00 . 1 . . . . . 228 ASN CA . 50618 1 221 . 1 . 1 228 228 ASN CB C 13 41.281 0.00 . 1 . . . . . 228 ASN CB . 50618 1 222 . 1 . 1 228 228 ASN N N 15 119.057 0.00 . 1 . . . . . 228 ASN N . 50618 1 223 . 1 . 1 229 229 GLN H H 1 8.403 0.00 . 1 . . . . . 229 GLN HN . 50618 1 224 . 1 . 1 229 229 GLN CA C 13 56.038 0.00 . 1 . . . . . 229 GLN CA . 50618 1 225 . 1 . 1 229 229 GLN CB C 13 29.096 0.00 . 1 . . . . . 229 GLN CB . 50618 1 226 . 1 . 1 229 229 GLN N N 15 120.355 0.00 . 1 . . . . . 229 GLN N . 50618 1 227 . 1 . 1 231 231 GLU H H 1 8.265 0.00 . 1 . . . . . 231 GLU HN . 50618 1 228 . 1 . 1 231 231 GLU C C 13 176.710 0.00 . 1 . . . . . 231 GLU C . 50618 1 229 . 1 . 1 231 231 GLU CA C 13 56.422 0.00 . 1 . . . . . 231 GLU CA . 50618 1 230 . 1 . 1 231 231 GLU CB C 13 30.236 0.00 . 1 . . . . . 231 GLU CB . 50618 1 231 . 1 . 1 231 231 GLU N N 15 120.355 0.00 . 1 . . . . . 231 GLU N . 50618 1 232 . 1 . 1 232 232 SER H H 1 8.220 0.00 . 1 . . . . . 232 SER HN . 50618 1 233 . 1 . 1 232 232 SER C C 13 174.800 0.00 . 1 . . . . . 232 SER C . 50618 1 234 . 1 . 1 232 232 SER CA C 13 58.418 0.00 . 1 . . . . . 232 SER CA . 50618 1 235 . 1 . 1 232 232 SER CB C 13 63.701 0.00 . 1 . . . . . 232 SER CB . 50618 1 236 . 1 . 1 232 232 SER N N 15 116.418 0.00 . 1 . . . . . 232 SER N . 50618 1 237 . 1 . 1 233 233 LYS H H 1 8.318 0.00 . 1 . . . . . 233 LYS HN . 50618 1 238 . 1 . 1 233 233 LYS C C 13 176.507 0.00 . 1 . . . . . 233 LYS C . 50618 1 239 . 1 . 1 233 233 LYS CA C 13 56.171 0.00 . 1 . . . . . 233 LYS CA . 50618 1 240 . 1 . 1 233 233 LYS CB C 13 30.478 0.00 . 1 . . . . . 233 LYS CB . 50618 1 241 . 1 . 1 233 233 LYS N N 15 122.829 0.00 . 1 . . . . . 233 LYS N . 50618 1 242 . 1 . 1 234 234 MET H H 1 8.256 0.00 . 1 . . . . . 234 MET HN . 50618 1 243 . 1 . 1 234 234 MET C C 13 176.555 0.00 . 1 . . . . . 234 MET C . 50618 1 244 . 1 . 1 234 234 MET CA C 13 55.938 0.00 . 1 . . . . . 234 MET CA . 50618 1 245 . 1 . 1 234 234 MET CB C 13 30.109 0.00 . 1 . . . . . 234 MET CB . 50618 1 246 . 1 . 1 234 234 MET N N 15 121.366 0.00 . 1 . . . . . 234 MET N . 50618 1 247 . 1 . 1 235 235 SER H H 1 8.306 0.00 . 1 . . . . . 235 SER HN . 50618 1 248 . 1 . 1 235 235 SER C C 13 175.229 0.00 . 1 . . . . . 235 SER C . 50618 1 249 . 1 . 1 235 235 SER CA C 13 58.512 0.00 . 1 . . . . . 235 SER CA . 50618 1 250 . 1 . 1 235 235 SER CB C 13 63.708 0.00 . 1 . . . . . 235 SER CB . 50618 1 251 . 1 . 1 235 235 SER N N 15 116.302 0.00 . 1 . . . . . 235 SER N . 50618 1 252 . 1 . 1 236 236 GLY H H 1 8.431 0.00 . 1 . . . . . 236 GLY HN . 50618 1 253 . 1 . 1 236 236 GLY C C 13 174.377 0.00 . 1 . . . . . 236 GLY C . 50618 1 254 . 1 . 1 236 236 GLY CA C 13 45.434 0.00 . 1 . . . . . 236 GLY CA . 50618 1 255 . 1 . 1 236 236 GLY N N 15 111.056 0.00 . 1 . . . . . 236 GLY N . 50618 1 256 . 1 . 1 237 237 LYS H H 1 8.187 0.00 . 1 . . . . . 237 LYS HN . 50618 1 257 . 1 . 1 237 237 LYS C C 13 177.366 0.00 . 1 . . . . . 237 LYS C . 50618 1 258 . 1 . 1 237 237 LYS CA C 13 56.458 0.00 . 1 . . . . . 237 LYS CA . 50618 1 259 . 1 . 1 237 237 LYS CB C 13 32.957 0.00 . 1 . . . . . 237 LYS CB . 50618 1 260 . 1 . 1 237 237 LYS N N 15 120.694 0.00 . 1 . . . . . 237 LYS N . 50618 1 261 . 1 . 1 238 238 GLY H H 1 8.485 0.00 . 1 . . . . . 238 GLY HN . 50618 1 262 . 1 . 1 238 238 GLY C C 13 174.340 0.00 . 1 . . . . . 238 GLY C . 50618 1 263 . 1 . 1 238 238 GLY CA C 13 45.347 0.00 . 1 . . . . . 238 GLY CA . 50618 1 264 . 1 . 1 238 238 GLY N N 15 109.851 0.00 . 1 . . . . . 238 GLY N . 50618 1 265 . 1 . 1 239 239 GLN H H 1 8.244 0.00 . 1 . . . . . 239 GLN HN . 50618 1 266 . 1 . 1 239 239 GLN C C 13 176.181 0.00 . 1 . . . . . 239 GLN C . 50618 1 267 . 1 . 1 239 239 GLN CA C 13 55.786 0.00 . 1 . . . . . 239 GLN CA . 50618 1 268 . 1 . 1 239 239 GLN CB C 13 29.221 0.00 . 1 . . . . . 239 GLN CB . 50618 1 269 . 1 . 1 239 239 GLN N N 15 119.705 0.00 . 1 . . . . . 239 GLN N . 50618 1 270 . 1 . 1 240 240 GLN H H 1 8.468 0.00 . 1 . . . . . 240 GLN HN . 50618 1 271 . 1 . 1 240 240 GLN C C 13 176.104 0.00 . 1 . . . . . 240 GLN C . 50618 1 272 . 1 . 1 240 240 GLN CA C 13 56.013 0.00 . 1 . . . . . 240 GLN CA . 50618 1 273 . 1 . 1 240 240 GLN CB C 13 29.294 0.00 . 1 . . . . . 240 GLN CB . 50618 1 274 . 1 . 1 240 240 GLN N N 15 121.451 0.00 . 1 . . . . . 240 GLN N . 50618 1 275 . 1 . 1 241 241 GLN H H 1 8.332 0.00 . 1 . . . . . 241 GLN HN . 50618 1 276 . 1 . 1 241 241 GLN C C 13 176.245 0.00 . 1 . . . . . 241 GLN C . 50618 1 277 . 1 . 1 241 241 GLN CA C 13 55.847 0.00 . 1 . . . . . 241 GLN CA . 50618 1 278 . 1 . 1 241 241 GLN CB C 13 29.855 0.00 . 1 . . . . . 241 GLN CB . 50618 1 279 . 1 . 1 241 241 GLN N N 15 121.465 0.00 . 1 . . . . . 241 GLN N . 50618 1 280 . 1 . 1 242 242 GLN H H 1 8.461 0.00 . 1 . . . . . 242 GLN HN . 50618 1 281 . 1 . 1 242 242 GLN C C 13 176.421 0.00 . 1 . . . . . 242 GLN C . 50618 1 282 . 1 . 1 242 242 GLN CA C 13 55.946 0.00 . 1 . . . . . 242 GLN CA . 50618 1 283 . 1 . 1 242 242 GLN CB C 13 29.749 0.00 . 1 . . . . . 242 GLN CB . 50618 1 284 . 1 . 1 242 242 GLN N N 15 121.379 0.00 . 1 . . . . . 242 GLN N . 50618 1 285 . 1 . 1 243 243 GLY H H 1 8.362 0.00 . 1 . . . . . 243 GLY HN . 50618 1 286 . 1 . 1 243 243 GLY C C 13 174.067 0.00 . 1 . . . . . 243 GLY C . 50618 1 287 . 1 . 1 243 243 GLY CA C 13 45.296 0.00 . 1 . . . . . 243 GLY CA . 50618 1 288 . 1 . 1 243 243 GLY N N 15 109.912 0.00 . 1 . . . . . 243 GLY N . 50618 1 289 . 1 . 1 244 244 GLN H H 1 8.264 0.00 . 1 . . . . . 244 GLN HN . 50618 1 290 . 1 . 1 244 244 GLN C C 13 176.210 0.00 . 1 . . . . . 244 GLN C . 50618 1 291 . 1 . 1 244 244 GLN CA C 13 55.628 0.00 . 1 . . . . . 244 GLN CA . 50618 1 292 . 1 . 1 244 244 GLN CB C 13 29.591 0.00 . 1 . . . . . 244 GLN CB . 50618 1 293 . 1 . 1 244 244 GLN N N 15 119.747 0.00 . 1 . . . . . 244 GLN N . 50618 1 294 . 1 . 1 245 245 THR H H 1 8.310 0.00 . 1 . . . . . 245 THR HN . 50618 1 295 . 1 . 1 245 245 THR C C 13 174.403 0.00 . 1 . . . . . 245 THR C . 50618 1 296 . 1 . 1 245 245 THR CA C 13 61.969 0.00 . 1 . . . . . 245 THR CA . 50618 1 297 . 1 . 1 245 245 THR CB C 13 69.772 0.00 . 1 . . . . . 245 THR CB . 50618 1 298 . 1 . 1 245 245 THR N N 15 116.528 0.00 . 1 . . . . . 245 THR N . 50618 1 299 . 1 . 1 246 246 VAL H H 1 8.281 0.00 . 1 . . . . . 246 VAL HN . 50618 1 300 . 1 . 1 246 246 VAL C C 13 176.154 0.00 . 1 . . . . . 246 VAL C . 50618 1 301 . 1 . 1 246 246 VAL CA C 13 62.138 0.00 . 1 . . . . . 246 VAL CA . 50618 1 302 . 1 . 1 246 246 VAL CB C 13 32.854 0.00 . 1 . . . . . 246 VAL CB . 50618 1 303 . 1 . 1 246 246 VAL N N 15 123.320 0.00 . 1 . . . . . 246 VAL N . 50618 1 304 . 1 . 1 247 247 THR H H 1 8.321 0.00 . 1 . . . . . 247 THR HN . 50618 1 305 . 1 . 1 247 247 THR C C 13 173.592 0.00 . 1 . . . . . 247 THR C . 50618 1 306 . 1 . 1 247 247 THR CA C 13 61.756 0.00 . 1 . . . . . 247 THR CA . 50618 1 307 . 1 . 1 247 247 THR CB C 13 69.880 0.00 . 1 . . . . . 247 THR CB . 50618 1 308 . 1 . 1 247 247 THR N N 15 119.358 0.00 . 1 . . . . . 247 THR N . 50618 1 309 . 1 . 1 248 248 LYS H H 1 8.022 0.00 . 1 . . . . . 248 LYS HN . 50618 1 310 . 1 . 1 248 248 LYS C C 13 181.185 0.00 . 1 . . . . . 248 LYS C . 50618 1 311 . 1 . 1 248 248 LYS CA C 13 57.774 0.00 . 1 . . . . . 248 LYS CA . 50618 1 312 . 1 . 1 248 248 LYS CB C 13 33.614 0.00 . 1 . . . . . 248 LYS CB . 50618 1 313 . 1 . 1 248 248 LYS N N 15 129.268 0.00 . 1 . . . . . 248 LYS N . 50618 1 stop_ save_