data_51544 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51544 _Entry.Title ; 1H and 15N assignments for [R238A]-NS1B-CTD bound to 16-bp dsRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-02 _Entry.Accession_date 2022-08-02 _Entry.Last_release_date 2022-08-03 _Entry.Original_release_date 2022-08-03 _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 'R238A-NS1 protein from influenza B bound to dsRNA' _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 Ryan Woltz . . . . 51544 2 Gaetano Montelione . . . . 51544 3 Swapna Gurla . . . . 51544 4 Li-Chung Ma . . . . 51544 5 Rachel John . . . . 51544 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 51544 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51544 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 129 51544 '1H chemical shifts' 129 51544 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-08-10 . original BMRB . 51544 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51543 "[R238A]-NS1B-CTD bound to 5'ppp-hp RNA" 51544 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51544 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38328244 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The NS1 protein of influenza B virus binds 5'-triphosphorylated dsRNA to suppress RIG-I activation and the host antiviral response ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ryan Woltz R. . . . 51544 1 2 Brandon Schweibenz B. . . . 51544 1 3 Susan Tsutakawa S. E. . . 51544 1 4 Chen Zhao C. . . . 51544 1 5 LiChung Ma L. . . . 51544 1 6 Ben Shurina B. . . . 51544 1 7 Gregory Hura G. L. . . 51544 1 8 Rachael John R. . . . 51544 1 9 Sergey Vorobiev S. . . . 51544 1 10 Gvt Swapna G. . . . 51544 1 11 Mihai Solotchi M. . . . 51544 1 12 John Tainer J. A. . . 51544 1 13 Robert Krug R. M. . . 51544 1 14 Smita Patel S. S. . . 51544 1 15 Gaetano Montelione G. T. . . 51544 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51544 _Assembly.ID 1 _Assembly.Name R238A-NS1B-CTD_dsRNA _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 25.94 _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 protein 1 $entity_1 . . yes native no no . . . 51544 1 2 RNA 2 $entity_2 . . no native no no . . . 51544 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51544 _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 ; IEVVLRDMNNKDARQKIKDE VNTQKEGKFRLTIKRDIRNV PSLRVLVNGTFLKHPNGDKS LSTLHRLNAYDQNGGLVAKL VATDDLTVEDEKDGHRILNS LFERFDEGHSKPIRAAETAV GVLSQFGQEHRLSPEEGDN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '143, I' _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 139 _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 15.69 _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 P03502 . . . . . . . . . . . . . . . . 51544 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 1 143 ILE . 51544 1 2 144 GLU . 51544 1 3 145 VAL . 51544 1 4 146 VAL . 51544 1 5 147 LEU . 51544 1 6 148 ARG . 51544 1 7 149 ASP . 51544 1 8 150 MET . 51544 1 9 151 ASN . 51544 1 10 152 ASN . 51544 1 11 153 LYS . 51544 1 12 154 ASP . 51544 1 13 155 ALA . 51544 1 14 156 ARG . 51544 1 15 157 GLN . 51544 1 16 158 LYS . 51544 1 17 159 ILE . 51544 1 18 160 LYS . 51544 1 19 161 ASP . 51544 1 20 162 GLU . 51544 1 21 163 VAL . 51544 1 22 164 ASN . 51544 1 23 165 THR . 51544 1 24 166 GLN . 51544 1 25 167 LYS . 51544 1 26 168 GLU . 51544 1 27 169 GLY . 51544 1 28 170 LYS . 51544 1 29 171 PHE . 51544 1 30 172 ARG . 51544 1 31 173 LEU . 51544 1 32 174 THR . 51544 1 33 175 ILE . 51544 1 34 176 LYS . 51544 1 35 177 ARG . 51544 1 36 178 ASP . 51544 1 37 179 ILE . 51544 1 38 180 ARG . 51544 1 39 181 ASN . 51544 1 40 182 VAL . 51544 1 41 183 PRO . 51544 1 42 184 SER . 51544 1 43 185 LEU . 51544 1 44 186 ARG . 51544 1 45 187 VAL . 51544 1 46 188 LEU . 51544 1 47 189 VAL . 51544 1 48 190 ASN . 51544 1 49 191 GLY . 51544 1 50 192 THR . 51544 1 51 193 PHE . 51544 1 52 194 LEU . 51544 1 53 195 LYS . 51544 1 54 196 HIS . 51544 1 55 197 PRO . 51544 1 56 198 ASN . 51544 1 57 199 GLY . 51544 1 58 200 ASP . 51544 1 59 201 LYS . 51544 1 60 202 SER . 51544 1 61 203 LEU . 51544 1 62 204 SER . 51544 1 63 205 THR . 51544 1 64 206 LEU . 51544 1 65 207 HIS . 51544 1 66 208 ARG . 51544 1 67 209 LEU . 51544 1 68 210 ASN . 51544 1 69 211 ALA . 51544 1 70 212 TYR . 51544 1 71 213 ASP . 51544 1 72 214 GLN . 51544 1 73 215 ASN . 51544 1 74 216 GLY . 51544 1 75 217 GLY . 51544 1 76 218 LEU . 51544 1 77 219 VAL . 51544 1 78 220 ALA . 51544 1 79 221 LYS . 51544 1 80 222 LEU . 51544 1 81 223 VAL . 51544 1 82 224 ALA . 51544 1 83 225 THR . 51544 1 84 226 ASP . 51544 1 85 227 ASP . 51544 1 86 228 LEU . 51544 1 87 229 THR . 51544 1 88 230 VAL . 51544 1 89 231 GLU . 51544 1 90 232 ASP . 51544 1 91 233 GLU . 51544 1 92 234 LYS . 51544 1 93 235 ASP . 51544 1 94 236 GLY . 51544 1 95 237 HIS . 51544 1 96 238 ARG . 51544 1 97 239 ILE . 51544 1 98 240 LEU . 51544 1 99 241 ASN . 51544 1 100 242 SER . 51544 1 101 243 LEU . 51544 1 102 244 PHE . 51544 1 103 245 GLU . 51544 1 104 246 ARG . 51544 1 105 247 PHE . 51544 1 106 248 ASP . 51544 1 107 249 GLU . 51544 1 108 250 GLY . 51544 1 109 251 HIS . 51544 1 110 252 SER . 51544 1 111 253 LYS . 51544 1 112 254 PRO . 51544 1 113 255 ILE . 51544 1 114 256 ARG . 51544 1 115 257 ALA . 51544 1 116 258 ALA . 51544 1 117 259 GLU . 51544 1 118 260 THR . 51544 1 119 261 ALA . 51544 1 120 262 VAL . 51544 1 121 263 GLY . 51544 1 122 264 VAL . 51544 1 123 265 LEU . 51544 1 124 266 SER . 51544 1 125 267 GLN . 51544 1 126 268 PHE . 51544 1 127 269 GLY . 51544 1 128 270 GLN . 51544 1 129 271 GLU . 51544 1 130 272 HIS . 51544 1 131 273 ARG . 51544 1 132 274 LEU . 51544 1 133 275 SER . 51544 1 134 276 PRO . 51544 1 135 277 GLU . 51544 1 136 278 GLU . 51544 1 137 279 GLY . 51544 1 138 280 ASP . 51544 1 139 281 ASN . 51544 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 . ILE 1 1 51544 1 . GLU 2 2 51544 1 . VAL 3 3 51544 1 . VAL 4 4 51544 1 . LEU 5 5 51544 1 . ARG 6 6 51544 1 . ASP 7 7 51544 1 . MET 8 8 51544 1 . ASN 9 9 51544 1 . ASN 10 10 51544 1 . LYS 11 11 51544 1 . ASP 12 12 51544 1 . ALA 13 13 51544 1 . ARG 14 14 51544 1 . GLN 15 15 51544 1 . LYS 16 16 51544 1 . ILE 17 17 51544 1 . LYS 18 18 51544 1 . ASP 19 19 51544 1 . GLU 20 20 51544 1 . VAL 21 21 51544 1 . ASN 22 22 51544 1 . THR 23 23 51544 1 . GLN 24 24 51544 1 . LYS 25 25 51544 1 . GLU 26 26 51544 1 . GLY 27 27 51544 1 . LYS 28 28 51544 1 . PHE 29 29 51544 1 . ARG 30 30 51544 1 . LEU 31 31 51544 1 . THR 32 32 51544 1 . ILE 33 33 51544 1 . LYS 34 34 51544 1 . ARG 35 35 51544 1 . ASP 36 36 51544 1 . ILE 37 37 51544 1 . ARG 38 38 51544 1 . ASN 39 39 51544 1 . VAL 40 40 51544 1 . PRO 41 41 51544 1 . SER 42 42 51544 1 . LEU 43 43 51544 1 . ARG 44 44 51544 1 . VAL 45 45 51544 1 . LEU 46 46 51544 1 . VAL 47 47 51544 1 . ASN 48 48 51544 1 . GLY 49 49 51544 1 . THR 50 50 51544 1 . PHE 51 51 51544 1 . LEU 52 52 51544 1 . LYS 53 53 51544 1 . HIS 54 54 51544 1 . PRO 55 55 51544 1 . ASN 56 56 51544 1 . GLY 57 57 51544 1 . ASP 58 58 51544 1 . LYS 59 59 51544 1 . SER 60 60 51544 1 . LEU 61 61 51544 1 . SER 62 62 51544 1 . THR 63 63 51544 1 . LEU 64 64 51544 1 . HIS 65 65 51544 1 . ARG 66 66 51544 1 . LEU 67 67 51544 1 . ASN 68 68 51544 1 . ALA 69 69 51544 1 . TYR 70 70 51544 1 . ASP 71 71 51544 1 . GLN 72 72 51544 1 . ASN 73 73 51544 1 . GLY 74 74 51544 1 . GLY 75 75 51544 1 . LEU 76 76 51544 1 . VAL 77 77 51544 1 . ALA 78 78 51544 1 . LYS 79 79 51544 1 . LEU 80 80 51544 1 . VAL 81 81 51544 1 . ALA 82 82 51544 1 . THR 83 83 51544 1 . ASP 84 84 51544 1 . ASP 85 85 51544 1 . LEU 86 86 51544 1 . THR 87 87 51544 1 . VAL 88 88 51544 1 . GLU 89 89 51544 1 . ASP 90 90 51544 1 . GLU 91 91 51544 1 . LYS 92 92 51544 1 . ASP 93 93 51544 1 . GLY 94 94 51544 1 . HIS 95 95 51544 1 . ARG 96 96 51544 1 . ILE 97 97 51544 1 . LEU 98 98 51544 1 . ASN 99 99 51544 1 . SER 100 100 51544 1 . LEU 101 101 51544 1 . PHE 102 102 51544 1 . GLU 103 103 51544 1 . ARG 104 104 51544 1 . PHE 105 105 51544 1 . ASP 106 106 51544 1 . GLU 107 107 51544 1 . GLY 108 108 51544 1 . HIS 109 109 51544 1 . SER 110 110 51544 1 . LYS 111 111 51544 1 . PRO 112 112 51544 1 . ILE 113 113 51544 1 . ARG 114 114 51544 1 . ALA 115 115 51544 1 . ALA 116 116 51544 1 . GLU 117 117 51544 1 . THR 118 118 51544 1 . ALA 119 119 51544 1 . VAL 120 120 51544 1 . GLY 121 121 51544 1 . VAL 122 122 51544 1 . LEU 123 123 51544 1 . SER 124 124 51544 1 . GLN 125 125 51544 1 . PHE 126 126 51544 1 . GLY 127 127 51544 1 . GLN 128 128 51544 1 . GLU 129 129 51544 1 . HIS 130 130 51544 1 . ARG 131 131 51544 1 . LEU 132 132 51544 1 . SER 133 133 51544 1 . PRO 134 134 51544 1 . GLU 135 135 51544 1 . GLU 136 136 51544 1 . GLY 137 137 51544 1 . ASP 138 138 51544 1 . ASN 139 139 51544 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51544 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CCAUCCUCUACAGGCGCGCC UGUAGAGGAUGG ; _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10.25 _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 . C . 51544 2 2 . C . 51544 2 3 . A . 51544 2 4 . U . 51544 2 5 . C . 51544 2 6 . C . 51544 2 7 . U . 51544 2 8 . C . 51544 2 9 . U . 51544 2 10 . A . 51544 2 11 . C . 51544 2 12 . A . 51544 2 13 . G . 51544 2 14 . G . 51544 2 15 . C . 51544 2 16 . G . 51544 2 17 . C . 51544 2 18 . G . 51544 2 19 . C . 51544 2 20 . C . 51544 2 21 . U . 51544 2 22 . G . 51544 2 23 . U . 51544 2 24 . A . 51544 2 25 . G . 51544 2 26 . A . 51544 2 27 . G . 51544 2 28 . G . 51544 2 29 . A . 51544 2 30 . U . 51544 2 31 . G . 51544 2 32 . G . 51544 2 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 . C 1 1 51544 2 . C 2 2 51544 2 . A 3 3 51544 2 . U 4 4 51544 2 . C 5 5 51544 2 . C 6 6 51544 2 . U 7 7 51544 2 . C 8 8 51544 2 . U 9 9 51544 2 . A 10 10 51544 2 . C 11 11 51544 2 . A 12 12 51544 2 . G 13 13 51544 2 . G 14 14 51544 2 . C 15 15 51544 2 . G 16 16 51544 2 . C 17 17 51544 2 . G 18 18 51544 2 . C 19 19 51544 2 . C 20 20 51544 2 . U 21 21 51544 2 . G 22 22 51544 2 . U 23 23 51544 2 . A 24 24 51544 2 . G 25 25 51544 2 . A 26 26 51544 2 . G 27 27 51544 2 . G 28 28 51544 2 . A 29 29 51544 2 . U 30 30 51544 2 . G 31 31 51544 2 . G 32 32 51544 2 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 51544 _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 . 11520 organism . 'Influenzavirus B' 'Influenza B virus' . . Viruses . Betainfluenzavirus 'Influenza B virus' . . . . . . . . . . . 'Influenzavirus B' . 51544 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 51544 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pSUMO . . . 51544 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . . 51544 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51544 _Sample.ID 1 _Sample.Name '13C,15N R238A-NS1B-CTD + PPP-hpRNA sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; R238A-NS1B-CTD [U-13C; U-15N], 100 uM; PPP-hpRNA 100 uM; sodium chloride 225 mM; calcium chloride 5 mM; arginine 25 mM; sodium azide 0.02%; H2O 90%; D2O 10%. ; _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 R238A-NS1B-CTD(143-281) '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 51544 1 2 'sodium chloride' 'natural abundance' . . . . . . 225 . . mM 1.0 . . . 51544 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51544 1 4 Arginine 'natural abundance' . . . . . . 25 . . mM 1.0 . . . 51544 1 5 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM 1.0 . . . 51544 1 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51544 1 7 16bp-dsRNA 'natural abundance' . . 2 $entity_2 . . 100 . . uM . . . . 51544 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 51544 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details ; NS1B [U-13C; U-15N], 100 uM; dsRNA 100 uM; sodium chloride 225 mM; calcium chloride 5 mM; arginine 25 mM; sodium azide 0.02%; H2O 90%; D2O 10%. ; 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' 0.235 . M 51544 1 pH 5.5 . pH 51544 1 pressure 1 . atm 51544 1 temperature 293 . K 51544 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51544 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1b _Software.DOI . _Software.Details Bruker loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51544 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51544 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 2.1 _Software.DOI . _Software.Details 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51544 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51544 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 3.0 _Software.DOI . _Software.Details Goddard loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 51544 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51544 _Software.ID 4 _Software.Type . _Software.Name AutoAssign _Software.Version 2.4.0 _Software.DOI . _Software.Details 'Zimmerman, Moseley, Kulikowski and Montelione' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51544 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51544 _Software.ID 5 _Software.Type . _Software.Name PINE _Software.Version 1.0 _Software.DOI . _Software.Details 'Bahrami, Markley, Assadi, and Eghbalnia' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51544 5 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 51544 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name A600 _NMR_spectrometer.Details 'Bruker 600MHz NMR spectrometer equipped with 5.0mm cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51544 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name B800 _NMR_spectrometer.Details 'Bruker 600MHz NMR spectrometer equipped with 5.0mm cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51544 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name B600 _NMR_spectrometer.Details 'Bruker 600 MHz NMR spectrometer equipped with 1.7 mm cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51544 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51544 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51544 1 3 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51544 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51544 _Computing_platform.ID 1 _Computing_platform.Name Redhat _Computing_platform.Reference_ID . _Computing_platform.Site 'NMR spectrometer' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ save_computing_platform_2 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_2 _Computing_platform.Entry_ID 51544 _Computing_platform.ID 2 _Computing_platform.Name redhat _Computing_platform.Reference_ID . _Computing_platform.Site 'dell vaio laptop' _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 51544 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details '1H referencing using internal DSS' 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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 51544 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.1013406013 . . . . . 51544 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 51544 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name R238A-NS1B-CTD_PPP-hpRNA _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'spectrum resolution' _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 '1D 1H' . . . 51544 1 2 '2D 1H-15N HSQC' . . . 51544 1 3 '2D 1H-15N TROSY' . . . 51544 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 . . 51544 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 ILE H H 1 8.389 0.02 . 1 . . . . . 143 ILE H . 51544 1 2 . 1 . 1 1 1 ILE N N 15 120.87 0.2 . 1 . . . . . 143 ILE N . 51544 1 3 . 1 . 1 2 2 GLU H H 1 8.397 0.02 . 1 . . . . . 144 GLU H . 51544 1 4 . 1 . 1 2 2 GLU N N 15 124.527 0.2 . 1 . . . . . 144 GLU N . 51544 1 5 . 1 . 1 3 3 VAL H H 1 9.401 0.02 . 1 . . . . . 145 VAL H . 51544 1 6 . 1 . 1 3 3 VAL N N 15 120.332 0.2 . 1 . . . . . 145 VAL N . 51544 1 7 . 1 . 1 4 4 VAL H H 1 8.78 0.02 . 1 . . . . . 146 VAL H . 51544 1 8 . 1 . 1 4 4 VAL N N 15 127.272 0.2 . 1 . . . . . 146 VAL N . 51544 1 9 . 1 . 1 5 5 LEU H H 1 8.904 0.02 . 1 . . . . . 147 LEU H . 51544 1 10 . 1 . 1 5 5 LEU N N 15 129.74 0.2 . 1 . . . . . 147 LEU N . 51544 1 11 . 1 . 1 6 6 ARG H H 1 8.435 0.02 . 1 . . . . . 148 ARG H . 51544 1 12 . 1 . 1 6 6 ARG N N 15 119.106 0.2 . 1 . . . . . 148 ARG N . 51544 1 13 . 1 . 1 7 7 ASP H H 1 8.79 0.02 . 1 . . . . . 149 ASP H . 51544 1 14 . 1 . 1 7 7 ASP N N 15 122.544 0.2 . 1 . . . . . 149 ASP N . 51544 1 15 . 1 . 1 8 8 MET H H 1 9.265 0.02 . 1 . . . . . 150 MET H . 51544 1 16 . 1 . 1 8 8 MET N N 15 118.827 0.2 . 1 . . . . . 150 MET N . 51544 1 17 . 1 . 1 9 9 ASN H H 1 9.094 0.02 . 1 . . . . . 151 ASN H . 51544 1 18 . 1 . 1 9 9 ASN N N 15 120.4 0.2 . 1 . . . . . 151 ASN N . 51544 1 19 . 1 . 1 10 10 ASN H H 1 8.491 0.02 . 1 . . . . . 152 ASN H . 51544 1 20 . 1 . 1 10 10 ASN N N 15 116.87 0.2 . 1 . . . . . 152 ASN N . 51544 1 21 . 1 . 1 11 11 LYS H H 1 8.053 0.02 . 1 . . . . . 153 LYS H . 51544 1 22 . 1 . 1 11 11 LYS N N 15 120.439 0.2 . 1 . . . . . 153 LYS N . 51544 1 23 . 1 . 1 12 12 ASP H H 1 8.547 0.02 . 1 . . . . . 154 ASP H . 51544 1 24 . 1 . 1 12 12 ASP N N 15 121.569 0.2 . 1 . . . . . 154 ASP N . 51544 1 25 . 1 . 1 13 13 ALA H H 1 7.918 0.02 . 1 . . . . . 155 ALA H . 51544 1 26 . 1 . 1 13 13 ALA N N 15 120.158 0.2 . 1 . . . . . 155 ALA N . 51544 1 27 . 1 . 1 14 14 ARG H H 1 7.26 0.02 . 1 . . . . . 156 ARG H . 51544 1 28 . 1 . 1 14 14 ARG N N 15 112.846 0.2 . 1 . . . . . 156 ARG N . 51544 1 29 . 1 . 1 15 15 GLN H H 1 7.246 0.02 . 1 . . . . . 157 GLN H . 51544 1 30 . 1 . 1 15 15 GLN N N 15 122.594 0.2 . 1 . . . . . 157 GLN N . 51544 1 31 . 1 . 1 16 16 LYS H H 1 8.526 0.02 . 1 . . . . . 158 LYS H . 51544 1 32 . 1 . 1 16 16 LYS N N 15 123.734 0.2 . 1 . . . . . 158 LYS N . 51544 1 33 . 1 . 1 17 17 ILE H H 1 8.634 0.02 . 1 . . . . . 159 ILE H . 51544 1 34 . 1 . 1 17 17 ILE N N 15 123.196 0.2 . 1 . . . . . 159 ILE N . 51544 1 35 . 1 . 1 18 18 LYS H H 1 8.642 0.02 . 1 . . . . . 160 LYS H . 51544 1 36 . 1 . 1 18 18 LYS N N 15 128.442 0.2 . 1 . . . . . 160 LYS N . 51544 1 37 . 1 . 1 19 19 ASP H H 1 7.588 0.02 . 1 . . . . . 161 ASP H . 51544 1 38 . 1 . 1 19 19 ASP N N 15 117.361 0.2 . 1 . . . . . 161 ASP N . 51544 1 39 . 1 . 1 20 20 GLU H H 1 8.617 0.02 . 1 . . . . . 162 GLU H . 51544 1 40 . 1 . 1 20 20 GLU N N 15 117.863 0.2 . 1 . . . . . 162 GLU N . 51544 1 41 . 1 . 1 21 21 VAL H H 1 8.535 0.02 . 1 . . . . . 163 VAL H . 51544 1 42 . 1 . 1 21 21 VAL N N 15 114.406 0.2 . 1 . . . . . 163 VAL N . 51544 1 43 . 1 . 1 22 22 ASN H H 1 9.123 0.02 . 1 . . . . . 164 ASN H . 51544 1 44 . 1 . 1 22 22 ASN N N 15 118.551 0.2 . 1 . . . . . 164 ASN N . 51544 1 45 . 1 . 1 23 23 THR H H 1 8.554 0.02 . 1 . . . . . 165 THR H . 51544 1 46 . 1 . 1 23 23 THR N N 15 113.237 0.2 . 1 . . . . . 165 THR N . 51544 1 47 . 1 . 1 24 24 GLN H H 1 8.981 0.02 . 1 . . . . . 166 GLN H . 51544 1 48 . 1 . 1 24 24 GLN N N 15 123.003 0.2 . 1 . . . . . 166 GLN N . 51544 1 49 . 1 . 1 26 26 GLU H H 1 8.13 0.02 . 1 . . . . . 168 GLU H . 51544 1 50 . 1 . 1 26 26 GLU N N 15 123.3 0.2 . 1 . . . . . 168 GLU N . 51544 1 51 . 1 . 1 27 27 GLY H H 1 8.992 0.02 . 1 . . . . . 169 GLY H . 51544 1 52 . 1 . 1 27 27 GLY N N 15 115.978 0.2 . 1 . . . . . 169 GLY N . 51544 1 53 . 1 . 1 28 28 LYS H H 1 9.586 0.02 . 1 . . . . . 170 LYS H . 51544 1 54 . 1 . 1 28 28 LYS N N 15 128.032 0.2 . 1 . . . . . 170 LYS N . 51544 1 55 . 1 . 1 29 29 PHE H H 1 8.498 0.02 . 1 . . . . . 171 PHE H . 51544 1 56 . 1 . 1 29 29 PHE N N 15 115.413 0.2 . 1 . . . . . 171 PHE N . 51544 1 57 . 1 . 1 30 30 ARG H H 1 8.939 0.02 . 1 . . . . . 172 ARG H . 51544 1 58 . 1 . 1 30 30 ARG N N 15 120.827 0.2 . 1 . . . . . 172 ARG N . 51544 1 59 . 1 . 1 31 31 LEU H H 1 9.382 0.02 . 1 . . . . . 173 LEU H . 51544 1 60 . 1 . 1 31 31 LEU N N 15 130.734 0.2 . 1 . . . . . 173 LEU N . 51544 1 61 . 1 . 1 32 32 THR H H 1 9.242 0.02 . 1 . . . . . 174 THR H . 51544 1 62 . 1 . 1 32 32 THR N N 15 124.539 0.2 . 1 . . . . . 174 THR N . 51544 1 63 . 1 . 1 33 33 ILE H H 1 9.071 0.02 . 1 . . . . . 175 ILE H . 51544 1 64 . 1 . 1 33 33 ILE N N 15 123.82 0.2 . 1 . . . . . 175 ILE N . 51544 1 65 . 1 . 1 34 34 LYS H H 1 8.529 0.02 . 1 . . . . . 176 LYS H . 51544 1 66 . 1 . 1 34 34 LYS N N 15 126.456 0.2 . 1 . . . . . 176 LYS N . 51544 1 67 . 1 . 1 35 35 ARG H H 1 8.421 0.02 . 1 . . . . . 177 ARG H . 51544 1 68 . 1 . 1 35 35 ARG N N 15 123.778 0.2 . 1 . . . . . 177 ARG N . 51544 1 69 . 1 . 1 36 36 ASP H H 1 8.416 0.02 . 1 . . . . . 178 ASP H . 51544 1 70 . 1 . 1 36 36 ASP N N 15 117.258 0.2 . 1 . . . . . 178 ASP N . 51544 1 71 . 1 . 1 37 37 ILE H H 1 7.725 0.02 . 1 . . . . . 179 ILE H . 51544 1 72 . 1 . 1 37 37 ILE N N 15 119.4 0.2 . 1 . . . . . 179 ILE N . 51544 1 73 . 1 . 1 38 38 ARG H H 1 8.283 0.02 . 1 . . . . . 180 ARG H . 51544 1 74 . 1 . 1 38 38 ARG N N 15 122.178 0.2 . 1 . . . . . 180 ARG N . 51544 1 75 . 1 . 1 39 39 ASN H H 1 8.209 0.02 . 1 . . . . . 181 ASN H . 51544 1 76 . 1 . 1 39 39 ASN N N 15 113.962 0.2 . 1 . . . . . 181 ASN N . 51544 1 77 . 1 . 1 40 40 VAL H H 1 7.818 0.02 . 1 . . . . . 182 VAL H . 51544 1 78 . 1 . 1 40 40 VAL N N 15 121.989 0.2 . 1 . . . . . 182 VAL N . 51544 1 79 . 1 . 1 42 42 SER H H 1 7.749 0.02 . 1 . . . . . 184 SER H . 51544 1 80 . 1 . 1 42 42 SER N N 15 110.542 0.2 . 1 . . . . . 184 SER N . 51544 1 81 . 1 . 1 43 43 LEU H H 1 8.088 0.02 . 1 . . . . . 185 LEU H . 51544 1 82 . 1 . 1 43 43 LEU N N 15 117.034 0.2 . 1 . . . . . 185 LEU N . 51544 1 83 . 1 . 1 44 44 ARG H H 1 8.956 0.02 . 1 . . . . . 186 ARG H . 51544 1 84 . 1 . 1 44 44 ARG N N 15 124.939 0.2 . 1 . . . . . 186 ARG N . 51544 1 85 . 1 . 1 45 45 VAL H H 1 9.061 0.02 . 1 . . . . . 187 VAL H . 51544 1 86 . 1 . 1 45 45 VAL N N 15 126.343 0.2 . 1 . . . . . 187 VAL N . 51544 1 87 . 1 . 1 46 46 LEU H H 1 9.062 0.02 . 1 . . . . . 188 LEU H . 51544 1 88 . 1 . 1 46 46 LEU N N 15 127.282 0.2 . 1 . . . . . 188 LEU N . 51544 1 89 . 1 . 1 47 47 VAL H H 1 10.341 0.02 . 1 . . . . . 189 VAL H . 51544 1 90 . 1 . 1 47 47 VAL N N 15 122.46 0.2 . 1 . . . . . 189 VAL N . 51544 1 91 . 1 . 1 48 48 ASN H H 1 8.514 0.02 . 1 . . . . . 190 ASN H . 51544 1 92 . 1 . 1 48 48 ASN N N 15 122.89 0.2 . 1 . . . . . 190 ASN N . 51544 1 93 . 1 . 1 50 50 THR H H 1 8.985 0.02 . 1 . . . . . 192 THR H . 51544 1 94 . 1 . 1 50 50 THR N N 15 116.788 0.2 . 1 . . . . . 192 THR N . 51544 1 95 . 1 . 1 51 51 PHE H H 1 9.886 0.02 . 1 . . . . . 193 PHE H . 51544 1 96 . 1 . 1 51 51 PHE N N 15 126.609 0.2 . 1 . . . . . 193 PHE N . 51544 1 97 . 1 . 1 52 52 LEU H H 1 9.121 0.02 . 1 . . . . . 194 LEU H . 51544 1 98 . 1 . 1 52 52 LEU N N 15 121.604 0.2 . 1 . . . . . 194 LEU N . 51544 1 99 . 1 . 1 53 53 LYS H H 1 9.024 0.02 . 1 . . . . . 195 LYS H . 51544 1 100 . 1 . 1 53 53 LYS N N 15 124.85 0.2 . 1 . . . . . 195 LYS N . 51544 1 101 . 1 . 1 54 54 HIS H H 1 9.013 0.02 . 1 . . . . . 196 HIS H . 51544 1 102 . 1 . 1 54 54 HIS N N 15 126.043 0.2 . 1 . . . . . 196 HIS N . 51544 1 103 . 1 . 1 56 56 ASN H H 1 8.107 0.02 . 1 . . . . . 198 ASN H . 51544 1 104 . 1 . 1 56 56 ASN N N 15 114.165 0.2 . 1 . . . . . 198 ASN N . 51544 1 105 . 1 . 1 57 57 GLY H H 1 8.388 0.02 . 1 . . . . . 199 GLY H . 51544 1 106 . 1 . 1 57 57 GLY N N 15 109.146 0.2 . 1 . . . . . 199 GLY N . 51544 1 107 . 1 . 1 58 58 ASP H H 1 8.082 0.02 . 1 . . . . . 200 ASP H . 51544 1 108 . 1 . 1 58 58 ASP N N 15 122.216 0.2 . 1 . . . . . 200 ASP N . 51544 1 109 . 1 . 1 59 59 LYS H H 1 8.637 0.02 . 1 . . . . . 201 LYS H . 51544 1 110 . 1 . 1 59 59 LYS N N 15 119.094 0.2 . 1 . . . . . 201 LYS N . 51544 1 111 . 1 . 1 60 60 SER H H 1 8.846 0.02 . 1 . . . . . 202 SER H . 51544 1 112 . 1 . 1 60 60 SER N N 15 115.63 0.2 . 1 . . . . . 202 SER N . 51544 1 113 . 1 . 1 61 61 LEU H H 1 9.375 0.02 . 1 . . . . . 203 LEU H . 51544 1 114 . 1 . 1 61 61 LEU N N 15 127.563 0.2 . 1 . . . . . 203 LEU N . 51544 1 115 . 1 . 1 62 62 SER H H 1 8.921 0.02 . 1 . . . . . 204 SER H . 51544 1 116 . 1 . 1 62 62 SER N N 15 124.231 0.2 . 1 . . . . . 204 SER N . 51544 1 117 . 1 . 1 63 63 THR H H 1 7.758 0.02 . 1 . . . . . 205 THR H . 51544 1 118 . 1 . 1 63 63 THR N N 15 115.966 0.2 . 1 . . . . . 205 THR N . 51544 1 119 . 1 . 1 64 64 LEU H H 1 9.304 0.02 . 1 . . . . . 206 LEU H . 51544 1 120 . 1 . 1 64 64 LEU N N 15 129.057 0.2 . 1 . . . . . 206 LEU N . 51544 1 121 . 1 . 1 66 66 ARG H H 1 7.843 0.02 . 1 . . . . . 208 ARG H . 51544 1 122 . 1 . 1 66 66 ARG N N 15 112.74 0.2 . 1 . . . . . 208 ARG N . 51544 1 123 . 1 . 1 67 67 LEU H H 1 8.55 0.02 . 1 . . . . . 209 LEU H . 51544 1 124 . 1 . 1 67 67 LEU N N 15 128.403 0.2 . 1 . . . . . 209 LEU N . 51544 1 125 . 1 . 1 68 68 ASN H H 1 9.277 0.02 . 1 . . . . . 210 ASN H . 51544 1 126 . 1 . 1 68 68 ASN N N 15 125.895 0.2 . 1 . . . . . 210 ASN N . 51544 1 127 . 1 . 1 69 69 ALA H H 1 8.391 0.02 . 1 . . . . . 211 ALA H . 51544 1 128 . 1 . 1 69 69 ALA N N 15 121.694 0.2 . 1 . . . . . 211 ALA N . 51544 1 129 . 1 . 1 70 70 TYR H H 1 9.451 0.02 . 1 . . . . . 212 TYR H . 51544 1 130 . 1 . 1 70 70 TYR N N 15 122.158 0.2 . 1 . . . . . 212 TYR N . 51544 1 131 . 1 . 1 71 71 ASP H H 1 9.194 0.02 . 1 . . . . . 213 ASP H . 51544 1 132 . 1 . 1 71 71 ASP N N 15 119.718 0.2 . 1 . . . . . 213 ASP N . 51544 1 133 . 1 . 1 72 72 GLN H H 1 8.831 0.02 . 1 . . . . . 214 GLN H . 51544 1 134 . 1 . 1 72 72 GLN N N 15 117.167 0.2 . 1 . . . . . 214 GLN N . 51544 1 135 . 1 . 1 73 73 ASN H H 1 8.765 0.02 . 1 . . . . . 215 ASN H . 51544 1 136 . 1 . 1 73 73 ASN N N 15 119.903 0.2 . 1 . . . . . 215 ASN N . 51544 1 137 . 1 . 1 74 74 GLY H H 1 8.219 0.02 . 1 . . . . . 216 GLY H . 51544 1 138 . 1 . 1 74 74 GLY N N 15 109.12 0.2 . 1 . . . . . 216 GLY N . 51544 1 139 . 1 . 1 75 75 GLY H H 1 9.26 0.02 . 1 . . . . . 217 GLY H . 51544 1 140 . 1 . 1 75 75 GLY N N 15 112.541 0.2 . 1 . . . . . 217 GLY N . 51544 1 141 . 1 . 1 76 76 LEU H H 1 8.752 0.02 . 1 . . . . . 218 LEU H . 51544 1 142 . 1 . 1 76 76 LEU N N 15 127.243 0.2 . 1 . . . . . 218 LEU N . 51544 1 143 . 1 . 1 78 78 ALA H H 1 7.623 0.02 . 1 . . . . . 220 ALA H . 51544 1 144 . 1 . 1 78 78 ALA N N 15 119.251 0.2 . 1 . . . . . 220 ALA N . 51544 1 145 . 1 . 1 79 79 LYS H H 1 9.031 0.02 . 1 . . . . . 221 LYS H . 51544 1 146 . 1 . 1 79 79 LYS N N 15 117.728 0.2 . 1 . . . . . 221 LYS N . 51544 1 147 . 1 . 1 80 80 LEU H H 1 9.442 0.02 . 1 . . . . . 222 LEU H . 51544 1 148 . 1 . 1 80 80 LEU N N 15 126.058 0.2 . 1 . . . . . 222 LEU N . 51544 1 149 . 1 . 1 81 81 VAL H H 1 8.364 0.02 . 1 . . . . . 223 VAL H . 51544 1 150 . 1 . 1 81 81 VAL N N 15 118.598 0.2 . 1 . . . . . 223 VAL N . 51544 1 151 . 1 . 1 82 82 ALA H H 1 8.499 0.02 . 1 . . . . . 224 ALA H . 51544 1 152 . 1 . 1 82 82 ALA N N 15 120.833 0.2 . 1 . . . . . 224 ALA N . 51544 1 153 . 1 . 1 83 83 THR H H 1 9.27 0.02 . 1 . . . . . 225 THR H . 51544 1 154 . 1 . 1 83 83 THR N N 15 111.635 0.2 . 1 . . . . . 225 THR N . 51544 1 155 . 1 . 1 84 84 ASP H H 1 7.299 0.02 . 1 . . . . . 226 ASP H . 51544 1 156 . 1 . 1 84 84 ASP N N 15 117.614 0.2 . 1 . . . . . 226 ASP N . 51544 1 157 . 1 . 1 85 85 ASP H H 1 8.675 0.02 . 1 . . . . . 227 ASP H . 51544 1 158 . 1 . 1 85 85 ASP N N 15 120.739 0.2 . 1 . . . . . 227 ASP N . 51544 1 159 . 1 . 1 86 86 LEU H H 1 9.058 0.02 . 1 . . . . . 228 LEU H . 51544 1 160 . 1 . 1 86 86 LEU N N 15 120.449 0.2 . 1 . . . . . 228 LEU N . 51544 1 161 . 1 . 1 87 87 THR H H 1 9.788 0.02 . 1 . . . . . 229 THR H . 51544 1 162 . 1 . 1 87 87 THR N N 15 113.188 0.2 . 1 . . . . . 229 THR N . 51544 1 163 . 1 . 1 88 88 VAL H H 1 8.817 0.02 . 1 . . . . . 230 VAL H . 51544 1 164 . 1 . 1 88 88 VAL N N 15 121.057 0.2 . 1 . . . . . 230 VAL N . 51544 1 165 . 1 . 1 89 89 GLU H H 1 8.256 0.02 . 1 . . . . . 231 GLU H . 51544 1 166 . 1 . 1 89 89 GLU N N 15 119.762 0.2 . 1 . . . . . 231 GLU N . 51544 1 167 . 1 . 1 90 90 ASP H H 1 8.04 0.02 . 1 . . . . . 232 ASP H . 51544 1 168 . 1 . 1 90 90 ASP N N 15 116.992 0.2 . 1 . . . . . 232 ASP N . 51544 1 169 . 1 . 1 91 91 GLU H H 1 7.829 0.02 . 1 . . . . . 233 GLU H . 51544 1 170 . 1 . 1 91 91 GLU N N 15 120.7 0.2 . 1 . . . . . 233 GLU N . 51544 1 171 . 1 . 1 92 92 LYS H H 1 8.229 0.02 . 1 . . . . . 234 LYS H . 51544 1 172 . 1 . 1 92 92 LYS N N 15 118.955 0.2 . 1 . . . . . 234 LYS N . 51544 1 173 . 1 . 1 93 93 ASP H H 1 8.197 0.02 . 1 . . . . . 235 ASP H . 51544 1 174 . 1 . 1 93 93 ASP N N 15 121.818 0.2 . 1 . . . . . 235 ASP N . 51544 1 175 . 1 . 1 94 94 GLY H H 1 8.145 0.02 . 1 . . . . . 236 GLY H . 51544 1 176 . 1 . 1 94 94 GLY N N 15 108.317 0.2 . 1 . . . . . 236 GLY N . 51544 1 177 . 1 . 1 95 95 HIS H H 1 8.692 0.02 . 1 . . . . . 237 HIS H . 51544 1 178 . 1 . 1 95 95 HIS N N 15 119.865 0.2 . 1 . . . . . 237 HIS N . 51544 1 179 . 1 . 1 96 96 ARG H H 1 8.148 0.02 . 1 . . . . . 238 ARG H . 51544 1 180 . 1 . 1 96 96 ARG N N 15 118.747 0.2 . 1 . . . . . 238 ARG N . 51544 1 181 . 1 . 1 97 97 ILE H H 1 8.569 0.02 . 1 . . . . . 239 ILE H . 51544 1 182 . 1 . 1 97 97 ILE N N 15 120.985 0.2 . 1 . . . . . 239 ILE N . 51544 1 183 . 1 . 1 98 98 LEU H H 1 7.374 0.02 . 1 . . . . . 240 LEU H . 51544 1 184 . 1 . 1 98 98 LEU N N 15 121.916 0.2 . 1 . . . . . 240 LEU N . 51544 1 185 . 1 . 1 99 99 ASN H H 1 7.85 0.02 . 1 . . . . . 241 ASN H . 51544 1 186 . 1 . 1 99 99 ASN N N 15 119.4 0.2 . 1 . . . . . 241 ASN N . 51544 1 187 . 1 . 1 100 100 SER H H 1 7.708 0.02 . 1 . . . . . 242 SER H . 51544 1 188 . 1 . 1 100 100 SER N N 15 113.51 0.2 . 1 . . . . . 242 SER N . 51544 1 189 . 1 . 1 101 101 LEU H H 1 7.329 0.02 . 1 . . . . . 243 LEU H . 51544 1 190 . 1 . 1 101 101 LEU N N 15 120.512 0.2 . 1 . . . . . 243 LEU N . 51544 1 191 . 1 . 1 102 102 PHE H H 1 7.935 0.02 . 1 . . . . . 244 PHE H . 51544 1 192 . 1 . 1 102 102 PHE N N 15 114.808 0.2 . 1 . . . . . 244 PHE N . 51544 1 193 . 1 . 1 103 103 GLU H H 1 9.039 0.02 . 1 . . . . . 245 GLU H . 51544 1 194 . 1 . 1 103 103 GLU N N 15 120.078 0.2 . 1 . . . . . 245 GLU N . 51544 1 195 . 1 . 1 105 105 PHE H H 1 7.463 0.02 . 1 . . . . . 247 PHE H . 51544 1 196 . 1 . 1 105 105 PHE N N 15 117.362 0.2 . 1 . . . . . 247 PHE N . 51544 1 197 . 1 . 1 106 106 ASP H H 1 8.207 0.02 . 1 . . . . . 248 ASP H . 51544 1 198 . 1 . 1 106 106 ASP N N 15 118.89 0.2 . 1 . . . . . 248 ASP N . 51544 1 199 . 1 . 1 108 108 GLY H H 1 8.3 0.02 . 1 . . . . . 250 GLY H . 51544 1 200 . 1 . 1 108 108 GLY N N 15 108.983 0.2 . 1 . . . . . 250 GLY N . 51544 1 201 . 1 . 1 109 109 HIS H H 1 8.054 0.02 . 1 . . . . . 251 HIS H . 51544 1 202 . 1 . 1 109 109 HIS N N 15 118.667 0.2 . 1 . . . . . 251 HIS N . 51544 1 203 . 1 . 1 110 110 SER H H 1 9.02 0.02 . 1 . . . . . 252 SER H . 51544 1 204 . 1 . 1 110 110 SER N N 15 116.847 0.2 . 1 . . . . . 252 SER N . 51544 1 205 . 1 . 1 111 111 LYS H H 1 8.556 0.02 . 1 . . . . . 253 LYS H . 51544 1 206 . 1 . 1 111 111 LYS N N 15 125.889 0.2 . 1 . . . . . 253 LYS N . 51544 1 207 . 1 . 1 113 113 ILE H H 1 8.237 0.02 . 1 . . . . . 255 ILE H . 51544 1 208 . 1 . 1 113 113 ILE N N 15 121.587 0.2 . 1 . . . . . 255 ILE N . 51544 1 209 . 1 . 1 114 114 ARG H H 1 8.729 0.02 . 1 . . . . . 256 ARG H . 51544 1 210 . 1 . 1 114 114 ARG N N 15 125.311 0.2 . 1 . . . . . 256 ARG N . 51544 1 211 . 1 . 1 115 115 ALA H H 1 8.732 0.02 . 1 . . . . . 257 ALA H . 51544 1 212 . 1 . 1 115 115 ALA N N 15 122.646 0.2 . 1 . . . . . 257 ALA N . 51544 1 213 . 1 . 1 116 116 ALA H H 1 7.811 0.02 . 1 . . . . . 258 ALA H . 51544 1 214 . 1 . 1 116 116 ALA N N 15 123.786 0.2 . 1 . . . . . 258 ALA N . 51544 1 215 . 1 . 1 117 117 GLU H H 1 8.491 0.02 . 1 . . . . . 259 GLU H . 51544 1 216 . 1 . 1 117 117 GLU N N 15 117.267 0.2 . 1 . . . . . 259 GLU N . 51544 1 217 . 1 . 1 118 118 THR H H 1 11.001 0.02 . 1 . . . . . 260 THR H . 51544 1 218 . 1 . 1 118 118 THR N N 15 122.056 0.2 . 1 . . . . . 260 THR N . 51544 1 219 . 1 . 1 119 119 ALA H H 1 8.711 0.02 . 1 . . . . . 261 ALA H . 51544 1 220 . 1 . 1 119 119 ALA N N 15 126.303 0.2 . 1 . . . . . 261 ALA N . 51544 1 221 . 1 . 1 120 120 VAL H H 1 8.667 0.02 . 1 . . . . . 262 VAL H . 51544 1 222 . 1 . 1 120 120 VAL N N 15 119.562 0.2 . 1 . . . . . 262 VAL N . 51544 1 223 . 1 . 1 121 121 GLY H H 1 7.333 0.02 . 1 . . . . . 263 GLY H . 51544 1 224 . 1 . 1 121 121 GLY N N 15 106.207 0.2 . 1 . . . . . 263 GLY N . 51544 1 225 . 1 . 1 122 122 VAL H H 1 7.514 0.02 . 1 . . . . . 264 VAL H . 51544 1 226 . 1 . 1 122 122 VAL N N 15 122.749 0.2 . 1 . . . . . 264 VAL N . 51544 1 227 . 1 . 1 123 123 LEU H H 1 8.93 0.02 . 1 . . . . . 265 LEU H . 51544 1 228 . 1 . 1 123 123 LEU N N 15 118.853 0.2 . 1 . . . . . 265 LEU N . 51544 1 229 . 1 . 1 124 124 SER H H 1 8.347 0.02 . 1 . . . . . 266 SER H . 51544 1 230 . 1 . 1 124 124 SER N N 15 114.016 0.2 . 1 . . . . . 266 SER N . 51544 1 231 . 1 . 1 125 125 GLN H H 1 8.021 0.02 . 1 . . . . . 267 GLN H . 51544 1 232 . 1 . 1 125 125 GLN N N 15 124.475 0.2 . 1 . . . . . 267 GLN N . 51544 1 233 . 1 . 1 126 126 PHE H H 1 7.474 0.02 . 1 . . . . . 268 PHE H . 51544 1 234 . 1 . 1 126 126 PHE N N 15 112.2 0.2 . 1 . . . . . 268 PHE N . 51544 1 235 . 1 . 1 127 127 GLY H H 1 7.912 0.02 . 1 . . . . . 269 GLY H . 51544 1 236 . 1 . 1 127 127 GLY N N 15 109.616 0.2 . 1 . . . . . 269 GLY N . 51544 1 237 . 1 . 1 128 128 GLN H H 1 8.662 0.02 . 1 . . . . . 270 GLN H . 51544 1 238 . 1 . 1 128 128 GLN N N 15 114.034 0.2 . 1 . . . . . 270 GLN N . 51544 1 239 . 1 . 1 129 129 GLU H H 1 9.337 0.02 . 1 . . . . . 271 GLU H . 51544 1 240 . 1 . 1 129 129 GLU N N 15 123.197 0.2 . 1 . . . . . 271 GLU N . 51544 1 241 . 1 . 1 130 130 HIS H H 1 8.457 0.02 . 1 . . . . . 272 HIS H . 51544 1 242 . 1 . 1 130 130 HIS N N 15 117.297 0.2 . 1 . . . . . 272 HIS N . 51544 1 243 . 1 . 1 131 131 ARG H H 1 7.154 0.02 . 1 . . . . . 273 ARG H . 51544 1 244 . 1 . 1 131 131 ARG N N 15 117.39 0.2 . 1 . . . . . 273 ARG N . 51544 1 245 . 1 . 1 132 132 LEU H H 1 7.11 0.02 . 1 . . . . . 274 LEU H . 51544 1 246 . 1 . 1 132 132 LEU N N 15 115.835 0.2 . 1 . . . . . 274 LEU N . 51544 1 247 . 1 . 1 133 133 SER H H 1 8.551 0.02 . 1 . . . . . 275 SER H . 51544 1 248 . 1 . 1 133 133 SER N N 15 118.339 0.2 . 1 . . . . . 275 SER N . 51544 1 249 . 1 . 1 135 135 GLU H H 1 8.625 0.02 . 1 . . . . . 277 GLU H . 51544 1 250 . 1 . 1 135 135 GLU N N 15 121.49 0.2 . 1 . . . . . 277 GLU N . 51544 1 251 . 1 . 1 136 136 GLU H H 1 8.607 0.02 . 1 . . . . . 278 GLU H . 51544 1 252 . 1 . 1 136 136 GLU N N 15 122.303 0.2 . 1 . . . . . 278 GLU N . 51544 1 253 . 1 . 1 137 137 GLY H H 1 8.428 0.02 . 1 . . . . . 279 GLY H . 51544 1 254 . 1 . 1 137 137 GLY N N 15 110.238 0.2 . 1 . . . . . 279 GLY N . 51544 1 255 . 1 . 1 138 138 ASP H H 1 8.286 0.02 . 1 . . . . . 280 ASP H . 51544 1 256 . 1 . 1 138 138 ASP N N 15 120.834 0.2 . 1 . . . . . 280 ASP N . 51544 1 257 . 1 . 1 139 139 ASN H H 1 8.02 0.02 . 1 . . . . . 281 ASN H . 51544 1 258 . 1 . 1 139 139 ASN N N 15 124.014 0.2 . 1 . . . . . 281 ASN N . 51544 1 stop_ save_