data_26323 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26323 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Paip2A(25-83) in complex with RRM2/3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-04 _Entry.Accession_date 2022-01-17 _Entry.Last_release_date 2022-01-17 _Entry.Original_release_date 2022-01-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Takeru Sagae . . . . 26323 2 Mariko Yokogawa . . . . 26323 3 Masanori Osawa . . . . 26323 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Keio University Faculty of Phamacy Division of Physics for Life Functions' . 26323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 102 26323 '15N chemical shifts' 46 26323 '1H chemical shifts' 46 26323 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 . . 2022-05-11 . original BMRB . 26323 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26314 'Backbone 1H, 13C, 15N and Side chain CB Chemical Shift Assignments for Paip2A' 26323 BMRB 26315 'Backbone 1H, 15N and HA Chemical Shift Assignments for Paip2A(25-83)' 26323 BMRB 26316 'Backbone 1H, 13C, 15N, HA and Side chain 13C Chemical Shift Assignments for RRM2 of PABPC1' 26323 BMRB 26317 'Backbone 1H, 13C, 15N, HA and Side Chain 13C Chemical Shift Assignments for RRM3 of PABPC1' 26323 BMRB 26318 'Backbone 1H, 13C, 15N and CB Chemical Shift Assignments for RRM2/3' 26323 BMRB 26319 'Backbone 1H, 13C, 15N and CB Chemical Shift Assignments for RRM2/3 when in complex with 12mers of adenine' 26323 BMRB 26320 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for RRM2/3 in complex with Paip2A(25-83)' 26323 BMRB 26326 'CA, CB, and CO Chemical Shift Assignments for Paip2A(25-83)' 26323 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26323 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35307347 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Paip2 competitively dissociates PABPC1 from poly(A) by initial access to RRM2 of the poly(A)-bound PABPC1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 298 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 101844 _Citation.Page_last 101844 _Citation.Year 2022 _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 Takeru Sagae . . . . 26323 1 2 Mariko Yokogawa . . . . 26323 1 3 Masanori Osawa . . . . 26323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26323 _Assembly.ID 1 _Assembly.Name Paip2A(25-83)-RRM2/3 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _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 30196.8 _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 'subunit 1' 1 $entity_1 . . yes native no no . . . 26323 1 2 'subunit 2' 2 $entity_2 . . no native no no . . . 26323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26323 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Paip2A(25-83) _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 ; GPLGSHEDDNPFAEYMWMEN EEEFNRQIEEELWEEEFIER CFQEMLEEEEEHEWFIPARD LPQT ; _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 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment Paip2A(25-83) _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7994.58 _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 -5 GLY . 26323 1 2 -4 PRO . 26323 1 3 -3 LEU . 26323 1 4 -2 GLY . 26323 1 5 -1 SER . 26323 1 6 25 HIS . 26323 1 7 26 GLU . 26323 1 8 27 ASP . 26323 1 9 28 ASP . 26323 1 10 29 ASN . 26323 1 11 30 PRO . 26323 1 12 31 PHE . 26323 1 13 32 ALA . 26323 1 14 33 GLU . 26323 1 15 34 TYR . 26323 1 16 35 MET . 26323 1 17 36 TRP . 26323 1 18 37 MET . 26323 1 19 38 GLU . 26323 1 20 39 ASN . 26323 1 21 40 GLU . 26323 1 22 41 GLU . 26323 1 23 42 GLU . 26323 1 24 43 PHE . 26323 1 25 44 ASN . 26323 1 26 45 ARG . 26323 1 27 46 GLN . 26323 1 28 47 ILE . 26323 1 29 48 GLU . 26323 1 30 49 GLU . 26323 1 31 50 GLU . 26323 1 32 51 LEU . 26323 1 33 52 TRP . 26323 1 34 53 GLU . 26323 1 35 54 GLU . 26323 1 36 55 GLU . 26323 1 37 56 PHE . 26323 1 38 57 ILE . 26323 1 39 58 GLU . 26323 1 40 59 ARG . 26323 1 41 60 CYS . 26323 1 42 61 PHE . 26323 1 43 62 GLN . 26323 1 44 63 GLU . 26323 1 45 64 MET . 26323 1 46 65 LEU . 26323 1 47 66 GLU . 26323 1 48 67 GLU . 26323 1 49 68 GLU . 26323 1 50 69 GLU . 26323 1 51 70 GLU . 26323 1 52 71 HIS . 26323 1 53 72 GLU . 26323 1 54 73 TRP . 26323 1 55 74 PHE . 26323 1 56 75 ILE . 26323 1 57 76 PRO . 26323 1 58 77 ALA . 26323 1 59 78 ARG . 26323 1 60 79 ASP . 26323 1 61 80 LEU . 26323 1 62 81 PRO . 26323 1 63 82 GLN . 26323 1 64 83 THR . 26323 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26323 1 . PRO 2 2 26323 1 . LEU 3 3 26323 1 . GLY 4 4 26323 1 . SER 5 5 26323 1 . HIS 6 6 26323 1 . GLU 7 7 26323 1 . ASP 8 8 26323 1 . ASP 9 9 26323 1 . ASN 10 10 26323 1 . PRO 11 11 26323 1 . PHE 12 12 26323 1 . ALA 13 13 26323 1 . GLU 14 14 26323 1 . TYR 15 15 26323 1 . MET 16 16 26323 1 . TRP 17 17 26323 1 . MET 18 18 26323 1 . GLU 19 19 26323 1 . ASN 20 20 26323 1 . GLU 21 21 26323 1 . GLU 22 22 26323 1 . GLU 23 23 26323 1 . PHE 24 24 26323 1 . ASN 25 25 26323 1 . ARG 26 26 26323 1 . GLN 27 27 26323 1 . ILE 28 28 26323 1 . GLU 29 29 26323 1 . GLU 30 30 26323 1 . GLU 31 31 26323 1 . LEU 32 32 26323 1 . TRP 33 33 26323 1 . GLU 34 34 26323 1 . GLU 35 35 26323 1 . GLU 36 36 26323 1 . PHE 37 37 26323 1 . ILE 38 38 26323 1 . GLU 39 39 26323 1 . ARG 40 40 26323 1 . CYS 41 41 26323 1 . PHE 42 42 26323 1 . GLN 43 43 26323 1 . GLU 44 44 26323 1 . MET 45 45 26323 1 . LEU 46 46 26323 1 . GLU 47 47 26323 1 . GLU 48 48 26323 1 . GLU 49 49 26323 1 . GLU 50 50 26323 1 . GLU 51 51 26323 1 . HIS 52 52 26323 1 . GLU 53 53 26323 1 . TRP 54 54 26323 1 . PHE 55 55 26323 1 . ILE 56 56 26323 1 . PRO 57 57 26323 1 . ALA 58 58 26323 1 . ARG 59 59 26323 1 . ASP 60 60 26323 1 . LEU 61 61 26323 1 . PRO 62 62 26323 1 . GLN 63 63 26323 1 . THR 64 64 26323 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 26323 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'RRM2/3 of PABPC1' _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 ; GPLGSNIFIKNLDKSIDNKA LYDTFSAFGNILSCKVVCDE NGSKGYGFVHFETQEAAERA IEKMNGMLLNDRKVFVGRFK SRKEREAELGARAKEFTNVY IKNFGEDMDDERLKDLFGKF GPALSVKVMTDESGKSKGFG FVSFERHEDAQKAVDEMNGK ELNGKQIYVGRAQKKVERQT ELKRKFEQMKQDRIT ; _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 195 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment RRM2/3 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22202.22 _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 -5 GLY . 26323 2 2 -4 PRO . 26323 2 3 -3 LEU . 26323 2 4 -2 GLY . 26323 2 5 -1 SER . 26323 2 6 100 ASN . 26323 2 7 101 ILE . 26323 2 8 102 PHE . 26323 2 9 103 ILE . 26323 2 10 104 LYS . 26323 2 11 105 ASN . 26323 2 12 106 LEU . 26323 2 13 107 ASP . 26323 2 14 108 LYS . 26323 2 15 109 SER . 26323 2 16 110 ILE . 26323 2 17 111 ASP . 26323 2 18 112 ASN . 26323 2 19 113 LYS . 26323 2 20 114 ALA . 26323 2 21 115 LEU . 26323 2 22 116 TYR . 26323 2 23 117 ASP . 26323 2 24 118 THR . 26323 2 25 119 PHE . 26323 2 26 120 SER . 26323 2 27 121 ALA . 26323 2 28 122 PHE . 26323 2 29 123 GLY . 26323 2 30 124 ASN . 26323 2 31 125 ILE . 26323 2 32 126 LEU . 26323 2 33 127 SER . 26323 2 34 128 CYS . 26323 2 35 129 LYS . 26323 2 36 130 VAL . 26323 2 37 131 VAL . 26323 2 38 132 CYS . 26323 2 39 133 ASP . 26323 2 40 134 GLU . 26323 2 41 135 ASN . 26323 2 42 136 GLY . 26323 2 43 137 SER . 26323 2 44 138 LYS . 26323 2 45 139 GLY . 26323 2 46 140 TYR . 26323 2 47 141 GLY . 26323 2 48 142 PHE . 26323 2 49 143 VAL . 26323 2 50 144 HIS . 26323 2 51 145 PHE . 26323 2 52 146 GLU . 26323 2 53 147 THR . 26323 2 54 148 GLN . 26323 2 55 149 GLU . 26323 2 56 150 ALA . 26323 2 57 151 ALA . 26323 2 58 152 GLU . 26323 2 59 153 ARG . 26323 2 60 154 ALA . 26323 2 61 155 ILE . 26323 2 62 156 GLU . 26323 2 63 157 LYS . 26323 2 64 158 MET . 26323 2 65 159 ASN . 26323 2 66 160 GLY . 26323 2 67 161 MET . 26323 2 68 162 LEU . 26323 2 69 163 LEU . 26323 2 70 164 ASN . 26323 2 71 165 ASP . 26323 2 72 166 ARG . 26323 2 73 167 LYS . 26323 2 74 168 VAL . 26323 2 75 169 PHE . 26323 2 76 170 VAL . 26323 2 77 171 GLY . 26323 2 78 172 ARG . 26323 2 79 173 PHE . 26323 2 80 174 LYS . 26323 2 81 175 SER . 26323 2 82 176 ARG . 26323 2 83 177 LYS . 26323 2 84 178 GLU . 26323 2 85 179 ARG . 26323 2 86 180 GLU . 26323 2 87 181 ALA . 26323 2 88 182 GLU . 26323 2 89 183 LEU . 26323 2 90 184 GLY . 26323 2 91 185 ALA . 26323 2 92 186 ARG . 26323 2 93 187 ALA . 26323 2 94 188 LYS . 26323 2 95 189 GLU . 26323 2 96 190 PHE . 26323 2 97 191 THR . 26323 2 98 192 ASN . 26323 2 99 193 VAL . 26323 2 100 194 TYR . 26323 2 101 195 ILE . 26323 2 102 196 LYS . 26323 2 103 197 ASN . 26323 2 104 198 PHE . 26323 2 105 199 GLY . 26323 2 106 200 GLU . 26323 2 107 201 ASP . 26323 2 108 202 MET . 26323 2 109 203 ASP . 26323 2 110 204 ASP . 26323 2 111 205 GLU . 26323 2 112 206 ARG . 26323 2 113 207 LEU . 26323 2 114 208 LYS . 26323 2 115 209 ASP . 26323 2 116 210 LEU . 26323 2 117 211 PHE . 26323 2 118 212 GLY . 26323 2 119 213 LYS . 26323 2 120 214 PHE . 26323 2 121 215 GLY . 26323 2 122 216 PRO . 26323 2 123 217 ALA . 26323 2 124 218 LEU . 26323 2 125 219 SER . 26323 2 126 220 VAL . 26323 2 127 221 LYS . 26323 2 128 222 VAL . 26323 2 129 223 MET . 26323 2 130 224 THR . 26323 2 131 225 ASP . 26323 2 132 226 GLU . 26323 2 133 227 SER . 26323 2 134 228 GLY . 26323 2 135 229 LYS . 26323 2 136 230 SER . 26323 2 137 231 LYS . 26323 2 138 232 GLY . 26323 2 139 233 PHE . 26323 2 140 234 GLY . 26323 2 141 235 PHE . 26323 2 142 236 VAL . 26323 2 143 237 SER . 26323 2 144 238 PHE . 26323 2 145 239 GLU . 26323 2 146 240 ARG . 26323 2 147 241 HIS . 26323 2 148 242 GLU . 26323 2 149 243 ASP . 26323 2 150 244 ALA . 26323 2 151 245 GLN . 26323 2 152 246 LYS . 26323 2 153 247 ALA . 26323 2 154 248 VAL . 26323 2 155 249 ASP . 26323 2 156 250 GLU . 26323 2 157 251 MET . 26323 2 158 252 ASN . 26323 2 159 253 GLY . 26323 2 160 254 LYS . 26323 2 161 255 GLU . 26323 2 162 256 LEU . 26323 2 163 257 ASN . 26323 2 164 258 GLY . 26323 2 165 259 LYS . 26323 2 166 260 GLN . 26323 2 167 261 ILE . 26323 2 168 262 TYR . 26323 2 169 263 VAL . 26323 2 170 264 GLY . 26323 2 171 265 ARG . 26323 2 172 266 ALA . 26323 2 173 267 GLN . 26323 2 174 268 LYS . 26323 2 175 269 LYS . 26323 2 176 270 VAL . 26323 2 177 271 GLU . 26323 2 178 272 ARG . 26323 2 179 273 GLN . 26323 2 180 274 THR . 26323 2 181 275 GLU . 26323 2 182 276 LEU . 26323 2 183 277 LYS . 26323 2 184 278 ARG . 26323 2 185 279 LYS . 26323 2 186 280 PHE . 26323 2 187 281 GLU . 26323 2 188 282 GLN . 26323 2 189 283 MET . 26323 2 190 284 LYS . 26323 2 191 285 GLN . 26323 2 192 286 ASP . 26323 2 193 287 ARG . 26323 2 194 288 ILE . 26323 2 195 289 THR . 26323 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 . GLY 1 1 26323 2 . PRO 2 2 26323 2 . LEU 3 3 26323 2 . GLY 4 4 26323 2 . SER 5 5 26323 2 . ASN 6 6 26323 2 . ILE 7 7 26323 2 . PHE 8 8 26323 2 . ILE 9 9 26323 2 . LYS 10 10 26323 2 . ASN 11 11 26323 2 . LEU 12 12 26323 2 . ASP 13 13 26323 2 . LYS 14 14 26323 2 . SER 15 15 26323 2 . ILE 16 16 26323 2 . ASP 17 17 26323 2 . ASN 18 18 26323 2 . LYS 19 19 26323 2 . ALA 20 20 26323 2 . LEU 21 21 26323 2 . TYR 22 22 26323 2 . ASP 23 23 26323 2 . THR 24 24 26323 2 . PHE 25 25 26323 2 . SER 26 26 26323 2 . ALA 27 27 26323 2 . PHE 28 28 26323 2 . GLY 29 29 26323 2 . ASN 30 30 26323 2 . ILE 31 31 26323 2 . LEU 32 32 26323 2 . SER 33 33 26323 2 . CYS 34 34 26323 2 . LYS 35 35 26323 2 . VAL 36 36 26323 2 . VAL 37 37 26323 2 . CYS 38 38 26323 2 . ASP 39 39 26323 2 . GLU 40 40 26323 2 . ASN 41 41 26323 2 . GLY 42 42 26323 2 . SER 43 43 26323 2 . LYS 44 44 26323 2 . GLY 45 45 26323 2 . TYR 46 46 26323 2 . GLY 47 47 26323 2 . PHE 48 48 26323 2 . VAL 49 49 26323 2 . HIS 50 50 26323 2 . PHE 51 51 26323 2 . GLU 52 52 26323 2 . THR 53 53 26323 2 . GLN 54 54 26323 2 . GLU 55 55 26323 2 . ALA 56 56 26323 2 . ALA 57 57 26323 2 . GLU 58 58 26323 2 . ARG 59 59 26323 2 . ALA 60 60 26323 2 . ILE 61 61 26323 2 . GLU 62 62 26323 2 . LYS 63 63 26323 2 . MET 64 64 26323 2 . ASN 65 65 26323 2 . GLY 66 66 26323 2 . MET 67 67 26323 2 . LEU 68 68 26323 2 . LEU 69 69 26323 2 . ASN 70 70 26323 2 . ASP 71 71 26323 2 . ARG 72 72 26323 2 . LYS 73 73 26323 2 . VAL 74 74 26323 2 . PHE 75 75 26323 2 . VAL 76 76 26323 2 . GLY 77 77 26323 2 . ARG 78 78 26323 2 . PHE 79 79 26323 2 . LYS 80 80 26323 2 . SER 81 81 26323 2 . ARG 82 82 26323 2 . LYS 83 83 26323 2 . GLU 84 84 26323 2 . ARG 85 85 26323 2 . GLU 86 86 26323 2 . ALA 87 87 26323 2 . GLU 88 88 26323 2 . LEU 89 89 26323 2 . GLY 90 90 26323 2 . ALA 91 91 26323 2 . ARG 92 92 26323 2 . ALA 93 93 26323 2 . LYS 94 94 26323 2 . GLU 95 95 26323 2 . PHE 96 96 26323 2 . THR 97 97 26323 2 . ASN 98 98 26323 2 . VAL 99 99 26323 2 . TYR 100 100 26323 2 . ILE 101 101 26323 2 . LYS 102 102 26323 2 . ASN 103 103 26323 2 . PHE 104 104 26323 2 . GLY 105 105 26323 2 . GLU 106 106 26323 2 . ASP 107 107 26323 2 . MET 108 108 26323 2 . ASP 109 109 26323 2 . ASP 110 110 26323 2 . GLU 111 111 26323 2 . ARG 112 112 26323 2 . LEU 113 113 26323 2 . LYS 114 114 26323 2 . ASP 115 115 26323 2 . LEU 116 116 26323 2 . PHE 117 117 26323 2 . GLY 118 118 26323 2 . LYS 119 119 26323 2 . PHE 120 120 26323 2 . GLY 121 121 26323 2 . PRO 122 122 26323 2 . ALA 123 123 26323 2 . LEU 124 124 26323 2 . SER 125 125 26323 2 . VAL 126 126 26323 2 . LYS 127 127 26323 2 . VAL 128 128 26323 2 . MET 129 129 26323 2 . THR 130 130 26323 2 . ASP 131 131 26323 2 . GLU 132 132 26323 2 . SER 133 133 26323 2 . GLY 134 134 26323 2 . LYS 135 135 26323 2 . SER 136 136 26323 2 . LYS 137 137 26323 2 . GLY 138 138 26323 2 . PHE 139 139 26323 2 . GLY 140 140 26323 2 . PHE 141 141 26323 2 . VAL 142 142 26323 2 . SER 143 143 26323 2 . PHE 144 144 26323 2 . GLU 145 145 26323 2 . ARG 146 146 26323 2 . HIS 147 147 26323 2 . GLU 148 148 26323 2 . ASP 149 149 26323 2 . ALA 150 150 26323 2 . GLN 151 151 26323 2 . LYS 152 152 26323 2 . ALA 153 153 26323 2 . VAL 154 154 26323 2 . ASP 155 155 26323 2 . GLU 156 156 26323 2 . MET 157 157 26323 2 . ASN 158 158 26323 2 . GLY 159 159 26323 2 . LYS 160 160 26323 2 . GLU 161 161 26323 2 . LEU 162 162 26323 2 . ASN 163 163 26323 2 . GLY 164 164 26323 2 . LYS 165 165 26323 2 . GLN 166 166 26323 2 . ILE 167 167 26323 2 . TYR 168 168 26323 2 . VAL 169 169 26323 2 . GLY 170 170 26323 2 . ARG 171 171 26323 2 . ALA 172 172 26323 2 . GLN 173 173 26323 2 . LYS 174 174 26323 2 . LYS 175 175 26323 2 . VAL 176 176 26323 2 . GLU 177 177 26323 2 . ARG 178 178 26323 2 . GLN 179 179 26323 2 . THR 180 180 26323 2 . GLU 181 181 26323 2 . LEU 182 182 26323 2 . LYS 183 183 26323 2 . ARG 184 184 26323 2 . LYS 185 185 26323 2 . PHE 186 186 26323 2 . GLU 187 187 26323 2 . GLN 188 188 26323 2 . MET 189 189 26323 2 . LYS 190 190 26323 2 . GLN 191 191 26323 2 . ASP 192 192 26323 2 . ARG 193 193 26323 2 . ILE 194 194 26323 2 . THR 195 195 26323 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 26323 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26323 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26323 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 26323 _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' . . 562 . . . . . plasmid . . pGEX-6p-1 . . . 26323 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 . . . . . plasmid . . pGEX-6p-1 . . . 26323 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26323 _Sample.ID 1 _Sample.Name Paip2A(25-83)-RRM2/3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Paip2A(25-83) '[U-13C; U-15N; U-2H]' 1 $assembly_1 1 $entity_1 . protein 826 . . uM . . . . 26323 1 2 'RRM2/3 of PABPC1' 'natural abundance' 1 $assembly_1 2 $entity_2 . protein 1032.5 . . uM . . . . 26323 1 3 'potassium phosphate' 'natural abundance' . . . . . buffer 18 . . mM . . . . 26323 1 4 'sodium chloride' 'natural abundance' . . . . . salt 90 . . mM . . . . 26323 1 5 DTT 'natural abundance' . . . . . . 0.9 . . mM . . . . 26323 1 6 D2O '[U-100% 2H]' . . . . . solvent 10 . . % . . . . 26323 1 7 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26323 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 26323 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Phosphate buffer' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 26323 1 temperature 298.15 . K 26323 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26323 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26323 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26323 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.8 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26323 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 26323 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800US2' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26323 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26323 1 2 '3D TROSY-HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26323 1 3 '3D TROSY-HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26323 1 4 '3D TROSY-HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26323 1 5 '3D TROSY-HN(COCA)CB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26323 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 26323 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26323 1 H 1 DSS 'methyl protons' . . . . ppm -0.05943 external direct 1.000000000 . . . . . 26323 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26323 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 26323 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shifts for Paip2A(25-83) bound to RRM2/3' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' 1 $sample_1 isotropic 26323 1 2 '3D TROSY-HNCA' 1 $sample_1 isotropic 26323 1 3 '3D TROSY-HN(CO)CA' 1 $sample_1 isotropic 26323 1 4 '3D TROSY-HNCACB' 1 $sample_1 isotropic 26323 1 5 '3D TROSY-HN(COCA)CB' 1 $sample_1 isotropic 26323 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 . . 26323 1 2 $software_2 . . 26323 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO CA C 13 62.72 0.000 . 1 . . . . . -4 PRO CA . 26323 1 2 . 1 . 1 2 2 PRO CB C 13 31.381 0.000 . 1 . . . . . -4 PRO CB . 26323 1 3 . 1 . 1 3 3 LEU H H 1 8.487 0.018 . 1 . . . . . -3 LEU H . 26323 1 4 . 1 . 1 3 3 LEU CA C 13 55.062 0.024 . 1 . . . . . -3 LEU CA . 26323 1 5 . 1 . 1 3 3 LEU CB C 13 41.192 0.009 . 1 . . . . . -3 LEU CB . 26323 1 6 . 1 . 1 3 3 LEU N N 15 122.813 0.073 . 1 . . . . . -3 LEU N . 26323 1 7 . 1 . 1 4 4 GLY H H 1 8.382 0.020 . 1 . . . . . -2 GLY H . 26323 1 8 . 1 . 1 4 4 GLY CA C 13 44.83 0.007 . 1 . . . . . -2 GLY CA . 26323 1 9 . 1 . 1 4 4 GLY N N 15 110.558 0.065 . 1 . . . . . -2 GLY N . 26323 1 10 . 1 . 1 5 5 SER H H 1 8.094 0.022 . 1 . . . . . -1 SER H . 26323 1 11 . 1 . 1 5 5 SER CA C 13 57.789 0.012 . 1 . . . . . -1 SER CA . 26323 1 12 . 1 . 1 5 5 SER CB C 13 63.229 0.026 . 1 . . . . . -1 SER CB . 26323 1 13 . 1 . 1 5 5 SER N N 15 116.065 0.055 . 1 . . . . . -1 SER N . 26323 1 14 . 1 . 1 6 6 HIS H H 1 8.577 0.017 . 1 . . . . . 25 HIS H . 26323 1 15 . 1 . 1 6 6 HIS CA C 13 55.236 0.017 . 1 . . . . . 25 HIS CA . 26323 1 16 . 1 . 1 6 6 HIS CB C 13 28.411 0.058 . 1 . . . . . 25 HIS CB . 26323 1 17 . 1 . 1 6 6 HIS N N 15 120.904 0.048 . 1 . . . . . 25 HIS N . 26323 1 18 . 1 . 1 7 7 GLU H H 1 8.415 0.019 . 1 . . . . . 26 GLU H . 26323 1 19 . 1 . 1 7 7 GLU CA C 13 56.417 0.020 . 1 . . . . . 26 GLU CA . 26323 1 20 . 1 . 1 7 7 GLU CB C 13 29.411 0.056 . 1 . . . . . 26 GLU CB . 26323 1 21 . 1 . 1 7 7 GLU N N 15 122.638 0.054 . 1 . . . . . 26 GLU N . 26323 1 22 . 1 . 1 8 8 ASP H H 1 8.337 0.018 . 1 . . . . . 27 ASP H . 26323 1 23 . 1 . 1 8 8 ASP CA C 13 54.023 0.023 . 1 . . . . . 27 ASP CA . 26323 1 24 . 1 . 1 8 8 ASP CB C 13 40.674 0.021 . 1 . . . . . 27 ASP CB . 26323 1 25 . 1 . 1 8 8 ASP N N 15 121.243 0.053 . 1 . . . . . 27 ASP N . 26323 1 26 . 1 . 1 9 9 ASP H H 1 8.107 0.022 . 1 . . . . . 28 ASP H . 26323 1 27 . 1 . 1 9 9 ASP CA C 13 53.959 0.040 . 1 . . . . . 28 ASP CA . 26323 1 28 . 1 . 1 9 9 ASP CB C 13 40.328 0.105 . 1 . . . . . 28 ASP CB . 26323 1 29 . 1 . 1 9 9 ASP N N 15 121.226 0.067 . 1 . . . . . 28 ASP N . 26323 1 30 . 1 . 1 10 10 ASN H H 1 8.226 0.018 . 1 . . . . . 29 ASN H . 26323 1 31 . 1 . 1 10 10 ASN CA C 13 50.186 0.000 . 1 . . . . . 29 ASN CA . 26323 1 32 . 1 . 1 10 10 ASN CB C 13 38.275 0.000 . 1 . . . . . 29 ASN CB . 26323 1 33 . 1 . 1 10 10 ASN N N 15 118.99 0.060 . 1 . . . . . 29 ASN N . 26323 1 34 . 1 . 1 11 11 PRO CA C 13 58.702 0.020 . 1 . . . . . 30 PRO CA . 26323 1 35 . 1 . 1 11 11 PRO CB C 13 32.682 0.000 . 1 . . . . . 30 PRO CB . 26323 1 36 . 1 . 1 12 12 PHE H H 1 8.271 0.023 . 1 . . . . . 31 PHE H . 26323 1 37 . 1 . 1 12 12 PHE CA C 13 57.357 0.000 . 1 . . . . . 31 PHE CA . 26323 1 38 . 1 . 1 12 12 PHE CB C 13 38.932 0.000 . 1 . . . . . 31 PHE CB . 26323 1 39 . 1 . 1 12 12 PHE N N 15 121.803 0.068 . 1 . . . . . 31 PHE N . 26323 1 40 . 1 . 1 13 13 ALA H H 1 7.277 0.025 . 1 . . . . . 32 ALA H . 26323 1 41 . 1 . 1 13 13 ALA CA C 13 55.955 0.000 . 1 . . . . . 32 ALA CA . 26323 1 42 . 1 . 1 13 13 ALA CB C 13 19.461 0.000 . 1 . . . . . 32 ALA CB . 26323 1 43 . 1 . 1 13 13 ALA N N 15 124.461 0.047 . 1 . . . . . 32 ALA N . 26323 1 44 . 1 . 1 14 14 GLU H H 1 7.844 0.019 . 1 . . . . . 33 GLU H . 26323 1 45 . 1 . 1 14 14 GLU CA C 13 57.379 0.006 . 1 . . . . . 33 GLU CA . 26323 1 46 . 1 . 1 14 14 GLU CB C 13 25.813 0.018 . 1 . . . . . 33 GLU CB . 26323 1 47 . 1 . 1 14 14 GLU N N 15 119.099 0.091 . 1 . . . . . 33 GLU N . 26323 1 48 . 1 . 1 15 15 TYR H H 1 7.777 0.018 . 1 . . . . . 34 TYR H . 26323 1 49 . 1 . 1 15 15 TYR CA C 13 55.859 0.074 . 1 . . . . . 34 TYR CA . 26323 1 50 . 1 . 1 15 15 TYR CB C 13 39.572 0.021 . 1 . . . . . 34 TYR CB . 26323 1 51 . 1 . 1 15 15 TYR N N 15 116.221 0.089 . 1 . . . . . 34 TYR N . 26323 1 52 . 1 . 1 16 16 MET H H 1 7.102 0.020 . 1 . . . . . 35 MET H . 26323 1 53 . 1 . 1 16 16 MET CA C 13 56.956 0.041 . 1 . . . . . 35 MET CA . 26323 1 54 . 1 . 1 16 16 MET CB C 13 30.13 0.006 . 1 . . . . . 35 MET CB . 26323 1 55 . 1 . 1 16 16 MET N N 15 119.412 0.055 . 1 . . . . . 35 MET N . 26323 1 56 . 1 . 1 17 17 TRP H H 1 8.148 0.020 . 1 . . . . . 36 TRP H . 26323 1 57 . 1 . 1 17 17 TRP CA C 13 57.294 0.006 . 1 . . . . . 36 TRP CA . 26323 1 58 . 1 . 1 17 17 TRP CB C 13 26.973 0.013 . 1 . . . . . 36 TRP CB . 26323 1 59 . 1 . 1 17 17 TRP N N 15 120.335 0.057 . 1 . . . . . 36 TRP N . 26323 1 60 . 1 . 1 18 18 MET H H 1 6.837 0.021 . 1 . . . . . 37 MET H . 26323 1 61 . 1 . 1 18 18 MET CA C 13 58.579 0.032 . 1 . . . . . 37 MET CA . 26323 1 62 . 1 . 1 18 18 MET CB C 13 30.729 0.035 . 1 . . . . . 37 MET CB . 26323 1 63 . 1 . 1 18 18 MET N N 15 120.408 0.064 . 1 . . . . . 37 MET N . 26323 1 64 . 1 . 1 19 19 GLU H H 1 7.043 0.025 . 1 . . . . . 38 GLU H . 26323 1 65 . 1 . 1 19 19 GLU CA C 13 58.15 0.036 . 1 . . . . . 38 GLU CA . 26323 1 66 . 1 . 1 19 19 GLU CB C 13 28.864 0.025 . 1 . . . . . 38 GLU CB . 26323 1 67 . 1 . 1 19 19 GLU N N 15 118.544 0.070 . 1 . . . . . 38 GLU N . 26323 1 68 . 1 . 1 20 20 ASN H H 1 7.549 0.022 . 1 . . . . . 39 ASN H . 26323 1 69 . 1 . 1 20 20 ASN CA C 13 51.062 0.062 . 1 . . . . . 39 ASN CA . 26323 1 70 . 1 . 1 20 20 ASN CB C 13 38.438 0.035 . 1 . . . . . 39 ASN CB . 26323 1 71 . 1 . 1 20 20 ASN N N 15 116.667 0.059 . 1 . . . . . 39 ASN N . 26323 1 72 . 1 . 1 21 21 GLU H H 1 7.343 0.022 . 1 . . . . . 40 GLU H . 26323 1 73 . 1 . 1 21 21 GLU CA C 13 59.353 0.042 . 1 . . . . . 40 GLU CA . 26323 1 74 . 1 . 1 21 21 GLU CB C 13 29.564 0.077 . 1 . . . . . 40 GLU CB . 26323 1 75 . 1 . 1 21 21 GLU N N 15 120.575 0.043 . 1 . . . . . 40 GLU N . 26323 1 76 . 1 . 1 22 22 GLU H H 1 8.809 0.022 . 1 . . . . . 41 GLU H . 26323 1 77 . 1 . 1 22 22 GLU CA C 13 59.505 0.000 . 1 . . . . . 41 GLU CA . 26323 1 78 . 1 . 1 22 22 GLU CB C 13 27.809 0.000 . 1 . . . . . 41 GLU CB . 26323 1 79 . 1 . 1 22 22 GLU N N 15 119.442 0.083 . 1 . . . . . 41 GLU N . 26323 1 80 . 1 . 1 23 23 GLU CA C 13 58.57 0.052 . 1 . . . . . 42 GLU CA . 26323 1 81 . 1 . 1 23 23 GLU CB C 13 28.866 0.023 . 1 . . . . . 42 GLU CB . 26323 1 82 . 1 . 1 24 24 PHE H H 1 7.545 0.022 . 1 . . . . . 43 PHE H . 26323 1 83 . 1 . 1 24 24 PHE CA C 13 61.174 0.059 . 1 . . . . . 43 PHE CA . 26323 1 84 . 1 . 1 24 24 PHE CB C 13 38.373 0.066 . 1 . . . . . 43 PHE CB . 26323 1 85 . 1 . 1 24 24 PHE N N 15 121.318 0.077 . 1 . . . . . 43 PHE N . 26323 1 86 . 1 . 1 25 25 ASN H H 1 8.73 0.022 . 1 . . . . . 44 ASN H . 26323 1 87 . 1 . 1 25 25 ASN CA C 13 55.349 0.004 . 1 . . . . . 44 ASN CA . 26323 1 88 . 1 . 1 25 25 ASN CB C 13 36.909 0.000 . 1 . . . . . 44 ASN CB . 26323 1 89 . 1 . 1 25 25 ASN N N 15 118.424 0.068 . 1 . . . . . 44 ASN N . 26323 1 90 . 1 . 1 26 26 ARG H H 1 7.734 0.028 . 1 . . . . . 45 ARG H . 26323 1 91 . 1 . 1 26 26 ARG CA C 13 58.764 0.029 . 1 . . . . . 45 ARG CA . 26323 1 92 . 1 . 1 26 26 ARG N N 15 118.397 0.073 . 1 . . . . . 45 ARG N . 26323 1 93 . 1 . 1 27 27 GLN H H 1 7.666 0.110 . 1 . . . . . 46 GLN H . 26323 1 94 . 1 . 1 27 27 GLN CA C 13 58.473 0.027 . 1 . . . . . 46 GLN CA . 26323 1 95 . 1 . 1 27 27 GLN CB C 13 27.24 0.192 . 1 . . . . . 46 GLN CB . 26323 1 96 . 1 . 1 27 27 GLN N N 15 120.362 0.061 . 1 . . . . . 46 GLN N . 26323 1 97 . 1 . 1 28 28 ILE H H 1 7.896 0.021 . 1 . . . . . 47 ILE H . 26323 1 98 . 1 . 1 28 28 ILE CA C 13 61.569 0.005 . 1 . . . . . 47 ILE CA . 26323 1 99 . 1 . 1 28 28 ILE CB C 13 35.895 0.095 . 1 . . . . . 47 ILE CB . 26323 1 100 . 1 . 1 28 28 ILE N N 15 119.652 0.081 . 1 . . . . . 47 ILE N . 26323 1 101 . 1 . 1 29 29 GLU H H 1 8.253 0.021 . 1 . . . . . 48 GLU H . 26323 1 102 . 1 . 1 29 29 GLU CA C 13 59.865 0.054 . 1 . . . . . 48 GLU CA . 26323 1 103 . 1 . 1 29 29 GLU CB C 13 28.209 0.026 . 1 . . . . . 48 GLU CB . 26323 1 104 . 1 . 1 29 29 GLU N N 15 120.057 0.059 . 1 . . . . . 48 GLU N . 26323 1 105 . 1 . 1 30 30 GLU H H 1 7.925 0.019 . 1 . . . . . 49 GLU H . 26323 1 106 . 1 . 1 30 30 GLU CA C 13 59.288 0.063 . 1 . . . . . 49 GLU CA . 26323 1 107 . 1 . 1 30 30 GLU CB C 13 28.307 0.009 . 1 . . . . . 49 GLU CB . 26323 1 108 . 1 . 1 30 30 GLU N N 15 118.392 0.053 . 1 . . . . . 49 GLU N . 26323 1 109 . 1 . 1 31 31 GLU H H 1 7.686 0.023 . 1 . . . . . 50 GLU H . 26323 1 110 . 1 . 1 31 31 GLU CA C 13 58.278 0.000 . 1 . . . . . 50 GLU CA . 26323 1 111 . 1 . 1 31 31 GLU CB C 13 27.691 0.000 . 1 . . . . . 50 GLU CB . 26323 1 112 . 1 . 1 31 31 GLU N N 15 119.751 0.054 . 1 . . . . . 50 GLU N . 26323 1 113 . 1 . 1 32 32 LEU H H 1 7.788 0.022 . 1 . . . . . 51 LEU H . 26323 1 114 . 1 . 1 32 32 LEU CA C 13 58.689 0.033 . 1 . . . . . 51 LEU CA . 26323 1 115 . 1 . 1 32 32 LEU CB C 13 37.717 0.000 . 1 . . . . . 51 LEU CB . 26323 1 116 . 1 . 1 32 32 LEU N N 15 120.452 0.058 . 1 . . . . . 51 LEU N . 26323 1 117 . 1 . 1 33 33 TRP H H 1 7.711 0.027 . 1 . . . . . 52 TRP H . 26323 1 118 . 1 . 1 33 33 TRP CA C 13 58.617 0.000 . 1 . . . . . 52 TRP CA . 26323 1 119 . 1 . 1 33 33 TRP N N 15 118.319 0.099 . 1 . . . . . 52 TRP N . 26323 1 120 . 1 . 1 38 38 ILE H H 1 8.458 0.024 . 1 . . . . . 57 ILE H . 26323 1 121 . 1 . 1 38 38 ILE CA C 13 65.058 0.020 . 1 . . . . . 57 ILE CA . 26323 1 122 . 1 . 1 38 38 ILE CB C 13 37.052 0.005 . 1 . . . . . 57 ILE CB . 26323 1 123 . 1 . 1 38 38 ILE N N 15 121.572 0.064 . 1 . . . . . 57 ILE N . 26323 1 124 . 1 . 1 39 39 GLU H H 1 7.97 0.019 . 1 . . . . . 58 GLU H . 26323 1 125 . 1 . 1 39 39 GLU CA C 13 59.57 0.004 . 1 . . . . . 58 GLU CA . 26323 1 126 . 1 . 1 39 39 GLU CB C 13 28.826 0.000 . 1 . . . . . 58 GLU CB . 26323 1 127 . 1 . 1 39 39 GLU N N 15 119.087 0.075 . 1 . . . . . 58 GLU N . 26323 1 128 . 1 . 1 40 40 ARG H H 1 7.743 0.026 . 1 . . . . . 59 ARG H . 26323 1 129 . 1 . 1 40 40 ARG CA C 13 58.544 0.001 . 1 . . . . . 59 ARG CA . 26323 1 130 . 1 . 1 40 40 ARG N N 15 119.795 0.070 . 1 . . . . . 59 ARG N . 26323 1 131 . 1 . 1 41 41 CYS H H 1 7.59 0.025 . 1 . . . . . 60 CYS H . 26323 1 132 . 1 . 1 41 41 CYS CA C 13 58.546 0.000 . 1 . . . . . 60 CYS CA . 26323 1 133 . 1 . 1 41 41 CYS CB C 13 31.965 0.000 . 1 . . . . . 60 CYS CB . 26323 1 134 . 1 . 1 41 41 CYS N N 15 120.136 0.098 . 1 . . . . . 60 CYS N . 26323 1 135 . 1 . 1 42 42 PHE H H 1 7.768 0.026 . 1 . . . . . 61 PHE H . 26323 1 136 . 1 . 1 42 42 PHE CA C 13 62.352 0.016 . 1 . . . . . 61 PHE CA . 26323 1 137 . 1 . 1 42 42 PHE CB C 13 40.794 0.000 . 1 . . . . . 61 PHE CB . 26323 1 138 . 1 . 1 42 42 PHE N N 15 119.161 0.061 . 1 . . . . . 61 PHE N . 26323 1 139 . 1 . 1 43 43 GLN H H 1 8.039 0.020 . 1 . . . . . 62 GLN H . 26323 1 140 . 1 . 1 43 43 GLN CA C 13 58.724 0.014 . 1 . . . . . 62 GLN CA . 26323 1 141 . 1 . 1 43 43 GLN CB C 13 26.973 0.000 . 1 . . . . . 62 GLN CB . 26323 1 142 . 1 . 1 43 43 GLN N N 15 118.974 0.080 . 1 . . . . . 62 GLN N . 26323 1 143 . 1 . 1 44 44 GLU H H 1 7.666 0.021 . 1 . . . . . 63 GLU H . 26323 1 144 . 1 . 1 44 44 GLU CA C 13 62.736 0.000 . 1 . . . . . 63 GLU CA . 26323 1 145 . 1 . 1 44 44 GLU CB C 13 25.735 0.000 . 1 . . . . . 63 GLU CB . 26323 1 146 . 1 . 1 44 44 GLU N N 15 118.065 0.101 . 1 . . . . . 63 GLU N . 26323 1 147 . 1 . 1 45 45 MET H H 1 7.883 0.032 . 1 . . . . . 64 MET H . 26323 1 148 . 1 . 1 45 45 MET CA C 13 57.137 0.000 . 1 . . . . . 64 MET CA . 26323 1 149 . 1 . 1 45 45 MET CB C 13 34.006 0.000 . 1 . . . . . 64 MET CB . 26323 1 150 . 1 . 1 45 45 MET N N 15 121.709 0.067 . 1 . . . . . 64 MET N . 26323 1 151 . 1 . 1 46 46 LEU CA C 13 57.3 0.003 . 1 . . . . . 65 LEU CA . 26323 1 152 . 1 . 1 46 46 LEU CB C 13 40.279 0.000 . 1 . . . . . 65 LEU CB . 26323 1 153 . 1 . 1 47 47 GLU H H 1 8.015 0.022 . 1 . . . . . 66 GLU H . 26323 1 154 . 1 . 1 47 47 GLU CA C 13 60.322 0.000 . 1 . . . . . 66 GLU CA . 26323 1 155 . 1 . 1 47 47 GLU CB C 13 28.266 0.000 . 1 . . . . . 66 GLU CB . 26323 1 156 . 1 . 1 47 47 GLU N N 15 120.098 0.102 . 1 . . . . . 66 GLU N . 26323 1 157 . 1 . 1 53 53 GLU CA C 13 59.471 0.003 . 1 . . . . . 72 GLU CA . 26323 1 158 . 1 . 1 53 53 GLU CB C 13 29.484 0.000 . 1 . . . . . 72 GLU CB . 26323 1 159 . 1 . 1 54 54 TRP H H 1 7.955 0.020 . 1 . . . . . 73 TRP H . 26323 1 160 . 1 . 1 54 54 TRP CA C 13 58.69 0.051 . 1 . . . . . 73 TRP CA . 26323 1 161 . 1 . 1 54 54 TRP CB C 13 28.875 0.013 . 1 . . . . . 73 TRP CB . 26323 1 162 . 1 . 1 54 54 TRP N N 15 120.216 0.091 . 1 . . . . . 73 TRP N . 26323 1 163 . 1 . 1 55 55 PHE H H 1 7.883 0.021 . 1 . . . . . 74 PHE H . 26323 1 164 . 1 . 1 55 55 PHE CA C 13 60.597 0.077 . 1 . . . . . 74 PHE CA . 26323 1 165 . 1 . 1 55 55 PHE CB C 13 37.674 0.000 . 1 . . . . . 74 PHE CB . 26323 1 166 . 1 . 1 55 55 PHE N N 15 122.337 0.062 . 1 . . . . . 74 PHE N . 26323 1 167 . 1 . 1 56 56 ILE H H 1 8.078 0.026 . 1 . . . . . 75 ILE H . 26323 1 168 . 1 . 1 56 56 ILE CA C 13 59.198 0.000 . 1 . . . . . 75 ILE CA . 26323 1 169 . 1 . 1 56 56 ILE N N 15 121.927 0.110 . 1 . . . . . 75 ILE N . 26323 1 170 . 1 . 1 57 57 PRO CA C 13 62.46 0.007 . 1 . . . . . 76 PRO CA . 26323 1 171 . 1 . 1 57 57 PRO CB C 13 33.818 0.000 . 1 . . . . . 76 PRO CB . 26323 1 172 . 1 . 1 58 58 ALA H H 1 8.342 0.021 . 1 . . . . . 77 ALA H . 26323 1 173 . 1 . 1 58 58 ALA CA C 13 52.373 0.043 . 1 . . . . . 77 ALA CA . 26323 1 174 . 1 . 1 58 58 ALA CB C 13 18.283 0.032 . 1 . . . . . 77 ALA CB . 26323 1 175 . 1 . 1 58 58 ALA N N 15 123.969 0.058 . 1 . . . . . 77 ALA N . 26323 1 176 . 1 . 1 59 59 ARG H H 1 8.3 0.020 . 1 . . . . . 78 ARG H . 26323 1 177 . 1 . 1 59 59 ARG CA C 13 55.513 0.000 . 1 . . . . . 78 ARG CA . 26323 1 178 . 1 . 1 59 59 ARG N N 15 120.576 0.065 . 1 . . . . . 78 ARG N . 26323 1 179 . 1 . 1 60 60 ASP CA C 13 54.024 0.034 . 1 . . . . . 79 ASP CA . 26323 1 180 . 1 . 1 60 60 ASP CB C 13 40.664 0.000 . 1 . . . . . 79 ASP CB . 26323 1 181 . 1 . 1 61 61 LEU H H 1 7.961 0.032 . 1 . . . . . 80 LEU H . 26323 1 182 . 1 . 1 61 61 LEU CA C 13 52.637 0.000 . 1 . . . . . 80 LEU CA . 26323 1 183 . 1 . 1 61 61 LEU CB C 13 40.708 0.000 . 1 . . . . . 80 LEU CB . 26323 1 184 . 1 . 1 61 61 LEU N N 15 123.613 0.049 . 1 . . . . . 80 LEU N . 26323 1 185 . 1 . 1 62 62 PRO CA C 13 62.687 0.003 . 1 . . . . . 81 PRO CA . 26323 1 186 . 1 . 1 62 62 PRO CB C 13 31.29 0.056 . 1 . . . . . 81 PRO CB . 26323 1 187 . 1 . 1 63 63 GLN H H 1 8.44 0.018 . 1 . . . . . 82 GLN H . 26323 1 188 . 1 . 1 63 63 GLN CA C 13 55.32 0.026 . 1 . . . . . 82 GLN CA . 26323 1 189 . 1 . 1 63 63 GLN CB C 13 28.869 0.015 . 1 . . . . . 82 GLN CB . 26323 1 190 . 1 . 1 63 63 GLN N N 15 121.711 0.058 . 1 . . . . . 82 GLN N . 26323 1 191 . 1 . 1 64 64 THR H H 1 7.753 0.019 . 1 . . . . . 83 THR H . 26323 1 192 . 1 . 1 64 64 THR CA C 13 62.68 0.000 . 1 . . . . . 83 THR CA . 26323 1 193 . 1 . 1 64 64 THR CB C 13 70.112 0.000 . 1 . . . . . 83 THR CB . 26323 1 194 . 1 . 1 64 64 THR N N 15 121.177 0.062 . 1 . . . . . 83 THR N . 26323 1 stop_ save_