data_27777 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27777 _Entry.Title ; 1H-15N HSQC assignment for Insulin-like growth factor 2 mRNA-binding protein 1 domain KH1-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-07 _Entry.Accession_date 2019-02-07 _Entry.Last_release_date 2019-02-07 _Entry.Original_release_date 2019-02-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _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 Geoff Kelly . . . . 27777 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'RNA regulation laboratory, UCL' . 27777 2 . 'MRC BIOMEDICAL NMR CENTRE' . 27777 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27777 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 142 27777 '1H chemical shifts' 142 27777 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-06-26 2019-02-07 update BMRB 'update entry citation' 27777 1 . . 2019-03-06 2019-02-07 original author 'original release' 27777 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6QEY . 27777 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27777 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gkz136 _Citation.PubMed_ID 30864660 _Citation.Full_citation . _Citation.Title ; IMP1 KH1 and KH2 domains create a structural platform with unique RNA recognition and re-modelling properties. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 47 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 4334 _Citation.Page_last 4348 _Citation.Year 2019 _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 Robert Dagil . . . . 27777 1 2 Neil Ball . J. . . 27777 1 3 Roksana Ogrodowicz . W. . . 27777 1 4 Fruzsina Hobor . . . . 27777 1 5 Andrew Purkiss . G. . . 27777 1 6 Geoff Kelly . . . . 27777 1 7 Stephen Martin . R. . . 27777 1 8 Ian Taylor . A. . . 27777 1 9 Andres Ramos . . . . 27777 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'IMP1 KH1-2' 27777 1 'Multidomain RNA binding protein' 27777 1 'Protein-RNA recognition' 27777 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27777 _Assembly.ID 1 _Assembly.Name 'Insulin-like growth factor 2 mRNA-binding protein 1 domain KH1-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19.7 _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 'domain KH1-2' 1 $IMP1_KH1-2 A . yes native no no . . . 27777 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6QEY . . X-ray 2.2 'Crystal structure of IMP1 KH1-2' . 27777 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IMP1_KH1-2 _Entity.Sf_category entity _Entity.Sf_framecode IMP1_KH1-2 _Entity.Entry_ID 27777 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IMP1_KH1-2 _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 ; GAMVDIPLRLLVPTQYVGAI IGKEGATIRNITKQTQSKID VHRKENAGAAEKAISVHSTP EGCSSACKMILEIMHKEAKD TKTADEVPLKILAHNNFVGR LIGKEGRNLKKVEQDTETKI TISSLQDLTLYNPERTITVK GAIENCCRAEQEIMKKVREA YENDVAAMSLQSHLIPGLN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The deposited aa sequence for IMP1 KH1-2 contains the residues 194-369 from the full length construct (Uniprot Q9NZI8). The three first residues (191-193, residues GAM) are cloning artifacts from a TEV cleavage site. ; _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 179 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'IMP KH1-2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 Q9NZI8 . IGF2BP1 . . . . . . . . . . . . . . 27777 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA binding protein' 27777 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 1 191 GLY . 27777 1 2 192 ALA . 27777 1 3 193 MET . 27777 1 4 194 VAL . 27777 1 5 195 ASP . 27777 1 6 196 ILE . 27777 1 7 197 PRO . 27777 1 8 198 LEU . 27777 1 9 199 ARG . 27777 1 10 200 LEU . 27777 1 11 201 LEU . 27777 1 12 202 VAL . 27777 1 13 203 PRO . 27777 1 14 204 THR . 27777 1 15 205 GLN . 27777 1 16 206 TYR . 27777 1 17 207 VAL . 27777 1 18 208 GLY . 27777 1 19 209 ALA . 27777 1 20 210 ILE . 27777 1 21 211 ILE . 27777 1 22 212 GLY . 27777 1 23 213 LYS . 27777 1 24 214 GLU . 27777 1 25 215 GLY . 27777 1 26 216 ALA . 27777 1 27 217 THR . 27777 1 28 218 ILE . 27777 1 29 219 ARG . 27777 1 30 220 ASN . 27777 1 31 221 ILE . 27777 1 32 222 THR . 27777 1 33 223 LYS . 27777 1 34 224 GLN . 27777 1 35 225 THR . 27777 1 36 226 GLN . 27777 1 37 227 SER . 27777 1 38 228 LYS . 27777 1 39 229 ILE . 27777 1 40 230 ASP . 27777 1 41 231 VAL . 27777 1 42 232 HIS . 27777 1 43 233 ARG . 27777 1 44 234 LYS . 27777 1 45 235 GLU . 27777 1 46 236 ASN . 27777 1 47 237 ALA . 27777 1 48 238 GLY . 27777 1 49 239 ALA . 27777 1 50 240 ALA . 27777 1 51 241 GLU . 27777 1 52 242 LYS . 27777 1 53 243 ALA . 27777 1 54 244 ILE . 27777 1 55 245 SER . 27777 1 56 246 VAL . 27777 1 57 247 HIS . 27777 1 58 248 SER . 27777 1 59 249 THR . 27777 1 60 250 PRO . 27777 1 61 251 GLU . 27777 1 62 252 GLY . 27777 1 63 253 CYS . 27777 1 64 254 SER . 27777 1 65 255 SER . 27777 1 66 256 ALA . 27777 1 67 257 CYS . 27777 1 68 258 LYS . 27777 1 69 259 MET . 27777 1 70 260 ILE . 27777 1 71 261 LEU . 27777 1 72 262 GLU . 27777 1 73 263 ILE . 27777 1 74 264 MET . 27777 1 75 265 HIS . 27777 1 76 266 LYS . 27777 1 77 267 GLU . 27777 1 78 268 ALA . 27777 1 79 269 LYS . 27777 1 80 270 ASP . 27777 1 81 271 THR . 27777 1 82 272 LYS . 27777 1 83 273 THR . 27777 1 84 274 ALA . 27777 1 85 275 ASP . 27777 1 86 276 GLU . 27777 1 87 277 VAL . 27777 1 88 278 PRO . 27777 1 89 279 LEU . 27777 1 90 280 LYS . 27777 1 91 281 ILE . 27777 1 92 282 LEU . 27777 1 93 283 ALA . 27777 1 94 284 HIS . 27777 1 95 285 ASN . 27777 1 96 286 ASN . 27777 1 97 287 PHE . 27777 1 98 288 VAL . 27777 1 99 289 GLY . 27777 1 100 290 ARG . 27777 1 101 291 LEU . 27777 1 102 292 ILE . 27777 1 103 293 GLY . 27777 1 104 294 LYS . 27777 1 105 295 GLU . 27777 1 106 296 GLY . 27777 1 107 297 ARG . 27777 1 108 298 ASN . 27777 1 109 299 LEU . 27777 1 110 300 LYS . 27777 1 111 301 LYS . 27777 1 112 302 VAL . 27777 1 113 303 GLU . 27777 1 114 304 GLN . 27777 1 115 305 ASP . 27777 1 116 306 THR . 27777 1 117 307 GLU . 27777 1 118 308 THR . 27777 1 119 309 LYS . 27777 1 120 310 ILE . 27777 1 121 311 THR . 27777 1 122 312 ILE . 27777 1 123 313 SER . 27777 1 124 314 SER . 27777 1 125 315 LEU . 27777 1 126 316 GLN . 27777 1 127 317 ASP . 27777 1 128 318 LEU . 27777 1 129 319 THR . 27777 1 130 320 LEU . 27777 1 131 321 TYR . 27777 1 132 322 ASN . 27777 1 133 323 PRO . 27777 1 134 324 GLU . 27777 1 135 325 ARG . 27777 1 136 326 THR . 27777 1 137 327 ILE . 27777 1 138 328 THR . 27777 1 139 329 VAL . 27777 1 140 330 LYS . 27777 1 141 331 GLY . 27777 1 142 332 ALA . 27777 1 143 333 ILE . 27777 1 144 334 GLU . 27777 1 145 335 ASN . 27777 1 146 336 CYS . 27777 1 147 337 CYS . 27777 1 148 338 ARG . 27777 1 149 339 ALA . 27777 1 150 340 GLU . 27777 1 151 341 GLN . 27777 1 152 342 GLU . 27777 1 153 343 ILE . 27777 1 154 344 MET . 27777 1 155 345 LYS . 27777 1 156 346 LYS . 27777 1 157 347 VAL . 27777 1 158 348 ARG . 27777 1 159 349 GLU . 27777 1 160 350 ALA . 27777 1 161 351 TYR . 27777 1 162 352 GLU . 27777 1 163 353 ASN . 27777 1 164 354 ASP . 27777 1 165 355 VAL . 27777 1 166 356 ALA . 27777 1 167 357 ALA . 27777 1 168 358 MET . 27777 1 169 359 SER . 27777 1 170 360 LEU . 27777 1 171 361 GLN . 27777 1 172 362 SER . 27777 1 173 363 HIS . 27777 1 174 364 LEU . 27777 1 175 365 ILE . 27777 1 176 366 PRO . 27777 1 177 367 GLY . 27777 1 178 368 LEU . 27777 1 179 369 ASN . 27777 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 27777 1 . ALA 2 2 27777 1 . MET 3 3 27777 1 . VAL 4 4 27777 1 . ASP 5 5 27777 1 . ILE 6 6 27777 1 . PRO 7 7 27777 1 . LEU 8 8 27777 1 . ARG 9 9 27777 1 . LEU 10 10 27777 1 . LEU 11 11 27777 1 . VAL 12 12 27777 1 . PRO 13 13 27777 1 . THR 14 14 27777 1 . GLN 15 15 27777 1 . TYR 16 16 27777 1 . VAL 17 17 27777 1 . GLY 18 18 27777 1 . ALA 19 19 27777 1 . ILE 20 20 27777 1 . ILE 21 21 27777 1 . GLY 22 22 27777 1 . LYS 23 23 27777 1 . GLU 24 24 27777 1 . GLY 25 25 27777 1 . ALA 26 26 27777 1 . THR 27 27 27777 1 . ILE 28 28 27777 1 . ARG 29 29 27777 1 . ASN 30 30 27777 1 . ILE 31 31 27777 1 . THR 32 32 27777 1 . LYS 33 33 27777 1 . GLN 34 34 27777 1 . THR 35 35 27777 1 . GLN 36 36 27777 1 . SER 37 37 27777 1 . LYS 38 38 27777 1 . ILE 39 39 27777 1 . ASP 40 40 27777 1 . VAL 41 41 27777 1 . HIS 42 42 27777 1 . ARG 43 43 27777 1 . LYS 44 44 27777 1 . GLU 45 45 27777 1 . ASN 46 46 27777 1 . ALA 47 47 27777 1 . GLY 48 48 27777 1 . ALA 49 49 27777 1 . ALA 50 50 27777 1 . GLU 51 51 27777 1 . LYS 52 52 27777 1 . ALA 53 53 27777 1 . ILE 54 54 27777 1 . SER 55 55 27777 1 . VAL 56 56 27777 1 . HIS 57 57 27777 1 . SER 58 58 27777 1 . THR 59 59 27777 1 . PRO 60 60 27777 1 . GLU 61 61 27777 1 . GLY 62 62 27777 1 . CYS 63 63 27777 1 . SER 64 64 27777 1 . SER 65 65 27777 1 . ALA 66 66 27777 1 . CYS 67 67 27777 1 . LYS 68 68 27777 1 . MET 69 69 27777 1 . ILE 70 70 27777 1 . LEU 71 71 27777 1 . GLU 72 72 27777 1 . ILE 73 73 27777 1 . MET 74 74 27777 1 . HIS 75 75 27777 1 . LYS 76 76 27777 1 . GLU 77 77 27777 1 . ALA 78 78 27777 1 . LYS 79 79 27777 1 . ASP 80 80 27777 1 . THR 81 81 27777 1 . LYS 82 82 27777 1 . THR 83 83 27777 1 . ALA 84 84 27777 1 . ASP 85 85 27777 1 . GLU 86 86 27777 1 . VAL 87 87 27777 1 . PRO 88 88 27777 1 . LEU 89 89 27777 1 . LYS 90 90 27777 1 . ILE 91 91 27777 1 . LEU 92 92 27777 1 . ALA 93 93 27777 1 . HIS 94 94 27777 1 . ASN 95 95 27777 1 . ASN 96 96 27777 1 . PHE 97 97 27777 1 . VAL 98 98 27777 1 . GLY 99 99 27777 1 . ARG 100 100 27777 1 . LEU 101 101 27777 1 . ILE 102 102 27777 1 . GLY 103 103 27777 1 . LYS 104 104 27777 1 . GLU 105 105 27777 1 . GLY 106 106 27777 1 . ARG 107 107 27777 1 . ASN 108 108 27777 1 . LEU 109 109 27777 1 . LYS 110 110 27777 1 . LYS 111 111 27777 1 . VAL 112 112 27777 1 . GLU 113 113 27777 1 . GLN 114 114 27777 1 . ASP 115 115 27777 1 . THR 116 116 27777 1 . GLU 117 117 27777 1 . THR 118 118 27777 1 . LYS 119 119 27777 1 . ILE 120 120 27777 1 . THR 121 121 27777 1 . ILE 122 122 27777 1 . SER 123 123 27777 1 . SER 124 124 27777 1 . LEU 125 125 27777 1 . GLN 126 126 27777 1 . ASP 127 127 27777 1 . LEU 128 128 27777 1 . THR 129 129 27777 1 . LEU 130 130 27777 1 . TYR 131 131 27777 1 . ASN 132 132 27777 1 . PRO 133 133 27777 1 . GLU 134 134 27777 1 . ARG 135 135 27777 1 . THR 136 136 27777 1 . ILE 137 137 27777 1 . THR 138 138 27777 1 . VAL 139 139 27777 1 . LYS 140 140 27777 1 . GLY 141 141 27777 1 . ALA 142 142 27777 1 . ILE 143 143 27777 1 . GLU 144 144 27777 1 . ASN 145 145 27777 1 . CYS 146 146 27777 1 . CYS 147 147 27777 1 . ARG 148 148 27777 1 . ALA 149 149 27777 1 . GLU 150 150 27777 1 . GLN 151 151 27777 1 . GLU 152 152 27777 1 . ILE 153 153 27777 1 . MET 154 154 27777 1 . LYS 155 155 27777 1 . LYS 156 156 27777 1 . VAL 157 157 27777 1 . ARG 158 158 27777 1 . GLU 159 159 27777 1 . ALA 160 160 27777 1 . TYR 161 161 27777 1 . GLU 162 162 27777 1 . ASN 163 163 27777 1 . ASP 164 164 27777 1 . VAL 165 165 27777 1 . ALA 166 166 27777 1 . ALA 167 167 27777 1 . MET 168 168 27777 1 . SER 169 169 27777 1 . LEU 170 170 27777 1 . GLN 171 171 27777 1 . SER 172 172 27777 1 . HIS 173 173 27777 1 . LEU 174 174 27777 1 . ILE 175 175 27777 1 . PRO 176 176 27777 1 . GLY 177 177 27777 1 . LEU 178 178 27777 1 . ASN 179 179 27777 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27777 _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 $IMP1_KH1-2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27777 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27777 _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 $IMP1_KH1-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM-30 . . . 27777 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27777 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.4' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'IMP1 KH1-2' '[U-100% 13C; U-100% 15N]' . . 1 $IMP1_KH1-2 . . 560 . . uM . . . . 27777 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27777 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27777 1 4 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 27777 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 27777 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 27777 1 pressure 1 . atm 27777 1 temperature 273 . K 27777 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27777 _Software.ID 1 _Software.Type . _Software.Name CCPN_Analysis _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27777 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27777 1 'data analysis' 27777 1 'peak picking' 27777 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 950 _NMR_spectrometer.Entry_ID 27777 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 27777 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700 _NMR_spectrometer.Entry_ID 27777 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27777 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 950 Bruker Avance . 950 . . . 27777 1 2 800 Bruker Avance . 800 . . . 27777 1 3 700 Bruker Avance . 700 . . . 27777 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27777 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $700 . . . . . . . . . . . . . . . . 27777 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $950 . . . . . . . . . . . . . . . . 27777 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $950 . . . . . . . . . . . . . . . . 27777 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $950 . . . . . . . . . . . . . . . . 27777 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $950 . . . . . . . . . . . . . . . . 27777 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $950 . . . . . . . . . . . . . . . . 27777 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27777 _Chem_shift_reference.ID 1 _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 H 1 water protons . . . . ppm 0 internal direct 1.0 . . . . . 27777 1 N 15 water protons . . . . ppm 0 internal direct 0.101329118 . . . . . 27777 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27777 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 HSQC' . . . 27777 1 2 '3D CBCA(CO)NH' . . . 27777 1 3 '3D C(CO)NH' . . . 27777 1 4 '3D HNCO' . . . 27777 1 5 '3D HNCACB' . . . 27777 1 6 '3D HN(CA)CO' . . . 27777 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 $CCPN_Analysis . . 27777 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 4 4 VAL H H 1 8.149 . . 1 . . . . . 194 V HN . 27777 1 2 . 1 1 4 4 VAL N N 15 120.208 . . 1 . . . . . 194 V N . 27777 1 3 . 1 1 5 5 ASP H H 1 8.272 . . 1 . . . . . 195 D HN . 27777 1 4 . 1 1 5 5 ASP N N 15 124.167 . . 1 . . . . . 195 D N . 27777 1 5 . 1 1 6 6 ILE H H 1 7.843 . . 1 . . . . . 196 I HN . 27777 1 6 . 1 1 6 6 ILE N N 15 120.665 . . 1 . . . . . 196 I N . 27777 1 7 . 1 1 8 8 LEU H H 1 7.964 . . 1 . . . . . 198 L HN . 27777 1 8 . 1 1 8 8 LEU N N 15 120.081 . . 1 . . . . . 198 L N . 27777 1 9 . 1 1 9 9 ARG H H 1 9.149 . . 1 . . . . . 199 R HN . 27777 1 10 . 1 1 9 9 ARG N N 15 129.616 . . 1 . . . . . 199 R N . 27777 1 11 . 1 1 10 10 LEU H H 1 8.832 . . 1 . . . . . 200 L HN . 27777 1 12 . 1 1 10 10 LEU N N 15 121.856 . . 1 . . . . . 200 L N . 27777 1 13 . 1 1 11 11 LEU H H 1 8.005 . . 1 . . . . . 201 L HN . 27777 1 14 . 1 1 11 11 LEU N N 15 120.302 . . 1 . . . . . 201 L N . 27777 1 15 . 1 1 12 12 VAL H H 1 9.192 . . 1 . . . . . 202 V HN . 27777 1 16 . 1 1 12 12 VAL N N 15 121.468 . . 1 . . . . . 202 V N . 27777 1 17 . 1 1 14 14 THR H H 1 8.706 . . 1 . . . . . 204 T HN . 27777 1 18 . 1 1 14 14 THR N N 15 122.660 . . 1 . . . . . 204 T N . 27777 1 19 . 1 1 16 16 TYR H H 1 7.641 . . 1 . . . . . 206 Y HN . 27777 1 20 . 1 1 16 16 TYR N N 15 116.571 . . 1 . . . . . 206 Y N . 27777 1 21 . 1 1 17 17 VAL H H 1 7.603 . . 1 . . . . . 207 V HN . 27777 1 22 . 1 1 17 17 VAL N N 15 120.884 . . 1 . . . . . 207 V N . 27777 1 23 . 1 1 18 18 GLY H H 1 8.679 . . 1 . . . . . 208 G HN . 27777 1 24 . 1 1 18 18 GLY N N 15 106.957 . . 1 . . . . . 208 G N . 27777 1 25 . 1 1 19 19 ALA H H 1 7.650 . . 1 . . . . . 209 A HN . 27777 1 26 . 1 1 19 19 ALA N N 15 124.515 . . 1 . . . . . 209 A N . 27777 1 27 . 1 1 20 20 ILE H H 1 7.369 . . 1 . . . . . 210 I HN . 27777 1 28 . 1 1 20 20 ILE N N 15 118.117 . . 1 . . . . . 210 I N . 27777 1 29 . 1 1 21 21 ILE H H 1 7.662 . . 1 . . . . . 211 I HN . 27777 1 30 . 1 1 21 21 ILE N N 15 114.597 . . 1 . . . . . 211 I N . 27777 1 31 . 1 1 22 22 GLY H H 1 8.108 . . 1 . . . . . 212 G HN . 27777 1 32 . 1 1 22 22 GLY N N 15 106.005 . . 1 . . . . . 212 G N . 27777 1 33 . 1 1 25 25 GLY H H 1 7.766 . . 1 . . . . . 215 G HN . 27777 1 34 . 1 1 25 25 GLY N N 15 105.151 . . 1 . . . . . 215 G N . 27777 1 35 . 1 1 26 26 ALA H H 1 7.841 . . 1 . . . . . 216 A HN . 27777 1 36 . 1 1 26 26 ALA N N 15 120.040 . . 1 . . . . . 216 A N . 27777 1 37 . 1 1 27 27 THR H H 1 7.903 . . 1 . . . . . 217 T HN . 27777 1 38 . 1 1 27 27 THR N N 15 115.687 . . 1 . . . . . 217 T N . 27777 1 39 . 1 1 28 28 ILE H H 1 8.034 . . 1 . . . . . 218 I HN . 27777 1 40 . 1 1 28 28 ILE N N 15 124.529 . . 1 . . . . . 218 I N . 27777 1 41 . 1 1 29 29 ARG H H 1 7.958 . . 1 . . . . . 219 R HN . 27777 1 42 . 1 1 29 29 ARG N N 15 123.189 . . 1 . . . . . 219 R N . 27777 1 43 . 1 1 30 30 ASN H H 1 7.607 . . 1 . . . . . 220 N HN . 27777 1 44 . 1 1 30 30 ASN N N 15 118.410 . . 1 . . . . . 220 N N . 27777 1 45 . 1 1 31 31 ILE H H 1 8.456 . . 1 . . . . . 221 I HN . 27777 1 46 . 1 1 31 31 ILE N N 15 119.216 . . 1 . . . . . 221 I N . 27777 1 47 . 1 1 32 32 THR H H 1 8.655 . . 1 . . . . . 222 T HN . 27777 1 48 . 1 1 32 32 THR N N 15 114.823 . . 1 . . . . . 222 T N . 27777 1 49 . 1 1 33 33 LYS H H 1 7.925 . . 1 . . . . . 223 K HN . 27777 1 50 . 1 1 33 33 LYS N N 15 121.926 . . 1 . . . . . 223 K N . 27777 1 51 . 1 1 34 34 GLN H H 1 8.298 . . 1 . . . . . 224 Q HN . 27777 1 52 . 1 1 34 34 GLN N N 15 115.804 . . 1 . . . . . 224 Q N . 27777 1 53 . 1 1 35 35 THR H H 1 7.638 . . 1 . . . . . 225 T HN . 27777 1 54 . 1 1 35 35 THR N N 15 104.995 . . 1 . . . . . 225 T N . 27777 1 55 . 1 1 36 36 GLN H H 1 7.613 . . 1 . . . . . 226 Q HN . 27777 1 56 . 1 1 36 36 GLN N N 15 118.718 . . 1 . . . . . 226 Q N . 27777 1 57 . 1 1 37 37 SER H H 1 8.047 . . 1 . . . . . 227 S HN . 27777 1 58 . 1 1 37 37 SER N N 15 114.036 . . 1 . . . . . 227 S N . 27777 1 59 . 1 1 38 38 LYS H H 1 8.457 . . 1 . . . . . 228 K HN . 27777 1 60 . 1 1 38 38 LYS N N 15 120.485 . . 1 . . . . . 228 K N . 27777 1 61 . 1 1 39 39 ILE H H 1 8.386 . . 1 . . . . . 229 I HN . 27777 1 62 . 1 1 39 39 ILE N N 15 124.711 . . 1 . . . . . 229 I N . 27777 1 63 . 1 1 40 40 ASP H H 1 8.979 . . 1 . . . . . 230 D HN . 27777 1 64 . 1 1 40 40 ASP N N 15 127.827 . . 1 . . . . . 230 D N . 27777 1 65 . 1 1 41 41 VAL H H 1 8.366 . . 1 . . . . . 231 V HN . 27777 1 66 . 1 1 41 41 VAL N N 15 122.435 . . 1 . . . . . 231 V N . 27777 1 67 . 1 1 42 42 HIS H H 1 8.717 . . 1 . . . . . 232 H HN . 27777 1 68 . 1 1 42 42 HIS N N 15 127.505 . . 1 . . . . . 232 H N . 27777 1 69 . 1 1 50 50 ALA H H 1 7.918 . . 1 . . . . . 240 A HN . 27777 1 70 . 1 1 50 50 ALA N N 15 122.859 . . 1 . . . . . 240 A N . 27777 1 71 . 1 1 51 51 GLU H H 1 7.562 . . 1 . . . . . 241 E HN . 27777 1 72 . 1 1 51 51 GLU N N 15 117.772 . . 1 . . . . . 241 E N . 27777 1 73 . 1 1 52 52 LYS H H 1 9.056 . . 1 . . . . . 242 K HN . 27777 1 74 . 1 1 52 52 LYS N N 15 119.314 . . 1 . . . . . 242 K N . 27777 1 75 . 1 1 53 53 ALA H H 1 8.694 . . 1 . . . . . 243 A HN . 27777 1 76 . 1 1 53 53 ALA N N 15 124.972 . . 1 . . . . . 243 A N . 27777 1 77 . 1 1 54 54 ILE H H 1 9.106 . . 1 . . . . . 244 I HN . 27777 1 78 . 1 1 54 54 ILE N N 15 120.026 . . 1 . . . . . 244 I N . 27777 1 79 . 1 1 55 55 SER H H 1 8.886 . . 1 . . . . . 245 S HN . 27777 1 80 . 1 1 55 55 SER N N 15 120.300 . . 1 . . . . . 245 S N . 27777 1 81 . 1 1 56 56 VAL H H 1 9.544 . . 1 . . . . . 246 V HN . 27777 1 82 . 1 1 56 56 VAL N N 15 125.070 . . 1 . . . . . 246 V N . 27777 1 83 . 1 1 57 57 HIS H H 1 9.105 . . 1 . . . . . 247 H HN . 27777 1 84 . 1 1 57 57 HIS N N 15 125.779 . . 1 . . . . . 247 H N . 27777 1 85 . 1 1 58 58 SER H H 1 7.957 . . 1 . . . . . 248 S HN . 27777 1 86 . 1 1 58 58 SER N N 15 118.161 . . 1 . . . . . 248 S N . 27777 1 87 . 1 1 59 59 THR H H 1 8.460 . . 1 . . . . . 249 T HN . 27777 1 88 . 1 1 59 59 THR N N 15 109.268 . . 1 . . . . . 249 T N . 27777 1 89 . 1 1 61 61 GLU H H 1 8.822 . . 1 . . . . . 251 E HN . 27777 1 90 . 1 1 61 61 GLU N N 15 115.505 . . 1 . . . . . 251 E N . 27777 1 91 . 1 1 62 62 GLY H H 1 8.220 . . 1 . . . . . 252 G HN . 27777 1 92 . 1 1 62 62 GLY N N 15 112.629 . . 1 . . . . . 252 G N . 27777 1 93 . 1 1 63 63 CYS H H 1 8.836 . . 1 . . . . . 253 C HN . 27777 1 94 . 1 1 63 63 CYS N N 15 119.603 . . 1 . . . . . 253 C N . 27777 1 95 . 1 1 64 64 SER H H 1 8.356 . . 1 . . . . . 254 S HN . 27777 1 96 . 1 1 64 64 SER N N 15 117.154 . . 1 . . . . . 254 S N . 27777 1 97 . 1 1 65 65 SER H H 1 8.400 . . 1 . . . . . 255 S HN . 27777 1 98 . 1 1 65 65 SER N N 15 119.444 . . 1 . . . . . 255 S N . 27777 1 99 . 1 1 66 66 ALA H H 1 8.624 . . 1 . . . . . 256 A HN . 27777 1 100 . 1 1 66 66 ALA N N 15 125.120 . . 1 . . . . . 256 A N . 27777 1 101 . 1 1 67 67 CYS H H 1 8.475 . . 1 . . . . . 257 C HN . 27777 1 102 . 1 1 67 67 CYS N N 15 117.403 . . 1 . . . . . 257 C N . 27777 1 103 . 1 1 68 68 LYS H H 1 7.561 . . 1 . . . . . 258 K HN . 27777 1 104 . 1 1 68 68 LYS N N 15 118.130 . . 1 . . . . . 258 K N . 27777 1 105 . 1 1 69 69 MET H H 1 7.704 . . 1 . . . . . 259 M HN . 27777 1 106 . 1 1 69 69 MET N N 15 115.696 . . 1 . . . . . 259 M N . 27777 1 107 . 1 1 70 70 ILE H H 1 8.499 . . 1 . . . . . 260 I HN . 27777 1 108 . 1 1 70 70 ILE N N 15 119.542 . . 1 . . . . . 260 I N . 27777 1 109 . 1 1 71 71 LEU H H 1 8.848 . . 1 . . . . . 261 L HN . 27777 1 110 . 1 1 71 71 LEU N N 15 121.082 . . 1 . . . . . 261 L N . 27777 1 111 . 1 1 72 72 GLU H H 1 8.657 . . 1 . . . . . 262 E HN . 27777 1 112 . 1 1 72 72 GLU N N 15 119.855 . . 1 . . . . . 262 E N . 27777 1 113 . 1 1 73 73 ILE H H 1 8.006 . . 1 . . . . . 263 I HN . 27777 1 114 . 1 1 73 73 ILE N N 15 121.563 . . 1 . . . . . 263 I N . 27777 1 115 . 1 1 74 74 MET H H 1 8.311 . . 1 . . . . . 264 M HN . 27777 1 116 . 1 1 74 74 MET N N 15 117.926 . . 1 . . . . . 264 M N . 27777 1 117 . 1 1 75 75 HIS H H 1 8.420 . . 1 . . . . . 265 H HN . 27777 1 118 . 1 1 75 75 HIS N N 15 116.444 . . 1 . . . . . 265 H N . 27777 1 119 . 1 1 76 76 LYS H H 1 7.856 . . 1 . . . . . 266 K HN . 27777 1 120 . 1 1 76 76 LYS N N 15 120.311 . . 1 . . . . . 266 K N . 27777 1 121 . 1 1 77 77 GLU H H 1 7.989 . . 1 . . . . . 267 E HN . 27777 1 122 . 1 1 77 77 GLU N N 15 119.334 . . 1 . . . . . 267 E N . 27777 1 123 . 1 1 78 78 ALA H H 1 8.290 . . 1 . . . . . 268 A HN . 27777 1 124 . 1 1 78 78 ALA N N 15 124.244 . . 1 . . . . . 268 A N . 27777 1 125 . 1 1 79 79 LYS H H 1 7.771 . . 1 . . . . . 269 K HN . 27777 1 126 . 1 1 79 79 LYS N N 15 117.762 . . 1 . . . . . 269 K N . 27777 1 127 . 1 1 80 80 ASP H H 1 8.798 . . 1 . . . . . 270 D HN . 27777 1 128 . 1 1 80 80 ASP N N 15 121.210 . . 1 . . . . . 270 D N . 27777 1 129 . 1 1 81 81 THR H H 1 7.856 . . 1 . . . . . 271 T HN . 27777 1 130 . 1 1 81 81 THR N N 15 107.712 . . 1 . . . . . 271 T N . 27777 1 131 . 1 1 82 82 LYS H H 1 7.967 . . 1 . . . . . 272 K HN . 27777 1 132 . 1 1 82 82 LYS N N 15 119.030 . . 1 . . . . . 272 K N . 27777 1 133 . 1 1 83 83 THR H H 1 8.226 . . 1 . . . . . 273 T HN . 27777 1 134 . 1 1 83 83 THR N N 15 110.430 . . 1 . . . . . 273 T N . 27777 1 135 . 1 1 84 84 ALA H H 1 7.752 . . 1 . . . . . 274 A HN . 27777 1 136 . 1 1 84 84 ALA N N 15 122.908 . . 1 . . . . . 274 A N . 27777 1 137 . 1 1 85 85 ASP H H 1 8.290 . . 1 . . . . . 275 D HN . 27777 1 138 . 1 1 85 85 ASP N N 15 117.729 . . 1 . . . . . 275 D N . 27777 1 139 . 1 1 86 86 GLU H H 1 7.728 . . 1 . . . . . 276 E HN . 27777 1 140 . 1 1 86 86 GLU N N 15 117.354 . . 1 . . . . . 276 E N . 27777 1 141 . 1 1 87 87 VAL H H 1 8.147 . . 1 . . . . . 277 V HN . 27777 1 142 . 1 1 87 87 VAL N N 15 122.672 . . 1 . . . . . 277 V N . 27777 1 143 . 1 1 89 89 LEU H H 1 8.416 . . 1 . . . . . 279 L HN . 27777 1 144 . 1 1 89 89 LEU N N 15 123.419 . . 1 . . . . . 279 L N . 27777 1 145 . 1 1 90 90 LYS H H 1 8.810 . . 1 . . . . . 280 K HN . 27777 1 146 . 1 1 90 90 LYS N N 15 127.590 . . 1 . . . . . 280 K N . 27777 1 147 . 1 1 91 91 ILE H H 1 9.123 . . 1 . . . . . 281 I HN . 27777 1 148 . 1 1 91 91 ILE N N 15 124.013 . . 1 . . . . . 281 I N . 27777 1 149 . 1 1 92 92 LEU H H 1 8.490 . . 1 . . . . . 282 L HN . 27777 1 150 . 1 1 92 92 LEU N N 15 126.695 . . 1 . . . . . 282 L N . 27777 1 151 . 1 1 93 93 ALA H H 1 8.579 . . 1 . . . . . 283 A HN . 27777 1 152 . 1 1 93 93 ALA N N 15 122.060 . . 1 . . . . . 283 A N . 27777 1 153 . 1 1 94 94 HIS H H 1 9.011 . . 1 . . . . . 284 H HN . 27777 1 154 . 1 1 94 94 HIS N N 15 124.712 . . 1 . . . . . 284 H N . 27777 1 155 . 1 1 95 95 ASN H H 1 8.332 . . 1 . . . . . 285 N HN . 27777 1 156 . 1 1 95 95 ASN N N 15 124.285 . . 1 . . . . . 285 N N . 27777 1 157 . 1 1 97 97 PHE H H 1 8.238 . . 1 . . . . . 287 F HN . 27777 1 158 . 1 1 97 97 PHE N N 15 116.351 . . 1 . . . . . 287 F N . 27777 1 159 . 1 1 98 98 VAL H H 1 7.228 . . 1 . . . . . 288 V HN . 27777 1 160 . 1 1 98 98 VAL N N 15 111.593 . . 1 . . . . . 288 V N . 27777 1 161 . 1 1 101 101 LEU H H 1 7.681 . . 1 . . . . . 291 L HN . 27777 1 162 . 1 1 101 101 LEU N N 15 119.608 . . 1 . . . . . 291 L N . 27777 1 163 . 1 1 102 102 ILE H H 1 7.722 . . 1 . . . . . 292 I HN . 27777 1 164 . 1 1 102 102 ILE N N 15 112.595 . . 1 . . . . . 292 I N . 27777 1 165 . 1 1 103 103 GLY H H 1 7.696 . . 1 . . . . . 293 G HN . 27777 1 166 . 1 1 103 103 GLY N N 15 106.661 . . 1 . . . . . 293 G N . 27777 1 167 . 1 1 109 109 LEU H H 1 7.626 . . 1 . . . . . 299 L HN . 27777 1 168 . 1 1 109 109 LEU N N 15 121.913 . . 1 . . . . . 299 L N . 27777 1 169 . 1 1 110 110 LYS H H 1 7.604 . . 1 . . . . . 300 K HN . 27777 1 170 . 1 1 110 110 LYS N N 15 117.409 . . 1 . . . . . 300 K N . 27777 1 171 . 1 1 111 111 LYS H H 1 7.472 . . 1 . . . . . 301 K HN . 27777 1 172 . 1 1 111 111 LYS N N 15 119.932 . . 1 . . . . . 301 K N . 27777 1 173 . 1 1 112 112 VAL H H 1 7.624 . . 1 . . . . . 302 V HN . 27777 1 174 . 1 1 112 112 VAL N N 15 118.750 . . 1 . . . . . 302 V N . 27777 1 175 . 1 1 113 113 GLU H H 1 8.308 . . 1 . . . . . 303 E HN . 27777 1 176 . 1 1 113 113 GLU N N 15 122.825 . . 1 . . . . . 303 E N . 27777 1 177 . 1 1 114 114 GLN H H 1 7.978 . . 1 . . . . . 304 Q HN . 27777 1 178 . 1 1 114 114 GLN N N 15 117.769 . . 1 . . . . . 304 Q N . 27777 1 179 . 1 1 115 115 ASP H H 1 8.771 . . 1 . . . . . 305 D HN . 27777 1 180 . 1 1 115 115 ASP N N 15 119.122 . . 1 . . . . . 305 D N . 27777 1 181 . 1 1 116 116 THR H H 1 7.813 . . 1 . . . . . 306 T HN . 27777 1 182 . 1 1 116 116 THR N N 15 105.635 . . 1 . . . . . 306 T N . 27777 1 183 . 1 1 117 117 GLU H H 1 7.852 . . 1 . . . . . 307 E HN . 27777 1 184 . 1 1 117 117 GLU N N 15 119.767 . . 1 . . . . . 307 E N . 27777 1 185 . 1 1 118 118 THR H H 1 7.924 . . 1 . . . . . 308 T HN . 27777 1 186 . 1 1 118 118 THR N N 15 108.603 . . 1 . . . . . 308 T N . 27777 1 187 . 1 1 119 119 LYS H H 1 8.194 . . 1 . . . . . 309 K HN . 27777 1 188 . 1 1 119 119 LYS N N 15 117.518 . . 1 . . . . . 309 K N . 27777 1 189 . 1 1 120 120 ILE H H 1 10.136 . . 1 . . . . . 310 I HN . 27777 1 190 . 1 1 120 120 ILE N N 15 128.163 . . 1 . . . . . 310 I N . 27777 1 191 . 1 1 121 121 THR H H 1 8.885 . . 1 . . . . . 311 T HN . 27777 1 192 . 1 1 121 121 THR N N 15 118.855 . . 1 . . . . . 311 T N . 27777 1 193 . 1 1 122 122 ILE H H 1 8.663 . . 1 . . . . . 312 I HN . 27777 1 194 . 1 1 122 122 ILE N N 15 121.583 . . 1 . . . . . 312 I N . 27777 1 195 . 1 1 123 123 SER H H 1 8.490 . . 1 . . . . . 313 S HN . 27777 1 196 . 1 1 123 123 SER N N 15 123.487 . . 1 . . . . . 313 S N . 27777 1 197 . 1 1 127 127 ASP H H 1 7.504 . . 1 . . . . . 317 D HN . 27777 1 198 . 1 1 127 127 ASP N N 15 117.742 . . 1 . . . . . 317 D N . 27777 1 199 . 1 1 128 128 LEU H H 1 7.567 . . 1 . . . . . 318 L HN . 27777 1 200 . 1 1 128 128 LEU N N 15 121.849 . . 1 . . . . . 318 L N . 27777 1 201 . 1 1 129 129 THR H H 1 7.911 . . 1 . . . . . 319 T HN . 27777 1 202 . 1 1 129 129 THR N N 15 112.690 . . 1 . . . . . 319 T N . 27777 1 203 . 1 1 132 132 ASN H H 1 7.366 . . 1 . . . . . 322 N HN . 27777 1 204 . 1 1 132 132 ASN N N 15 121.795 . . 1 . . . . . 322 N N . 27777 1 205 . 1 1 134 134 GLU H H 1 7.616 . . 1 . . . . . 324 E HN . 27777 1 206 . 1 1 134 134 GLU N N 15 119.059 . . 1 . . . . . 324 E N . 27777 1 207 . 1 1 135 135 ARG H H 1 8.782 . . 1 . . . . . 325 R HN . 27777 1 208 . 1 1 135 135 ARG N N 15 121.656 . . 1 . . . . . 325 R N . 27777 1 209 . 1 1 136 136 THR H H 1 8.752 . . 1 . . . . . 326 T HN . 27777 1 210 . 1 1 136 136 THR N N 15 116.612 . . 1 . . . . . 326 T N . 27777 1 211 . 1 1 137 137 ILE H H 1 10.095 . . 1 . . . . . 327 I HN . 27777 1 212 . 1 1 137 137 ILE N N 15 133.444 . . 1 . . . . . 327 I N . 27777 1 213 . 1 1 138 138 THR H H 1 9.145 . . 1 . . . . . 328 T HN . 27777 1 214 . 1 1 138 138 THR N N 15 124.800 . . 1 . . . . . 328 T N . 27777 1 215 . 1 1 139 139 VAL H H 1 9.802 . . 1 . . . . . 329 V HN . 27777 1 216 . 1 1 139 139 VAL N N 15 129.279 . . 1 . . . . . 329 V N . 27777 1 217 . 1 1 140 140 LYS H H 1 8.835 . . 1 . . . . . 330 K HN . 27777 1 218 . 1 1 140 140 LYS N N 15 124.668 . . 1 . . . . . 330 K N . 27777 1 219 . 1 1 141 141 GLY H H 1 8.104 . . 1 . . . . . 331 G HN . 27777 1 220 . 1 1 141 141 GLY N N 15 110.498 . . 1 . . . . . 331 G N . 27777 1 221 . 1 1 142 142 ALA H H 1 8.320 . . 1 . . . . . 332 A HN . 27777 1 222 . 1 1 142 142 ALA N N 15 122.085 . . 1 . . . . . 332 A N . 27777 1 223 . 1 1 143 143 ILE H H 1 8.656 . . 1 . . . . . 333 I HN . 27777 1 224 . 1 1 143 143 ILE N N 15 122.421 . . 1 . . . . . 333 I N . 27777 1 225 . 1 1 144 144 GLU H H 1 9.210 . . 1 . . . . . 334 E HN . 27777 1 226 . 1 1 144 144 GLU N N 15 118.028 . . 1 . . . . . 334 E N . 27777 1 227 . 1 1 145 145 ASN H H 1 7.317 . . 1 . . . . . 335 N HN . 27777 1 228 . 1 1 145 145 ASN N N 15 118.635 . . 1 . . . . . 335 N N . 27777 1 229 . 1 1 146 146 CYS H H 1 8.649 . . 1 . . . . . 336 C HN . 27777 1 230 . 1 1 146 146 CYS N N 15 118.041 . . 1 . . . . . 336 C N . 27777 1 231 . 1 1 147 147 CYS H H 1 7.944 . . 1 . . . . . 337 C HN . 27777 1 232 . 1 1 147 147 CYS N N 15 117.480 . . 1 . . . . . 337 C N . 27777 1 233 . 1 1 148 148 ARG H H 1 7.732 . . 1 . . . . . 338 R HN . 27777 1 234 . 1 1 148 148 ARG N N 15 120.538 . . 1 . . . . . 338 R N . 27777 1 235 . 1 1 149 149 ALA H H 1 8.102 . . 1 . . . . . 339 A HN . 27777 1 236 . 1 1 149 149 ALA N N 15 121.009 . . 1 . . . . . 339 A N . 27777 1 237 . 1 1 150 150 GLU H H 1 8.492 . . 1 . . . . . 340 E HN . 27777 1 238 . 1 1 150 150 GLU N N 15 120.469 . . 1 . . . . . 340 E N . 27777 1 239 . 1 1 151 151 GLN H H 1 7.692 . . 1 . . . . . 341 Q HN . 27777 1 240 . 1 1 151 151 GLN N N 15 117.320 . . 1 . . . . . 341 Q N . 27777 1 241 . 1 1 152 152 GLU H H 1 7.562 . . 1 . . . . . 342 E HN . 27777 1 242 . 1 1 152 152 GLU N N 15 117.984 . . 1 . . . . . 342 E N . 27777 1 243 . 1 1 153 153 ILE H H 1 9.064 . . 1 . . . . . 343 I HN . 27777 1 244 . 1 1 153 153 ILE N N 15 120.707 . . 1 . . . . . 343 I N . 27777 1 245 . 1 1 154 154 MET H H 1 8.937 . . 1 . . . . . 344 M HN . 27777 1 246 . 1 1 154 154 MET N N 15 115.187 . . 1 . . . . . 344 M N . 27777 1 247 . 1 1 155 155 LYS H H 1 7.715 . . 1 . . . . . 345 K HN . 27777 1 248 . 1 1 155 155 LYS N N 15 121.350 . . 1 . . . . . 345 K N . 27777 1 249 . 1 1 156 156 LYS H H 1 7.320 . . 1 . . . . . 346 K HN . 27777 1 250 . 1 1 156 156 LYS N N 15 117.486 . . 1 . . . . . 346 K N . 27777 1 251 . 1 1 157 157 VAL H H 1 8.452 . . 1 . . . . . 347 V HN . 27777 1 252 . 1 1 157 157 VAL N N 15 123.631 . . 1 . . . . . 347 V N . 27777 1 253 . 1 1 158 158 ARG H H 1 8.672 . . 1 . . . . . 348 R HN . 27777 1 254 . 1 1 158 158 ARG N N 15 117.756 . . 1 . . . . . 348 R N . 27777 1 255 . 1 1 159 159 GLU H H 1 7.989 . . 1 . . . . . 349 E HN . 27777 1 256 . 1 1 159 159 GLU N N 15 118.914 . . 1 . . . . . 349 E N . 27777 1 257 . 1 1 160 160 ALA H H 1 7.733 . . 1 . . . . . 350 A HN . 27777 1 258 . 1 1 160 160 ALA N N 15 121.719 . . 1 . . . . . 350 A N . 27777 1 259 . 1 1 161 161 TYR H H 1 8.061 . . 1 . . . . . 351 Y HN . 27777 1 260 . 1 1 161 161 TYR N N 15 119.014 . . 1 . . . . . 351 Y N . 27777 1 261 . 1 1 162 162 GLU H H 1 8.279 . . 1 . . . . . 352 E HN . 27777 1 262 . 1 1 162 162 GLU N N 15 117.556 . . 1 . . . . . 352 E N . 27777 1 263 . 1 1 163 163 ASN H H 1 7.872 . . 1 . . . . . 353 N HN . 27777 1 264 . 1 1 163 163 ASN N N 15 116.004 . . 1 . . . . . 353 N N . 27777 1 265 . 1 1 164 164 ASP H H 1 8.142 . . 1 . . . . . 354 D HN . 27777 1 266 . 1 1 164 164 ASP N N 15 121.235 . . 1 . . . . . 354 D N . 27777 1 267 . 1 1 165 165 VAL H H 1 8.003 . . 1 . . . . . 355 V HN . 27777 1 268 . 1 1 165 165 VAL N N 15 120.089 . . 1 . . . . . 355 V N . 27777 1 269 . 1 1 166 166 ALA H H 1 8.102 . . 1 . . . . . 356 A HN . 27777 1 270 . 1 1 166 166 ALA N N 15 124.390 . . 1 . . . . . 356 A N . 27777 1 271 . 1 1 167 167 ALA H H 1 7.889 . . 1 . . . . . 357 A HN . 27777 1 272 . 1 1 167 167 ALA N N 15 120.693 . . 1 . . . . . 357 A N . 27777 1 273 . 1 1 168 168 MET H H 1 7.959 . . 1 . . . . . 358 M HN . 27777 1 274 . 1 1 168 168 MET N N 15 116.999 . . 1 . . . . . 358 M N . 27777 1 275 . 1 1 174 174 LEU H H 1 7.819 . . 1 . . . . . 364 L HN . 27777 1 276 . 1 1 174 174 LEU N N 15 122.061 . . 1 . . . . . 364 L N . 27777 1 277 . 1 1 175 175 ILE H H 1 7.930 . . 1 . . . . . 365 I HN . 27777 1 278 . 1 1 175 175 ILE N N 15 122.896 . . 1 . . . . . 365 I N . 27777 1 279 . 1 1 177 177 GLY H H 1 8.354 . . 1 . . . . . 367 G HN . 27777 1 280 . 1 1 177 177 GLY N N 15 109.071 . . 1 . . . . . 367 G N . 27777 1 281 . 1 1 178 178 LEU H H 1 7.934 . . 1 . . . . . 368 L HN . 27777 1 282 . 1 1 178 178 LEU N N 15 121.572 . . 1 . . . . . 368 L N . 27777 1 283 . 1 1 179 179 ASN H H 1 7.899 . . 1 . . . . . 369 N HN . 27777 1 284 . 1 1 179 179 ASN N N 15 124.146 . . 1 . . . . . 369 N N . 27777 1 stop_ save_