data_27827 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27827 _Entry.Title ; Human IMP3 KH1-2 delta 1 amide chemical shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-06 _Entry.Accession_date 2019-03-06 _Entry.Last_release_date 2019-03-06 _Entry.Original_release_date 2019-03-06 _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 'Human IMP3 KH1-2 delta1, residues K192-I355 carrying K213D, E214D as double mutation' _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 Andreas Schlundt . . . . 27827 2 Michael Sattler . . . . 27827 3 Masood Aziz . . . . 27827 4 Jacqueline Wagner . . . . 27827 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27827 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 145 27827 '1H chemical shifts' 145 27827 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 . . 2019-06-12 2019-03-06 update BMRB 'update entry citation' 27827 1 . . 2019-03-07 2019-03-06 original author 'original release' 27827 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27813 'Amide chemical shifts of human IMP3 RRM1-2 (1-156)' 27827 BMRB 27815 'Human IMP3 KH1-2 amide chemical shifts' 27827 BMRB 27816 'Human IMP3 KH1-2 delta2 amide chemical shifts' 27827 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27827 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-019-09769-8 _Citation.PubMed_ID 31118463 _Citation.Full_citation . _Citation.Title ; Combinatorial recognition of clustered RNA elements by the multidomain RNA-binding protein IMP3. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 2266 _Citation.Page_last 2266 _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 Tim Schneider . . . . 27827 1 2 Lee-Hsueh Hung . . . . 27827 1 3 Masood Aziz . . . . 27827 1 4 Anna Wilmen . . . . 27827 1 5 Stephanie Thaum . . . . 27827 1 6 Jacqueline Wagner . . . . 27827 1 7 Robert Janowski . . . . 27827 1 8 Simon Mueller . . . . 27827 1 9 Silke Schreiner . . . . 27827 1 10 Peter Friedhoff . . . . 27827 1 11 Stefan Huettelmaier . . . . 27827 1 12 Dierk Niessing . . . . 27827 1 13 Michael Sattler . . . . 27827 1 14 Andreas Schlundt . . . . 27827 1 15 Albrecht Bindereif . . . . 27827 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27827 _Assembly.ID 1 _Assembly.Name 'IMP3 KH1-2 delta1' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _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 'IMP3 KH1-2 delta1' 1 $IMP3_(IGF2BP3)_KH1-2_delta1 A . yes native no no . . . 27827 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IMP3_(IGF2BP3)_KH1-2_delta1 _Entity.Sf_category entity _Entity.Sf_framecode IMP3_(IGF2BP3)_KH1-2_delta1 _Entity.Entry_ID 27827 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IMP3_(IGF2BP3)_KH1-2_delta1 _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 ; GAMAKPCDLPLRLLVPTQFV GAIIGDDGATIRNITKQTQS KIDVHRKENAGAAEKSITIL STPEGTSAACKSILEIMHKE AQDIKFTEEIPLKILAHNNF VGRLIGKEGRNLKKIEQDTD TKITISPLQELTLYNPERTI TVKGNVETCAKAEEEIMKKI RESYENDI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; first Lys is amino acid 192, final Ile is 355 ; _Entity.Polymer_author_seq_details 'GAMA is artefact from cloning' _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 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 188 GLY . 27827 1 2 189 ALA . 27827 1 3 190 MET . 27827 1 4 191 ALA . 27827 1 5 192 LYS . 27827 1 6 193 PRO . 27827 1 7 194 CYS . 27827 1 8 195 ASP . 27827 1 9 196 LEU . 27827 1 10 197 PRO . 27827 1 11 198 LEU . 27827 1 12 199 ARG . 27827 1 13 200 LEU . 27827 1 14 201 LEU . 27827 1 15 202 VAL . 27827 1 16 203 PRO . 27827 1 17 204 THR . 27827 1 18 205 GLN . 27827 1 19 206 PHE . 27827 1 20 207 VAL . 27827 1 21 208 GLY . 27827 1 22 209 ALA . 27827 1 23 210 ILE . 27827 1 24 211 ILE . 27827 1 25 212 GLY . 27827 1 26 213 ASP . 27827 1 27 214 ASP . 27827 1 28 215 GLY . 27827 1 29 216 ALA . 27827 1 30 217 THR . 27827 1 31 218 ILE . 27827 1 32 219 ARG . 27827 1 33 220 ASN . 27827 1 34 221 ILE . 27827 1 35 222 THR . 27827 1 36 223 LYS . 27827 1 37 224 GLN . 27827 1 38 225 THR . 27827 1 39 226 GLN . 27827 1 40 227 SER . 27827 1 41 228 LYS . 27827 1 42 229 ILE . 27827 1 43 230 ASP . 27827 1 44 231 VAL . 27827 1 45 232 HIS . 27827 1 46 233 ARG . 27827 1 47 234 LYS . 27827 1 48 235 GLU . 27827 1 49 236 ASN . 27827 1 50 237 ALA . 27827 1 51 238 GLY . 27827 1 52 239 ALA . 27827 1 53 240 ALA . 27827 1 54 241 GLU . 27827 1 55 242 LYS . 27827 1 56 243 SER . 27827 1 57 244 ILE . 27827 1 58 245 THR . 27827 1 59 246 ILE . 27827 1 60 247 LEU . 27827 1 61 248 SER . 27827 1 62 249 THR . 27827 1 63 250 PRO . 27827 1 64 251 GLU . 27827 1 65 252 GLY . 27827 1 66 253 THR . 27827 1 67 254 SER . 27827 1 68 255 ALA . 27827 1 69 256 ALA . 27827 1 70 257 CYS . 27827 1 71 258 LYS . 27827 1 72 259 SER . 27827 1 73 260 ILE . 27827 1 74 261 LEU . 27827 1 75 262 GLU . 27827 1 76 263 ILE . 27827 1 77 264 MET . 27827 1 78 265 HIS . 27827 1 79 266 LYS . 27827 1 80 267 GLU . 27827 1 81 268 ALA . 27827 1 82 269 GLN . 27827 1 83 270 ASP . 27827 1 84 271 ILE . 27827 1 85 272 LYS . 27827 1 86 273 PHE . 27827 1 87 274 THR . 27827 1 88 275 GLU . 27827 1 89 276 GLU . 27827 1 90 277 ILE . 27827 1 91 278 PRO . 27827 1 92 279 LEU . 27827 1 93 280 LYS . 27827 1 94 281 ILE . 27827 1 95 282 LEU . 27827 1 96 283 ALA . 27827 1 97 284 HIS . 27827 1 98 285 ASN . 27827 1 99 286 ASN . 27827 1 100 287 PHE . 27827 1 101 288 VAL . 27827 1 102 289 GLY . 27827 1 103 290 ARG . 27827 1 104 291 LEU . 27827 1 105 292 ILE . 27827 1 106 293 GLY . 27827 1 107 294 LYS . 27827 1 108 295 GLU . 27827 1 109 296 GLY . 27827 1 110 297 ARG . 27827 1 111 298 ASN . 27827 1 112 299 LEU . 27827 1 113 300 LYS . 27827 1 114 301 LYS . 27827 1 115 302 ILE . 27827 1 116 303 GLU . 27827 1 117 304 GLN . 27827 1 118 305 ASP . 27827 1 119 306 THR . 27827 1 120 307 ASP . 27827 1 121 308 THR . 27827 1 122 309 LYS . 27827 1 123 310 ILE . 27827 1 124 311 THR . 27827 1 125 312 ILE . 27827 1 126 313 SER . 27827 1 127 314 PRO . 27827 1 128 315 LEU . 27827 1 129 316 GLN . 27827 1 130 317 GLU . 27827 1 131 318 LEU . 27827 1 132 319 THR . 27827 1 133 320 LEU . 27827 1 134 321 TYR . 27827 1 135 322 ASN . 27827 1 136 323 PRO . 27827 1 137 324 GLU . 27827 1 138 325 ARG . 27827 1 139 326 THR . 27827 1 140 327 ILE . 27827 1 141 328 THR . 27827 1 142 329 VAL . 27827 1 143 330 LYS . 27827 1 144 331 GLY . 27827 1 145 332 ASN . 27827 1 146 333 VAL . 27827 1 147 334 GLU . 27827 1 148 335 THR . 27827 1 149 336 CYS . 27827 1 150 337 ALA . 27827 1 151 338 LYS . 27827 1 152 339 ALA . 27827 1 153 340 GLU . 27827 1 154 341 GLU . 27827 1 155 342 GLU . 27827 1 156 343 ILE . 27827 1 157 344 MET . 27827 1 158 345 LYS . 27827 1 159 346 LYS . 27827 1 160 347 ILE . 27827 1 161 348 ARG . 27827 1 162 349 GLU . 27827 1 163 350 SER . 27827 1 164 351 TYR . 27827 1 165 352 GLU . 27827 1 166 353 ASN . 27827 1 167 354 ASP . 27827 1 168 355 ILE . 27827 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 27827 1 . ALA 2 2 27827 1 . MET 3 3 27827 1 . ALA 4 4 27827 1 . LYS 5 5 27827 1 . PRO 6 6 27827 1 . CYS 7 7 27827 1 . ASP 8 8 27827 1 . LEU 9 9 27827 1 . PRO 10 10 27827 1 . LEU 11 11 27827 1 . ARG 12 12 27827 1 . LEU 13 13 27827 1 . LEU 14 14 27827 1 . VAL 15 15 27827 1 . PRO 16 16 27827 1 . THR 17 17 27827 1 . GLN 18 18 27827 1 . PHE 19 19 27827 1 . VAL 20 20 27827 1 . GLY 21 21 27827 1 . ALA 22 22 27827 1 . ILE 23 23 27827 1 . ILE 24 24 27827 1 . GLY 25 25 27827 1 . ASP 26 26 27827 1 . ASP 27 27 27827 1 . GLY 28 28 27827 1 . ALA 29 29 27827 1 . THR 30 30 27827 1 . ILE 31 31 27827 1 . ARG 32 32 27827 1 . ASN 33 33 27827 1 . ILE 34 34 27827 1 . THR 35 35 27827 1 . LYS 36 36 27827 1 . GLN 37 37 27827 1 . THR 38 38 27827 1 . GLN 39 39 27827 1 . SER 40 40 27827 1 . LYS 41 41 27827 1 . ILE 42 42 27827 1 . ASP 43 43 27827 1 . VAL 44 44 27827 1 . HIS 45 45 27827 1 . ARG 46 46 27827 1 . LYS 47 47 27827 1 . GLU 48 48 27827 1 . ASN 49 49 27827 1 . ALA 50 50 27827 1 . GLY 51 51 27827 1 . ALA 52 52 27827 1 . ALA 53 53 27827 1 . GLU 54 54 27827 1 . LYS 55 55 27827 1 . SER 56 56 27827 1 . ILE 57 57 27827 1 . THR 58 58 27827 1 . ILE 59 59 27827 1 . LEU 60 60 27827 1 . SER 61 61 27827 1 . THR 62 62 27827 1 . PRO 63 63 27827 1 . GLU 64 64 27827 1 . GLY 65 65 27827 1 . THR 66 66 27827 1 . SER 67 67 27827 1 . ALA 68 68 27827 1 . ALA 69 69 27827 1 . CYS 70 70 27827 1 . LYS 71 71 27827 1 . SER 72 72 27827 1 . ILE 73 73 27827 1 . LEU 74 74 27827 1 . GLU 75 75 27827 1 . ILE 76 76 27827 1 . MET 77 77 27827 1 . HIS 78 78 27827 1 . LYS 79 79 27827 1 . GLU 80 80 27827 1 . ALA 81 81 27827 1 . GLN 82 82 27827 1 . ASP 83 83 27827 1 . ILE 84 84 27827 1 . LYS 85 85 27827 1 . PHE 86 86 27827 1 . THR 87 87 27827 1 . GLU 88 88 27827 1 . GLU 89 89 27827 1 . ILE 90 90 27827 1 . PRO 91 91 27827 1 . LEU 92 92 27827 1 . LYS 93 93 27827 1 . ILE 94 94 27827 1 . LEU 95 95 27827 1 . ALA 96 96 27827 1 . HIS 97 97 27827 1 . ASN 98 98 27827 1 . ASN 99 99 27827 1 . PHE 100 100 27827 1 . VAL 101 101 27827 1 . GLY 102 102 27827 1 . ARG 103 103 27827 1 . LEU 104 104 27827 1 . ILE 105 105 27827 1 . GLY 106 106 27827 1 . LYS 107 107 27827 1 . GLU 108 108 27827 1 . GLY 109 109 27827 1 . ARG 110 110 27827 1 . ASN 111 111 27827 1 . LEU 112 112 27827 1 . LYS 113 113 27827 1 . LYS 114 114 27827 1 . ILE 115 115 27827 1 . GLU 116 116 27827 1 . GLN 117 117 27827 1 . ASP 118 118 27827 1 . THR 119 119 27827 1 . ASP 120 120 27827 1 . THR 121 121 27827 1 . LYS 122 122 27827 1 . ILE 123 123 27827 1 . THR 124 124 27827 1 . ILE 125 125 27827 1 . SER 126 126 27827 1 . PRO 127 127 27827 1 . LEU 128 128 27827 1 . GLN 129 129 27827 1 . GLU 130 130 27827 1 . LEU 131 131 27827 1 . THR 132 132 27827 1 . LEU 133 133 27827 1 . TYR 134 134 27827 1 . ASN 135 135 27827 1 . PRO 136 136 27827 1 . GLU 137 137 27827 1 . ARG 138 138 27827 1 . THR 139 139 27827 1 . ILE 140 140 27827 1 . THR 141 141 27827 1 . VAL 142 142 27827 1 . LYS 143 143 27827 1 . GLY 144 144 27827 1 . ASN 145 145 27827 1 . VAL 146 146 27827 1 . GLU 147 147 27827 1 . THR 148 148 27827 1 . CYS 149 149 27827 1 . ALA 150 150 27827 1 . LYS 151 151 27827 1 . ALA 152 152 27827 1 . GLU 153 153 27827 1 . GLU 154 154 27827 1 . GLU 155 155 27827 1 . ILE 156 156 27827 1 . MET 157 157 27827 1 . LYS 158 158 27827 1 . LYS 159 159 27827 1 . ILE 160 160 27827 1 . ARG 161 161 27827 1 . GLU 162 162 27827 1 . SER 163 163 27827 1 . TYR 164 164 27827 1 . GLU 165 165 27827 1 . ASN 166 166 27827 1 . ASP 167 167 27827 1 . ILE 168 168 27827 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 27827 _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 $IMP3_(IGF2BP3)_KH1-2_delta1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27827 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 27827 _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 $IMP3_(IGF2BP3)_KH1-2_delta1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETTrx1a . . . 27827 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27827 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'IMP3 (IGF2BP3) KH1-2 delta1' [U-15N] . . 1 $IMP3_(IGF2BP3)_KH1-2_delta1 . . 0.125 0.05 0.2 mM . . . . 27827 1 2 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 27827 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27827 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27827 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27827 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 27827 _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 'ionic strength' 0.15 . M 27827 1 pH 6.5 . pH 27827 1 pressure 1 . atm 27827 1 temperature 298 . K 27827 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27827 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 27827 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27827 1 processing 27827 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 27827 _Software.ID 2 _Software.Type . _Software.Name CCPNMR_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27827 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27827 2 'data analysis' 27827 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27827 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27827 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27827 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 27827 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27827 _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 spectrometer_1 Bruker Avance . 600 . . . 27827 1 2 spectrometer_2 Bruker Avance . 800 . . . 27827 1 3 spectrometer_3 Bruker Avance . 900 . . . 27827 1 4 spectrometer_4 Bruker Avance . 950 . . . 27827 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 27827 _Experiment_list.ID 1 _Experiment_list.Details 'Assignment as compared with KH1-2 wt (entry 27815)' 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 . . . . . . . . . . . . . . . . . . . . . 27827 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 27827 _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 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27827 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 27827 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 27827 _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' . . . 27827 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 2 2 ALA H H 1 8.542 0.000 . 1 . . . . . 189 Ala H . 27827 1 2 . 1 1 2 2 ALA N N 15 123.243 0.000 . 1 . . . . . 189 Ala N . 27827 1 3 . 1 1 3 3 MET H H 1 8.378 0.001 . 1 . . . . . 190 Met H . 27827 1 4 . 1 1 3 3 MET N N 15 119.842 0.052 . 1 . . . . . 190 Met N . 27827 1 5 . 1 1 4 4 ALA H H 1 8.304 0.001 . 1 . . . . . 191 Ala H . 27827 1 6 . 1 1 4 4 ALA N N 15 126.077 0.009 . 1 . . . . . 191 Ala N . 27827 1 7 . 1 1 5 5 LYS H H 1 8.262 0.002 . 1 . . . . . 192 Lys H . 27827 1 8 . 1 1 5 5 LYS N N 15 122.186 0.005 . 1 . . . . . 192 Lys N . 27827 1 9 . 1 1 7 7 CYS H H 1 8.360 0.010 . 1 . . . . . 194 Cys H . 27827 1 10 . 1 1 7 7 CYS N N 15 119.555 0.011 . 1 . . . . . 194 Cys N . 27827 1 11 . 1 1 8 8 ASP H H 1 8.208 0.003 . 1 . . . . . 195 Asp H . 27827 1 12 . 1 1 8 8 ASP N N 15 123.789 0.027 . 1 . . . . . 195 Asp N . 27827 1 13 . 1 1 9 9 LEU H H 1 7.696 0.004 . 1 . . . . . 196 Leu H . 27827 1 14 . 1 1 9 9 LEU N N 15 122.688 0.003 . 1 . . . . . 196 Leu N . 27827 1 15 . 1 1 11 11 LEU H H 1 7.858 0.003 . 1 . . . . . 198 Leu H . 27827 1 16 . 1 1 11 11 LEU N N 15 123.560 0.004 . 1 . . . . . 198 Leu N . 27827 1 17 . 1 1 12 12 ARG H H 1 8.868 0.013 . 1 . . . . . 199 Arg H . 27827 1 18 . 1 1 12 12 ARG N N 15 128.664 0.028 . 1 . . . . . 199 Arg N . 27827 1 19 . 1 1 13 13 LEU H H 1 8.890 0.002 . 1 . . . . . 200 Leu H . 27827 1 20 . 1 1 13 13 LEU N N 15 121.449 0.018 . 1 . . . . . 200 Leu N . 27827 1 21 . 1 1 14 14 LEU H H 1 7.924 0.003 . 1 . . . . . 201 Leu H . 27827 1 22 . 1 1 14 14 LEU N N 15 119.969 0.052 . 1 . . . . . 201 Leu N . 27827 1 23 . 1 1 15 15 VAL H H 1 9.055 0.004 . 1 . . . . . 202 Val H . 27827 1 24 . 1 1 15 15 VAL N N 15 119.570 0.031 . 1 . . . . . 202 Val N . 27827 1 25 . 1 1 17 17 THR H H 1 8.595 0.003 . 1 . . . . . 204 Thr H . 27827 1 26 . 1 1 17 17 THR N N 15 122.340 0.015 . 1 . . . . . 204 Thr N . 27827 1 27 . 1 1 18 18 GLN H H 1 9.040 0.001 . 1 . . . . . 205 Gln H . 27827 1 28 . 1 1 18 18 GLN N N 15 118.727 0.014 . 1 . . . . . 205 Gln N . 27827 1 29 . 1 1 19 19 PHE H H 1 7.581 0.001 . 1 . . . . . 206 Phe H . 27827 1 30 . 1 1 19 19 PHE N N 15 115.436 0.018 . 1 . . . . . 206 Phe N . 27827 1 31 . 1 1 20 20 VAL H H 1 7.503 0.002 . 1 . . . . . 207 Val H . 27827 1 32 . 1 1 20 20 VAL N N 15 119.722 0.033 . 1 . . . . . 207 Val N . 27827 1 33 . 1 1 21 21 GLY H H 1 8.621 0.001 . 1 . . . . . 208 Gly H . 27827 1 34 . 1 1 21 21 GLY N N 15 107.622 0.019 . 1 . . . . . 208 Gly N . 27827 1 35 . 1 1 22 22 ALA H H 1 7.788 0.003 . 1 . . . . . 209 Ala H . 27827 1 36 . 1 1 22 22 ALA N N 15 124.184 0.015 . 1 . . . . . 209 Ala N . 27827 1 37 . 1 1 23 23 ILE H H 1 7.347 0.002 . 1 . . . . . 210 Ile H . 27827 1 38 . 1 1 23 23 ILE N N 15 117.639 0.030 . 1 . . . . . 210 Ile N . 27827 1 39 . 1 1 25 25 GLY H H 1 8.062 0.002 . 1 . . . . . 212 Gly H . 27827 1 40 . 1 1 25 25 GLY N N 15 106.460 0.019 . 1 . . . . . 212 Gly N . 27827 1 41 . 1 1 27 27 ASP H H 1 8.585 0.000 . 1 . . . . . 214 Asp H . 27827 1 42 . 1 1 27 27 ASP N N 15 121.850 0.000 . 1 . . . . . 214 Asp N . 27827 1 43 . 1 1 28 28 GLY H H 1 8.182 0.341 . 1 . . . . . 215 Gly H . 27827 1 44 . 1 1 28 28 GLY N N 15 108.455 2.379 . 1 . . . . . 215 Gly N . 27827 1 45 . 1 1 29 29 ALA H H 1 8.030 0.004 . 1 . . . . . 216 Ala H . 27827 1 46 . 1 1 29 29 ALA N N 15 123.481 0.020 . 1 . . . . . 216 Ala N . 27827 1 47 . 1 1 30 30 THR H H 1 8.049 0.001 . 1 . . . . . 217 Thr H . 27827 1 48 . 1 1 30 30 THR N N 15 114.150 0.010 . 1 . . . . . 217 Thr N . 27827 1 49 . 1 1 31 31 ILE H H 1 8.061 0.001 . 1 . . . . . 218 Ile H . 27827 1 50 . 1 1 31 31 ILE N N 15 123.332 0.040 . 1 . . . . . 218 Ile N . 27827 1 51 . 1 1 32 32 ARG H H 1 8.191 0.000 . 1 . . . . . 219 Arg H . 27827 1 52 . 1 1 32 32 ARG N N 15 124.771 0.000 . 1 . . . . . 219 Arg N . 27827 1 53 . 1 1 34 34 ILE H H 1 8.206 0.010 . 1 . . . . . 221 Ile H . 27827 1 54 . 1 1 34 34 ILE N N 15 121.555 0.017 . 1 . . . . . 221 Ile N . 27827 1 55 . 1 1 35 35 THR H H 1 7.923 0.005 . 1 . . . . . 222 Thr H . 27827 1 56 . 1 1 35 35 THR N N 15 115.547 0.017 . 1 . . . . . 222 Thr N . 27827 1 57 . 1 1 36 36 LYS H H 1 8.181 0.001 . 1 . . . . . 223 Lys H . 27827 1 58 . 1 1 36 36 LYS N N 15 125.593 0.021 . 1 . . . . . 223 Lys N . 27827 1 59 . 1 1 38 38 THR H H 1 8.148 0.005 . 1 . . . . . 225 Thr H . 27827 1 60 . 1 1 38 38 THR N N 15 115.853 0.051 . 1 . . . . . 225 Thr N . 27827 1 61 . 1 1 39 39 GLN H H 1 8.243 0.002 . 1 . . . . . 226 Gln H . 27827 1 62 . 1 1 39 39 GLN N N 15 124.099 0.013 . 1 . . . . . 226 Gln N . 27827 1 63 . 1 1 40 40 SER H H 1 8.242 0.000 . 1 . . . . . 227 Ser H . 27827 1 64 . 1 1 40 40 SER N N 15 116.519 0.000 . 1 . . . . . 227 Ser N . 27827 1 65 . 1 1 41 41 LYS H H 1 8.287 0.002 . 1 . . . . . 228 Lys H . 27827 1 66 . 1 1 41 41 LYS N N 15 123.334 0.073 . 1 . . . . . 228 Lys N . 27827 1 67 . 1 1 42 42 ILE H H 1 7.951 0.004 . 1 . . . . . 229 Ile H . 27827 1 68 . 1 1 42 42 ILE N N 15 121.326 0.003 . 1 . . . . . 229 Ile N . 27827 1 69 . 1 1 43 43 ASP H H 1 8.294 0.001 . 1 . . . . . 230 Asp H . 27827 1 70 . 1 1 43 43 ASP N N 15 124.529 0.016 . 1 . . . . . 230 Asp N . 27827 1 71 . 1 1 44 44 VAL H H 1 7.967 0.006 . 1 . . . . . 231 Val H . 27827 1 72 . 1 1 44 44 VAL N N 15 120.227 0.062 . 1 . . . . . 231 Val N . 27827 1 73 . 1 1 45 45 HIS H H 1 8.310 0.002 . 1 . . . . . 232 His H . 27827 1 74 . 1 1 45 45 HIS N N 15 121.076 0.022 . 1 . . . . . 232 His N . 27827 1 75 . 1 1 46 46 ARG H H 1 8.026 0.001 . 1 . . . . . 233 Arg H . 27827 1 76 . 1 1 46 46 ARG N N 15 122.383 0.035 . 1 . . . . . 233 Arg N . 27827 1 77 . 1 1 47 47 LYS H H 1 8.143 0.000 . 1 . . . . . 234 Lys H . 27827 1 78 . 1 1 47 47 LYS N N 15 122.619 0.018 . 1 . . . . . 234 Lys N . 27827 1 79 . 1 1 48 48 GLU H H 1 8.333 0.003 . 1 . . . . . 235 Glu H . 27827 1 80 . 1 1 48 48 GLU N N 15 121.623 0.086 . 1 . . . . . 235 Glu N . 27827 1 81 . 1 1 49 49 ASN H H 1 8.464 0.006 . 1 . . . . . 236 Asn H . 27827 1 82 . 1 1 49 49 ASN N N 15 118.477 0.025 . 1 . . . . . 236 Asn N . 27827 1 83 . 1 1 50 50 ALA H H 1 8.210 0.003 . 1 . . . . . 237 Ala H . 27827 1 84 . 1 1 50 50 ALA N N 15 124.852 0.027 . 1 . . . . . 237 Ala N . 27827 1 85 . 1 1 51 51 GLY H H 1 8.328 0.007 . 1 . . . . . 238 Gly H . 27827 1 86 . 1 1 51 51 GLY N N 15 108.083 0.027 . 1 . . . . . 238 Gly N . 27827 1 87 . 1 1 52 52 ALA H H 1 7.823 0.001 . 1 . . . . . 239 Ala H . 27827 1 88 . 1 1 52 52 ALA N N 15 122.866 0.005 . 1 . . . . . 239 Ala N . 27827 1 89 . 1 1 53 53 ALA H H 1 8.594 0.003 . 1 . . . . . 240 Ala H . 27827 1 90 . 1 1 53 53 ALA N N 15 123.245 0.036 . 1 . . . . . 240 Ala N . 27827 1 91 . 1 1 54 54 GLU H H 1 7.556 0.003 . 1 . . . . . 241 Glu H . 27827 1 92 . 1 1 54 54 GLU N N 15 117.790 0.012 . 1 . . . . . 241 Glu N . 27827 1 93 . 1 1 55 55 LYS H H 1 8.922 0.002 . 1 . . . . . 242 Lys H . 27827 1 94 . 1 1 55 55 LYS N N 15 118.970 0.018 . 1 . . . . . 242 Lys N . 27827 1 95 . 1 1 56 56 SER H H 1 8.751 0.002 . 1 . . . . . 243 Ser H . 27827 1 96 . 1 1 56 56 SER N N 15 116.841 0.014 . 1 . . . . . 243 Ser N . 27827 1 97 . 1 1 57 57 ILE H H 1 8.841 0.004 . 1 . . . . . 244 Ile H . 27827 1 98 . 1 1 57 57 ILE N N 15 122.021 0.002 . 1 . . . . . 244 Ile N . 27827 1 99 . 1 1 58 58 THR H H 1 8.798 0.010 . 1 . . . . . 245 Thr H . 27827 1 100 . 1 1 58 58 THR N N 15 121.868 0.086 . 1 . . . . . 245 Thr N . 27827 1 101 . 1 1 59 59 ILE H H 1 8.178 0.002 . 1 . . . . . 246 Ile H . 27827 1 102 . 1 1 59 59 ILE N N 15 124.297 0.076 . 1 . . . . . 246 Ile N . 27827 1 103 . 1 1 60 60 LEU H H 1 8.277 0.001 . 1 . . . . . 247 Leu H . 27827 1 104 . 1 1 60 60 LEU N N 15 126.508 0.019 . 1 . . . . . 247 Leu N . 27827 1 105 . 1 1 61 61 SER H H 1 8.217 0.001 . 1 . . . . . 248 Ser H . 27827 1 106 . 1 1 61 61 SER N N 15 117.055 0.037 . 1 . . . . . 248 Ser N . 27827 1 107 . 1 1 62 62 THR H H 1 8.208 0.139 . 1 . . . . . 249 Thr H . 27827 1 108 . 1 1 62 62 THR N N 15 115.002 3.495 . 1 . . . . . 249 Thr N . 27827 1 109 . 1 1 64 64 GLU H H 1 9.022 0.010 . 1 . . . . . 251 Glu H . 27827 1 110 . 1 1 64 64 GLU N N 15 116.183 0.101 . 1 . . . . . 251 Glu N . 27827 1 111 . 1 1 65 65 GLY H H 1 8.194 0.003 . 1 . . . . . 252 Gly H . 27827 1 112 . 1 1 65 65 GLY N N 15 112.257 0.020 . 1 . . . . . 252 Gly N . 27827 1 113 . 1 1 66 66 THR H H 1 8.723 0.003 . 1 . . . . . 253 Thr H . 27827 1 114 . 1 1 66 66 THR N N 15 117.791 0.047 . 1 . . . . . 253 Thr N . 27827 1 115 . 1 1 67 67 SER H H 1 7.996 0.014 . 1 . . . . . 254 Ser H . 27827 1 116 . 1 1 67 67 SER N N 15 118.647 0.068 . 1 . . . . . 254 Ser N . 27827 1 117 . 1 1 68 68 ALA H H 1 7.935 0.004 . 1 . . . . . 255 Ala H . 27827 1 118 . 1 1 68 68 ALA N N 15 124.723 0.036 . 1 . . . . . 255 Ala N . 27827 1 119 . 1 1 69 69 ALA H H 1 8.622 0.005 . 1 . . . . . 256 Ala H . 27827 1 120 . 1 1 69 69 ALA N N 15 122.887 0.043 . 1 . . . . . 256 Ala N . 27827 1 121 . 1 1 70 70 CYS H H 1 8.303 0.004 . 1 . . . . . 257 Cys H . 27827 1 122 . 1 1 70 70 CYS N N 15 117.051 0.028 . 1 . . . . . 257 Cys N . 27827 1 123 . 1 1 71 71 LYS H H 1 8.182 0.007 . 1 . . . . . 258 Lys H . 27827 1 124 . 1 1 71 71 LYS N N 15 118.647 0.050 . 1 . . . . . 258 Lys N . 27827 1 125 . 1 1 72 72 SER H H 1 8.297 0.002 . 1 . . . . . 259 Ser H . 27827 1 126 . 1 1 72 72 SER N N 15 118.343 0.136 . 1 . . . . . 259 Ser N . 27827 1 127 . 1 1 73 73 ILE H H 1 8.109 0.001 . 1 . . . . . 260 Ile H . 27827 1 128 . 1 1 73 73 ILE N N 15 122.401 0.039 . 1 . . . . . 260 Ile N . 27827 1 129 . 1 1 74 74 LEU H H 1 8.188 0.000 . 1 . . . . . 261 Leu H . 27827 1 130 . 1 1 74 74 LEU N N 15 126.141 0.000 . 1 . . . . . 261 Leu N . 27827 1 131 . 1 1 75 75 GLU H H 1 7.945 0.001 . 1 . . . . . 262 Glu H . 27827 1 132 . 1 1 75 75 GLU N N 15 122.019 0.018 . 1 . . . . . 262 Glu N . 27827 1 133 . 1 1 78 78 HIS H H 1 8.064 0.003 . 1 . . . . . 265 His H . 27827 1 134 . 1 1 78 78 HIS N N 15 122.256 0.055 . 1 . . . . . 265 His N . 27827 1 135 . 1 1 79 79 LYS H H 1 8.360 0.004 . 1 . . . . . 266 Lys H . 27827 1 136 . 1 1 79 79 LYS N N 15 122.912 0.046 . 1 . . . . . 266 Lys N . 27827 1 137 . 1 1 80 80 GLU H H 1 8.483 0.002 . 1 . . . . . 267 Glu H . 27827 1 138 . 1 1 80 80 GLU N N 15 121.915 0.018 . 1 . . . . . 267 Glu N . 27827 1 139 . 1 1 81 81 ALA H H 1 8.220 0.006 . 1 . . . . . 268 Ala H . 27827 1 140 . 1 1 81 81 ALA N N 15 124.557 0.039 . 1 . . . . . 268 Ala N . 27827 1 141 . 1 1 82 82 GLN H H 1 8.166 0.002 . 1 . . . . . 269 Gln H . 27827 1 142 . 1 1 82 82 GLN N N 15 118.461 0.022 . 1 . . . . . 269 Gln N . 27827 1 143 . 1 1 84 84 ILE H H 1 7.907 0.010 . 1 . . . . . 271 Ile H . 27827 1 144 . 1 1 84 84 ILE N N 15 112.177 0.025 . 1 . . . . . 271 Ile N . 27827 1 145 . 1 1 85 85 LYS H H 1 7.815 0.000 . 1 . . . . . 272 Lys H . 27827 1 146 . 1 1 85 85 LYS N N 15 119.578 0.035 . 1 . . . . . 272 Lys N . 27827 1 147 . 1 1 86 86 PHE H H 1 8.640 0.006 . 1 . . . . . 273 Phe H . 27827 1 148 . 1 1 86 86 PHE N N 15 121.553 0.027 . 1 . . . . . 273 Phe N . 27827 1 149 . 1 1 87 87 THR H H 1 8.151 0.000 . 1 . . . . . 274 Thr H . 27827 1 150 . 1 1 87 87 THR N N 15 116.995 0.016 . 1 . . . . . 274 Thr N . 27827 1 151 . 1 1 88 88 GLU H H 1 6.172 0.019 . 1 . . . . . 275 Glu H . 27827 1 152 . 1 1 88 88 GLU N N 15 120.282 0.036 . 1 . . . . . 275 Glu N . 27827 1 153 . 1 1 89 89 GLU H H 1 8.242 0.004 . 1 . . . . . 276 Glu H . 27827 1 154 . 1 1 89 89 GLU N N 15 119.313 0.054 . 1 . . . . . 276 Glu N . 27827 1 155 . 1 1 90 90 ILE H H 1 8.712 0.002 . 1 . . . . . 277 Ile H . 27827 1 156 . 1 1 90 90 ILE N N 15 122.768 0.083 . 1 . . . . . 277 Ile N . 27827 1 157 . 1 1 92 92 LEU H H 1 8.412 0.009 . 1 . . . . . 279 Leu H . 27827 1 158 . 1 1 92 92 LEU N N 15 122.922 0.054 . 1 . . . . . 279 Leu N . 27827 1 159 . 1 1 93 93 LYS H H 1 8.750 0.003 . 1 . . . . . 280 Lys H . 27827 1 160 . 1 1 93 93 LYS N N 15 128.092 0.033 . 1 . . . . . 280 Lys N . 27827 1 161 . 1 1 94 94 ILE H H 1 9.049 0.005 . 1 . . . . . 281 Ile H . 27827 1 162 . 1 1 94 94 ILE N N 15 123.775 0.061 . 1 . . . . . 281 Ile N . 27827 1 163 . 1 1 95 95 LEU H H 1 8.503 0.003 . 1 . . . . . 282 Leu H . 27827 1 164 . 1 1 95 95 LEU N N 15 127.162 0.023 . 1 . . . . . 282 Leu N . 27827 1 165 . 1 1 96 96 ALA H H 1 8.756 0.001 . 1 . . . . . 283 Ala H . 27827 1 166 . 1 1 96 96 ALA N N 15 124.015 0.031 . 1 . . . . . 283 Ala N . 27827 1 167 . 1 1 97 97 HIS H H 1 8.903 0.005 . 1 . . . . . 284 His H . 27827 1 168 . 1 1 97 97 HIS N N 15 124.215 0.053 . 1 . . . . . 284 His N . 27827 1 169 . 1 1 100 100 PHE H H 1 8.054 0.009 . 1 . . . . . 287 Phe H . 27827 1 170 . 1 1 100 100 PHE N N 15 115.933 0.046 . 1 . . . . . 287 Phe N . 27827 1 171 . 1 1 101 101 VAL H H 1 7.145 0.006 . 1 . . . . . 288 Val H . 27827 1 172 . 1 1 101 101 VAL N N 15 110.401 0.147 . 1 . . . . . 288 Val N . 27827 1 173 . 1 1 102 102 GLY H H 1 8.704 0.006 . 1 . . . . . 289 Gly H . 27827 1 174 . 1 1 102 102 GLY N N 15 110.484 0.044 . 1 . . . . . 289 Gly N . 27827 1 175 . 1 1 103 103 ARG H H 1 7.805 0.005 . 1 . . . . . 290 Arg H . 27827 1 176 . 1 1 103 103 ARG N N 15 118.926 0.028 . 1 . . . . . 290 Arg N . 27827 1 177 . 1 1 104 104 LEU H H 1 7.792 0.000 . 1 . . . . . 291 Leu H . 27827 1 178 . 1 1 104 104 LEU N N 15 120.177 0.000 . 1 . . . . . 291 Leu N . 27827 1 179 . 1 1 105 105 ILE H H 1 7.995 0.004 . 1 . . . . . 292 Ile H . 27827 1 180 . 1 1 105 105 ILE N N 15 121.183 0.013 . 1 . . . . . 292 Ile N . 27827 1 181 . 1 1 106 106 GLY H H 1 7.882 0.362 . 1 . . . . . 293 Gly H . 27827 1 182 . 1 1 106 106 GLY N N 15 108.763 3.096 . 1 . . . . . 293 Gly N . 27827 1 183 . 1 1 107 107 LYS H H 1 8.181 0.001 . 1 . . . . . 294 Lys H . 27827 1 184 . 1 1 107 107 LYS N N 15 120.930 0.011 . 1 . . . . . 294 Lys N . 27827 1 185 . 1 1 108 108 GLU H H 1 8.470 0.004 . 1 . . . . . 295 Glu H . 27827 1 186 . 1 1 108 108 GLU N N 15 121.544 0.068 . 1 . . . . . 295 Glu N . 27827 1 187 . 1 1 109 109 GLY H H 1 7.646 0.006 . 1 . . . . . 296 Gly H . 27827 1 188 . 1 1 109 109 GLY N N 15 105.673 0.038 . 1 . . . . . 296 Gly N . 27827 1 189 . 1 1 110 110 ARG H H 1 7.982 0.005 . 1 . . . . . 297 Arg H . 27827 1 190 . 1 1 110 110 ARG N N 15 118.940 0.009 . 1 . . . . . 297 Arg N . 27827 1 191 . 1 1 113 113 LYS H H 1 7.547 0.008 . 1 . . . . . 300 Lys H . 27827 1 192 . 1 1 113 113 LYS N N 15 117.164 0.016 . 1 . . . . . 300 Lys N . 27827 1 193 . 1 1 114 114 LYS H H 1 7.451 0.004 . 1 . . . . . 301 Lys H . 27827 1 194 . 1 1 114 114 LYS N N 15 119.887 0.025 . 1 . . . . . 301 Lys N . 27827 1 195 . 1 1 115 115 ILE H H 1 7.586 0.002 . 1 . . . . . 302 Ile H . 27827 1 196 . 1 1 115 115 ILE N N 15 118.885 0.032 . 1 . . . . . 302 Ile N . 27827 1 197 . 1 1 116 116 GLU H H 1 8.328 0.001 . 1 . . . . . 303 Glu H . 27827 1 198 . 1 1 116 116 GLU N N 15 122.712 0.031 . 1 . . . . . 303 Glu N . 27827 1 199 . 1 1 117 117 GLN H H 1 7.958 0.011 . 1 . . . . . 304 Gln H . 27827 1 200 . 1 1 117 117 GLN N N 15 117.665 0.015 . 1 . . . . . 304 Gln N . 27827 1 201 . 1 1 118 118 ASP H H 1 8.750 0.011 . 1 . . . . . 305 Asp H . 27827 1 202 . 1 1 118 118 ASP N N 15 119.018 0.016 . 1 . . . . . 305 Asp N . 27827 1 203 . 1 1 119 119 THR H H 1 7.768 0.007 . 1 . . . . . 306 Thr H . 27827 1 204 . 1 1 119 119 THR N N 15 106.037 0.035 . 1 . . . . . 306 Thr N . 27827 1 205 . 1 1 120 120 ASP H H 1 7.942 0.006 . 1 . . . . . 307 Asp H . 27827 1 206 . 1 1 120 120 ASP N N 15 120.295 0.031 . 1 . . . . . 307 Asp N . 27827 1 207 . 1 1 121 121 THR H H 1 7.759 0.009 . 1 . . . . . 308 Thr H . 27827 1 208 . 1 1 121 121 THR N N 15 107.330 0.055 . 1 . . . . . 308 Thr N . 27827 1 209 . 1 1 122 122 LYS H H 1 7.704 0.002 . 1 . . . . . 309 Lys H . 27827 1 210 . 1 1 122 122 LYS N N 15 116.398 0.006 . 1 . . . . . 309 Lys N . 27827 1 211 . 1 1 123 123 ILE H H 1 10.273 0.000 . 1 . . . . . 310 Ile H . 27827 1 212 . 1 1 123 123 ILE N N 15 128.237 0.084 . 1 . . . . . 310 Ile N . 27827 1 213 . 1 1 124 124 THR H H 1 8.823 0.009 . 1 . . . . . 311 Thr H . 27827 1 214 . 1 1 124 124 THR N N 15 118.581 0.115 . 1 . . . . . 311 Thr N . 27827 1 215 . 1 1 125 125 ILE H H 1 8.613 0.012 . 1 . . . . . 312 Ile H . 27827 1 216 . 1 1 125 125 ILE N N 15 121.189 0.025 . 1 . . . . . 312 Ile N . 27827 1 217 . 1 1 126 126 SER H H 1 8.562 0.004 . 1 . . . . . 313 Ser H . 27827 1 218 . 1 1 126 126 SER N N 15 125.530 0.021 . 1 . . . . . 313 Ser N . 27827 1 219 . 1 1 128 128 LEU H H 1 8.104 0.002 . 1 . . . . . 315 Leu H . 27827 1 220 . 1 1 128 128 LEU N N 15 121.512 0.027 . 1 . . . . . 315 Leu N . 27827 1 221 . 1 1 129 129 GLN H H 1 8.661 0.008 . 1 . . . . . 316 Gln H . 27827 1 222 . 1 1 129 129 GLN N N 15 118.852 0.095 . 1 . . . . . 316 Gln N . 27827 1 223 . 1 1 130 130 GLU H H 1 7.655 0.002 . 1 . . . . . 317 Glu H . 27827 1 224 . 1 1 130 130 GLU N N 15 118.022 0.035 . 1 . . . . . 317 Glu N . 27827 1 225 . 1 1 131 131 LEU H H 1 7.816 0.001 . 1 . . . . . 318 Leu H . 27827 1 226 . 1 1 131 131 LEU N N 15 121.620 0.005 . 1 . . . . . 318 Leu N . 27827 1 227 . 1 1 132 132 THR H H 1 7.761 0.005 . 1 . . . . . 319 Thr H . 27827 1 228 . 1 1 132 132 THR N N 15 112.856 0.059 . 1 . . . . . 319 Thr N . 27827 1 229 . 1 1 137 137 GLU H H 1 8.344 0.011 . 1 . . . . . 324 Glu H . 27827 1 230 . 1 1 137 137 GLU N N 15 125.374 0.027 . 1 . . . . . 324 Glu N . 27827 1 231 . 1 1 138 138 ARG H H 1 8.866 0.005 . 1 . . . . . 325 Arg H . 27827 1 232 . 1 1 138 138 ARG N N 15 122.434 0.025 . 1 . . . . . 325 Arg N . 27827 1 233 . 1 1 139 139 THR H H 1 8.380 0.301 . 1 . . . . . 326 Thr H . 27827 1 234 . 1 1 139 139 THR N N 15 115.967 0.757 . 1 . . . . . 326 Thr N . 27827 1 235 . 1 1 140 140 ILE H H 1 10.111 0.009 . 1 . . . . . 327 Ile H . 27827 1 236 . 1 1 140 140 ILE N N 15 133.886 0.045 . 1 . . . . . 327 Ile N . 27827 1 237 . 1 1 141 141 THR H H 1 9.133 0.004 . 1 . . . . . 328 Thr H . 27827 1 238 . 1 1 141 141 THR N N 15 124.682 0.006 . 1 . . . . . 328 Thr N . 27827 1 239 . 1 1 142 142 VAL H H 1 9.656 0.004 . 1 . . . . . 329 Val H . 27827 1 240 . 1 1 142 142 VAL N N 15 128.524 0.014 . 1 . . . . . 329 Val N . 27827 1 241 . 1 1 143 143 LYS H H 1 9.017 0.009 . 1 . . . . . 330 Lys H . 27827 1 242 . 1 1 143 143 LYS N N 15 126.494 0.014 . 1 . . . . . 330 Lys N . 27827 1 243 . 1 1 144 144 GLY H H 1 8.060 0.005 . 1 . . . . . 331 Gly H . 27827 1 244 . 1 1 144 144 GLY N N 15 112.669 0.035 . 1 . . . . . 331 Gly N . 27827 1 245 . 1 1 145 145 ASN H H 1 7.898 0.001 . 1 . . . . . 332 Asn H . 27827 1 246 . 1 1 145 145 ASN N N 15 120.969 0.023 . 1 . . . . . 332 Asn N . 27827 1 247 . 1 1 146 146 VAL H H 1 8.082 0.008 . 1 . . . . . 333 Val H . 27827 1 248 . 1 1 146 146 VAL N N 15 118.028 0.007 . 1 . . . . . 333 Val N . 27827 1 249 . 1 1 147 147 GLU H H 1 7.677 0.006 . 1 . . . . . 334 Glu H . 27827 1 250 . 1 1 147 147 GLU N N 15 114.762 0.017 . 1 . . . . . 334 Glu N . 27827 1 251 . 1 1 148 148 THR H H 1 8.705 0.001 . 1 . . . . . 335 Thr H . 27827 1 252 . 1 1 148 148 THR N N 15 113.776 0.008 . 1 . . . . . 335 Thr N . 27827 1 253 . 1 1 149 149 CYS H H 1 8.758 0.003 . 1 . . . . . 336 Cys H . 27827 1 254 . 1 1 149 149 CYS N N 15 119.641 0.014 . 1 . . . . . 336 Cys N . 27827 1 255 . 1 1 150 150 ALA H H 1 7.495 0.006 . 1 . . . . . 337 Ala H . 27827 1 256 . 1 1 150 150 ALA N N 15 120.546 0.025 . 1 . . . . . 337 Ala N . 27827 1 257 . 1 1 151 151 LYS H H 1 7.438 0.006 . 1 . . . . . 338 Lys H . 27827 1 258 . 1 1 151 151 LYS N N 15 117.399 0.059 . 1 . . . . . 338 Lys N . 27827 1 259 . 1 1 152 152 ALA H H 1 8.289 0.012 . 1 . . . . . 339 Ala H . 27827 1 260 . 1 1 152 152 ALA N N 15 120.484 0.035 . 1 . . . . . 339 Ala N . 27827 1 261 . 1 1 153 153 GLU H H 1 8.431 0.007 . 1 . . . . . 340 Glu H . 27827 1 262 . 1 1 153 153 GLU N N 15 119.413 0.111 . 1 . . . . . 340 Glu N . 27827 1 263 . 1 1 154 154 GLU H H 1 7.514 0.004 . 1 . . . . . 341 Glu H . 27827 1 264 . 1 1 154 154 GLU N N 15 118.571 0.080 . 1 . . . . . 341 Glu N . 27827 1 265 . 1 1 155 155 GLU H H 1 7.570 0.006 . 1 . . . . . 342 Glu H . 27827 1 266 . 1 1 155 155 GLU N N 15 117.232 0.052 . 1 . . . . . 342 Glu N . 27827 1 267 . 1 1 156 156 ILE H H 1 9.129 0.014 . 1 . . . . . 343 Ile H . 27827 1 268 . 1 1 156 156 ILE N N 15 121.515 0.046 . 1 . . . . . 343 Ile N . 27827 1 269 . 1 1 157 157 MET H H 1 8.697 0.019 . 1 . . . . . 344 Met H . 27827 1 270 . 1 1 157 157 MET N N 15 115.716 0.048 . 1 . . . . . 344 Met N . 27827 1 271 . 1 1 158 158 LYS H H 1 7.659 0.010 . 1 . . . . . 345 Lys H . 27827 1 272 . 1 1 158 158 LYS N N 15 120.243 0.017 . 1 . . . . . 345 Lys N . 27827 1 273 . 1 1 159 159 LYS H H 1 7.244 0.000 . 1 . . . . . 346 Lys H . 27827 1 274 . 1 1 159 159 LYS N N 15 116.918 0.025 . 1 . . . . . 346 Lys N . 27827 1 275 . 1 1 160 160 ILE H H 1 8.249 0.002 . 1 . . . . . 347 Ile H . 27827 1 276 . 1 1 160 160 ILE N N 15 123.502 0.117 . 1 . . . . . 347 Ile N . 27827 1 277 . 1 1 161 161 ARG H H 1 8.695 0.009 . 1 . . . . . 348 Arg H . 27827 1 278 . 1 1 161 161 ARG N N 15 119.198 0.000 . 1 . . . . . 348 Arg N . 27827 1 279 . 1 1 162 162 GLU H H 1 7.918 0.002 . 1 . . . . . 349 Glu H . 27827 1 280 . 1 1 162 162 GLU N N 15 118.255 0.002 . 1 . . . . . 349 Glu N . 27827 1 281 . 1 1 163 163 SER H H 1 7.564 0.006 . 1 . . . . . 350 Ser H . 27827 1 282 . 1 1 163 163 SER N N 15 114.290 0.076 . 1 . . . . . 350 Ser N . 27827 1 283 . 1 1 165 165 GLU H H 1 8.171 0.005 . 1 . . . . . 352 Glu H . 27827 1 284 . 1 1 165 165 GLU N N 15 115.159 0.115 . 1 . . . . . 352 Glu N . 27827 1 285 . 1 1 166 166 ASN H H 1 7.616 0.010 . 1 . . . . . 353 Asn H . 27827 1 286 . 1 1 166 166 ASN N N 15 114.638 0.121 . 1 . . . . . 353 Asn N . 27827 1 287 . 1 1 167 167 ASP H H 1 8.550 0.006 . 1 . . . . . 354 Asp H . 27827 1 288 . 1 1 167 167 ASP N N 15 120.734 0.034 . 1 . . . . . 354 Asp N . 27827 1 289 . 1 1 168 168 ILE H H 1 7.398 0.005 . 1 . . . . . 355 Ile H . 27827 1 290 . 1 1 168 168 ILE N N 15 124.194 0.027 . 1 . . . . . 355 Ile N . 27827 1 stop_ save_