data_50332 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50332 _Entry.Title ; Backbone relaxation rates for apo form of the solute binding protein PiuA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-19 _Entry.Accession_date 2020-06-19 _Entry.Last_release_date 2020-06-19 _Entry.Original_release_date 2020-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Katherine Edmonds . A. . 0000-0002-1282-9858 50332 2 Yifan Zhang . . . 0000-0001-7048-1098 50332 3 Hongwei Wu . . . . 50332 4 David Giedroc . P. . 0000-0002-2342-1620 50332 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 50332 heteronucl_T1_relaxation 1 50332 heteronucl_T2_relaxation 1 50332 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 234 50332 'T2 relaxation values' 236 50332 'heteronuclear NOE values' 234 50332 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-05-13 2020-06-19 update BMRB 'update entry citation' 50332 1 . . 2020-08-25 2020-06-19 original author 'original release' 50332 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28056 'Backbone assignments of the apo form of the solute binding protein PiuA' 50332 BMRB 28057 'Backbone assignments of the holo form of the solute binding protein PiuA, with Ga(III) 4-LICAM' 50332 BMRB 50333 'Backbone relaxation rates for the solute binding protein PiuA bound to Ga(III) 4-LICAM' 50332 PDB 4JCC 'Crystal structure of a close homolog' 50332 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50332 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32795535 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The pneumococcal iron uptake protein A (PiuA) specifically recognizes tetradentate FeIII bis- and mono-catechol complexes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 432 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5390 _Citation.Page_last 5410 _Citation.Year 2020 _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 Yifan Zhang . . . . 50332 1 2 Katherine Edmonds . A. . . 50332 1 3 Daniel Raines . J. . . 50332 1 4 Brennan Murphy . A. . . 50332 1 5 Hongwei Wu . . . . 50332 1 6 Chuchu Guo . . . . 50332 1 7 Elizabeth Nolan . M. . . 50332 1 8 Michael VanNieuwenhze . S. . . 50332 1 9 Anne Duhme-Klair . K. . . 50332 1 10 David Giedroc . P. . . 50332 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50332 _Assembly.ID 1 _Assembly.Name 'apo PiuA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PiuA 1 $entity_1 . . yes native yes no . . . 50332 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 4JCC . . X-ray 1.133 'close homolog 98.6% identity' 'solved by Center for Structural Genomics of Infectious Diseases (CSGID)' 50332 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'iron uptake' 50332 1 'solute binding for ABC transporter' 50332 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50332 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SHMSAPTEITIKSSLDEVKL SKVPEKIVTFDLGAADTIRA LGFEKNIVGMPTKTVPTYLK DLVGTVKNVGSMKEPDLEAI AALEPDLIIASPRTQKFVDK FKEIAPTVLFQASKDDYWTS TKANIESLASAFGETSTQKA KEELAKLDKSIQEVATKNES SDKKALAILLNEGKMAAFGA KSRFSFLYQTLKFKPTDTKF EDSRHGQEVSFESVKEINPD ILFVINRTLAIGGDNSSNDG VLENALIAETPAAKNGKIIQ LTPDLWYLSGGGLESTKLMI EDIQKALK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first 3 residues of this construct are a cloning artifact. Remaining residues are the soluble, extracellular domain, residues 37-321. ; _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 288 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Substrate binding protein of ABC transporter' 50332 1 'iron uptake' 50332 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 1 SER . 50332 1 2 2 HIS . 50332 1 3 3 MET . 50332 1 4 37 SER . 50332 1 5 38 ALA . 50332 1 6 39 PRO . 50332 1 7 40 THR . 50332 1 8 41 GLU . 50332 1 9 42 ILE . 50332 1 10 43 THR . 50332 1 11 44 ILE . 50332 1 12 45 LYS . 50332 1 13 46 SER . 50332 1 14 47 SER . 50332 1 15 48 LEU . 50332 1 16 49 ASP . 50332 1 17 50 GLU . 50332 1 18 51 VAL . 50332 1 19 52 LYS . 50332 1 20 53 LEU . 50332 1 21 54 SER . 50332 1 22 55 LYS . 50332 1 23 56 VAL . 50332 1 24 57 PRO . 50332 1 25 58 GLU . 50332 1 26 59 LYS . 50332 1 27 60 ILE . 50332 1 28 61 VAL . 50332 1 29 62 THR . 50332 1 30 63 PHE . 50332 1 31 64 ASP . 50332 1 32 65 LEU . 50332 1 33 66 GLY . 50332 1 34 67 ALA . 50332 1 35 68 ALA . 50332 1 36 69 ASP . 50332 1 37 70 THR . 50332 1 38 71 ILE . 50332 1 39 72 ARG . 50332 1 40 73 ALA . 50332 1 41 74 LEU . 50332 1 42 75 GLY . 50332 1 43 76 PHE . 50332 1 44 77 GLU . 50332 1 45 78 LYS . 50332 1 46 79 ASN . 50332 1 47 80 ILE . 50332 1 48 81 VAL . 50332 1 49 82 GLY . 50332 1 50 83 MET . 50332 1 51 84 PRO . 50332 1 52 85 THR . 50332 1 53 86 LYS . 50332 1 54 87 THR . 50332 1 55 88 VAL . 50332 1 56 89 PRO . 50332 1 57 90 THR . 50332 1 58 91 TYR . 50332 1 59 92 LEU . 50332 1 60 93 LYS . 50332 1 61 94 ASP . 50332 1 62 95 LEU . 50332 1 63 96 VAL . 50332 1 64 97 GLY . 50332 1 65 98 THR . 50332 1 66 99 VAL . 50332 1 67 100 LYS . 50332 1 68 101 ASN . 50332 1 69 102 VAL . 50332 1 70 103 GLY . 50332 1 71 104 SER . 50332 1 72 105 MET . 50332 1 73 106 LYS . 50332 1 74 107 GLU . 50332 1 75 108 PRO . 50332 1 76 109 ASP . 50332 1 77 110 LEU . 50332 1 78 111 GLU . 50332 1 79 112 ALA . 50332 1 80 113 ILE . 50332 1 81 114 ALA . 50332 1 82 115 ALA . 50332 1 83 116 LEU . 50332 1 84 117 GLU . 50332 1 85 118 PRO . 50332 1 86 119 ASP . 50332 1 87 120 LEU . 50332 1 88 121 ILE . 50332 1 89 122 ILE . 50332 1 90 123 ALA . 50332 1 91 124 SER . 50332 1 92 125 PRO . 50332 1 93 126 ARG . 50332 1 94 127 THR . 50332 1 95 128 GLN . 50332 1 96 129 LYS . 50332 1 97 130 PHE . 50332 1 98 131 VAL . 50332 1 99 132 ASP . 50332 1 100 133 LYS . 50332 1 101 134 PHE . 50332 1 102 135 LYS . 50332 1 103 136 GLU . 50332 1 104 137 ILE . 50332 1 105 138 ALA . 50332 1 106 139 PRO . 50332 1 107 140 THR . 50332 1 108 141 VAL . 50332 1 109 142 LEU . 50332 1 110 143 PHE . 50332 1 111 144 GLN . 50332 1 112 145 ALA . 50332 1 113 146 SER . 50332 1 114 147 LYS . 50332 1 115 148 ASP . 50332 1 116 149 ASP . 50332 1 117 150 TYR . 50332 1 118 151 TRP . 50332 1 119 152 THR . 50332 1 120 153 SER . 50332 1 121 154 THR . 50332 1 122 155 LYS . 50332 1 123 156 ALA . 50332 1 124 157 ASN . 50332 1 125 158 ILE . 50332 1 126 159 GLU . 50332 1 127 160 SER . 50332 1 128 161 LEU . 50332 1 129 162 ALA . 50332 1 130 163 SER . 50332 1 131 164 ALA . 50332 1 132 165 PHE . 50332 1 133 166 GLY . 50332 1 134 167 GLU . 50332 1 135 168 THR . 50332 1 136 169 SER . 50332 1 137 170 THR . 50332 1 138 171 GLN . 50332 1 139 172 LYS . 50332 1 140 173 ALA . 50332 1 141 174 LYS . 50332 1 142 175 GLU . 50332 1 143 176 GLU . 50332 1 144 177 LEU . 50332 1 145 178 ALA . 50332 1 146 179 LYS . 50332 1 147 180 LEU . 50332 1 148 181 ASP . 50332 1 149 182 LYS . 50332 1 150 183 SER . 50332 1 151 184 ILE . 50332 1 152 185 GLN . 50332 1 153 186 GLU . 50332 1 154 187 VAL . 50332 1 155 188 ALA . 50332 1 156 189 THR . 50332 1 157 190 LYS . 50332 1 158 191 ASN . 50332 1 159 192 GLU . 50332 1 160 193 SER . 50332 1 161 194 SER . 50332 1 162 195 ASP . 50332 1 163 196 LYS . 50332 1 164 197 LYS . 50332 1 165 198 ALA . 50332 1 166 199 LEU . 50332 1 167 200 ALA . 50332 1 168 201 ILE . 50332 1 169 202 LEU . 50332 1 170 203 LEU . 50332 1 171 204 ASN . 50332 1 172 205 GLU . 50332 1 173 206 GLY . 50332 1 174 207 LYS . 50332 1 175 208 MET . 50332 1 176 209 ALA . 50332 1 177 210 ALA . 50332 1 178 211 PHE . 50332 1 179 212 GLY . 50332 1 180 213 ALA . 50332 1 181 214 LYS . 50332 1 182 215 SER . 50332 1 183 216 ARG . 50332 1 184 217 PHE . 50332 1 185 218 SER . 50332 1 186 219 PHE . 50332 1 187 220 LEU . 50332 1 188 221 TYR . 50332 1 189 222 GLN . 50332 1 190 223 THR . 50332 1 191 224 LEU . 50332 1 192 225 LYS . 50332 1 193 226 PHE . 50332 1 194 227 LYS . 50332 1 195 228 PRO . 50332 1 196 229 THR . 50332 1 197 230 ASP . 50332 1 198 231 THR . 50332 1 199 232 LYS . 50332 1 200 233 PHE . 50332 1 201 234 GLU . 50332 1 202 235 ASP . 50332 1 203 236 SER . 50332 1 204 237 ARG . 50332 1 205 238 HIS . 50332 1 206 239 GLY . 50332 1 207 240 GLN . 50332 1 208 241 GLU . 50332 1 209 242 VAL . 50332 1 210 243 SER . 50332 1 211 244 PHE . 50332 1 212 245 GLU . 50332 1 213 246 SER . 50332 1 214 247 VAL . 50332 1 215 248 LYS . 50332 1 216 249 GLU . 50332 1 217 250 ILE . 50332 1 218 251 ASN . 50332 1 219 252 PRO . 50332 1 220 253 ASP . 50332 1 221 254 ILE . 50332 1 222 255 LEU . 50332 1 223 256 PHE . 50332 1 224 257 VAL . 50332 1 225 258 ILE . 50332 1 226 259 ASN . 50332 1 227 260 ARG . 50332 1 228 261 THR . 50332 1 229 262 LEU . 50332 1 230 263 ALA . 50332 1 231 264 ILE . 50332 1 232 265 GLY . 50332 1 233 266 GLY . 50332 1 234 267 ASP . 50332 1 235 268 ASN . 50332 1 236 269 SER . 50332 1 237 270 SER . 50332 1 238 271 ASN . 50332 1 239 272 ASP . 50332 1 240 273 GLY . 50332 1 241 274 VAL . 50332 1 242 275 LEU . 50332 1 243 276 GLU . 50332 1 244 277 ASN . 50332 1 245 278 ALA . 50332 1 246 279 LEU . 50332 1 247 280 ILE . 50332 1 248 281 ALA . 50332 1 249 282 GLU . 50332 1 250 283 THR . 50332 1 251 284 PRO . 50332 1 252 285 ALA . 50332 1 253 286 ALA . 50332 1 254 287 LYS . 50332 1 255 288 ASN . 50332 1 256 289 GLY . 50332 1 257 290 LYS . 50332 1 258 291 ILE . 50332 1 259 292 ILE . 50332 1 260 293 GLN . 50332 1 261 294 LEU . 50332 1 262 295 THR . 50332 1 263 296 PRO . 50332 1 264 297 ASP . 50332 1 265 298 LEU . 50332 1 266 299 TRP . 50332 1 267 300 TYR . 50332 1 268 301 LEU . 50332 1 269 302 SER . 50332 1 270 303 GLY . 50332 1 271 304 GLY . 50332 1 272 305 GLY . 50332 1 273 306 LEU . 50332 1 274 307 GLU . 50332 1 275 308 SER . 50332 1 276 309 THR . 50332 1 277 310 LYS . 50332 1 278 311 LEU . 50332 1 279 312 MET . 50332 1 280 313 ILE . 50332 1 281 314 GLU . 50332 1 282 315 ASP . 50332 1 283 316 ILE . 50332 1 284 317 GLN . 50332 1 285 318 LYS . 50332 1 286 319 ALA . 50332 1 287 320 LEU . 50332 1 288 321 LYS . 50332 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 . SER 1 1 50332 1 . HIS 2 2 50332 1 . MET 3 3 50332 1 . SER 4 4 50332 1 . ALA 5 5 50332 1 . PRO 6 6 50332 1 . THR 7 7 50332 1 . GLU 8 8 50332 1 . ILE 9 9 50332 1 . THR 10 10 50332 1 . ILE 11 11 50332 1 . LYS 12 12 50332 1 . SER 13 13 50332 1 . SER 14 14 50332 1 . LEU 15 15 50332 1 . ASP 16 16 50332 1 . GLU 17 17 50332 1 . VAL 18 18 50332 1 . LYS 19 19 50332 1 . LEU 20 20 50332 1 . SER 21 21 50332 1 . LYS 22 22 50332 1 . VAL 23 23 50332 1 . PRO 24 24 50332 1 . GLU 25 25 50332 1 . LYS 26 26 50332 1 . ILE 27 27 50332 1 . VAL 28 28 50332 1 . THR 29 29 50332 1 . PHE 30 30 50332 1 . ASP 31 31 50332 1 . LEU 32 32 50332 1 . GLY 33 33 50332 1 . ALA 34 34 50332 1 . ALA 35 35 50332 1 . ASP 36 36 50332 1 . THR 37 37 50332 1 . ILE 38 38 50332 1 . ARG 39 39 50332 1 . ALA 40 40 50332 1 . LEU 41 41 50332 1 . GLY 42 42 50332 1 . PHE 43 43 50332 1 . GLU 44 44 50332 1 . LYS 45 45 50332 1 . ASN 46 46 50332 1 . ILE 47 47 50332 1 . VAL 48 48 50332 1 . GLY 49 49 50332 1 . MET 50 50 50332 1 . PRO 51 51 50332 1 . THR 52 52 50332 1 . LYS 53 53 50332 1 . THR 54 54 50332 1 . VAL 55 55 50332 1 . PRO 56 56 50332 1 . THR 57 57 50332 1 . TYR 58 58 50332 1 . LEU 59 59 50332 1 . LYS 60 60 50332 1 . ASP 61 61 50332 1 . LEU 62 62 50332 1 . VAL 63 63 50332 1 . GLY 64 64 50332 1 . THR 65 65 50332 1 . VAL 66 66 50332 1 . LYS 67 67 50332 1 . ASN 68 68 50332 1 . VAL 69 69 50332 1 . GLY 70 70 50332 1 . SER 71 71 50332 1 . MET 72 72 50332 1 . LYS 73 73 50332 1 . GLU 74 74 50332 1 . PRO 75 75 50332 1 . ASP 76 76 50332 1 . LEU 77 77 50332 1 . GLU 78 78 50332 1 . ALA 79 79 50332 1 . ILE 80 80 50332 1 . ALA 81 81 50332 1 . ALA 82 82 50332 1 . LEU 83 83 50332 1 . GLU 84 84 50332 1 . PRO 85 85 50332 1 . ASP 86 86 50332 1 . LEU 87 87 50332 1 . ILE 88 88 50332 1 . ILE 89 89 50332 1 . ALA 90 90 50332 1 . SER 91 91 50332 1 . PRO 92 92 50332 1 . ARG 93 93 50332 1 . THR 94 94 50332 1 . GLN 95 95 50332 1 . LYS 96 96 50332 1 . PHE 97 97 50332 1 . VAL 98 98 50332 1 . ASP 99 99 50332 1 . LYS 100 100 50332 1 . PHE 101 101 50332 1 . LYS 102 102 50332 1 . GLU 103 103 50332 1 . ILE 104 104 50332 1 . ALA 105 105 50332 1 . PRO 106 106 50332 1 . THR 107 107 50332 1 . VAL 108 108 50332 1 . LEU 109 109 50332 1 . PHE 110 110 50332 1 . GLN 111 111 50332 1 . ALA 112 112 50332 1 . SER 113 113 50332 1 . LYS 114 114 50332 1 . ASP 115 115 50332 1 . ASP 116 116 50332 1 . TYR 117 117 50332 1 . TRP 118 118 50332 1 . THR 119 119 50332 1 . SER 120 120 50332 1 . THR 121 121 50332 1 . LYS 122 122 50332 1 . ALA 123 123 50332 1 . ASN 124 124 50332 1 . ILE 125 125 50332 1 . GLU 126 126 50332 1 . SER 127 127 50332 1 . LEU 128 128 50332 1 . ALA 129 129 50332 1 . SER 130 130 50332 1 . ALA 131 131 50332 1 . PHE 132 132 50332 1 . GLY 133 133 50332 1 . GLU 134 134 50332 1 . THR 135 135 50332 1 . SER 136 136 50332 1 . THR 137 137 50332 1 . GLN 138 138 50332 1 . LYS 139 139 50332 1 . ALA 140 140 50332 1 . LYS 141 141 50332 1 . GLU 142 142 50332 1 . GLU 143 143 50332 1 . LEU 144 144 50332 1 . ALA 145 145 50332 1 . LYS 146 146 50332 1 . LEU 147 147 50332 1 . ASP 148 148 50332 1 . LYS 149 149 50332 1 . SER 150 150 50332 1 . ILE 151 151 50332 1 . GLN 152 152 50332 1 . GLU 153 153 50332 1 . VAL 154 154 50332 1 . ALA 155 155 50332 1 . THR 156 156 50332 1 . LYS 157 157 50332 1 . ASN 158 158 50332 1 . GLU 159 159 50332 1 . SER 160 160 50332 1 . SER 161 161 50332 1 . ASP 162 162 50332 1 . LYS 163 163 50332 1 . LYS 164 164 50332 1 . ALA 165 165 50332 1 . LEU 166 166 50332 1 . ALA 167 167 50332 1 . ILE 168 168 50332 1 . LEU 169 169 50332 1 . LEU 170 170 50332 1 . ASN 171 171 50332 1 . GLU 172 172 50332 1 . GLY 173 173 50332 1 . LYS 174 174 50332 1 . MET 175 175 50332 1 . ALA 176 176 50332 1 . ALA 177 177 50332 1 . PHE 178 178 50332 1 . GLY 179 179 50332 1 . ALA 180 180 50332 1 . LYS 181 181 50332 1 . SER 182 182 50332 1 . ARG 183 183 50332 1 . PHE 184 184 50332 1 . SER 185 185 50332 1 . PHE 186 186 50332 1 . LEU 187 187 50332 1 . TYR 188 188 50332 1 . GLN 189 189 50332 1 . THR 190 190 50332 1 . LEU 191 191 50332 1 . LYS 192 192 50332 1 . PHE 193 193 50332 1 . LYS 194 194 50332 1 . PRO 195 195 50332 1 . THR 196 196 50332 1 . ASP 197 197 50332 1 . THR 198 198 50332 1 . LYS 199 199 50332 1 . PHE 200 200 50332 1 . GLU 201 201 50332 1 . ASP 202 202 50332 1 . SER 203 203 50332 1 . ARG 204 204 50332 1 . HIS 205 205 50332 1 . GLY 206 206 50332 1 . GLN 207 207 50332 1 . GLU 208 208 50332 1 . VAL 209 209 50332 1 . SER 210 210 50332 1 . PHE 211 211 50332 1 . GLU 212 212 50332 1 . SER 213 213 50332 1 . VAL 214 214 50332 1 . LYS 215 215 50332 1 . GLU 216 216 50332 1 . ILE 217 217 50332 1 . ASN 218 218 50332 1 . PRO 219 219 50332 1 . ASP 220 220 50332 1 . ILE 221 221 50332 1 . LEU 222 222 50332 1 . PHE 223 223 50332 1 . VAL 224 224 50332 1 . ILE 225 225 50332 1 . ASN 226 226 50332 1 . ARG 227 227 50332 1 . THR 228 228 50332 1 . LEU 229 229 50332 1 . ALA 230 230 50332 1 . ILE 231 231 50332 1 . GLY 232 232 50332 1 . GLY 233 233 50332 1 . ASP 234 234 50332 1 . ASN 235 235 50332 1 . SER 236 236 50332 1 . SER 237 237 50332 1 . ASN 238 238 50332 1 . ASP 239 239 50332 1 . GLY 240 240 50332 1 . VAL 241 241 50332 1 . LEU 242 242 50332 1 . GLU 243 243 50332 1 . ASN 244 244 50332 1 . ALA 245 245 50332 1 . LEU 246 246 50332 1 . ILE 247 247 50332 1 . ALA 248 248 50332 1 . GLU 249 249 50332 1 . THR 250 250 50332 1 . PRO 251 251 50332 1 . ALA 252 252 50332 1 . ALA 253 253 50332 1 . LYS 254 254 50332 1 . ASN 255 255 50332 1 . GLY 256 256 50332 1 . LYS 257 257 50332 1 . ILE 258 258 50332 1 . ILE 259 259 50332 1 . GLN 260 260 50332 1 . LEU 261 261 50332 1 . THR 262 262 50332 1 . PRO 263 263 50332 1 . ASP 264 264 50332 1 . LEU 265 265 50332 1 . TRP 266 266 50332 1 . TYR 267 267 50332 1 . LEU 268 268 50332 1 . SER 269 269 50332 1 . GLY 270 270 50332 1 . GLY 271 271 50332 1 . GLY 272 272 50332 1 . LEU 273 273 50332 1 . GLU 274 274 50332 1 . SER 275 275 50332 1 . THR 276 276 50332 1 . LYS 277 277 50332 1 . LEU 278 278 50332 1 . MET 279 279 50332 1 . ILE 280 280 50332 1 . GLU 281 281 50332 1 . ASP 282 282 50332 1 . ILE 283 283 50332 1 . GLN 284 284 50332 1 . LYS 285 285 50332 1 . ALA 286 286 50332 1 . LEU 287 287 50332 1 . LYS 288 288 50332 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50332 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae D39 . . . . . . . . . . spd_1652 . 50332 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50332 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pSUMO . . . 50332 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50332 _Sample.ID 1 _Sample.Name '15N apo PiuA' _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 PiuA [U-15N] . . 1 $entity_1 . . 0.9 . . mM . . . . 50332 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 50332 1 3 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 50332 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50332 1 5 MES 'natural abundance' . . . . . . 25 . . mM . . . . 50332 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 50332 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'PiuA conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 50332 1 pressure 1 . atm 50332 1 temperature 273 . K 50332 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50332 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50332 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50332 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50332 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50332 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50332 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50332 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name b600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50332 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50332 1 2 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50332 1 3 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50332 1 4 'backbone relaxation dispersion' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50332 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 50332 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'apo PiuA hNOE' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H-15N heteronoe' . . . 50332 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 50332 1 2 $software_2 . . 50332 1 3 $software_3 . . 50332 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 -2.771731 -0.041591 . . . 38 ALA N . 38 ALA H 50332 1 2 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 -0.193844 -0.004638 . . . 40 THR N . 40 THR H 50332 1 3 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.091330 0.003439 . . . 41 GLU N . 41 GLU H 50332 1 4 . 1 1 9 9 ILE N N 15 . 1 1 9 9 ILE H H 1 0.439431 0.00722 . . . 42 ILE N . 42 ILE H 50332 1 5 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.662659 0.007117 . . . 43 THR N . 43 THR H 50332 1 6 . 1 1 11 11 ILE N N 15 . 1 1 11 11 ILE H H 1 0.708055 0.010378 . . . 44 ILE N . 44 ILE H 50332 1 7 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.843805 0.013243 . . . 45 LYS N . 45 LYS H 50332 1 8 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.842842 0.009592 . . . 46 SER N . 46 SER H 50332 1 9 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.860913 0.012155 . . . 48 LEU N . 48 LEU H 50332 1 10 . 1 1 16 16 ASP N N 15 . 1 1 16 16 ASP H H 1 0.763869 0.007876 . . . 49 ASP N . 49 ASP H 50332 1 11 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.862907 0.009985 . . . 50 GLU N . 50 GLU H 50332 1 12 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 0.776783 0.011768 . . . 51 VAL N . 51 VAL H 50332 1 13 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.818207 0.009919 . . . 52 LYS N . 52 LYS H 50332 1 14 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.741840 0.00897 . . . 53 LEU N . 53 LEU H 50332 1 15 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.749646 0.014384 . . . 54 SER N . 54 SER H 50332 1 16 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.679448 0.005575 . . . 55 LYS N . 55 LYS H 50332 1 17 . 1 1 23 23 VAL N N 15 . 1 1 23 23 VAL H H 1 0.655068 0.006627 . . . 56 VAL N . 56 VAL H 50332 1 18 . 1 1 25 25 GLU N N 15 . 1 1 25 25 GLU H H 1 0.757680 0.014571 . . . 58 GLU N . 58 GLU H 50332 1 19 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 0.896528 0.013936 . . . 59 LYS N . 59 LYS H 50332 1 20 . 1 1 27 27 ILE N N 15 . 1 1 27 27 ILE H H 1 0.861481 0.011952 . . . 60 ILE N . 60 ILE H 50332 1 21 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.795524 0.011329 . . . 61 VAL N . 61 VAL H 50332 1 22 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.825660 0.018837 . . . 63 PHE N . 63 PHE H 50332 1 23 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.835599 0.017417 . . . 65 LEU N . 65 LEU H 50332 1 24 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.801648 0.00939 . . . 66 GLY N . 66 GLY H 50332 1 25 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.824841 0.009867 . . . 67 ALA N . 67 ALA H 50332 1 26 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.827616 0.007488 . . . 68 ALA N . 68 ALA H 50332 1 27 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.859951 0.009793 . . . 69 ASP N . 69 ASP H 50332 1 28 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.911930 0.009234 . . . 70 THR N . 70 THR H 50332 1 29 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.816190 0.009483 . . . 72 ARG N . 72 ARG H 50332 1 30 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.852431 0.00839 . . . 73 ALA N . 73 ALA H 50332 1 31 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.824085 0.010757 . . . 74 LEU N . 74 LEU H 50332 1 32 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 0.864620 0.010494 . . . 75 GLY N . 75 GLY H 50332 1 33 . 1 1 43 43 PHE N N 15 . 1 1 43 43 PHE H H 1 0.866904 0.010858 . . . 76 PHE N . 76 PHE H 50332 1 34 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.869982 0.008499 . . . 77 GLU N . 77 GLU H 50332 1 35 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.849979 0.008678 . . . 78 LYS N . 78 LYS H 50332 1 36 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.846974 0.008266 . . . 80 ILE N . 80 ILE H 50332 1 37 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.865202 0.014309 . . . 81 VAL N . 81 VAL H 50332 1 38 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.909128 0.010225 . . . 82 GLY N . 82 GLY H 50332 1 39 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.873908 0.012025 . . . 83 MET N . 83 MET H 50332 1 40 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 0.757010 0.011266 . . . 85 THR N . 85 THR H 50332 1 41 . 1 1 53 53 LYS N N 15 . 1 1 53 53 LYS H H 1 0.744338 0.011428 . . . 86 LYS N . 86 LYS H 50332 1 42 . 1 1 54 54 THR N N 15 . 1 1 54 54 THR H H 1 0.748225 0.013227 . . . 87 THR N . 87 THR H 50332 1 43 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.567633 0.01033 . . . 88 VAL N . 88 VAL H 50332 1 44 . 1 1 57 57 THR N N 15 . 1 1 57 57 THR H H 1 0.838384 0.009761 . . . 90 THR N . 90 THR H 50332 1 45 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.820945 0.013105 . . . 91 TYR N . 91 TYR H 50332 1 46 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.858252 0.011795 . . . 92 LEU N . 92 LEU H 50332 1 47 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.755304 0.008521 . . . 95 LEU N . 95 LEU H 50332 1 48 . 1 1 63 63 VAL N N 15 . 1 1 63 63 VAL H H 1 0.777646 0.008301 . . . 96 VAL N . 96 VAL H 50332 1 49 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.795381 0.007716 . . . 97 GLY N . 97 GLY H 50332 1 50 . 1 1 65 65 THR N N 15 . 1 1 65 65 THR H H 1 0.657755 0.007828 . . . 98 THR N . 98 THR H 50332 1 51 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.642829 0.007851 . . . 99 VAL N . 99 VAL H 50332 1 52 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.766582 0.013671 . . . 100 LYS N . 100 LYS H 50332 1 53 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.771244 0.0102 . . . 101 ASN N . 101 ASN H 50332 1 54 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.733257 0.014062 . . . 102 VAL N . 102 VAL H 50332 1 55 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.842483 0.008024 . . . 103 GLY N . 103 GLY H 50332 1 56 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.780255 0.008976 . . . 104 SER N . 104 SER H 50332 1 57 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.787844 0.016954 . . . 105 MET N . 105 MET H 50332 1 58 . 1 1 73 73 LYS N N 15 . 1 1 73 73 LYS H H 1 0.751691 0.011246 . . . 106 LYS N . 106 LYS H 50332 1 59 . 1 1 74 74 GLU N N 15 . 1 1 74 74 GLU H H 1 0.786151 0.009988 . . . 107 GLU N . 107 GLU H 50332 1 60 . 1 1 76 76 ASP N N 15 . 1 1 76 76 ASP H H 1 0.826748 0.01368 . . . 109 ASP N . 109 ASP H 50332 1 61 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.847922 0.010838 . . . 110 LEU N . 110 LEU H 50332 1 62 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.879346 0.00865 . . . 112 ALA N . 112 ALA H 50332 1 63 . 1 1 80 80 ILE N N 15 . 1 1 80 80 ILE H H 1 0.789820 0.009721 . . . 113 ILE N . 113 ILE H 50332 1 64 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.848481 0.009883 . . . 116 LEU N . 116 LEU H 50332 1 65 . 1 1 84 84 GLU N N 15 . 1 1 84 84 GLU H H 1 0.834180 0.010414 . . . 117 GLU N . 117 GLU H 50332 1 66 . 1 1 86 86 ASP N N 15 . 1 1 86 86 ASP H H 1 0.882620 0.01527 . . . 119 ASP N . 119 ASP H 50332 1 67 . 1 1 87 87 LEU N N 15 . 1 1 87 87 LEU H H 1 0.875380 0.009169 . . . 120 LEU N . 120 LEU H 50332 1 68 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.895014 0.010758 . . . 121 ILE N . 121 ILE H 50332 1 69 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.825666 0.012229 . . . 122 ILE N . 122 ILE H 50332 1 70 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 0.859510 0.012265 . . . 123 ALA N . 123 ALA H 50332 1 71 . 1 1 91 91 SER N N 15 . 1 1 91 91 SER H H 1 0.805818 0.012514 . . . 124 SER N . 124 SER H 50332 1 72 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.805885 0.037909 . . . 126 ARG N . 126 ARG H 50332 1 73 . 1 1 94 94 THR N N 15 . 1 1 94 94 THR H H 1 0.790319 0.012185 . . . 127 THR N . 127 THR H 50332 1 74 . 1 1 95 95 GLN N N 15 . 1 1 95 95 GLN H H 1 0.835376 0.009378 . . . 128 GLN N . 128 GLN H 50332 1 75 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 0.864429 0.019713 . . . 129 LYS N . 129 LYS H 50332 1 76 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.827522 0.01268 . . . 130 PHE N . 130 PHE H 50332 1 77 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.852690 0.00995 . . . 131 VAL N . 131 VAL H 50332 1 78 . 1 1 99 99 ASP N N 15 . 1 1 99 99 ASP H H 1 0.811121 0.00828 . . . 132 ASP N . 132 ASP H 50332 1 79 . 1 1 100 100 LYS N N 15 . 1 1 100 100 LYS H H 1 0.805297 0.010616 . . . 133 LYS N . 133 LYS H 50332 1 80 . 1 1 101 101 PHE N N 15 . 1 1 101 101 PHE H H 1 0.795830 0.011019 . . . 134 PHE N . 134 PHE H 50332 1 81 . 1 1 102 102 LYS N N 15 . 1 1 102 102 LYS H H 1 0.810591 0.012093 . . . 135 LYS N . 135 LYS H 50332 1 82 . 1 1 103 103 GLU N N 15 . 1 1 103 103 GLU H H 1 0.769909 0.008819 . . . 136 GLU N . 136 GLU H 50332 1 83 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.787003 0.007461 . . . 138 ALA N . 138 ALA H 50332 1 84 . 1 1 107 107 THR N N 15 . 1 1 107 107 THR H H 1 0.810978 0.012071 . . . 140 THR N . 140 THR H 50332 1 85 . 1 1 108 108 VAL N N 15 . 1 1 108 108 VAL H H 1 0.795399 0.01145 . . . 141 VAL N . 141 VAL H 50332 1 86 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.877216 0.016716 . . . 142 LEU N . 142 LEU H 50332 1 87 . 1 1 110 110 PHE N N 15 . 1 1 110 110 PHE H H 1 0.802972 0.018709 . . . 143 PHE N . 143 PHE H 50332 1 88 . 1 1 111 111 GLN N N 15 . 1 1 111 111 GLN H H 1 0.750643 0.01091 . . . 144 GLN N . 144 GLN H 50332 1 89 . 1 1 112 112 ALA N N 15 . 1 1 112 112 ALA H H 1 0.664273 0.014752 . . . 145 ALA N . 145 ALA H 50332 1 90 . 1 1 113 113 SER N N 15 . 1 1 113 113 SER H H 1 0.747996 0.011983 . . . 146 SER N . 146 SER H 50332 1 91 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.660044 0.028134 . . . 147 LYS N . 147 LYS H 50332 1 92 . 1 1 116 116 ASP N N 15 . 1 1 116 116 ASP H H 1 0.667185 0.006753 . . . 149 ASP N . 149 ASP H 50332 1 93 . 1 1 117 117 TYR N N 15 . 1 1 117 117 TYR H H 1 0.842165 0.011825 . . . 150 TYR N . 150 TYR H 50332 1 94 . 1 1 118 118 TRP N N 15 . 1 1 118 118 TRP H H 1 0.891205 0.015946 . . . 151 TRP N . 151 TRP H 50332 1 95 . 1 1 119 119 THR N N 15 . 1 1 119 119 THR H H 1 0.888621 0.008585 . . . 152 THR N . 152 THR H 50332 1 96 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.953339 0.012526 . . . 153 SER N . 153 SER H 50332 1 97 . 1 1 121 121 THR N N 15 . 1 1 121 121 THR H H 1 0.873186 0.011677 . . . 154 THR N . 154 THR H 50332 1 98 . 1 1 122 122 LYS N N 15 . 1 1 122 122 LYS H H 1 0.860243 0.010461 . . . 155 LYS N . 155 LYS H 50332 1 99 . 1 1 123 123 ALA N N 15 . 1 1 123 123 ALA H H 1 0.886934 0.008219 . . . 156 ALA N . 156 ALA H 50332 1 100 . 1 1 124 124 ASN N N 15 . 1 1 124 124 ASN H H 1 0.839693 0.008416 . . . 157 ASN N . 157 ASN H 50332 1 101 . 1 1 125 125 ILE N N 15 . 1 1 125 125 ILE H H 1 0.890677 0.009327 . . . 158 ILE N . 158 ILE H 50332 1 102 . 1 1 126 126 GLU N N 15 . 1 1 126 126 GLU H H 1 0.843841 0.009651 . . . 159 GLU N . 159 GLU H 50332 1 103 . 1 1 127 127 SER N N 15 . 1 1 127 127 SER H H 1 0.859850 0.00815 . . . 160 SER N . 160 SER H 50332 1 104 . 1 1 130 130 SER N N 15 . 1 1 130 130 SER H H 1 0.833759 0.010605 . . . 163 SER N . 163 SER H 50332 1 105 . 1 1 131 131 ALA N N 15 . 1 1 131 131 ALA H H 1 0.822582 0.00832 . . . 164 ALA N . 164 ALA H 50332 1 106 . 1 1 132 132 PHE N N 15 . 1 1 132 132 PHE H H 1 0.819370 0.010191 . . . 165 PHE N . 165 PHE H 50332 1 107 . 1 1 133 133 GLY N N 15 . 1 1 133 133 GLY H H 1 0.833347 0.007043 . . . 166 GLY N . 166 GLY H 50332 1 108 . 1 1 134 134 GLU N N 15 . 1 1 134 134 GLU H H 1 0.840510 0.01186 . . . 167 GLU N . 167 GLU H 50332 1 109 . 1 1 135 135 THR N N 15 . 1 1 135 135 THR H H 1 0.926444 0.029765 . . . 168 THR N . 168 THR H 50332 1 110 . 1 1 137 137 THR N N 15 . 1 1 137 137 THR H H 1 0.834608 0.006868 . . . 170 THR N . 170 THR H 50332 1 111 . 1 1 138 138 GLN N N 15 . 1 1 138 138 GLN H H 1 0.823987 0.007977 . . . 171 GLN N . 171 GLN H 50332 1 112 . 1 1 139 139 LYS N N 15 . 1 1 139 139 LYS H H 1 0.839013 0.008984 . . . 172 LYS N . 172 LYS H 50332 1 113 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.842339 0.007668 . . . 173 ALA N . 173 ALA H 50332 1 114 . 1 1 142 142 GLU N N 15 . 1 1 142 142 GLU H H 1 0.828773 0.007469 . . . 175 GLU N . 175 GLU H 50332 1 115 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.822586 0.011828 . . . 176 GLU N . 176 GLU H 50332 1 116 . 1 1 144 144 LEU N N 15 . 1 1 144 144 LEU H H 1 0.764486 0.009779 . . . 177 LEU N . 177 LEU H 50332 1 117 . 1 1 145 145 ALA N N 15 . 1 1 145 145 ALA H H 1 0.834707 0.008909 . . . 178 ALA N . 178 ALA H 50332 1 118 . 1 1 146 146 LYS N N 15 . 1 1 146 146 LYS H H 1 0.847014 0.010175 . . . 179 LYS N . 179 LYS H 50332 1 119 . 1 1 147 147 LEU N N 15 . 1 1 147 147 LEU H H 1 0.823282 0.013102 . . . 180 LEU N . 180 LEU H 50332 1 120 . 1 1 148 148 ASP N N 15 . 1 1 148 148 ASP H H 1 0.863128 0.0091 . . . 181 ASP N . 181 ASP H 50332 1 121 . 1 1 149 149 LYS N N 15 . 1 1 149 149 LYS H H 1 0.864353 0.010308 . . . 182 LYS N . 182 LYS H 50332 1 122 . 1 1 150 150 SER N N 15 . 1 1 150 150 SER H H 1 0.824522 0.008707 . . . 183 SER N . 183 SER H 50332 1 123 . 1 1 152 152 GLN N N 15 . 1 1 152 152 GLN H H 1 0.837772 0.00966 . . . 185 GLN N . 185 GLN H 50332 1 124 . 1 1 153 153 GLU N N 15 . 1 1 153 153 GLU H H 1 0.858309 0.009948 . . . 186 GLU N . 186 GLU H 50332 1 125 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.824385 0.008597 . . . 188 ALA N . 188 ALA H 50332 1 126 . 1 1 156 156 THR N N 15 . 1 1 156 156 THR H H 1 0.789019 0.008116 . . . 189 THR N . 189 THR H 50332 1 127 . 1 1 157 157 LYS N N 15 . 1 1 157 157 LYS H H 1 0.802599 0.008878 . . . 190 LYS N . 190 LYS H 50332 1 128 . 1 1 159 159 GLU N N 15 . 1 1 159 159 GLU H H 1 0.805505 0.007083 . . . 192 GLU N . 192 GLU H 50332 1 129 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 0.619037 0.009041 . . . 193 SER N . 193 SER H 50332 1 130 . 1 1 161 161 SER N N 15 . 1 1 161 161 SER H H 1 0.675745 0.006725 . . . 194 SER N . 194 SER H 50332 1 131 . 1 1 162 162 ASP N N 15 . 1 1 162 162 ASP H H 1 0.768923 0.029177 . . . 195 ASP N . 195 ASP H 50332 1 132 . 1 1 164 164 LYS N N 15 . 1 1 164 164 LYS H H 1 0.771863 0.014034 . . . 197 LYS N . 197 LYS H 50332 1 133 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.857804 0.012918 . . . 198 ALA N . 198 ALA H 50332 1 134 . 1 1 166 166 LEU N N 15 . 1 1 166 166 LEU H H 1 0.778297 0.014068 . . . 199 LEU N . 199 LEU H 50332 1 135 . 1 1 167 167 ALA N N 15 . 1 1 167 167 ALA H H 1 0.808077 0.014865 . . . 200 ALA N . 200 ALA H 50332 1 136 . 1 1 168 168 ILE N N 15 . 1 1 168 168 ILE H H 1 0.916089 0.012319 . . . 201 ILE N . 201 ILE H 50332 1 137 . 1 1 169 169 LEU N N 15 . 1 1 169 169 LEU H H 1 0.792861 0.014559 . . . 202 LEU N . 202 LEU H 50332 1 138 . 1 1 170 170 LEU N N 15 . 1 1 170 170 LEU H H 1 0.818640 0.01474 . . . 203 LEU N . 203 LEU H 50332 1 139 . 1 1 171 171 ASN N N 15 . 1 1 171 171 ASN H H 1 0.816462 0.009611 . . . 204 ASN N . 204 ASN H 50332 1 140 . 1 1 173 173 GLY N N 15 . 1 1 173 173 GLY H H 1 0.818223 0.009782 . . . 206 GLY N . 206 GLY H 50332 1 141 . 1 1 174 174 LYS N N 15 . 1 1 174 174 LYS H H 1 0.775818 0.009489 . . . 207 LYS N . 207 LYS H 50332 1 142 . 1 1 175 175 MET N N 15 . 1 1 175 175 MET H H 1 0.817699 0.012628 . . . 208 MET N . 208 MET H 50332 1 143 . 1 1 176 176 ALA N N 15 . 1 1 176 176 ALA H H 1 0.841661 0.013204 . . . 209 ALA N . 209 ALA H 50332 1 144 . 1 1 177 177 ALA N N 15 . 1 1 177 177 ALA H H 1 0.807568 0.011621 . . . 210 ALA N . 210 ALA H 50332 1 145 . 1 1 179 179 GLY N N 15 . 1 1 179 179 GLY H H 1 0.813375 0.011058 . . . 212 GLY N . 212 GLY H 50332 1 146 . 1 1 180 180 ALA N N 15 . 1 1 180 180 ALA H H 1 0.812398 0.012427 . . . 213 ALA N . 213 ALA H 50332 1 147 . 1 1 181 181 LYS N N 15 . 1 1 181 181 LYS H H 1 0.736471 0.012288 . . . 214 LYS N . 214 LYS H 50332 1 148 . 1 1 185 185 SER N N 15 . 1 1 185 185 SER H H 1 0.886478 0.009269 . . . 218 SER N . 218 SER H 50332 1 149 . 1 1 186 186 PHE N N 15 . 1 1 186 186 PHE H H 1 0.910763 0.019779 . . . 219 PHE N . 219 PHE H 50332 1 150 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.812516 0.015192 . . . 220 LEU N . 220 LEU H 50332 1 151 . 1 1 188 188 TYR N N 15 . 1 1 188 188 TYR H H 1 0.840320 0.015154 . . . 221 TYR N . 221 TYR H 50332 1 152 . 1 1 189 189 GLN N N 15 . 1 1 189 189 GLN H H 1 0.754507 0.013161 . . . 222 GLN N . 222 GLN H 50332 1 153 . 1 1 190 190 THR N N 15 . 1 1 190 190 THR H H 1 0.789333 0.011021 . . . 223 THR N . 223 THR H 50332 1 154 . 1 1 191 191 LEU N N 15 . 1 1 191 191 LEU H H 1 0.926650 0.016616 . . . 224 LEU N . 224 LEU H 50332 1 155 . 1 1 192 192 LYS N N 15 . 1 1 192 192 LYS H H 1 0.895889 0.014952 . . . 225 LYS N . 225 LYS H 50332 1 156 . 1 1 194 194 LYS N N 15 . 1 1 194 194 LYS H H 1 0.785298 0.012437 . . . 227 LYS N . 227 LYS H 50332 1 157 . 1 1 196 196 THR N N 15 . 1 1 196 196 THR H H 1 0.824531 0.013595 . . . 229 THR N . 229 THR H 50332 1 158 . 1 1 197 197 ASP N N 15 . 1 1 197 197 ASP H H 1 0.868896 0.015734 . . . 230 ASP N . 230 ASP H 50332 1 159 . 1 1 198 198 THR N N 15 . 1 1 198 198 THR H H 1 0.553859 0.007682 . . . 231 THR N . 231 THR H 50332 1 160 . 1 1 199 199 LYS N N 15 . 1 1 199 199 LYS H H 1 0.525360 0.010383 . . . 232 LYS N . 232 LYS H 50332 1 161 . 1 1 200 200 PHE N N 15 . 1 1 200 200 PHE H H 1 0.565363 0.009618 . . . 233 PHE N . 233 PHE H 50332 1 162 . 1 1 203 203 SER N N 15 . 1 1 203 203 SER H H 1 0.628500 0.021637 . . . 236 SER N . 236 SER H 50332 1 163 . 1 1 206 206 GLY N N 15 . 1 1 206 206 GLY H H 1 0.714160 0.010529 . . . 239 GLY N . 239 GLY H 50332 1 164 . 1 1 207 207 GLN N N 15 . 1 1 207 207 GLN H H 1 0.785953 0.01007 . . . 240 GLN N . 240 GLN H 50332 1 165 . 1 1 208 208 GLU N N 15 . 1 1 208 208 GLU H H 1 0.818214 0.008828 . . . 241 GLU N . 241 GLU H 50332 1 166 . 1 1 209 209 VAL N N 15 . 1 1 209 209 VAL H H 1 0.787479 0.009816 . . . 242 VAL N . 242 VAL H 50332 1 167 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.794568 0.011456 . . . 243 SER N . 243 SER H 50332 1 168 . 1 1 211 211 PHE N N 15 . 1 1 211 211 PHE H H 1 0.897933 0.012948 . . . 244 PHE N . 244 PHE H 50332 1 169 . 1 1 212 212 GLU N N 15 . 1 1 212 212 GLU H H 1 0.833623 0.009066 . . . 245 GLU N . 245 GLU H 50332 1 170 . 1 1 213 213 SER N N 15 . 1 1 213 213 SER H H 1 0.895179 0.008672 . . . 246 SER N . 246 SER H 50332 1 171 . 1 1 214 214 VAL N N 15 . 1 1 214 214 VAL H H 1 0.900077 0.009152 . . . 247 VAL N . 247 VAL H 50332 1 172 . 1 1 215 215 LYS N N 15 . 1 1 215 215 LYS H H 1 0.845474 0.010175 . . . 248 LYS N . 248 LYS H 50332 1 173 . 1 1 216 216 GLU N N 15 . 1 1 216 216 GLU H H 1 0.816860 0.006657 . . . 249 GLU N . 249 GLU H 50332 1 174 . 1 1 217 217 ILE N N 15 . 1 1 217 217 ILE H H 1 0.812639 0.012629 . . . 250 ILE N . 250 ILE H 50332 1 175 . 1 1 220 220 ASP N N 15 . 1 1 220 220 ASP H H 1 0.849170 0.012401 . . . 253 ASP N . 253 ASP H 50332 1 176 . 1 1 221 221 ILE N N 15 . 1 1 221 221 ILE H H 1 0.893791 0.012031 . . . 254 ILE N . 254 ILE H 50332 1 177 . 1 1 222 222 LEU N N 15 . 1 1 222 222 LEU H H 1 0.829775 0.009269 . . . 255 LEU N . 255 LEU H 50332 1 178 . 1 1 223 223 PHE N N 15 . 1 1 223 223 PHE H H 1 0.835155 0.013859 . . . 256 PHE N . 256 PHE H 50332 1 179 . 1 1 224 224 VAL N N 15 . 1 1 224 224 VAL H H 1 0.901684 0.009151 . . . 257 VAL N . 257 VAL H 50332 1 180 . 1 1 225 225 ILE N N 15 . 1 1 225 225 ILE H H 1 0.871443 0.014105 . . . 258 ILE N . 258 ILE H 50332 1 181 . 1 1 226 226 ASN N N 15 . 1 1 226 226 ASN H H 1 0.812267 0.013675 . . . 259 ASN N . 259 ASN H 50332 1 182 . 1 1 227 227 ARG N N 15 . 1 1 227 227 ARG H H 1 0.865765 0.016579 . . . 260 ARG N . 260 ARG H 50332 1 183 . 1 1 228 228 THR N N 15 . 1 1 228 228 THR H H 1 0.831238 0.011462 . . . 261 THR N . 261 THR H 50332 1 184 . 1 1 229 229 LEU N N 15 . 1 1 229 229 LEU H H 1 0.862783 0.012023 . . . 262 LEU N . 262 LEU H 50332 1 185 . 1 1 230 230 ALA N N 15 . 1 1 230 230 ALA H H 1 0.803205 0.011443 . . . 263 ALA N . 263 ALA H 50332 1 186 . 1 1 231 231 ILE N N 15 . 1 1 231 231 ILE H H 1 0.806273 0.013334 . . . 264 ILE N . 264 ILE H 50332 1 187 . 1 1 232 232 GLY N N 15 . 1 1 232 232 GLY H H 1 0.811594 0.009073 . . . 265 GLY N . 265 GLY H 50332 1 188 . 1 1 233 233 GLY N N 15 . 1 1 233 233 GLY H H 1 0.515016 0.008054 . . . 266 GLY N . 266 GLY H 50332 1 189 . 1 1 235 235 ASN N N 15 . 1 1 235 235 ASN H H 1 0.732187 0.0184 . . . 268 ASN N . 268 ASN H 50332 1 190 . 1 1 236 236 SER N N 15 . 1 1 236 236 SER H H 1 0.845048 0.01017 . . . 269 SER N . 269 SER H 50332 1 191 . 1 1 237 237 SER N N 15 . 1 1 237 237 SER H H 1 0.743198 0.012767 . . . 270 SER N . 270 SER H 50332 1 192 . 1 1 238 238 ASN N N 15 . 1 1 238 238 ASN H H 1 0.755070 0.010455 . . . 271 ASN N . 271 ASN H 50332 1 193 . 1 1 239 239 ASP N N 15 . 1 1 239 239 ASP H H 1 0.752390 0.006696 . . . 272 ASP N . 272 ASP H 50332 1 194 . 1 1 240 240 GLY N N 15 . 1 1 240 240 GLY H H 1 0.713102 0.013097 . . . 273 GLY N . 273 GLY H 50332 1 195 . 1 1 241 241 VAL N N 15 . 1 1 241 241 VAL H H 1 0.724956 0.006441 . . . 274 VAL N . 274 VAL H 50332 1 196 . 1 1 242 242 LEU N N 15 . 1 1 242 242 LEU H H 1 0.726948 0.011114 . . . 275 LEU N . 275 LEU H 50332 1 197 . 1 1 243 243 GLU N N 15 . 1 1 243 243 GLU H H 1 0.758787 0.009775 . . . 276 GLU N . 276 GLU H 50332 1 198 . 1 1 244 244 ASN N N 15 . 1 1 244 244 ASN H H 1 0.708516 0.006548 . . . 277 ASN N . 277 ASN H 50332 1 199 . 1 1 245 245 ALA N N 15 . 1 1 245 245 ALA H H 1 0.851052 0.013217 . . . 278 ALA N . 278 ALA H 50332 1 200 . 1 1 246 246 LEU N N 15 . 1 1 246 246 LEU H H 1 0.851692 0.009549 . . . 279 LEU N . 279 LEU H 50332 1 201 . 1 1 247 247 ILE N N 15 . 1 1 247 247 ILE H H 1 0.760065 0.01097 . . . 280 ILE N . 280 ILE H 50332 1 202 . 1 1 248 248 ALA N N 15 . 1 1 248 248 ALA H H 1 0.842523 0.008039 . . . 281 ALA N . 281 ALA H 50332 1 203 . 1 1 249 249 GLU N N 15 . 1 1 249 249 GLU H H 1 0.771801 0.00933 . . . 282 GLU N . 282 GLU H 50332 1 204 . 1 1 250 250 THR N N 15 . 1 1 250 250 THR H H 1 0.840081 0.009129 . . . 283 THR N . 283 THR H 50332 1 205 . 1 1 252 252 ALA N N 15 . 1 1 252 252 ALA H H 1 0.786364 0.008673 . . . 285 ALA N . 285 ALA H 50332 1 206 . 1 1 253 253 ALA N N 15 . 1 1 253 253 ALA H H 1 0.843437 0.00753 . . . 286 ALA N . 286 ALA H 50332 1 207 . 1 1 255 255 ASN N N 15 . 1 1 255 255 ASN H H 1 0.834499 0.008463 . . . 288 ASN N . 288 ASN H 50332 1 208 . 1 1 256 256 GLY N N 15 . 1 1 256 256 GLY H H 1 0.867468 0.007387 . . . 289 GLY N . 289 GLY H 50332 1 209 . 1 1 257 257 LYS N N 15 . 1 1 257 257 LYS H H 1 0.826628 0.011021 . . . 290 LYS N . 290 LYS H 50332 1 210 . 1 1 258 258 ILE N N 15 . 1 1 258 258 ILE H H 1 0.870388 0.008137 . . . 291 ILE N . 291 ILE H 50332 1 211 . 1 1 259 259 ILE N N 15 . 1 1 259 259 ILE H H 1 0.890405 0.011004 . . . 292 ILE N . 292 ILE H 50332 1 212 . 1 1 260 260 GLN N N 15 . 1 1 260 260 GLN H H 1 0.888408 0.012276 . . . 293 GLN N . 293 GLN H 50332 1 213 . 1 1 261 261 LEU N N 15 . 1 1 261 261 LEU H H 1 0.785864 0.016038 . . . 294 LEU N . 294 LEU H 50332 1 214 . 1 1 262 262 THR N N 15 . 1 1 262 262 THR H H 1 0.804753 0.0161 . . . 295 THR N . 295 THR H 50332 1 215 . 1 1 264 264 ASP N N 15 . 1 1 264 264 ASP H H 1 0.860167 0.011507 . . . 297 ASP N . 297 ASP H 50332 1 216 . 1 1 266 266 TRP N N 15 . 1 1 266 266 TRP H H 1 0.873264 0.017074 . . . 299 TRP N . 299 TRP H 50332 1 217 . 1 1 267 267 TYR N N 15 . 1 1 267 267 TYR H H 1 0.883919 0.011618 . . . 300 TYR N . 300 TYR H 50332 1 218 . 1 1 268 268 LEU N N 15 . 1 1 268 268 LEU H H 1 0.889491 0.016567 . . . 301 LEU N . 301 LEU H 50332 1 219 . 1 1 269 269 SER N N 15 . 1 1 269 269 SER H H 1 0.782009 0.008269 . . . 302 SER N . 302 SER H 50332 1 220 . 1 1 270 270 GLY N N 15 . 1 1 270 270 GLY H H 1 0.807689 0.010207 . . . 303 GLY N . 303 GLY H 50332 1 221 . 1 1 271 271 GLY N N 15 . 1 1 271 271 GLY H H 1 0.885658 0.013304 . . . 304 GLY N . 304 GLY H 50332 1 222 . 1 1 272 272 GLY N N 15 . 1 1 272 272 GLY H H 1 0.897238 0.010805 . . . 305 GLY N . 305 GLY H 50332 1 223 . 1 1 273 273 LEU N N 15 . 1 1 273 273 LEU H H 1 0.898117 0.016144 . . . 306 LEU N . 306 LEU H 50332 1 224 . 1 1 274 274 GLU N N 15 . 1 1 274 274 GLU H H 1 0.861709 0.013131 . . . 307 GLU N . 307 GLU H 50332 1 225 . 1 1 275 275 SER N N 15 . 1 1 275 275 SER H H 1 0.878772 0.016243 . . . 308 SER N . 308 SER H 50332 1 226 . 1 1 277 277 LYS N N 15 . 1 1 277 277 LYS H H 1 0.847808 0.010818 . . . 310 LYS N . 310 LYS H 50332 1 227 . 1 1 279 279 MET N N 15 . 1 1 279 279 MET H H 1 0.889562 0.013677 . . . 312 MET N . 312 MET H 50332 1 228 . 1 1 280 280 ILE N N 15 . 1 1 280 280 ILE H H 1 0.857422 0.012852 . . . 313 ILE N . 313 ILE H 50332 1 229 . 1 1 282 282 ASP N N 15 . 1 1 282 282 ASP H H 1 0.803779 0.009731 . . . 315 ASP N . 315 ASP H 50332 1 230 . 1 1 283 283 ILE N N 15 . 1 1 283 283 ILE H H 1 0.784508 0.014731 . . . 316 ILE N . 316 ILE H 50332 1 231 . 1 1 284 284 GLN N N 15 . 1 1 284 284 GLN H H 1 0.816249 0.011757 . . . 317 GLN N . 317 GLN H 50332 1 232 . 1 1 286 286 ALA N N 15 . 1 1 286 286 ALA H H 1 0.747366 0.007851 . . . 319 ALA N . 319 ALA H 50332 1 233 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.627729 0.008323 . . . 320 LEU N . 320 LEU H 50332 1 234 . 1 1 288 288 LYS N N 15 . 1 1 288 288 LYS H H 1 0.210258 0.004034 . . . 321 LYS N . 321 LYS H 50332 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 50332 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'apo PiuA T1' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 'T1/R1 relaxation' . . . 50332 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 50332 1 2 $software_2 . . 50332 1 3 $software_3 . . 50332 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 5 5 ALA N N 15 1.07549193 0.12756275 . . 38 ALA N 50332 1 2 . 1 1 7 7 THR N N 15 0.80218825 0.06179646 . . 40 THR N 50332 1 3 . 1 1 8 8 GLU N N 15 0.80424835 0.03431989 . . 41 GLU N 50332 1 4 . 1 1 9 9 ILE N N 15 1.05546078 0.03789684 . . 42 ILE N 50332 1 5 . 1 1 10 10 THR N N 15 1.07019844 0.0404498 . . 43 THR N 50332 1 6 . 1 1 11 11 ILE N N 15 1.14368474 0.04336597 . . 44 ILE N 50332 1 7 . 1 1 12 12 LYS N N 15 1.06871349 0.04457053 . . 45 LYS N 50332 1 8 . 1 1 13 13 SER N N 15 1.28257264 0.03393362 . . 46 SER N 50332 1 9 . 1 1 15 15 LEU N N 15 1.03558452 0.05791302 . . 48 LEU N 50332 1 10 . 1 1 16 16 ASP N N 15 1.08376608 0.05990013 . . 49 ASP N 50332 1 11 . 1 1 17 17 GLU N N 15 1.06587873 0.07366465 . . 50 GLU N 50332 1 12 . 1 1 18 18 VAL N N 15 1.20004022 0.09513358 . . 51 VAL N 50332 1 13 . 1 1 19 19 LYS N N 15 1.13063093 0.04382555 . . 52 LYS N 50332 1 14 . 1 1 20 20 LEU N N 15 1.17006582 0.03308676 . . 53 LEU N 50332 1 15 . 1 1 21 21 SER N N 15 1.23018313 0.08593456 . . 54 SER N 50332 1 16 . 1 1 22 22 LYS N N 15 1.18471007 0.06171866 . . 55 LYS N 50332 1 17 . 1 1 23 23 VAL N N 15 1.22600637 0.02072778 . . 56 VAL N 50332 1 18 . 1 1 25 25 GLU N N 15 1.21409502 0.03391391 . . 58 GLU N 50332 1 19 . 1 1 26 26 LYS N N 15 1.06220697 0.01580259 . . 59 LYS N 50332 1 20 . 1 1 27 27 ILE N N 15 1.02544946 0.01159265 . . 60 ILE N 50332 1 21 . 1 1 28 28 VAL N N 15 1.10388354 0.02954819 . . 61 VAL N 50332 1 22 . 1 1 30 30 PHE N N 15 1.13729478 0.04260061 . . 63 PHE N 50332 1 23 . 1 1 32 32 LEU N N 15 1.13609166 0.04002591 . . 65 LEU N 50332 1 24 . 1 1 33 33 GLY N N 15 1.12507196 0.04877898 . . 66 GLY N 50332 1 25 . 1 1 34 34 ALA N N 15 1.11343911 0.03946487 . . 67 ALA N 50332 1 26 . 1 1 35 35 ALA N N 15 1.16062781 0.03733686 . . 68 ALA N 50332 1 27 . 1 1 36 36 ASP N N 15 1.12359187 0.04382046 . . 69 ASP N 50332 1 28 . 1 1 37 37 THR N N 15 1.1060382 0.02737703 . . 70 THR N 50332 1 29 . 1 1 39 39 ARG N N 15 1.15305851 0.05550513 . . 72 ARG N 50332 1 30 . 1 1 40 40 ALA N N 15 0.98578112 0.02660542 . . 73 ALA N 50332 1 31 . 1 1 41 41 LEU N N 15 1.10293027 0.03463446 . . 74 LEU N 50332 1 32 . 1 1 42 42 GLY N N 15 1.27950055 0.03633786 . . 75 GLY N 50332 1 33 . 1 1 43 43 PHE N N 15 1.21230151 0.0192734 . . 76 PHE N 50332 1 34 . 1 1 44 44 GLU N N 15 1.09771888 0.03529814 . . 77 GLU N 50332 1 35 . 1 1 45 45 LYS N N 15 1.03429644 0.01379252 . . 78 LYS N 50332 1 36 . 1 1 47 47 ILE N N 15 1.08497273 0.00487315 . . 80 ILE N 50332 1 37 . 1 1 48 48 VAL N N 15 1.04525186 0.03207847 . . 81 VAL N 50332 1 38 . 1 1 49 49 GLY N N 15 1.08794359 0.02521421 . . 82 GLY N 50332 1 39 . 1 1 50 50 MET N N 15 1.03751364 0.018247 . . 83 MET N 50332 1 40 . 1 1 52 52 THR N N 15 1.14189859 0.06429624 . . 85 THR N 50332 1 41 . 1 1 53 53 LYS N N 15 1.05492272 0.06966879 . . 86 LYS N 50332 1 42 . 1 1 54 54 THR N N 15 1.18116273 0.1008853 . . 87 THR N 50332 1 43 . 1 1 55 55 VAL N N 15 1.0673763 0.08945208 . . 88 VAL N 50332 1 44 . 1 1 57 57 THR N N 15 1.27450624 0.06481348 . . 90 THR N 50332 1 45 . 1 1 58 58 TYR N N 15 1.12536078 0.05158493 . . 91 TYR N 50332 1 46 . 1 1 59 59 LEU N N 15 1.19995833 0.03511071 . . 92 LEU N 50332 1 47 . 1 1 62 62 LEU N N 15 1.27422243 0.02843907 . . 95 LEU N 50332 1 48 . 1 1 63 63 VAL N N 15 1.17686776 0.03191872 . . 96 VAL N 50332 1 49 . 1 1 64 64 GLY N N 15 1.09894834 0.0600355 . . 97 GLY N 50332 1 50 . 1 1 65 65 THR N N 15 1.15255491 0.06323471 . . 98 THR N 50332 1 51 . 1 1 66 66 VAL N N 15 1.26186203 0.03616773 . . 99 VAL N 50332 1 52 . 1 1 67 67 LYS N N 15 1.12449437 0.01031438 . . 100 LYS N 50332 1 53 . 1 1 68 68 ASN N N 15 1.09355625 0.05108326 . . 101 ASN N 50332 1 54 . 1 1 69 69 VAL N N 15 1.14886591 0.0360929 . . 102 VAL N 50332 1 55 . 1 1 70 70 GLY N N 15 1.09769171 0.0514492 . . 103 GLY N 50332 1 56 . 1 1 71 71 SER N N 15 1.11957479 0.06113797 . . 104 SER N 50332 1 57 . 1 1 72 72 MET N N 15 1.10488006 0.09578439 . . 105 MET N 50332 1 58 . 1 1 73 73 LYS N N 15 0.86539529 0.05818792 . . 106 LYS N 50332 1 59 . 1 1 74 74 GLU N N 15 1.1146731 0.07401067 . . 107 GLU N 50332 1 60 . 1 1 76 76 ASP N N 15 1.10834573 0.03226094 . . 109 ASP N 50332 1 61 . 1 1 77 77 LEU N N 15 1.18832872 0.02667437 . . 110 LEU N 50332 1 62 . 1 1 79 79 ALA N N 15 1.2097458 0.01427581 . . 112 ALA N 50332 1 63 . 1 1 80 80 ILE N N 15 1.20407767 0.02434413 . . 113 ILE N 50332 1 64 . 1 1 83 83 LEU N N 15 1.19048444 0.01704745 . . 116 LEU N 50332 1 65 . 1 1 84 84 GLU N N 15 1.05380939 0.01669097 . . 117 GLU N 50332 1 66 . 1 1 86 86 ASP N N 15 1.11231333 0.01578905 . . 119 ASP N 50332 1 67 . 1 1 87 87 LEU N N 15 1.09566002 0.02161156 . . 120 LEU N 50332 1 68 . 1 1 88 88 ILE N N 15 1.10051769 0.03152631 . . 121 ILE N 50332 1 69 . 1 1 89 89 ILE N N 15 1.05789363 0.02914426 . . 122 ILE N 50332 1 70 . 1 1 90 90 ALA N N 15 1.08056457 0.03581159 . . 123 ALA N 50332 1 71 . 1 1 91 91 SER N N 15 1.12751744 0.06826275 . . 124 SER N 50332 1 72 . 1 1 93 93 ARG N N 15 1.1112221 0.13356725 . . 126 ARG N 50332 1 73 . 1 1 94 94 THR N N 15 1.13918628 0.09146434 . . 127 THR N 50332 1 74 . 1 1 95 95 GLN N N 15 1.13746893 0.06554783 . . 128 GLN N 50332 1 75 . 1 1 96 96 LYS N N 15 1.24921054 0.12761853 . . 129 LYS N 50332 1 76 . 1 1 97 97 PHE N N 15 1.14697562 0.05975184 . . 130 PHE N 50332 1 77 . 1 1 98 98 VAL N N 15 1.2662148 0.04307093 . . 131 VAL N 50332 1 78 . 1 1 99 99 ASP N N 15 1.22529166 0.03817603 . . 132 ASP N 50332 1 79 . 1 1 100 100 LYS N N 15 1.39700082 0.03592204 . . 133 LYS N 50332 1 80 . 1 1 101 101 PHE N N 15 1.22896566 0.02687675 . . 134 PHE N 50332 1 81 . 1 1 102 102 LYS N N 15 1.16881514 0.01653038 . . 135 LYS N 50332 1 82 . 1 1 103 103 GLU N N 15 1.31040887 0.01617447 . . 136 GLU N 50332 1 83 . 1 1 105 105 ALA N N 15 1.29382204 0.03839145 . . 138 ALA N 50332 1 84 . 1 1 107 107 THR N N 15 1.14085797 0.02488613 . . 140 THR N 50332 1 85 . 1 1 108 108 VAL N N 15 1.07241648 0.0408065 . . 141 VAL N 50332 1 86 . 1 1 109 109 LEU N N 15 1.11192154 0.06658667 . . 142 LEU N 50332 1 87 . 1 1 110 110 PHE N N 15 1.11964618 0.09531617 . . 143 PHE N 50332 1 88 . 1 1 111 111 GLN N N 15 1.20603068 0.07456203 . . 144 GLN N 50332 1 89 . 1 1 112 112 ALA N N 15 1.2010671 0.13240513 . . 145 ALA N 50332 1 90 . 1 1 113 113 SER N N 15 1.01119724 0.09185969 . . 146 SER N 50332 1 91 . 1 1 114 114 LYS N N 15 1.12743591 0.13991237 . . 147 LYS N 50332 1 92 . 1 1 116 116 ASP N N 15 1.07963554 0.10297173 . . 149 ASP N 50332 1 93 . 1 1 117 117 TYR N N 15 1.18988765 0.09872176 . . 150 TYR N 50332 1 94 . 1 1 118 118 TRP N N 15 1.13018464 0.0770141 . . 151 TRP N 50332 1 95 . 1 1 119 119 THR N N 15 1.29495237 0.14424641 . . 152 THR N 50332 1 96 . 1 1 120 120 SER N N 15 1.27834002 0.13944648 . . 153 SER N 50332 1 97 . 1 1 121 121 THR N N 15 1.33338243 0.11362886 . . 154 THR N 50332 1 98 . 1 1 122 122 LYS N N 15 1.22130707 0.06472139 . . 155 LYS N 50332 1 99 . 1 1 123 123 ALA N N 15 1.24767628 0.05405016 . . 156 ALA N 50332 1 100 . 1 1 124 124 ASN N N 15 1.2522539 0.05025966 . . 157 ASN N 50332 1 101 . 1 1 125 125 ILE N N 15 1.19611993 0.05906626 . . 158 ILE N 50332 1 102 . 1 1 126 126 GLU N N 15 1.18424496 0.03575189 . . 159 GLU N 50332 1 103 . 1 1 127 127 SER N N 15 1.2782337 0.04337874 . . 160 SER N 50332 1 104 . 1 1 130 130 SER N N 15 1.25807457 0.07059538 . . 163 SER N 50332 1 105 . 1 1 131 131 ALA N N 15 1.27848673 0.04591814 . . 164 ALA N 50332 1 106 . 1 1 132 132 PHE N N 15 1.28902087 0.0443178 . . 165 PHE N 50332 1 107 . 1 1 133 133 GLY N N 15 1.16386647 0.05898486 . . 166 GLY N 50332 1 108 . 1 1 134 134 GLU N N 15 1.34625251 0.10504214 . . 167 GLU N 50332 1 109 . 1 1 135 135 THR N N 15 1.29925151 0.17461005 . . 168 THR N 50332 1 110 . 1 1 137 137 THR N N 15 1.30608661 0.07568465 . . 170 THR N 50332 1 111 . 1 1 138 138 GLN N N 15 1.28967599 0.05640742 . . 171 GLN N 50332 1 112 . 1 1 139 139 LYS N N 15 1.30957106 0.04478038 . . 172 LYS N 50332 1 113 . 1 1 140 140 ALA N N 15 1.26006264 0.04534599 . . 173 ALA N 50332 1 114 . 1 1 142 142 GLU N N 15 1.2268298 0.01563816 . . 175 GLU N 50332 1 115 . 1 1 143 143 GLU N N 15 1.27959897 0.02351399 . . 176 GLU N 50332 1 116 . 1 1 144 144 LEU N N 15 1.18929516 0.0566585 . . 177 LEU N 50332 1 117 . 1 1 145 145 ALA N N 15 1.33948168 0.04656566 . . 178 ALA N 50332 1 118 . 1 1 146 146 LYS N N 15 1.25129512 0.02636339 . . 179 LYS N 50332 1 119 . 1 1 147 147 LEU N N 15 1.33075663 0.02651391 . . 180 LEU N 50332 1 120 . 1 1 148 148 ASP N N 15 1.33451461 0.03203384 . . 181 ASP N 50332 1 121 . 1 1 149 149 LYS N N 15 1.27659334 0.01328121 . . 182 LYS N 50332 1 122 . 1 1 150 150 SER N N 15 1.28666896 0.0425318 . . 183 SER N 50332 1 123 . 1 1 152 152 GLN N N 15 1.3071676 0.03739439 . . 185 GLN N 50332 1 124 . 1 1 153 153 GLU N N 15 1.1687679 0.01891842 . . 186 GLU N 50332 1 125 . 1 1 155 155 ALA N N 15 1.33442691 0.06302318 . . 188 ALA N 50332 1 126 . 1 1 156 156 THR N N 15 1.25091787 0.07232187 . . 189 THR N 50332 1 127 . 1 1 157 157 LYS N N 15 1.27792497 0.04687957 . . 190 LYS N 50332 1 128 . 1 1 159 159 GLU N N 15 1.28635485 0.06545015 . . 192 GLU N 50332 1 129 . 1 1 160 160 SER N N 15 1.18096029 0.07476908 . . 193 SER N 50332 1 130 . 1 1 161 161 SER N N 15 1.34945275 0.11802168 . . 194 SER N 50332 1 131 . 1 1 162 162 ASP N N 15 1.23520992 0.16405214 . . 195 ASP N 50332 1 132 . 1 1 164 164 LYS N N 15 1.4557119 0.07664157 . . 197 LYS N 50332 1 133 . 1 1 165 165 ALA N N 15 1.17978108 0.05508259 . . 198 ALA N 50332 1 134 . 1 1 166 166 LEU N N 15 1.08956053 0.0529709 . . 199 LEU N 50332 1 135 . 1 1 167 167 ALA N N 15 1.05986502 0.0487904 . . 200 ALA N 50332 1 136 . 1 1 168 168 ILE N N 15 1.04936984 0.04991873 . . 201 ILE N 50332 1 137 . 1 1 169 169 LEU N N 15 1.04799507 0.02776647 . . 202 LEU N 50332 1 138 . 1 1 170 170 LEU N N 15 1.19368931 0.07431286 . . 203 LEU N 50332 1 139 . 1 1 171 171 ASN N N 15 1.34756168 0.07519286 . . 204 ASN N 50332 1 140 . 1 1 173 173 GLY N N 15 1.16667652 0.06357028 . . 206 GLY N 50332 1 141 . 1 1 174 174 LYS N N 15 1.23761669 0.04391961 . . 207 LYS N 50332 1 142 . 1 1 175 175 MET N N 15 1.27358011 0.04955856 . . 208 MET N 50332 1 143 . 1 1 176 176 ALA N N 15 1.16491906 0.04339378 . . 209 ALA N 50332 1 144 . 1 1 177 177 ALA N N 15 1.13575704 0.04715256 . . 210 ALA N 50332 1 145 . 1 1 179 179 GLY N N 15 1.16774124 0.09992251 . . 212 GLY N 50332 1 146 . 1 1 180 180 ALA N N 15 1.08992739 0.07207915 . . 213 ALA N 50332 1 147 . 1 1 181 181 LYS N N 15 1.21592429 0.09377517 . . 214 LYS N 50332 1 148 . 1 1 185 185 SER N N 15 1.10021473 0.11442914 . . 218 SER N 50332 1 149 . 1 1 186 186 PHE N N 15 1.05818685 0.08343995 . . 219 PHE N 50332 1 150 . 1 1 187 187 LEU N N 15 1.09508605 0.0735398 . . 220 LEU N 50332 1 151 . 1 1 188 188 TYR N N 15 1.13266016 0.05905777 . . 221 TYR N 50332 1 152 . 1 1 189 189 GLN N N 15 1.15328565 0.08107778 . . 222 GLN N 50332 1 153 . 1 1 190 190 THR N N 15 1.09214273 0.04446902 . . 223 THR N 50332 1 154 . 1 1 191 191 LEU N N 15 1.09643549 0.04182134 . . 224 LEU N 50332 1 155 . 1 1 192 192 LYS N N 15 1.14595768 0.04311174 . . 225 LYS N 50332 1 156 . 1 1 194 194 LYS N N 15 1.19951434 0.0533208 . . 227 LYS N 50332 1 157 . 1 1 196 196 THR N N 15 1.18464194 0.09599762 . . 229 THR N 50332 1 158 . 1 1 197 197 ASP N N 15 1.20306668 0.09028683 . . 230 ASP N 50332 1 159 . 1 1 198 198 THR N N 15 1.05792144 0.08195505 . . 231 THR N 50332 1 160 . 1 1 199 199 LYS N N 15 1.18604809 0.07290383 . . 232 LYS N 50332 1 161 . 1 1 200 200 PHE N N 15 1.17360128 0.07326445 . . 233 PHE N 50332 1 162 . 1 1 203 203 SER N N 15 1.10626872 0.13918245 . . 236 SER N 50332 1 163 . 1 1 206 206 GLY N N 15 1.01462051 0.0966696 . . 239 GLY N 50332 1 164 . 1 1 207 207 GLN N N 15 1.09073913 0.07520863 . . 240 GLN N 50332 1 165 . 1 1 208 208 GLU N N 15 1.06861801 0.0473525 . . 241 GLU N 50332 1 166 . 1 1 209 209 VAL N N 15 1.10527456 0.02933843 . . 242 VAL N 50332 1 167 . 1 1 210 210 SER N N 15 1.17288857 0.07362885 . . 243 SER N 50332 1 168 . 1 1 211 211 PHE N N 15 1.0494257 0.04749682 . . 244 PHE N 50332 1 169 . 1 1 212 212 GLU N N 15 1.08313694 0.05517044 . . 245 GLU N 50332 1 170 . 1 1 213 213 SER N N 15 1.10006188 0.05931692 . . 246 SER N 50332 1 171 . 1 1 214 214 VAL N N 15 1.01858348 0.02274354 . . 247 VAL N 50332 1 172 . 1 1 215 215 LYS N N 15 1.04316465 0.03191536 . . 248 LYS N 50332 1 173 . 1 1 216 216 GLU N N 15 1.12781657 0.03291323 . . 249 GLU N 50332 1 174 . 1 1 217 217 ILE N N 15 1.11288064 0.04721109 . . 250 ILE N 50332 1 175 . 1 1 220 220 ASP N N 15 1.14567551 0.04758696 . . 253 ASP N 50332 1 176 . 1 1 221 221 ILE N N 15 1.08961647 0.03275311 . . 254 ILE N 50332 1 177 . 1 1 222 222 LEU N N 15 1.05086162 0.03094386 . . 255 LEU N 50332 1 178 . 1 1 223 223 PHE N N 15 1.1176711 0.03941035 . . 256 PHE N 50332 1 179 . 1 1 224 224 VAL N N 15 1.17790444 0.03588009 . . 257 VAL N 50332 1 180 . 1 1 225 225 ILE N N 15 1.14097784 0.0348574 . . 258 ILE N 50332 1 181 . 1 1 226 226 ASN N N 15 1.09788861 0.05436092 . . 259 ASN N 50332 1 182 . 1 1 227 227 ARG N N 15 1.24172599 0.06706165 . . 260 ARG N 50332 1 183 . 1 1 228 228 THR N N 15 1.23879584 0.08928886 . . 261 THR N 50332 1 184 . 1 1 229 229 LEU N N 15 1.15188624 0.0504669 . . 262 LEU N 50332 1 185 . 1 1 230 230 ALA N N 15 1.21150482 0.0751261 . . 263 ALA N 50332 1 186 . 1 1 231 231 ILE N N 15 1.30114433 0.07750979 . . 264 ILE N 50332 1 187 . 1 1 232 232 GLY N N 15 1.04740194 0.04190988 . . 265 GLY N 50332 1 188 . 1 1 233 233 GLY N N 15 0.98091279 0.0720325 . . 266 GLY N 50332 1 189 . 1 1 235 235 ASN N N 15 1.18160589 0.10639587 . . 268 ASN N 50332 1 190 . 1 1 236 236 SER N N 15 1.13399314 0.11677878 . . 269 SER N 50332 1 191 . 1 1 237 237 SER N N 15 1.1917257 0.11900139 . . 270 SER N 50332 1 192 . 1 1 238 238 ASN N N 15 1.12732277 0.08265721 . . 271 ASN N 50332 1 193 . 1 1 239 239 ASP N N 15 1.08532641 0.06769915 . . 272 ASP N 50332 1 194 . 1 1 240 240 GLY N N 15 1.19475883 0.08120787 . . 273 GLY N 50332 1 195 . 1 1 241 241 VAL N N 15 1.27527093 0.061554 . . 274 VAL N 50332 1 196 . 1 1 242 242 LEU N N 15 1.12821748 0.02486388 . . 275 LEU N 50332 1 197 . 1 1 243 243 GLU N N 15 1.16573802 0.02447761 . . 276 GLU N 50332 1 198 . 1 1 244 244 ASN N N 15 1.25753611 0.02443396 . . 277 ASN N 50332 1 199 . 1 1 245 245 ALA N N 15 1.16454087 0.0717211 . . 278 ALA N 50332 1 200 . 1 1 246 246 LEU N N 15 1.07701631 0.03680547 . . 279 LEU N 50332 1 201 . 1 1 247 247 ILE N N 15 1.11586762 0.01469478 . . 280 ILE N 50332 1 202 . 1 1 248 248 ALA N N 15 1.05607599 0.02639608 . . 281 ALA N 50332 1 203 . 1 1 249 249 GLU N N 15 1.05502519 0.02326022 . . 282 GLU N 50332 1 204 . 1 1 250 250 THR N N 15 1.09755781 0.01596194 . . 283 THR N 50332 1 205 . 1 1 252 252 ALA N N 15 1.08790912 0.03194318 . . 285 ALA N 50332 1 206 . 1 1 253 253 ALA N N 15 1.06345672 0.01561745 . . 286 ALA N 50332 1 207 . 1 1 255 255 ASN N N 15 1.09997402 0.03177606 . . 288 ASN N 50332 1 208 . 1 1 256 256 GLY N N 15 1.12161979 0.0253265 . . 289 GLY N 50332 1 209 . 1 1 257 257 LYS N N 15 1.33944367 0.02448051 . . 290 LYS N 50332 1 210 . 1 1 258 258 ILE N N 15 1.07863711 0.02592535 . . 291 ILE N 50332 1 211 . 1 1 259 259 ILE N N 15 1.12609513 0.02907698 . . 292 ILE N 50332 1 212 . 1 1 260 260 GLN N N 15 1.09339998 0.04375652 . . 293 GLN N 50332 1 213 . 1 1 261 261 LEU N N 15 1.19625615 0.04377707 . . 294 LEU N 50332 1 214 . 1 1 262 262 THR N N 15 1.16365898 0.08842443 . . 295 THR N 50332 1 215 . 1 1 264 264 ASP N N 15 1.18608632 0.05163022 . . 297 ASP N 50332 1 216 . 1 1 266 266 TRP N N 15 1.13378591 0.05566937 . . 299 TRP N 50332 1 217 . 1 1 267 267 TYR N N 15 1.06012442 0.05628978 . . 300 TYR N 50332 1 218 . 1 1 268 268 LEU N N 15 1.13423698 0.05805768 . . 301 LEU N 50332 1 219 . 1 1 269 269 SER N N 15 1.36248918 0.07450776 . . 302 SER N 50332 1 220 . 1 1 270 270 GLY N N 15 1.18881004 0.04670505 . . 303 GLY N 50332 1 221 . 1 1 271 271 GLY N N 15 1.17931723 0.05769944 . . 304 GLY N 50332 1 222 . 1 1 272 272 GLY N N 15 1.24729288 0.04369471 . . 305 GLY N 50332 1 223 . 1 1 273 273 LEU N N 15 1.2448922 0.04801021 . . 306 LEU N 50332 1 224 . 1 1 274 274 GLU N N 15 1.17049587 0.0441787 . . 307 GLU N 50332 1 225 . 1 1 275 275 SER N N 15 1.276205 0.04474739 . . 308 SER N 50332 1 226 . 1 1 277 277 LYS N N 15 1.27447013 0.03584769 . . 310 LYS N 50332 1 227 . 1 1 279 279 MET N N 15 1.36319691 0.0719683 . . 312 MET N 50332 1 228 . 1 1 280 280 ILE N N 15 1.35357508 0.04555127 . . 313 ILE N 50332 1 229 . 1 1 282 282 ASP N N 15 1.26919289 0.04219288 . . 315 ASP N 50332 1 230 . 1 1 283 283 ILE N N 15 1.22676451 0.02162713 . . 316 ILE N 50332 1 231 . 1 1 284 284 GLN N N 15 1.10188374 0.02157318 . . 317 GLN N 50332 1 232 . 1 1 286 286 ALA N N 15 1.21311254 0.0438186 . . 319 ALA N 50332 1 233 . 1 1 287 287 LEU N N 15 1.08337358 0.02313361 . . 320 LEU N 50332 1 234 . 1 1 288 288 LYS N N 15 1.00185205 0.02408732 . . 321 LYS N 50332 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 50332 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'apo PiuA T2' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method - _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 'T2/R2 relaxation' . . . 50332 1 4 'backbone relaxation dispersion' . . . 50332 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 50332 1 2 $software_2 . . 50332 1 3 $software_3 . . 50332 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 5 5 ALA N N 15 0.37035727 0.0192681 1.542142222 0.968925071 . . 38 ALA N 50332 1 2 . 1 1 7 7 THR N N 15 0.25482522 0.00758899 9.71333E-09 0.598915288 . . 40 THR N 50332 1 3 . 1 1 8 8 GLU N N 15 0.17814868 0.00298425 0.392911546 0.558134748 . . 41 GLU N 50332 1 4 . 1 1 9 9 ILE N N 15 0.0755903 0.00113138 2.328326032 0.769347999 . . 42 ILE N 50332 1 5 . 1 1 10 10 THR N N 15 0.06711016 0.00041615 1.27232E-08 0.519304877 . . 43 THR N 50332 1 6 . 1 1 11 11 ILE N N 15 0.05844191 0.00122954 0.668095728 0.604891789 . . 44 ILE N 50332 1 7 . 1 1 12 12 LYS N N 15 0.0584763 0.00078057 3.5841101 1.838747673 . . 45 LYS N 50332 1 8 . 1 1 13 13 SER N N 15 0.04673571 0.00059916 0.220307087 0.637613082 . . 46 SER N 50332 1 9 . 1 1 15 15 LEU N N 15 0.05776575 0.0005147 0.878185891 0.891703928 . . 48 LEU N 50332 1 10 . 1 1 17 17 GLU N N 15 0.06270603 0.00145157 2.699086141 0.72096266 . . 50 GLU N 50332 1 11 . 1 1 18 18 VAL N N 15 0.05529902 0.00136824 0.724692639 0.885412145 . . 51 VAL N 50332 1 12 . 1 1 19 19 LYS N N 15 0.06561419 0.00116376 2.908616221 0.931372169 . . 52 LYS N 50332 1 13 . 1 1 20 20 LEU N N 15 0.06719964 0.00082649 . . . . 53 LEU N 50332 1 14 . 1 1 21 21 SER N N 15 0.06538666 0.00069721 1.762550308 0.66505052 . . 54 SER N 50332 1 15 . 1 1 22 22 LYS N N 15 0.05650302 0.00044292 0.64983747 0.270698261 . . 55 LYS N 50332 1 16 . 1 1 23 23 VAL N N 15 0.08347396 0.00228184 0.36519729 0.738267562 . . 56 VAL N 50332 1 17 . 1 1 25 25 GLU N N 15 0.05982297 0.00164638 6.473846545 1.443996199 . . 58 GLU N 50332 1 18 . 1 1 26 26 LYS N N 15 0.06276436 0.00077032 1.461309477 1.09117642 . . 59 LYS N 50332 1 19 . 1 1 27 27 ILE N N 15 0.0600783 0.00106658 4.40615E-08 0.476616535 . . 60 ILE N 50332 1 20 . 1 1 28 28 VAL N N 15 0.05670624 0.00122967 2.106075082 1.285963063 . . 61 VAL N 50332 1 21 . 1 1 30 30 PHE N N 15 0.05564173 0.00109581 . . . . 63 PHE N 50332 1 22 . 1 1 31 31 ASP N N 15 . 0.056299376 0.80172411 . . . 64 ASP N 50332 1 23 . 1 1 32 32 LEU N N 15 0.05127817 0.00106401 2.713094544 1.716023936 . . 65 LEU N 50332 1 24 . 1 1 33 33 GLY N N 15 0.06005306 0.00097441 4.09611187 2.200726813 . . 66 GLY N 50332 1 25 . 1 1 34 34 ALA N N 15 0.05504861 0.00071243 0.489282565 0.398073477 . . 67 ALA N 50332 1 26 . 1 1 35 35 ALA N N 15 0.05312796 0.00073965 1.177073143 0.339257151 . . 68 ALA N 50332 1 27 . 1 1 36 36 ASP N N 15 0.04921823 0.00043784 0.960474197 0.722191742 . . 69 ASP N 50332 1 28 . 1 1 37 37 THR N N 15 0.05677122 0.00096115 3.935294719 1.01320296 . . 70 THR N 50332 1 29 . 1 1 39 39 ARG N N 15 0.05069799 0.00078507 0.46549275 0.260348467 . . 72 ARG N 50332 1 30 . 1 1 40 40 ALA N N 15 0.05481097 0.00045224 4.013068007 1.345000099 . . 73 ALA N 50332 1 31 . 1 1 41 41 LEU N N 15 0.05808821 0.0011451 1.125667142 0.51420496 . . 74 LEU N 50332 1 32 . 1 1 42 42 GLY N N 15 0.04988758 0.00194755 1.59861E-15 6.127276093 . . 75 GLY N 50332 1 33 . 1 1 43 43 PHE N N 15 0.05109899 0.00052799 3.3933E-08 0.307812618 . . 76 PHE N 50332 1 34 . 1 1 44 44 GLU N N 15 0.05606706 0.00111962 1.10264E-11 0.607995913 . . 77 GLU N 50332 1 35 . 1 1 45 45 LYS N N 15 0.05524134 0.00035114 1.91474E-14 0.411666448 . . 78 LYS N 50332 1 36 . 1 1 47 47 ILE N N 15 0.05576251 0.00089852 3.00569E-09 0.609126723 . . 80 ILE N 50332 1 37 . 1 1 48 48 VAL N N 15 0.05784094 0.00135919 0.473597412 0.602060186 . . 81 VAL N 50332 1 38 . 1 1 49 49 GLY N N 15 0.05575585 0.00179991 0.339453233 1.578855112 . . 82 GLY N 50332 1 39 . 1 1 50 50 MET N N 15 0.05848162 0.00136306 0.94718286 0.821012775 . . 83 MET N 50332 1 40 . 1 1 52 52 THR N N 15 0.06421865 0.00095211 1.860585775 0.903321237 . . 85 THR N 50332 1 41 . 1 1 53 53 LYS N N 15 0.06024444 0.0007627 0.062247203 0.576103019 . . 86 LYS N 50332 1 42 . 1 1 54 54 THR N N 15 0.06117172 0.00097674 2.253360063 1.225317695 . . 87 THR N 50332 1 43 . 1 1 55 55 VAL N N 15 0.08033778 0.00131585 1.217665488 0.61353155 . . 88 VAL N 50332 1 44 . 1 1 57 57 THR N N 15 0.0495224 0.00069516 2.167282569 0.568405889 . . 90 THR N 50332 1 45 . 1 1 58 58 TYR N N 15 0.04956108 0.00074961 4.36868E-09 0.650981913 . . 91 TYR N 50332 1 46 . 1 1 59 59 LEU N N 15 0.04872865 0.00059343 1.362737912 0.681799116 . . 92 LEU N 50332 1 47 . 1 1 62 62 LEU N N 15 0.05067119 0.00042311 0.376304052 0.614235723 . . 95 LEU N 50332 1 48 . 1 1 63 63 VAL N N 15 0.05246494 0.00057137 0.970613215 0.723492653 . . 96 VAL N 50332 1 49 . 1 1 64 64 GLY N N 15 0.06537215 0.00201349 4.367682198 4.666076843 . . 97 GLY N 50332 1 50 . 1 1 65 65 THR N N 15 0.06010778 0.00072871 1.235652827 1.650200698 . . 98 THR N 50332 1 51 . 1 1 66 66 VAL N N 15 0.06490434 0.00179905 0.799137994 0.60492008 . . 99 VAL N 50332 1 52 . 1 1 67 67 LYS N N 15 0.05839956 0.00094245 0.07736791 0.484111918 . . 100 LYS N 50332 1 53 . 1 1 68 68 ASN N N 15 0.06234005 0.00041832 0.723953889 0.320747329 . . 101 ASN N 50332 1 54 . 1 1 69 69 VAL N N 15 0.06133022 0.00103604 0.908015329 0.376139468 . . 102 VAL N 50332 1 55 . 1 1 70 70 GLY N N 15 0.05968735 0.00080931 1.84969784 1.094053843 . . 103 GLY N 50332 1 56 . 1 1 71 71 SER N N 15 0.06377664 0.0009498 0.730275531 0.682616779 . . 104 SER N 50332 1 57 . 1 1 72 72 MET N N 15 0.05826844 0.00208818 2.099065619 0.680847682 . . 105 MET N 50332 1 58 . 1 1 73 73 LYS N N 15 0.0687611 0.00137999 1.400650054 0.839843157 . . 106 LYS N 50332 1 59 . 1 1 74 74 GLU N N 15 0.06459715 0.00066605 1.070004942 0.702966394 . . 107 GLU N 50332 1 60 . 1 1 76 76 ASP N N 15 0.06094051 0.00093802 1.261005254 0.569551402 . . 109 ASP N 50332 1 61 . 1 1 77 77 LEU N N 15 0.05456888 0.00091711 1.702451437 0.372662647 . . 110 LEU N 50332 1 62 . 1 1 79 79 ALA N N 15 0.04721349 0.00082277 0.020533184 0.461847243 . . 112 ALA N 50332 1 63 . 1 1 80 80 ILE N N 15 0.05424477 0.00123529 1.250948251 0.387653014 . . 113 ILE N 50332 1 64 . 1 1 83 83 LEU N N 15 0.05514992 0.00100502 0.195761599 0.442858506 . . 116 LEU N 50332 1 65 . 1 1 84 84 GLU N N 15 0.05818802 0.00177451 1.200775758 0.783832064 . . 117 GLU N 50332 1 66 . 1 1 86 86 ASP N N 15 0.05561706 0.00122788 1.560606464 0.643132236 . . 119 ASP N 50332 1 67 . 1 1 87 87 LEU N N 15 0.05766556 0.00056392 0.505161326 0.336764784 . . 120 LEU N 50332 1 68 . 1 1 88 88 ILE N N 15 0.05910129 0.00043997 3.482197219 1.103682692 . . 121 ILE N 50332 1 69 . 1 1 89 89 ILE N N 15 0.06118671 0.00070884 4.318570847 1.389426596 . . 122 ILE N 50332 1 70 . 1 1 90 90 ALA N N 15 0.05844343 0.00090234 1.657642664 0.94371795 . . 123 ALA N 50332 1 71 . 1 1 91 91 SER N N 15 0.06264782 0.00102673 1.979424172 1.030606637 . . 124 SER N 50332 1 72 . 1 1 93 93 ARG N N 15 0.06121839 0.00283124 1.653658381 1.074494905 . . 126 ARG N 50332 1 73 . 1 1 94 94 THR N N 15 0.05707045 0.00115174 7.707385504 3.38266301 . . 127 THR N 50332 1 74 . 1 1 95 95 GLN N N 15 0.04898519 0.0008176 1.071063007 0.416221478 . . 128 GLN N 50332 1 75 . 1 1 96 96 LYS N N 15 0.0503294 0.00103359 1.167829455 0.452338516 . . 129 LYS N 50332 1 76 . 1 1 97 97 PHE N N 15 0.05465652 0.00063946 1.619631792 0.7564511 . . 130 PHE N 50332 1 77 . 1 1 98 98 VAL N N 15 0.04564502 0.00028523 0.006478103 0.413827632 . . 131 VAL N 50332 1 78 . 1 1 99 99 ASP N N 15 0.04979584 0.00066995 0.426871977 0.715836664 . . 132 ASP N 50332 1 79 . 1 1 100 100 LYS N N 15 0.05191087 0.00077028 8.58302E-14 0.776366883 . . 133 LYS N 50332 1 80 . 1 1 101 101 PHE N N 15 0.05041406 0.00050651 9.58846E-10 0.4425971 . . 134 PHE N 50332 1 81 . 1 1 102 102 LYS N N 15 0.04842009 0.00082311 1.468117129 0.459793567 . . 135 LYS N 50332 1 82 . 1 1 103 103 GLU N N 15 0.04813527 0.00081949 1.528271324 0.450448274 . . 136 GLU N 50332 1 83 . 1 1 105 105 ALA N N 15 0.05455298 0.00071219 0.825343845 0.741047365 . . 138 ALA N 50332 1 84 . 1 1 107 107 THR N N 15 0.05964378 0.00059115 1.320016745 0.521915184 . . 140 THR N 50332 1 85 . 1 1 108 108 VAL N N 15 0.05220098 0.00083358 2.293964841 0.57125884 . . 141 VAL N 50332 1 86 . 1 1 109 109 LEU N N 15 0.05104218 0.00069317 0.618249678 0.423679532 . . 142 LEU N 50332 1 87 . 1 1 110 110 PHE N N 15 0.05667774 0.00118113 1.00467E-15 2.986822235 . . 143 PHE N 50332 1 88 . 1 1 111 111 GLN N N 15 0.06005153 0.00138249 1.50633E-09 0.872361469 . . 144 GLN N 50332 1 89 . 1 1 112 112 ALA N N 15 0.0678783 0.00212769 5.142793855 1.726081835 . . 145 ALA N 50332 1 90 . 1 1 113 113 SER N N 15 0.0730353 0.00107908 0.859101565 0.217057068 . . 146 SER N 50332 1 91 . 1 1 114 114 LYS N N 15 0.06642897 0.0026573 0.475838039 0.781153225 . . 147 LYS N 50332 1 92 . 1 1 116 116 ASP N N 15 0.07026799 0.00142205 0.689771398 0.282275855 . . 149 ASP N 50332 1 93 . 1 1 117 117 TYR N N 15 0.04969495 0.00061342 2.531562594 0.526319979 . . 150 TYR N 50332 1 94 . 1 1 118 118 TRP N N 15 0.04698148 0.00116802 0.026222397 0.829657893 . . 151 TRP N 50332 1 95 . 1 1 119 119 THR N N 15 0.05243486 0.00088304 1.18472357 0.292570821 . . 152 THR N 50332 1 96 . 1 1 120 120 SER N N 15 0.04507747 0.00170764 2.722849579 0.700598244 . . 153 SER N 50332 1 97 . 1 1 121 121 THR N N 15 0.0476681 0.00088756 1.125513537 0.637828348 . . 154 THR N 50332 1 98 . 1 1 122 122 LYS N N 15 0.04603921 0.00071801 0.012364311 0.561502268 . . 155 LYS N 50332 1 99 . 1 1 123 123 ALA N N 15 0.04920369 0.00077396 0.392948174 0.437106595 . . 156 ALA N 50332 1 100 . 1 1 124 124 ASN N N 15 0.04614086 0.00033908 7.29952E-13 0.546693903 . . 157 ASN N 50332 1 101 . 1 1 125 125 ILE N N 15 0.05013002 0.00095852 1.526534801 0.279092835 . . 158 ILE N 50332 1 102 . 1 1 126 126 GLU N N 15 0.04641402 0.00034565 0.607681612 0.403974939 . . 159 GLU N 50332 1 103 . 1 1 127 127 SER N N 15 0.0470213 0.000426 1.070083376 0.315105878 . . 160 SER N 50332 1 104 . 1 1 130 130 SER N N 15 0.05345731 0.00049794 1.512638514 1.210114616 . . 163 SER N 50332 1 105 . 1 1 131 131 ALA N N 15 0.04455467 0.00094118 2.763305079 1.199907723 . . 164 ALA N 50332 1 106 . 1 1 132 132 PHE N N 15 0.05197471 0.00080676 1.826956983 2.051461101 . . 165 PHE N 50332 1 107 . 1 1 133 133 GLY N N 15 0.05614267 0.00100602 3.091283158 2.424108312 . . 166 GLY N 50332 1 108 . 1 1 134 134 GLU N N 15 0.04914157 0.00052868 0.872024183 0.464296571 . . 167 GLU N 50332 1 109 . 1 1 135 135 THR N N 15 0.05057205 0.00211018 2.948290841 0.638245046 . . 168 THR N 50332 1 110 . 1 1 137 137 THR N N 15 0.04706349 0.00050626 6.52212E-12 0.38125712 . . 170 THR N 50332 1 111 . 1 1 138 138 GLN N N 15 0.04756442 0.00058064 7.65424E-16 0.442259916 . . 171 GLN N 50332 1 112 . 1 1 139 139 LYS N N 15 0.04744901 0.00031732 4.52099E-11 0.451588934 . . 172 LYS N 50332 1 113 . 1 1 140 140 ALA N N 15 0.04667593 0.0004217 3.64477E-13 0.580946115 . . 173 ALA N 50332 1 114 . 1 1 141 141 LYS N N 15 . 1.306014832 0.418124041 . . . 174 LYS N 50332 1 115 . 1 1 142 142 GLU N N 15 0.04816223 0.00025375 0.15728223 0.642710525 . . 175 GLU N 50332 1 116 . 1 1 143 143 GLU N N 15 0.04804788 0.00056805 1.024628896 0.671144963 . . 176 GLU N 50332 1 117 . 1 1 144 144 LEU N N 15 0.05779672 0.00075807 0.399218508 0.599567085 . . 177 LEU N 50332 1 118 . 1 1 145 145 ALA N N 15 0.04721473 0.00106272 9.50973E-13 0.507435567 . . 178 ALA N 50332 1 119 . 1 1 146 146 LYS N N 15 0.04859005 0.00041319 0.551224498 0.254409809 . . 179 LYS N 50332 1 120 . 1 1 147 147 LEU N N 15 0.04590753 0.0007571 1.550740354 0.67689864 . . 180 LEU N 50332 1 121 . 1 1 148 148 ASP N N 15 0.0453333 0.00060366 0.394195021 0.256374842 . . 181 ASP N 50332 1 122 . 1 1 149 149 LYS N N 15 0.05043349 0.0010531 2.41786E-16 0.504723461 . . 182 LYS N 50332 1 123 . 1 1 150 150 SER N N 15 0.04801447 0.00025177 1.51827E-09 0.552194484 . . 183 SER N 50332 1 124 . 1 1 152 152 GLN N N 15 0.04643546 0.00054255 1.14876E-12 0.474117197 . . 185 GLN N 50332 1 125 . 1 1 153 153 GLU N N 15 0.04745709 0.00072833 0.318246677 0.256055941 . . 186 GLU N 50332 1 126 . 1 1 155 155 ALA N N 15 0.04621118 0.00051518 2.85528E-09 0.743961634 . . 188 ALA N 50332 1 127 . 1 1 156 156 THR N N 15 0.05482315 0.00061569 2.998535009 1.142375477 . . 189 THR N 50332 1 128 . 1 1 157 157 LYS N N 15 0.05066971 0.00036828 0.470989651 0.508625465 . . 190 LYS N 50332 1 129 . 1 1 159 159 GLU N N 15 0.05256757 0.00085349 0.237469445 0.514574032 . . 192 GLU N 50332 1 130 . 1 1 160 160 SER N N 15 0.06791928 0.00131657 2.137511156 1.0704076 . . 193 SER N 50332 1 131 . 1 1 161 161 SER N N 15 0.057716 0.00063479 1.619660619 0.549212931 . . 194 SER N 50332 1 132 . 1 1 162 162 ASP N N 15 0.06796169 0.00192222 2.687029905 0.638576616 . . 195 ASP N 50332 1 133 . 1 1 164 164 LYS N N 15 0.05168062 0.00070507 2.519526357 0.572614999 . . 197 LYS N 50332 1 134 . 1 1 165 165 ALA N N 15 0.05717845 0.00048425 2.270767346 0.957087178 . . 198 ALA N 50332 1 135 . 1 1 166 166 LEU N N 15 0.05772355 0.0009116 0.526084642 1.097375779 . . 199 LEU N 50332 1 136 . 1 1 167 167 ALA N N 15 0.06217973 0.00163517 5.110852952 2.648650607 . . 200 ALA N 50332 1 137 . 1 1 168 168 ILE N N 15 0.06200875 0.00065714 0.654956995 0.554511014 . . 201 ILE N 50332 1 138 . 1 1 169 169 LEU N N 15 0.05976164 0.0009318 2.848951796 0.819987438 . . 202 LEU N 50332 1 139 . 1 1 170 170 LEU N N 15 0.05531506 0.0009806 1.516459719 0.758680251 . . 203 LEU N 50332 1 140 . 1 1 171 171 ASN N N 15 0.05198499 0.00072917 3.16328E-11 0.460767664 . . 204 ASN N 50332 1 141 . 1 1 173 173 GLY N N 15 0.05628169 0.00283772 5.985744173 2.291175399 . . 206 GLY N 50332 1 142 . 1 1 174 174 LYS N N 15 0.04919017 0.00027925 4.88803E-11 0.294163665 . . 207 LYS N 50332 1 143 . 1 1 175 175 MET N N 15 0.05498103 0.00039775 0.819246655 0.649492492 . . 208 MET N 50332 1 144 . 1 1 176 176 ALA N N 15 0.06060589 0.00064373 2.39261219 0.860012068 . . 209 ALA N 50332 1 145 . 1 1 177 177 ALA N N 15 0.05567843 0.00177419 3.231612166 1.205089201 . . 210 ALA N 50332 1 146 . 1 1 179 179 GLY N N 15 0.05992874 0.00160767 2.009002129 1.134783652 . . 212 GLY N 50332 1 147 . 1 1 180 180 ALA N N 15 0.05120638 0.0003867 0.046871771 0.557925932 . . 213 ALA N 50332 1 148 . 1 1 181 181 LYS N N 15 0.05724277 0.00099553 0.597796119 0.321143223 . . 214 LYS N 50332 1 149 . 1 1 185 185 SER N N 15 0.05649871 0.00084287 1.529579881 0.579187467 . . 218 SER N 50332 1 150 . 1 1 186 186 PHE N N 15 0.05107505 0.00145292 2.67646456 0.479963456 . . 219 PHE N 50332 1 151 . 1 1 187 187 LEU N N 15 0.04741341 0.00078467 3.893246923 0.799648976 . . 220 LEU N 50332 1 152 . 1 1 188 188 TYR N N 15 0.05932871 0.00100359 2.191904031 0.701144587 . . 221 TYR N 50332 1 153 . 1 1 189 189 GLN N N 15 0.05955913 0.00127929 0.040260056 0.829606441 . . 222 GLN N 50332 1 154 . 1 1 190 190 THR N N 15 0.06785117 0.00071468 1.266578442 0.700749237 . . 223 THR N 50332 1 155 . 1 1 191 191 LEU N N 15 0.05960371 0.00058465 1.302085268 0.592076521 . . 224 LEU N 50332 1 156 . 1 1 192 192 LYS N N 15 0.05293071 0.0011711 3.468821655 1.512235341 . . 225 LYS N 50332 1 157 . 1 1 194 194 LYS N N 15 0.06037883 0.00093205 1.660393319 0.945573866 . . 227 LYS N 50332 1 158 . 1 1 196 196 THR N N 15 0.05416649 0.00083677 4.524122212 3.256669245 . . 229 THR N 50332 1 159 . 1 1 197 197 ASP N N 15 0.05276581 0.00107618 1.676083002 0.50882069 . . 230 ASP N 50332 1 160 . 1 1 198 198 THR N N 15 0.08209648 0.00121878 0.366696732 0.345145276 . . 231 THR N 50332 1 161 . 1 1 199 199 LYS N N 15 0.06981755 0.00112985 2.392023854 0.9682149 . . 232 LYS N 50332 1 162 . 1 1 200 200 PHE N N 15 0.07008853 0.00055718 0.577078729 0.737444545 . . 233 PHE N 50332 1 163 . 1 1 203 203 SER N N 15 0.08236064 0.00226402 0.189130207 0.596522053 . . 236 SER N 50332 1 164 . 1 1 206 206 GLY N N 15 0.06053929 0.00078193 4.211667705 2.631478567 . . 239 GLY N 50332 1 165 . 1 1 207 207 GLN N N 15 0.06089817 0.00067738 1.40402E-11 0.203329913 . . 240 GLN N 50332 1 166 . 1 1 208 208 GLU N N 15 0.05876666 0.00122028 2.42701041 1.987193211 . . 241 GLU N 50332 1 167 . 1 1 209 209 VAL N N 15 0.05263241 0.00088915 1.375105284 0.393046448 . . 242 VAL N 50332 1 168 . 1 1 210 210 SER N N 15 0.06222737 0.00041905 0.569943066 0.366970499 . . 243 SER N 50332 1 169 . 1 1 211 211 PHE N N 15 0.05832244 0.00064795 0.192956691 0.662404204 . . 244 PHE N 50332 1 170 . 1 1 212 212 GLU N N 15 0.05896243 0.00045705 0.220592057 0.33418127 . . 245 GLU N 50332 1 171 . 1 1 213 213 SER N N 15 0.0575467 0.0011743 4.52422E-08 0.517814522 . . 246 SER N 50332 1 172 . 1 1 214 214 VAL N N 15 0.05480248 0.0009577 1.66087E-08 0.55055747 . . 247 VAL N 50332 1 173 . 1 1 215 215 LYS N N 15 0.05181288 0.00065846 1.011887304 0.511311097 . . 248 LYS N 50332 1 174 . 1 1 216 216 GLU N N 15 0.05603478 0.00078615 0.50237931 0.522954318 . . 249 GLU N 50332 1 175 . 1 1 217 217 ILE N N 15 0.05749523 0.00056247 0.039348968 0.471219523 . . 250 ILE N 50332 1 176 . 1 1 220 220 ASP N N 15 0.05449052 0.00086361 0.724934131 0.605029922 . . 253 ASP N 50332 1 177 . 1 1 221 221 ILE N N 15 0.06064125 0.00078982 1.172344145 0.249598476 . . 254 ILE N 50332 1 178 . 1 1 222 222 LEU N N 15 0.05621417 0.00068144 1.885885424 1.924027032 . . 255 LEU N 50332 1 179 . 1 1 223 223 PHE N N 15 0.06184769 0.00089738 1.201339639 0.754069517 . . 256 PHE N 50332 1 180 . 1 1 224 224 VAL N N 15 0.05619424 0.00054202 . . . . 257 VAL N 50332 1 181 . 1 1 225 225 ILE N N 15 0.05924764 0.00064926 4.408990995 0.965556145 . . 258 ILE N 50332 1 182 . 1 1 226 226 ASN N N 15 0.05996893 0.00102662 4.559336396 1.708586771 . . 259 ASN N 50332 1 183 . 1 1 227 227 ARG N N 15 0.05232429 0.00060487 4.130089361 1.504955282 . . 260 ARG N 50332 1 184 . 1 1 228 228 THR N N 15 0.05170635 0.00030794 0.549247469 0.268520611 . . 261 THR N 50332 1 185 . 1 1 229 229 LEU N N 15 0.05096693 0.00071698 0.314936578 0.422695141 . . 262 LEU N 50332 1 186 . 1 1 230 230 ALA N N 15 0.05244951 0.00114945 1.39957E-12 0.640655153 . . 263 ALA N 50332 1 187 . 1 1 231 231 ILE N N 15 0.0456082 0.00093841 5.65846E-18 4.454688982 . . 264 ILE N 50332 1 188 . 1 1 232 232 GLY N N 15 0.06486984 0.00090145 3.626813921 1.482177534 . . 265 GLY N 50332 1 189 . 1 1 233 233 GLY N N 15 0.0691615 0.00116489 3.380151349 1.818728887 . . 266 GLY N 50332 1 190 . 1 1 235 235 ASN N N 15 0.06261765 0.00106806 2.651991042 1.396218065 . . 268 ASN N 50332 1 191 . 1 1 236 236 SER N N 15 0.05394728 0.00101603 0.635259082 0.410953181 . . 269 SER N 50332 1 192 . 1 1 237 237 SER N N 15 0.05406966 0.00098606 2.069441733 0.826940213 . . 270 SER N 50332 1 193 . 1 1 238 238 ASN N N 15 0.06433308 0.00144146 0.271957812 0.33915174 . . 271 ASN N 50332 1 194 . 1 1 239 239 ASP N N 15 0.05930941 0.00243269 1.14408979 0.743548788 . . 272 ASP N 50332 1 195 . 1 1 240 240 GLY N N 15 0.06907138 0.00170845 2.497558236 0.916274927 . . 273 GLY N 50332 1 196 . 1 1 241 241 VAL N N 15 0.0526946 0.00064023 2.1796E-13 0.607623366 . . 274 VAL N 50332 1 197 . 1 1 242 242 LEU N N 15 0.05649674 0.00084731 1.830630557 0.672576025 . . 275 LEU N 50332 1 198 . 1 1 243 243 GLU N N 15 0.06089456 0.00076804 1.094251857 0.457586993 . . 276 GLU N 50332 1 199 . 1 1 244 244 ASN N N 15 0.05166075 0.00040368 1.24395E-10 0.378813532 . . 277 ASN N 50332 1 200 . 1 1 245 245 ALA N N 15 0.05863365 0.00105863 2.336788289 1.035985704 . . 278 ALA N 50332 1 201 . 1 1 246 246 LEU N N 15 0.05785319 0.00056869 0.794303861 0.523069314 . . 279 LEU N 50332 1 202 . 1 1 247 247 ILE N N 15 0.06274469 0.00078957 5.41014E-10 0.628421545 . . 280 ILE N 50332 1 203 . 1 1 248 248 ALA N N 15 0.05595511 0.00086336 7.65279E-07 0.312518344 . . 281 ALA N 50332 1 204 . 1 1 249 249 GLU N N 15 0.06133439 0.00127571 0.361822441 0.543354741 . . 282 GLU N 50332 1 205 . 1 1 250 250 THR N N 15 0.06229072 0.00064033 2.462905987 0.983961951 . . 283 THR N 50332 1 206 . 1 1 252 252 ALA N N 15 0.05890305 0.00038363 0.332046242 0.46475338 . . 285 ALA N 50332 1 207 . 1 1 253 253 ALA N N 15 0.05720657 0.00044985 0.719172714 0.379858845 . . 286 ALA N 50332 1 208 . 1 1 255 255 ASN N N 15 0.0644409 0.00104924 1.346855389 1.092072369 . . 288 ASN N 50332 1 209 . 1 1 256 256 GLY N N 15 0.05235702 0.00148325 1.105590564 1.509674717 . . 289 GLY N 50332 1 210 . 1 1 257 257 LYS N N 15 0.05144187 0.00039716 0.165013146 0.478347564 . . 290 LYS N 50332 1 211 . 1 1 258 258 ILE N N 15 0.05875485 0.00063438 1.31197E-13 0.535061508 . . 291 ILE N 50332 1 212 . 1 1 259 259 ILE N N 15 0.06123179 0.00066062 8.155422983 2.986372814 . . 292 ILE N 50332 1 213 . 1 1 260 260 GLN N N 15 0.06489603 0.00082374 3.059857322 1.812469949 . . 293 GLN N 50332 1 214 . 1 1 261 261 LEU N N 15 0.06066259 0.00135781 2.940993378 1.273805527 . . 294 LEU N 50332 1 215 . 1 1 262 262 THR N N 15 0.0594097 0.00178182 1.47225967 0.588421491 . . 295 THR N 50332 1 216 . 1 1 264 264 ASP N N 15 0.06089007 0.00056736 1.209043927 0.303098833 . . 297 ASP N 50332 1 217 . 1 1 266 266 TRP N N 15 0.0509594 0.0028397 2.67491932 0.882384025 . . 299 TRP N 50332 1 218 . 1 1 267 267 TYR N N 15 0.05606978 0.00072934 0.50596383 0.459971163 . . 300 TYR N 50332 1 219 . 1 1 268 268 LEU N N 15 0.05584945 0.00077883 0.416415088 1.0851672 . . 301 LEU N 50332 1 220 . 1 1 269 269 SER N N 15 0.04803846 0.00220635 1.564854097 0.834411767 . . 302 SER N 50332 1 221 . 1 1 270 270 GLY N N 15 0.05582409 0.00121714 4.667657879 2.336534382 . . 303 GLY N 50332 1 222 . 1 1 271 271 GLY N N 15 0.05218743 0.00107361 5.531436099 2.57306844 . . 304 GLY N 50332 1 223 . 1 1 272 272 GLY N N 15 0.04746209 0.00052248 3.366918017 5.381683031 . . 305 GLY N 50332 1 224 . 1 1 273 273 LEU N N 15 0.04671319 0.00069762 0.08304002 0.584226262 . . 306 LEU N 50332 1 225 . 1 1 274 274 GLU N N 15 0.05116866 0.0004708 2.22645E-08 0.417987631 . . 307 GLU N 50332 1 226 . 1 1 275 275 SER N N 15 0.04884218 0.00085097 1.825882673 0.767301228 . . 308 SER N 50332 1 227 . 1 1 277 277 LYS N N 15 0.04568184 0.00051572 0.306103197 0.398248803 . . 310 LYS N 50332 1 228 . 1 1 278 278 LEU N N 15 . 0.604069499 0.457415548 . . . 311 LEU N 50332 1 229 . 1 1 279 279 MET N N 15 0.04696441 0.00079219 0.51958767 0.709142842 . . 312 MET N 50332 1 230 . 1 1 280 280 ILE N N 15 0.04440576 0.00039631 0.646795292 0.483722911 . . 313 ILE N 50332 1 231 . 1 1 282 282 ASP N N 15 0.04650814 0.00051202 0.660916442 0.360235601 . . 315 ASP N 50332 1 232 . 1 1 283 283 ILE N N 15 0.04534933 0.00063347 5.392264245 1.532873966 . . 316 ILE N 50332 1 233 . 1 1 284 284 GLN N N 15 0.05020117 0.00104271 1.04788911 0.433824073 . . 317 GLN N 50332 1 234 . 1 1 286 286 ALA N N 15 0.05001535 0.00042721 1.232243497 0.534259681 . . 319 ALA N 50332 1 235 . 1 1 287 287 LEU N N 15 0.06281792 0.00091007 0.872430591 0.392085449 . . 320 LEU N 50332 1 236 . 1 1 288 288 LYS N N 15 0.11352451 0.00081569 1.173894392 0.953174904 . . 321 LYS N 50332 1 stop_ save_