data_50332 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone relaxation rates for apo form of the solute binding protein PiuA ; _BMRB_accession_number 50332 _BMRB_flat_file_name bmr50332.str _Entry_type original _Submission_date 2020-06-19 _Accession_date 2020-06-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Edmonds Katherine A. . 2 Zhang Yifan . . 3 Wu Hongwei . . 4 Giedroc David P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 234 "T2 relaxation values" 236 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-25 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 28056 'Backbone assignments of the apo form of the solute binding protein PiuA' 28057 'Backbone assignments of the holo form of the solute binding protein PiuA, with Ga(III) 4-LICAM' 50333 'Backbone relaxation rates for the solute binding protein PiuA bound to Ga(III) 4-LICAM' stop_ _Original_release_date 2020-06-19 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The pneumococcal iron uptake protein A (PiuA) specifically recognizes tetradentate FeIII bis- and mono-catechol complexes ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32795535 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Yifan . . 2 Edmonds Katherine A. . 3 Raines Daniel J. . 4 Murphy Brennan A. . 5 Wu Hongwei . . 6 Guo Chuchu . . 7 Nolan Elizabeth M. . 8 VanNieuwenhze Michael S. . 9 Duhme-Klair Anne K. . 10 Giedroc David P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'apo PiuA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PiuA $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'iron uptake' 'solute binding for ABC transporter' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Substrate binding protein of ABC transporter' 'iron uptake' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 288 _Mol_residue_sequence ; SHMSAPTEITIKSSLDEVKL SKVPEKIVTFDLGAADTIRA LGFEKNIVGMPTKTVPTYLK DLVGTVKNVGSMKEPDLEAI AALEPDLIIASPRTQKFVDK FKEIAPTVLFQASKDDYWTS TKANIESLASAFGETSTQKA KEELAKLDKSIQEVATKNES SDKKALAILLNEGKMAAFGA KSRFSFLYQTLKFKPTDTKF EDSRHGQEVSFESVKEINPD ILFVINRTLAIGGDNSSNDG VLENALIAETPAAKNGKIIQ LTPDLWYLSGGGLESTKLMI EDIQKALK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 HIS 3 3 MET 4 37 SER 5 38 ALA 6 39 PRO 7 40 THR 8 41 GLU 9 42 ILE 10 43 THR 11 44 ILE 12 45 LYS 13 46 SER 14 47 SER 15 48 LEU 16 49 ASP 17 50 GLU 18 51 VAL 19 52 LYS 20 53 LEU 21 54 SER 22 55 LYS 23 56 VAL 24 57 PRO 25 58 GLU 26 59 LYS 27 60 ILE 28 61 VAL 29 62 THR 30 63 PHE 31 64 ASP 32 65 LEU 33 66 GLY 34 67 ALA 35 68 ALA 36 69 ASP 37 70 THR 38 71 ILE 39 72 ARG 40 73 ALA 41 74 LEU 42 75 GLY 43 76 PHE 44 77 GLU 45 78 LYS 46 79 ASN 47 80 ILE 48 81 VAL 49 82 GLY 50 83 MET 51 84 PRO 52 85 THR 53 86 LYS 54 87 THR 55 88 VAL 56 89 PRO 57 90 THR 58 91 TYR 59 92 LEU 60 93 LYS 61 94 ASP 62 95 LEU 63 96 VAL 64 97 GLY 65 98 THR 66 99 VAL 67 100 LYS 68 101 ASN 69 102 VAL 70 103 GLY 71 104 SER 72 105 MET 73 106 LYS 74 107 GLU 75 108 PRO 76 109 ASP 77 110 LEU 78 111 GLU 79 112 ALA 80 113 ILE 81 114 ALA 82 115 ALA 83 116 LEU 84 117 GLU 85 118 PRO 86 119 ASP 87 120 LEU 88 121 ILE 89 122 ILE 90 123 ALA 91 124 SER 92 125 PRO 93 126 ARG 94 127 THR 95 128 GLN 96 129 LYS 97 130 PHE 98 131 VAL 99 132 ASP 100 133 LYS 101 134 PHE 102 135 LYS 103 136 GLU 104 137 ILE 105 138 ALA 106 139 PRO 107 140 THR 108 141 VAL 109 142 LEU 110 143 PHE 111 144 GLN 112 145 ALA 113 146 SER 114 147 LYS 115 148 ASP 116 149 ASP 117 150 TYR 118 151 TRP 119 152 THR 120 153 SER 121 154 THR 122 155 LYS 123 156 ALA 124 157 ASN 125 158 ILE 126 159 GLU 127 160 SER 128 161 LEU 129 162 ALA 130 163 SER 131 164 ALA 132 165 PHE 133 166 GLY 134 167 GLU 135 168 THR 136 169 SER 137 170 THR 138 171 GLN 139 172 LYS 140 173 ALA 141 174 LYS 142 175 GLU 143 176 GLU 144 177 LEU 145 178 ALA 146 179 LYS 147 180 LEU 148 181 ASP 149 182 LYS 150 183 SER 151 184 ILE 152 185 GLN 153 186 GLU 154 187 VAL 155 188 ALA 156 189 THR 157 190 LYS 158 191 ASN 159 192 GLU 160 193 SER 161 194 SER 162 195 ASP 163 196 LYS 164 197 LYS 165 198 ALA 166 199 LEU 167 200 ALA 168 201 ILE 169 202 LEU 170 203 LEU 171 204 ASN 172 205 GLU 173 206 GLY 174 207 LYS 175 208 MET 176 209 ALA 177 210 ALA 178 211 PHE 179 212 GLY 180 213 ALA 181 214 LYS 182 215 SER 183 216 ARG 184 217 PHE 185 218 SER 186 219 PHE 187 220 LEU 188 221 TYR 189 222 GLN 190 223 THR 191 224 LEU 192 225 LYS 193 226 PHE 194 227 LYS 195 228 PRO 196 229 THR 197 230 ASP 198 231 THR 199 232 LYS 200 233 PHE 201 234 GLU 202 235 ASP 203 236 SER 204 237 ARG 205 238 HIS 206 239 GLY 207 240 GLN 208 241 GLU 209 242 VAL 210 243 SER 211 244 PHE 212 245 GLU 213 246 SER 214 247 VAL 215 248 LYS 216 249 GLU 217 250 ILE 218 251 ASN 219 252 PRO 220 253 ASP 221 254 ILE 222 255 LEU 223 256 PHE 224 257 VAL 225 258 ILE 226 259 ASN 227 260 ARG 228 261 THR 229 262 LEU 230 263 ALA 231 264 ILE 232 265 GLY 233 266 GLY 234 267 ASP 235 268 ASN 236 269 SER 237 270 SER 238 271 ASN 239 272 ASP 240 273 GLY 241 274 VAL 242 275 LEU 243 276 GLU 244 277 ASN 245 278 ALA 246 279 LEU 247 280 ILE 248 281 ALA 249 282 GLU 250 283 THR 251 284 PRO 252 285 ALA 253 286 ALA 254 287 LYS 255 288 ASN 256 289 GLY 257 290 LYS 258 291 ILE 259 292 ILE 260 293 GLN 261 294 LEU 262 295 THR 263 296 PRO 264 297 ASP 265 298 LEU 266 299 TRP 267 300 TYR 268 301 LEU 269 302 SER 270 303 GLY 271 304 GLY 272 305 GLY 273 306 LEU 274 307 GLU 275 308 SER 276 309 THR 277 310 LYS 278 311 LEU 279 312 MET 280 313 ILE 281 314 GLU 282 315 ASP 283 316 ILE 284 317 GLN 285 318 LYS 286 319 ALA 287 320 LEU 288 321 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 'Streptococcus pneumoniae' 1313 Bacteria . Streptococcus pneumoniae D39 spd_1652 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pSUMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM [U-15N] D2O 10 % [U-2H] DSS 0.3 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' MES 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 4.0.7 loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE NEO' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_T1/R1_relaxation_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1/R1 relaxation' _Sample_label $sample_1 save_ save_T2/R2_relaxation_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2/R2 relaxation' _Sample_label $sample_1 save_ save_1H-15N_heteronoe_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronoe' _Sample_label $sample_1 save_ save_backbone_relaxation_dispersion_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'backbone relaxation dispersion' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ save_heteronucl_T1_relaxation_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $software_1 $software_2 $software_3 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name PiuA _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 ALA N 1.07549193 0.12756275 2 7 THR N 0.80218825 0.06179646 3 8 GLU N 0.80424835 0.03431989 4 9 ILE N 1.05546078 0.03789684 5 10 THR N 1.07019844 0.0404498 6 11 ILE N 1.14368474 0.04336597 7 12 LYS N 1.06871349 0.04457053 8 13 SER N 1.28257264 0.03393362 9 15 LEU N 1.03558452 0.05791302 10 16 ASP N 1.08376608 0.05990013 11 17 GLU N 1.06587873 0.07366465 12 18 VAL N 1.20004022 0.09513358 13 19 LYS N 1.13063093 0.04382555 14 20 LEU N 1.17006582 0.03308676 15 21 SER N 1.23018313 0.08593456 16 22 LYS N 1.18471007 0.06171866 17 23 VAL N 1.22600637 0.02072778 18 25 GLU N 1.21409502 0.03391391 19 26 LYS N 1.06220697 0.01580259 20 27 ILE N 1.02544946 0.01159265 21 28 VAL N 1.10388354 0.02954819 22 30 PHE N 1.13729478 0.04260061 23 32 LEU N 1.13609166 0.04002591 24 33 GLY N 1.12507196 0.04877898 25 34 ALA N 1.11343911 0.03946487 26 35 ALA N 1.16062781 0.03733686 27 36 ASP N 1.12359187 0.04382046 28 37 THR N 1.1060382 0.02737703 29 39 ARG N 1.15305851 0.05550513 30 40 ALA N 0.98578112 0.02660542 31 41 LEU N 1.10293027 0.03463446 32 42 GLY N 1.27950055 0.03633786 33 43 PHE N 1.21230151 0.0192734 34 44 GLU N 1.09771888 0.03529814 35 45 LYS N 1.03429644 0.01379252 36 47 ILE N 1.08497273 0.00487315 37 48 VAL N 1.04525186 0.03207847 38 49 GLY N 1.08794359 0.02521421 39 50 MET N 1.03751364 0.018247 40 52 THR N 1.14189859 0.06429624 41 53 LYS N 1.05492272 0.06966879 42 54 THR N 1.18116273 0.1008853 43 55 VAL N 1.0673763 0.08945208 44 57 THR N 1.27450624 0.06481348 45 58 TYR N 1.12536078 0.05158493 46 59 LEU N 1.19995833 0.03511071 47 62 LEU N 1.27422243 0.02843907 48 63 VAL N 1.17686776 0.03191872 49 64 GLY N 1.09894834 0.0600355 50 65 THR N 1.15255491 0.06323471 51 66 VAL N 1.26186203 0.03616773 52 67 LYS N 1.12449437 0.01031438 53 68 ASN N 1.09355625 0.05108326 54 69 VAL N 1.14886591 0.0360929 55 70 GLY N 1.09769171 0.0514492 56 71 SER N 1.11957479 0.06113797 57 72 MET N 1.10488006 0.09578439 58 73 LYS N 0.86539529 0.05818792 59 74 GLU N 1.1146731 0.07401067 60 76 ASP N 1.10834573 0.03226094 61 77 LEU N 1.18832872 0.02667437 62 79 ALA N 1.2097458 0.01427581 63 80 ILE N 1.20407767 0.02434413 64 83 LEU N 1.19048444 0.01704745 65 84 GLU N 1.05380939 0.01669097 66 86 ASP N 1.11231333 0.01578905 67 87 LEU N 1.09566002 0.02161156 68 88 ILE N 1.10051769 0.03152631 69 89 ILE N 1.05789363 0.02914426 70 90 ALA N 1.08056457 0.03581159 71 91 SER N 1.12751744 0.06826275 72 93 ARG N 1.1112221 0.13356725 73 94 THR N 1.13918628 0.09146434 74 95 GLN N 1.13746893 0.06554783 75 96 LYS N 1.24921054 0.12761853 76 97 PHE N 1.14697562 0.05975184 77 98 VAL N 1.2662148 0.04307093 78 99 ASP N 1.22529166 0.03817603 79 100 LYS N 1.39700082 0.03592204 80 101 PHE N 1.22896566 0.02687675 81 102 LYS N 1.16881514 0.01653038 82 103 GLU N 1.31040887 0.01617447 83 105 ALA N 1.29382204 0.03839145 84 107 THR N 1.14085797 0.02488613 85 108 VAL N 1.07241648 0.0408065 86 109 LEU N 1.11192154 0.06658667 87 110 PHE N 1.11964618 0.09531617 88 111 GLN N 1.20603068 0.07456203 89 112 ALA N 1.2010671 0.13240513 90 113 SER N 1.01119724 0.09185969 91 114 LYS N 1.12743591 0.13991237 92 116 ASP N 1.07963554 0.10297173 93 117 TYR N 1.18988765 0.09872176 94 118 TRP N 1.13018464 0.0770141 95 119 THR N 1.29495237 0.14424641 96 120 SER N 1.27834002 0.13944648 97 121 THR N 1.33338243 0.11362886 98 122 LYS N 1.22130707 0.06472139 99 123 ALA N 1.24767628 0.05405016 100 124 ASN N 1.2522539 0.05025966 101 125 ILE N 1.19611993 0.05906626 102 126 GLU N 1.18424496 0.03575189 103 127 SER N 1.2782337 0.04337874 104 130 SER N 1.25807457 0.07059538 105 131 ALA N 1.27848673 0.04591814 106 132 PHE N 1.28902087 0.0443178 107 133 GLY N 1.16386647 0.05898486 108 134 GLU N 1.34625251 0.10504214 109 135 THR N 1.29925151 0.17461005 110 137 THR N 1.30608661 0.07568465 111 138 GLN N 1.28967599 0.05640742 112 139 LYS N 1.30957106 0.04478038 113 140 ALA N 1.26006264 0.04534599 114 142 GLU N 1.2268298 0.01563816 115 143 GLU N 1.27959897 0.02351399 116 144 LEU N 1.18929516 0.0566585 117 145 ALA N 1.33948168 0.04656566 118 146 LYS N 1.25129512 0.02636339 119 147 LEU N 1.33075663 0.02651391 120 148 ASP N 1.33451461 0.03203384 121 149 LYS N 1.27659334 0.01328121 122 150 SER N 1.28666896 0.0425318 123 152 GLN N 1.3071676 0.03739439 124 153 GLU N 1.1687679 0.01891842 125 155 ALA N 1.33442691 0.06302318 126 156 THR N 1.25091787 0.07232187 127 157 LYS N 1.27792497 0.04687957 128 159 GLU N 1.28635485 0.06545015 129 160 SER N 1.18096029 0.07476908 130 161 SER N 1.34945275 0.11802168 131 162 ASP N 1.23520992 0.16405214 132 164 LYS N 1.4557119 0.07664157 133 165 ALA N 1.17978108 0.05508259 134 166 LEU N 1.08956053 0.0529709 135 167 ALA N 1.05986502 0.0487904 136 168 ILE N 1.04936984 0.04991873 137 169 LEU N 1.04799507 0.02776647 138 170 LEU N 1.19368931 0.07431286 139 171 ASN N 1.34756168 0.07519286 140 173 GLY N 1.16667652 0.06357028 141 174 LYS N 1.23761669 0.04391961 142 175 MET N 1.27358011 0.04955856 143 176 ALA N 1.16491906 0.04339378 144 177 ALA N 1.13575704 0.04715256 145 179 GLY N 1.16774124 0.09992251 146 180 ALA N 1.08992739 0.07207915 147 181 LYS N 1.21592429 0.09377517 148 185 SER N 1.10021473 0.11442914 149 186 PHE N 1.05818685 0.08343995 150 187 LEU N 1.09508605 0.0735398 151 188 TYR N 1.13266016 0.05905777 152 189 GLN N 1.15328565 0.08107778 153 190 THR N 1.09214273 0.04446902 154 191 LEU N 1.09643549 0.04182134 155 192 LYS N 1.14595768 0.04311174 156 194 LYS N 1.19951434 0.0533208 157 196 THR N 1.18464194 0.09599762 158 197 ASP N 1.20306668 0.09028683 159 198 THR N 1.05792144 0.08195505 160 199 LYS N 1.18604809 0.07290383 161 200 PHE N 1.17360128 0.07326445 162 203 SER N 1.10626872 0.13918245 163 206 GLY N 1.01462051 0.0966696 164 207 GLN N 1.09073913 0.07520863 165 208 GLU N 1.06861801 0.0473525 166 209 VAL N 1.10527456 0.02933843 167 210 SER N 1.17288857 0.07362885 168 211 PHE N 1.0494257 0.04749682 169 212 GLU N 1.08313694 0.05517044 170 213 SER N 1.10006188 0.05931692 171 214 VAL N 1.01858348 0.02274354 172 215 LYS N 1.04316465 0.03191536 173 216 GLU N 1.12781657 0.03291323 174 217 ILE N 1.11288064 0.04721109 175 220 ASP N 1.14567551 0.04758696 176 221 ILE N 1.08961647 0.03275311 177 222 LEU N 1.05086162 0.03094386 178 223 PHE N 1.1176711 0.03941035 179 224 VAL N 1.17790444 0.03588009 180 225 ILE N 1.14097784 0.0348574 181 226 ASN N 1.09788861 0.05436092 182 227 ARG N 1.24172599 0.06706165 183 228 THR N 1.23879584 0.08928886 184 229 LEU N 1.15188624 0.0504669 185 230 ALA N 1.21150482 0.0751261 186 231 ILE N 1.30114433 0.07750979 187 232 GLY N 1.04740194 0.04190988 188 233 GLY N 0.98091279 0.0720325 189 235 ASN N 1.18160589 0.10639587 190 236 SER N 1.13399314 0.11677878 191 237 SER N 1.1917257 0.11900139 192 238 ASN N 1.12732277 0.08265721 193 239 ASP N 1.08532641 0.06769915 194 240 GLY N 1.19475883 0.08120787 195 241 VAL N 1.27527093 0.061554 196 242 LEU N 1.12821748 0.02486388 197 243 GLU N 1.16573802 0.02447761 198 244 ASN N 1.25753611 0.02443396 199 245 ALA N 1.16454087 0.0717211 200 246 LEU N 1.07701631 0.03680547 201 247 ILE N 1.11586762 0.01469478 202 248 ALA N 1.05607599 0.02639608 203 249 GLU N 1.05502519 0.02326022 204 250 THR N 1.09755781 0.01596194 205 252 ALA N 1.08790912 0.03194318 206 253 ALA N 1.06345672 0.01561745 207 255 ASN N 1.09997402 0.03177606 208 256 GLY N 1.12161979 0.0253265 209 257 LYS N 1.33944367 0.02448051 210 258 ILE N 1.07863711 0.02592535 211 259 ILE N 1.12609513 0.02907698 212 260 GLN N 1.09339998 0.04375652 213 261 LEU N 1.19625615 0.04377707 214 262 THR N 1.16365898 0.08842443 215 264 ASP N 1.18608632 0.05163022 216 266 TRP N 1.13378591 0.05566937 217 267 TYR N 1.06012442 0.05628978 218 268 LEU N 1.13423698 0.05805768 219 269 SER N 1.36248918 0.07450776 220 270 GLY N 1.18881004 0.04670505 221 271 GLY N 1.17931723 0.05769944 222 272 GLY N 1.24729288 0.04369471 223 273 LEU N 1.2448922 0.04801021 224 274 GLU N 1.17049587 0.0441787 225 275 SER N 1.276205 0.04474739 226 277 LYS N 1.27447013 0.03584769 227 279 MET N 1.36319691 0.0719683 228 280 ILE N 1.35357508 0.04555127 229 282 ASP N 1.26919289 0.04219288 230 283 ILE N 1.22676451 0.02162713 231 284 GLN N 1.10188374 0.02157318 232 286 ALA N 1.21311254 0.0438186 233 287 LEU N 1.08337358 0.02313361 234 288 LYS N 1.00185205 0.02408732 stop_ save_ save_heteronucl_T2_relaxation_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $software_1 $software_2 $software_3 stop_ loop_ _Sample_label $sample_1 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name PiuA _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 5 ALA N 0.37035727 0.0192681 1.542142222 0.968925071 2 7 THR N 0.25482522 0.00758899 9.71333E-09 0.598915288 3 8 GLU N 0.17814868 0.00298425 0.392911546 0.558134748 4 9 ILE N 0.0755903 0.00113138 2.328326032 0.769347999 5 10 THR N 0.06711016 0.00041615 1.27232E-08 0.519304877 6 11 ILE N 0.05844191 0.00122954 0.668095728 0.604891789 7 12 LYS N 0.0584763 0.00078057 3.5841101 1.838747673 8 13 SER N 0.04673571 0.00059916 0.220307087 0.637613082 9 15 LEU N 0.05776575 0.0005147 0.878185891 0.891703928 10 17 GLU N 0.06270603 0.00145157 2.699086141 0.72096266 11 18 VAL N 0.05529902 0.00136824 0.724692639 0.885412145 12 19 LYS N 0.06561419 0.00116376 2.908616221 0.931372169 13 20 LEU N 0.06719964 0.00082649 . . 14 21 SER N 0.06538666 0.00069721 1.762550308 0.66505052 15 22 LYS N 0.05650302 0.00044292 0.64983747 0.270698261 16 23 VAL N 0.08347396 0.00228184 0.36519729 0.738267562 17 25 GLU N 0.05982297 0.00164638 6.473846545 1.443996199 18 26 LYS N 0.06276436 0.00077032 1.461309477 1.09117642 19 27 ILE N 0.0600783 0.00106658 4.40615E-08 0.476616535 20 28 VAL N 0.05670624 0.00122967 2.106075082 1.285963063 21 30 PHE N 0.05564173 0.00109581 . . 22 31 ASP N . 0.056299376 0.80172411 . 23 32 LEU N 0.05127817 0.00106401 2.713094544 1.716023936 24 33 GLY N 0.06005306 0.00097441 4.09611187 2.200726813 25 34 ALA N 0.05504861 0.00071243 0.489282565 0.398073477 26 35 ALA N 0.05312796 0.00073965 1.177073143 0.339257151 27 36 ASP N 0.04921823 0.00043784 0.960474197 0.722191742 28 37 THR N 0.05677122 0.00096115 3.935294719 1.01320296 29 39 ARG N 0.05069799 0.00078507 0.46549275 0.260348467 30 40 ALA N 0.05481097 0.00045224 4.013068007 1.345000099 31 41 LEU N 0.05808821 0.0011451 1.125667142 0.51420496 32 42 GLY N 0.04988758 0.00194755 1.59861E-15 6.127276093 33 43 PHE N 0.05109899 0.00052799 3.3933E-08 0.307812618 34 44 GLU N 0.05606706 0.00111962 1.10264E-11 0.607995913 35 45 LYS N 0.05524134 0.00035114 1.91474E-14 0.411666448 36 47 ILE N 0.05576251 0.00089852 3.00569E-09 0.609126723 37 48 VAL N 0.05784094 0.00135919 0.473597412 0.602060186 38 49 GLY N 0.05575585 0.00179991 0.339453233 1.578855112 39 50 MET N 0.05848162 0.00136306 0.94718286 0.821012775 40 52 THR N 0.06421865 0.00095211 1.860585775 0.903321237 41 53 LYS N 0.06024444 0.0007627 0.062247203 0.576103019 42 54 THR N 0.06117172 0.00097674 2.253360063 1.225317695 43 55 VAL N 0.08033778 0.00131585 1.217665488 0.61353155 44 57 THR N 0.0495224 0.00069516 2.167282569 0.568405889 45 58 TYR N 0.04956108 0.00074961 4.36868E-09 0.650981913 46 59 LEU N 0.04872865 0.00059343 1.362737912 0.681799116 47 62 LEU N 0.05067119 0.00042311 0.376304052 0.614235723 48 63 VAL N 0.05246494 0.00057137 0.970613215 0.723492653 49 64 GLY N 0.06537215 0.00201349 4.367682198 4.666076843 50 65 THR N 0.06010778 0.00072871 1.235652827 1.650200698 51 66 VAL N 0.06490434 0.00179905 0.799137994 0.60492008 52 67 LYS N 0.05839956 0.00094245 0.07736791 0.484111918 53 68 ASN N 0.06234005 0.00041832 0.723953889 0.320747329 54 69 VAL N 0.06133022 0.00103604 0.908015329 0.376139468 55 70 GLY N 0.05968735 0.00080931 1.84969784 1.094053843 56 71 SER N 0.06377664 0.0009498 0.730275531 0.682616779 57 72 MET N 0.05826844 0.00208818 2.099065619 0.680847682 58 73 LYS N 0.0687611 0.00137999 1.400650054 0.839843157 59 74 GLU N 0.06459715 0.00066605 1.070004942 0.702966394 60 76 ASP N 0.06094051 0.00093802 1.261005254 0.569551402 61 77 LEU N 0.05456888 0.00091711 1.702451437 0.372662647 62 79 ALA N 0.04721349 0.00082277 0.020533184 0.461847243 63 80 ILE N 0.05424477 0.00123529 1.250948251 0.387653014 64 83 LEU N 0.05514992 0.00100502 0.195761599 0.442858506 65 84 GLU N 0.05818802 0.00177451 1.200775758 0.783832064 66 86 ASP N 0.05561706 0.00122788 1.560606464 0.643132236 67 87 LEU N 0.05766556 0.00056392 0.505161326 0.336764784 68 88 ILE N 0.05910129 0.00043997 3.482197219 1.103682692 69 89 ILE N 0.06118671 0.00070884 4.318570847 1.389426596 70 90 ALA N 0.05844343 0.00090234 1.657642664 0.94371795 71 91 SER N 0.06264782 0.00102673 1.979424172 1.030606637 72 93 ARG N 0.06121839 0.00283124 1.653658381 1.074494905 73 94 THR N 0.05707045 0.00115174 7.707385504 3.38266301 74 95 GLN N 0.04898519 0.0008176 1.071063007 0.416221478 75 96 LYS N 0.0503294 0.00103359 1.167829455 0.452338516 76 97 PHE N 0.05465652 0.00063946 1.619631792 0.7564511 77 98 VAL N 0.04564502 0.00028523 0.006478103 0.413827632 78 99 ASP N 0.04979584 0.00066995 0.426871977 0.715836664 79 100 LYS N 0.05191087 0.00077028 8.58302E-14 0.776366883 80 101 PHE N 0.05041406 0.00050651 9.58846E-10 0.4425971 81 102 LYS N 0.04842009 0.00082311 1.468117129 0.459793567 82 103 GLU N 0.04813527 0.00081949 1.528271324 0.450448274 83 105 ALA N 0.05455298 0.00071219 0.825343845 0.741047365 84 107 THR N 0.05964378 0.00059115 1.320016745 0.521915184 85 108 VAL N 0.05220098 0.00083358 2.293964841 0.57125884 86 109 LEU N 0.05104218 0.00069317 0.618249678 0.423679532 87 110 PHE N 0.05667774 0.00118113 1.00467E-15 2.986822235 88 111 GLN N 0.06005153 0.00138249 1.50633E-09 0.872361469 89 112 ALA N 0.0678783 0.00212769 5.142793855 1.726081835 90 113 SER N 0.0730353 0.00107908 0.859101565 0.217057068 91 114 LYS N 0.06642897 0.0026573 0.475838039 0.781153225 92 116 ASP N 0.07026799 0.00142205 0.689771398 0.282275855 93 117 TYR N 0.04969495 0.00061342 2.531562594 0.526319979 94 118 TRP N 0.04698148 0.00116802 0.026222397 0.829657893 95 119 THR N 0.05243486 0.00088304 1.18472357 0.292570821 96 120 SER N 0.04507747 0.00170764 2.722849579 0.700598244 97 121 THR N 0.0476681 0.00088756 1.125513537 0.637828348 98 122 LYS N 0.04603921 0.00071801 0.012364311 0.561502268 99 123 ALA N 0.04920369 0.00077396 0.392948174 0.437106595 100 124 ASN N 0.04614086 0.00033908 7.29952E-13 0.546693903 101 125 ILE N 0.05013002 0.00095852 1.526534801 0.279092835 102 126 GLU N 0.04641402 0.00034565 0.607681612 0.403974939 103 127 SER N 0.0470213 0.000426 1.070083376 0.315105878 104 130 SER N 0.05345731 0.00049794 1.512638514 1.210114616 105 131 ALA N 0.04455467 0.00094118 2.763305079 1.199907723 106 132 PHE N 0.05197471 0.00080676 1.826956983 2.051461101 107 133 GLY N 0.05614267 0.00100602 3.091283158 2.424108312 108 134 GLU N 0.04914157 0.00052868 0.872024183 0.464296571 109 135 THR N 0.05057205 0.00211018 2.948290841 0.638245046 110 137 THR N 0.04706349 0.00050626 6.52212E-12 0.38125712 111 138 GLN N 0.04756442 0.00058064 7.65424E-16 0.442259916 112 139 LYS N 0.04744901 0.00031732 4.52099E-11 0.451588934 113 140 ALA N 0.04667593 0.0004217 3.64477E-13 0.580946115 114 141 LYS N . 1.306014832 0.418124041 . 115 142 GLU N 0.04816223 0.00025375 0.15728223 0.642710525 116 143 GLU N 0.04804788 0.00056805 1.024628896 0.671144963 117 144 LEU N 0.05779672 0.00075807 0.399218508 0.599567085 118 145 ALA N 0.04721473 0.00106272 9.50973E-13 0.507435567 119 146 LYS N 0.04859005 0.00041319 0.551224498 0.254409809 120 147 LEU N 0.04590753 0.0007571 1.550740354 0.67689864 121 148 ASP N 0.0453333 0.00060366 0.394195021 0.256374842 122 149 LYS N 0.05043349 0.0010531 2.41786E-16 0.504723461 123 150 SER N 0.04801447 0.00025177 1.51827E-09 0.552194484 124 152 GLN N 0.04643546 0.00054255 1.14876E-12 0.474117197 125 153 GLU N 0.04745709 0.00072833 0.318246677 0.256055941 126 155 ALA N 0.04621118 0.00051518 2.85528E-09 0.743961634 127 156 THR N 0.05482315 0.00061569 2.998535009 1.142375477 128 157 LYS N 0.05066971 0.00036828 0.470989651 0.508625465 129 159 GLU N 0.05256757 0.00085349 0.237469445 0.514574032 130 160 SER N 0.06791928 0.00131657 2.137511156 1.0704076 131 161 SER N 0.057716 0.00063479 1.619660619 0.549212931 132 162 ASP N 0.06796169 0.00192222 2.687029905 0.638576616 133 164 LYS N 0.05168062 0.00070507 2.519526357 0.572614999 134 165 ALA N 0.05717845 0.00048425 2.270767346 0.957087178 135 166 LEU N 0.05772355 0.0009116 0.526084642 1.097375779 136 167 ALA N 0.06217973 0.00163517 5.110852952 2.648650607 137 168 ILE N 0.06200875 0.00065714 0.654956995 0.554511014 138 169 LEU N 0.05976164 0.0009318 2.848951796 0.819987438 139 170 LEU N 0.05531506 0.0009806 1.516459719 0.758680251 140 171 ASN N 0.05198499 0.00072917 3.16328E-11 0.460767664 141 173 GLY N 0.05628169 0.00283772 5.985744173 2.291175399 142 174 LYS N 0.04919017 0.00027925 4.88803E-11 0.294163665 143 175 MET N 0.05498103 0.00039775 0.819246655 0.649492492 144 176 ALA N 0.06060589 0.00064373 2.39261219 0.860012068 145 177 ALA N 0.05567843 0.00177419 3.231612166 1.205089201 146 179 GLY N 0.05992874 0.00160767 2.009002129 1.134783652 147 180 ALA N 0.05120638 0.0003867 0.046871771 0.557925932 148 181 LYS N 0.05724277 0.00099553 0.597796119 0.321143223 149 185 SER N 0.05649871 0.00084287 1.529579881 0.579187467 150 186 PHE N 0.05107505 0.00145292 2.67646456 0.479963456 151 187 LEU N 0.04741341 0.00078467 3.893246923 0.799648976 152 188 TYR N 0.05932871 0.00100359 2.191904031 0.701144587 153 189 GLN N 0.05955913 0.00127929 0.040260056 0.829606441 154 190 THR N 0.06785117 0.00071468 1.266578442 0.700749237 155 191 LEU N 0.05960371 0.00058465 1.302085268 0.592076521 156 192 LYS N 0.05293071 0.0011711 3.468821655 1.512235341 157 194 LYS N 0.06037883 0.00093205 1.660393319 0.945573866 158 196 THR N 0.05416649 0.00083677 4.524122212 3.256669245 159 197 ASP N 0.05276581 0.00107618 1.676083002 0.50882069 160 198 THR N 0.08209648 0.00121878 0.366696732 0.345145276 161 199 LYS N 0.06981755 0.00112985 2.392023854 0.9682149 162 200 PHE N 0.07008853 0.00055718 0.577078729 0.737444545 163 203 SER N 0.08236064 0.00226402 0.189130207 0.596522053 164 206 GLY N 0.06053929 0.00078193 4.211667705 2.631478567 165 207 GLN N 0.06089817 0.00067738 1.40402E-11 0.203329913 166 208 GLU N 0.05876666 0.00122028 2.42701041 1.987193211 167 209 VAL N 0.05263241 0.00088915 1.375105284 0.393046448 168 210 SER N 0.06222737 0.00041905 0.569943066 0.366970499 169 211 PHE N 0.05832244 0.00064795 0.192956691 0.662404204 170 212 GLU N 0.05896243 0.00045705 0.220592057 0.33418127 171 213 SER N 0.0575467 0.0011743 4.52422E-08 0.517814522 172 214 VAL N 0.05480248 0.0009577 1.66087E-08 0.55055747 173 215 LYS N 0.05181288 0.00065846 1.011887304 0.511311097 174 216 GLU N 0.05603478 0.00078615 0.50237931 0.522954318 175 217 ILE N 0.05749523 0.00056247 0.039348968 0.471219523 176 220 ASP N 0.05449052 0.00086361 0.724934131 0.605029922 177 221 ILE N 0.06064125 0.00078982 1.172344145 0.249598476 178 222 LEU N 0.05621417 0.00068144 1.885885424 1.924027032 179 223 PHE N 0.06184769 0.00089738 1.201339639 0.754069517 180 224 VAL N 0.05619424 0.00054202 . . 181 225 ILE N 0.05924764 0.00064926 4.408990995 0.965556145 182 226 ASN N 0.05996893 0.00102662 4.559336396 1.708586771 183 227 ARG N 0.05232429 0.00060487 4.130089361 1.504955282 184 228 THR N 0.05170635 0.00030794 0.549247469 0.268520611 185 229 LEU N 0.05096693 0.00071698 0.314936578 0.422695141 186 230 ALA N 0.05244951 0.00114945 1.39957E-12 0.640655153 187 231 ILE N 0.0456082 0.00093841 5.65846E-18 4.454688982 188 232 GLY N 0.06486984 0.00090145 3.626813921 1.482177534 189 233 GLY N 0.0691615 0.00116489 3.380151349 1.818728887 190 235 ASN N 0.06261765 0.00106806 2.651991042 1.396218065 191 236 SER N 0.05394728 0.00101603 0.635259082 0.410953181 192 237 SER N 0.05406966 0.00098606 2.069441733 0.826940213 193 238 ASN N 0.06433308 0.00144146 0.271957812 0.33915174 194 239 ASP N 0.05930941 0.00243269 1.14408979 0.743548788 195 240 GLY N 0.06907138 0.00170845 2.497558236 0.916274927 196 241 VAL N 0.0526946 0.00064023 2.1796E-13 0.607623366 197 242 LEU N 0.05649674 0.00084731 1.830630557 0.672576025 198 243 GLU N 0.06089456 0.00076804 1.094251857 0.457586993 199 244 ASN N 0.05166075 0.00040368 1.24395E-10 0.378813532 200 245 ALA N 0.05863365 0.00105863 2.336788289 1.035985704 201 246 LEU N 0.05785319 0.00056869 0.794303861 0.523069314 202 247 ILE N 0.06274469 0.00078957 5.41014E-10 0.628421545 203 248 ALA N 0.05595511 0.00086336 7.65279E-07 0.312518344 204 249 GLU N 0.06133439 0.00127571 0.361822441 0.543354741 205 250 THR N 0.06229072 0.00064033 2.462905987 0.983961951 206 252 ALA N 0.05890305 0.00038363 0.332046242 0.46475338 207 253 ALA N 0.05720657 0.00044985 0.719172714 0.379858845 208 255 ASN N 0.0644409 0.00104924 1.346855389 1.092072369 209 256 GLY N 0.05235702 0.00148325 1.105590564 1.509674717 210 257 LYS N 0.05144187 0.00039716 0.165013146 0.478347564 211 258 ILE N 0.05875485 0.00063438 1.31197E-13 0.535061508 212 259 ILE N 0.06123179 0.00066062 8.155422983 2.986372814 213 260 GLN N 0.06489603 0.00082374 3.059857322 1.812469949 214 261 LEU N 0.06066259 0.00135781 2.940993378 1.273805527 215 262 THR N 0.0594097 0.00178182 1.47225967 0.588421491 216 264 ASP N 0.06089007 0.00056736 1.209043927 0.303098833 217 266 TRP N 0.0509594 0.0028397 2.67491932 0.882384025 218 267 TYR N 0.05606978 0.00072934 0.50596383 0.459971163 219 268 LEU N 0.05584945 0.00077883 0.416415088 1.0851672 220 269 SER N 0.04803846 0.00220635 1.564854097 0.834411767 221 270 GLY N 0.05582409 0.00121714 4.667657879 2.336534382 222 271 GLY N 0.05218743 0.00107361 5.531436099 2.57306844 223 272 GLY N 0.04746209 0.00052248 3.366918017 5.381683031 224 273 LEU N 0.04671319 0.00069762 0.08304002 0.584226262 225 274 GLU N 0.05116866 0.0004708 2.22645E-08 0.417987631 226 275 SER N 0.04884218 0.00085097 1.825882673 0.767301228 227 277 LYS N 0.04568184 0.00051572 0.306103197 0.398248803 228 278 LEU N . 0.604069499 0.457415548 . 229 279 MET N 0.04696441 0.00079219 0.51958767 0.709142842 230 280 ILE N 0.04440576 0.00039631 0.646795292 0.483722911 231 282 ASP N 0.04650814 0.00051202 0.660916442 0.360235601 232 283 ILE N 0.04534933 0.00063347 5.392264245 1.532873966 233 284 GLN N 0.05020117 0.00104271 1.04788911 0.433824073 234 286 ALA N 0.05001535 0.00042721 1.232243497 0.534259681 235 287 LEU N 0.06281792 0.00091007 0.872430591 0.392085449 236 288 LYS N 0.11352451 0.00081569 1.173894392 0.953174904 stop_ save_ save_heteronucl_NOEs_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $software_1 $software_2 $software_3 stop_ loop_ _Experiment_label '1H-15N heteronoe' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name PiuA _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 5 ALA -2.771731 -0.041591 7 THR -0.193844 -0.004638 8 GLU 0.091330 0.003439 9 ILE 0.439431 0.00722 10 THR 0.662659 0.007117 11 ILE 0.708055 0.010378 12 LYS 0.843805 0.013243 13 SER 0.842842 0.009592 15 LEU 0.860913 0.012155 16 ASP 0.763869 0.007876 17 GLU 0.862907 0.009985 18 VAL 0.776783 0.011768 19 LYS 0.818207 0.009919 20 LEU 0.741840 0.00897 21 SER 0.749646 0.014384 22 LYS 0.679448 0.005575 23 VAL 0.655068 0.006627 25 GLU 0.757680 0.014571 26 LYS 0.896528 0.013936 27 ILE 0.861481 0.011952 28 VAL 0.795524 0.011329 30 PHE 0.825660 0.018837 32 LEU 0.835599 0.017417 33 GLY 0.801648 0.00939 34 ALA 0.824841 0.009867 35 ALA 0.827616 0.007488 36 ASP 0.859951 0.009793 37 THR 0.911930 0.009234 39 ARG 0.816190 0.009483 40 ALA 0.852431 0.00839 41 LEU 0.824085 0.010757 42 GLY 0.864620 0.010494 43 PHE 0.866904 0.010858 44 GLU 0.869982 0.008499 45 LYS 0.849979 0.008678 47 ILE 0.846974 0.008266 48 VAL 0.865202 0.014309 49 GLY 0.909128 0.010225 50 MET 0.873908 0.012025 52 THR 0.757010 0.011266 53 LYS 0.744338 0.011428 54 THR 0.748225 0.013227 55 VAL 0.567633 0.01033 57 THR 0.838384 0.009761 58 TYR 0.820945 0.013105 59 LEU 0.858252 0.011795 62 LEU 0.755304 0.008521 63 VAL 0.777646 0.008301 64 GLY 0.795381 0.007716 65 THR 0.657755 0.007828 66 VAL 0.642829 0.007851 67 LYS 0.766582 0.013671 68 ASN 0.771244 0.0102 69 VAL 0.733257 0.014062 70 GLY 0.842483 0.008024 71 SER 0.780255 0.008976 72 MET 0.787844 0.016954 73 LYS 0.751691 0.011246 74 GLU 0.786151 0.009988 76 ASP 0.826748 0.01368 77 LEU 0.847922 0.010838 79 ALA 0.879346 0.00865 80 ILE 0.789820 0.009721 83 LEU 0.848481 0.009883 84 GLU 0.834180 0.010414 86 ASP 0.882620 0.01527 87 LEU 0.875380 0.009169 88 ILE 0.895014 0.010758 89 ILE 0.825666 0.012229 90 ALA 0.859510 0.012265 91 SER 0.805818 0.012514 93 ARG 0.805885 0.037909 94 THR 0.790319 0.012185 95 GLN 0.835376 0.009378 96 LYS 0.864429 0.019713 97 PHE 0.827522 0.01268 98 VAL 0.852690 0.00995 99 ASP 0.811121 0.00828 100 LYS 0.805297 0.010616 101 PHE 0.795830 0.011019 102 LYS 0.810591 0.012093 103 GLU 0.769909 0.008819 105 ALA 0.787003 0.007461 107 THR 0.810978 0.012071 108 VAL 0.795399 0.01145 109 LEU 0.877216 0.016716 110 PHE 0.802972 0.018709 111 GLN 0.750643 0.01091 112 ALA 0.664273 0.014752 113 SER 0.747996 0.011983 114 LYS 0.660044 0.028134 116 ASP 0.667185 0.006753 117 TYR 0.842165 0.011825 118 TRP 0.891205 0.015946 119 THR 0.888621 0.008585 120 SER 0.953339 0.012526 121 THR 0.873186 0.011677 122 LYS 0.860243 0.010461 123 ALA 0.886934 0.008219 124 ASN 0.839693 0.008416 125 ILE 0.890677 0.009327 126 GLU 0.843841 0.009651 127 SER 0.859850 0.00815 130 SER 0.833759 0.010605 131 ALA 0.822582 0.00832 132 PHE 0.819370 0.010191 133 GLY 0.833347 0.007043 134 GLU 0.840510 0.01186 135 THR 0.926444 0.029765 137 THR 0.834608 0.006868 138 GLN 0.823987 0.007977 139 LYS 0.839013 0.008984 140 ALA 0.842339 0.007668 142 GLU 0.828773 0.007469 143 GLU 0.822586 0.011828 144 LEU 0.764486 0.009779 145 ALA 0.834707 0.008909 146 LYS 0.847014 0.010175 147 LEU 0.823282 0.013102 148 ASP 0.863128 0.0091 149 LYS 0.864353 0.010308 150 SER 0.824522 0.008707 152 GLN 0.837772 0.00966 153 GLU 0.858309 0.009948 155 ALA 0.824385 0.008597 156 THR 0.789019 0.008116 157 LYS 0.802599 0.008878 159 GLU 0.805505 0.007083 160 SER 0.619037 0.009041 161 SER 0.675745 0.006725 162 ASP 0.768923 0.029177 164 LYS 0.771863 0.014034 165 ALA 0.857804 0.012918 166 LEU 0.778297 0.014068 167 ALA 0.808077 0.014865 168 ILE 0.916089 0.012319 169 LEU 0.792861 0.014559 170 LEU 0.818640 0.01474 171 ASN 0.816462 0.009611 173 GLY 0.818223 0.009782 174 LYS 0.775818 0.009489 175 MET 0.817699 0.012628 176 ALA 0.841661 0.013204 177 ALA 0.807568 0.011621 179 GLY 0.813375 0.011058 180 ALA 0.812398 0.012427 181 LYS 0.736471 0.012288 185 SER 0.886478 0.009269 186 PHE 0.910763 0.019779 187 LEU 0.812516 0.015192 188 TYR 0.840320 0.015154 189 GLN 0.754507 0.013161 190 THR 0.789333 0.011021 191 LEU 0.926650 0.016616 192 LYS 0.895889 0.014952 194 LYS 0.785298 0.012437 196 THR 0.824531 0.013595 197 ASP 0.868896 0.015734 198 THR 0.553859 0.007682 199 LYS 0.525360 0.010383 200 PHE 0.565363 0.009618 203 SER 0.628500 0.021637 206 GLY 0.714160 0.010529 207 GLN 0.785953 0.01007 208 GLU 0.818214 0.008828 209 VAL 0.787479 0.009816 210 SER 0.794568 0.011456 211 PHE 0.897933 0.012948 212 GLU 0.833623 0.009066 213 SER 0.895179 0.008672 214 VAL 0.900077 0.009152 215 LYS 0.845474 0.010175 216 GLU 0.816860 0.006657 217 ILE 0.812639 0.012629 220 ASP 0.849170 0.012401 221 ILE 0.893791 0.012031 222 LEU 0.829775 0.009269 223 PHE 0.835155 0.013859 224 VAL 0.901684 0.009151 225 ILE 0.871443 0.014105 226 ASN 0.812267 0.013675 227 ARG 0.865765 0.016579 228 THR 0.831238 0.011462 229 LEU 0.862783 0.012023 230 ALA 0.803205 0.011443 231 ILE 0.806273 0.013334 232 GLY 0.811594 0.009073 233 GLY 0.515016 0.008054 235 ASN 0.732187 0.0184 236 SER 0.845048 0.01017 237 SER 0.743198 0.012767 238 ASN 0.755070 0.010455 239 ASP 0.752390 0.006696 240 GLY 0.713102 0.013097 241 VAL 0.724956 0.006441 242 LEU 0.726948 0.011114 243 GLU 0.758787 0.009775 244 ASN 0.708516 0.006548 245 ALA 0.851052 0.013217 246 LEU 0.851692 0.009549 247 ILE 0.760065 0.01097 248 ALA 0.842523 0.008039 249 GLU 0.771801 0.00933 250 THR 0.840081 0.009129 252 ALA 0.786364 0.008673 253 ALA 0.843437 0.00753 255 ASN 0.834499 0.008463 256 GLY 0.867468 0.007387 257 LYS 0.826628 0.011021 258 ILE 0.870388 0.008137 259 ILE 0.890405 0.011004 260 GLN 0.888408 0.012276 261 LEU 0.785864 0.016038 262 THR 0.804753 0.0161 264 ASP 0.860167 0.011507 266 TRP 0.873264 0.017074 267 TYR 0.883919 0.011618 268 LEU 0.889491 0.016567 269 SER 0.782009 0.008269 270 GLY 0.807689 0.010207 271 GLY 0.885658 0.013304 272 GLY 0.897238 0.010805 273 LEU 0.898117 0.016144 274 GLU 0.861709 0.013131 275 SER 0.878772 0.016243 277 LYS 0.847808 0.010818 279 MET 0.889562 0.013677 280 ILE 0.857422 0.012852 282 ASP 0.803779 0.009731 283 ILE 0.784508 0.014731 284 GLN 0.816249 0.011757 286 ALA 0.747366 0.007851 287 LEU 0.627729 0.008323 288 LYS 0.210258 0.004034 stop_ save_