data_26804 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; POTRA1-5 backbone amide chemical shift assignments ; _BMRB_accession_number 26804 _BMRB_flat_file_name bmr26804.str _Entry_type original _Submission_date 2016-05-21 _Accession_date 2016-05-21 _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 Warner Lisa . . 2 Gatzeva-Topolova Petia . . 3 Doerner Pamela . . 4 Pardi Arthur . . 5 Sousa Marcelo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T1rho_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 319 "15N chemical shifts" 319 "T1 relaxation values" 253 "T1rho relaxation values" 250 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-23 original BMRB . stop_ _Original_release_date 2016-05-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Flexibility in the Periplasmic Domain of BamA Is Important for Function ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27989620 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Warner Lisa . . 2 Gatzeva-Topolova Petia . . 3 Doerner Pamela . . 4 Pardi Arthur . . 5 Sousa Marcelo . . stop_ _Journal_abbreviation Structure _Journal_volume 25 _Journal_issue 1 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 94 _Page_last 106 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name POTRA1-5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label POTRA1-5 $BamA_POTRA1-5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BamA_POTRA1-5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BamA_POTRA1-5 _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 409 _Mol_residue_sequence ; GAMAEGFVVKDIHFEGLQRV AVGAALLSMPVRTGDTVNDE DISNTIRALFATGNFEDVRV LRDGDTLLVQVKERPTIASI TFSGNKSVKDDMLKQNLEAS GVRVGESLDRTTIADIEKGL EDFYYSVGKYSASVKAVVTP LPRNRVDLKLVFQEGVSAEI QQINIVGNHAFTTDELISHF QLRDEVPWWNVVGDRKYQKQ KLAGDLETLRSYYLDRGYAR FNIDSTQVSLTPDKKGIYVT VNITEGDQYKLSGVEVSGNL AGHSAEIEQLTKIEPGELYN GTKVTKMEDDIKKLLGRYGY AYPRVQSMPEINDADKTVKL RVNVDAGNRFYVRKIRFEGN DTSKDAVLRREMRQMEGAWL GSDLVDQGKERLNRLGFFET VDTDTQRVPGSPDQVDVVYK VKERNTGPG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 18 GLY 2 19 ALA 3 20 MET 4 21 ALA 5 22 GLU 6 23 GLY 7 24 PHE 8 25 VAL 9 26 VAL 10 27 LYS 11 28 ASP 12 29 ILE 13 30 HIS 14 31 PHE 15 32 GLU 16 33 GLY 17 34 LEU 18 35 GLN 19 36 ARG 20 37 VAL 21 38 ALA 22 39 VAL 23 40 GLY 24 41 ALA 25 42 ALA 26 43 LEU 27 44 LEU 28 45 SER 29 46 MET 30 47 PRO 31 48 VAL 32 49 ARG 33 50 THR 34 51 GLY 35 52 ASP 36 53 THR 37 54 VAL 38 55 ASN 39 56 ASP 40 57 GLU 41 58 ASP 42 59 ILE 43 60 SER 44 61 ASN 45 62 THR 46 63 ILE 47 64 ARG 48 65 ALA 49 66 LEU 50 67 PHE 51 68 ALA 52 69 THR 53 70 GLY 54 71 ASN 55 72 PHE 56 73 GLU 57 74 ASP 58 75 VAL 59 76 ARG 60 77 VAL 61 78 LEU 62 79 ARG 63 80 ASP 64 81 GLY 65 82 ASP 66 83 THR 67 84 LEU 68 85 LEU 69 86 VAL 70 87 GLN 71 88 VAL 72 89 LYS 73 90 GLU 74 91 ARG 75 92 PRO 76 93 THR 77 94 ILE 78 95 ALA 79 96 SER 80 97 ILE 81 98 THR 82 99 PHE 83 100 SER 84 101 GLY 85 102 ASN 86 103 LYS 87 104 SER 88 105 VAL 89 106 LYS 90 107 ASP 91 108 ASP 92 109 MET 93 110 LEU 94 111 LYS 95 112 GLN 96 113 ASN 97 114 LEU 98 115 GLU 99 116 ALA 100 117 SER 101 118 GLY 102 119 VAL 103 120 ARG 104 121 VAL 105 122 GLY 106 123 GLU 107 124 SER 108 125 LEU 109 126 ASP 110 127 ARG 111 128 THR 112 129 THR 113 130 ILE 114 131 ALA 115 132 ASP 116 133 ILE 117 134 GLU 118 135 LYS 119 136 GLY 120 137 LEU 121 138 GLU 122 139 ASP 123 140 PHE 124 141 TYR 125 142 TYR 126 143 SER 127 144 VAL 128 145 GLY 129 146 LYS 130 147 TYR 131 148 SER 132 149 ALA 133 150 SER 134 151 VAL 135 152 LYS 136 153 ALA 137 154 VAL 138 155 VAL 139 156 THR 140 157 PRO 141 158 LEU 142 159 PRO 143 160 ARG 144 161 ASN 145 162 ARG 146 163 VAL 147 164 ASP 148 165 LEU 149 166 LYS 150 167 LEU 151 168 VAL 152 169 PHE 153 170 GLN 154 171 GLU 155 172 GLY 156 173 VAL 157 174 SER 158 175 ALA 159 176 GLU 160 177 ILE 161 178 GLN 162 179 GLN 163 180 ILE 164 181 ASN 165 182 ILE 166 183 VAL 167 184 GLY 168 185 ASN 169 186 HIS 170 187 ALA 171 188 PHE 172 189 THR 173 190 THR 174 191 ASP 175 192 GLU 176 193 LEU 177 194 ILE 178 195 SER 179 196 HIS 180 197 PHE 181 198 GLN 182 199 LEU 183 200 ARG 184 201 ASP 185 202 GLU 186 203 VAL 187 204 PRO 188 205 TRP 189 206 TRP 190 207 ASN 191 208 VAL 192 209 VAL 193 210 GLY 194 211 ASP 195 212 ARG 196 213 LYS 197 214 TYR 198 215 GLN 199 216 LYS 200 217 GLN 201 218 LYS 202 219 LEU 203 220 ALA 204 221 GLY 205 222 ASP 206 223 LEU 207 224 GLU 208 225 THR 209 226 LEU 210 227 ARG 211 228 SER 212 229 TYR 213 230 TYR 214 231 LEU 215 232 ASP 216 233 ARG 217 234 GLY 218 235 TYR 219 236 ALA 220 237 ARG 221 238 PHE 222 239 ASN 223 240 ILE 224 241 ASP 225 242 SER 226 243 THR 227 244 GLN 228 245 VAL 229 246 SER 230 247 LEU 231 248 THR 232 249 PRO 233 250 ASP 234 251 LYS 235 252 LYS 236 253 GLY 237 254 ILE 238 255 TYR 239 256 VAL 240 257 THR 241 258 VAL 242 259 ASN 243 260 ILE 244 261 THR 245 262 GLU 246 263 GLY 247 264 ASP 248 265 GLN 249 266 TYR 250 267 LYS 251 268 LEU 252 269 SER 253 270 GLY 254 271 VAL 255 272 GLU 256 273 VAL 257 274 SER 258 275 GLY 259 276 ASN 260 277 LEU 261 278 ALA 262 279 GLY 263 280 HIS 264 281 SER 265 282 ALA 266 283 GLU 267 284 ILE 268 285 GLU 269 286 GLN 270 287 LEU 271 288 THR 272 289 LYS 273 290 ILE 274 291 GLU 275 292 PRO 276 293 GLY 277 294 GLU 278 295 LEU 279 296 TYR 280 297 ASN 281 298 GLY 282 299 THR 283 300 LYS 284 301 VAL 285 302 THR 286 303 LYS 287 304 MET 288 305 GLU 289 306 ASP 290 307 ASP 291 308 ILE 292 309 LYS 293 310 LYS 294 311 LEU 295 312 LEU 296 313 GLY 297 314 ARG 298 315 TYR 299 316 GLY 300 317 TYR 301 318 ALA 302 319 TYR 303 320 PRO 304 321 ARG 305 322 VAL 306 323 GLN 307 324 SER 308 325 MET 309 326 PRO 310 327 GLU 311 328 ILE 312 329 ASN 313 330 ASP 314 331 ALA 315 332 ASP 316 333 LYS 317 334 THR 318 335 VAL 319 336 LYS 320 337 LEU 321 338 ARG 322 339 VAL 323 340 ASN 324 341 VAL 325 342 ASP 326 343 ALA 327 344 GLY 328 345 ASN 329 346 ARG 330 347 PHE 331 348 TYR 332 349 VAL 333 350 ARG 334 351 LYS 335 352 ILE 336 353 ARG 337 354 PHE 338 355 GLU 339 356 GLY 340 357 ASN 341 358 ASP 342 359 THR 343 360 SER 344 361 LYS 345 362 ASP 346 363 ALA 347 364 VAL 348 365 LEU 349 366 ARG 350 367 ARG 351 368 GLU 352 369 MET 353 370 ARG 354 371 GLN 355 372 MET 356 373 GLU 357 374 GLY 358 375 ALA 359 376 TRP 360 377 LEU 361 378 GLY 362 379 SER 363 380 ASP 364 381 LEU 365 382 VAL 366 383 ASP 367 384 GLN 368 385 GLY 369 386 LYS 370 387 GLU 371 388 ARG 372 389 LEU 373 390 ASN 374 391 ARG 375 392 LEU 376 393 GLY 377 394 PHE 378 395 PHE 379 396 GLU 380 397 THR 381 398 VAL 382 399 ASP 383 400 THR 384 401 ASP 385 402 THR 386 403 GLN 387 404 ARG 388 405 VAL 389 406 PRO 390 407 GLY 391 408 SER 392 409 PRO 393 410 ASP 394 411 GLN 395 412 VAL 396 413 ASP 397 414 VAL 398 415 VAL 399 416 TYR 400 417 LYS 401 418 VAL 402 419 LYS 403 420 GLU 404 421 ARG 405 422 ASN 406 423 THR 407 424 GLY 408 425 PRO 409 426 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BamA_POTRA1-5 enterobacteria 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $BamA_POTRA1-5 'recombinant technology' . Escherichia coli . pMS675 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 $BamA_POTRA1-5 1 mM '[U-13C; U-15N; U-2H]' D2O 10 % 'natural abundance' MES 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' TSP 0.14 mM 'natural abundance' 'HALT protease inhibitor' 1 tablet/100mL 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP H 1 'methylene protons' ppm 1.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name POTRA1-5 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 23 6 GLY H H 8.096 . . 2 23 6 GLY N N 109.647 . . 3 24 7 PHE H H 8.375 . . 4 24 7 PHE N N 119.202 . . 5 25 8 VAL H H 8.187 . . 6 25 8 VAL N N 123.148 . . 7 26 9 VAL H H 8.165 . . 8 26 9 VAL N N 127.576 . . 9 27 10 LYS H H 9.033 . . 10 27 10 LYS N N 129.343 . . 11 28 11 ASP H H 7.362 . . 12 28 11 ASP N N 114.849 . . 13 29 12 ILE H H 8.108 . . 14 29 12 ILE N N 121.635 . . 15 30 13 HIS H H 8.674 . . 16 30 13 HIS N N 125.422 . . 17 31 14 PHE H H 8.731 . . 18 31 14 PHE N N 121.781 . . 19 32 15 GLU H H 9.097 . . 20 32 15 GLU N N 122.262 . . 21 33 16 GLY H H 8.361 . . 22 33 16 GLY N N 110.849 . . 23 34 17 LEU H H 7.489 . . 24 34 17 LEU N N 118.944 . . 25 35 18 GLN H H 9.801 . . 26 35 18 GLN N N 124.733 . . 27 36 19 ARG H H 11.322 . . 28 36 19 ARG N N 127.154 . . 29 37 20 VAL H H 8.616 . . 30 37 20 VAL N N 123.871 . . 31 38 21 ALA H H 8.145 . . 32 38 21 ALA N N 129.231 . . 33 39 22 VAL H H 8.430 . . 34 39 22 VAL N N 123.342 . . 35 40 23 GLY H H 8.433 . . 36 40 23 GLY N N 104.664 . . 37 41 24 ALA H H 6.641 . . 38 41 24 ALA N N 122.153 . . 39 42 25 ALA H H 7.773 . . 40 42 25 ALA N N 123.309 . . 41 43 26 LEU H H 8.327 . . 42 43 26 LEU N N 117.155 . . 43 44 27 LEU H H 7.316 . . 44 44 27 LEU N N 117.638 . . 45 45 28 SER H H 7.374 . . 46 45 28 SER N N 113.099 . . 47 46 29 MET H H 7.376 . . 48 46 29 MET N N 119.552 . . 49 48 31 VAL H H 6.384 . . 50 48 31 VAL N N 112.436 . . 51 49 32 ARG H H 8.486 . . 52 49 32 ARG N N 121.203 . . 53 50 33 THR H H 8.046 . . 54 50 33 THR N N 114.443 . . 55 51 34 GLY H H 9.058 . . 56 51 34 GLY N N 115.108 . . 57 52 35 ASP H H 7.805 . . 58 52 35 ASP N N 121.855 . . 59 53 36 THR H H 8.279 . . 60 53 36 THR N N 116.983 . . 61 54 37 VAL H H 8.642 . . 62 54 37 VAL N N 123.993 . . 63 55 38 ASN H H 9.133 . . 64 55 38 ASN N N 122.481 . . 65 56 39 ASP H H 8.334 . . 66 56 39 ASP N N 117.562 . . 67 57 40 GLU H H 8.350 . . 68 57 40 GLU N N 121.253 . . 69 58 41 ASP H H 7.814 . . 70 58 41 ASP N N 119.199 . . 71 59 42 ILE H H 7.926 . . 72 59 42 ILE N N 122.897 . . 73 61 44 ASN H H 8.519 . . 74 61 44 ASN N N 119.708 . . 75 62 45 THR H H 8.104 . . 76 62 45 THR N N 120.898 . . 77 63 46 ILE H H 7.916 . . 78 63 46 ILE N N 122.892 . . 79 64 47 ARG H H 7.712 . . 80 64 47 ARG N N 117.547 . . 81 65 48 ALA H H 8.241 . . 82 65 48 ALA N N 122.545 . . 83 66 49 LEU H H 8.202 . . 84 66 49 LEU N N 118.024 . . 85 67 50 PHE H H 8.931 . . 86 67 50 PHE N N 122.445 . . 87 68 51 ALA H H 8.320 . . 88 68 51 ALA N N 121.862 . . 89 69 52 THR H H 7.316 . . 90 69 52 THR N N 107.336 . . 91 70 53 GLY H H 7.432 . . 92 70 53 GLY N N 106.962 . . 93 71 54 ASN H H 6.981 . . 94 71 54 ASN N N 112.381 . . 95 72 55 PHE H H 8.557 . . 96 72 55 PHE N N 117.878 . . 97 73 56 GLU H H 9.347 . . 98 73 56 GLU N N 122.017 . . 99 74 57 ASP H H 7.514 . . 100 74 57 ASP N N 116.190 . . 101 75 58 VAL H H 7.495 . . 102 75 58 VAL N N 122.898 . . 103 76 59 ARG H H 8.779 . . 104 76 59 ARG N N 126.123 . . 105 77 60 VAL H H 7.768 . . 106 77 60 VAL N N 121.542 . . 107 78 61 LEU H H 9.092 . . 108 78 61 LEU N N 126.785 . . 109 79 62 ARG H H 8.339 . . 110 79 62 ARG N N 121.006 . . 111 80 63 ASP H H 8.550 . . 112 80 63 ASP N N 127.957 . . 113 81 64 GLY H H 8.702 . . 114 81 64 GLY N N 116.134 . . 115 82 65 ASP H H 8.598 . . 116 82 65 ASP N N 128.040 . . 117 83 66 THR H H 7.963 . . 118 83 66 THR N N 115.840 . . 119 84 67 LEU H H 8.227 . . 120 84 67 LEU N N 123.416 . . 121 85 68 LEU H H 8.911 . . 122 85 68 LEU N N 128.898 . . 123 86 69 VAL H H 8.614 . . 124 86 69 VAL N N 127.128 . . 125 87 70 GLN H H 8.914 . . 126 87 70 GLN N N 125.746 . . 127 88 71 VAL H H 8.677 . . 128 88 71 VAL N N 116.794 . . 129 89 72 LYS H H 7.747 . . 130 89 72 LYS N N 119.267 . . 131 90 73 GLU H H 9.806 . . 132 90 73 GLU N N 127.974 . . 133 91 74 ARG H H 8.247 . . 134 91 74 ARG N N 122.278 . . 135 93 76 THR H H 7.765 . . 136 93 76 THR N N 112.813 . . 137 94 77 ILE H H 8.691 . . 138 94 77 ILE N N 124.714 . . 139 95 78 ALA H H 9.645 . . 140 95 78 ALA N N 133.328 . . 141 96 79 SER H H 7.292 . . 142 96 79 SER N N 108.969 . . 143 97 80 ILE H H 8.145 . . 144 97 80 ILE N N 122.013 . . 145 98 81 THR H H 8.222 . . 146 98 81 THR N N 120.047 . . 147 99 82 PHE H H 8.461 . . 148 99 82 PHE N N 120.446 . . 149 100 83 SER H H 8.913 . . 150 100 83 SER N N 115.859 . . 151 101 84 GLY H H 9.013 . . 152 101 84 GLY N N 114.626 . . 153 102 85 ASN H H 9.667 . . 154 102 85 ASN N N 115.624 . . 155 103 86 LYS H H 7.765 . . 156 103 86 LYS N N 124.175 . . 157 104 87 SER H H 8.961 . . 158 104 87 SER N N 112.791 . . 159 105 88 VAL H H 6.346 . . 160 105 88 VAL N N 118.869 . . 161 106 89 LYS H H 8.005 . . 162 106 89 LYS N N 124.864 . . 163 107 90 ASP H H 8.250 . . 164 107 90 ASP N N 119.716 . . 165 108 91 ASP H H 8.427 . . 166 108 91 ASP N N 115.086 . . 167 109 92 MET H H 7.108 . . 168 109 92 MET N N 118.557 . . 169 110 93 LEU H H 6.959 . . 170 110 93 LEU N N 120.098 . . 171 111 94 LYS H H 8.564 . . 172 111 94 LYS N N 119.259 . . 173 112 95 GLN H H 7.557 . . 174 112 95 GLN N N 118.143 . . 175 113 96 ASN H H 7.241 . . 176 113 96 ASN N N 120.024 . . 177 114 97 LEU H H 7.958 . . 178 114 97 LEU N N 119.799 . . 179 115 98 GLU H H 8.300 . . 180 115 98 GLU N N 120.805 . . 181 116 99 ALA H H 7.563 . . 182 116 99 ALA N N 122.146 . . 183 117 100 SER H H 7.377 . . 184 117 100 SER N N 112.749 . . 185 118 101 GLY H H 7.688 . . 186 118 101 GLY N N 108.105 . . 187 119 102 VAL H H 7.804 . . 188 119 102 VAL N N 123.718 . . 189 120 103 ARG H H 6.849 . . 190 120 103 ARG N N 120.898 . . 191 121 104 VAL H H 8.359 . . 192 121 104 VAL N N 122.065 . . 193 122 105 GLY H H 9.103 . . 194 122 105 GLY N N 115.238 . . 195 123 106 GLU H H 7.567 . . 196 123 106 GLU N N 119.314 . . 197 124 107 SER H H 8.609 . . 198 124 107 SER N N 115.764 . . 199 125 108 LEU H H 8.182 . . 200 125 108 LEU N N 122.713 . . 201 126 109 ASP H H 8.935 . . 202 126 109 ASP N N 126.127 . . 203 127 110 ARG H H 9.215 . . 204 127 110 ARG N N 126.224 . . 205 128 111 THR H H 8.442 . . 206 128 111 THR N N 111.029 . . 207 130 113 ILE H H 6.939 . . 208 130 113 ILE N N 122.549 . . 209 131 114 ALA H H 8.346 . . 210 131 114 ALA N N 121.066 . . 211 132 115 ASP H H 7.494 . . 212 132 115 ASP N N 118.295 . . 213 133 116 ILE H H 7.973 . . 214 133 116 ILE N N 123.637 . . 215 134 117 GLU H H 8.038 . . 216 134 117 GLU N N 119.284 . . 217 135 118 LYS H H 7.867 . . 218 135 118 LYS N N 117.857 . . 219 136 119 GLY H H 8.263 . . 220 136 119 GLY N N 106.548 . . 221 137 120 LEU H H 7.929 . . 222 137 120 LEU N N 122.882 . . 223 138 121 GLU H H 8.201 . . 224 138 121 GLU N N 122.376 . . 225 139 122 ASP H H 8.423 . . 226 139 122 ASP N N 120.962 . . 227 140 123 PHE H H 8.397 . . 228 140 123 PHE N N 122.904 . . 229 141 124 TYR H H 8.934 . . 230 141 124 TYR N N 122.024 . . 231 142 125 TYR H H 7.616 . . 232 142 125 TYR N N 116.323 . . 233 143 126 SER H H 8.073 . . 234 143 126 SER N N 115.765 . . 235 144 127 VAL H H 7.450 . . 236 144 127 VAL N N 117.398 . . 237 145 128 GLY H H 7.239 . . 238 145 128 GLY N N 107.246 . . 239 146 129 LYS H H 7.574 . . 240 146 129 LYS N N 114.063 . . 241 147 130 TYR H H 7.183 . . 242 147 130 TYR N N 117.516 . . 243 148 131 SER H H 8.482 . . 244 148 131 SER N N 116.437 . . 245 149 132 ALA H H 8.352 . . 246 149 132 ALA N N 124.358 . . 247 150 133 SER H H 7.762 . . 248 150 133 SER N N 114.424 . . 249 151 134 VAL H H 9.081 . . 250 151 134 VAL N N 125.481 . . 251 152 135 LYS H H 8.312 . . 252 152 135 LYS N N 126.319 . . 253 153 136 ALA H H 10.216 . . 254 153 136 ALA N N 128.286 . . 255 154 137 VAL H H 9.519 . . 256 154 137 VAL N N 125.896 . . 257 155 138 VAL H H 8.754 . . 258 155 138 VAL N N 130.807 . . 259 156 139 THR H H 8.860 . . 260 156 139 THR N N 125.780 . . 261 158 141 LEU H H 8.328 . . 262 158 141 LEU N N 123.341 . . 263 160 143 ARG H H 8.739 . . 264 160 143 ARG N N 114.831 . . 265 161 144 ASN H H 8.647 . . 266 161 144 ASN N N 116.481 . . 267 162 145 ARG H H 6.643 . . 268 162 145 ARG N N 116.272 . . 269 163 146 VAL H H 8.489 . . 270 163 146 VAL N N 111.116 . . 271 164 147 ASP H H 8.668 . . 272 164 147 ASP N N 123.339 . . 273 165 148 LEU H H 8.056 . . 274 165 148 LEU N N 125.094 . . 275 166 149 LYS H H 8.746 . . 276 166 149 LYS N N 129.966 . . 277 167 150 LEU H H 8.716 . . 278 167 150 LEU N N 129.261 . . 279 168 151 VAL H H 8.714 . . 280 168 151 VAL N N 124.247 . . 281 169 152 PHE H H 9.341 . . 282 169 152 PHE N N 127.436 . . 283 170 153 GLN H H 8.576 . . 284 170 153 GLN N N 121.439 . . 285 171 154 GLU H H 9.045 . . 286 171 154 GLU N N 126.676 . . 287 172 155 GLY H H 8.576 . . 288 172 155 GLY N N 111.068 . . 289 173 156 VAL H H 8.322 . . 290 173 156 VAL N N 118.925 . . 291 175 158 ALA H H 7.881 . . 292 175 158 ALA N N 123.501 . . 293 176 159 GLU H H 8.043 . . 294 176 159 GLU N N 119.519 . . 295 181 164 ASN H H 8.915 . . 296 181 164 ASN N N 124.603 . . 297 182 165 ILE H H 8.054 . . 298 182 165 ILE N N 124.033 . . 299 183 166 VAL H H 8.802 . . 300 183 166 VAL N N 127.807 . . 301 184 167 GLY H H 8.639 . . 302 184 167 GLY N N 113.273 . . 303 185 168 ASN H H 9.100 . . 304 185 168 ASN N N 114.560 . . 305 186 169 HIS H H 9.376 . . 306 186 169 HIS N N 121.528 . . 307 187 170 ALA H H 10.390 . . 308 187 170 ALA N N 127.312 . . 309 188 171 PHE H H 6.533 . . 310 188 171 PHE N N 110.790 . . 311 189 172 THR H H 9.098 . . 312 189 172 THR N N 114.036 . . 313 190 173 THR H H 8.836 . . 314 190 173 THR N N 118.730 . . 315 191 174 ASP H H 8.172 . . 316 191 174 ASP N N 117.692 . . 317 192 175 GLU H H 7.588 . . 318 192 175 GLU N N 119.836 . . 319 193 176 LEU H H 7.480 . . 320 193 176 LEU N N 118.766 . . 321 194 177 ILE H H 8.287 . . 322 194 177 ILE N N 115.023 . . 323 227 210 ARG H H 7.930 . . 324 227 210 ARG N N 117.545 . . 325 228 211 SER H H 8.370 . . 326 228 211 SER N N 114.039 . . 327 229 212 TYR H H 7.875 . . 328 229 212 TYR N N 122.782 . . 329 230 213 TYR H H 7.030 . . 330 230 213 TYR N N 115.724 . . 331 231 214 LEU H H 8.849 . . 332 231 214 LEU N N 122.531 . . 333 232 215 ASP H H 8.377 . . 334 232 215 ASP N N 118.489 . . 335 233 216 ARG H H 7.401 . . 336 233 216 ARG N N 119.474 . . 337 234 217 GLY H H 7.412 . . 338 234 217 GLY N N 104.936 . . 339 235 218 TYR H H 8.236 . . 340 235 218 TYR N N 124.100 . . 341 236 219 ALA H H 7.373 . . 342 236 219 ALA N N 120.432 . . 343 237 220 ARG H H 9.407 . . 344 237 220 ARG N N 116.239 . . 345 238 221 PHE H H 7.600 . . 346 238 221 PHE N N 122.489 . . 347 239 222 ASN H H 7.725 . . 348 239 222 ASN N N 124.934 . . 349 240 223 ILE H H 7.737 . . 350 240 223 ILE N N 122.894 . . 351 241 224 ASP H H 8.580 . . 352 241 224 ASP N N 130.105 . . 353 242 225 SER H H 7.595 . . 354 242 225 SER N N 107.905 . . 355 259 242 ASN H H 8.643 . . 356 259 242 ASN N N 126.414 . . 357 260 243 ILE H H 8.803 . . 358 260 243 ILE N N 116.567 . . 359 261 244 THR H H 8.113 . . 360 261 244 THR N N 117.714 . . 361 262 245 GLU H H 8.771 . . 362 262 245 GLU N N 124.607 . . 363 263 246 GLY H H 7.978 . . 364 263 246 GLY N N 102.150 . . 365 264 247 ASP H H 8.102 . . 366 264 247 ASP N N 117.978 . . 367 266 249 TYR H H 8.916 . . 368 266 249 TYR N N 122.112 . . 369 267 250 LYS H H 7.976 . . 370 267 250 LYS N N 119.663 . . 371 268 251 LEU H H 8.858 . . 372 268 251 LEU N N 122.222 . . 373 269 252 SER H H 9.338 . . 374 269 252 SER N N 118.825 . . 375 270 253 GLY H H 7.020 . . 376 270 253 GLY N N 107.263 . . 377 271 254 VAL H H 8.356 . . 378 271 254 VAL N N 120.251 . . 379 272 255 GLU H H 8.798 . . 380 272 255 GLU N N 127.702 . . 381 273 256 VAL H H 8.904 . . 382 273 256 VAL N N 127.927 . . 383 274 257 SER H H 8.900 . . 384 274 257 SER N N 122.197 . . 385 275 258 GLY H H 8.185 . . 386 275 258 GLY N N 107.106 . . 387 276 259 ASN H H 8.373 . . 388 276 259 ASN N N 119.916 . . 389 277 260 LEU H H 8.255 . . 390 277 260 LEU N N 123.004 . . 391 278 261 ALA H H 8.035 . . 392 278 261 ALA N N 119.114 . . 393 279 262 GLY H H 8.052 . . 394 279 262 GLY N N 103.050 . . 395 280 263 HIS H H 7.617 . . 396 280 263 HIS N N 117.077 . . 397 281 264 SER H H 7.773 . . 398 281 264 SER N N 115.238 . . 399 282 265 ALA H H 8.491 . . 400 282 265 ALA N N 124.226 . . 401 283 266 GLU H H 8.117 . . 402 283 266 GLU N N 117.573 . . 403 284 267 ILE H H 7.822 . . 404 284 267 ILE N N 120.173 . . 405 285 268 GLU H H 8.579 . . 406 285 268 GLU N N 121.881 . . 407 286 269 GLN H H 7.227 . . 408 286 269 GLN N N 116.092 . . 409 287 270 LEU H H 7.447 . . 410 287 270 LEU N N 117.381 . . 411 288 271 THR H H 7.282 . . 412 288 271 THR N N 106.786 . . 413 289 272 LYS H H 6.702 . . 414 289 272 LYS N N 120.944 . . 415 290 273 ILE H H 7.867 . . 416 290 273 ILE N N 121.334 . . 417 291 274 GLU H H 8.837 . . 418 291 274 GLU N N 125.711 . . 419 293 276 GLY H H 8.699 . . 420 293 276 GLY N N 112.596 . . 421 294 277 GLU H H 7.877 . . 422 294 277 GLU N N 120.836 . . 423 295 278 LEU H H 8.365 . . 424 295 278 LEU N N 123.119 . . 425 296 279 TYR H H 8.496 . . 426 296 279 TYR N N 121.978 . . 427 297 280 ASN H H 6.922 . . 428 297 280 ASN N N 124.798 . . 429 298 281 GLY H H 7.977 . . 430 298 281 GLY N N 112.470 . . 431 299 282 THR H H 8.314 . . 432 299 282 THR N N 121.860 . . 433 300 283 LYS H H 7.563 . . 434 300 283 LYS N N 123.288 . . 435 301 284 VAL H H 7.303 . . 436 301 284 VAL N N 119.388 . . 437 302 285 THR H H 7.608 . . 438 302 285 THR N N 115.652 . . 439 303 286 LYS H H 7.951 . . 440 303 286 LYS N N 122.468 . . 441 304 287 MET H H 7.892 . . 442 304 287 MET N N 119.501 . . 443 305 288 GLU H H 7.762 . . 444 305 288 GLU N N 116.734 . . 445 306 289 ASP H H 8.070 . . 446 306 289 ASP N N 119.522 . . 447 307 290 ASP H H 8.988 . . 448 307 290 ASP N N 121.683 . . 449 308 291 ILE H H 8.170 . . 450 308 291 ILE N N 122.675 . . 451 310 293 LYS H H 8.451 . . 452 310 293 LYS N N 120.883 . . 453 311 294 LEU H H 7.759 . . 454 311 294 LEU N N 122.180 . . 455 313 296 GLY H H 8.157 . . 456 313 296 GLY N N 108.523 . . 457 314 297 ARG H H 7.615 . . 458 314 297 ARG N N 123.310 . . 459 315 298 TYR H H 7.184 . . 460 315 298 TYR N N 115.266 . . 461 316 299 GLY H H 7.309 . . 462 316 299 GLY N N 106.915 . . 463 317 300 TYR H H 7.570 . . 464 317 300 TYR N N 122.995 . . 465 318 301 ALA H H 6.544 . . 466 318 301 ALA N N 123.123 . . 467 319 302 TYR H H 8.890 . . 468 319 302 TYR N N 115.060 . . 469 321 304 ARG H H 8.545 . . 470 321 304 ARG N N 120.971 . . 471 322 305 VAL H H 8.575 . . 472 322 305 VAL N N 125.450 . . 473 323 306 GLN H H 8.703 . . 474 323 306 GLN N N 126.116 . . 475 324 307 SER H H 8.746 . . 476 324 307 SER N N 122.003 . . 477 325 308 MET H H 9.065 . . 478 325 308 MET N N 123.317 . . 479 327 310 GLU H H 9.032 . . 480 327 310 GLU N N 126.444 . . 481 328 311 ILE H H 8.729 . . 482 328 311 ILE N N 130.177 . . 483 329 312 ASN H H 9.257 . . 484 329 312 ASN N N 127.800 . . 485 330 313 ASP H H 8.801 . . 486 330 313 ASP N N 124.062 . . 487 331 314 ALA H H 8.290 . . 488 331 314 ALA N N 122.621 . . 489 332 315 ASP H H 7.229 . . 490 332 315 ASP N N 114.383 . . 491 333 316 LYS H H 7.641 . . 492 333 316 LYS N N 115.912 . . 493 334 317 THR H H 8.124 . . 494 334 317 THR N N 108.590 . . 495 335 318 VAL H H 8.740 . . 496 335 318 VAL N N 118.798 . . 497 336 319 LYS H H 8.467 . . 498 336 319 LYS N N 128.728 . . 499 337 320 LEU H H 8.459 . . 500 337 320 LEU N N 127.638 . . 501 338 321 ARG H H 8.038 . . 502 338 321 ARG N N 126.301 . . 503 339 322 VAL H H 8.841 . . 504 339 322 VAL N N 126.933 . . 505 340 323 ASN H H 8.969 . . 506 340 323 ASN N N 127.047 . . 507 341 324 VAL H H 8.771 . . 508 341 324 VAL N N 126.155 . . 509 342 325 ASP H H 8.932 . . 510 342 325 ASP N N 124.572 . . 511 343 326 ALA H H 8.301 . . 512 343 326 ALA N N 127.648 . . 513 344 327 GLY H H 7.641 . . 514 344 327 GLY N N 100.356 . . 515 345 328 ASN H H 8.440 . . 516 345 328 ASN N N 118.900 . . 517 346 329 ARG H H 7.913 . . 518 346 329 ARG N N 122.311 . . 519 347 330 PHE H H 8.463 . . 520 347 330 PHE N N 123.124 . . 521 348 331 TYR H H 9.028 . . 522 348 331 TYR N N 119.480 . . 523 349 332 VAL H H 8.239 . . 524 349 332 VAL N N 119.814 . . 525 350 333 ARG H H 9.650 . . 526 350 333 ARG N N 132.143 . . 527 351 334 LYS H H 7.845 . . 528 351 334 LYS N N 114.926 . . 529 352 335 ILE H H 9.206 . . 530 352 335 ILE N N 122.245 . . 531 353 336 ARG H H 8.844 . . 532 353 336 ARG N N 126.776 . . 533 354 337 PHE H H 8.365 . . 534 354 337 PHE N N 119.442 . . 535 355 338 GLU H H 8.916 . . 536 355 338 GLU N N 122.539 . . 537 356 339 GLY H H 8.667 . . 538 356 339 GLY N N 111.411 . . 539 360 343 SER H H 8.626 . . 540 360 343 SER N N 120.524 . . 541 363 346 ALA H H 8.421 . . 542 363 346 ALA N N 116.952 . . 543 364 347 VAL H H 7.098 . . 544 364 347 VAL N N 116.401 . . 545 366 349 ARG H H 8.393 . . 546 366 349 ARG N N 117.708 . . 547 373 356 GLU H H 8.139 . . 548 373 356 GLU N N 113.617 . . 549 374 357 GLY H H 9.105 . . 550 374 357 GLY N N 113.006 . . 551 376 359 TRP H H 7.471 . . 552 376 359 TRP N N 118.154 . . 553 377 360 LEU H H 9.108 . . 554 377 360 LEU N N 125.817 . . 555 380 363 ASP H H 8.872 . . 556 380 363 ASP N N 120.712 . . 557 381 364 LEU H H 7.341 . . 558 381 364 LEU N N 121.698 . . 559 383 366 ASP H H 8.320 . . 560 383 366 ASP N N 124.919 . . 561 384 367 GLN H H 8.616 . . 562 384 367 GLN N N 121.143 . . 563 385 368 GLY H H 7.678 . . 564 385 368 GLY N N 105.322 . . 565 387 370 GLU H H 7.920 . . 566 387 370 GLU N N 119.160 . . 567 388 371 ARG H H 8.038 . . 568 388 371 ARG N N 118.407 . . 569 389 372 LEU H H 7.174 . . 570 389 372 LEU N N 116.756 . . 571 390 373 ASN H H 8.290 . . 572 390 373 ASN N N 118.845 . . 573 391 374 ARG H H 7.779 . . 574 391 374 ARG N N 118.455 . . 575 392 375 LEU H H 7.219 . . 576 392 375 LEU N N 117.694 . . 577 393 376 GLY H H 7.144 . . 578 393 376 GLY N N 102.086 . . 579 394 377 PHE H H 5.855 . . 580 394 377 PHE N N 114.700 . . 581 395 378 PHE H H 8.362 . . 582 395 378 PHE N N 116.892 . . 583 396 379 GLU H H 9.317 . . 584 396 379 GLU N N 123.764 . . 585 397 380 THR H H 7.061 . . 586 397 380 THR N N 106.868 . . 587 398 381 VAL H H 7.981 . . 588 398 381 VAL N N 121.058 . . 589 399 382 ASP H H 8.849 . . 590 399 382 ASP N N 126.070 . . 591 400 383 THR H H 8.408 . . 592 400 383 THR N N 110.485 . . 593 401 384 ASP H H 8.507 . . 594 401 384 ASP N N 121.275 . . 595 402 385 THR H H 8.097 . . 596 402 385 THR N N 119.367 . . 597 403 386 GLN H H 8.787 . . 598 403 386 GLN N N 124.491 . . 599 404 387 ARG H H 8.582 . . 600 404 387 ARG N N 123.687 . . 601 405 388 VAL H H 8.022 . . 602 405 388 VAL N N 127.015 . . 603 407 390 GLY H H 8.570 . . 604 407 390 GLY N N 112.067 . . 605 408 391 SER H H 7.749 . . 606 408 391 SER N N 115.097 . . 607 410 393 ASP H H 7.780 . . 608 410 393 ASP N N 115.014 . . 609 411 394 GLN H H 7.370 . . 610 411 394 GLN N N 115.085 . . 611 412 395 VAL H H 8.761 . . 612 412 395 VAL N N 113.960 . . 613 413 396 ASP H H 8.989 . . 614 413 396 ASP N N 120.597 . . 615 414 397 VAL H H 8.406 . . 616 414 397 VAL N N 121.558 . . 617 415 398 VAL H H 8.478 . . 618 415 398 VAL N N 126.777 . . 619 416 399 TYR H H 8.646 . . 620 416 399 TYR N N 125.813 . . 621 417 400 LYS H H 8.731 . . 622 417 400 LYS N N 124.913 . . 623 418 401 VAL H H 8.955 . . 624 418 401 VAL N N 120.058 . . 625 419 402 LYS H H 7.557 . . 626 419 402 LYS N N 120.864 . . 627 420 403 GLU H H 9.596 . . 628 420 403 GLU N N 128.139 . . 629 421 404 ARG H H 8.225 . . 630 421 404 ARG N N 121.089 . . 631 422 405 ASN H H 8.663 . . 632 422 405 ASN N N 121.133 . . 633 423 406 THR H H 8.116 . . 634 423 406 THR N N 114.493 . . 635 424 407 GLY H H 8.100 . . 636 424 407 GLY N N 111.190 . . 637 426 409 GLY H H 8.123 . . 638 426 409 GLY N N 116.833 . . stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T1_coherence_type . _T1_value_units ms _Mol_system_component_name POTRA1-5 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 6 GLY N 1018 34 2 7 PHE N 1684 82 3 8 VAL N 1897 79 4 9 VAL N 1854 50 5 10 LYS N 1698 141 6 11 ASP N 1845 118 7 12 ILE N 2449 145 8 14 PHE N 2460 82 9 15 GLU N 2307 170 10 16 GLY N 2007 87 11 18 GLN N 1989 247 12 19 ARG N 2345 915 13 20 VAL N 2116 98 14 21 ALA N 2212 141 15 22 VAL N 1965 68 16 23 GLY N 1791 135 17 24 ALA N 1912 247 18 25 ALA N 1917 60 19 26 LEU N 1971 136 20 27 LEU N 1816 64 21 28 SER N 2139 155 22 31 VAL N 2506 106 23 33 THR N 1925 53 24 34 GLY N 1804 126 25 35 ASP N 1970 116 26 36 THR N 1926 72 27 37 VAL N 1739 155 28 38 ASN N 2016 59 29 39 ASP N 2035 98 30 40 GLU N 2789 255 31 41 ASP N 1762 55 32 44 ASN N 2638 240 33 45 THR N 1711 156 34 47 ARG N 2357 178 35 49 LEU N 1976 130 36 50 PHE N 2815 312 37 52 THR N 2092 163 38 53 GLY N 1872 203 39 54 ASN N 2482 163 40 55 PHE N 1733 69 41 56 GLU N 2097 201 42 57 ASP N 1525 110 43 58 VAL N 2272 115 44 60 VAL N 2510 200 45 61 LEU N 1985 105 46 62 ARG N 2292 74 47 63 ASP N 1732 88 48 64 GLY N 1930 52 49 65 ASP N 1533 76 50 66 THR N 1687 99 51 67 LEU N 1771 50 52 68 LEU N 1753 76 53 69 VAL N 1982 135 54 70 GLN N 1795 145 55 71 VAL N 2496 79 56 72 LYS N 2154 148 57 73 GLU N 1990 127 58 76 THR N 2148 180 59 77 ILE N 2413 141 60 78 ALA N 1799 301 61 79 SER N 2369 193 62 80 ILE N 2152 95 63 82 PHE N 2530 170 64 83 SER N 2321 95 65 84 GLY N 2336 134 66 85 ASN N 2392 135 67 86 LYS N 2036 199 68 88 VAL N 2510 289 69 89 LYS N 2641 226 70 91 ASP N 2210 120 71 92 MET N 2791 434 72 93 LEU N 3014 645 73 94 LYS N 2541 219 74 95 GLN N 2728 242 75 96 ASN N 2816 403 76 99 ALA N 3208 339 77 100 SER N 2127 89 78 101 GLY N 2316 243 79 102 VAL N 3071 282 80 103 ARG N 3033 276 81 104 VAL N 2795 103 82 105 GLY N 2283 118 83 106 GLU N 2724 292 84 107 SER N 2532 72 85 109 ASP N 2593 110 86 110 ARG N 3000 356 87 111 THR N 2251 231 88 113 ILE N 2339 355 89 115 ASP N 4011 487 90 116 ILE N 2507 417 91 118 LYS N 2699 218 92 119 GLY N 2968 444 93 123 PHE N 2533 287 94 125 TYR N 2413 293 95 126 SER N 1411 113 96 127 VAL N 3300 415 97 128 GLY N 2193 383 98 130 TYR N 2609 161 99 131 SER N 1794 97 100 134 VAL N 2607 137 101 135 LYS N 2871 224 102 136 ALA N 2362 217 103 137 VAL N 2408 174 104 138 VAL N 2115 97 105 139 THR N 2098 102 106 141 LEU N 2230 99 107 143 ARG N 2648 189 108 144 ASN N 2218 167 109 145 ARG N 1974 97 110 146 VAL N 2420 121 111 147 ASP N 2367 144 112 148 LEU N 2234 111 113 149 LYS N 2644 248 114 150 LEU N 2411 176 115 151 VAL N 2420 188 116 152 PHE N 2263 136 117 153 GLN N 2994 289 118 155 GLY N 1659 83 119 167 GLY N 2745 404 120 168 ASN N 2809 466 121 171 PHE N 3396 330 122 172 THR N 5510 792 123 173 THR N 3330 499 124 174 ASP N 2719 202 125 210 ARG N 3045 791 126 211 SER N 6802 2935 127 213 TYR N 2243 357 128 214 LEU N 4110 1582 129 215 ASP N 5212 1608 130 217 GLY N 2901 495 131 218 TYR N 2292 200 132 220 ARG N 1728 448 133 221 PHE N 3291 603 134 222 ASN N 3734 286 135 223 ILE N 3369 264 136 224 ASP N 3555 1052 137 225 SER N 3175 631 138 242 ASN N 3780 741 139 243 ILE N 4107 526 140 244 THR N 3721 280 141 245 GLU N 4262 480 142 246 GLY N 4988 1691 143 247 ASP N 3940 403 144 249 TYR N 3627 363 145 251 LEU N 3144 190 146 252 SER N 2405 331 147 253 GLY N 3332 618 148 254 VAL N 3802 324 149 256 VAL N 3252 201 150 257 SER N 3175 179 151 258 GLY N 2951 327 152 259 ASN N 3364 207 153 260 LEU N 2353 202 154 262 GLY N 3306 -777 155 263 HIS N 3806 637 156 264 SER N 3105 148 157 265 ALA N 2020 192 158 266 GLU N 3505 385 159 267 ILE N 2194 248 160 268 GLU N 3562 708 161 269 GLN N 2732 147 162 270 LEU N 3491 549 163 271 THR N 4769 1086 164 272 LYS N 2568 293 165 274 GLU N 1856 104 166 276 GLY N 1416 42 167 277 GLU N 2003 57 168 278 LEU N 2813 111 169 279 TYR N 3578 256 170 280 ASN N 3039 363 171 281 GLY N 3152 392 172 283 LYS N 4487 975 173 284 VAL N 4555 1607 174 285 THR N 3355 407 175 286 LYS N 3407 437 176 287 MET N 3749 583 177 288 GLU N 4461 1201 178 290 ASP N 3931 668 179 296 GLY N 3613 875 180 297 ARG N 3134 506 181 298 TYR N 4533 1140 182 299 GLY N 4802 2500 183 300 TYR N 2475 213 184 301 ALA N 3086 328 185 302 TYR N 4101 829 186 304 ARG N 4101 588 187 306 GLN N 4200 368 188 308 MET N 3386 278 189 311 ILE N 3304 336 190 312 ASN N 3742 586 191 313 ASP N 2999 456 192 314 ALA N 3285 374 193 315 ASP N 4873 1381 194 316 LYS N 2768 272 195 317 THR N 3756 957 196 318 VAL N 3535 358 197 319 LYS N 3618 541 198 320 LEU N 3272 290 199 321 ARG N 4352 805 200 322 VAL N 3365 119 201 323 ASN N 3408 421 202 326 ALA N 4245 412 203 327 GLY N 3346 538 204 328 ASN N 3080 197 205 329 ARG N 2749 258 206 330 PHE N 2600 163 207 331 TYR N 2882 367 208 333 ARG N 2674 716 209 334 LYS N 3091 321 210 336 ARG N 2878 156 211 337 PHE N 3806 481 212 338 GLU N 2772 201 213 339 GLY N 2488 196 214 346 ALA N 2345 244 215 356 GLU N 2557 299 216 359 TRP N 3677 207 217 360 LEU N 2386 233 218 363 ASP N 1549 300 219 364 LEU N 3305 681 220 366 ASP N 2655 417 221 367 GLN N 2559 330 222 370 GLU N 2373 162 223 371 ARG N 2889 203 224 373 ASN N 2392 360 225 374 ARG N 1520 94 226 375 LEU N 2434 111 227 376 GLY N 2862 543 228 377 PHE N 2315 642 229 378 PHE N 2078 175 230 379 GLU N 2813 553 231 380 THR N 2877 583 232 381 VAL N 2670 131 233 383 THR N 3110 237 234 386 GLN N 3834 476 235 387 ARG N 2558 119 236 388 VAL N 2437 228 237 390 GLY N 2166 305 238 391 SER N 2434 150 239 393 ASP N 2801 101 240 394 GLN N 2897 379 241 395 VAL N 3210 495 242 396 ASP N 2650 282 243 397 VAL N 3909 528 244 398 VAL N 3891 654 245 400 LYS N 2887 247 246 401 VAL N 2529 186 247 402 LYS N 2668 317 248 403 GLU N 1903 294 249 404 ARG N 1873 48 250 405 ASN N 1224 30 251 406 THR N 1002 28 252 407 GLY N 965 23 253 409 GLY N 1840 69 stop_ save_ save_heteronuclear_T1rho_list_1 _Saveframe_category T1rho_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T1rho_coherence_type . _T1rho_value_units ms _Text_data_format . _Text_data . loop_ _T1rho_ID _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 1 6 GLY N 141.0 5.1 2 7 PHE N 36.8 3.8 3 8 VAL N 45.8 5.9 4 9 VAL N 42.6 5.2 5 10 LYS N 41.2 2.6 6 11 ASP N 34.8 2.3 7 12 ILE N 42.9 3.7 8 14 PHE N 36.6 4.8 9 15 GLU N 42.3 2.8 10 16 GLY N 42.3 2.1 11 18 GLN N 31.0 2.6 12 19 ARG N 34.1 3.4 13 20 VAL N 35.6 2.7 14 21 ALA N 35.6 2.8 15 22 VAL N 31.4 3.4 16 23 GLY N 41.0 2.3 17 24 ALA N 29.6 3.5 18 25 ALA N 41.8 3.5 19 26 LEU N 34.9 2.3 20 27 LEU N 34.3 3.9 21 28 SER N 36.2 3.0 22 31 VAL N 50.1 5.2 23 33 THR N 28.2 2.5 24 34 GLY N 28.3 1.2 25 35 ASP N 28.2 2.9 26 36 THR N 32.2 2.8 27 37 VAL N 33.3 3.6 28 38 ASN N 29.3 2.0 29 39 ASP N 40.1 4.3 30 40 GLU N 29.2 2.7 31 41 ASP N 52.1 5.0 32 44 ASN N 26.6 2.8 33 45 THR N 60.0 4.3 34 47 ARG N 31.5 4.3 35 49 LEU N 38.2 5.1 36 50 PHE N 15.4 1.4 37 52 THR N 35.6 2.4 38 53 GLY N 34.6 2.3 39 54 ASN N 30.1 2.7 40 55 PHE N 26.7 2.0 41 56 GLU N 40.0 5.1 42 57 ASP N 32.0 1.8 43 58 VAL N 39.9 4.4 44 60 VAL N 28.7 3.4 45 61 LEU N 37.3 1.6 46 62 ARG N 42.2 4.3 47 63 ASP N 44.7 3.5 48 64 GLY N 39.6 5.3 49 65 ASP N 44.8 2.0 50 66 THR N 29.7 2.9 51 67 LEU N 66.8 10.0 52 68 LEU N 31.4 2.7 53 69 VAL N 41.5 3.9 54 70 GLN N 33.5 3.6 55 71 VAL N 23.1 1.7 56 72 LYS N 30.5 2.2 57 73 GLU N 33.4 1.6 58 76 THR N 36.4 3.8 59 77 ILE N 34.9 5.2 60 78 ALA N 36.3 2.0 61 79 SER N 31.3 3.1 62 80 ILE N 59.4 7.7 63 82 PHE N 31.5 3.3 64 83 SER N 21.4 2.6 65 84 GLY N 26.4 1.1 66 85 ASN N 17.9 1.4 67 86 LYS N 36.0 2.9 68 88 VAL N 31.4 3.8 69 89 LYS N 35.2 3.4 70 91 ASP N 26.1 2.5 71 92 MET N 35.2 3.1 72 93 LEU N 24.0 1.9 73 94 LYS N 27.1 2.1 74 95 GLN N 22.6 2.2 75 96 ASN N 22.7 2.5 76 99 ALA N 20.0 2.4 77 100 SER N 37.7 3.2 78 101 GLY N 30.0 2.6 79 102 VAL N 34.0 3.8 80 103 ARG N 33.2 3.8 81 104 VAL N 40.1 5.7 82 105 GLY N 33.0 3.3 83 106 GLU N 31.7 3.0 84 107 SER N 35.6 2.5 85 109 ASP N 32.2 4.0 86 110 ARG N 28.2 4.1 87 111 THR N 23.6 2.6 88 113 ILE N 26.7 5.0 89 115 ASP N 26.1 3.3 90 116 ILE N 30.3 4.5 91 118 LYS N 35.0 4.4 92 119 GLY N 30.4 2.3 93 123 PHE N 21.0 1.3 94 125 TYR N 18.8 2.9 95 127 VAL N 23.6 2.6 96 128 GLY N 33.8 5.0 97 130 TYR N 23.2 3.0 98 131 SER N 28.7 2.6 99 134 VAL N 36.8 2.7 100 135 LYS N 34.7 3.8 101 136 ALA N 33.1 3.8 102 137 VAL N 30.2 1.4 103 138 VAL N 41.8 3.3 104 139 THR N 37.6 2.7 105 141 LEU N 51.9 4.6 106 143 ARG N 32.7 2.7 107 144 ASN N 28.7 3.3 108 145 ARG N 29.3 2.4 109 146 VAL N 35.6 2.6 110 147 ASP N 26.4 2.7 111 148 LEU N 35.6 3.6 112 149 LYS N 34.4 2.8 113 150 LEU N 45.9 5.0 114 151 VAL N 40.7 5.6 115 152 PHE N 39.2 2.2 116 153 GLN N 37.8 2.8 117 155 GLY N 19.8 0.7 118 167 GLY N 20.2 1.8 119 168 ASN N 17.7 2.5 120 171 PHE N 27.6 3.2 121 172 THR N 22.9 1.8 122 173 THR N 24.0 3.6 123 174 ASP N 24.8 2.4 124 210 ARG N 19.7 2.9 125 211 SER N 19.8 3.5 126 213 TYR N 23.3 3.0 127 214 LEU N 19.5 2.4 128 215 ASP N 19.1 2.3 129 217 GLY N 16.6 1.0 130 218 TYR N 40.9 6.9 131 220 ARG N 18.3 5.0 132 221 PHE N 23.8 3.0 133 222 ASN N 23.2 3.1 134 223 ILE N 25.2 4.1 135 224 ASP N 28.9 3.0 136 225 SER N 26.8 2.1 137 242 ASN N 26.9 3.3 138 243 ILE N 19.3 1.3 139 244 THR N 23.7 2.3 140 245 GLU N 23.7 1.5 141 246 GLY N 28.9 1.7 142 247 ASP N 25.5 2.1 143 249 TYR N 19.2 1.6 144 251 LEU N 29.1 3.0 145 252 SER N 24.3 3.5 146 253 GLY N 20.1 1.2 147 254 VAL N 25.6 2.7 148 256 VAL N 26.3 1.9 149 257 SER N 21.3 2.4 150 258 GLY N 30.3 1.7 151 259 ASN N 32.3 4.4 152 260 LEU N 47.5 6.0 153 263 HIS N 23.6 2.7 154 264 SER N 22.2 2.5 155 265 ALA N 27.1 3.4 156 266 GLU N 20.9 2.4 157 268 GLU N 25.8 2.2 158 269 GLN N 25.2 3.2 159 270 LEU N 20.4 2.2 160 271 THR N 28.0 3.3 161 272 LYS N 34.1 4.3 162 274 GLU N 45.3 3.3 163 276 GLY N 35.5 2.7 164 277 GLU N 39.1 5.3 165 278 LEU N 27.6 2.7 166 279 TYR N 20.9 2.6 167 280 ASN N 25.6 2.5 168 281 GLY N 24.5 2.9 169 283 LYS N 19.6 2.0 170 284 VAL N 17.6 1.8 171 285 THR N 21.9 1.9 172 286 LYS N 30.1 5.2 173 287 MET N 23.2 2.2 174 288 GLU N 17.4 1.2 175 290 ASP N 20.1 1.9 176 296 GLY N 19.6 1.3 177 297 ARG N 20.6 2.3 178 298 TYR N 17.7 2.7 179 299 GLY N 28.7 2.2 180 300 TYR N 24.0 2.5 181 301 ALA N 24.5 2.4 182 302 TYR N 18.1 2.4 183 304 ARG N 21.2 1.6 184 306 GLN N 29.7 3.9 185 308 MET N 23.1 0.8 186 311 ILE N 36.5 4.6 187 312 ASN N 30.5 3.7 188 313 ASP N 23.4 2.0 189 314 ALA N 31.9 3.3 190 315 ASP N 20.6 2.8 191 316 LYS N 23.6 1.7 192 317 THR N 21.5 2.0 193 318 VAL N 24.4 3.1 194 319 LYS N 31.9 4.9 195 320 LEU N 34.2 6.1 196 321 ARG N 26.2 3.0 197 322 VAL N 30.0 3.2 198 323 ASN N 27.7 4.2 199 326 ALA N 27.2 3.5 200 327 GLY N 41.7 3.3 201 328 ASN N 29.8 4.4 202 329 ARG N 26.7 3.7 203 330 PHE N 31.0 3.7 204 331 TYR N 19.4 1.9 205 333 ARG N 22.7 4.3 206 334 LYS N 28.7 2.9 207 336 ARG N 35.0 4.3 208 337 PHE N 27.3 2.2 209 338 GLU N 20.3 1.8 210 339 GLY N 26.3 2.3 211 346 ALA N 18.5 1.7 212 356 GLU N 19.8 1.3 213 359 TRP N 26.0 5.3 214 360 LEU N 25.3 2.4 215 363 ASP N 19.5 2.9 216 364 LEU N 17.4 1.3 217 366 ASP N 28.2 2.7 218 367 GLN N 28.2 3.0 219 370 GLU N 22.7 2.0 220 371 ARG N 31.3 3.5 221 373 ASN N 23.1 3.4 222 374 ARG N 37.6 2.3 223 375 LEU N 23.3 3.8 224 376 GLY N 33.3 2.7 225 377 PHE N 24.9 4.2 226 378 PHE N 27.3 2.0 227 379 GLU N 25.1 4.3 228 380 THR N 31.8 3.3 229 381 VAL N 33.8 5.5 230 383 THR N 23.2 1.6 231 386 GLN N 19.5 1.5 232 387 ARG N 32.7 2.9 233 388 VAL N 30.5 2.5 234 390 GLY N 24.6 1.3 235 391 SER N 30.2 3.8 236 393 ASP N 23.7 2.0 237 394 GLN N 27.4 3.7 238 395 VAL N 18.0 2.3 239 396 ASP N 20.1 2.5 240 397 VAL N 23.1 2.5 241 398 VAL N 33.0 4.1 242 400 LYS N 38.2 5.8 243 401 VAL N 29.9 4.6 244 402 LYS N 25.9 1.6 245 403 GLU N 36.2 4.0 246 404 ARG N 69.5 10.0 247 405 ASN N 41.2 2.0 248 406 THR N 100.3 2.7 249 407 GLY N 246.7 23.0 250 409 GLY N 139.3 3.7 stop_ save_ save_heteronucl_NOEs_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name POTRA1-5 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 6 GLY 0.172 0.039 7 PHE 0.775 0.040 8 VAL 0.694 0.038 9 VAL 0.883 0.039 10 LYS 0.719 0.063 11 ASP 0.644 0.077 12 ILE 0.775 0.037 14 PHE 0.719 0.041 15 GLU 0.865 0.044 16 GLY 0.650 0.056 18 GLN 0.804 0.110 19 ARG 0.918 0.158 20 VAL 0.689 0.046 21 ALA 0.933 0.038 22 VAL 0.713 0.040 23 GLY 0.752 0.058 24 ALA 1.026 0.081 25 ALA 0.832 0.065 26 LEU 0.955 0.063 27 LEU 0.772 0.050 28 SER 0.532 0.075 31 VAL 0.610 0.050 33 THR 0.709 0.038 34 GLY 0.809 0.052 35 ASP 0.836 0.052 36 THR 0.757 0.035 37 VAL 0.792 0.060 38 ASN 0.799 0.045 39 ASP 0.736 0.053 40 GLU 0.702 0.089 41 ASP 1.007 0.081 44 ASN 0.825 0.066 45 THR 0.668 0.111 47 ARG 1.000 0.074 49 LEU 1.068 0.068 50 PHE 0.859 0.072 52 THR 0.696 0.123 53 GLY 0.882 0.093 54 ASN 0.735 0.100 55 PHE 0.846 0.059 56 GLU 1.013 0.086 57 ASP 0.774 0.098 58 VAL 0.734 0.042 60 VAL 0.901 0.045 61 LEU 0.966 0.048 62 ARG 0.580 0.038 63 ASP 0.733 0.033 64 GLY 0.689 0.040 65 ASP 0.623 0.058 66 THR 0.774 0.074 67 LEU 0.780 0.050 68 LEU 0.926 0.043 69 VAL 0.863 0.047 70 GLN 0.938 0.048 71 VAL 1.045 0.041 72 LYS 0.966 0.055 73 GLU 0.764 0.043 76 THR 0.832 0.053 77 ILE 0.911 0.058 78 ALA 0.794 0.098 79 SER 0.679 0.107 80 ILE 0.736 0.034 82 PHE 0.733 0.047 83 SER 0.974 0.055 84 GLY 0.733 0.076 85 ASN 0.852 0.098 86 LYS 0.487 0.140 88 VAL 0.734 0.107 89 LYS 0.870 0.042 91 ASP 0.831 0.065 92 MET 0.781 0.106 93 LEU 0.829 0.115 94 LYS 0.905 0.110 95 GLN 0.955 0.107 96 ASN 0.800 0.085 99 ALA 0.757 0.092 100 SER 0.679 0.088 101 GLY 0.613 0.131 102 VAL 0.638 0.084 103 ARG 0.905 0.077 104 VAL 0.681 0.052 105 GLY 0.898 0.072 106 GLU 0.849 0.089 107 SER 0.723 0.043 109 ASP 0.707 0.062 110 ARG 0.650 0.137 111 THR 0.586 0.151 113 ILE 0.655 0.147 115 ASP 0.819 0.102 116 ILE 0.801 0.110 118 LYS 1.055 0.108 119 GLY 0.812 0.097 123 PHE 0.618 0.119 125 TYR 0.901 0.187 126 SER 0.727 0.150 127 VAL 0.641 0.161 128 GLY 0.724 0.216 130 TYR 0.605 0.117 131 SER 0.615 0.095 134 VAL 0.888 0.096 135 LYS 0.786 0.063 136 ALA 1.012 0.063 137 VAL 0.839 0.052 138 VAL 0.769 0.048 139 THR 0.799 0.035 141 LEU 0.649 0.039 143 ARG 0.737 0.052 144 ASN 0.755 0.056 145 ARG 1.131 0.070 146 VAL 0.708 0.055 147 ASP 0.726 0.053 148 LEU 0.856 0.048 149 LYS 0.932 0.059 150 LEU 0.870 0.046 151 VAL 0.795 0.055 152 PHE 0.984 0.066 153 GLN 0.672 0.063 155 GLY 0.578 0.145 167 GLY 0.664 0.159 168 ASN 0.918 0.238 171 PHE 0.593 0.190 172 THR 0.760 0.153 173 THR 0.951 0.224 174 ASP 0.766 0.133 210 ARG 0.777 0.255 211 SER 0.736 0.224 213 TYR 0.774 0.218 214 LEU 0.722 0.158 215 ASP 0.767 0.252 217 GLY 0.633 0.190 218 TYR 0.842 0.132 219 ALA 0.728 0.139 220 ARG 0.855 0.364 221 PHE 0.753 0.142 222 ASN 0.810 0.109 223 ILE 0.630 0.099 224 ASP 0.929 0.194 225 SER 0.758 0.230 242 ASN 0.814 0.116 243 ILE 1.000 0.139 244 THR 0.805 0.116 245 GLU 0.583 0.128 246 GLY 0.620 0.171 247 ASP 0.966 0.111 249 TYR 0.784 0.069 251 LEU 0.657 0.073 252 SER 0.667 0.214 253 GLY 0.399 0.276 254 VAL 0.674 0.069 256 VAL 0.934 0.101 257 SER 0.510 0.076 258 GLY 0.700 0.094 259 ASN 0.433 0.116 260 LEU 0.638 0.126 262 GLY 0.652 0.179 263 HIS 0.869 0.137 264 SER 0.791 0.128 265 ALA 0.569 0.131 266 GLU 0.648 0.197 267 ILE 0.677 0.180 268 GLU 0.578 0.171 269 GLN 0.595 0.150 270 LEU 0.960 0.263 271 THR 0.612 0.245 272 LYS 0.627 0.118 274 GLU 0.593 0.064 276 GLY 0.431 0.055 277 GLU 0.522 0.034 278 LEU 0.555 0.070 279 TYR 0.642 0.097 280 ASN 0.730 0.082 281 GLY 0.638 0.142 283 LYS 0.670 0.155 284 VAL 0.777 0.147 285 THR 0.908 0.190 286 LYS 0.837 0.125 287 MET 0.970 0.163 288 GLU 0.958 0.202 290 ASP 0.896 0.162 296 GLY 0.542 0.195 297 ARG 0.733 0.162 298 TYR 0.689 0.260 299 GLY 0.498 0.287 300 TYR 0.807 0.130 301 ALA 0.729 0.166 302 TYR 0.844 0.246 304 ARG 0.749 0.111 306 GLN 0.818 0.099 308 MET 0.601 0.110 311 ILE 0.823 0.082 312 ASN 0.819 0.098 313 ASP 0.547 0.104 314 ALA 0.480 0.158 315 ASP 0.384 0.335 316 LYS 0.835 0.197 317 THR 0.774 0.169 318 VAL 0.977 0.117 319 LYS 0.765 0.133 320 LEU 0.845 0.102 321 ARG 0.812 0.117 322 VAL 0.957 0.059 323 ASN 0.715 0.113 326 ALA 0.661 0.153 327 GLY 0.690 0.115 328 ASN 0.564 0.118 329 ARG 0.823 0.076 330 PHE 0.639 0.105 331 TYR 0.847 0.140 333 ARG 0.716 0.132 334 LYS 0.771 0.134 336 ARG 0.677 0.198 337 PHE 0.754 0.069 338 GLU 0.744 0.058 339 GLY 0.521 0.104 346 ALA 0.745 0.179 356 GLU 0.442 0.230 357 GLY 0.651 0.302 359 TRP 0.869 0.126 360 LEU 0.817 0.105 363 ASP 0.913 0.379 364 LEU 0.741 0.188 366 ASP 0.579 0.205 367 GLN 0.659 0.140 370 GLU 0.817 0.098 371 ARG 0.802 0.157 373 ASN 0.861 0.177 374 ARG 0.516 0.092 375 LEU 0.559 0.296 376 GLY 0.611 0.152 377 PHE 0.403 0.297 378 PHE 0.758 0.133 379 GLU 0.503 0.233 380 THR 0.494 0.279 381 VAL 0.815 0.078 382 ASP 0.876 0.115 383 THR 0.527 0.094 386 GLN 0.657 0.106 387 ARG 0.460 0.085 388 VAL 0.685 0.080 390 GLY 0.474 0.143 391 SER 0.671 0.060 393 ASP 0.691 0.182 394 GLN 0.789 0.158 395 VAL 0.778 0.141 396 ASP 0.739 0.122 397 VAL 0.550 0.173 398 VAL 0.883 0.101 400 LYS 0.755 0.091 401 VAL 0.890 0.091 402 LYS 0.663 0.112 403 GLU 0.853 0.190 404 ARG 0.499 0.077 405 ASN 0.283 0.049 406 THR -0.049 -0.161 407 GLY -0.059 -0.106 409 GLY -1.727 0.014 stop_ save_