data_30159 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution-state NMR and SAXS structural ensemble of NPr (1-85) in complex with EIN-Ntr (170-424) ; _BMRB_accession_number 30159 _BMRB_flat_file_name bmr30159.str _Entry_type original _Submission_date 2016-08-19 _Accession_date 2016-08-19 _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 Strickland M. . . 2 Stanley A. M. . 3 Wang G. . . 4 Schwieters C. D. . 5 Buchanan S. . . 6 Peterkofsky A. . . 7 Tjandra N. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 285 "13C chemical shifts" 821 "15N chemical shifts" 285 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-22 update BMRB 'update entry citation' 2016-11-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 30158 'NPr (1-85), apo form' stop_ _Original_release_date 2016-11-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the NPr:EINNtr Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27839951 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Strickland Madeleine . . 2 Stanley 'Ann Marie' M. . 3 Wang Guangshun . . 4 Botos Istvan . . 5 Schwieters Charles D. . 6 Buchanan Susan K. . 7 Peterkofsky Alan . . 8 Tjandra Nico . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 24 _Journal_issue 12 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2127 _Page_last 2137 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Phosphocarrier protein NPr (E.C.2.7.11.-), Phosphoenolpyruvate-protein phosphotransferase PtsP (E.C.2.7.3.9)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _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 9254.570 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MTVKQTVEITNKLGMHARPA MKLFELMQGFDAEVLLRNDE GTEAEANSVIALLMLDSAKG RQIEVEATGPQEEEALAAVI ALFNS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 VAL 4 LYS 5 GLN 6 THR 7 VAL 8 GLU 9 ILE 10 THR 11 ASN 12 LYS 13 LEU 14 GLY 15 MET 16 HIS 17 ALA 18 ARG 19 PRO 20 ALA 21 MET 22 LYS 23 LEU 24 PHE 25 GLU 26 LEU 27 MET 28 GLN 29 GLY 30 PHE 31 ASP 32 ALA 33 GLU 34 VAL 35 LEU 36 LEU 37 ARG 38 ASN 39 ASP 40 GLU 41 GLY 42 THR 43 GLU 44 ALA 45 GLU 46 ALA 47 ASN 48 SER 49 VAL 50 ILE 51 ALA 52 LEU 53 LEU 54 MET 55 LEU 56 ASP 57 SER 58 ALA 59 LYS 60 GLY 61 ARG 62 GLN 63 ILE 64 GLU 65 VAL 66 GLU 67 ALA 68 THR 69 GLY 70 PRO 71 GLN 72 GLU 73 GLU 74 GLU 75 ALA 76 LEU 77 ALA 78 ALA 79 VAL 80 ILE 81 ALA 82 LEU 83 PHE 84 ASN 85 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 28380.070 _Mol_thiol_state 'not present' _Details ; This molecule was mutated at position 356 from histidine to glutamine. In E. coli, when the native histidine is present, the sample can be phosphorylated. It was mutated to provide a homogeneous sample. Additionally, it comprises residues 170-424 of the larger Enzyme I-Ntr molecule. Residue 169 is mutated to glycine due to TEV protease cleavage. ; _Residue_count 256 _Mol_residue_sequence ; GRIRALPAAPGVAIAEGWQD ATLPLMEQVYQASTLDPALE RERLTGALEEAANEFRRYSK RFAAGAQKETAAIFDLYSHL LSDTRLRRELFAEVDKGSVA EWAVKTVIEKFAEQFAALSD NYLKERAGDLRALGQRLLFH LDDANQGPNAWPERFILVAD ELSATTLAELPQDRLVGVVV RDGAANSQAAIMVRALGIPT VMGADIQPSVLHRRTLIVDG YRGELLVDPEPVLLQEYQRL ISEEIELSRLAEDDVN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 169 GLY 2 170 ARG 3 171 ILE 4 172 ARG 5 173 ALA 6 174 LEU 7 175 PRO 8 176 ALA 9 177 ALA 10 178 PRO 11 179 GLY 12 180 VAL 13 181 ALA 14 182 ILE 15 183 ALA 16 184 GLU 17 185 GLY 18 186 TRP 19 187 GLN 20 188 ASP 21 189 ALA 22 190 THR 23 191 LEU 24 192 PRO 25 193 LEU 26 194 MET 27 195 GLU 28 196 GLN 29 197 VAL 30 198 TYR 31 199 GLN 32 200 ALA 33 201 SER 34 202 THR 35 203 LEU 36 204 ASP 37 205 PRO 38 206 ALA 39 207 LEU 40 208 GLU 41 209 ARG 42 210 GLU 43 211 ARG 44 212 LEU 45 213 THR 46 214 GLY 47 215 ALA 48 216 LEU 49 217 GLU 50 218 GLU 51 219 ALA 52 220 ALA 53 221 ASN 54 222 GLU 55 223 PHE 56 224 ARG 57 225 ARG 58 226 TYR 59 227 SER 60 228 LYS 61 229 ARG 62 230 PHE 63 231 ALA 64 232 ALA 65 233 GLY 66 234 ALA 67 235 GLN 68 236 LYS 69 237 GLU 70 238 THR 71 239 ALA 72 240 ALA 73 241 ILE 74 242 PHE 75 243 ASP 76 244 LEU 77 245 TYR 78 246 SER 79 247 HIS 80 248 LEU 81 249 LEU 82 250 SER 83 251 ASP 84 252 THR 85 253 ARG 86 254 LEU 87 255 ARG 88 256 ARG 89 257 GLU 90 258 LEU 91 259 PHE 92 260 ALA 93 261 GLU 94 262 VAL 95 263 ASP 96 264 LYS 97 265 GLY 98 266 SER 99 267 VAL 100 268 ALA 101 269 GLU 102 270 TRP 103 271 ALA 104 272 VAL 105 273 LYS 106 274 THR 107 275 VAL 108 276 ILE 109 277 GLU 110 278 LYS 111 279 PHE 112 280 ALA 113 281 GLU 114 282 GLN 115 283 PHE 116 284 ALA 117 285 ALA 118 286 LEU 119 287 SER 120 288 ASP 121 289 ASN 122 290 TYR 123 291 LEU 124 292 LYS 125 293 GLU 126 294 ARG 127 295 ALA 128 296 GLY 129 297 ASP 130 298 LEU 131 299 ARG 132 300 ALA 133 301 LEU 134 302 GLY 135 303 GLN 136 304 ARG 137 305 LEU 138 306 LEU 139 307 PHE 140 308 HIS 141 309 LEU 142 310 ASP 143 311 ASP 144 312 ALA 145 313 ASN 146 314 GLN 147 315 GLY 148 316 PRO 149 317 ASN 150 318 ALA 151 319 TRP 152 320 PRO 153 321 GLU 154 322 ARG 155 323 PHE 156 324 ILE 157 325 LEU 158 326 VAL 159 327 ALA 160 328 ASP 161 329 GLU 162 330 LEU 163 331 SER 164 332 ALA 165 333 THR 166 334 THR 167 335 LEU 168 336 ALA 169 337 GLU 170 338 LEU 171 339 PRO 172 340 GLN 173 341 ASP 174 342 ARG 175 343 LEU 176 344 VAL 177 345 GLY 178 346 VAL 179 347 VAL 180 348 VAL 181 349 ARG 182 350 ASP 183 351 GLY 184 352 ALA 185 353 ALA 186 354 ASN 187 355 SER 188 356 GLN 189 357 ALA 190 358 ALA 191 359 ILE 192 360 MET 193 361 VAL 194 362 ARG 195 363 ALA 196 364 LEU 197 365 GLY 198 366 ILE 199 367 PRO 200 368 THR 201 369 VAL 202 370 MET 203 371 GLY 204 372 ALA 205 373 ASP 206 374 ILE 207 375 GLN 208 376 PRO 209 377 SER 210 378 VAL 211 379 LEU 212 380 HIS 213 381 ARG 214 382 ARG 215 383 THR 216 384 LEU 217 385 ILE 218 386 VAL 219 387 ASP 220 388 GLY 221 389 TYR 222 390 ARG 223 391 GLY 224 392 GLU 225 393 LEU 226 394 LEU 227 395 VAL 228 396 ASP 229 397 PRO 230 398 GLU 231 399 PRO 232 400 VAL 233 401 LEU 234 402 LEU 235 403 GLN 236 404 GLU 237 405 TYR 238 406 GLN 239 407 ARG 240 408 LEU 241 409 ILE 242 410 SER 243 411 GLU 244 412 GLU 245 413 ILE 246 414 GLU 247 415 LEU 248 416 SER 249 417 ARG 250 418 LEU 251 419 ALA 252 420 GLU 253 421 ASP 254 422 ASP 255 423 VAL 256 424 ASN 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 _Strain _Gene_mnemonic $entity_1 'E. coli' 83334 Bacteria . Escherichia coli . 'ptsO, Z4569, ECs4085' $entity_2 'E. coli' 83333 Bacteria . Escherichia coli K12 'ptsP, ygdF, ygdO, b2829, JW2797' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _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 ER2566 . Plasmid $entity_2 'recombinant technology' . Escherichia coli ER2566 Plasmid pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-13C; U-15N; U-2H] EIN-Ntr, 240 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 200 uM '[U-13C; U-15N; U-2H]' $entity_1 240 uM [U-2H] TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '240 uM [U-2H] EIN-Ntr, 200 uM [U-13C; U-15N; U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 240 uM [U-2H] $entity_1 200 uM '[U-13C; U-15N; U-2H]' TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type 'filamentous virus' _Details ; 200 uM [U-13C; U-15N; U-2H] EIN-Ntr, 240 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 10 mg/mL Pf1 phage, 93% H2O/7% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 200 uM '[U-13C; U-15N; U-2H]' $entity_1 240 uM [U-2H] 'Pf1 phage' 10 mg/mL 'natural abundance' TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type 'filamentous virus' _Details ; 240 uM [U-2H] EIN-Ntr, 200 uM [U-13C; U-15N; U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 10 mg/mL Pf1 phage, 93% H2O/7% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 240 uM [U-2H] $entity_1 200 uM '[U-13C; U-15N; U-2H]' 'Pf1 phage' 10 mg/mL 'natural abundance' TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-13C; U-15N; U-2H] EIN-Ntr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 200 uM '[U-13C; U-15N; U-2H]' TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-13C; U-15N; U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM na EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM na $entity_1 200 uM '[U-13C; U-15N; U-2H]' TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details '100 uM [U-13C; U-15N; U-2H] EIN-Ntr, 100 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 100 uM '[U-13C; U-15N; U-2H]' $entity_1 100 uM [U-2H] TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-15N; U-2H] EIN-Ntr, 240 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 200 uM '[U-15N; U-2H]' $entity_1 240 uM [U-2H] TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-15N; U-2H] EIN-Ntr, 240 uM [U-2H] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 200 uM '[U-15N; U-2H]' $entity_1 240 uM [U-2H] TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_10 _Saveframe_category sample _Sample_type solution _Details '240 uM [U-2H] EIN-Ntr, 200 uM [U-2H; U-15N] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 240 uM [U-2H] $entity_1 200 uM '[U-2H; U-15N]' TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_11 _Saveframe_category sample _Sample_type solution _Details '240 uM [U-2H] EIN-Ntr, 200 uM [U-2H; U-15N] NPr, 10 mM TRIS, 100 mM sodium chloride, 0.5 mM EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 0.5 mM 'natural abundance' $entity_2 240 uM [U-2H] $entity_1 200 uM '[U-2H; U-15N]' TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ANALYSIS _Version 2.4.2 loop_ _Task 'structure solution' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name GAUSSIAN _Version 9 loop_ _Task 'structure solution' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPIPE _Version 8.2 loop_ _Task 'structure solution' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS-N _Version 4.12 loop_ _Task 'structure solution' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Task 'structure solution' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.37.7 loop_ _Vendor _Address _Electronic_address 'SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details Cryoprobe save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details Cryoprobe save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details Cryoprobe save_ ############################# # NMR applied experiments # ############################# save_3D_HN(CO)CACB_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB TROSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO TROSY' _Sample_label $sample_1 save_ save_3D_HNCACB_TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB TROSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_TROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY TROSY' _Sample_label $sample_1 save_ save_3D_HNCO_TROSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO TROSY' _Sample_label $sample_1 save_ save_3D_HNCA_TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA TROSY' _Sample_label $sample_1 save_ save_3D_HNCA_TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA TROSY' _Sample_label $sample_5 save_ save_3D_1H-15N_NOESY_TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY TROSY' _Sample_label $sample_2 save_ save_3D_HN(CO)CACB_TROSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB TROSY' _Sample_label $sample_2 save_ save_3D_HNCACB_TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB TROSY' _Sample_label $sample_2 save_ save_3D_HNCA_TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA TROSY' _Sample_label $sample_2 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_6 save_ save_ARTSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name ARTSY _Sample_label $sample_1 save_ save_ARTSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name ARTSY _Sample_label $sample_2 save_ save_ARTSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name ARTSY _Sample_label $sample_3 save_ save_ARTSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name ARTSY _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_TROSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC TROSY' _Sample_label $sample_8 save_ save_2D_1H-15N_HSQC_TROSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC TROSY' _Sample_label $sample_9 save_ save_2D_1H-15N_HSQC_TROSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC TROSY' _Sample_label $sample_10 save_ save_2D_1H-15N_HSQC_TROSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC TROSY' _Sample_label $sample_11 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' 108 . mM pH 7.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HN(CO)CACB TROSY' '3D HN(CA)CO TROSY' '3D HNCACB TROSY' '3D 1H-15N NOESY TROSY' '3D HNCO TROSY' '3D HNCA TROSY' '3D HNCACB' ARTSY '2D 1H-15N HSQC TROSY' stop_ loop_ _Sample_label $sample_1 $sample_5 $sample_2 $sample_6 $sample_3 $sample_4 $sample_8 $sample_9 $sample_10 $sample_11 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 2 2 THR CA C 62.170 0.092 1 2 2 2 THR CB C 69.341 0.092 1 3 3 3 VAL H H 8.985 0.006 1 4 3 3 VAL CA C 59.202 0.092 1 5 3 3 VAL CB C 34.107 0.092 1 6 3 3 VAL N N 123.198 0.043 1 7 4 4 LYS H H 8.301 0.006 1 8 4 4 LYS CA C 54.324 0.092 1 9 4 4 LYS CB C 36.061 0.092 1 10 4 4 LYS N N 120.290 0.043 1 11 5 5 GLN H H 8.795 0.006 1 12 5 5 GLN CA C 55.627 0.092 1 13 5 5 GLN CB C 32.842 0.092 1 14 5 5 GLN N N 122.056 0.043 1 15 6 6 THR H H 8.599 0.006 1 16 6 6 THR CA C 61.625 0.092 1 17 6 6 THR CB C 69.460 0.092 1 18 6 6 THR N N 120.747 0.043 1 19 7 7 VAL H H 9.219 0.006 1 20 7 7 VAL CA C 59.374 0.092 1 21 7 7 VAL CB C 34.328 0.092 1 22 7 7 VAL N N 124.911 0.043 1 23 8 8 GLU H H 8.416 0.006 1 24 8 8 GLU CA C 55.009 0.092 1 25 8 8 GLU CB C 29.936 0.092 1 26 8 8 GLU N N 125.398 0.043 1 27 9 9 ILE H H 8.377 0.006 1 28 9 9 ILE CA C 60.181 0.092 1 29 9 9 ILE N N 124.896 0.043 1 30 10 10 THR H H 8.347 0.006 1 31 10 10 THR CA C 61.269 0.092 1 32 10 10 THR CB C 69.552 0.092 1 33 10 10 THR N N 119.837 0.043 1 34 12 12 LYS H H 8.345 0.006 1 35 12 12 LYS N N 121.780 0.043 1 36 13 13 LEU CA C 54.610 0.092 1 37 13 13 LEU CB C 41.268 0.092 1 38 14 14 GLY H H 8.191 0.006 1 39 14 14 GLY N N 108.412 0.043 1 40 16 16 HIS CA C 56.019 0.092 1 41 16 16 HIS CB C 29.493 0.092 1 42 17 17 ALA H H 8.004 0.006 1 43 17 17 ALA N N 123.807 0.043 1 44 21 21 MET H H 7.857 0.006 1 45 21 21 MET N N 115.772 0.043 1 46 25 25 GLU H H 8.148 0.006 1 47 25 25 GLU N N 118.237 0.043 1 48 26 26 LEU H H 8.261 0.006 1 49 26 26 LEU CA C 57.299 0.092 1 50 26 26 LEU CB C 42.065 0.092 1 51 26 26 LEU N N 121.417 0.043 1 52 27 27 MET H H 8.021 0.006 1 53 27 27 MET CA C 55.188 0.092 1 54 27 27 MET N N 115.196 0.043 1 55 28 28 GLN H H 7.325 0.006 1 56 28 28 GLN CA C 57.298 0.092 1 57 28 28 GLN N N 118.267 0.043 1 58 29 29 GLY H H 7.479 0.006 1 59 29 29 GLY CA C 44.387 0.092 1 60 29 29 GLY N N 103.824 0.043 1 61 30 30 PHE H H 7.246 0.006 1 62 30 30 PHE CA C 56.394 0.092 1 63 30 30 PHE CB C 42.591 0.092 1 64 30 30 PHE N N 116.439 0.043 1 65 31 31 ASP H H 9.332 0.006 1 66 31 31 ASP CA C 51.612 0.092 1 67 31 31 ASP CB C 37.758 0.092 1 68 31 31 ASP N N 123.405 0.043 1 69 32 32 ALA H H 7.679 0.006 1 70 32 32 ALA CA C 51.311 0.092 1 71 32 32 ALA CB C 19.335 0.092 1 72 32 32 ALA N N 122.193 0.043 1 73 33 33 GLU H H 8.730 0.006 1 74 33 33 GLU CA C 54.807 0.092 1 75 33 33 GLU CB C 30.311 0.092 1 76 33 33 GLU N N 121.244 0.043 1 77 35 35 LEU H H 9.307 0.006 1 78 35 35 LEU N N 130.782 0.043 1 79 37 37 ARG H H 9.039 0.006 1 80 37 37 ARG CA C 53.790 0.092 1 81 37 37 ARG CB C 33.242 0.092 1 82 37 37 ARG N N 120.689 0.043 1 83 38 38 ASN H H 8.366 0.006 1 84 38 38 ASN CA C 50.373 0.092 1 85 38 38 ASN CB C 39.136 0.092 1 86 38 38 ASN N N 122.289 0.043 1 87 39 39 ASP H H 8.818 0.006 1 88 39 39 ASP CA C 55.592 0.092 1 89 39 39 ASP CB C 39.668 0.092 1 90 39 39 ASP N N 118.075 0.043 1 91 40 40 GLU H H 7.563 0.006 1 92 40 40 GLU CA C 55.498 0.092 1 93 40 40 GLU CB C 29.167 0.092 1 94 40 40 GLU N N 118.040 0.043 1 95 41 41 GLY H H 8.106 0.006 1 96 41 41 GLY CA C 44.591 0.092 1 97 41 41 GLY N N 108.215 0.043 1 98 42 42 THR H H 7.941 0.006 1 99 42 42 THR CA C 63.045 0.092 1 100 42 42 THR CB C 67.818 0.092 1 101 42 42 THR N N 121.453 0.043 1 102 43 43 GLU H H 8.520 0.006 1 103 43 43 GLU CA C 53.941 0.092 1 104 43 43 GLU CB C 32.207 0.092 1 105 43 43 GLU N N 125.709 0.043 1 106 58 58 ALA H H 7.810 0.006 1 107 58 58 ALA N N 123.877 0.043 1 108 61 61 ARG CA C 55.598 0.092 1 109 62 62 GLN H H 8.183 0.006 1 110 62 62 GLN CA C 54.669 0.092 1 111 62 62 GLN CB C 30.491 0.092 1 112 62 62 GLN N N 118.237 0.043 1 113 63 63 ILE H H 8.842 0.006 1 114 63 63 ILE CA C 57.933 0.092 1 115 63 63 ILE CB C 40.474 0.092 1 116 63 63 ILE N N 122.493 0.043 1 117 64 64 GLU CA C 54.848 0.092 1 118 64 64 GLU CB C 31.223 0.092 1 119 65 65 VAL H H 8.825 0.006 1 120 65 65 VAL CA C 60.332 0.092 1 121 65 65 VAL CB C 31.888 0.092 1 122 65 65 VAL N N 126.607 0.043 1 123 66 66 GLU H H 9.033 0.006 1 124 66 66 GLU CA C 53.590 0.092 1 125 66 66 GLU CB C 32.610 0.092 1 126 66 66 GLU N N 126.716 0.043 1 127 67 67 ALA H H 9.187 0.006 1 128 67 67 ALA CA C 49.689 0.092 1 129 67 67 ALA CB C 23.427 0.092 1 130 67 67 ALA N N 127.441 0.043 1 131 68 68 THR H H 8.703 0.006 1 132 68 68 THR CA C 60.836 0.092 1 133 68 68 THR CB C 71.618 0.092 1 134 68 68 THR N N 116.840 0.043 1 135 69 69 GLY H H 10.244 0.006 1 136 69 69 GLY CA C 44.494 0.092 1 137 69 69 GLY N N 119.836 0.043 1 138 70 70 PRO CA C 65.443 0.092 1 139 71 71 GLN H H 8.215 0.006 1 140 71 71 GLN CA C 53.747 0.092 1 141 71 71 GLN CB C 28.287 0.092 1 142 71 71 GLN N N 112.457 0.043 1 143 72 72 GLU H H 7.814 0.006 1 144 72 72 GLU CA C 59.167 0.092 1 145 72 72 GLU CB C 26.257 0.092 1 146 72 72 GLU N N 118.541 0.043 1 147 73 73 GLU H H 8.407 0.006 1 148 73 73 GLU CA C 60.095 0.092 1 149 73 73 GLU CB C 28.164 0.092 1 150 73 73 GLU N N 119.794 0.043 1 151 74 74 GLU H H 9.013 0.006 1 152 74 74 GLU CA C 59.132 0.092 1 153 74 74 GLU CB C 28.352 0.092 1 154 74 74 GLU N N 122.087 0.043 1 155 75 75 ALA H H 8.276 0.006 1 156 75 75 ALA CA C 53.734 0.092 1 157 75 75 ALA CB C 17.018 0.092 1 158 75 75 ALA N N 123.021 0.043 1 159 76 76 LEU H H 7.722 0.006 1 160 76 76 LEU CA C 58.054 0.092 1 161 76 76 LEU CB C 40.636 0.092 1 162 76 76 LEU N N 117.226 0.043 1 163 77 77 ALA H H 7.469 0.006 1 164 77 77 ALA CA C 54.445 0.092 1 165 77 77 ALA CB C 16.764 0.092 1 166 77 77 ALA N N 117.905 0.043 1 167 78 78 ALA H H 7.598 0.006 1 168 78 78 ALA CA C 54.265 0.092 1 169 78 78 ALA CB C 18.173 0.092 1 170 78 78 ALA N N 121.166 0.043 1 171 79 79 VAL H H 8.011 0.006 1 172 79 79 VAL CA C 66.211 0.092 1 173 79 79 VAL CB C 30.701 0.092 1 174 79 79 VAL N N 120.396 0.043 1 175 80 80 ILE H H 8.284 0.006 1 176 80 80 ILE CA C 64.183 0.092 1 177 80 80 ILE CB C 35.855 0.092 1 178 80 80 ILE N N 119.247 0.043 1 179 81 81 ALA H H 7.755 0.006 1 180 81 81 ALA CA C 54.113 0.092 1 181 81 81 ALA CB C 17.111 0.092 1 182 81 81 ALA N N 120.197 0.043 1 183 82 82 LEU H H 7.584 0.006 1 184 82 82 LEU CA C 57.184 0.092 1 185 82 82 LEU CB C 40.262 0.092 1 186 82 82 LEU N N 120.189 0.043 1 187 83 83 PHE H H 7.772 0.006 1 188 83 83 PHE CA C 59.173 0.092 1 189 83 83 PHE N N 116.470 0.043 1 190 84 84 ASN H H 8.079 0.006 1 191 84 84 ASN CA C 53.007 0.092 1 192 84 84 ASN CB C 39.323 0.092 1 193 84 84 ASN N N 118.891 0.043 1 194 85 85 SER H H 7.633 0.006 1 195 85 85 SER CA C 60.352 0.092 1 196 85 85 SER CB C 64.661 0.092 1 197 85 85 SER N N 121.808 0.043 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HN(CO)CACB TROSY' '3D HN(CA)CO TROSY' '3D HNCACB TROSY' '3D 1H-15N NOESY TROSY' '3D HNCO TROSY' '3D HNCA TROSY' '3D HNCACB' ARTSY '2D 1H-15N HSQC TROSY' stop_ loop_ _Sample_label $sample_1 $sample_5 $sample_2 $sample_6 $sample_3 $sample_4 $sample_8 $sample_9 $sample_10 $sample_11 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 170 2 ARG C C 175.091 0.033 1 2 170 2 ARG CA C 55.395 0.033 1 3 170 2 ARG CB C 31.434 0.033 1 4 171 3 ILE H H 9.371 0.005 1 5 171 3 ILE C C 174.795 0.033 1 6 171 3 ILE CA C 59.845 0.033 1 7 171 3 ILE CB C 39.531 0.033 1 8 171 3 ILE N N 127.719 0.036 1 9 172 4 ARG H H 8.682 0.005 1 10 172 4 ARG C C 174.907 0.033 1 11 172 4 ARG CA C 55.945 0.033 1 12 172 4 ARG CB C 29.595 0.033 1 13 172 4 ARG N N 126.931 0.036 1 14 173 5 ALA H H 8.508 0.005 1 15 173 5 ALA C C 174.592 0.033 1 16 173 5 ALA CA C 50.905 0.033 1 17 173 5 ALA CB C 19.440 0.033 1 18 173 5 ALA N N 129.253 0.036 1 19 174 6 LEU H H 8.797 0.005 1 20 174 6 LEU C C 175.942 0.033 1 21 174 6 LEU CA C 51.719 0.033 1 22 174 6 LEU CB C 41.764 0.033 1 23 174 6 LEU N N 120.917 0.036 1 24 175 7 PRO C C 175.685 0.033 1 25 175 7 PRO CA C 62.420 0.033 1 26 175 7 PRO CB C 30.518 0.033 1 27 176 8 ALA H H 8.166 0.005 1 28 176 8 ALA C C 176.155 0.033 1 29 176 8 ALA CA C 52.273 0.033 1 30 176 8 ALA CB C 19.813 0.033 1 31 176 8 ALA N N 126.306 0.036 1 32 177 9 ALA H H 7.876 0.005 1 33 177 9 ALA C C 174.556 0.033 1 34 177 9 ALA CA C 50.332 0.033 1 35 177 9 ALA CB C 19.497 0.033 1 36 177 9 ALA N N 119.901 0.036 1 37 179 11 GLY C C 171.425 0.033 1 38 179 11 GLY CA C 43.490 0.033 1 39 180 12 VAL H H 8.362 0.005 1 40 180 12 VAL C C 174.373 0.033 1 41 180 12 VAL CA C 59.915 0.033 1 42 180 12 VAL CB C 34.375 0.033 1 43 180 12 VAL N N 117.822 0.036 1 44 181 13 ALA H H 8.516 0.005 1 45 181 13 ALA C C 174.478 0.033 1 46 181 13 ALA CA C 50.610 0.033 1 47 181 13 ALA CB C 22.998 0.033 1 48 181 13 ALA N N 126.259 0.036 1 49 182 14 ILE H H 8.511 0.005 1 50 182 14 ILE C C 175.681 0.033 1 51 182 14 ILE CA C 59.907 0.033 1 52 182 14 ILE CB C 39.657 0.033 1 53 182 14 ILE N N 120.285 0.036 1 54 183 15 ALA H H 8.813 0.005 1 55 183 15 ALA C C 174.544 0.033 1 56 183 15 ALA CA C 51.026 0.033 1 57 183 15 ALA CB C 20.656 0.033 1 58 183 15 ALA N N 126.703 0.036 1 59 184 16 GLU H H 8.038 0.005 1 60 184 16 GLU C C 177.139 0.033 1 61 184 16 GLU CA C 55.106 0.033 1 62 184 16 GLU CB C 30.903 0.033 1 63 184 16 GLU N N 118.285 0.036 1 64 185 17 GLY H H 9.379 0.005 1 65 185 17 GLY C C 174.506 0.033 1 66 185 17 GLY CA C 45.463 0.033 1 67 185 17 GLY N N 110.038 0.036 1 68 186 18 TRP H H 9.499 0.005 1 69 186 18 TRP C C 174.176 0.033 1 70 186 18 TRP CA C 57.317 0.033 1 71 186 18 TRP N N 129.216 0.036 1 72 187 19 GLN H H 10.203 0.005 1 73 187 19 GLN C C 173.970 0.033 1 74 187 19 GLN CA C 53.914 0.033 1 75 187 19 GLN CB C 27.999 0.033 1 76 187 19 GLN N N 131.560 0.036 1 77 188 20 ASP H H 8.141 0.005 1 78 188 20 ASP C C 175.983 0.033 1 79 188 20 ASP CA C 53.608 0.033 1 80 188 20 ASP CB C 40.712 0.033 1 81 188 20 ASP N N 122.731 0.036 1 82 189 21 ALA H H 7.953 0.005 1 83 189 21 ALA C C 177.645 0.033 1 84 189 21 ALA CA C 51.472 0.033 1 85 189 21 ALA CB C 18.237 0.033 1 86 189 21 ALA N N 129.558 0.036 1 87 190 22 THR H H 8.040 0.005 1 88 190 22 THR C C 174.614 0.033 1 89 190 22 THR CA C 63.510 0.033 1 90 190 22 THR CB C 68.563 0.033 1 91 190 22 THR N N 115.671 0.036 1 92 191 23 LEU H H 8.278 0.005 1 93 191 23 LEU C C 175.527 0.033 1 94 191 23 LEU CA C 52.575 0.033 1 95 191 23 LEU CB C 41.228 0.033 1 96 191 23 LEU N N 128.163 0.036 1 97 192 24 PRO C C 177.007 0.033 1 98 192 24 PRO CA C 61.936 0.033 1 99 192 24 PRO CB C 29.646 0.033 1 100 193 25 LEU H H 8.356 0.005 1 101 193 25 LEU C C 179.652 0.033 1 102 193 25 LEU CA C 56.365 0.033 1 103 193 25 LEU CB C 41.370 0.033 1 104 193 25 LEU N N 123.255 0.036 1 105 194 26 MET H H 8.976 0.005 1 106 194 26 MET C C 178.019 0.033 1 107 194 26 MET CA C 57.480 0.033 1 108 194 26 MET CB C 31.497 0.033 1 109 194 26 MET N N 119.165 0.036 1 110 195 27 GLU H H 8.272 0.005 1 111 195 27 GLU C C 176.924 0.033 1 112 195 27 GLU CA C 57.295 0.033 1 113 195 27 GLU CB C 28.755 0.033 1 114 195 27 GLU N N 116.949 0.036 1 115 196 28 GLN H H 7.466 0.005 1 116 196 28 GLN C C 175.217 0.033 1 117 196 28 GLN CA C 54.726 0.033 1 118 196 28 GLN CB C 28.486 0.033 1 119 196 28 GLN N N 116.273 0.036 1 120 197 29 VAL H H 7.124 0.005 1 121 197 29 VAL C C 174.705 0.033 1 122 197 29 VAL CA C 62.286 0.033 1 123 197 29 VAL CB C 31.938 0.033 1 124 197 29 VAL N N 119.415 0.036 1 125 198 30 TYR H H 7.898 0.005 1 126 198 30 TYR C C 174.328 0.033 1 127 198 30 TYR CA C 55.697 0.033 1 128 198 30 TYR CB C 39.486 0.033 1 129 198 30 TYR N N 124.506 0.036 1 130 199 31 GLN H H 7.657 0.005 1 131 199 31 GLN C C 174.441 0.033 1 132 199 31 GLN N N 122.768 0.036 1 133 200 32 ALA C C 176.199 0.033 1 134 200 32 ALA CA C 51.336 0.033 1 135 200 32 ALA CB C 20.554 0.033 1 136 201 33 SER H H 8.538 0.005 1 137 201 33 SER C C 173.994 0.033 1 138 201 33 SER CA C 56.875 0.033 1 139 201 33 SER CB C 64.710 0.033 1 140 201 33 SER N N 116.272 0.036 1 141 202 34 THR H H 8.707 0.005 1 142 202 34 THR C C 173.332 0.033 1 143 202 34 THR CA C 59.123 0.033 1 144 202 34 THR CB C 68.614 0.033 1 145 202 34 THR N N 115.740 0.036 1 146 203 35 LEU H H 8.513 0.005 1 147 203 35 LEU C C 177.035 0.033 1 148 203 35 LEU CA C 54.455 0.033 1 149 203 35 LEU CB C 41.263 0.033 1 150 203 35 LEU N N 124.818 0.036 1 151 204 36 ASP H H 8.563 0.005 1 152 204 36 ASP C C 173.546 0.033 1 153 204 36 ASP CA C 51.010 0.033 1 154 204 36 ASP CB C 41.183 0.033 1 155 204 36 ASP N N 119.512 0.036 1 156 205 37 PRO C C 178.338 0.033 1 157 205 37 PRO CA C 64.416 0.033 1 158 205 37 PRO CB C 31.400 0.033 1 159 206 38 ALA H H 8.128 0.005 1 160 206 38 ALA C C 181.190 0.033 1 161 206 38 ALA CA C 55.136 0.033 1 162 206 38 ALA CB C 17.140 0.033 1 163 206 38 ALA N N 120.121 0.036 1 164 207 39 LEU H H 7.492 0.005 1 165 207 39 LEU C C 180.085 0.033 1 166 207 39 LEU CA C 56.997 0.033 1 167 207 39 LEU CB C 40.505 0.033 1 168 207 39 LEU N N 120.065 0.036 1 169 208 40 GLU H H 7.448 0.005 1 170 208 40 GLU C C 179.278 0.033 1 171 208 40 GLU CA C 58.300 0.033 1 172 208 40 GLU CB C 28.834 0.033 1 173 208 40 GLU N N 118.571 0.036 1 174 209 41 ARG H H 8.612 0.005 1 175 209 41 ARG C C 179.546 0.033 1 176 209 41 ARG CA C 60.119 0.033 1 177 209 41 ARG CB C 29.689 0.033 1 178 209 41 ARG N N 119.211 0.036 1 179 210 42 GLU H H 7.771 0.005 1 180 210 42 GLU C C 179.783 0.033 1 181 210 42 GLU CA C 59.201 0.033 1 182 210 42 GLU CB C 28.518 0.033 1 183 210 42 GLU N N 122.047 0.036 1 184 211 43 ARG H H 8.433 0.005 1 185 211 43 ARG C C 179.910 0.033 1 186 211 43 ARG CA C 59.100 0.033 1 187 211 43 ARG CB C 29.621 0.033 1 188 211 43 ARG N N 120.837 0.036 1 189 212 44 LEU H H 8.458 0.005 1 190 212 44 LEU C C 177.754 0.033 1 191 212 44 LEU CA C 57.615 0.033 1 192 212 44 LEU CB C 40.937 0.033 1 193 212 44 LEU N N 119.922 0.036 1 194 213 45 THR H H 8.687 0.005 1 195 213 45 THR C C 176.784 0.033 1 196 213 45 THR CA C 67.721 0.033 1 197 213 45 THR CB C 74.130 0.033 1 198 213 45 THR N N 115.922 0.036 1 199 214 46 GLY H H 8.090 0.005 1 200 214 46 GLY C C 175.645 0.033 1 201 214 46 GLY CA C 46.913 0.033 1 202 214 46 GLY N N 107.626 0.036 1 203 215 47 ALA H H 7.815 0.005 1 204 215 47 ALA C C 179.158 0.033 1 205 215 47 ALA CA C 54.957 0.033 1 206 215 47 ALA CB C 17.602 0.033 1 207 215 47 ALA N N 124.699 0.036 1 208 216 48 LEU H H 8.526 0.005 1 209 216 48 LEU C C 179.886 0.033 1 210 216 48 LEU CA C 58.111 0.033 1 211 216 48 LEU CB C 40.823 0.033 1 212 216 48 LEU N N 117.501 0.036 1 213 217 49 GLU H H 7.912 0.005 1 214 217 49 GLU C C 178.976 0.033 1 215 217 49 GLU CA C 58.503 0.033 1 216 217 49 GLU CB C 28.523 0.033 1 217 217 49 GLU N N 119.113 0.036 1 218 218 50 GLU H H 8.141 0.005 1 219 218 50 GLU C C 179.982 0.033 1 220 218 50 GLU CA C 58.185 0.033 1 221 218 50 GLU CB C 27.702 0.033 1 222 218 50 GLU N N 119.618 0.036 1 223 219 51 ALA H H 8.258 0.005 1 224 219 51 ALA C C 177.540 0.033 1 225 219 51 ALA CA C 54.004 0.033 1 226 219 51 ALA CB C 16.810 0.033 1 227 219 51 ALA N N 121.603 0.036 1 228 220 52 ALA H H 7.928 0.005 1 229 220 52 ALA C C 180.879 0.033 1 230 220 52 ALA CA C 54.933 0.033 1 231 220 52 ALA CB C 17.044 0.033 1 232 220 52 ALA N N 119.191 0.036 1 233 221 53 ASN H H 8.069 0.005 1 234 221 53 ASN C C 177.768 0.033 1 235 221 53 ASN CA C 55.419 0.033 1 236 221 53 ASN CB C 37.285 0.033 1 237 221 53 ASN N N 116.555 0.036 1 238 222 54 GLU H H 7.732 0.005 1 239 222 54 GLU C C 177.178 0.033 1 240 222 54 GLU CA C 58.783 0.033 1 241 222 54 GLU CB C 28.204 0.033 1 242 222 54 GLU N N 121.939 0.036 1 243 223 55 PHE H H 7.932 0.005 1 244 223 55 PHE C C 178.667 0.033 1 245 223 55 PHE CA C 59.350 0.033 1 246 223 55 PHE CB C 36.854 0.033 1 247 223 55 PHE N N 116.642 0.036 1 248 224 56 ARG H H 8.033 0.005 1 249 224 56 ARG C C 179.047 0.033 1 250 224 56 ARG CA C 58.992 0.033 1 251 224 56 ARG CB C 29.269 0.033 1 252 224 56 ARG N N 118.574 0.036 1 253 225 57 ARG H H 7.705 0.005 1 254 225 57 ARG C C 180.305 0.033 1 255 225 57 ARG CA C 59.358 0.033 1 256 225 57 ARG CB C 28.949 0.033 1 257 225 57 ARG N N 120.144 0.036 1 258 226 58 TYR H H 7.966 0.005 1 259 226 58 TYR C C 177.942 0.033 1 260 226 58 TYR CA C 57.854 0.033 1 261 226 58 TYR CB C 35.059 0.033 1 262 226 58 TYR N N 119.787 0.036 1 263 227 59 SER H H 8.466 0.005 1 264 227 59 SER C C 176.633 0.033 1 265 227 59 SER CA C 62.209 0.033 1 266 227 59 SER N N 114.144 0.036 1 267 228 60 LYS H H 7.980 0.005 1 268 228 60 LYS C C 179.250 0.033 1 269 228 60 LYS CA C 58.897 0.033 1 270 228 60 LYS CB C 31.472 0.033 1 271 228 60 LYS N N 117.711 0.036 1 272 229 61 ARG H H 7.770 0.005 1 273 229 61 ARG C C 179.062 0.033 1 274 229 61 ARG CA C 58.315 0.033 1 275 229 61 ARG CB C 29.301 0.033 1 276 229 61 ARG N N 119.716 0.036 1 277 230 62 PHE H H 8.138 0.005 1 278 230 62 PHE C C 177.578 0.033 1 279 230 62 PHE CA C 61.145 0.033 1 280 230 62 PHE CB C 37.387 0.033 1 281 230 62 PHE N N 117.371 0.036 1 282 231 63 ALA H H 8.752 0.005 1 283 231 63 ALA C C 180.512 0.033 1 284 231 63 ALA CA C 54.683 0.033 1 285 231 63 ALA CB C 17.446 0.033 1 286 231 63 ALA N N 123.388 0.036 1 287 232 64 ALA H H 7.900 0.005 1 288 232 64 ALA C C 178.749 0.033 1 289 232 64 ALA CA C 53.532 0.033 1 290 232 64 ALA CB C 17.276 0.033 1 291 232 64 ALA N N 120.476 0.036 1 292 233 65 GLY H H 7.515 0.005 1 293 233 65 GLY CA C 44.771 0.033 1 294 233 65 GLY N N 105.722 0.036 1 295 234 66 ALA C C 177.221 0.033 1 296 234 66 ALA CA C 52.932 0.033 1 297 234 66 ALA CB C 16.417 0.033 1 298 235 67 GLN H H 8.272 0.005 1 299 235 67 GLN C C 176.896 0.033 1 300 235 67 GLN CA C 53.582 0.033 1 301 235 67 GLN CB C 26.149 0.033 1 302 235 67 GLN N N 119.317 0.036 1 303 236 68 LYS H H 7.997 0.005 1 304 236 68 LYS C C 179.132 0.033 1 305 236 68 LYS CA C 59.373 0.033 1 306 236 68 LYS CB C 31.419 0.033 1 307 236 68 LYS N N 121.405 0.036 1 308 237 69 GLU C C 178.540 0.033 1 309 237 69 GLU CA C 59.028 0.033 1 310 237 69 GLU CB C 27.761 0.033 1 311 238 70 THR H H 7.537 0.005 1 312 238 70 THR C C 176.217 0.033 1 313 238 70 THR CA C 65.585 0.033 1 314 238 70 THR CB C 67.314 0.033 1 315 238 70 THR N N 116.187 0.036 1 316 239 71 ALA H H 8.061 0.005 1 317 239 71 ALA C C 178.510 0.033 1 318 239 71 ALA CA C 55.635 0.033 1 319 239 71 ALA CB C 17.264 0.033 1 320 239 71 ALA N N 123.001 0.036 1 321 240 72 ALA H H 7.546 0.005 1 322 240 72 ALA C C 180.382 0.033 1 323 240 72 ALA CA C 54.048 0.033 1 324 240 72 ALA CB C 17.273 0.033 1 325 240 72 ALA N N 115.947 0.036 1 326 241 73 ILE H H 7.229 0.005 1 327 241 73 ILE C C 176.659 0.033 1 328 241 73 ILE CA C 64.215 0.033 1 329 241 73 ILE CB C 36.979 0.033 1 330 241 73 ILE N N 119.804 0.036 1 331 242 74 PHE H H 6.593 0.005 1 332 242 74 PHE C C 177.959 0.033 1 333 242 74 PHE CA C 61.208 0.033 1 334 242 74 PHE CB C 38.118 0.033 1 335 242 74 PHE N N 116.622 0.036 1 336 243 75 ASP H H 8.446 0.005 1 337 243 75 ASP C C 177.422 0.033 1 338 243 75 ASP CA C 56.876 0.033 1 339 243 75 ASP CB C 39.203 0.033 1 340 243 75 ASP N N 121.537 0.036 1 341 244 76 LEU H H 7.480 0.005 1 342 244 76 LEU C C 178.851 0.033 1 343 244 76 LEU CA C 58.119 0.033 1 344 244 76 LEU CB C 38.587 0.033 1 345 244 76 LEU N N 120.448 0.036 1 346 245 77 TYR H H 7.603 0.005 1 347 245 77 TYR C C 177.969 0.033 1 348 245 77 TYR CA C 59.882 0.033 1 349 245 77 TYR CB C 35.288 0.033 1 350 245 77 TYR N N 117.748 0.036 1 351 246 78 SER H H 8.080 0.005 1 352 246 78 SER C C 177.274 0.033 1 353 246 78 SER CA C 62.562 0.033 1 354 246 78 SER N N 113.704 0.036 1 355 247 79 HIS H H 8.412 0.005 1 356 247 79 HIS C C 179.196 0.033 1 357 247 79 HIS CA C 57.769 0.033 1 358 247 79 HIS CB C 29.609 0.033 1 359 247 79 HIS N N 122.629 0.036 1 360 248 80 LEU H H 8.674 0.005 1 361 248 80 LEU C C 177.872 0.033 1 362 248 80 LEU CA C 57.722 0.033 1 363 248 80 LEU CB C 41.017 0.033 1 364 248 80 LEU N N 120.263 0.036 1 365 249 81 LEU H H 7.784 0.005 1 366 249 81 LEU C C 177.667 0.033 1 367 249 81 LEU CA C 56.383 0.033 1 368 249 81 LEU CB C 41.228 0.033 1 369 249 81 LEU N N 114.770 0.036 1 370 250 82 SER H H 7.572 0.005 1 371 250 82 SER C C 173.582 0.033 1 372 250 82 SER CA C 58.317 0.033 1 373 250 82 SER CB C 63.814 0.033 1 374 250 82 SER N N 111.777 0.036 1 375 251 83 ASP H H 7.502 0.005 1 376 251 83 ASP C C 177.342 0.033 1 377 251 83 ASP CA C 55.929 0.033 1 378 251 83 ASP CB C 44.097 0.033 1 379 251 83 ASP N N 124.984 0.036 1 380 252 84 THR C C 177.741 0.033 1 381 252 84 THR CA C 65.223 0.033 1 382 252 84 THR CB C 68.407 0.033 1 383 253 85 ARG H H 8.525 0.005 1 384 253 85 ARG C C 178.505 0.033 1 385 253 85 ARG CA C 59.464 0.033 1 386 253 85 ARG CB C 29.226 0.033 1 387 253 85 ARG N N 123.167 0.036 1 388 254 86 LEU C C 178.909 0.033 1 389 254 86 LEU CA C 58.316 0.033 1 390 254 86 LEU CB C 41.167 0.033 1 391 255 87 ARG H H 8.271 0.005 1 392 255 87 ARG C C 177.660 0.033 1 393 255 87 ARG CA C 60.296 0.033 1 394 255 87 ARG CB C 29.692 0.033 1 395 255 87 ARG N N 114.812 0.036 1 396 256 88 ARG H H 7.881 0.005 1 397 256 88 ARG C C 180.185 0.033 1 398 256 88 ARG CA C 59.276 0.033 1 399 256 88 ARG CB C 29.152 0.033 1 400 256 88 ARG N N 117.376 0.036 1 401 257 89 GLU H H 8.140 0.005 1 402 257 89 GLU C C 179.374 0.033 1 403 257 89 GLU CA C 59.183 0.033 1 404 257 89 GLU CB C 28.607 0.033 1 405 257 89 GLU N N 117.993 0.036 1 406 258 90 LEU H H 8.419 0.005 1 407 258 90 LEU C C 178.542 0.033 1 408 258 90 LEU CA C 58.116 0.033 1 409 258 90 LEU CB C 41.514 0.033 1 410 258 90 LEU N N 120.529 0.036 1 411 259 91 PHE H H 8.120 0.005 1 412 259 91 PHE C C 177.800 0.033 1 413 259 91 PHE CA C 61.352 0.033 1 414 259 91 PHE CB C 36.992 0.033 1 415 259 91 PHE N N 114.445 0.036 1 416 260 92 ALA H H 8.318 0.005 1 417 260 92 ALA C C 180.864 0.033 1 418 260 92 ALA CA C 54.674 0.033 1 419 260 92 ALA CB C 17.141 0.033 1 420 260 92 ALA N N 121.975 0.036 1 421 261 93 GLU H H 7.595 0.005 1 422 261 93 GLU C C 179.527 0.033 1 423 261 93 GLU CA C 58.208 0.033 1 424 261 93 GLU CB C 28.390 0.033 1 425 261 93 GLU N N 116.719 0.036 1 426 262 94 VAL H H 7.469 0.005 1 427 262 94 VAL C C 180.068 0.033 1 428 262 94 VAL CA C 65.072 0.033 1 429 262 94 VAL CB C 30.719 0.033 1 430 262 94 VAL N N 118.983 0.036 1 431 263 95 ASP H H 8.574 0.005 1 432 263 95 ASP C C 178.482 0.033 1 433 263 95 ASP CA C 56.895 0.033 1 434 263 95 ASP CB C 39.333 0.033 1 435 263 95 ASP N N 121.600 0.036 1 436 264 96 LYS H H 7.394 0.005 1 437 264 96 LYS C C 177.172 0.033 1 438 264 96 LYS CA C 56.930 0.033 1 439 264 96 LYS CB C 31.871 0.033 1 440 264 96 LYS N N 117.510 0.036 1 441 265 97 GLY H H 8.276 0.005 1 442 265 97 GLY C C 174.291 0.033 1 443 265 97 GLY CA C 44.845 0.033 1 444 265 97 GLY N N 106.842 0.036 1 445 266 98 SER H H 7.661 0.005 1 446 266 98 SER C C 174.246 0.033 1 447 266 98 SER CA C 59.056 0.033 1 448 266 98 SER CB C 63.170 0.033 1 449 266 98 SER N N 117.140 0.036 1 450 267 99 VAL H H 7.779 0.005 1 451 267 99 VAL C C 177.882 0.033 1 452 267 99 VAL CA C 61.712 0.033 1 453 267 99 VAL CB C 31.790 0.033 1 454 267 99 VAL N N 115.341 0.036 1 455 268 100 ALA H H 9.952 0.005 1 456 268 100 ALA C C 178.346 0.033 1 457 268 100 ALA CA C 55.796 0.033 1 458 268 100 ALA CB C 18.343 0.033 1 459 268 100 ALA N N 126.757 0.036 1 460 269 101 GLU H H 10.694 0.005 1 461 269 101 GLU C C 178.064 0.033 1 462 269 101 GLU CA C 61.129 0.033 1 463 269 101 GLU CB C 28.364 0.033 1 464 269 101 GLU N N 116.292 0.036 1 465 270 102 TRP H H 7.099 0.005 1 466 270 102 TRP HE1 H 10.344 0.005 1 467 270 102 TRP C C 177.288 0.033 1 468 270 102 TRP CA C 58.186 0.033 1 469 270 102 TRP CB C 29.683 0.033 1 470 270 102 TRP N N 117.398 0.036 1 471 270 102 TRP NE1 N 130.397 0.036 1 472 271 103 ALA H H 8.183 0.005 1 473 271 103 ALA C C 177.963 0.033 1 474 271 103 ALA CA C 55.240 0.033 1 475 271 103 ALA CB C 18.011 0.033 1 476 271 103 ALA N N 122.502 0.036 1 477 272 104 VAL H H 8.083 0.005 1 478 272 104 VAL C C 176.413 0.033 1 479 272 104 VAL CA C 66.067 0.033 1 480 272 104 VAL CB C 30.705 0.033 1 481 272 104 VAL N N 114.061 0.036 1 482 273 105 LYS H H 7.652 0.005 1 483 273 105 LYS C C 177.484 0.033 1 484 273 105 LYS CA C 59.604 0.033 1 485 273 105 LYS CB C 32.446 0.033 1 486 273 105 LYS N N 117.600 0.036 1 487 274 106 THR H H 7.975 0.005 1 488 274 106 THR C C 177.053 0.033 1 489 274 106 THR CA C 64.677 0.033 1 490 274 106 THR CB C 68.417 0.033 1 491 274 106 THR N N 110.161 0.036 1 492 275 107 VAL H H 7.847 0.005 1 493 275 107 VAL C C 177.939 0.033 1 494 275 107 VAL CA C 66.244 0.033 1 495 275 107 VAL CB C 30.950 0.033 1 496 275 107 VAL N N 122.285 0.036 1 497 276 108 ILE H H 8.445 0.005 1 498 276 108 ILE C C 178.310 0.033 1 499 276 108 ILE CA C 62.693 0.033 1 500 276 108 ILE CB C 33.187 0.033 1 501 276 108 ILE N N 118.767 0.036 1 502 277 109 GLU H H 8.045 0.005 1 503 277 109 GLU C C 178.731 0.033 1 504 277 109 GLU CA C 59.625 0.033 1 505 277 109 GLU CB C 28.158 0.033 1 506 277 109 GLU N N 116.580 0.036 1 507 278 110 LYS H H 7.465 0.005 1 508 278 110 LYS C C 180.132 0.033 1 509 278 110 LYS CA C 59.126 0.033 1 510 278 110 LYS CB C 30.767 0.033 1 511 278 110 LYS N N 119.407 0.036 1 512 279 111 PHE H H 8.090 0.005 1 513 279 111 PHE C C 178.227 0.033 1 514 279 111 PHE CA C 61.633 0.033 1 515 279 111 PHE CB C 38.742 0.033 1 516 279 111 PHE N N 117.238 0.036 1 517 280 112 ALA H H 9.307 0.005 1 518 280 112 ALA C C 179.656 0.033 1 519 280 112 ALA CA C 56.107 0.033 1 520 280 112 ALA CB C 16.948 0.033 1 521 280 112 ALA N N 122.742 0.036 1 522 281 113 GLU H H 8.318 0.005 1 523 281 113 GLU C C 179.352 0.033 1 524 281 113 GLU CA C 58.589 0.033 1 525 281 113 GLU CB C 28.430 0.033 1 526 281 113 GLU N N 116.635 0.036 1 527 282 114 GLN H H 7.478 0.005 1 528 282 114 GLN C C 179.205 0.033 1 529 282 114 GLN CA C 58.496 0.033 1 530 282 114 GLN CB C 27.535 0.033 1 531 282 114 GLN N N 118.432 0.036 1 532 283 115 PHE H H 7.866 0.005 1 533 283 115 PHE C C 177.802 0.033 1 534 283 115 PHE CA C 60.855 0.033 1 535 283 115 PHE N N 116.937 0.036 1 536 284 116 ALA H H 8.412 0.005 1 537 284 116 ALA C C 177.957 0.033 1 538 284 116 ALA CA C 53.976 0.033 1 539 284 116 ALA CB C 17.590 0.033 1 540 284 116 ALA N N 118.646 0.036 1 541 285 117 ALA H H 7.194 0.005 1 542 285 117 ALA C C 178.328 0.033 1 543 285 117 ALA CA C 51.871 0.033 1 544 285 117 ALA CB C 18.451 0.033 1 545 285 117 ALA N N 116.720 0.036 1 546 286 118 LEU H H 7.351 0.005 1 547 286 118 LEU C C 176.731 0.033 1 548 286 118 LEU CA C 54.631 0.033 1 549 286 118 LEU CB C 40.685 0.033 1 550 286 118 LEU N N 119.654 0.036 1 551 287 119 SER H H 8.278 0.005 1 552 287 119 SER C C 174.876 0.033 1 553 287 119 SER CA C 59.150 0.033 1 554 287 119 SER CB C 62.522 0.033 1 555 287 119 SER N N 112.914 0.036 1 556 288 120 ASP H H 7.575 0.005 1 557 288 120 ASP C C 176.828 0.033 1 558 288 120 ASP CA C 53.586 0.033 1 559 288 120 ASP CB C 42.687 0.033 1 560 288 120 ASP N N 120.784 0.036 1 561 289 121 ASN C C 176.772 0.033 1 562 289 121 ASN CA C 56.495 0.033 1 563 290 122 TYR H H 8.378 0.005 1 564 290 122 TYR C C 177.766 0.033 1 565 290 122 TYR CA C 60.762 0.033 1 566 290 122 TYR CB C 37.297 0.033 1 567 290 122 TYR N N 119.918 0.036 1 568 291 123 LEU H H 7.804 0.005 1 569 291 123 LEU C C 179.382 0.033 1 570 291 123 LEU CA C 56.758 0.033 1 571 291 123 LEU CB C 40.928 0.033 1 572 291 123 LEU N N 118.785 0.036 1 573 292 124 LYS H H 8.256 0.005 1 574 292 124 LYS C C 180.951 0.033 1 575 292 124 LYS CA C 59.437 0.033 1 576 292 124 LYS CB C 31.791 0.033 1 577 292 124 LYS N N 119.260 0.036 1 578 293 125 GLU H H 7.560 0.005 1 579 293 125 GLU C C 178.666 0.033 1 580 293 125 GLU CA C 58.096 0.033 1 581 293 125 GLU CB C 28.325 0.033 1 582 293 125 GLU N N 117.681 0.036 1 583 294 126 ARG H H 7.684 0.005 1 584 294 126 ARG C C 178.404 0.033 1 585 294 126 ARG CA C 56.964 0.033 1 586 294 126 ARG CB C 29.288 0.033 1 587 294 126 ARG N N 117.667 0.036 1 588 295 127 ALA H H 7.703 0.005 1 589 295 127 ALA C C 179.560 0.033 1 590 295 127 ALA CA C 55.582 0.033 1 591 295 127 ALA CB C 17.944 0.033 1 592 295 127 ALA N N 121.068 0.036 1 593 296 128 GLY H H 7.502 0.005 1 594 296 128 GLY C C 177.081 0.033 1 595 296 128 GLY CA C 46.443 0.033 1 596 296 128 GLY N N 103.566 0.036 1 597 297 129 ASP H H 7.157 0.005 1 598 297 129 ASP C C 177.740 0.033 1 599 297 129 ASP CA C 56.683 0.033 1 600 297 129 ASP CB C 40.113 0.033 1 601 297 129 ASP N N 122.733 0.036 1 602 298 130 LEU H H 7.709 0.005 1 603 298 130 LEU C C 178.374 0.033 1 604 298 130 LEU CA C 57.243 0.033 1 605 298 130 LEU CB C 40.066 0.033 1 606 298 130 LEU N N 119.163 0.036 1 607 299 131 ARG H H 7.806 0.005 1 608 299 131 ARG C C 178.670 0.033 1 609 299 131 ARG CA C 60.561 0.033 1 610 299 131 ARG CB C 28.541 0.033 1 611 299 131 ARG N N 117.205 0.036 1 612 300 132 ALA H H 8.026 0.005 1 613 300 132 ALA C C 180.964 0.033 1 614 300 132 ALA CA C 54.814 0.033 1 615 300 132 ALA CB C 17.236 0.033 1 616 300 132 ALA N N 123.223 0.036 1 617 301 133 LEU H H 8.202 0.005 1 618 301 133 LEU C C 179.287 0.033 1 619 301 133 LEU CA C 58.109 0.033 1 620 301 133 LEU CB C 40.625 0.033 1 621 301 133 LEU N N 120.387 0.036 1 622 302 134 GLY H H 8.577 0.005 1 623 302 134 GLY C C 174.466 0.033 1 624 302 134 GLY CA C 47.830 0.033 1 625 302 134 GLY N N 106.018 0.036 1 626 303 135 GLN H H 8.059 0.005 1 627 303 135 GLN C C 178.366 0.033 1 628 303 135 GLN CA C 59.115 0.033 1 629 303 135 GLN CB C 27.281 0.033 1 630 303 135 GLN N N 119.337 0.036 1 631 304 136 ARG H H 7.787 0.005 1 632 304 136 ARG C C 178.786 0.033 1 633 304 136 ARG CA C 55.856 0.033 1 634 304 136 ARG CB C 27.286 0.033 1 635 304 136 ARG N N 116.335 0.036 1 636 305 137 LEU H H 8.554 0.005 1 637 305 137 LEU C C 178.738 0.033 1 638 305 137 LEU CA C 58.181 0.033 1 639 305 137 LEU CB C 41.225 0.033 1 640 305 137 LEU N N 118.818 0.036 1 641 306 138 LEU H H 8.130 0.005 1 642 306 138 LEU C C 179.798 0.033 1 643 306 138 LEU CA C 57.558 0.033 1 644 306 138 LEU CB C 40.113 0.033 1 645 306 138 LEU N N 115.746 0.036 1 646 307 139 PHE H H 8.183 0.005 1 647 307 139 PHE C C 177.877 0.033 1 648 307 139 PHE CA C 61.288 0.033 1 649 307 139 PHE CB C 38.063 0.033 1 650 307 139 PHE N N 121.613 0.036 1 651 308 140 HIS H H 7.931 0.005 1 652 308 140 HIS C C 177.318 0.033 1 653 308 140 HIS CA C 58.777 0.033 1 654 308 140 HIS CB C 30.405 0.033 1 655 308 140 HIS N N 116.610 0.036 1 656 309 141 LEU H H 7.787 0.005 1 657 309 141 LEU C C 176.080 0.033 1 658 309 141 LEU CA C 55.797 0.033 1 659 309 141 LEU CB C 41.505 0.033 1 660 309 141 LEU N N 120.222 0.036 1 661 310 142 ASP H H 7.058 0.005 1 662 310 142 ASP C C 176.285 0.033 1 663 310 142 ASP CA C 53.045 0.033 1 664 310 142 ASP CB C 40.872 0.033 1 665 310 142 ASP N N 118.347 0.036 1 666 311 143 ASP H H 8.373 0.005 1 667 311 143 ASP C C 176.938 0.033 1 668 311 143 ASP CA C 54.904 0.033 1 669 311 143 ASP CB C 40.123 0.033 1 670 311 143 ASP N N 124.408 0.036 1 671 312 144 ALA H H 8.258 0.005 1 672 312 144 ALA C C 178.048 0.033 1 673 312 144 ALA CA C 52.537 0.033 1 674 312 144 ALA CB C 18.103 0.033 1 675 312 144 ALA N N 121.959 0.036 1 676 313 145 ASN H H 7.676 0.005 1 677 313 145 ASN C C 174.808 0.033 1 678 313 145 ASN CA C 52.760 0.033 1 679 313 145 ASN CB C 38.027 0.033 1 680 313 145 ASN N N 116.602 0.036 1 681 314 146 GLN H H 8.149 0.005 1 682 314 146 GLN C C 176.507 0.033 1 683 314 146 GLN CA C 55.121 0.033 1 684 314 146 GLN CB C 28.745 0.033 1 685 314 146 GLN N N 120.184 0.036 1 686 315 147 GLY H H 8.364 0.005 1 687 315 147 GLY C C 171.589 0.033 1 688 315 147 GLY CA C 44.045 0.033 1 689 315 147 GLY N N 109.681 0.036 1 690 318 150 ALA C C 175.857 0.033 1 691 318 150 ALA CA C 51.108 0.033 1 692 318 150 ALA CB C 18.347 0.033 1 693 319 151 TRP H H 7.594 0.005 1 694 319 151 TRP C C 174.517 0.033 1 695 319 151 TRP CA C 55.433 0.033 1 696 319 151 TRP CB C 28.981 0.033 1 697 319 151 TRP N N 120.203 0.036 1 698 320 152 PRO C C 175.708 0.033 1 699 320 152 PRO CA C 61.651 0.033 1 700 320 152 PRO CB C 31.448 0.033 1 701 321 153 GLU H H 8.587 0.005 1 702 321 153 GLU C C 176.596 0.033 1 703 321 153 GLU CA C 59.618 0.033 1 704 321 153 GLU CB C 29.090 0.033 1 705 321 153 GLU N N 119.411 0.036 1 706 322 154 ARG H H 7.289 0.005 1 707 322 154 ARG C C 175.886 0.033 1 708 322 154 ARG CA C 54.504 0.033 1 709 322 154 ARG CB C 33.234 0.033 1 710 322 154 ARG N N 111.918 0.036 1 711 323 155 PHE H H 8.620 0.005 1 712 323 155 PHE C C 172.471 0.033 1 713 323 155 PHE CA C 56.005 0.033 1 714 323 155 PHE CB C 41.013 0.033 1 715 323 155 PHE N N 117.237 0.036 1 716 324 156 ILE H H 8.651 0.005 1 717 324 156 ILE C C 175.823 0.033 1 718 324 156 ILE CA C 57.504 0.033 1 719 324 156 ILE CB C 39.674 0.033 1 720 324 156 ILE N N 121.911 0.036 1 721 325 157 LEU H H 8.211 0.005 1 722 325 157 LEU C C 174.489 0.033 1 723 325 157 LEU CA C 54.833 0.033 1 724 325 157 LEU CB C 43.582 0.033 1 725 325 157 LEU N N 130.021 0.036 1 726 326 158 VAL H H 8.683 0.005 1 727 326 158 VAL C C 174.682 0.033 1 728 326 158 VAL CA C 59.191 0.033 1 729 326 158 VAL CB C 31.816 0.033 1 730 326 158 VAL N N 124.586 0.036 1 731 327 159 ALA H H 8.624 0.005 1 732 327 159 ALA C C 175.714 0.033 1 733 327 159 ALA CA C 49.871 0.033 1 734 327 159 ALA CB C 22.546 0.033 1 735 327 159 ALA N N 126.256 0.036 1 736 328 160 ASP H H 8.922 0.005 1 737 328 160 ASP C C 175.736 0.033 1 738 328 160 ASP CA C 56.901 0.033 1 739 328 160 ASP CB C 41.336 0.033 1 740 328 160 ASP N N 121.051 0.036 1 741 329 161 GLU H H 7.691 0.005 1 742 329 161 GLU C C 174.185 0.033 1 743 329 161 GLU CA C 54.193 0.033 1 744 329 161 GLU CB C 32.187 0.033 1 745 329 161 GLU N N 114.524 0.036 1 746 330 162 LEU H H 8.980 0.005 1 747 330 162 LEU C C 175.027 0.033 1 748 330 162 LEU CA C 53.444 0.033 1 749 330 162 LEU CB C 43.304 0.033 1 750 330 162 LEU N N 122.917 0.036 1 751 331 163 SER H H 8.170 0.005 1 752 331 163 SER C C 174.557 0.033 1 753 331 163 SER CA C 55.420 0.033 1 754 331 163 SER CB C 64.157 0.033 1 755 331 163 SER N N 118.830 0.036 1 756 332 164 ALA H H 9.184 0.005 1 757 332 164 ALA C C 179.282 0.033 1 758 332 164 ALA CA C 55.022 0.033 1 759 332 164 ALA CB C 18.029 0.033 1 760 332 164 ALA N N 128.238 0.036 1 761 333 165 THR H H 8.119 0.005 1 762 333 165 THR C C 176.390 0.033 1 763 333 165 THR CA C 65.536 0.033 1 764 333 165 THR CB C 66.845 0.033 1 765 333 165 THR N N 108.097 0.036 1 766 334 166 THR H H 7.375 0.005 1 767 334 166 THR C C 176.300 0.033 1 768 334 166 THR CA C 65.802 0.033 1 769 334 166 THR CB C 68.130 0.033 1 770 334 166 THR N N 118.613 0.036 1 771 335 167 LEU H H 7.477 0.005 1 772 335 167 LEU C C 178.143 0.033 1 773 335 167 LEU CA C 57.044 0.033 1 774 335 167 LEU CB C 41.181 0.033 1 775 335 167 LEU N N 117.064 0.036 1 776 336 168 ALA H H 7.630 0.005 1 777 336 168 ALA C C 177.301 0.033 1 778 336 168 ALA CA C 53.824 0.033 1 779 336 168 ALA CB C 16.805 0.033 1 780 336 168 ALA N N 118.291 0.036 1 781 337 169 GLU H H 7.323 0.005 1 782 337 169 GLU C C 176.823 0.033 1 783 337 169 GLU CA C 56.322 0.033 1 784 337 169 GLU CB C 29.888 0.033 1 785 337 169 GLU N N 115.224 0.036 1 786 338 170 LEU H H 6.940 0.005 1 787 338 170 LEU C C 174.543 0.033 1 788 338 170 LEU CA C 52.366 0.033 1 789 338 170 LEU CB C 40.327 0.033 1 790 338 170 LEU N N 118.312 0.036 1 791 339 171 PRO C C 177.969 0.033 1 792 339 171 PRO CA C 61.747 0.033 1 793 339 171 PRO CB C 29.909 0.033 1 794 340 172 GLN H H 8.687 0.005 1 795 340 172 GLN C C 176.271 0.033 1 796 340 172 GLN CA C 57.913 0.033 1 797 340 172 GLN CB C 27.931 0.033 1 798 340 172 GLN N N 126.982 0.036 1 799 341 173 ASP H H 8.806 0.005 1 800 341 173 ASP C C 176.070 0.033 1 801 341 173 ASP CA C 54.213 0.033 1 802 341 173 ASP CB C 38.703 0.033 1 803 341 173 ASP N N 113.627 0.036 1 804 342 174 ARG H H 7.014 0.005 1 805 342 174 ARG C C 173.568 0.033 1 806 342 174 ARG CA C 55.952 0.033 1 807 342 174 ARG CB C 31.890 0.033 1 808 342 174 ARG N N 116.824 0.036 1 809 343 175 LEU H H 6.600 0.005 1 810 343 175 LEU C C 176.461 0.033 1 811 343 175 LEU CA C 53.644 0.033 1 812 343 175 LEU CB C 40.940 0.033 1 813 343 175 LEU N N 119.632 0.036 1 814 344 176 VAL H H 8.319 0.005 1 815 344 176 VAL C C 175.049 0.033 1 816 344 176 VAL CA C 59.874 0.033 1 817 344 176 VAL CB C 31.805 0.033 1 818 344 176 VAL N N 117.490 0.036 1 819 345 177 GLY H H 7.046 0.005 1 820 345 177 GLY C C 170.227 0.033 1 821 345 177 GLY CA C 45.061 0.033 1 822 345 177 GLY N N 104.157 0.036 1 823 346 178 VAL H H 8.669 0.005 1 824 346 178 VAL C C 173.345 0.033 1 825 346 178 VAL CA C 61.465 0.033 1 826 346 178 VAL CB C 34.669 0.033 1 827 346 178 VAL N N 120.341 0.036 1 828 347 179 VAL H H 9.155 0.005 1 829 347 179 VAL C C 173.320 0.033 1 830 347 179 VAL CA C 60.010 0.033 1 831 347 179 VAL CB C 33.708 0.033 1 832 347 179 VAL N N 125.787 0.036 1 833 348 180 VAL H H 8.157 0.005 1 834 348 180 VAL C C 175.614 0.033 1 835 348 180 VAL CA C 57.597 0.033 1 836 348 180 VAL CB C 34.597 0.033 1 837 348 180 VAL N N 121.380 0.036 1 838 349 181 ARG H H 8.101 0.005 1 839 349 181 ARG C C 177.641 0.033 1 840 349 181 ARG CA C 57.409 0.033 1 841 349 181 ARG CB C 30.280 0.033 1 842 349 181 ARG N N 125.339 0.036 1 843 350 182 ASP H H 7.784 0.005 1 844 350 182 ASP C C 176.913 0.033 1 845 350 182 ASP CA C 54.726 0.033 1 846 350 182 ASP CB C 41.881 0.033 1 847 350 182 ASP N N 117.970 0.036 1 848 351 183 GLY H H 8.259 0.005 1 849 351 183 GLY C C 173.851 0.033 1 850 351 183 GLY CA C 44.689 0.033 1 851 351 183 GLY N N 110.741 0.036 1 852 352 184 ALA H H 7.824 0.005 1 853 352 184 ALA C C 176.916 0.033 1 854 352 184 ALA CA C 51.442 0.033 1 855 352 184 ALA CB C 17.950 0.033 1 856 352 184 ALA N N 123.882 0.036 1 857 353 185 ALA H H 8.153 0.005 1 858 353 185 ALA C C 176.882 0.033 1 859 353 185 ALA CA C 52.594 0.033 1 860 353 185 ALA CB C 18.303 0.033 1 861 353 185 ALA N N 124.382 0.036 1 862 355 187 SER C C 175.292 0.033 1 863 356 188 GLN H H 8.764 0.005 1 864 356 188 GLN C C 178.155 0.033 1 865 356 188 GLN CA C 58.368 0.033 1 866 356 188 GLN CB C 27.791 0.033 1 867 356 188 GLN N N 119.951 0.036 1 868 357 189 ALA H H 8.235 0.005 1 869 357 189 ALA C C 178.211 0.033 1 870 357 189 ALA CA C 54.388 0.033 1 871 357 189 ALA CB C 17.402 0.033 1 872 357 189 ALA N N 119.817 0.036 1 873 358 190 ALA H H 7.659 0.005 1 874 358 190 ALA C C 179.602 0.033 1 875 358 190 ALA CA C 54.128 0.033 1 876 358 190 ALA CB C 17.111 0.033 1 877 358 190 ALA N N 119.766 0.036 1 878 359 191 ILE H H 7.638 0.005 1 879 359 191 ILE C C 179.074 0.033 1 880 359 191 ILE CA C 64.358 0.033 1 881 359 191 ILE CB C 37.023 0.033 1 882 359 191 ILE N N 118.618 0.036 1 883 360 192 MET H H 7.632 0.005 1 884 360 192 MET C C 178.231 0.033 1 885 360 192 MET CA C 58.582 0.033 1 886 360 192 MET N N 119.688 0.036 1 887 361 193 VAL H H 8.184 0.005 1 888 361 193 VAL C C 178.268 0.033 1 889 361 193 VAL CA C 65.825 0.033 1 890 361 193 VAL CB C 29.920 0.033 1 891 361 193 VAL N N 114.946 0.036 1 892 362 194 ARG H H 7.450 0.005 1 893 362 194 ARG C C 179.165 0.033 1 894 362 194 ARG CA C 58.946 0.033 1 895 362 194 ARG CB C 29.472 0.033 1 896 362 194 ARG N N 119.754 0.036 1 897 363 195 ALA H H 7.905 0.005 1 898 363 195 ALA C C 179.655 0.033 1 899 363 195 ALA CA C 54.090 0.033 1 900 363 195 ALA CB C 17.500 0.033 1 901 363 195 ALA N N 122.619 0.036 1 902 364 196 LEU H H 7.871 0.005 1 903 364 196 LEU C C 178.042 0.033 1 904 364 196 LEU CA C 55.277 0.033 1 905 364 196 LEU CB C 41.301 0.033 1 906 364 196 LEU N N 115.642 0.036 1 907 365 197 GLY H H 7.596 0.005 1 908 365 197 GLY C C 174.475 0.033 1 909 365 197 GLY CA C 46.415 0.033 1 910 365 197 GLY N N 107.564 0.036 1 911 366 198 ILE H H 7.432 0.005 1 912 366 198 ILE C C 172.834 0.033 1 913 366 198 ILE CA C 57.041 0.033 1 914 366 198 ILE CB C 37.873 0.033 1 915 366 198 ILE N N 117.633 0.036 1 916 367 199 PRO C C 176.016 0.033 1 917 367 199 PRO CA C 62.681 0.033 1 918 367 199 PRO CB C 30.813 0.033 1 919 368 200 THR H H 7.875 0.005 1 920 368 200 THR C C 173.900 0.033 1 921 368 200 THR CA C 61.464 0.033 1 922 368 200 THR CB C 72.087 0.033 1 923 368 200 THR N N 118.273 0.036 1 924 369 201 VAL H H 8.411 0.005 1 925 369 201 VAL C C 173.727 0.033 1 926 369 201 VAL CA C 58.770 0.033 1 927 369 201 VAL CB C 33.685 0.033 1 928 369 201 VAL N N 120.987 0.036 1 929 370 202 MET H H 8.621 0.005 1 930 370 202 MET C C 174.838 0.033 1 931 370 202 MET CA C 53.182 0.033 1 932 370 202 MET CB C 35.469 0.033 1 933 370 202 MET N N 120.191 0.036 1 934 371 203 GLY H H 7.516 0.005 1 935 371 203 GLY C C 174.855 0.033 1 936 371 203 GLY CA C 46.476 0.033 1 937 371 203 GLY N N 108.883 0.036 1 938 372 204 ALA H H 7.824 0.005 1 939 372 204 ALA C C 176.223 0.033 1 940 372 204 ALA CA C 50.606 0.033 1 941 372 204 ALA CB C 18.894 0.033 1 942 372 204 ALA N N 121.770 0.036 1 943 373 205 ASP H H 8.473 0.005 1 944 373 205 ASP C C 174.632 0.033 1 945 373 205 ASP CA C 52.833 0.033 1 946 373 205 ASP CB C 37.933 0.033 1 947 373 205 ASP N N 122.813 0.036 1 948 374 206 ILE H H 7.673 0.005 1 949 374 206 ILE C C 175.006 0.033 1 950 374 206 ILE CA C 57.669 0.033 1 951 374 206 ILE CB C 41.350 0.033 1 952 374 206 ILE N N 116.750 0.036 1 953 375 207 GLN H H 8.158 0.005 1 954 375 207 GLN C C 175.044 0.033 1 955 375 207 GLN CA C 52.012 0.033 1 956 375 207 GLN CB C 28.703 0.033 1 957 375 207 GLN N N 121.613 0.036 1 958 376 208 PRO C C 176.882 0.033 1 959 376 208 PRO CA C 65.886 0.033 1 960 376 208 PRO CB C 31.334 0.033 1 961 377 209 SER H H 8.345 0.005 1 962 377 209 SER C C 176.771 0.033 1 963 377 209 SER CA C 60.560 0.033 1 964 377 209 SER CB C 61.912 0.033 1 965 377 209 SER N N 108.698 0.036 1 966 378 210 VAL H H 7.413 0.005 1 967 378 210 VAL C C 176.354 0.033 1 968 378 210 VAL CA C 63.053 0.033 1 969 378 210 VAL CB C 30.803 0.033 1 970 378 210 VAL N N 120.083 0.036 1 971 379 211 LEU H H 7.161 0.005 1 972 379 211 LEU C C 176.292 0.033 1 973 379 211 LEU CA C 54.902 0.033 1 974 379 211 LEU CB C 41.375 0.033 1 975 379 211 LEU N N 117.491 0.036 1 976 380 212 HIS H H 6.962 0.005 1 977 380 212 HIS C C 175.710 0.033 1 978 380 212 HIS CA C 58.125 0.033 1 979 380 212 HIS CB C 31.334 0.033 1 980 380 212 HIS N N 119.352 0.036 1 981 381 213 ARG H H 8.711 0.005 1 982 381 213 ARG C C 175.727 0.033 1 983 381 213 ARG CA C 58.440 0.033 1 984 381 213 ARG CB C 26.551 0.033 1 985 381 213 ARG N N 119.532 0.036 1 986 382 214 ARG H H 7.864 0.005 1 987 382 214 ARG C C 176.291 0.033 1 988 382 214 ARG CA C 54.406 0.033 1 989 382 214 ARG CB C 29.499 0.033 1 990 382 214 ARG N N 118.977 0.036 1 991 383 215 THR H H 8.826 0.005 1 992 383 215 THR C C 172.233 0.033 1 993 383 215 THR CA C 64.950 0.033 1 994 383 215 THR CB C 68.112 0.033 1 995 383 215 THR N N 119.329 0.036 1 996 384 216 LEU H H 8.537 0.005 1 997 384 216 LEU C C 175.147 0.033 1 998 384 216 LEU CA C 52.196 0.033 1 999 384 216 LEU CB C 43.634 0.033 1 1000 384 216 LEU N N 127.144 0.036 1 1001 385 217 ILE H H 8.386 0.005 1 1002 385 217 ILE C C 175.943 0.033 1 1003 385 217 ILE CA C 59.727 0.033 1 1004 385 217 ILE CB C 38.576 0.033 1 1005 385 217 ILE N N 115.984 0.036 1 1006 386 218 VAL H H 8.913 0.005 1 1007 386 218 VAL C C 173.127 0.033 1 1008 386 218 VAL CA C 60.489 0.033 1 1009 386 218 VAL CB C 33.308 0.033 1 1010 386 218 VAL N N 124.819 0.036 1 1011 387 219 ASP H H 8.687 0.005 1 1012 387 219 ASP C C 177.520 0.033 1 1013 387 219 ASP CA C 51.595 0.033 1 1014 387 219 ASP CB C 40.422 0.033 1 1015 387 219 ASP N N 124.744 0.036 1 1016 388 220 GLY H H 9.416 0.005 1 1017 388 220 GLY C C 175.060 0.033 1 1018 388 220 GLY CA C 45.102 0.033 1 1019 388 220 GLY N N 112.247 0.036 1 1020 389 221 TYR H H 8.446 0.005 1 1021 389 221 TYR C C 178.296 0.033 1 1022 389 221 TYR CA C 60.153 0.033 1 1023 389 221 TYR CB C 36.972 0.033 1 1024 389 221 TYR N N 117.789 0.036 1 1025 390 222 ARG H H 8.161 0.005 1 1026 390 222 ARG C C 177.653 0.033 1 1027 390 222 ARG CA C 55.799 0.033 1 1028 390 222 ARG CB C 30.852 0.033 1 1029 390 222 ARG N N 115.589 0.036 1 1030 391 223 GLY H H 8.093 0.005 1 1031 391 223 GLY C C 172.034 0.033 1 1032 391 223 GLY CA C 46.037 0.033 1 1033 391 223 GLY N N 108.732 0.036 1 1034 392 224 GLU H H 8.106 0.005 1 1035 392 224 GLU C C 172.777 0.033 1 1036 392 224 GLU CA C 54.262 0.033 1 1037 392 224 GLU CB C 33.896 0.033 1 1038 392 224 GLU N N 117.921 0.036 1 1039 393 225 LEU H H 8.705 0.005 1 1040 393 225 LEU C C 174.277 0.033 1 1041 393 225 LEU CA C 52.316 0.033 1 1042 393 225 LEU CB C 44.897 0.033 1 1043 393 225 LEU N N 122.342 0.036 1 1044 394 226 LEU H H 9.231 0.005 1 1045 394 226 LEU C C 174.862 0.033 1 1046 394 226 LEU CA C 54.093 0.033 1 1047 394 226 LEU CB C 41.087 0.033 1 1048 394 226 LEU N N 126.278 0.036 1 1049 395 227 VAL H H 8.314 0.005 1 1050 395 227 VAL C C 175.456 0.033 1 1051 395 227 VAL CA C 60.288 0.033 1 1052 395 227 VAL CB C 32.744 0.033 1 1053 395 227 VAL N N 121.251 0.036 1 1054 396 228 ASP H H 9.220 0.005 1 1055 396 228 ASP C C 172.968 0.033 1 1056 396 228 ASP CA C 54.818 0.033 1 1057 396 228 ASP CB C 39.234 0.033 1 1058 396 228 ASP N N 124.236 0.036 1 1059 397 229 PRO C C 176.496 0.033 1 1060 397 229 PRO CA C 61.788 0.033 1 1061 397 229 PRO CB C 31.383 0.033 1 1062 398 230 GLU H H 8.679 0.005 1 1063 398 230 GLU C C 175.218 0.033 1 1064 398 230 GLU CA C 54.967 0.033 1 1065 398 230 GLU CB C 27.311 0.033 1 1066 398 230 GLU N N 121.366 0.036 1 1067 399 231 PRO C C 178.912 0.033 1 1068 399 231 PRO CA C 66.336 0.033 1 1069 399 231 PRO CB C 31.222 0.033 1 1070 400 232 VAL H H 8.423 0.005 1 1071 400 232 VAL C C 177.723 0.033 1 1072 400 232 VAL CA C 65.125 0.033 1 1073 400 232 VAL CB C 30.292 0.033 1 1074 400 232 VAL N N 115.063 0.036 1 1075 401 233 LEU H H 7.172 0.005 1 1076 401 233 LEU C C 179.027 0.033 1 1077 401 233 LEU CA C 56.533 0.033 1 1078 401 233 LEU CB C 41.525 0.033 1 1079 401 233 LEU N N 122.688 0.036 1 1080 402 234 LEU H H 8.018 0.005 1 1081 402 234 LEU C C 178.922 0.033 1 1082 402 234 LEU CA C 58.579 0.033 1 1083 402 234 LEU CB C 40.857 0.033 1 1084 402 234 LEU N N 119.909 0.036 1 1085 403 235 GLN H H 8.199 0.005 1 1086 403 235 GLN C C 178.734 0.033 1 1087 403 235 GLN CA C 58.388 0.033 1 1088 403 235 GLN CB C 27.511 0.033 1 1089 403 235 GLN N N 116.043 0.036 1 1090 404 236 GLU H H 7.741 0.005 1 1091 404 236 GLU C C 179.245 0.033 1 1092 404 236 GLU CA C 58.793 0.033 1 1093 404 236 GLU CB C 28.473 0.033 1 1094 404 236 GLU N N 120.623 0.036 1 1095 405 237 TYR H H 8.187 0.005 1 1096 405 237 TYR C C 178.259 0.033 1 1097 405 237 TYR CA C 62.771 0.033 1 1098 405 237 TYR CB C 37.719 0.033 1 1099 405 237 TYR N N 117.841 0.036 1 1100 406 238 GLN H H 8.579 0.005 1 1101 406 238 GLN C C 179.034 0.033 1 1102 406 238 GLN CA C 58.486 0.033 1 1103 406 238 GLN CB C 27.233 0.033 1 1104 406 238 GLN N N 119.160 0.036 1 1105 407 239 ARG H H 7.825 0.005 1 1106 407 239 ARG C C 178.227 0.033 1 1107 407 239 ARG CA C 58.636 0.033 1 1108 407 239 ARG CB C 28.667 0.033 1 1109 407 239 ARG N N 119.826 0.036 1 1110 408 240 LEU H H 7.620 0.005 1 1111 408 240 LEU C C 179.652 0.033 1 1112 408 240 LEU CA C 57.330 0.033 1 1113 408 240 LEU CB C 40.836 0.033 1 1114 408 240 LEU N N 119.740 0.036 1 1115 409 241 ILE H H 7.862 0.005 1 1116 409 241 ILE C C 178.112 0.033 1 1117 409 241 ILE CA C 64.021 0.033 1 1118 409 241 ILE CB C 37.623 0.033 1 1119 409 241 ILE N N 118.507 0.036 1 1120 410 242 SER H H 8.123 0.005 1 1121 410 242 SER C C 175.900 0.033 1 1122 410 242 SER CA C 60.516 0.033 1 1123 410 242 SER CB C 63.117 0.033 1 1124 410 242 SER N N 115.830 0.036 1 1125 411 243 GLU H H 8.299 0.005 1 1126 411 243 GLU C C 177.470 0.033 1 1127 411 243 GLU CA C 57.478 0.033 1 1128 411 243 GLU CB C 29.093 0.033 1 1129 411 243 GLU N N 121.444 0.036 1 1130 412 244 GLU H H 8.006 0.005 1 1131 412 244 GLU C C 178.018 0.033 1 1132 412 244 GLU CA C 57.768 0.033 1 1133 412 244 GLU CB C 28.796 0.033 1 1134 412 244 GLU N N 119.776 0.036 1 1135 413 245 ILE H H 7.971 0.005 1 1136 413 245 ILE C C 177.515 0.033 1 1137 413 245 ILE CA C 62.334 0.033 1 1138 413 245 ILE CB C 37.578 0.033 1 1139 413 245 ILE N N 120.579 0.036 1 1140 414 246 GLU H H 8.183 0.005 1 1141 414 246 GLU C C 177.651 0.033 1 1142 414 246 GLU CA C 57.091 0.033 1 1143 414 246 GLU CB C 28.876 0.033 1 1144 414 246 GLU N N 122.586 0.036 1 1145 415 247 LEU H H 8.053 0.005 1 1146 415 247 LEU C C 178.492 0.033 1 1147 415 247 LEU CA C 55.880 0.033 1 1148 415 247 LEU CB C 41.019 0.033 1 1149 415 247 LEU N N 121.438 0.036 1 1150 416 248 SER H H 8.101 0.005 1 1151 416 248 SER C C 175.043 0.033 1 1152 416 248 SER CA C 59.007 0.033 1 1153 416 248 SER CB C 62.832 0.033 1 1154 416 248 SER N N 115.253 0.036 1 1155 417 249 ARG H H 7.974 0.005 1 1156 417 249 ARG C C 176.761 0.033 1 1157 417 249 ARG CA C 56.277 0.033 1 1158 417 249 ARG CB C 29.619 0.033 1 1159 417 249 ARG N N 122.280 0.036 1 1160 418 250 LEU H H 8.042 0.005 1 1161 418 250 LEU C C 177.399 0.033 1 1162 418 250 LEU CA C 55.027 0.033 1 1163 418 250 LEU CB C 41.172 0.033 1 1164 418 250 LEU N N 122.204 0.036 1 1165 419 251 ALA H H 8.105 0.005 1 1166 419 251 ALA C C 177.932 0.033 1 1167 419 251 ALA CA C 52.180 0.033 1 1168 419 251 ALA CB C 18.399 0.033 1 1169 419 251 ALA N N 123.838 0.036 1 1170 420 252 GLU H H 8.219 0.005 1 1171 420 252 GLU C C 176.399 0.033 1 1172 420 252 GLU CA C 56.292 0.033 1 1173 420 252 GLU CB C 29.482 0.033 1 1174 420 252 GLU N N 119.546 0.036 1 1175 421 253 ASP H H 8.204 0.005 1 1176 421 253 ASP C C 175.974 0.033 1 1177 421 253 ASP CA C 54.107 0.033 1 1178 421 253 ASP CB C 40.686 0.033 1 1179 421 253 ASP N N 120.306 0.036 1 1180 422 254 ASP H H 8.221 0.005 1 1181 422 254 ASP C C 176.054 0.033 1 1182 422 254 ASP CA C 53.975 0.033 1 1183 422 254 ASP CB C 40.553 0.033 1 1184 422 254 ASP N N 120.614 0.036 1 1185 423 255 VAL H H 7.968 0.005 1 1186 423 255 VAL C C 175.349 0.033 1 1187 423 255 VAL CA C 61.780 0.033 1 1188 423 255 VAL CB C 31.838 0.033 1 1189 423 255 VAL N N 119.406 0.036 1 1190 424 256 ASN H H 8.016 0.005 1 1191 424 256 ASN C C 179.502 0.033 1 1192 424 256 ASN CA C 54.590 0.033 1 1193 424 256 ASN CB C 40.018 0.033 1 1194 424 256 ASN N N 127.178 0.036 1 stop_ save_