data_27022 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C backbone resonance assignments of human phosphoglycerate kinase in a transition state analogue complex with ADP, 3-phosphoglycerate and magnesium trifluoride ; _BMRB_accession_number 27022 _BMRB_flat_file_name bmr27022.str _Entry_type original _Submission_date 2017-02-03 _Accession_date 2017-02-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; 1H, 15N, 13C backbone resonance assignments of human phosphoglycerate kinase in a transition state analogue complex with ADP, 3-phosphoglycerate and magnesium trifluoride. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serimbetov Zhalgas . . 2 Baxter Nicola J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 385 "13C chemical shifts" 1186 "15N chemical shifts" 385 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-06 update BMRB 'update entry citation' 2017-09-06 original author 'original release' stop_ _Original_release_date 2017-02-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, 13C backbone resonance assignments of human phosphoglycerate kinase in a transition state analogue complex with ADP, 3-phosphoglycerate and magnesium trifluoride ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28866776 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serimbetov Zhalgas . . 2 Baxter Nicola J. . 3 Cliff Matthew J. . 4 Waltho Jonathan P. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 251 _Page_last 256 _Year 2017 _Details . loop_ _Keyword 'Backbone resonance assignment' 'Magnesium trifluoride' 'Phosphoryl transfer enzyme' 'Transition state analogue' 'Transverse relaxation optimised spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PGK:3PG:MgF3:ADP:Mg2+ _Enzyme_commission_number 'EC 2.7.2.3' loop_ _Mol_system_component_name _Mol_label PGK $PGK ADP $entity_ADP 3PG $entity_3PG MgF3- $entity_MGF Mg2+ $entity_MG stop_ _System_molecular_weight 45333.553 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Transition state analogue of phosphoryl transfer' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PGK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PGK _Molecular_mass 44614.69 _Mol_thiol_state 'all free' loop_ _Biological_function 'PGK catalyses the formation of ATP from ADP and 1,3-bisphosphoglycerate in glycolysis' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 417 _Mol_residue_sequence ; MSLSNKLTLDKLDVKGKRVV MRVDFNVPMKNNQITNNQRI KAAVPSIKFCLDNGAKSVVL MSHLGRPDGVPMPDKYSLEP VAVELKSLLGKDVLFLKDCV GPEVEKACANPAAGSVILLE NLRFHVEEEGKGKDASGNKV KAEPAKIEAFRASLSKLGDV YVNDAFGTAHRAHSSMVGVN LPQKAGGFLMKKELNYFAKA LESPERPFLAILGGAKVADK IQLINNMLDKVNEMIIGGGM AFTFLKVLNNMEIGTSLFDE EGAKIVKDLMSKAEKNGVKI TLPVDFVTADKFDENAKTGQ ATVASGIPAGWMGLDCGPES SKKYAEAVTRAKQIVWNGPV GVFEWEAFARGTKALMDEVV KATSRGCITIIGGGDTATCC AKWNTEDKVSHVSTGGGASL ELLEGKVLPGVDALSNI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 SER 3 2 LEU 4 3 SER 5 4 ASN 6 5 LYS 7 6 LEU 8 7 THR 9 8 LEU 10 9 ASP 11 10 LYS 12 11 LEU 13 12 ASP 14 13 VAL 15 14 LYS 16 15 GLY 17 16 LYS 18 17 ARG 19 18 VAL 20 19 VAL 21 20 MET 22 21 ARG 23 22 VAL 24 23 ASP 25 24 PHE 26 25 ASN 27 26 VAL 28 27 PRO 29 28 MET 30 29 LYS 31 30 ASN 32 31 ASN 33 32 GLN 34 33 ILE 35 34 THR 36 35 ASN 37 36 ASN 38 37 GLN 39 38 ARG 40 39 ILE 41 40 LYS 42 41 ALA 43 42 ALA 44 43 VAL 45 44 PRO 46 45 SER 47 46 ILE 48 47 LYS 49 48 PHE 50 49 CYS 51 50 LEU 52 51 ASP 53 52 ASN 54 53 GLY 55 54 ALA 56 55 LYS 57 56 SER 58 57 VAL 59 58 VAL 60 59 LEU 61 60 MET 62 61 SER 63 62 HIS 64 63 LEU 65 64 GLY 66 65 ARG 67 66 PRO 68 67 ASP 69 68 GLY 70 69 VAL 71 70 PRO 72 71 MET 73 72 PRO 74 73 ASP 75 74 LYS 76 75 TYR 77 76 SER 78 77 LEU 79 78 GLU 80 79 PRO 81 80 VAL 82 81 ALA 83 82 VAL 84 83 GLU 85 84 LEU 86 85 LYS 87 86 SER 88 87 LEU 89 88 LEU 90 89 GLY 91 90 LYS 92 91 ASP 93 92 VAL 94 93 LEU 95 94 PHE 96 95 LEU 97 96 LYS 98 97 ASP 99 98 CYS 100 99 VAL 101 100 GLY 102 101 PRO 103 102 GLU 104 103 VAL 105 104 GLU 106 105 LYS 107 106 ALA 108 107 CYS 109 108 ALA 110 109 ASN 111 110 PRO 112 111 ALA 113 112 ALA 114 113 GLY 115 114 SER 116 115 VAL 117 116 ILE 118 117 LEU 119 118 LEU 120 119 GLU 121 120 ASN 122 121 LEU 123 122 ARG 124 123 PHE 125 124 HIS 126 125 VAL 127 126 GLU 128 127 GLU 129 128 GLU 130 129 GLY 131 130 LYS 132 131 GLY 133 132 LYS 134 133 ASP 135 134 ALA 136 135 SER 137 136 GLY 138 137 ASN 139 138 LYS 140 139 VAL 141 140 LYS 142 141 ALA 143 142 GLU 144 143 PRO 145 144 ALA 146 145 LYS 147 146 ILE 148 147 GLU 149 148 ALA 150 149 PHE 151 150 ARG 152 151 ALA 153 152 SER 154 153 LEU 155 154 SER 156 155 LYS 157 156 LEU 158 157 GLY 159 158 ASP 160 159 VAL 161 160 TYR 162 161 VAL 163 162 ASN 164 163 ASP 165 164 ALA 166 165 PHE 167 166 GLY 168 167 THR 169 168 ALA 170 169 HIS 171 170 ARG 172 171 ALA 173 172 HIS 174 173 SER 175 174 SER 176 175 MET 177 176 VAL 178 177 GLY 179 178 VAL 180 179 ASN 181 180 LEU 182 181 PRO 183 182 GLN 184 183 LYS 185 184 ALA 186 185 GLY 187 186 GLY 188 187 PHE 189 188 LEU 190 189 MET 191 190 LYS 192 191 LYS 193 192 GLU 194 193 LEU 195 194 ASN 196 195 TYR 197 196 PHE 198 197 ALA 199 198 LYS 200 199 ALA 201 200 LEU 202 201 GLU 203 202 SER 204 203 PRO 205 204 GLU 206 205 ARG 207 206 PRO 208 207 PHE 209 208 LEU 210 209 ALA 211 210 ILE 212 211 LEU 213 212 GLY 214 213 GLY 215 214 ALA 216 215 LYS 217 216 VAL 218 217 ALA 219 218 ASP 220 219 LYS 221 220 ILE 222 221 GLN 223 222 LEU 224 223 ILE 225 224 ASN 226 225 ASN 227 226 MET 228 227 LEU 229 228 ASP 230 229 LYS 231 230 VAL 232 231 ASN 233 232 GLU 234 233 MET 235 234 ILE 236 235 ILE 237 236 GLY 238 237 GLY 239 238 GLY 240 239 MET 241 240 ALA 242 241 PHE 243 242 THR 244 243 PHE 245 244 LEU 246 245 LYS 247 246 VAL 248 247 LEU 249 248 ASN 250 249 ASN 251 250 MET 252 251 GLU 253 252 ILE 254 253 GLY 255 254 THR 256 255 SER 257 256 LEU 258 257 PHE 259 258 ASP 260 259 GLU 261 260 GLU 262 261 GLY 263 262 ALA 264 263 LYS 265 264 ILE 266 265 VAL 267 266 LYS 268 267 ASP 269 268 LEU 270 269 MET 271 270 SER 272 271 LYS 273 272 ALA 274 273 GLU 275 274 LYS 276 275 ASN 277 276 GLY 278 277 VAL 279 278 LYS 280 279 ILE 281 280 THR 282 281 LEU 283 282 PRO 284 283 VAL 285 284 ASP 286 285 PHE 287 286 VAL 288 287 THR 289 288 ALA 290 289 ASP 291 290 LYS 292 291 PHE 293 292 ASP 294 293 GLU 295 294 ASN 296 295 ALA 297 296 LYS 298 297 THR 299 298 GLY 300 299 GLN 301 300 ALA 302 301 THR 303 302 VAL 304 303 ALA 305 304 SER 306 305 GLY 307 306 ILE 308 307 PRO 309 308 ALA 310 309 GLY 311 310 TRP 312 311 MET 313 312 GLY 314 313 LEU 315 314 ASP 316 315 CYS 317 316 GLY 318 317 PRO 319 318 GLU 320 319 SER 321 320 SER 322 321 LYS 323 322 LYS 324 323 TYR 325 324 ALA 326 325 GLU 327 326 ALA 328 327 VAL 329 328 THR 330 329 ARG 331 330 ALA 332 331 LYS 333 332 GLN 334 333 ILE 335 334 VAL 336 335 TRP 337 336 ASN 338 337 GLY 339 338 PRO 340 339 VAL 341 340 GLY 342 341 VAL 343 342 PHE 344 343 GLU 345 344 TRP 346 345 GLU 347 346 ALA 348 347 PHE 349 348 ALA 350 349 ARG 351 350 GLY 352 351 THR 353 352 LYS 354 353 ALA 355 354 LEU 356 355 MET 357 356 ASP 358 357 GLU 359 358 VAL 360 359 VAL 361 360 LYS 362 361 ALA 363 362 THR 364 363 SER 365 364 ARG 366 365 GLY 367 366 CYS 368 367 ILE 369 368 THR 370 369 ILE 371 370 ILE 372 371 GLY 373 372 GLY 374 373 GLY 375 374 ASP 376 375 THR 377 376 ALA 378 377 THR 379 378 CYS 380 379 CYS 381 380 ALA 382 381 LYS 383 382 TRP 384 383 ASN 385 384 THR 386 385 GLU 387 386 ASP 388 387 LYS 389 388 VAL 390 389 SER 391 390 HIS 392 391 VAL 393 392 SER 394 393 THR 395 394 GLY 396 395 GLY 397 396 GLY 398 397 ALA 399 398 SER 400 399 LEU 401 400 GLU 402 401 LEU 403 402 LEU 404 403 GLU 405 404 GLY 406 405 LYS 407 406 VAL 408 407 LEU 409 408 PRO 410 409 GLY 411 410 VAL 412 411 ASP 413 412 ALA 414 413 LEU 415 414 SER 416 415 ASN 417 416 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2WZB 'PGK:3PG:MgF3:ADP TSA complex' . . . . . PDB 2XE6 'PGK:3PG complex' . . . . . stop_ save_ ############# # Ligands # ############# save_ADP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ADP (ADENOSINE-5'-DIPHOSPHATE)" _BMRB_code ADP _PDB_code ADP _Molecular_mass 427.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_3PG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_3PG (3-PHOSPHOGLYCERIC ACID)" _BMRB_code 3PG _PDB_code 3PG _Molecular_mass 186.057 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 C . 0 . ? O3 O3 O . 0 . ? C3 C3 C . 0 . ? O1P O1P O . 0 . ? P P P . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? O4P O4P O . 0 . ? HO2 HO2 H . 0 . ? H2 H2 H . 0 . ? HO3 HO3 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? HOP3 HOP3 H . 0 . ? HOP4 HOP4 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 O3 ? ? SING C2 C3 ? ? SING C2 H2 ? ? SING O3 HO3 ? ? SING C3 O1P ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING O1P P ? ? DOUB P O2P ? ? SING P O3P ? ? SING P O4P ? ? SING O3P HOP3 ? ? SING O4P HOP4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_MGF _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MGF (TRIFLUOROMAGNESATE)" _BMRB_code MGF _PDB_code MGF _Molecular_mass 81.300 _Mol_charge -1 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons F1 F1 F . 0 . ? MG MG MG . -1 . ? F2 F2 F . 0 . ? F3 F3 F . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING F1 MG ? ? SING MG F2 ? ? SING MG F3 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MG (MAGNESIUM ION)" _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PGK Human 9606 Eukaryota Metazoa Homo sapiens 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 $PGK 'recombinant technology' . Escherichia coli BL21(DE3) pET-3a 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 $PGK 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $entity_ADP 10 mM 'natural abundance' $entity_3PG 10 mM 'natural abundance' $entity_MG 5 mM 'natural abundance' NH4F 30 mM 'natural abundance' DTT 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.04 '% v/v' 'natural abundance' TRIS 50 mM 'natural abundance' H2O 90 '% v/v' 'natural abundance' D2O 10 '% v/v' '[U-100% 2H]' TSP 0.5 '% v/v' '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _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' 85 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 ; Systematic chem_shift offset: TROSY offset: amide protons and amide nitrogens; 2H isotope effect: all 13C. ; loop_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N TROSY' '3D TROSY-HNCA' '3D TROSY-HNCACB' '3D TROSY-HN(CO)CACB' '3D TROSY-HN(CA)CO' '3D TROSY-HNCO' 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 PGK _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 4 5 ASN C C 174.240 0.050 1 2 4 5 ASN CA C 52.916 0.050 1 3 4 5 ASN CB C 37.855 0.050 1 4 5 6 LYS H H 7.487 0.005 1 5 5 6 LYS C C 175.858 0.050 1 6 5 6 LYS CA C 51.760 0.050 1 7 5 6 LYS CB C 34.127 0.050 1 8 5 6 LYS N N 117.147 0.050 1 9 6 7 LEU H H 8.385 0.005 1 10 6 7 LEU C C 175.548 0.050 1 11 6 7 LEU CA C 55.313 0.050 1 12 6 7 LEU CB C 41.428 0.050 1 13 6 7 LEU N N 122.636 0.050 1 14 7 8 THR H H 6.809 0.005 1 15 7 8 THR C C 176.218 0.050 1 16 7 8 THR CA C 59.051 0.050 1 17 7 8 THR CB C 71.203 0.050 1 18 7 8 THR N N 113.081 0.050 1 19 8 9 LEU H H 8.120 0.005 1 20 8 9 LEU C C 174.339 0.050 1 21 8 9 LEU CA C 56.982 0.050 1 22 8 9 LEU CB C 42.449 0.050 1 23 8 9 LEU N N 121.183 0.050 1 24 9 10 ASP H H 8.518 0.005 1 25 9 10 ASP C C 176.375 0.050 1 26 9 10 ASP CA C 54.637 0.050 1 27 9 10 ASP CB C 38.506 0.050 1 28 9 10 ASP N N 109.839 0.050 1 29 10 11 LYS H H 7.540 0.005 1 30 10 11 LYS C C 175.324 0.050 1 31 10 11 LYS CA C 54.407 0.050 1 32 10 11 LYS CB C 32.130 0.050 1 33 10 11 LYS N N 117.865 0.050 1 34 11 12 LEU H H 7.512 0.005 1 35 11 12 LEU C C 174.956 0.050 1 36 11 12 LEU CA C 53.448 0.050 1 37 11 12 LEU CB C 43.715 0.050 1 38 11 12 LEU N N 123.212 0.050 1 39 12 13 ASP H H 8.422 0.005 1 40 12 13 ASP C C 176.626 0.050 1 41 12 13 ASP CA C 52.971 0.050 1 42 12 13 ASP CB C 39.747 0.050 1 43 12 13 ASP N N 125.470 0.050 1 44 13 14 VAL H H 8.072 0.005 1 45 13 14 VAL C C 175.901 0.050 1 46 13 14 VAL CA C 60.017 0.050 1 47 13 14 VAL CB C 31.142 0.050 1 48 13 14 VAL N N 116.965 0.050 1 49 14 15 LYS H H 7.733 0.005 1 50 14 15 LYS C C 178.725 0.050 1 51 14 15 LYS CA C 58.576 0.050 1 52 14 15 LYS CB C 30.515 0.050 1 53 14 15 LYS N N 124.834 0.050 1 54 15 16 GLY H H 8.575 0.005 1 55 15 16 GLY C C 173.939 0.050 1 56 15 16 GLY CA C 45.449 0.050 1 57 15 16 GLY N N 115.227 0.050 1 58 16 17 LYS H H 8.169 0.005 1 59 16 17 LYS C C 176.546 0.050 1 60 16 17 LYS CA C 54.042 0.050 1 61 16 17 LYS CB C 33.191 0.050 1 62 16 17 LYS N N 118.208 0.050 1 63 17 18 ARG H H 9.423 0.005 1 64 17 18 ARG C C 176.537 0.050 1 65 17 18 ARG CA C 54.754 0.050 1 66 17 18 ARG CB C 29.179 0.050 1 67 17 18 ARG N N 123.705 0.050 1 68 18 19 VAL H H 8.863 0.005 1 69 18 19 VAL C C 174.721 0.050 1 70 18 19 VAL CA C 61.249 0.050 1 71 18 19 VAL CB C 32.309 0.050 1 72 18 19 VAL N N 129.833 0.050 1 73 19 20 VAL H H 8.630 0.005 1 74 19 20 VAL C C 172.691 0.050 1 75 19 20 VAL CA C 59.651 0.050 1 76 19 20 VAL CB C 32.267 0.050 1 77 19 20 VAL N N 128.011 0.050 1 78 20 21 MET H H 9.773 0.005 1 79 20 21 MET C C 174.432 0.050 1 80 20 21 MET CA C 52.324 0.050 1 81 20 21 MET CB C 36.010 0.050 1 82 20 21 MET N N 130.341 0.050 1 83 21 22 ARG H H 8.314 0.005 1 84 21 22 ARG C C 175.232 0.050 1 85 21 22 ARG CA C 54.994 0.050 1 86 21 22 ARG CB C 30.292 0.050 1 87 21 22 ARG N N 130.674 0.050 1 88 22 23 VAL H H 8.373 0.005 1 89 22 23 VAL C C 175.114 0.050 1 90 22 23 VAL CA C 58.589 0.050 1 91 22 23 VAL CB C 35.251 0.050 1 92 22 23 VAL N N 118.665 0.050 1 93 23 24 ASP H H 9.391 0.005 1 94 23 24 ASP C C 175.794 0.050 1 95 23 24 ASP CA C 52.788 0.050 1 96 23 24 ASP CB C 39.657 0.050 1 97 23 24 ASP N N 121.444 0.050 1 98 24 25 PHE H H 8.542 0.005 1 99 24 25 PHE C C 173.794 0.050 1 100 24 25 PHE CA C 50.633 0.050 1 101 24 25 PHE CB C 35.532 0.050 1 102 24 25 PHE N N 122.240 0.050 1 103 25 26 ASN H H 9.073 0.005 1 104 25 26 ASN C C 176.373 0.050 1 105 25 26 ASN CA C 51.922 0.050 1 106 25 26 ASN CB C 35.367 0.050 1 107 25 26 ASN N N 119.378 0.050 1 108 26 27 VAL H H 7.643 0.005 1 109 26 27 VAL C C 172.405 0.050 1 110 26 27 VAL CA C 57.877 0.050 1 111 26 27 VAL CB C 29.388 0.050 1 112 26 27 VAL N N 120.245 0.050 1 113 27 28 PRO C C 176.680 0.050 1 114 27 28 PRO CA C 62.440 0.050 1 115 27 28 PRO CB C 29.924 0.050 1 116 28 29 MET H H 8.195 0.005 1 117 28 29 MET C C 176.296 0.050 1 118 28 29 MET CA C 53.934 0.050 1 119 28 29 MET CB C 37.871 0.050 1 120 28 29 MET N N 119.468 0.050 1 121 29 30 LYS H H 8.793 0.005 1 122 29 30 LYS C C 176.514 0.050 1 123 29 30 LYS CA C 55.498 0.050 1 124 29 30 LYS CB C 33.784 0.050 1 125 29 30 LYS N N 123.135 0.050 1 126 31 32 ASN C C 172.919 0.050 1 127 31 32 ASN CA C 54.582 0.050 1 128 31 32 ASN CB C 37.029 0.050 1 129 32 33 GLN H H 7.586 0.005 1 130 32 33 GLN C C 175.160 0.050 1 131 32 33 GLN CA C 53.267 0.050 1 132 32 33 GLN CB C 29.660 0.050 1 133 32 33 GLN N N 116.792 0.050 1 134 33 34 ILE H H 8.679 0.005 1 135 33 34 ILE C C 177.877 0.050 1 136 33 34 ILE CA C 61.716 0.050 1 137 33 34 ILE CB C 37.896 0.050 1 138 33 34 ILE N N 125.258 0.050 1 139 34 35 THR H H 8.707 0.005 1 140 34 35 THR C C 175.454 0.050 1 141 34 35 THR CA C 62.246 0.050 1 142 34 35 THR CB C 67.776 0.050 1 143 34 35 THR N N 120.708 0.050 1 144 35 36 ASN H H 6.269 0.005 1 145 35 36 ASN C C 175.153 0.050 1 146 35 36 ASN CA C 52.715 0.050 1 147 35 36 ASN CB C 39.775 0.050 1 148 35 36 ASN N N 115.870 0.050 1 149 36 37 ASN H H 8.731 0.005 1 150 36 37 ASN C C 176.730 0.050 1 151 36 37 ASN CA C 51.305 0.050 1 152 36 37 ASN CB C 37.032 0.050 1 153 36 37 ASN N N 126.181 0.050 1 154 37 38 GLN H H 7.443 0.005 1 155 37 38 GLN C C 178.096 0.050 1 156 37 38 GLN CA C 60.178 0.050 1 157 37 38 GLN CB C 26.550 0.050 1 158 37 38 GLN N N 124.121 0.050 1 159 38 39 ARG H H 9.919 0.005 1 160 38 39 ARG C C 178.912 0.050 1 161 38 39 ARG CA C 60.577 0.050 1 162 38 39 ARG CB C 28.816 0.050 1 163 38 39 ARG N N 118.178 0.050 1 164 39 40 ILE H H 6.960 0.005 1 165 39 40 ILE C C 177.558 0.050 1 166 39 40 ILE CA C 62.266 0.050 1 167 39 40 ILE CB C 37.648 0.050 1 168 39 40 ILE N N 115.036 0.050 1 169 40 41 LYS H H 7.695 0.005 1 170 40 41 LYS C C 179.739 0.050 1 171 40 41 LYS CA C 59.226 0.050 1 172 40 41 LYS CB C 31.438 0.050 1 173 40 41 LYS N N 117.280 0.050 1 174 41 42 ALA H H 8.073 0.005 1 175 41 42 ALA C C 178.389 0.050 1 176 41 42 ALA CA C 53.666 0.050 1 177 41 42 ALA CB C 19.304 0.050 1 178 41 42 ALA N N 118.480 0.050 1 179 42 43 ALA H H 7.327 0.005 1 180 42 43 ALA C C 176.663 0.050 1 181 42 43 ALA CA C 52.488 0.050 1 182 42 43 ALA CB C 19.459 0.050 1 183 42 43 ALA N N 119.097 0.050 1 184 43 44 VAL H H 7.359 0.005 1 185 43 44 VAL C C 172.985 0.050 1 186 43 44 VAL CA C 68.305 0.050 1 187 43 44 VAL CB C 32.853 0.050 1 188 43 44 VAL N N 118.099 0.050 1 189 44 45 PRO C C 180.428 0.050 1 190 44 45 PRO CA C 66.768 0.050 1 191 44 45 PRO CB C 29.866 0.050 1 192 45 46 SER H H 8.135 0.005 1 193 45 46 SER C C 175.870 0.050 1 194 45 46 SER CA C 62.230 0.050 1 195 45 46 SER CB C 63.281 0.050 1 196 45 46 SER N N 115.902 0.050 1 197 46 47 ILE H H 7.682 0.005 1 198 46 47 ILE C C 177.827 0.050 1 199 46 47 ILE CA C 66.455 0.050 1 200 46 47 ILE CB C 37.827 0.050 1 201 46 47 ILE N N 123.662 0.050 1 202 47 48 LYS H H 9.209 0.005 1 203 47 48 LYS C C 177.683 0.050 1 204 47 48 LYS CA C 59.261 0.050 1 205 47 48 LYS CB C 31.327 0.050 1 206 47 48 LYS N N 118.874 0.050 1 207 48 49 PHE H H 8.091 0.005 1 208 48 49 PHE C C 178.998 0.050 1 209 48 49 PHE CA C 61.343 0.050 1 210 48 49 PHE CB C 39.125 0.050 1 211 48 49 PHE N N 118.663 0.050 1 212 49 50 CYS C C 176.104 0.050 1 213 49 50 CYS CB C 28.205 0.050 1 214 50 51 LEU H H 7.759 0.005 1 215 50 51 LEU C C 181.013 0.050 1 216 50 51 LEU CA C 57.337 0.050 1 217 50 51 LEU CB C 40.038 0.050 1 218 50 51 LEU N N 119.606 0.050 1 219 51 52 ASP H H 9.211 0.005 1 220 51 52 ASP C C 177.341 0.050 1 221 51 52 ASP CA C 56.361 0.050 1 222 51 52 ASP CB C 39.125 0.050 1 223 51 52 ASP N N 121.583 0.050 1 224 52 53 ASN H H 7.079 0.005 1 225 52 53 ASN C C 174.257 0.050 1 226 52 53 ASN CA C 53.357 0.050 1 227 52 53 ASN CB C 37.675 0.050 1 228 52 53 ASN N N 115.723 0.050 1 229 53 54 GLY H H 7.310 0.005 1 230 53 54 GLY C C 176.492 0.050 1 231 53 54 GLY CA C 46.306 0.050 1 232 53 54 GLY N N 103.545 0.050 1 233 54 55 ALA H H 8.232 0.005 1 234 54 55 ALA C C 177.631 0.050 1 235 54 55 ALA CA C 53.134 0.050 1 236 54 55 ALA CB C 17.288 0.050 1 237 54 55 ALA N N 125.428 0.050 1 238 55 56 LYS H H 8.516 0.005 1 239 55 56 LYS C C 175.888 0.050 1 240 55 56 LYS CA C 58.465 0.050 1 241 55 56 LYS CB C 32.129 0.050 1 242 55 56 LYS N N 124.092 0.050 1 243 56 57 SER H H 7.289 0.005 1 244 56 57 SER C C 173.383 0.050 1 245 56 57 SER CA C 55.527 0.050 1 246 56 57 SER CB C 64.764 0.050 1 247 56 57 SER N N 105.604 0.050 1 248 57 58 VAL H H 8.482 0.005 1 249 57 58 VAL C C 173.259 0.050 1 250 57 58 VAL CA C 61.447 0.050 1 251 57 58 VAL CB C 33.396 0.050 1 252 57 58 VAL N N 119.899 0.050 1 253 58 59 VAL H H 9.289 0.005 1 254 58 59 VAL C C 174.066 0.050 1 255 58 59 VAL CA C 60.468 0.050 1 256 58 59 VAL CB C 31.818 0.050 1 257 58 59 VAL N N 129.017 0.050 1 258 59 60 LEU H H 9.526 0.005 1 259 59 60 LEU C C 175.127 0.050 1 260 59 60 LEU CA C 52.860 0.050 1 261 59 60 LEU CB C 44.021 0.050 1 262 59 60 LEU N N 127.689 0.050 1 263 60 61 MET H H 8.020 0.005 1 264 60 61 MET C C 173.987 0.050 1 265 60 61 MET CA C 52.099 0.050 1 266 60 61 MET CB C 34.670 0.050 1 267 60 61 MET N N 115.760 0.050 1 268 61 62 SER H H 9.955 0.005 1 269 61 62 SER C C 172.900 0.050 1 270 61 62 SER CA C 56.184 0.050 1 271 61 62 SER CB C 63.462 0.050 1 272 61 62 SER N N 114.526 0.050 1 273 62 63 HIS H H 7.233 0.005 1 274 62 63 HIS C C 174.135 0.050 1 275 62 63 HIS CA C 55.119 0.050 1 276 62 63 HIS CB C 33.976 0.050 1 277 62 63 HIS N N 118.213 0.050 1 278 63 64 LEU H H 6.562 0.005 1 279 63 64 LEU C C 175.634 0.050 1 280 63 64 LEU CA C 55.855 0.050 1 281 63 64 LEU CB C 42.900 0.050 1 282 63 64 LEU N N 120.197 0.050 1 283 64 65 GLY H H 8.960 0.005 1 284 64 65 GLY C C 170.975 0.050 1 285 64 65 GLY CA C 44.602 0.050 1 286 64 65 GLY N N 114.257 0.050 1 287 65 66 ARG H H 7.050 0.005 1 288 65 66 ARG C C 173.345 0.050 1 289 65 66 ARG CA C 53.636 0.050 1 290 65 66 ARG CB C 30.406 0.050 1 291 65 66 ARG N N 115.136 0.050 1 292 66 67 PRO C C 176.434 0.050 1 293 66 67 PRO CA C 63.311 0.050 1 294 66 67 PRO CB C 30.578 0.050 1 295 67 68 ASP H H 8.567 0.005 1 296 67 68 ASP C C 176.076 0.050 1 297 67 68 ASP CA C 54.544 0.050 1 298 67 68 ASP CB C 38.748 0.050 1 299 67 68 ASP N N 115.602 0.050 1 300 68 69 GLY H H 7.378 0.005 1 301 68 69 GLY C C 172.802 0.050 1 302 68 69 GLY CA C 46.110 0.050 1 303 68 69 GLY N N 102.080 0.050 1 304 69 70 VAL H H 6.952 0.005 1 305 69 70 VAL C C 173.657 0.050 1 306 69 70 VAL CA C 57.479 0.050 1 307 69 70 VAL CB C 33.464 0.050 1 308 69 70 VAL N N 118.676 0.050 1 309 70 71 PRO C C 176.920 0.050 1 310 70 71 PRO CA C 67.723 0.050 1 311 70 71 PRO CB C 29.300 0.050 1 312 71 72 MET H H 7.392 0.005 1 313 71 72 MET C C 176.921 0.050 1 314 71 72 MET CA C 55.877 0.050 1 315 71 72 MET CB C 32.032 0.050 1 316 71 72 MET N N 119.758 0.050 1 317 72 73 PRO C C 175.953 0.050 1 318 72 73 PRO CA C 64.766 0.050 1 319 72 73 PRO CB C 30.656 0.050 1 320 73 74 ASP H H 8.621 0.005 1 321 73 74 ASP C C 176.168 0.050 1 322 73 74 ASP CA C 55.105 0.050 1 323 73 74 ASP CB C 38.974 0.050 1 324 73 74 ASP N N 116.620 0.050 1 325 74 75 LYS H H 7.105 0.005 1 326 74 75 LYS C C 176.514 0.050 1 327 74 75 LYS CA C 56.395 0.050 1 328 74 75 LYS CB C 35.280 0.050 1 329 74 75 LYS N N 116.850 0.050 1 330 75 76 TYR H H 8.005 0.005 1 331 75 76 TYR C C 175.213 0.050 1 332 75 76 TYR CA C 55.273 0.050 1 333 75 76 TYR CB C 39.319 0.050 1 334 75 76 TYR N N 114.589 0.050 1 335 76 77 SER H H 7.919 0.005 1 336 76 77 SER C C 176.370 0.050 1 337 76 77 SER CA C 57.023 0.050 1 338 76 77 SER CB C 63.684 0.050 1 339 76 77 SER N N 114.448 0.050 1 340 77 78 LEU H H 10.277 0.005 1 341 77 78 LEU C C 177.334 0.050 1 342 77 78 LEU CA C 54.730 0.050 1 343 77 78 LEU CB C 42.358 0.050 1 344 77 78 LEU N N 127.715 0.050 1 345 78 79 GLU H H 7.992 0.005 1 346 78 79 GLU C C 174.416 0.050 1 347 78 79 GLU CA C 61.275 0.050 1 348 78 79 GLU CB C 25.766 0.050 1 349 78 79 GLU N N 126.177 0.050 1 350 79 80 PRO C C 180.234 0.050 1 351 79 80 PRO CA C 65.326 0.050 1 352 79 80 PRO CB C 30.237 0.050 1 353 80 81 VAL H H 7.457 0.005 1 354 80 81 VAL C C 176.693 0.050 1 355 80 81 VAL CA C 64.966 0.050 1 356 80 81 VAL CB C 29.041 0.050 1 357 80 81 VAL N N 118.019 0.050 1 358 81 82 ALA H H 7.394 0.005 1 359 81 82 ALA C C 179.085 0.050 1 360 81 82 ALA CA C 55.474 0.050 1 361 81 82 ALA CB C 16.791 0.050 1 362 81 82 ALA N N 123.666 0.050 1 363 82 83 VAL H H 6.927 0.005 1 364 82 83 VAL C C 178.490 0.050 1 365 82 83 VAL CA C 65.847 0.050 1 366 82 83 VAL CB C 31.084 0.050 1 367 82 83 VAL N N 117.025 0.050 1 368 83 84 GLU H H 7.167 0.005 1 369 83 84 GLU C C 178.802 0.050 1 370 83 84 GLU CA C 57.755 0.050 1 371 83 84 GLU CB C 28.617 0.050 1 372 83 84 GLU N N 122.020 0.050 1 373 84 85 LEU H H 8.701 0.005 1 374 84 85 LEU C C 177.628 0.050 1 375 84 85 LEU CA C 57.239 0.050 1 376 84 85 LEU CB C 40.779 0.050 1 377 84 85 LEU N N 119.763 0.050 1 378 85 86 LYS H H 7.753 0.005 1 379 85 86 LYS C C 179.884 0.050 1 380 85 86 LYS CA C 58.889 0.050 1 381 85 86 LYS CB C 31.383 0.050 1 382 85 86 LYS N N 120.356 0.050 1 383 86 87 SER H H 7.149 0.005 1 384 86 87 SER C C 176.744 0.050 1 385 86 87 SER CA C 60.413 0.050 1 386 86 87 SER CB C 62.048 0.050 1 387 86 87 SER N N 114.445 0.050 1 388 87 88 LEU H H 7.820 0.005 1 389 87 88 LEU C C 179.157 0.050 1 390 87 88 LEU CA C 56.570 0.050 1 391 87 88 LEU CB C 41.933 0.050 1 392 87 88 LEU N N 120.459 0.050 1 393 88 89 LEU H H 8.632 0.005 1 394 88 89 LEU C C 177.891 0.050 1 395 88 89 LEU CA C 54.663 0.050 1 396 88 89 LEU CB C 42.864 0.050 1 397 88 89 LEU N N 115.645 0.050 1 398 89 90 GLY H H 7.884 0.005 1 399 89 90 GLY C C 173.803 0.050 1 400 89 90 GLY CA C 45.881 0.050 1 401 89 90 GLY N N 108.120 0.050 1 402 90 91 LYS H H 7.019 0.005 1 403 90 91 LYS C C 173.288 0.050 1 404 90 91 LYS CA C 53.330 0.050 1 405 90 91 LYS CB C 35.288 0.050 1 406 90 91 LYS N N 117.230 0.050 1 407 91 92 ASP H H 7.991 0.005 1 408 91 92 ASP C C 175.048 0.050 1 409 91 92 ASP CA C 55.062 0.050 1 410 91 92 ASP CB C 40.474 0.050 1 411 91 92 ASP N N 118.542 0.050 1 412 92 93 VAL H H 7.406 0.005 1 413 92 93 VAL C C 175.070 0.050 1 414 92 93 VAL CA C 60.374 0.050 1 415 92 93 VAL CB C 34.480 0.050 1 416 92 93 VAL N N 120.938 0.050 1 417 93 94 LEU H H 8.631 0.005 1 418 93 94 LEU C C 173.812 0.050 1 419 93 94 LEU CA C 53.950 0.050 1 420 93 94 LEU CB C 41.573 0.050 1 421 93 94 LEU N N 130.940 0.050 1 422 94 95 PHE H H 8.523 0.005 1 423 94 95 PHE C C 174.683 0.050 1 424 94 95 PHE CA C 55.696 0.050 1 425 94 95 PHE CB C 39.936 0.050 1 426 94 95 PHE N N 128.031 0.050 1 427 95 96 LEU H H 7.815 0.005 1 428 95 96 LEU C C 174.335 0.050 1 429 95 96 LEU CA C 52.105 0.050 1 430 95 96 LEU CB C 42.003 0.050 1 431 95 96 LEU N N 128.968 0.050 1 432 96 97 LYS H H 7.696 0.005 1 433 96 97 LYS C C 175.353 0.050 1 434 96 97 LYS CA C 56.694 0.050 1 435 96 97 LYS CB C 30.745 0.050 1 436 96 97 LYS N N 114.123 0.050 1 437 97 98 ASP H H 7.313 0.005 1 438 97 98 ASP C C 173.376 0.050 1 439 97 98 ASP CA C 51.474 0.050 1 440 97 98 ASP CB C 43.592 0.050 1 441 97 98 ASP N N 119.146 0.050 1 442 98 99 CYS H H 10.637 0.005 1 443 98 99 CYS C C 170.313 0.050 1 444 98 99 CYS CA C 55.598 0.050 1 445 98 99 CYS CB C 30.618 0.050 1 446 98 99 CYS N N 114.399 0.050 1 447 99 100 VAL H H 6.796 0.005 1 448 99 100 VAL C C 176.222 0.050 1 449 99 100 VAL CA C 58.788 0.050 1 450 99 100 VAL CB C 36.560 0.050 1 451 99 100 VAL N N 109.738 0.050 1 452 100 101 GLY H H 8.016 0.005 1 453 100 101 GLY C C 172.626 0.050 1 454 100 101 GLY CA C 44.003 0.050 1 455 100 101 GLY N N 107.683 0.050 1 456 101 102 PRO C C 179.507 0.050 1 457 101 102 PRO CA C 65.119 0.050 1 458 101 102 PRO CB C 31.184 0.050 1 459 102 103 GLU H H 8.112 0.005 1 460 102 103 GLU C C 179.751 0.050 1 461 102 103 GLU CA C 59.114 0.050 1 462 102 103 GLU CB C 27.990 0.050 1 463 102 103 GLU N N 118.179 0.050 1 464 103 104 VAL H H 7.524 0.005 1 465 103 104 VAL C C 177.908 0.050 1 466 103 104 VAL CA C 65.603 0.050 1 467 103 104 VAL CB C 30.944 0.050 1 468 103 104 VAL N N 123.568 0.050 1 469 104 105 GLU H H 8.262 0.005 1 470 104 105 GLU C C 179.852 0.050 1 471 104 105 GLU CA C 58.992 0.050 1 472 104 105 GLU CB C 28.093 0.050 1 473 104 105 GLU N N 118.564 0.050 1 474 105 106 LYS H H 7.741 0.005 1 475 105 106 LYS C C 178.980 0.050 1 476 105 106 LYS CA C 58.855 0.050 1 477 105 106 LYS CB C 31.237 0.050 1 478 105 106 LYS N N 118.195 0.050 1 479 106 107 ALA H H 7.444 0.005 1 480 106 107 ALA C C 179.086 0.050 1 481 106 107 ALA CA C 54.183 0.050 1 482 106 107 ALA CB C 18.200 0.050 1 483 106 107 ALA N N 121.496 0.050 1 484 107 108 CYS H H 7.292 0.005 1 485 107 108 CYS C C 176.741 0.050 1 486 107 108 CYS CA C 59.353 0.050 1 487 107 108 CYS CB C 28.402 0.050 1 488 107 108 CYS N N 110.149 0.050 1 489 108 109 ALA H H 7.368 0.005 1 490 108 109 ALA C C 177.789 0.050 1 491 108 109 ALA CA C 55.513 0.050 1 492 108 109 ALA CB C 17.695 0.050 1 493 108 109 ALA N N 127.187 0.050 1 494 109 110 ASN H H 8.429 0.005 1 495 109 110 ASN C C 170.396 0.050 1 496 109 110 ASN CA C 51.201 0.050 1 497 109 110 ASN CB C 37.261 0.050 1 498 109 110 ASN N N 113.356 0.050 1 499 110 111 PRO C C 175.032 0.050 1 500 110 111 PRO CA C 61.628 0.050 1 501 110 111 PRO CB C 31.331 0.050 1 502 111 112 ALA H H 8.102 0.005 1 503 111 112 ALA C C 178.461 0.050 1 504 111 112 ALA CA C 51.584 0.050 1 505 111 112 ALA CB C 17.440 0.050 1 506 111 112 ALA N N 121.989 0.050 1 507 112 113 ALA H H 8.366 0.005 1 508 112 113 ALA C C 179.362 0.050 1 509 112 113 ALA CA C 53.154 0.050 1 510 112 113 ALA CB C 17.084 0.050 1 511 112 113 ALA N N 125.090 0.050 1 512 113 114 GLY H H 8.552 0.005 1 513 113 114 GLY C C 173.687 0.050 1 514 113 114 GLY CA C 44.797 0.050 1 515 113 114 GLY N N 112.063 0.050 1 516 114 115 SER H H 7.573 0.005 1 517 114 115 SER C C 172.112 0.050 1 518 114 115 SER CA C 60.730 0.050 1 519 114 115 SER CB C 64.031 0.050 1 520 114 115 SER N N 116.642 0.050 1 521 115 116 VAL H H 8.497 0.005 1 522 115 116 VAL C C 174.331 0.050 1 523 115 116 VAL CA C 61.169 0.050 1 524 115 116 VAL CB C 31.349 0.050 1 525 115 116 VAL N N 123.801 0.050 1 526 116 117 ILE H H 9.082 0.005 1 527 116 117 ILE C C 173.285 0.050 1 528 116 117 ILE CA C 59.279 0.050 1 529 116 117 ILE CB C 41.469 0.050 1 530 116 117 ILE N N 130.778 0.050 1 531 117 118 LEU H H 9.209 0.005 1 532 117 118 LEU C C 173.324 0.050 1 533 117 118 LEU CA C 52.857 0.050 1 534 117 118 LEU CB C 44.571 0.050 1 535 117 118 LEU N N 128.977 0.050 1 536 118 119 LEU H H 7.865 0.005 1 537 118 119 LEU C C 177.083 0.050 1 538 118 119 LEU CA C 53.034 0.050 1 539 118 119 LEU CB C 40.736 0.050 1 540 118 119 LEU N N 123.190 0.050 1 541 119 120 GLU H H 5.890 0.005 1 542 119 120 GLU C C 173.795 0.050 1 543 119 120 GLU CA C 54.305 0.050 1 544 119 120 GLU CB C 27.667 0.050 1 545 119 120 GLU N N 119.937 0.050 1 546 120 121 ASN H H 10.024 0.005 1 547 120 121 ASN C C 177.770 0.050 1 548 120 121 ASN CA C 53.175 0.050 1 549 120 121 ASN CB C 37.992 0.050 1 550 120 121 ASN N N 121.989 0.050 1 551 121 122 LEU H H 8.271 0.005 1 552 121 122 LEU C C 178.422 0.050 1 553 121 122 LEU CA C 57.522 0.050 1 554 121 122 LEU CB C 45.277 0.050 1 555 121 122 LEU N N 130.277 0.050 1 556 122 123 ARG H H 7.797 0.005 1 557 122 123 ARG C C 175.385 0.050 1 558 122 123 ARG CA C 56.791 0.050 1 559 122 123 ARG CB C 29.340 0.050 1 560 122 123 ARG N N 108.131 0.050 1 561 123 124 PHE H H 7.149 0.005 1 562 123 124 PHE C C 173.405 0.050 1 563 123 124 PHE CA C 53.901 0.050 1 564 123 124 PHE CB C 35.273 0.050 1 565 123 124 PHE N N 116.398 0.050 1 566 124 125 HIS H H 7.444 0.005 1 567 124 125 HIS C C 176.343 0.050 1 568 124 125 HIS CA C 53.505 0.050 1 569 124 125 HIS CB C 30.365 0.050 1 570 124 125 HIS N N 115.711 0.050 1 571 125 126 VAL H H 9.096 0.005 1 572 125 126 VAL C C 174.520 0.050 1 573 125 126 VAL CA C 63.570 0.050 1 574 125 126 VAL CB C 30.745 0.050 1 575 125 126 VAL N N 128.315 0.050 1 576 126 127 GLU H H 9.194 0.005 1 577 126 127 GLU C C 175.409 0.050 1 578 126 127 GLU CA C 59.224 0.050 1 579 126 127 GLU CB C 28.530 0.050 1 580 126 127 GLU N N 117.922 0.050 1 581 127 128 GLU H H 6.509 0.005 1 582 127 128 GLU C C 176.490 0.050 1 583 127 128 GLU CA C 57.904 0.050 1 584 127 128 GLU CB C 25.712 0.050 1 585 127 128 GLU N N 121.310 0.050 1 586 128 129 GLU H H 9.151 0.005 1 587 128 129 GLU C C 177.701 0.050 1 588 128 129 GLU CA C 57.615 0.050 1 589 128 129 GLU CB C 30.111 0.050 1 590 128 129 GLU N N 118.649 0.050 1 591 129 130 GLY H H 8.104 0.005 1 592 129 130 GLY C C 172.337 0.050 1 593 129 130 GLY CA C 44.911 0.050 1 594 129 130 GLY N N 106.006 0.050 1 595 130 131 LYS H H 7.364 0.005 1 596 130 131 LYS C C 173.037 0.050 1 597 130 131 LYS CA C 53.754 0.050 1 598 130 131 LYS CB C 32.850 0.050 1 599 130 131 LYS N N 117.774 0.050 1 600 131 132 GLY H H 8.101 0.005 1 601 131 132 GLY C C 172.171 0.050 1 602 131 132 GLY CA C 45.231 0.050 1 603 131 132 GLY N N 106.915 0.050 1 604 132 133 LYS H H 8.870 0.005 1 605 132 133 LYS C C 175.395 0.050 1 606 132 133 LYS CA C 54.251 0.050 1 607 132 133 LYS CB C 35.956 0.050 1 608 132 133 LYS N N 125.207 0.050 1 609 133 134 ASP H H 8.265 0.005 1 610 133 134 ASP C C 178.357 0.050 1 611 133 134 ASP CA C 51.239 0.050 1 612 133 134 ASP CB C 40.871 0.050 1 613 133 134 ASP N N 119.657 0.050 1 614 134 135 ALA H H 8.306 0.005 1 615 134 135 ALA C C 178.863 0.050 1 616 134 135 ALA CA C 54.074 0.050 1 617 134 135 ALA CB C 17.418 0.050 1 618 134 135 ALA N N 120.128 0.050 1 619 135 136 SER H H 7.888 0.005 1 620 135 136 SER C C 174.138 0.050 1 621 135 136 SER CA C 58.031 0.050 1 622 135 136 SER CB C 63.205 0.050 1 623 135 136 SER N N 113.064 0.050 1 624 136 137 GLY H H 7.985 0.005 1 625 136 137 GLY C C 174.088 0.050 1 626 136 137 GLY CA C 44.672 0.050 1 627 136 137 GLY N N 109.459 0.050 1 628 137 138 ASN H H 8.337 0.005 1 629 137 138 ASN C C 174.840 0.050 1 630 137 138 ASN CA C 52.420 0.050 1 631 137 138 ASN CB C 38.252 0.050 1 632 137 138 ASN N N 120.677 0.050 1 633 138 139 LYS H H 8.441 0.005 1 634 138 139 LYS C C 176.637 0.050 1 635 138 139 LYS CA C 56.878 0.050 1 636 138 139 LYS CB C 31.471 0.050 1 637 138 139 LYS N N 121.606 0.050 1 638 139 140 VAL H H 8.254 0.005 1 639 139 140 VAL C C 174.470 0.050 1 640 139 140 VAL CA C 59.370 0.050 1 641 139 140 VAL CB C 34.754 0.050 1 642 139 140 VAL N N 120.272 0.050 1 643 140 141 LYS H H 8.320 0.005 1 644 140 141 LYS C C 176.124 0.050 1 645 140 141 LYS CA C 54.433 0.050 1 646 140 141 LYS CB C 33.242 0.050 1 647 140 141 LYS N N 123.543 0.050 1 648 141 142 ALA H H 7.461 0.005 1 649 141 142 ALA C C 176.273 0.050 1 650 141 142 ALA CA C 50.365 0.050 1 651 141 142 ALA CB C 18.919 0.050 1 652 141 142 ALA N N 124.974 0.050 1 653 142 143 GLU H H 8.870 0.005 1 654 142 143 GLU C C 176.340 0.050 1 655 142 143 GLU CA C 53.620 0.050 1 656 142 143 GLU CB C 28.941 0.050 1 657 142 143 GLU N N 123.391 0.050 1 658 144 145 ALA C C 181.559 0.050 1 659 144 145 ALA CA C 54.725 0.050 1 660 144 145 ALA CB C 17.303 0.050 1 661 145 146 LYS H H 7.136 0.005 1 662 145 146 LYS C C 180.445 0.050 1 663 145 146 LYS CA C 58.197 0.050 1 664 145 146 LYS CB C 30.453 0.050 1 665 145 146 LYS N N 117.995 0.050 1 666 146 147 ILE H H 8.083 0.005 1 667 146 147 ILE C C 178.074 0.050 1 668 146 147 ILE CA C 65.903 0.050 1 669 146 147 ILE CB C 37.093 0.050 1 670 146 147 ILE N N 124.536 0.050 1 671 147 148 GLU H H 7.935 0.005 1 672 147 148 GLU C C 179.222 0.050 1 673 147 148 GLU CA C 58.998 0.050 1 674 147 148 GLU CB C 28.096 0.050 1 675 147 148 GLU N N 119.008 0.050 1 676 148 149 ALA H H 7.533 0.005 1 677 148 149 ALA C C 179.848 0.050 1 678 148 149 ALA CA C 54.501 0.050 1 679 148 149 ALA CB C 17.195 0.050 1 680 148 149 ALA N N 122.153 0.050 1 681 149 150 PHE H H 8.072 0.005 1 682 149 150 PHE C C 176.670 0.050 1 683 149 150 PHE CA C 61.069 0.050 1 684 149 150 PHE CB C 39.721 0.050 1 685 149 150 PHE N N 123.194 0.050 1 686 150 151 ARG H H 8.116 0.005 1 687 150 151 ARG C C 179.249 0.050 1 688 150 151 ARG CA C 59.418 0.050 1 689 150 151 ARG CB C 28.278 0.050 1 690 150 151 ARG N N 117.833 0.050 1 691 151 152 ALA H H 8.344 0.005 1 692 151 152 ALA C C 179.763 0.050 1 693 151 152 ALA CA C 54.344 0.050 1 694 151 152 ALA CB C 16.953 0.050 1 695 151 152 ALA N N 123.455 0.050 1 696 152 153 SER H H 7.474 0.005 1 697 152 153 SER C C 176.962 0.050 1 698 152 153 SER CA C 61.325 0.050 1 699 152 153 SER CB C 62.245 0.050 1 700 152 153 SER N N 114.835 0.050 1 701 153 154 LEU H H 7.395 0.005 1 702 153 154 LEU C C 179.043 0.050 1 703 153 154 LEU CA C 57.046 0.050 1 704 153 154 LEU CB C 41.628 0.050 1 705 153 154 LEU N N 116.959 0.050 1 706 154 155 SER H H 7.181 0.005 1 707 154 155 SER C C 173.509 0.050 1 708 154 155 SER CA C 60.489 0.050 1 709 154 155 SER CB C 62.257 0.050 1 710 154 155 SER N N 108.025 0.050 1 711 155 156 LYS H H 7.156 0.005 1 712 155 156 LYS C C 178.595 0.050 1 713 155 156 LYS CA C 56.343 0.050 1 714 155 156 LYS CB C 32.040 0.050 1 715 155 156 LYS N N 116.201 0.050 1 716 156 157 LEU H H 7.359 0.005 1 717 156 157 LEU C C 174.342 0.050 1 718 156 157 LEU CA C 55.607 0.050 1 719 156 157 LEU CB C 39.062 0.050 1 720 156 157 LEU N N 117.546 0.050 1 721 157 158 GLY H H 6.771 0.005 1 722 157 158 GLY C C 168.759 0.050 1 723 157 158 GLY CA C 44.047 0.050 1 724 157 158 GLY N N 98.798 0.050 1 725 158 159 ASP H H 9.396 0.005 1 726 158 159 ASP C C 176.470 0.050 1 727 158 159 ASP CA C 55.207 0.050 1 728 158 159 ASP CB C 44.879 0.050 1 729 158 159 ASP N N 115.227 0.050 1 730 159 160 VAL H H 7.831 0.005 1 731 159 160 VAL C C 171.487 0.050 1 732 159 160 VAL CA C 58.948 0.050 1 733 159 160 VAL CB C 34.791 0.050 1 734 159 160 VAL N N 112.307 0.050 1 735 160 161 TYR H H 8.083 0.005 1 736 160 161 TYR C C 172.990 0.050 1 737 160 161 TYR CA C 54.763 0.050 1 738 160 161 TYR CB C 41.192 0.050 1 739 160 161 TYR N N 124.182 0.050 1 740 161 162 VAL H H 8.472 0.005 1 741 161 162 VAL C C 172.538 0.050 1 742 161 162 VAL CA C 57.562 0.050 1 743 161 162 VAL CB C 34.656 0.050 1 744 161 162 VAL N N 126.722 0.050 1 745 162 163 ASN H H 8.684 0.005 1 746 162 163 ASN C C 174.846 0.050 1 747 162 163 ASN CA C 51.014 0.050 1 748 162 163 ASN CB C 39.514 0.050 1 749 162 163 ASN N N 123.193 0.050 1 750 163 164 ASP H H 9.195 0.005 1 751 163 164 ASP C C 177.925 0.050 1 752 163 164 ASP CA C 51.750 0.050 1 753 163 164 ASP CB C 43.426 0.050 1 754 163 164 ASP N N 129.664 0.050 1 755 164 165 ALA H H 8.726 0.005 1 756 164 165 ALA C C 176.987 0.050 1 757 164 165 ALA CA C 49.943 0.050 1 758 164 165 ALA CB C 17.337 0.050 1 759 164 165 ALA N N 128.228 0.050 1 760 165 166 PHE H H 7.709 0.005 1 761 165 166 PHE C C 177.007 0.050 1 762 165 166 PHE CA C 62.482 0.050 1 763 165 166 PHE CB C 37.403 0.050 1 764 165 166 PHE N N 125.889 0.050 1 765 166 167 GLY H H 8.925 0.005 1 766 166 167 GLY C C 174.559 0.050 1 767 166 167 GLY CA C 47.053 0.050 1 768 166 167 GLY N N 99.703 0.050 1 769 167 168 THR H H 7.143 0.005 1 770 167 168 THR C C 175.462 0.050 1 771 167 168 THR CA C 60.216 0.050 1 772 167 168 THR CB C 69.517 0.050 1 773 167 168 THR N N 112.309 0.050 1 774 168 169 ALA H H 7.699 0.005 1 775 168 169 ALA C C 175.576 0.050 1 776 168 169 ALA CA C 54.746 0.050 1 777 168 169 ALA CB C 17.544 0.050 1 778 168 169 ALA N N 123.161 0.050 1 779 169 170 HIS H H 10.658 0.005 1 780 169 170 HIS C C 174.872 0.050 1 781 169 170 HIS CA C 56.291 0.050 1 782 169 170 HIS CB C 28.575 0.050 1 783 169 170 HIS N N 115.806 0.050 1 784 170 171 ARG H H 8.174 0.005 1 785 170 171 ARG C C 175.136 0.050 1 786 170 171 ARG CA C 51.962 0.050 1 787 170 171 ARG CB C 27.330 0.050 1 788 170 171 ARG N N 121.998 0.050 1 789 171 172 ALA H H 8.574 0.005 1 790 171 172 ALA C C 176.118 0.050 1 791 171 172 ALA CA C 49.248 0.050 1 792 171 172 ALA CB C 14.831 0.050 1 793 171 172 ALA N N 129.435 0.050 1 794 172 173 HIS H H 6.572 0.005 1 795 172 173 HIS C C 177.272 0.050 1 796 172 173 HIS CA C 51.986 0.050 1 797 172 173 HIS CB C 33.790 0.050 1 798 172 173 HIS N N 120.107 0.050 1 799 173 174 SER H H 9.647 0.005 1 800 173 174 SER C C 175.497 0.050 1 801 173 174 SER CA C 64.149 0.050 1 802 173 174 SER CB C 61.850 0.050 1 803 173 174 SER N N 121.926 0.050 1 804 174 175 SER H H 10.405 0.005 1 805 174 175 SER C C 173.673 0.050 1 806 174 175 SER CA C 60.156 0.050 1 807 174 175 SER CB C 61.969 0.050 1 808 174 175 SER N N 116.668 0.050 1 809 175 176 MET H H 7.232 0.005 1 810 175 176 MET C C 176.624 0.050 1 811 175 176 MET CA C 54.163 0.050 1 812 175 176 MET CB C 31.812 0.050 1 813 175 176 MET N N 118.686 0.050 1 814 176 177 VAL H H 7.284 0.005 1 815 176 177 VAL C C 177.028 0.050 1 816 176 177 VAL CA C 59.257 0.050 1 817 176 177 VAL CB C 32.358 0.050 1 818 176 177 VAL N N 106.299 0.050 1 819 177 178 GLY H H 7.938 0.005 1 820 177 178 GLY C C 172.964 0.050 1 821 177 178 GLY CA C 44.480 0.050 1 822 177 178 GLY N N 110.559 0.050 1 823 178 179 VAL H H 7.483 0.005 1 824 178 179 VAL C C 175.194 0.050 1 825 178 179 VAL CA C 62.382 0.050 1 826 178 179 VAL CB C 29.075 0.050 1 827 178 179 VAL N N 121.664 0.050 1 828 179 180 ASN H H 8.235 0.005 1 829 179 180 ASN C C 174.100 0.050 1 830 179 180 ASN CA C 51.403 0.050 1 831 179 180 ASN CB C 37.012 0.050 1 832 179 180 ASN N N 127.921 0.050 1 833 180 181 LEU H H 6.441 0.005 1 834 180 181 LEU C C 175.779 0.050 1 835 180 181 LEU CA C 51.555 0.050 1 836 180 181 LEU CB C 43.121 0.050 1 837 180 181 LEU N N 122.145 0.050 1 838 181 182 PRO C C 177.286 0.050 1 839 181 182 PRO CA C 64.970 0.050 1 840 181 182 PRO CB C 31.477 0.050 1 841 182 183 GLN H H 7.360 0.005 1 842 182 183 GLN C C 173.285 0.050 1 843 182 183 GLN CA C 55.188 0.050 1 844 182 183 GLN CB C 30.776 0.050 1 845 182 183 GLN N N 113.661 0.050 1 846 183 184 LYS H H 8.274 0.005 1 847 183 184 LYS C C 174.358 0.050 1 848 183 184 LYS CA C 54.070 0.050 1 849 183 184 LYS CB C 31.757 0.050 1 850 183 184 LYS N N 123.353 0.050 1 851 184 185 ALA H H 9.152 0.005 1 852 184 185 ALA C C 177.206 0.050 1 853 184 185 ALA CA C 48.557 0.050 1 854 184 185 ALA CB C 22.035 0.050 1 855 184 185 ALA N N 125.119 0.050 1 856 185 186 GLY H H 9.294 0.005 1 857 185 186 GLY C C 173.847 0.050 1 858 185 186 GLY CA C 44.120 0.050 1 859 185 186 GLY N N 109.763 0.050 1 860 186 187 GLY H H 7.927 0.005 1 861 186 187 GLY C C 172.392 0.050 1 862 186 187 GLY CA C 44.047 0.050 1 863 186 187 GLY N N 110.329 0.050 1 864 187 188 PHE H H 7.057 0.005 1 865 187 188 PHE C C 178.447 0.050 1 866 187 188 PHE CA C 59.322 0.050 1 867 187 188 PHE CB C 36.992 0.050 1 868 187 188 PHE N N 113.399 0.050 1 869 188 189 LEU H H 10.279 0.005 1 870 188 189 LEU C C 178.586 0.050 1 871 188 189 LEU CA C 57.436 0.050 1 872 188 189 LEU CB C 39.380 0.050 1 873 188 189 LEU N N 129.054 0.050 1 874 189 190 MET H H 8.515 0.005 1 875 189 190 MET C C 177.651 0.050 1 876 189 190 MET CA C 58.438 0.050 1 877 189 190 MET CB C 32.401 0.050 1 878 189 190 MET N N 120.192 0.050 1 879 190 191 LYS H H 7.897 0.005 1 880 190 191 LYS C C 177.237 0.050 1 881 190 191 LYS CA C 59.350 0.050 1 882 190 191 LYS CB C 32.334 0.050 1 883 190 191 LYS N N 115.486 0.050 1 884 191 192 LYS H H 7.913 0.005 1 885 191 192 LYS C C 180.146 0.050 1 886 191 192 LYS CA C 59.314 0.050 1 887 191 192 LYS CB C 32.206 0.050 1 888 191 192 LYS N N 120.170 0.050 1 889 192 193 GLU H H 8.492 0.005 1 890 192 193 GLU C C 178.507 0.050 1 891 192 193 GLU CA C 59.165 0.050 1 892 192 193 GLU CB C 26.089 0.050 1 893 192 193 GLU N N 118.718 0.050 1 894 193 194 LEU H H 7.980 0.005 1 895 193 194 LEU C C 180.563 0.050 1 896 193 194 LEU CA C 57.559 0.050 1 897 193 194 LEU CB C 39.564 0.050 1 898 193 194 LEU N N 117.236 0.050 1 899 194 195 ASN H H 8.320 0.005 1 900 194 195 ASN C C 177.589 0.050 1 901 194 195 ASN CA C 55.564 0.050 1 902 194 195 ASN CB C 37.150 0.050 1 903 194 195 ASN N N 117.547 0.050 1 904 195 196 TYR H H 7.577 0.005 1 905 195 196 TYR C C 178.514 0.050 1 906 195 196 TYR CA C 62.235 0.050 1 907 195 196 TYR CB C 36.907 0.050 1 908 195 196 TYR N N 121.622 0.050 1 909 196 197 PHE H H 8.322 0.005 1 910 196 197 PHE C C 177.379 0.050 1 911 196 197 PHE CA C 63.010 0.050 1 912 196 197 PHE CB C 38.561 0.050 1 913 196 197 PHE N N 116.540 0.050 1 914 197 198 ALA H H 8.252 0.005 1 915 197 198 ALA C C 180.179 0.050 1 916 197 198 ALA CA C 54.725 0.050 1 917 197 198 ALA CB C 16.986 0.050 1 918 197 198 ALA N N 121.356 0.050 1 919 198 199 LYS H H 6.669 0.005 1 920 198 199 LYS C C 178.495 0.050 1 921 198 199 LYS CA C 57.416 0.050 1 922 198 199 LYS CB C 30.769 0.050 1 923 198 199 LYS N N 115.853 0.050 1 924 199 200 ALA H H 7.478 0.005 1 925 199 200 ALA C C 178.480 0.050 1 926 199 200 ALA CA C 53.367 0.050 1 927 199 200 ALA CB C 17.220 0.050 1 928 199 200 ALA N N 120.254 0.050 1 929 200 201 LEU H H 8.061 0.005 1 930 200 201 LEU C C 178.170 0.050 1 931 200 201 LEU CA C 53.755 0.050 1 932 200 201 LEU CB C 39.535 0.050 1 933 200 201 LEU N N 111.852 0.050 1 934 201 202 GLU H H 7.105 0.005 1 935 201 202 GLU C C 177.091 0.050 1 936 201 202 GLU CA C 58.537 0.050 1 937 201 202 GLU CB C 28.697 0.050 1 938 201 202 GLU N N 121.367 0.050 1 939 202 203 SER H H 7.690 0.005 1 940 202 203 SER C C 170.647 0.050 1 941 202 203 SER CA C 54.140 0.050 1 942 202 203 SER CB C 61.901 0.050 1 943 202 203 SER N N 111.658 0.050 1 944 203 204 PRO C C 177.337 0.050 1 945 203 204 PRO CA C 62.465 0.050 1 946 203 204 PRO CB C 31.430 0.050 1 947 204 205 GLU H H 7.017 0.005 1 948 204 205 GLU C C 174.322 0.050 1 949 204 205 GLU CA C 55.218 0.050 1 950 204 205 GLU CB C 29.511 0.050 1 951 204 205 GLU N N 121.520 0.050 1 952 205 206 ARG H H 7.809 0.005 1 953 205 206 ARG C C 174.664 0.050 1 954 205 206 ARG CA C 52.069 0.050 1 955 205 206 ARG CB C 30.324 0.050 1 956 205 206 ARG N N 116.127 0.050 1 957 206 207 PRO C C 175.241 0.050 1 958 206 207 PRO CA C 62.773 0.050 1 959 206 207 PRO CB C 33.890 0.050 1 960 207 208 PHE H H 9.623 0.005 1 961 207 208 PHE C C 173.670 0.050 1 962 207 208 PHE CA C 52.659 0.050 1 963 207 208 PHE CB C 38.071 0.050 1 964 207 208 PHE N N 129.025 0.050 1 965 208 209 LEU H H 9.506 0.005 1 966 208 209 LEU C C 173.857 0.050 1 967 208 209 LEU CA C 53.000 0.050 1 968 208 209 LEU CB C 43.105 0.050 1 969 208 209 LEU N N 133.947 0.050 1 970 209 210 ALA H H 8.003 0.005 1 971 209 210 ALA C C 174.994 0.050 1 972 209 210 ALA CA C 48.718 0.050 1 973 209 210 ALA CB C 20.097 0.050 1 974 209 210 ALA N N 126.681 0.050 1 975 210 211 ILE H H 9.254 0.005 1 976 210 211 ILE C C 172.699 0.050 1 977 210 211 ILE CA C 60.380 0.050 1 978 210 211 ILE CB C 36.870 0.050 1 979 210 211 ILE N N 123.248 0.050 1 980 211 212 LEU H H 8.598 0.005 1 981 211 212 LEU C C 175.296 0.050 1 982 211 212 LEU CA C 52.631 0.050 1 983 211 212 LEU CB C 42.890 0.050 1 984 211 212 LEU N N 128.836 0.050 1 985 212 213 GLY H H 8.568 0.005 1 986 212 213 GLY C C 174.549 0.050 1 987 212 213 GLY CA C 43.151 0.050 1 988 212 213 GLY N N 112.528 0.050 1 989 213 214 GLY H H 8.393 0.005 1 990 213 214 GLY C C 172.290 0.050 1 991 213 214 GLY CA C 45.145 0.050 1 992 213 214 GLY N N 107.767 0.050 1 993 214 215 ALA H H 6.995 0.005 1 994 214 215 ALA C C 177.582 0.050 1 995 214 215 ALA CA C 50.803 0.050 1 996 214 215 ALA CB C 20.335 0.050 1 997 214 215 ALA N N 118.237 0.050 1 998 215 216 LYS H H 8.095 0.005 1 999 215 216 LYS C C 179.411 0.050 1 1000 215 216 LYS CA C 60.442 0.050 1 1001 215 216 LYS CB C 33.604 0.050 1 1002 215 216 LYS N N 115.747 0.050 1 1003 216 217 VAL C C 176.876 0.050 1 1004 216 217 VAL CA C 65.423 0.050 1 1005 216 217 VAL CB C 30.963 0.050 1 1006 217 218 ALA H H 8.280 0.005 1 1007 217 218 ALA C C 180.780 0.050 1 1008 217 218 ALA CA C 54.134 0.050 1 1009 217 218 ALA CB C 17.546 0.050 1 1010 217 218 ALA N N 119.786 0.050 1 1011 218 219 ASP H H 7.510 0.005 1 1012 218 219 ASP C C 179.264 0.050 1 1013 218 219 ASP CA C 55.694 0.050 1 1014 218 219 ASP CB C 41.617 0.050 1 1015 218 219 ASP N N 112.792 0.050 1 1016 219 220 LYS H H 8.050 0.005 1 1017 219 220 LYS C C 179.117 0.050 1 1018 219 220 LYS CA C 59.875 0.050 1 1019 219 220 LYS CB C 31.178 0.050 1 1020 219 220 LYS N N 118.533 0.050 1 1021 220 221 ILE H H 8.826 0.005 1 1022 220 221 ILE C C 177.185 0.050 1 1023 220 221 ILE CA C 64.429 0.050 1 1024 220 221 ILE CB C 36.732 0.050 1 1025 220 221 ILE N N 121.731 0.050 1 1026 221 222 GLN H H 6.465 0.005 1 1027 221 222 GLN C C 176.259 0.050 1 1028 221 222 GLN CA C 55.950 0.050 1 1029 221 222 GLN CB C 26.985 0.050 1 1030 221 222 GLN N N 114.856 0.050 1 1031 222 223 LEU H H 7.417 0.005 1 1032 222 223 LEU C C 176.291 0.050 1 1033 222 223 LEU CA C 54.192 0.050 1 1034 222 223 LEU CB C 39.951 0.050 1 1035 222 223 LEU N N 118.202 0.050 1 1036 223 224 ILE H H 6.655 0.005 1 1037 223 224 ILE C C 177.016 0.050 1 1038 223 224 ILE CA C 65.075 0.050 1 1039 223 224 ILE CB C 36.941 0.050 1 1040 223 224 ILE N N 117.704 0.050 1 1041 224 225 ASN H H 9.048 0.005 1 1042 224 225 ASN C C 178.149 0.050 1 1043 224 225 ASN CA C 57.683 0.050 1 1044 224 225 ASN CB C 37.876 0.050 1 1045 224 225 ASN N N 118.419 0.050 1 1046 225 226 ASN H H 8.459 0.005 1 1047 225 226 ASN C C 178.987 0.050 1 1048 225 226 ASN CA C 54.461 0.050 1 1049 225 226 ASN CB C 36.813 0.050 1 1050 225 226 ASN N N 114.662 0.050 1 1051 226 227 MET H H 7.549 0.005 1 1052 226 227 MET C C 179.041 0.050 1 1053 226 227 MET CA C 59.763 0.050 1 1054 226 227 MET CB C 32.793 0.050 1 1055 226 227 MET N N 120.807 0.050 1 1056 227 228 LEU H H 7.794 0.005 1 1057 227 228 LEU C C 176.914 0.050 1 1058 227 228 LEU CA C 56.388 0.050 1 1059 227 228 LEU CB C 40.923 0.050 1 1060 227 228 LEU N N 117.272 0.050 1 1061 228 229 ASP H H 7.205 0.005 1 1062 228 229 ASP C C 175.557 0.050 1 1063 228 229 ASP CA C 55.162 0.050 1 1064 228 229 ASP CB C 40.864 0.050 1 1065 228 229 ASP N N 116.259 0.050 1 1066 229 230 LYS H H 7.654 0.005 1 1067 229 230 LYS C C 176.831 0.050 1 1068 229 230 LYS CA C 55.304 0.050 1 1069 229 230 LYS CB C 34.511 0.050 1 1070 229 230 LYS N N 116.654 0.050 1 1071 230 231 VAL H H 6.852 0.005 1 1072 230 231 VAL C C 173.355 0.050 1 1073 230 231 VAL CA C 58.945 0.050 1 1074 230 231 VAL CB C 31.381 0.050 1 1075 230 231 VAL N N 108.844 0.050 1 1076 231 232 ASN H H 9.284 0.005 1 1077 231 232 ASN C C 174.552 0.050 1 1078 231 232 ASN CA C 55.231 0.050 1 1079 231 232 ASN CB C 41.840 0.050 1 1080 231 232 ASN N N 113.906 0.050 1 1081 232 233 GLU H H 7.920 0.005 1 1082 232 233 GLU C C 174.349 0.050 1 1083 232 233 GLU CA C 55.626 0.050 1 1084 232 233 GLU CB C 35.962 0.050 1 1085 232 233 GLU N N 117.683 0.050 1 1086 233 234 MET H H 8.546 0.005 1 1087 233 234 MET C C 175.345 0.050 1 1088 233 234 MET CA C 54.187 0.050 1 1089 233 234 MET CB C 36.719 0.050 1 1090 233 234 MET N N 119.156 0.050 1 1091 234 235 ILE H H 8.557 0.005 1 1092 234 235 ILE C C 173.966 0.050 1 1093 234 235 ILE CA C 59.806 0.050 1 1094 234 235 ILE CB C 39.430 0.050 1 1095 234 235 ILE N N 126.174 0.050 1 1096 235 236 ILE H H 7.754 0.005 1 1097 235 236 ILE C C 174.559 0.050 1 1098 235 236 ILE CA C 58.977 0.050 1 1099 235 236 ILE CB C 36.592 0.050 1 1100 235 236 ILE N N 127.377 0.050 1 1101 236 237 GLY H H 8.703 0.005 1 1102 236 237 GLY C C 174.205 0.050 1 1103 236 237 GLY CA C 43.563 0.050 1 1104 236 237 GLY N N 110.248 0.050 1 1105 237 238 GLY H H 8.207 0.005 1 1106 237 238 GLY C C 175.300 0.050 1 1107 237 238 GLY CA C 47.017 0.050 1 1108 237 238 GLY N N 107.697 0.050 1 1109 238 239 GLY H H 8.073 0.005 1 1110 238 239 GLY C C 173.624 0.050 1 1111 238 239 GLY CA C 45.898 0.050 1 1112 238 239 GLY N N 113.113 0.050 1 1113 239 240 MET H H 7.025 0.005 1 1114 239 240 MET C C 176.205 0.050 1 1115 239 240 MET CA C 56.133 0.050 1 1116 239 240 MET CB C 31.767 0.050 1 1117 239 240 MET N N 116.869 0.050 1 1118 240 241 ALA H H 5.985 0.005 1 1119 240 241 ALA C C 178.723 0.050 1 1120 240 241 ALA CA C 54.085 0.050 1 1121 240 241 ALA CB C 18.883 0.050 1 1122 240 241 ALA N N 112.156 0.050 1 1123 241 242 PHE H H 6.504 0.005 1 1124 241 242 PHE C C 176.703 0.050 1 1125 241 242 PHE CA C 62.673 0.050 1 1126 241 242 PHE CB C 36.307 0.050 1 1127 241 242 PHE N N 113.190 0.050 1 1128 242 243 THR C C 174.842 0.050 1 1129 242 243 THR CA C 67.771 0.050 1 1130 242 243 THR CB C 68.872 0.050 1 1131 243 244 PHE H H 6.611 0.005 1 1132 243 244 PHE C C 177.331 0.050 1 1133 243 244 PHE CA C 61.321 0.050 1 1134 243 244 PHE CB C 39.483 0.050 1 1135 243 244 PHE N N 116.142 0.050 1 1136 244 245 LEU H H 8.138 0.005 1 1137 244 245 LEU C C 180.139 0.050 1 1138 244 245 LEU CA C 57.264 0.050 1 1139 244 245 LEU CB C 41.444 0.050 1 1140 244 245 LEU N N 118.558 0.050 1 1141 245 246 LYS H H 8.569 0.005 1 1142 245 246 LYS C C 178.040 0.050 1 1143 245 246 LYS CA C 58.808 0.050 1 1144 245 246 LYS CB C 31.472 0.050 1 1145 245 246 LYS N N 121.626 0.050 1 1146 246 247 VAL H H 6.876 0.005 1 1147 246 247 VAL C C 178.129 0.050 1 1148 246 247 VAL CA C 65.294 0.050 1 1149 246 247 VAL CB C 32.035 0.050 1 1150 246 247 VAL N N 116.615 0.050 1 1151 247 248 LEU H H 8.804 0.005 1 1152 247 248 LEU C C 178.728 0.050 1 1153 247 248 LEU CA C 56.675 0.050 1 1154 247 248 LEU CB C 41.327 0.050 1 1155 247 248 LEU N N 116.454 0.050 1 1156 248 249 ASN H H 7.510 0.005 1 1157 248 249 ASN C C 174.444 0.050 1 1158 248 249 ASN CA C 52.736 0.050 1 1159 248 249 ASN CB C 39.645 0.050 1 1160 248 249 ASN N N 113.026 0.050 1 1161 249 250 ASN H H 7.217 0.005 1 1162 249 250 ASN C C 174.711 0.050 1 1163 249 250 ASN CA C 53.770 0.050 1 1164 249 250 ASN CB C 36.652 0.050 1 1165 249 250 ASN N N 117.141 0.050 1 1166 250 251 MET H H 7.026 0.005 1 1167 250 251 MET C C 176.185 0.050 1 1168 250 251 MET CA C 56.066 0.050 1 1169 250 251 MET CB C 32.989 0.050 1 1170 250 251 MET N N 118.725 0.050 1 1171 251 252 GLU H H 8.468 0.005 1 1172 251 252 GLU C C 177.416 0.050 1 1173 251 252 GLU CA C 55.595 0.050 1 1174 251 252 GLU CB C 28.211 0.050 1 1175 251 252 GLU N N 126.386 0.050 1 1176 252 253 ILE H H 8.271 0.005 1 1177 252 253 ILE C C 176.611 0.050 1 1178 252 253 ILE CA C 60.452 0.050 1 1179 252 253 ILE CB C 38.010 0.050 1 1180 252 253 ILE N N 117.173 0.050 1 1181 253 254 GLY H H 8.634 0.005 1 1182 253 254 GLY C C 176.307 0.050 1 1183 253 254 GLY CA C 46.552 0.050 1 1184 253 254 GLY N N 119.132 0.050 1 1185 254 255 THR H H 9.185 0.005 1 1186 254 255 THR C C 174.311 0.050 1 1187 254 255 THR CA C 60.232 0.050 1 1188 254 255 THR CB C 66.514 0.050 1 1189 254 255 THR N N 119.691 0.050 1 1190 255 256 SER H H 7.477 0.005 1 1191 255 256 SER C C 171.595 0.050 1 1192 255 256 SER CA C 58.837 0.050 1 1193 255 256 SER CB C 62.622 0.050 1 1194 255 256 SER N N 114.954 0.050 1 1195 256 257 LEU H H 7.750 0.005 1 1196 256 257 LEU C C 177.138 0.050 1 1197 256 257 LEU CA C 56.374 0.050 1 1198 256 257 LEU CB C 41.183 0.050 1 1199 256 257 LEU N N 121.197 0.050 1 1200 257 258 PHE H H 8.210 0.005 1 1201 257 258 PHE C C 172.511 0.050 1 1202 257 258 PHE CA C 57.008 0.050 1 1203 257 258 PHE CB C 41.561 0.050 1 1204 257 258 PHE N N 121.930 0.050 1 1205 258 259 ASP H H 6.713 0.005 1 1206 258 259 ASP C C 173.514 0.050 1 1207 258 259 ASP CA C 52.089 0.050 1 1208 258 259 ASP CB C 44.087 0.050 1 1209 258 259 ASP N N 127.267 0.050 1 1210 259 260 GLU H H 8.506 0.005 1 1211 259 260 GLU C C 178.126 0.050 1 1212 259 260 GLU CA C 58.678 0.050 1 1213 259 260 GLU CB C 28.762 0.050 1 1214 259 260 GLU N N 126.112 0.050 1 1215 260 261 GLU H H 7.682 0.005 1 1216 260 261 GLU C C 180.468 0.050 1 1217 260 261 GLU CA C 58.013 0.050 1 1218 260 261 GLU CB C 27.779 0.050 1 1219 260 261 GLU N N 118.570 0.050 1 1220 261 262 GLY H H 8.729 0.005 1 1221 261 262 GLY C C 175.020 0.050 1 1222 261 262 GLY CA C 46.318 0.050 1 1223 261 262 GLY N N 112.108 0.050 1 1224 262 263 ALA H H 7.683 0.005 1 1225 262 263 ALA C C 179.386 0.050 1 1226 262 263 ALA CA C 54.287 0.050 1 1227 262 263 ALA CB C 17.328 0.050 1 1228 262 263 ALA N N 121.983 0.050 1 1229 263 264 LYS H H 7.081 0.005 1 1230 263 264 LYS C C 178.172 0.050 1 1231 263 264 LYS CA C 57.840 0.050 1 1232 263 264 LYS CB C 31.992 0.050 1 1233 263 264 LYS N N 113.713 0.050 1 1234 264 265 ILE H H 7.324 0.005 1 1235 264 265 ILE C C 176.435 0.050 1 1236 264 265 ILE CA C 60.527 0.050 1 1237 264 265 ILE CB C 38.423 0.050 1 1238 264 265 ILE N N 109.730 0.050 1 1239 265 266 VAL H H 6.667 0.005 1 1240 265 266 VAL C C 177.141 0.050 1 1241 265 266 VAL CA C 66.635 0.050 1 1242 265 266 VAL CB C 31.070 0.050 1 1243 265 266 VAL N N 121.834 0.050 1 1244 266 267 LYS H H 8.604 0.005 1 1245 266 267 LYS C C 179.513 0.050 1 1246 266 267 LYS CA C 60.399 0.050 1 1247 266 267 LYS CB C 29.949 0.050 1 1248 266 267 LYS N N 118.342 0.050 1 1249 267 268 ASP H H 7.793 0.005 1 1250 267 268 ASP C C 179.547 0.050 1 1251 267 268 ASP CA C 56.933 0.050 1 1252 267 268 ASP CB C 39.332 0.050 1 1253 267 268 ASP N N 121.837 0.050 1 1254 268 269 LEU H H 8.171 0.005 1 1255 268 269 LEU C C 178.908 0.050 1 1256 268 269 LEU CA C 57.358 0.050 1 1257 268 269 LEU CB C 40.918 0.050 1 1258 268 269 LEU N N 121.775 0.050 1 1259 269 270 MET H H 8.084 0.005 1 1260 269 270 MET C C 180.525 0.050 1 1261 269 270 MET CA C 55.922 0.050 1 1262 269 270 MET CB C 29.015 0.050 1 1263 269 270 MET N N 116.242 0.050 1 1264 270 271 SER H H 8.148 0.005 1 1265 270 271 SER C C 176.918 0.050 1 1266 270 271 SER CA C 60.941 0.050 1 1267 270 271 SER CB C 62.052 0.050 1 1268 270 271 SER N N 117.141 0.050 1 1269 271 272 LYS H H 7.970 0.005 1 1270 271 272 LYS C C 178.115 0.050 1 1271 271 272 LYS CA C 59.285 0.050 1 1272 271 272 LYS CB C 30.264 0.050 1 1273 271 272 LYS N N 124.647 0.050 1 1274 272 273 ALA H H 8.554 0.005 1 1275 272 273 ALA C C 179.156 0.050 1 1276 272 273 ALA CA C 55.537 0.050 1 1277 272 273 ALA CB C 16.635 0.050 1 1278 272 273 ALA N N 122.050 0.050 1 1279 273 274 GLU H H 7.841 0.005 1 1280 273 274 GLU C C 180.208 0.050 1 1281 273 274 GLU CA C 58.907 0.050 1 1282 273 274 GLU CB C 28.691 0.050 1 1283 273 274 GLU N N 117.987 0.050 1 1284 274 275 LYS H H 8.020 0.005 1 1285 274 275 LYS C C 178.340 0.050 1 1286 274 275 LYS CA C 58.675 0.050 1 1287 274 275 LYS CB C 31.184 0.050 1 1288 274 275 LYS N N 121.821 0.050 1 1289 275 276 ASN H H 8.093 0.005 1 1290 275 276 ASN C C 175.565 0.050 1 1291 275 276 ASN CA C 52.407 0.050 1 1292 275 276 ASN CB C 37.882 0.050 1 1293 275 276 ASN N N 116.127 0.050 1 1294 276 277 GLY H H 7.792 0.005 1 1295 276 277 GLY C C 174.682 0.050 1 1296 276 277 GLY CA C 46.298 0.050 1 1297 276 277 GLY N N 111.418 0.050 1 1298 277 278 VAL H H 8.581 0.005 1 1299 277 278 VAL C C 175.489 0.050 1 1300 277 278 VAL CA C 60.426 0.050 1 1301 277 278 VAL CB C 31.673 0.050 1 1302 277 278 VAL N N 122.869 0.050 1 1303 278 279 LYS H H 7.279 0.005 1 1304 278 279 LYS C C 175.878 0.050 1 1305 278 279 LYS CA C 55.789 0.050 1 1306 278 279 LYS CB C 32.014 0.050 1 1307 278 279 LYS N N 128.395 0.050 1 1308 279 280 ILE H H 8.807 0.005 1 1309 279 280 ILE C C 175.965 0.050 1 1310 279 280 ILE CA C 58.394 0.050 1 1311 279 280 ILE CB C 36.544 0.050 1 1312 279 280 ILE N N 131.057 0.050 1 1313 280 281 THR H H 8.949 0.005 1 1314 280 281 THR C C 172.484 0.050 1 1315 280 281 THR CA C 62.588 0.050 1 1316 280 281 THR CB C 68.907 0.050 1 1317 280 281 THR N N 126.728 0.050 1 1318 281 282 LEU H H 7.936 0.005 1 1319 281 282 LEU C C 173.886 0.050 1 1320 281 282 LEU CA C 51.743 0.050 1 1321 281 282 LEU CB C 42.605 0.050 1 1322 281 282 LEU N N 129.090 0.050 1 1323 283 284 VAL C C 174.898 0.050 1 1324 283 284 VAL CB C 35.523 0.050 1 1325 284 285 ASP H H 6.950 0.005 1 1326 284 285 ASP C C 173.856 0.050 1 1327 284 285 ASP CA C 52.209 0.050 1 1328 284 285 ASP CB C 39.849 0.050 1 1329 284 285 ASP N N 119.881 0.050 1 1330 285 286 PHE H H 8.477 0.005 1 1331 285 286 PHE C C 175.428 0.050 1 1332 285 286 PHE CA C 57.561 0.050 1 1333 285 286 PHE CB C 43.417 0.050 1 1334 285 286 PHE N N 112.656 0.050 1 1335 286 287 VAL H H 8.521 0.005 1 1336 286 287 VAL C C 176.284 0.050 1 1337 286 287 VAL CA C 62.253 0.050 1 1338 286 287 VAL CB C 32.373 0.050 1 1339 286 287 VAL N N 125.993 0.050 1 1340 287 288 THR H H 8.503 0.005 1 1341 287 288 THR C C 173.254 0.050 1 1342 287 288 THR CA C 58.916 0.050 1 1343 287 288 THR CB C 70.087 0.050 1 1344 287 288 THR N N 119.889 0.050 1 1345 288 289 ALA H H 8.880 0.005 1 1346 288 289 ALA C C 177.742 0.050 1 1347 288 289 ALA CA C 49.625 0.050 1 1348 288 289 ALA CB C 24.620 0.050 1 1349 288 289 ALA N N 120.923 0.050 1 1350 289 290 ASP H H 7.802 0.005 1 1351 289 290 ASP C C 174.052 0.050 1 1352 289 290 ASP CA C 53.260 0.050 1 1353 289 290 ASP CB C 37.979 0.050 1 1354 289 290 ASP N N 121.257 0.050 1 1355 290 291 LYS H H 7.145 0.005 1 1356 290 291 LYS C C 173.465 0.050 1 1357 290 291 LYS CA C 53.969 0.050 1 1358 290 291 LYS CB C 33.486 0.050 1 1359 290 291 LYS N N 114.637 0.050 1 1360 291 292 PHE H H 8.649 0.005 1 1361 291 292 PHE C C 172.891 0.050 1 1362 291 292 PHE CA C 56.489 0.050 1 1363 291 292 PHE CB C 35.783 0.050 1 1364 291 292 PHE N N 121.335 0.050 1 1365 292 293 ASP H H 7.177 0.005 1 1366 292 293 ASP C C 173.012 0.050 1 1367 292 293 ASP CA C 53.211 0.050 1 1368 292 293 ASP CB C 45.834 0.050 1 1369 292 293 ASP N N 126.249 0.050 1 1370 293 294 GLU H H 6.655 0.005 1 1371 293 294 GLU C C 176.108 0.050 1 1372 293 294 GLU CA C 58.494 0.050 1 1373 293 294 GLU CB C 28.358 0.050 1 1374 293 294 GLU N N 124.666 0.050 1 1375 294 295 ASN H H 8.289 0.005 1 1376 294 295 ASN C C 174.485 0.050 1 1377 294 295 ASN CA C 51.849 0.050 1 1378 294 295 ASN CB C 37.998 0.050 1 1379 294 295 ASN N N 115.485 0.050 1 1380 295 296 ALA H H 6.981 0.005 1 1381 295 296 ALA C C 178.051 0.050 1 1382 295 296 ALA CA C 52.197 0.050 1 1383 295 296 ALA CB C 20.337 0.050 1 1384 295 296 ALA N N 121.271 0.050 1 1385 296 297 LYS H H 8.131 0.005 1 1386 296 297 LYS C C 176.327 0.050 1 1387 296 297 LYS CA C 56.339 0.050 1 1388 296 297 LYS CB C 31.727 0.050 1 1389 296 297 LYS N N 122.022 0.050 1 1390 297 298 THR H H 7.756 0.005 1 1391 297 298 THR C C 176.202 0.050 1 1392 297 298 THR CA C 59.161 0.050 1 1393 297 298 THR CB C 72.314 0.050 1 1394 297 298 THR N N 109.427 0.050 1 1395 298 299 GLY H H 8.334 0.005 1 1396 298 299 GLY C C 174.384 0.050 1 1397 298 299 GLY CA C 44.486 0.050 1 1398 298 299 GLY N N 111.050 0.050 1 1399 299 300 GLN H H 8.372 0.005 1 1400 299 300 GLN C C 174.622 0.050 1 1401 299 300 GLN CA C 54.000 0.050 1 1402 299 300 GLN CB C 31.865 0.050 1 1403 299 300 GLN N N 119.271 0.050 1 1404 300 301 ALA H H 8.211 0.005 1 1405 300 301 ALA C C 175.585 0.050 1 1406 300 301 ALA CA C 50.993 0.050 1 1407 300 301 ALA CB C 23.996 0.050 1 1408 300 301 ALA N N 121.832 0.050 1 1409 301 302 THR H H 8.786 0.005 1 1410 301 302 THR C C 174.838 0.050 1 1411 301 302 THR CA C 59.315 0.050 1 1412 301 302 THR CB C 72.191 0.050 1 1413 301 302 THR N N 111.082 0.050 1 1414 302 303 VAL H H 7.389 0.005 1 1415 302 303 VAL C C 176.970 0.050 1 1416 302 303 VAL CA C 65.556 0.050 1 1417 302 303 VAL CB C 31.098 0.050 1 1418 302 303 VAL N N 119.670 0.050 1 1419 303 304 ALA H H 7.928 0.005 1 1420 303 304 ALA C C 179.959 0.050 1 1421 303 304 ALA CA C 53.837 0.050 1 1422 303 304 ALA CB C 17.870 0.050 1 1423 303 304 ALA N N 119.166 0.050 1 1424 304 305 SER H H 8.162 0.005 1 1425 304 305 SER C C 176.776 0.050 1 1426 304 305 SER CA C 60.035 0.050 1 1427 304 305 SER CB C 63.361 0.050 1 1428 304 305 SER N N 113.871 0.050 1 1429 305 306 GLY H H 7.843 0.005 1 1430 305 306 GLY C C 171.365 0.050 1 1431 305 306 GLY CA C 45.073 0.050 1 1432 305 306 GLY N N 110.833 0.050 1 1433 306 307 ILE H H 7.837 0.005 1 1434 306 307 ILE C C 173.010 0.050 1 1435 306 307 ILE CA C 57.868 0.050 1 1436 306 307 ILE CB C 38.390 0.050 1 1437 306 307 ILE N N 121.892 0.050 1 1438 307 308 PRO C C 175.048 0.050 1 1439 307 308 PRO CA C 62.097 0.050 1 1440 307 308 PRO CB C 31.064 0.050 1 1441 308 309 ALA H H 7.996 0.005 1 1442 308 309 ALA C C 179.566 0.050 1 1443 308 309 ALA CA C 53.224 0.050 1 1444 308 309 ALA CB C 17.229 0.050 1 1445 308 309 ALA N N 121.531 0.050 1 1446 309 310 GLY H H 8.583 0.005 1 1447 309 310 GLY C C 173.879 0.050 1 1448 309 310 GLY CA C 45.144 0.050 1 1449 309 310 GLY N N 109.297 0.050 1 1450 310 311 TRP H H 8.348 0.005 1 1451 310 311 TRP C C 174.060 0.050 1 1452 310 311 TRP CA C 56.263 0.050 1 1453 310 311 TRP CB C 29.095 0.050 1 1454 310 311 TRP N N 122.687 0.050 1 1455 311 312 MET H H 8.917 0.005 1 1456 311 312 MET C C 175.987 0.050 1 1457 311 312 MET CA C 52.898 0.050 1 1458 311 312 MET CB C 35.733 0.050 1 1459 311 312 MET N N 113.696 0.050 1 1460 312 313 GLY H H 8.397 0.005 1 1461 312 313 GLY C C 172.278 0.050 1 1462 312 313 GLY CA C 44.754 0.050 1 1463 312 313 GLY N N 108.383 0.050 1 1464 313 314 LEU H H 8.275 0.005 1 1465 313 314 LEU C C 174.675 0.050 1 1466 313 314 LEU CA C 54.637 0.050 1 1467 313 314 LEU CB C 42.425 0.050 1 1468 313 314 LEU N N 125.813 0.050 1 1469 314 315 ASP H H 8.353 0.005 1 1470 314 315 ASP C C 178.303 0.050 1 1471 314 315 ASP CA C 53.642 0.050 1 1472 314 315 ASP CB C 43.450 0.050 1 1473 314 315 ASP N N 115.350 0.050 1 1474 315 316 CYS H H 9.240 0.005 1 1475 315 316 CYS C C 172.230 0.050 1 1476 315 316 CYS CA C 55.885 0.050 1 1477 315 316 CYS CB C 28.336 0.050 1 1478 315 316 CYS N N 120.951 0.050 1 1479 316 317 GLY H H 6.581 0.005 1 1480 316 317 GLY C C 172.124 0.050 1 1481 316 317 GLY CA C 44.184 0.050 1 1482 316 317 GLY N N 106.544 0.050 1 1483 317 318 PRO C C 181.047 0.050 1 1484 317 318 PRO CA C 64.124 0.050 1 1485 317 318 PRO CB C 31.213 0.050 1 1486 318 319 GLU H H 9.897 0.005 1 1487 318 319 GLU C C 180.602 0.050 1 1488 318 319 GLU CA C 58.336 0.050 1 1489 318 319 GLU CB C 27.422 0.050 1 1490 318 319 GLU N N 122.743 0.050 1 1491 319 320 SER H H 8.748 0.005 1 1492 319 320 SER C C 174.695 0.050 1 1493 319 320 SER CA C 62.041 0.050 1 1494 319 320 SER CB C 61.155 0.050 1 1495 319 320 SER N N 120.408 0.050 1 1496 320 321 SER H H 7.899 0.005 1 1497 320 321 SER C C 176.505 0.050 1 1498 320 321 SER CA C 62.614 0.050 1 1499 320 321 SER CB C 61.564 0.050 1 1500 320 321 SER N N 117.550 0.050 1 1501 321 322 LYS H H 7.109 0.005 1 1502 321 322 LYS C C 178.736 0.050 1 1503 321 322 LYS CA C 59.252 0.050 1 1504 321 322 LYS CB C 31.248 0.050 1 1505 321 322 LYS N N 122.404 0.050 1 1506 322 323 LYS H H 7.231 0.005 1 1507 322 323 LYS C C 180.997 0.050 1 1508 322 323 LYS CA C 58.199 0.050 1 1509 322 323 LYS CB C 30.464 0.050 1 1510 322 323 LYS N N 119.994 0.050 1 1511 323 324 TYR H H 8.970 0.005 1 1512 323 324 TYR C C 177.775 0.050 1 1513 323 324 TYR CA C 56.297 0.050 1 1514 323 324 TYR CB C 35.312 0.050 1 1515 323 324 TYR N N 120.346 0.050 1 1516 324 325 ALA H H 8.011 0.005 1 1517 324 325 ALA C C 179.814 0.050 1 1518 324 325 ALA CA C 54.910 0.050 1 1519 324 325 ALA CB C 16.893 0.050 1 1520 324 325 ALA N N 120.790 0.050 1 1521 325 326 GLU H H 7.620 0.005 1 1522 325 326 GLU C C 178.841 0.050 1 1523 325 326 GLU CA C 59.053 0.050 1 1524 325 326 GLU CB C 28.575 0.050 1 1525 325 326 GLU N N 118.343 0.050 1 1526 326 327 ALA H H 6.848 0.005 1 1527 326 327 ALA C C 179.855 0.050 1 1528 326 327 ALA CA C 54.687 0.050 1 1529 326 327 ALA CB C 16.651 0.050 1 1530 326 327 ALA N N 120.735 0.050 1 1531 327 328 VAL H H 7.640 0.005 1 1532 327 328 VAL C C 177.538 0.050 1 1533 327 328 VAL CA C 66.073 0.050 1 1534 327 328 VAL CB C 29.885 0.050 1 1535 327 328 VAL N N 119.441 0.050 1 1536 328 329 THR H H 7.974 0.005 1 1537 328 329 THR C C 175.129 0.050 1 1538 328 329 THR CA C 65.480 0.050 1 1539 328 329 THR CB C 68.566 0.050 1 1540 328 329 THR N N 112.733 0.050 1 1541 329 330 ARG H H 6.813 0.005 1 1542 329 330 ARG C C 176.639 0.050 1 1543 329 330 ARG CA C 57.387 0.050 1 1544 329 330 ARG CB C 31.904 0.050 1 1545 329 330 ARG N N 117.764 0.050 1 1546 330 331 ALA H H 6.965 0.005 1 1547 330 331 ALA C C 178.225 0.050 1 1548 330 331 ALA CA C 53.095 0.050 1 1549 330 331 ALA CB C 19.571 0.050 1 1550 330 331 ALA N N 120.860 0.050 1 1551 331 332 LYS H H 8.986 0.005 1 1552 331 332 LYS C C 176.239 0.050 1 1553 331 332 LYS CA C 56.114 0.050 1 1554 331 332 LYS CB C 33.413 0.050 1 1555 331 332 LYS N N 117.658 0.050 1 1556 332 333 GLN H H 7.824 0.005 1 1557 332 333 GLN C C 173.833 0.050 1 1558 332 333 GLN CA C 55.409 0.050 1 1559 332 333 GLN CB C 29.453 0.050 1 1560 332 333 GLN N N 123.358 0.050 1 1561 333 334 ILE H H 9.429 0.005 1 1562 333 334 ILE C C 175.785 0.050 1 1563 333 334 ILE CA C 59.534 0.050 1 1564 333 334 ILE CB C 43.312 0.050 1 1565 333 334 ILE N N 127.231 0.050 1 1566 334 335 VAL H H 8.586 0.005 1 1567 334 335 VAL C C 173.088 0.050 1 1568 334 335 VAL CA C 60.512 0.050 1 1569 334 335 VAL CB C 33.916 0.050 1 1570 334 335 VAL N N 125.328 0.050 1 1571 335 336 TRP H H 9.371 0.005 1 1572 335 336 TRP C C 174.074 0.050 1 1573 335 336 TRP CA C 52.535 0.050 1 1574 335 336 TRP CB C 31.706 0.050 1 1575 335 336 TRP N N 130.225 0.050 1 1576 336 337 ASN H H 8.940 0.005 1 1577 336 337 ASN C C 171.232 0.050 1 1578 336 337 ASN CA C 54.844 0.050 1 1579 336 337 ASN CB C 42.641 0.050 1 1580 336 337 ASN N N 124.049 0.050 1 1581 337 338 GLY H H 9.355 0.005 1 1582 337 338 GLY CA C 41.821 0.050 1 1583 337 338 GLY N N 117.095 0.050 1 1584 338 339 PRO C C 176.599 0.050 1 1585 338 339 PRO CA C 62.719 0.050 1 1586 338 339 PRO CB C 32.029 0.050 1 1587 339 340 VAL H H 7.203 0.005 1 1588 339 340 VAL C C 173.336 0.050 1 1589 339 340 VAL CA C 62.101 0.050 1 1590 339 340 VAL CB C 29.812 0.050 1 1591 339 340 VAL N N 112.028 0.050 1 1592 340 341 GLY H H 7.826 0.005 1 1593 340 341 GLY C C 172.892 0.050 1 1594 340 341 GLY CA C 46.459 0.050 1 1595 340 341 GLY N N 112.421 0.050 1 1596 341 342 VAL H H 8.008 0.005 1 1597 341 342 VAL C C 174.201 0.050 1 1598 341 342 VAL CA C 59.920 0.050 1 1599 341 342 VAL CB C 27.946 0.050 1 1600 341 342 VAL N N 123.175 0.050 1 1601 342 343 PHE H H 7.925 0.005 1 1602 342 343 PHE C C 172.856 0.050 1 1603 342 343 PHE CA C 58.489 0.050 1 1604 342 343 PHE CB C 37.979 0.050 1 1605 342 343 PHE N N 123.279 0.050 1 1606 343 344 GLU H H 8.721 0.005 1 1607 343 344 GLU C C 176.070 0.050 1 1608 343 344 GLU CA C 58.747 0.050 1 1609 343 344 GLU CB C 26.822 0.050 1 1610 343 344 GLU N N 120.376 0.050 1 1611 344 345 TRP H H 7.759 0.005 1 1612 344 345 TRP C C 175.814 0.050 1 1613 344 345 TRP CA C 52.097 0.050 1 1614 344 345 TRP CB C 30.920 0.050 1 1615 344 345 TRP N N 120.798 0.050 1 1616 345 346 GLU H H 8.720 0.005 1 1617 345 346 GLU C C 178.678 0.050 1 1618 345 346 GLU CA C 59.385 0.050 1 1619 345 346 GLU CB C 28.850 0.050 1 1620 345 346 GLU N N 124.945 0.050 1 1621 346 347 ALA H H 8.525 0.005 1 1622 346 347 ALA C C 178.377 0.050 1 1623 346 347 ALA CA C 53.567 0.050 1 1624 346 347 ALA CB C 16.802 0.050 1 1625 346 347 ALA N N 118.458 0.050 1 1626 347 348 PHE H H 7.962 0.005 1 1627 347 348 PHE C C 174.213 0.050 1 1628 347 348 PHE CA C 54.811 0.050 1 1629 347 348 PHE CB C 38.034 0.050 1 1630 347 348 PHE N N 115.403 0.050 1 1631 348 349 ALA H H 7.032 0.005 1 1632 348 349 ALA C C 177.331 0.050 1 1633 348 349 ALA CA C 53.016 0.050 1 1634 348 349 ALA CB C 20.739 0.050 1 1635 348 349 ALA N N 119.542 0.050 1 1636 349 350 ARG H H 7.868 0.005 1 1637 349 350 ARG C C 179.682 0.050 1 1638 349 350 ARG CA C 59.925 0.050 1 1639 349 350 ARG CB C 28.676 0.050 1 1640 349 350 ARG N N 120.110 0.050 1 1641 350 351 GLY H H 11.102 0.005 1 1642 350 351 GLY C C 177.851 0.050 1 1643 350 351 GLY CA C 46.508 0.050 1 1644 350 351 GLY N N 111.962 0.050 1 1645 351 352 THR H H 8.771 0.005 1 1646 351 352 THR C C 175.026 0.050 1 1647 351 352 THR CA C 67.854 0.050 1 1648 351 352 THR CB C 70.197 0.050 1 1649 351 352 THR N N 121.620 0.050 1 1650 352 353 LYS H H 8.240 0.005 1 1651 352 353 LYS C C 177.300 0.050 1 1652 352 353 LYS CA C 58.392 0.050 1 1653 352 353 LYS CB C 30.566 0.050 1 1654 352 353 LYS N N 126.478 0.050 1 1655 353 354 ALA H H 8.362 0.005 1 1656 353 354 ALA C C 180.095 0.050 1 1657 353 354 ALA CA C 54.188 0.050 1 1658 353 354 ALA CB C 16.322 0.050 1 1659 353 354 ALA N N 119.992 0.050 1 1660 354 355 LEU H H 7.286 0.005 1 1661 354 355 LEU C C 178.448 0.050 1 1662 354 355 LEU CA C 56.591 0.050 1 1663 354 355 LEU CB C 40.619 0.050 1 1664 354 355 LEU N N 118.982 0.050 1 1665 355 356 MET H H 8.709 0.005 1 1666 355 356 MET C C 177.586 0.050 1 1667 355 356 MET CA C 57.026 0.050 1 1668 355 356 MET CB C 28.414 0.050 1 1669 355 356 MET N N 120.059 0.050 1 1670 356 357 ASP H H 8.416 0.005 1 1671 356 357 ASP C C 179.945 0.050 1 1672 356 357 ASP CA C 56.973 0.050 1 1673 356 357 ASP CB C 38.913 0.050 1 1674 356 357 ASP N N 119.604 0.050 1 1675 357 358 GLU H H 7.584 0.005 1 1676 357 358 GLU C C 179.513 0.050 1 1677 357 358 GLU CA C 57.964 0.050 1 1678 357 358 GLU CB C 27.407 0.050 1 1679 357 358 GLU N N 119.095 0.050 1 1680 358 359 VAL H H 8.732 0.005 1 1681 358 359 VAL C C 178.752 0.050 1 1682 358 359 VAL CA C 66.362 0.050 1 1683 358 359 VAL CB C 30.492 0.050 1 1684 358 359 VAL N N 123.776 0.050 1 1685 359 360 VAL H H 8.801 0.005 1 1686 359 360 VAL C C 179.081 0.050 1 1687 359 360 VAL CA C 66.927 0.050 1 1688 359 360 VAL CB C 30.867 0.050 1 1689 359 360 VAL N N 125.173 0.050 1 1690 360 361 LYS H H 7.655 0.005 1 1691 360 361 LYS C C 180.009 0.050 1 1692 360 361 LYS CA C 59.257 0.050 1 1693 360 361 LYS CB C 31.178 0.050 1 1694 360 361 LYS N N 121.645 0.050 1 1695 361 362 ALA H H 8.282 0.005 1 1696 361 362 ALA C C 180.589 0.050 1 1697 361 362 ALA CA C 54.504 0.050 1 1698 361 362 ALA CB C 16.143 0.050 1 1699 361 362 ALA N N 122.958 0.050 1 1700 362 363 THR H H 8.146 0.005 1 1701 362 363 THR C C 178.759 0.050 1 1702 362 363 THR CA C 65.211 0.050 1 1703 362 363 THR CB C 68.803 0.050 1 1704 362 363 THR N N 118.647 0.050 1 1705 363 364 SER H H 7.678 0.005 1 1706 363 364 SER C C 174.534 0.050 1 1707 363 364 SER CA C 61.056 0.050 1 1708 363 364 SER CB C 62.262 0.050 1 1709 363 364 SER N N 118.035 0.050 1 1710 364 365 ARG H H 7.300 0.005 1 1711 364 365 ARG C C 176.610 0.050 1 1712 364 365 ARG CA C 54.467 0.050 1 1713 364 365 ARG CB C 28.478 0.050 1 1714 364 365 ARG N N 116.582 0.050 1 1715 365 366 GLY H H 7.717 0.005 1 1716 365 366 GLY C C 174.220 0.050 1 1717 365 366 GLY CA C 44.723 0.050 1 1718 365 366 GLY N N 107.913 0.050 1 1719 366 367 CYS H H 7.874 0.005 1 1720 366 367 CYS C C 174.329 0.050 1 1721 366 367 CYS CA C 58.718 0.050 1 1722 366 367 CYS CB C 27.792 0.050 1 1723 366 367 CYS N N 122.586 0.050 1 1724 367 368 ILE H H 7.810 0.005 1 1725 367 368 ILE C C 175.706 0.050 1 1726 367 368 ILE CA C 60.033 0.050 1 1727 367 368 ILE CB C 36.590 0.050 1 1728 367 368 ILE N N 131.377 0.050 1 1729 368 369 THR H H 9.178 0.005 1 1730 368 369 THR C C 171.990 0.050 1 1731 368 369 THR CA C 59.298 0.050 1 1732 368 369 THR CB C 69.353 0.050 1 1733 368 369 THR N N 120.207 0.050 1 1734 369 370 ILE H H 8.666 0.005 1 1735 369 370 ILE C C 174.426 0.050 1 1736 369 370 ILE CA C 59.542 0.050 1 1737 369 370 ILE CB C 38.835 0.050 1 1738 369 370 ILE N N 125.748 0.050 1 1739 370 371 ILE H H 8.543 0.005 1 1740 370 371 ILE C C 174.838 0.050 1 1741 370 371 ILE CA C 59.053 0.050 1 1742 370 371 ILE CB C 38.915 0.050 1 1743 370 371 ILE N N 128.940 0.050 1 1744 371 372 GLY H H 8.616 0.005 1 1745 371 372 GLY C C 172.497 0.050 1 1746 371 372 GLY CA C 45.471 0.050 1 1747 371 372 GLY N N 111.921 0.050 1 1748 372 373 GLY H H 6.356 0.005 1 1749 372 373 GLY C C 175.238 0.050 1 1750 372 373 GLY CA C 43.206 0.050 1 1751 372 373 GLY N N 111.421 0.050 1 1752 373 374 GLY C C 176.845 0.050 1 1753 373 374 GLY CA C 45.908 0.050 1 1754 374 375 ASP H H 10.979 0.005 1 1755 374 375 ASP C C 178.890 0.050 1 1756 374 375 ASP CA C 57.627 0.050 1 1757 374 375 ASP CB C 41.016 0.050 1 1758 374 375 ASP N N 122.725 0.050 1 1759 375 376 THR C C 177.318 0.050 1 1760 375 376 THR CA C 67.910 0.050 1 1761 375 376 THR CB C 65.630 0.050 1 1762 376 377 ALA H H 8.758 0.005 1 1763 376 377 ALA C C 181.853 0.050 1 1764 376 377 ALA CA C 54.927 0.050 1 1765 376 377 ALA CB C 17.423 0.050 1 1766 376 377 ALA N N 121.113 0.050 1 1767 377 378 THR H H 7.059 0.005 1 1768 377 378 THR C C 176.099 0.050 1 1769 377 378 THR CA C 65.601 0.050 1 1770 377 378 THR CB C 66.856 0.050 1 1771 377 378 THR N N 117.413 0.050 1 1772 378 379 CYS H H 7.225 0.005 1 1773 378 379 CYS C C 175.327 0.050 1 1774 378 379 CYS CA C 61.485 0.050 1 1775 378 379 CYS CB C 26.017 0.050 1 1776 378 379 CYS N N 121.869 0.050 1 1777 379 380 CYS H H 6.415 0.005 1 1778 379 380 CYS C C 176.706 0.050 1 1779 379 380 CYS CA C 59.767 0.050 1 1780 379 380 CYS CB C 26.485 0.050 1 1781 379 380 CYS N N 114.173 0.050 1 1782 380 381 ALA H H 6.876 0.005 1 1783 380 381 ALA C C 179.987 0.050 1 1784 380 381 ALA CA C 54.032 0.050 1 1785 380 381 ALA CB C 17.248 0.050 1 1786 380 381 ALA N N 121.668 0.050 1 1787 381 382 LYS H H 8.183 0.005 1 1788 381 382 LYS C C 178.000 0.050 1 1789 381 382 LYS CA C 58.507 0.050 1 1790 381 382 LYS CB C 31.605 0.050 1 1791 381 382 LYS N N 119.798 0.050 1 1792 382 383 TRP H H 6.948 0.005 1 1793 382 383 TRP C C 174.101 0.050 1 1794 382 383 TRP CA C 57.665 0.050 1 1795 382 383 TRP CB C 26.306 0.050 1 1796 382 383 TRP N N 113.205 0.050 1 1797 383 384 ASN H H 7.531 0.005 1 1798 383 384 ASN C C 176.054 0.050 1 1799 383 384 ASN CA C 53.653 0.050 1 1800 383 384 ASN CB C 36.333 0.050 1 1801 383 384 ASN N N 118.131 0.050 1 1802 384 385 THR H H 9.148 0.005 1 1803 384 385 THR C C 176.092 0.050 1 1804 384 385 THR CA C 59.971 0.050 1 1805 384 385 THR CB C 67.985 0.050 1 1806 384 385 THR N N 107.190 0.050 1 1807 385 386 GLU H H 8.499 0.005 1 1808 385 386 GLU C C 176.154 0.050 1 1809 385 386 GLU CA C 59.706 0.050 1 1810 385 386 GLU CB C 28.636 0.050 1 1811 385 386 GLU N N 122.018 0.050 1 1812 386 387 ASP H H 8.224 0.005 1 1813 386 387 ASP C C 176.525 0.050 1 1814 386 387 ASP CA C 52.594 0.050 1 1815 386 387 ASP CB C 39.284 0.050 1 1816 386 387 ASP N N 112.588 0.050 1 1817 387 388 LYS H H 7.503 0.005 1 1818 387 388 LYS C C 174.319 0.050 1 1819 387 388 LYS CA C 55.236 0.050 1 1820 387 388 LYS CB C 34.056 0.050 1 1821 387 388 LYS N N 118.423 0.050 1 1822 388 389 VAL H H 6.711 0.005 1 1823 388 389 VAL C C 175.900 0.050 1 1824 388 389 VAL CA C 58.517 0.050 1 1825 388 389 VAL CB C 32.778 0.050 1 1826 388 389 VAL N N 109.296 0.050 1 1827 389 390 SER H H 9.019 0.005 1 1828 389 390 SER C C 175.154 0.050 1 1829 389 390 SER CA C 62.251 0.050 1 1830 389 390 SER CB C 60.537 0.050 1 1831 389 390 SER N N 122.078 0.050 1 1832 390 391 HIS H H 7.934 0.005 1 1833 390 391 HIS C C 172.235 0.050 1 1834 390 391 HIS CA C 56.320 0.050 1 1835 390 391 HIS CB C 34.058 0.050 1 1836 390 391 HIS N N 117.931 0.050 1 1837 391 392 VAL H H 7.408 0.005 1 1838 391 392 VAL C C 175.328 0.050 1 1839 391 392 VAL CA C 59.698 0.050 1 1840 391 392 VAL CB C 30.410 0.050 1 1841 391 392 VAL N N 127.263 0.050 1 1842 392 393 SER H H 9.485 0.005 1 1843 392 393 SER C C 176.358 0.050 1 1844 392 393 SER CA C 55.830 0.050 1 1845 392 393 SER CB C 63.852 0.050 1 1846 392 393 SER N N 119.638 0.050 1 1847 393 394 THR H H 10.233 0.005 1 1848 393 394 THR C C 174.715 0.050 1 1849 393 394 THR CA C 62.500 0.050 1 1850 393 394 THR CB C 70.615 0.050 1 1851 393 394 THR N N 118.456 0.050 1 1852 394 395 GLY H H 9.277 0.005 1 1853 394 395 GLY C C 170.961 0.050 1 1854 394 395 GLY CA C 44.825 0.050 1 1855 394 395 GLY N N 109.716 0.050 1 1856 395 396 GLY H H 9.022 0.005 1 1857 395 396 GLY C C 171.042 0.050 1 1858 395 396 GLY CA C 46.273 0.050 1 1859 395 396 GLY N N 116.118 0.050 1 1860 396 397 GLY C C 173.771 0.050 1 1861 396 397 GLY CA C 47.081 0.050 1 1862 397 398 ALA H H 6.695 0.005 1 1863 397 398 ALA C C 178.027 0.050 1 1864 397 398 ALA CA C 55.287 0.050 1 1865 397 398 ALA CB C 18.162 0.050 1 1866 397 398 ALA N N 118.181 0.050 1 1867 398 399 SER H H 6.092 0.005 1 1868 398 399 SER C C 176.018 0.050 1 1869 398 399 SER CA C 61.021 0.050 1 1870 398 399 SER CB C 61.682 0.050 1 1871 398 399 SER N N 109.836 0.050 1 1872 399 400 LEU H H 7.223 0.005 1 1873 399 400 LEU C C 178.973 0.050 1 1874 399 400 LEU CA C 56.660 0.050 1 1875 399 400 LEU CB C 40.476 0.050 1 1876 399 400 LEU N N 120.343 0.050 1 1877 400 401 GLU H H 7.941 0.005 1 1878 400 401 GLU C C 179.076 0.050 1 1879 400 401 GLU CA C 60.201 0.050 1 1880 400 401 GLU CB C 27.292 0.050 1 1881 400 401 GLU N N 118.926 0.050 1 1882 401 402 LEU H H 7.046 0.005 1 1883 401 402 LEU C C 181.232 0.050 1 1884 401 402 LEU CA C 56.985 0.050 1 1885 401 402 LEU CB C 40.694 0.050 1 1886 401 402 LEU N N 119.150 0.050 1 1887 402 403 LEU H H 7.842 0.005 1 1888 402 403 LEU C C 177.743 0.050 1 1889 402 403 LEU CA C 57.959 0.050 1 1890 402 403 LEU CB C 40.392 0.050 1 1891 402 403 LEU N N 123.957 0.050 1 1892 403 404 GLU H H 7.908 0.005 1 1893 403 404 GLU C C 176.728 0.050 1 1894 403 404 GLU CA C 58.806 0.050 1 1895 403 404 GLU CB C 31.114 0.050 1 1896 403 404 GLU N N 115.992 0.050 1 1897 404 405 GLY H H 7.628 0.005 1 1898 404 405 GLY C C 174.826 0.050 1 1899 404 405 GLY CA C 43.977 0.050 1 1900 404 405 GLY N N 104.085 0.050 1 1901 405 406 LYS H H 7.132 0.005 1 1902 405 406 LYS C C 176.412 0.050 1 1903 405 406 LYS CA C 55.689 0.050 1 1904 405 406 LYS CB C 32.613 0.050 1 1905 405 406 LYS N N 120.183 0.050 1 1906 406 407 VAL H H 7.992 0.005 1 1907 406 407 VAL C C 176.504 0.050 1 1908 406 407 VAL CA C 61.444 0.050 1 1909 406 407 VAL CB C 30.514 0.050 1 1910 406 407 VAL N N 121.385 0.050 1 1911 407 408 LEU H H 8.545 0.005 1 1912 407 408 LEU C C 176.406 0.050 1 1913 407 408 LEU CA C 52.203 0.050 1 1914 407 408 LEU CB C 38.658 0.050 1 1915 407 408 LEU N N 129.563 0.050 1 1916 408 409 PRO C C 178.623 0.050 1 1917 408 409 PRO CA C 64.815 0.050 1 1918 409 410 GLY H H 8.531 0.005 1 1919 409 410 GLY C C 172.999 0.050 1 1920 409 410 GLY CA C 45.544 0.050 1 1921 409 410 GLY N N 100.384 0.050 1 1922 410 411 VAL H H 6.932 0.005 1 1923 410 411 VAL C C 177.410 0.050 1 1924 410 411 VAL CA C 63.710 0.050 1 1925 410 411 VAL CB C 31.004 0.050 1 1926 410 411 VAL N N 117.980 0.050 1 1927 411 412 ASP H H 7.887 0.005 1 1928 411 412 ASP C C 176.675 0.050 1 1929 411 412 ASP CA C 56.443 0.050 1 1930 411 412 ASP CB C 41.727 0.050 1 1931 411 412 ASP N N 119.190 0.050 1 1932 412 413 ALA H H 7.023 0.005 1 1933 412 413 ALA C C 177.922 0.050 1 1934 412 413 ALA CA C 52.108 0.050 1 1935 412 413 ALA CB C 18.652 0.050 1 1936 412 413 ALA N N 113.502 0.050 1 1937 413 414 LEU H H 7.237 0.005 1 1938 413 414 LEU C C 177.836 0.050 1 1939 413 414 LEU CA C 54.563 0.050 1 1940 413 414 LEU CB C 40.487 0.050 1 1941 413 414 LEU N N 118.129 0.050 1 1942 414 415 SER H H 9.567 0.005 1 1943 414 415 SER C C 173.369 0.050 1 1944 414 415 SER CA C 60.383 0.050 1 1945 414 415 SER CB C 62.947 0.050 1 1946 414 415 SER N N 119.776 0.050 1 1947 415 416 ASN H H 8.580 0.005 1 1948 415 416 ASN C C 175.660 0.050 1 1949 415 416 ASN CA C 52.683 0.050 1 1950 415 416 ASN CB C 38.671 0.050 1 1951 415 416 ASN N N 122.208 0.050 1 1952 416 417 ILE H H 7.637 0.005 1 1953 416 417 ILE C C 180.658 0.050 1 1954 416 417 ILE CA C 62.283 0.050 1 1955 416 417 ILE CB C 38.702 0.050 1 1956 416 417 ILE N N 124.174 0.050 1 stop_ save_