data_16464 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural tightening and interdomain communication in the catalytic cycle of phosphoglycerate kinase ; _BMRB_accession_number 16464 _BMRB_flat_file_name bmr16464.str _Entry_type original _Submission_date 2009-08-21 _Accession_date 2009-08-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marston James P. Mr 2 Cliff Matthew J. Mr 3 Reed Michelle A.C. Ms 4 Blackburn 'G. Michael' . Mr 5 Hounslow Andrea M. Mrs 6 Craven 'C. Jeremy' . Mr 7 Waltho Jonathan P. Mr stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 363 "13C chemical shifts" 1049 "15N chemical shifts" 363 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-02-03 update BMRB 'complete entry citation' 2009-12-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Tightening and Interdomain Communication in the Catalytic Cycle of Phosphoglycerate Kinase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19944703 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marston James P. . 2 Cliff Matthew J. . 3 Reed Michelle A.C. . 4 Blackburn 'G. Michael' . . 5 Hounslow Andrea M. . 6 Craven 'C. Jeremy' . . 7 Waltho Jonathan P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 396 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 345 _Page_last 360 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name alf4-tsa-PGK _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PGK $PGK 'Adenosine Diphosphate' $ADP 'Magnesium(+2) cation' $MG '3-Phosphoglyceric acid' $3PG 'Tetrafluoroaluminate ion' $ALF stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PGK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PGK _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 394 _Mol_residue_sequence ; MNKKTIRDVDVRGKRVFCRV DFNVPMEQGAITDDTRIRAA LPTIRYLIEHGAKVILASHL GRPKGKVVEELRLDAVAKRL GELLERPVAKTNEAVGDEVK AAVDRLNEGDVLLLENVRFY PGEEKNDPELAKAFAELADL YVNDAFGAAHRAHASTEGIA HYLPAVAGFLMEKELEVLGK ALSNPDRPFTAIIGGAKVKD KIGVIDNLLEKVDNLIIGGG LAYTFVKALGHDVGKSLLEE DKIELAKSFMEKAKEKGVRF YMPVDVVVADRFANDANTKV VPIDAIPADYSALDIGPKTR ELYRDVIRESKLVVWNGPMG VFEMDAFAHGTKAIAEALAE ALDTYSVIGGGDSAAAVEKF GLADKMDHISTGGGASLEFM EGKQLPGVVALEDK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LYS 4 LYS 5 THR 6 ILE 7 ARG 8 ASP 9 VAL 10 ASP 11 VAL 12 ARG 13 GLY 14 LYS 15 ARG 16 VAL 17 PHE 18 CYS 19 ARG 20 VAL 21 ASP 22 PHE 23 ASN 24 VAL 25 PRO 26 MET 27 GLU 28 GLN 29 GLY 30 ALA 31 ILE 32 THR 33 ASP 34 ASP 35 THR 36 ARG 37 ILE 38 ARG 39 ALA 40 ALA 41 LEU 42 PRO 43 THR 44 ILE 45 ARG 46 TYR 47 LEU 48 ILE 49 GLU 50 HIS 51 GLY 52 ALA 53 LYS 54 VAL 55 ILE 56 LEU 57 ALA 58 SER 59 HIS 60 LEU 61 GLY 62 ARG 63 PRO 64 LYS 65 GLY 66 LYS 67 VAL 68 VAL 69 GLU 70 GLU 71 LEU 72 ARG 73 LEU 74 ASP 75 ALA 76 VAL 77 ALA 78 LYS 79 ARG 80 LEU 81 GLY 82 GLU 83 LEU 84 LEU 85 GLU 86 ARG 87 PRO 88 VAL 89 ALA 90 LYS 91 THR 92 ASN 93 GLU 94 ALA 95 VAL 96 GLY 97 ASP 98 GLU 99 VAL 100 LYS 101 ALA 102 ALA 103 VAL 104 ASP 105 ARG 106 LEU 107 ASN 108 GLU 109 GLY 110 ASP 111 VAL 112 LEU 113 LEU 114 LEU 115 GLU 116 ASN 117 VAL 118 ARG 119 PHE 120 TYR 121 PRO 122 GLY 123 GLU 124 GLU 125 LYS 126 ASN 127 ASP 128 PRO 129 GLU 130 LEU 131 ALA 132 LYS 133 ALA 134 PHE 135 ALA 136 GLU 137 LEU 138 ALA 139 ASP 140 LEU 141 TYR 142 VAL 143 ASN 144 ASP 145 ALA 146 PHE 147 GLY 148 ALA 149 ALA 150 HIS 151 ARG 152 ALA 153 HIS 154 ALA 155 SER 156 THR 157 GLU 158 GLY 159 ILE 160 ALA 161 HIS 162 TYR 163 LEU 164 PRO 165 ALA 166 VAL 167 ALA 168 GLY 169 PHE 170 LEU 171 MET 172 GLU 173 LYS 174 GLU 175 LEU 176 GLU 177 VAL 178 LEU 179 GLY 180 LYS 181 ALA 182 LEU 183 SER 184 ASN 185 PRO 186 ASP 187 ARG 188 PRO 189 PHE 190 THR 191 ALA 192 ILE 193 ILE 194 GLY 195 GLY 196 ALA 197 LYS 198 VAL 199 LYS 200 ASP 201 LYS 202 ILE 203 GLY 204 VAL 205 ILE 206 ASP 207 ASN 208 LEU 209 LEU 210 GLU 211 LYS 212 VAL 213 ASP 214 ASN 215 LEU 216 ILE 217 ILE 218 GLY 219 GLY 220 GLY 221 LEU 222 ALA 223 TYR 224 THR 225 PHE 226 VAL 227 LYS 228 ALA 229 LEU 230 GLY 231 HIS 232 ASP 233 VAL 234 GLY 235 LYS 236 SER 237 LEU 238 LEU 239 GLU 240 GLU 241 ASP 242 LYS 243 ILE 244 GLU 245 LEU 246 ALA 247 LYS 248 SER 249 PHE 250 MET 251 GLU 252 LYS 253 ALA 254 LYS 255 GLU 256 LYS 257 GLY 258 VAL 259 ARG 260 PHE 261 TYR 262 MET 263 PRO 264 VAL 265 ASP 266 VAL 267 VAL 268 VAL 269 ALA 270 ASP 271 ARG 272 PHE 273 ALA 274 ASN 275 ASP 276 ALA 277 ASN 278 THR 279 LYS 280 VAL 281 VAL 282 PRO 283 ILE 284 ASP 285 ALA 286 ILE 287 PRO 288 ALA 289 ASP 290 TYR 291 SER 292 ALA 293 LEU 294 ASP 295 ILE 296 GLY 297 PRO 298 LYS 299 THR 300 ARG 301 GLU 302 LEU 303 TYR 304 ARG 305 ASP 306 VAL 307 ILE 308 ARG 309 GLU 310 SER 311 LYS 312 LEU 313 VAL 314 VAL 315 TRP 316 ASN 317 GLY 318 PRO 319 MET 320 GLY 321 VAL 322 PHE 323 GLU 324 MET 325 ASP 326 ALA 327 PHE 328 ALA 329 HIS 330 GLY 331 THR 332 LYS 333 ALA 334 ILE 335 ALA 336 GLU 337 ALA 338 LEU 339 ALA 340 GLU 341 ALA 342 LEU 343 ASP 344 THR 345 TYR 346 SER 347 VAL 348 ILE 349 GLY 350 GLY 351 GLY 352 ASP 353 SER 354 ALA 355 ALA 356 ALA 357 VAL 358 GLU 359 LYS 360 PHE 361 GLY 362 LEU 363 ALA 364 ASP 365 LYS 366 MET 367 ASP 368 HIS 369 ILE 370 SER 371 THR 372 GLY 373 GLY 374 GLY 375 ALA 376 SER 377 LEU 378 GLU 379 PHE 380 MET 381 GLU 382 GLY 383 LYS 384 GLN 385 LEU 386 PRO 387 GLY 388 VAL 389 VAL 390 ALA 391 LEU 392 GLU 393 ASP 394 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 BMRB 16447 PGK 100.00 394 100.00 100.00 0.00e+00 BMRB 16451 PGK 100.00 394 100.00 100.00 0.00e+00 BMRB 17115 PGK 100.00 394 100.00 100.00 0.00e+00 PDB 1PHP "Structure Of The Adp Complex Of The 3-Phosphoglycerate Kinase From Bacillus Stearothermophilus At 1.65 Angstroms" 100.00 394 99.75 100.00 0.00e+00 DBJ BAD77342 "3-phosphoglycerate kinase [Geobacillus kaustophilus HTA426]" 100.00 394 97.97 99.24 0.00e+00 DBJ GAD14836 "phosphoglycerate kinase [Geobacillus kaustophilus GBlys]" 100.00 394 97.97 99.24 0.00e+00 DBJ GAJ57507 "phosphoglycerate kinase [Geobacillus thermoleovorans B23]" 100.00 394 97.97 99.24 0.00e+00 EMBL CAA41093 "3-phosphoglycerate kinase [Geobacillus stearothermophilus]" 100.00 394 99.75 100.00 0.00e+00 GB ACX79693 "Phosphoglycerate kinase [Geobacillus sp. Y412MC61]" 100.00 394 97.21 99.24 0.00e+00 GB ADI28008 "Phosphoglycerate kinase [Geobacillus sp. C56-T3]" 100.00 394 97.46 99.24 0.00e+00 GB ADU95522 "Phosphoglycerate kinase [Geobacillus sp. Y412MC52]" 100.00 394 97.21 99.24 0.00e+00 GB AEV20724 "Phosphoglycerate kinase [Geobacillus thermoleovorans CCB_US3_UF5]" 100.00 394 97.97 99.24 0.00e+00 GB AGE23620 "phosphoglycerate kinase [Geobacillus sp. GHH01]" 100.00 394 97.72 98.98 0.00e+00 REF WP_011232527 "MULTISPECIES: phosphoglycerate kinase [Geobacillus]" 100.00 394 97.97 99.24 0.00e+00 REF WP_013146368 "phosphoglycerate kinase [Geobacillus sp. C56-T3]" 100.00 394 97.46 99.24 0.00e+00 REF WP_013524587 "MULTISPECIES: phosphoglycerate kinase [Geobacillus]" 100.00 394 97.21 99.24 0.00e+00 REF WP_015375782 "phosphoglycerate kinase [Geobacillus sp. GHH01]" 100.00 394 97.72 98.98 0.00e+00 REF WP_023633686 "phosphoglycerate kinase [Geobacillus sp. MAS1]" 100.00 394 97.97 99.24 0.00e+00 SP P18912 "RecName: Full=Phosphoglycerate kinase" 100.00 394 99.75 100.00 0.00e+00 SP Q5KVE4 "RecName: Full=Phosphoglycerate kinase" 100.00 394 97.97 99.24 0.00e+00 stop_ save_ ############# # Ligands # ############# save_ADP _Saveframe_category ligand _Mol_type non-polymer _Name_common "ADP (ADENOSINE-5'-DIPHOSPHATE)" _BMRB_code . _PDB_code ADP _Molecular_mass 427.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 15:26:27 2011 ; 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_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common "MG (MAGNESIUM ION)" _BMRB_code . _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 15:27:45 2011 ; 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_ save_3PG _Saveframe_category ligand _Mol_type non-polymer _Name_common "3PG (3-PHOSPHOGLYCERIC ACID)" _BMRB_code . _PDB_code 3PG _Molecular_mass 186.057 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 15:28:54 2011 ; 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_ALF _Saveframe_category ligand _Mol_type non-polymer _Name_common "ALF (TETRAFLUOROALUMINATE ION)" _BMRB_code . _PDB_code ALF _Molecular_mass 102.975 _Mol_charge -1 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 15:29:47 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons AL AL AL . -1 . ? F1 F1 F . 0 . ? F2 F2 F . 0 . ? F3 F3 F . 0 . ? F4 F4 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 AL F1 ? ? SING AL F2 ? ? SING AL F3 ? ? SING AL F4 ? ? 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 'Geobacillus stearothermophilus' 1422 Bacteria . Geobacillus stearothermophilus 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 . pKK223-3 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 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' TEA 80 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' DTT 5 mM 'natural abundance' $ADP 3 mM 'natural abundance' $MG 3 mM 'natural abundance' $3PG 3 mM 'natural abundance' 'Sodium fluoride' 15 mM 'natural abundance' 'Aluminium nitrate' 1.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'all tasks' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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_ct-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY ct-HNCA' _Sample_label $sample_1 save_ save_ct-HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name ct-HN(CO)CA _Sample_label $sample_1 save_ save_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label $sample_1 save_ save_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label $sample_1 save_ save_3D_TROSY_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY_HNCO_7 _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' 0.1 . M pH 7.5 . pH pressure 1 . atm temperature 310 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144953 $citation_1 $citation_1 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.0 $citation_1 $citation_1 TSP N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 $citation_1 $citation_1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N-TROSY' '3D TROSY ct-HNCA' ct-HN(CO)CA HN(CA)CB HN(COCA)CB '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 2 2 ASN H H 7.880 0.005 1 2 2 2 ASN C C 173.460 0.05 1 3 2 2 ASN CA C 54.180 0.05 1 4 2 2 ASN CB C 41.020 0.05 1 5 2 2 ASN N N 123.870 0.05 1 6 3 3 LYS H H 7.550 0.005 1 7 3 3 LYS C C 175.140 0.05 1 8 3 3 LYS CA C 52.950 0.05 1 9 3 3 LYS CB C 30.920 0.05 1 10 3 3 LYS N N 115.950 0.05 1 11 5 5 THR H H 9.250 0.005 1 12 5 5 THR C C 177.470 0.05 1 13 5 5 THR CA C 59.940 0.05 1 14 5 5 THR CB C 74.540 0.05 1 15 5 5 THR N N 110.750 0.05 1 16 6 6 ILE H H 6.990 0.005 1 17 6 6 ILE C C 174.290 0.05 1 18 6 6 ILE CA C 63.110 0.05 1 19 6 6 ILE CB C 36.810 0.05 1 20 6 6 ILE N N 111.840 0.05 1 21 7 7 ARG H H 7.400 0.005 1 22 7 7 ARG C C 177.750 0.05 1 23 7 7 ARG CA C 57.270 0.05 1 24 7 7 ARG CB C 29.890 0.05 1 25 7 7 ARG N N 115.070 0.05 1 26 8 8 ASP H H 7.890 0.005 1 27 8 8 ASP C C 174.860 0.05 1 28 8 8 ASP CA C 55.090 0.05 1 29 8 8 ASP CB C 42.510 0.05 1 30 8 8 ASP N N 116.050 0.05 1 31 9 9 VAL H H 7.090 0.005 1 32 9 9 VAL C C 172.750 0.05 1 33 9 9 VAL CA C 58.370 0.05 1 34 9 9 VAL CB C 34.480 0.05 1 35 9 9 VAL N N 113.350 0.05 1 36 10 10 ASP H H 8.110 0.005 1 37 10 10 ASP C C 177.240 0.05 1 38 10 10 ASP CA C 52.860 0.05 1 39 10 10 ASP CB C 40.760 0.05 1 40 10 10 ASP N N 120.990 0.05 1 41 11 11 VAL H H 8.130 0.005 1 42 11 11 VAL C C 175.650 0.05 1 43 11 11 VAL CA C 60.570 0.05 1 44 11 11 VAL CB C 31.380 0.05 1 45 11 11 VAL N N 116.650 0.05 1 46 12 12 ARG H H 7.630 0.005 1 47 12 12 ARG C C 178.830 0.05 1 48 12 12 ARG CA C 58.370 0.05 1 49 12 12 ARG CB C 28.660 0.05 1 50 12 12 ARG N N 123.570 0.05 1 51 13 13 GLY H H 8.400 0.005 1 52 13 13 GLY C C 173.690 0.05 1 53 13 13 GLY CA C 45.700 0.05 1 54 13 13 GLY N N 115.460 0.05 1 55 14 14 LYS H H 7.850 0.005 1 56 14 14 LYS C C 175.980 0.05 1 57 14 14 LYS CA C 54.420 0.05 1 58 14 14 LYS CB C 32.540 0.05 1 59 14 14 LYS N N 119.920 0.05 1 60 15 15 ARG H H 9.460 0.005 1 61 15 15 ARG C C 176.270 0.05 1 62 15 15 ARG CA C 55.300 0.05 1 63 15 15 ARG CB C 29.310 0.05 1 64 15 15 ARG N N 121.740 0.05 1 65 16 16 VAL H H 9.290 0.005 1 66 16 16 VAL C C 173.130 0.05 1 67 16 16 VAL CA C 60.680 0.05 1 68 16 16 VAL CB C 32.990 0.05 1 69 16 16 VAL N N 128.770 0.05 1 70 17 17 PHE H H 8.730 0.005 1 71 17 17 PHE C C 173.080 0.05 1 72 17 17 PHE CA C 56.290 0.05 1 73 17 17 PHE CB C 38.690 0.05 1 74 17 17 PHE N N 130.670 0.05 1 75 18 18 CYS H H 9.700 0.005 1 76 18 18 CYS C C 173.050 0.05 1 77 18 18 CYS CA C 55.480 0.05 1 78 18 18 CYS CB C 26.910 0.05 1 79 18 18 CYS N N 132.540 0.05 1 80 19 19 ARG H H 8.940 0.005 1 81 19 19 ARG C C 173.780 0.05 1 82 19 19 ARG CA C 53.960 0.05 1 83 19 19 ARG CB C 32.600 0.05 1 84 19 19 ARG N N 130.080 0.05 1 85 20 20 VAL H H 8.640 0.005 1 86 20 20 VAL C C 175.750 0.05 1 87 20 20 VAL CA C 58.370 0.05 1 88 20 20 VAL CB C 35.450 0.05 1 89 20 20 VAL N N 119.240 0.05 1 90 22 22 PHE H H 8.360 0.005 1 91 22 22 PHE C C 174.250 0.05 1 92 22 22 PHE CA C 51.180 0.05 1 93 22 22 PHE CB C 35.520 0.05 1 94 22 22 PHE N N 122.130 0.05 1 95 23 23 ASN H H 9.300 0.005 1 96 23 23 ASN C C 176.450 0.05 1 97 23 23 ASN CA C 52.100 0.05 1 98 23 23 ASN CB C 35.780 0.05 1 99 23 23 ASN N N 119.820 0.05 1 100 24 24 VAL H H 7.740 0.005 1 101 24 24 VAL C C 172.760 0.05 1 102 24 24 VAL CA C 57.840 0.05 1 103 24 24 VAL CB C 29.370 0.05 1 104 24 24 VAL N N 121.420 0.05 1 105 26 26 MET H H 7.450 0.005 1 106 26 26 MET C C 176.500 0.05 1 107 26 26 MET CA C 52.560 0.05 1 108 26 26 MET CB C 32.670 0.05 1 109 26 26 MET N N 118.160 0.05 1 110 27 27 GLU H H 8.570 0.005 1 111 27 27 GLU C C 176.400 0.05 1 112 27 27 GLU CA C 57.470 0.05 1 113 27 27 GLU CB C 35.130 0.05 1 114 27 27 GLU N N 120.770 0.05 1 115 29 29 GLY H H 8.640 0.005 1 116 29 29 GLY C C 172.940 0.05 1 117 29 29 GLY CA C 45.160 0.05 1 118 29 29 GLY N N 104.740 0.05 1 119 30 30 ALA H H 7.770 0.005 1 120 30 30 ALA C C 176.400 0.05 1 121 30 30 ALA CA C 49.450 0.05 1 122 30 30 ALA CB C 20.250 0.05 1 123 30 30 ALA N N 123.640 0.05 1 124 31 31 ILE H H 8.520 0.005 1 125 31 31 ILE C C 177.990 0.05 1 126 31 31 ILE CA C 61.880 0.05 1 127 31 31 ILE CB C 38.170 0.05 1 128 31 31 ILE N N 121.810 0.05 1 129 32 32 THR H H 8.950 0.005 1 130 32 32 THR C C 175.510 0.05 1 131 32 32 THR CA C 62.320 0.05 1 132 32 32 THR CB C 67.870 0.05 1 133 32 32 THR N N 121.720 0.05 1 134 33 33 ASP H H 6.570 0.005 1 135 33 33 ASP C C 175.140 0.05 1 136 33 33 ASP CA C 55.920 0.05 1 137 33 33 ASP CB C 45.160 0.05 1 138 33 33 ASP N N 118.300 0.05 1 139 34 34 ASP H H 8.120 0.005 1 140 34 34 ASP C C 176.780 0.05 1 141 34 34 ASP CA C 52.090 0.05 1 142 34 34 ASP CB C 40.240 0.05 1 143 34 34 ASP N N 124.290 0.05 1 144 35 35 THR H H 8.070 0.005 1 145 35 35 THR C C 176.370 0.05 1 146 35 35 THR CA C 68.490 0.05 1 147 35 35 THR CB C 67.810 0.05 1 148 35 35 THR N N 121.580 0.05 1 149 36 36 ARG H H 9.270 0.005 1 150 36 36 ARG C C 179.020 0.05 1 151 36 36 ARG CA C 60.800 0.05 1 152 36 36 ARG CB C 28.720 0.05 1 153 36 36 ARG N N 117.400 0.05 1 154 37 37 ILE H H 6.830 0.005 1 155 37 37 ILE C C 177.330 0.05 1 156 37 37 ILE CA C 62.980 0.05 1 157 37 37 ILE CB C 37.330 0.05 1 158 37 37 ILE N N 115.100 0.05 1 159 38 38 ARG H H 7.690 0.005 1 160 38 38 ARG C C 180.140 0.05 1 161 38 38 ARG CA C 59.140 0.05 1 162 38 38 ARG CB C 29.370 0.05 1 163 38 38 ARG N N 116.360 0.05 1 164 39 39 ALA H H 8.210 0.005 1 165 39 39 ALA C C 178.180 0.05 1 166 39 39 ALA CA C 53.850 0.05 1 167 39 39 ALA CB C 19.410 0.05 1 168 39 39 ALA N N 119.340 0.05 1 169 40 40 ALA H H 7.180 0.005 1 170 40 40 ALA C C 177.330 0.05 1 171 40 40 ALA CA C 52.090 0.05 1 172 40 40 ALA CB C 19.530 0.05 1 173 40 40 ALA N N 117.740 0.05 1 174 41 41 LEU H H 7.500 0.005 1 175 41 41 LEU C C 175.750 0.05 1 176 41 41 LEU CA C 59.140 0.05 1 177 41 41 LEU CB C 38.040 0.05 1 178 41 41 LEU N N 117.820 0.05 1 179 43 43 THR H H 7.900 0.005 1 180 43 43 THR C C 175.420 0.05 1 181 43 43 THR CA C 65.640 0.05 1 182 43 43 THR CB C 68.260 0.05 1 183 43 43 THR N N 117.230 0.05 1 184 44 44 ILE H H 7.670 0.005 1 185 44 44 ILE C C 177.660 0.05 1 186 44 44 ILE CA C 66.200 0.05 1 187 44 44 ILE CB C 37.980 0.05 1 188 44 44 ILE N N 121.500 0.05 1 189 45 45 ARG H H 9.410 0.005 1 190 45 45 ARG C C 178.410 0.05 1 191 45 45 ARG CA C 60.020 0.05 1 192 45 45 ARG CB C 29.240 0.05 1 193 45 45 ARG N N 117.740 0.05 1 194 46 46 TYR H H 7.790 0.005 1 195 46 46 TYR C C 179.110 0.05 1 196 46 46 TYR CA C 61.680 0.05 1 197 46 46 TYR CB C 38.240 0.05 1 198 46 46 TYR N N 120.140 0.05 1 199 47 47 LEU H H 8.150 0.005 1 200 47 47 LEU C C 178.170 0.05 1 201 47 47 LEU CA C 58.160 0.05 1 202 47 47 LEU CB C 41.080 0.05 1 203 47 47 LEU N N 119.890 0.05 1 204 48 48 ILE H H 8.380 0.005 1 205 48 48 ILE C C 180.230 0.05 1 206 48 48 ILE CA C 65.880 0.05 1 207 48 48 ILE CB C 38.170 0.05 1 208 48 48 ILE N N 119.020 0.05 1 209 49 49 GLU H H 8.510 0.005 1 210 49 49 GLU C C 177.990 0.05 1 211 49 49 GLU CA C 58.280 0.05 1 212 49 49 GLU CB C 28.590 0.05 1 213 49 49 GLU N N 121.180 0.05 1 214 50 50 HIS H H 7.520 0.005 1 215 50 50 HIS C C 173.830 0.05 1 216 50 50 HIS CA C 56.960 0.05 1 217 50 50 HIS CB C 28.270 0.05 1 218 50 50 HIS N N 114.760 0.05 1 219 51 51 GLY H H 7.640 0.005 1 220 51 51 GLY C C 174.910 0.05 1 221 51 51 GLY CA C 46.910 0.05 1 222 51 51 GLY N N 105.990 0.05 1 223 52 52 ALA H H 8.030 0.005 1 224 52 52 ALA C C 177.240 0.05 1 225 52 52 ALA CA C 51.570 0.05 1 226 52 52 ALA CB C 19.660 0.05 1 227 52 52 ALA N N 122.430 0.05 1 228 53 53 LYS H H 8.590 0.005 1 229 53 53 LYS C C 175.000 0.05 1 230 53 53 LYS CA C 55.640 0.05 1 231 53 53 LYS CB C 31.570 0.05 1 232 53 53 LYS N N 121.780 0.05 1 233 54 54 VAL H H 8.410 0.005 1 234 54 54 VAL C C 172.520 0.05 1 235 54 54 VAL CA C 64.430 0.05 1 236 54 54 VAL CB C 31.570 0.05 1 237 54 54 VAL N N 125.250 0.05 1 238 55 55 ILE H H 8.820 0.005 1 239 55 55 ILE C C 174.250 0.05 1 240 55 55 ILE CA C 59.900 0.05 1 241 55 55 ILE CB C 38.560 0.05 1 242 55 55 ILE N N 130.230 0.05 1 243 56 56 LEU H H 9.430 0.005 1 244 56 56 LEU C C 174.760 0.05 1 245 56 56 LEU CA C 52.640 0.05 1 246 56 56 LEU CB C 44.510 0.05 1 247 56 56 LEU N N 125.830 0.05 1 248 57 57 ALA H H 7.570 0.005 1 249 57 57 ALA C C 175.940 0.05 1 250 57 57 ALA CA C 48.450 0.05 1 251 57 57 ALA CB C 23.160 0.05 1 252 57 57 ALA N N 121.440 0.05 1 253 58 58 SER H H 10.010 0.005 1 254 58 58 SER C C 173.320 0.05 1 255 58 58 SER CA C 56.270 0.05 1 256 58 58 SER CB C 64.120 0.05 1 257 58 58 SER N N 113.180 0.05 1 258 59 59 HIS H H 7.120 0.005 1 259 59 59 HIS C C 174.340 0.05 1 260 59 59 HIS CA C 54.870 0.05 1 261 59 59 HIS CB C 33.580 0.05 1 262 59 59 HIS N N 119.460 0.05 1 263 60 60 LEU H H 6.520 0.005 1 264 60 60 LEU C C 175.890 0.05 1 265 60 60 LEU CA C 55.870 0.05 1 266 60 60 LEU CB C 43.350 0.05 1 267 60 60 LEU N N 120.370 0.05 1 268 61 61 GLY H H 9.040 0.005 1 269 61 61 GLY C C 171.500 0.05 1 270 61 61 GLY CA C 45.060 0.05 1 271 61 61 GLY N N 113.950 0.05 1 272 62 62 ARG H H 8.290 0.005 1 273 62 62 ARG C C 173.930 0.05 1 274 62 62 ARG CA C 53.550 0.05 1 275 62 62 ARG CB C 31.250 0.05 1 276 62 62 ARG N N 116.920 0.05 1 277 64 64 LYS H H 8.990 0.005 1 278 64 64 LYS C C 177.610 0.05 1 279 64 64 LYS CA C 55.940 0.05 1 280 64 64 LYS CB C 28.210 0.05 1 281 64 64 LYS N N 115.540 0.05 1 282 65 65 GLY H H 7.650 0.005 1 283 65 65 GLY C C 172.200 0.05 1 284 65 65 GLY CA C 46.730 0.05 1 285 65 65 GLY N N 104.780 0.05 1 286 66 66 LYS H H 6.990 0.005 1 287 66 66 LYS C C 173.690 0.05 1 288 66 66 LYS CA C 53.090 0.05 1 289 66 66 LYS CB C 34.220 0.05 1 290 66 66 LYS N N 116.180 0.05 1 291 67 67 VAL H H 7.620 0.005 1 292 67 67 VAL C C 176.070 0.05 1 293 67 67 VAL CA C 63.210 0.05 1 294 67 67 VAL CB C 30.150 0.05 1 295 67 67 VAL N N 117.850 0.05 1 296 69 69 GLU H H 8.880 0.005 1 297 69 69 GLU C C 178.970 0.05 1 298 69 69 GLU CA C 59.820 0.05 1 299 69 69 GLU CB C 28.460 0.05 1 300 69 69 GLU N N 128.430 0.05 1 301 70 70 GLU H H 9.010 0.005 1 302 70 70 GLU C C 176.540 0.05 1 303 70 70 GLU CA C 58.290 0.05 1 304 70 70 GLU CB C 28.210 0.05 1 305 70 70 GLU N N 115.900 0.05 1 306 71 71 LEU H H 8.020 0.005 1 307 71 71 LEU C C 176.030 0.05 1 308 71 71 LEU CA C 53.100 0.05 1 309 71 71 LEU CB C 40.630 0.05 1 310 71 71 LEU N N 118.730 0.05 1 311 72 72 ARG H H 7.150 0.005 1 312 72 72 ARG C C 179.810 0.05 1 313 72 72 ARG CA C 57.700 0.05 1 314 72 72 ARG CB C 31.510 0.05 1 315 72 72 ARG N N 118.320 0.05 1 316 73 73 LEU H H 9.430 0.005 1 317 73 73 LEU C C 177.240 0.05 1 318 73 73 LEU CA C 55.390 0.05 1 319 73 73 LEU CB C 40.240 0.05 1 320 73 73 LEU N N 118.320 0.05 1 321 74 74 ASP H H 7.890 0.005 1 322 74 74 ASP C C 177.850 0.05 1 323 74 74 ASP CA C 58.940 0.05 1 324 74 74 ASP CB C 39.590 0.05 1 325 74 74 ASP N N 121.040 0.05 1 326 75 75 ALA H H 9.010 0.005 1 327 75 75 ALA C C 181.350 0.05 1 328 75 75 ALA CA C 54.960 0.05 1 329 75 75 ALA CB C 16.950 0.05 1 330 75 75 ALA N N 121.950 0.05 1 331 76 76 VAL H H 7.270 0.005 1 332 76 76 VAL C C 176.590 0.05 1 333 76 76 VAL CA C 65.950 0.05 1 334 76 76 VAL CB C 30.660 0.05 1 335 76 76 VAL N N 120.050 0.05 1 336 77 77 ALA H H 7.990 0.005 1 337 77 77 ALA C C 179.480 0.05 1 338 77 77 ALA CA C 55.300 0.05 1 339 77 77 ALA CB C 17.200 0.05 1 340 77 77 ALA N N 122.020 0.05 1 341 78 78 LYS H H 7.530 0.005 1 342 78 78 LYS C C 179.250 0.05 1 343 78 78 LYS CA C 58.690 0.05 1 344 78 78 LYS CB C 31.570 0.05 1 345 78 78 LYS N N 117.440 0.05 1 346 79 79 ARG H H 7.670 0.005 1 347 79 79 ARG C C 177.900 0.05 1 348 79 79 ARG CA C 56.060 0.05 1 349 79 79 ARG CB C 27.950 0.05 1 350 79 79 ARG N N 119.850 0.05 1 351 80 80 LEU H H 8.730 0.005 1 352 80 80 LEU C C 178.270 0.05 1 353 80 80 LEU CA C 57.830 0.05 1 354 80 80 LEU CB C 40.180 0.05 1 355 80 80 LEU N N 119.760 0.05 1 356 81 81 GLY H H 8.040 0.005 1 357 81 81 GLY C C 177.100 0.05 1 358 81 81 GLY CA C 47.360 0.05 1 359 81 81 GLY N N 105.870 0.05 1 360 82 82 GLU H H 7.630 0.005 1 361 82 82 GLU C C 179.950 0.05 1 362 82 82 GLU CA C 58.510 0.05 1 363 82 82 GLU CB C 29.050 0.05 1 364 82 82 GLU N N 121.710 0.05 1 365 83 83 LEU H H 7.890 0.005 1 366 83 83 LEU C C 179.390 0.05 1 367 83 83 LEU CA C 56.630 0.05 1 368 83 83 LEU CB C 41.990 0.05 1 369 83 83 LEU N N 118.910 0.05 1 370 84 84 LEU H H 8.510 0.005 1 371 84 84 LEU C C 176.640 0.05 1 372 84 84 LEU CA C 54.760 0.05 1 373 84 84 LEU CB C 42.890 0.05 1 374 84 84 LEU N N 116.890 0.05 1 375 85 85 GLU H H 7.810 0.005 1 376 85 85 GLU C C 175.260 0.05 1 377 85 85 GLU CA C 56.810 0.05 1 378 85 85 GLU CB C 26.470 0.05 1 379 85 85 GLU N N 116.210 0.05 1 380 86 86 ARG H H 7.770 0.005 1 381 86 86 ARG C C 172.520 0.05 1 382 86 86 ARG CA C 52.970 0.05 1 383 86 86 ARG CB C 31.570 0.05 1 384 86 86 ARG N N 117.100 0.05 1 385 88 88 VAL H H 8.050 0.005 1 386 88 88 VAL C C 175.560 0.05 1 387 88 88 VAL CA C 60.890 0.05 1 388 88 88 VAL CB C 33.510 0.05 1 389 88 88 VAL N N 122.880 0.05 1 390 89 89 ALA H H 7.830 0.005 1 391 89 89 ALA C C 175.190 0.05 1 392 89 89 ALA CA C 51.190 0.05 1 393 89 89 ALA CB C 19.210 0.05 1 394 89 89 ALA N N 130.540 0.05 1 395 90 90 LYS H H 8.140 0.005 1 396 90 90 LYS C C 176.770 0.05 1 397 90 90 LYS CA C 54.650 0.05 1 398 90 90 LYS CB C 33.900 0.05 1 399 90 90 LYS N N 122.240 0.05 1 400 91 91 THR H H 8.170 0.005 1 401 91 91 THR C C 173.870 0.05 1 402 91 91 THR CA C 59.810 0.05 1 403 91 91 THR CB C 69.950 0.05 1 404 91 91 THR N N 118.350 0.05 1 405 92 92 ASN H H 8.760 0.005 1 406 92 92 ASN C C 174.480 0.05 1 407 92 92 ASN CA C 53.080 0.05 1 408 92 92 ASN CB C 38.560 0.05 1 409 92 92 ASN N N 117.760 0.05 1 410 93 93 GLU H H 7.260 0.005 1 411 93 93 GLU C C 175.560 0.05 1 412 93 93 GLU CA C 54.420 0.05 1 413 93 93 GLU CB C 34.290 0.05 1 414 93 93 GLU N N 116.390 0.05 1 415 94 94 ALA H H 8.850 0.005 1 416 94 94 ALA C C 172.800 0.05 1 417 94 94 ALA CA C 51.880 0.05 1 418 94 94 ALA CB C 21.090 0.05 1 419 94 94 ALA N N 122.750 0.05 1 420 95 95 VAL H H 6.860 0.005 1 421 95 95 VAL C C 176.080 0.05 1 422 95 95 VAL CA C 58.810 0.05 1 423 95 95 VAL CB C 35.580 0.05 1 424 95 95 VAL N N 104.970 0.05 1 425 96 96 GLY H H 8.440 0.005 1 426 96 96 GLY C C 175.140 0.05 1 427 96 96 GLY CA C 43.850 0.05 1 428 96 96 GLY N N 108.950 0.05 1 429 97 97 ASP H H 8.490 0.005 1 430 97 97 ASP C C 179.270 0.05 1 431 97 97 ASP CA C 57.840 0.05 1 432 97 97 ASP CB C 40.110 0.05 1 433 97 97 ASP N N 118.740 0.05 1 434 98 98 GLU H H 8.620 0.005 1 435 98 98 GLU C C 179.770 0.05 1 436 98 98 GLU CA C 58.940 0.05 1 437 98 98 GLU CB C 28.210 0.05 1 438 98 98 GLU N N 121.320 0.05 1 439 99 99 VAL H H 7.450 0.005 1 440 99 99 VAL C C 177.430 0.05 1 441 99 99 VAL CA C 66.100 0.05 1 442 99 99 VAL CB C 30.600 0.05 1 443 99 99 VAL N N 122.700 0.05 1 444 100 100 LYS H H 8.210 0.005 1 445 100 100 LYS C C 178.690 0.05 1 446 100 100 LYS CA C 60.020 0.05 1 447 100 100 LYS CB C 31.250 0.05 1 448 100 100 LYS N N 120.070 0.05 1 449 101 101 ALA H H 7.610 0.005 1 450 101 101 ALA C C 179.810 0.05 1 451 101 101 ALA CA C 54.380 0.05 1 452 101 101 ALA CB C 17.140 0.05 1 453 101 101 ALA N N 119.550 0.05 1 454 102 102 ALA H H 7.470 0.005 1 455 102 102 ALA C C 181.020 0.05 1 456 102 102 ALA CA C 54.430 0.05 1 457 102 102 ALA CB C 17.400 0.05 1 458 102 102 ALA N N 121.220 0.05 1 459 103 103 VAL H H 8.490 0.005 1 460 103 103 VAL C C 179.200 0.05 1 461 103 103 VAL CA C 65.560 0.05 1 462 103 103 VAL CB C 30.660 0.05 1 463 103 103 VAL N N 120.440 0.05 1 464 104 104 ASP H H 8.070 0.005 1 465 104 104 ASP C C 177.200 0.05 1 466 104 104 ASP CA C 56.310 0.05 1 467 104 104 ASP CB C 40.240 0.05 1 468 104 104 ASP N N 120.500 0.05 1 469 105 105 ARG H H 7.050 0.005 1 470 105 105 ARG C C 177.150 0.05 1 471 105 105 ARG CA C 55.940 0.05 1 472 105 105 ARG CB C 30.470 0.05 1 473 105 105 ARG N N 115.660 0.05 1 474 106 106 LEU H H 7.380 0.005 1 475 106 106 LEU C C 176.720 0.05 1 476 106 106 LEU CA C 55.710 0.05 1 477 106 106 LEU CB C 41.730 0.05 1 478 106 106 LEU N N 120.500 0.05 1 479 107 107 ASN H H 9.250 0.005 1 480 107 107 ASN C C 175.230 0.05 1 481 107 107 ASN CA C 50.990 0.05 1 482 107 107 ASN CB C 40.050 0.05 1 483 107 107 ASN N N 121.830 0.05 1 484 108 108 GLU H H 8.610 0.005 1 485 108 108 GLU C C 177.850 0.05 1 486 108 108 GLU CA C 59.250 0.05 1 487 108 108 GLU CB C 28.920 0.05 1 488 108 108 GLU N N 119.230 0.05 1 489 109 109 GLY H H 8.600 0.005 1 490 109 109 GLY C C 172.380 0.05 1 491 109 109 GLY CA C 45.490 0.05 1 492 109 109 GLY N N 114.330 0.05 1 493 110 110 ASP H H 7.860 0.005 1 494 110 110 ASP C C 174.390 0.05 1 495 110 110 ASP CA C 53.840 0.05 1 496 110 110 ASP CB C 42.890 0.05 1 497 110 110 ASP N N 119.360 0.05 1 498 111 111 VAL H H 7.810 0.005 1 499 111 111 VAL C C 174.060 0.05 1 500 111 111 VAL CA C 60.390 0.05 1 501 111 111 VAL CB C 33.840 0.05 1 502 111 111 VAL N N 115.850 0.05 1 503 112 112 LEU H H 9.090 0.005 1 504 112 112 LEU C C 172.660 0.05 1 505 112 112 LEU CA C 52.750 0.05 1 506 112 112 LEU CB C 46.320 0.05 1 507 112 112 LEU N N 132.080 0.05 1 508 113 113 LEU H H 9.190 0.005 1 509 113 113 LEU C C 174.260 0.05 1 510 113 113 LEU CA C 52.880 0.05 1 511 113 113 LEU CB C 44.190 0.05 1 512 113 113 LEU N N 129.010 0.05 1 513 114 114 LEU H H 8.110 0.005 1 514 114 114 LEU C C 177.290 0.05 1 515 114 114 LEU CA C 53.430 0.05 1 516 114 114 LEU CB C 41.670 0.05 1 517 114 114 LEU N N 123.910 0.05 1 518 116 116 ASN H H 9.100 0.005 1 519 116 116 ASN C C 177.710 0.05 1 520 116 116 ASN CA C 53.200 0.05 1 521 116 116 ASN CB C 37.980 0.05 1 522 116 116 ASN N N 122.970 0.05 1 523 117 117 VAL H H 7.710 0.005 1 524 117 117 VAL C C 177.430 0.05 1 525 117 117 VAL CA C 64.640 0.05 1 526 117 117 VAL CB C 30.540 0.05 1 527 117 117 VAL N N 119.600 0.05 1 528 118 118 ARG H H 7.940 0.005 1 529 118 118 ARG C C 175.940 0.05 1 530 118 118 ARG CA C 57.400 0.05 1 531 118 118 ARG CB C 30.080 0.05 1 532 118 118 ARG N N 113.910 0.05 1 533 119 119 PHE H H 7.490 0.005 1 534 119 119 PHE C C 173.600 0.05 1 535 119 119 PHE CA C 53.970 0.05 1 536 119 119 PHE CB C 35.520 0.05 1 537 119 119 PHE N N 118.330 0.05 1 538 120 120 TYR H H 7.050 0.005 1 539 120 120 TYR C C 175.930 0.05 1 540 120 120 TYR CA C 54.850 0.05 1 541 120 120 TYR CB C 38.110 0.05 1 542 120 120 TYR N N 116.990 0.05 1 543 122 122 GLY H H 7.550 0.005 1 544 122 122 GLY C C 174.910 0.05 1 545 122 122 GLY CA C 44.070 0.05 1 546 122 122 GLY N N 104.350 0.05 1 547 123 123 GLU H H 7.540 0.005 1 548 123 123 GLU C C 180.470 0.05 1 549 123 123 GLU CA C 58.700 0.05 1 550 123 123 GLU CB C 27.620 0.05 1 551 123 123 GLU N N 125.350 0.05 1 552 124 124 GLU H H 8.650 0.005 1 553 124 124 GLU C C 176.020 0.05 1 554 124 124 GLU CA C 57.590 0.05 1 555 124 124 GLU CB C 28.590 0.05 1 556 124 124 GLU N N 119.470 0.05 1 557 125 125 LYS H H 6.420 0.005 1 558 125 125 LYS C C 176.400 0.05 1 559 125 125 LYS CA C 55.080 0.05 1 560 125 125 LYS CB C 32.280 0.05 1 561 125 125 LYS N N 113.900 0.05 1 562 126 126 ASN H H 7.910 0.005 1 563 126 126 ASN C C 174.820 0.05 1 564 126 126 ASN CA C 51.850 0.05 1 565 126 126 ASN CB C 36.040 0.05 1 566 126 126 ASN N N 120.750 0.05 1 567 127 127 ASP H H 8.200 0.005 1 568 127 127 ASP C C 175.930 0.05 1 569 127 127 ASP CB C 42.830 0.05 1 570 127 127 ASP N N 119.580 0.05 1 571 129 129 GLU H H 8.150 0.005 1 572 129 129 GLU C C 179.670 0.05 1 573 129 129 GLU CA C 58.470 0.05 1 574 129 129 GLU CB C 28.210 0.05 1 575 129 129 GLU N N 116.130 0.05 1 576 130 130 LEU H H 7.140 0.005 1 577 130 130 LEU C C 177.160 0.05 1 578 130 130 LEU CA C 55.940 0.05 1 579 130 130 LEU CB C 39.980 0.05 1 580 130 130 LEU N N 122.100 0.05 1 581 131 131 ALA H H 7.700 0.005 1 582 131 131 ALA C C 178.640 0.05 1 583 131 131 ALA CA C 55.370 0.05 1 584 131 131 ALA CB C 17.070 0.05 1 585 131 131 ALA N N 120.010 0.05 1 586 132 132 LYS H H 7.750 0.005 1 587 132 132 LYS C C 177.940 0.05 1 588 132 132 LYS CA C 58.690 0.05 1 589 132 132 LYS CB C 31.380 0.05 1 590 132 132 LYS N N 116.120 0.05 1 591 133 133 ALA H H 6.970 0.005 1 592 133 133 ALA C C 181.020 0.05 1 593 133 133 ALA CA C 54.320 0.05 1 594 133 133 ALA CB C 16.820 0.05 1 595 133 133 ALA N N 123.160 0.05 1 596 134 134 PHE H H 7.910 0.005 1 597 134 134 PHE C C 177.710 0.05 1 598 134 134 PHE CA C 57.190 0.05 1 599 134 134 PHE CB C 37.780 0.05 1 600 134 134 PHE N N 117.280 0.05 1 601 135 135 ALA H H 7.790 0.005 1 602 135 135 ALA C C 179.250 0.05 1 603 135 135 ALA CA C 53.980 0.05 1 604 135 135 ALA CB C 18.240 0.05 1 605 135 135 ALA N N 118.640 0.05 1 606 136 136 GLU H H 7.510 0.005 1 607 136 136 GLU C C 177.840 0.05 1 608 136 136 GLU CA C 57.510 0.05 1 609 136 136 GLU CB C 29.310 0.05 1 610 136 136 GLU N N 115.140 0.05 1 611 137 137 LEU H H 7.510 0.005 1 612 137 137 LEU C C 175.600 0.05 1 613 137 137 LEU CA C 54.970 0.05 1 614 137 137 LEU CB C 42.180 0.05 1 615 137 137 LEU N N 116.790 0.05 1 616 138 138 ALA H H 7.410 0.005 1 617 138 138 ALA C C 173.090 0.05 1 618 138 138 ALA CA C 50.240 0.05 1 619 138 138 ALA CB C 24.710 0.05 1 620 138 138 ALA N N 115.520 0.05 1 621 139 139 ASP H H 9.020 0.005 1 622 139 139 ASP C C 176.120 0.05 1 623 139 139 ASP CA C 54.750 0.05 1 624 139 139 ASP CB C 44.380 0.05 1 625 139 139 ASP N N 113.480 0.05 1 626 140 140 LEU H H 7.810 0.005 1 627 140 140 LEU C C 172.140 0.05 1 628 140 140 LEU CA C 54.510 0.05 1 629 140 140 LEU CB C 45.550 0.05 1 630 140 140 LEU N N 120.280 0.05 1 631 141 141 TYR H H 9.060 0.005 1 632 141 141 TYR C C 172.430 0.05 1 633 141 141 TYR CA C 55.200 0.05 1 634 141 141 TYR CB C 40.240 0.05 1 635 141 141 TYR N N 126.680 0.05 1 636 142 142 VAL H H 8.710 0.005 1 637 142 142 VAL C C 173.180 0.05 1 638 142 142 VAL CA C 58.060 0.05 1 639 142 142 VAL CB C 33.840 0.05 1 640 142 142 VAL N N 127.800 0.05 1 641 143 143 ASN H H 8.180 0.005 1 642 143 143 ASN C C 174.630 0.05 1 643 143 143 ASN CA C 50.890 0.05 1 644 143 143 ASN CB C 38.240 0.05 1 645 143 143 ASN N N 122.710 0.05 1 646 144 144 ASP H H 9.200 0.005 1 647 144 144 ASP C C 178.040 0.05 1 648 144 144 ASP CA C 51.980 0.05 1 649 144 144 ASP CB C 44.510 0.05 1 650 144 144 ASP N N 129.020 0.05 1 651 145 145 ALA H H 8.790 0.005 1 652 145 145 ALA C C 177.760 0.05 1 653 145 145 ALA CA C 49.340 0.05 1 654 145 145 ALA CB C 17.660 0.05 1 655 145 145 ALA N N 127.120 0.05 1 656 146 146 PHE H H 7.710 0.005 1 657 146 146 PHE C C 177.100 0.05 1 658 146 146 PHE CA C 62.430 0.05 1 659 146 146 PHE CB C 37.980 0.05 1 660 146 146 PHE N N 128.570 0.05 1 661 147 147 GLY H H 8.910 0.005 1 662 147 147 GLY C C 173.780 0.05 1 663 147 147 GLY CA C 46.790 0.05 1 664 147 147 GLY N N 100.400 0.05 1 665 148 148 ALA H H 6.840 0.005 1 666 148 148 ALA C C 178.040 0.05 1 667 148 148 ALA CA C 49.470 0.05 1 668 148 148 ALA CB C 18.630 0.05 1 669 148 148 ALA N N 116.750 0.05 1 670 149 149 ALA H H 7.840 0.005 1 671 149 149 ALA C C 176.500 0.05 1 672 149 149 ALA CA C 54.410 0.05 1 673 149 149 ALA CB C 17.920 0.05 1 674 149 149 ALA N N 123.680 0.05 1 675 150 150 HIS H H 10.460 0.005 1 676 150 150 HIS C C 174.480 0.05 1 677 150 150 HIS CA C 55.630 0.05 1 678 150 150 HIS CB C 28.980 0.05 1 679 150 150 HIS N N 115.330 0.05 1 680 151 151 ARG H H 7.500 0.005 1 681 151 151 ARG C C 174.720 0.05 1 682 151 151 ARG CA C 51.870 0.05 1 683 151 151 ARG CB C 27.360 0.05 1 684 151 151 ARG N N 121.160 0.05 1 685 152 152 ALA H H 8.690 0.005 1 686 152 152 ALA C C 172.810 0.05 1 687 152 152 ALA CA C 49.350 0.05 1 688 152 152 ALA CB C 15.780 0.05 1 689 152 152 ALA N N 130.150 0.05 1 690 153 153 HIS H H 6.930 0.005 1 691 153 153 HIS C C 176.640 0.05 1 692 153 153 HIS CA C 51.350 0.05 1 693 153 153 HIS CB C 35.060 0.05 1 694 153 153 HIS N N 121.000 0.05 1 695 154 154 ALA H H 9.380 0.005 1 696 154 154 ALA C C 179.760 0.05 1 697 154 154 ALA CA C 56.730 0.05 1 698 154 154 ALA CB C 16.750 0.05 1 699 154 154 ALA N N 128.410 0.05 1 700 155 155 SER H H 10.330 0.005 1 701 155 155 SER C C 175.100 0.05 1 702 155 155 SER CA C 60.480 0.05 1 703 155 155 SER CB C 62.310 0.05 1 704 155 155 SER N N 109.990 0.05 1 705 156 156 THR H H 7.120 0.005 1 706 156 156 THR C C 173.280 0.05 1 707 156 156 THR CA C 61.470 0.05 1 708 156 156 THR CB C 69.940 0.05 1 709 156 156 THR N N 110.680 0.05 1 710 157 157 GLU H H 7.810 0.005 1 711 157 157 GLU C C 177.380 0.05 1 712 157 157 GLU CA C 59.900 0.05 1 713 157 157 GLU CB C 31.510 0.05 1 714 157 157 GLU N N 123.140 0.05 1 715 158 158 GLY H H 7.800 0.005 1 716 158 158 GLY C C 177.620 0.05 1 717 158 158 GLY CA C 49.200 0.05 1 718 158 158 GLY N N 109.020 0.05 1 719 159 159 ILE H H 8.360 0.005 1 720 159 159 ILE C C 174.810 0.05 1 721 159 159 ILE CA C 63.430 0.05 1 722 159 159 ILE CB C 36.940 0.05 1 723 159 159 ILE N N 119.800 0.05 1 724 160 160 ALA H H 6.580 0.005 1 725 160 160 ALA C C 176.590 0.05 1 726 160 160 ALA CA C 52.670 0.05 1 727 160 160 ALA CB C 17.920 0.05 1 728 160 160 ALA N N 122.420 0.05 1 729 161 161 HIS H H 7.350 0.005 1 730 161 161 HIS C C 175.230 0.05 1 731 161 161 HIS CA C 55.600 0.05 1 732 161 161 HIS CB C 27.360 0.05 1 733 161 161 HIS N N 112.320 0.05 1 734 162 162 TYR H H 7.700 0.005 1 735 162 162 TYR C C 174.390 0.05 1 736 162 162 TYR CA C 58.470 0.05 1 737 162 162 TYR CB C 40.500 0.05 1 738 162 162 TYR N N 116.990 0.05 1 739 163 163 LEU H H 7.090 0.005 1 740 163 163 LEU C C 173.500 0.05 1 741 163 163 LEU CA C 51.560 0.05 1 742 163 163 LEU CB C 45.480 0.05 1 743 163 163 LEU N N 120.680 0.05 1 744 165 165 ALA H H 7.660 0.005 1 745 165 165 ALA C C 175.750 0.05 1 746 165 165 ALA CA C 50.900 0.05 1 747 165 165 ALA CB C 22.580 0.05 1 748 165 165 ALA N N 127.700 0.05 1 749 166 166 VAL H H 8.620 0.005 1 750 166 166 VAL C C 173.590 0.05 1 751 166 166 VAL CA C 57.390 0.05 1 752 166 166 VAL CB C 34.420 0.05 1 753 166 166 VAL N N 114.150 0.05 1 754 167 167 ALA H H 8.990 0.005 1 755 167 167 ALA C C 178.690 0.05 1 756 167 167 ALA CA C 50.580 0.05 1 757 167 167 ALA CB C 19.400 0.05 1 758 167 167 ALA N N 122.440 0.05 1 759 168 168 GLY H H 7.000 0.005 1 760 168 168 GLY C C 173.600 0.05 1 761 168 168 GLY CA C 43.390 0.05 1 762 168 168 GLY N N 103.980 0.05 1 763 169 169 PHE H H 7.150 0.005 1 764 169 169 PHE C C 179.670 0.05 1 765 169 169 PHE CA C 56.840 0.05 1 766 169 169 PHE CB C 37.200 0.05 1 767 169 169 PHE N N 113.590 0.05 1 768 170 170 LEU H H 10.360 0.005 1 769 170 170 LEU C C 178.180 0.05 1 770 170 170 LEU CA C 57.480 0.05 1 771 170 170 LEU CB C 40.050 0.05 1 772 170 170 LEU N N 129.260 0.05 1 773 171 171 MET H H 8.620 0.005 1 774 171 171 MET C C 177.060 0.05 1 775 171 171 MET CA C 58.170 0.05 1 776 171 171 MET CB C 33.250 0.05 1 777 171 171 MET N N 120.350 0.05 1 778 172 172 GLU H H 7.610 0.005 1 779 172 172 GLU C C 176.820 0.05 1 780 172 172 GLU CA C 59.360 0.05 1 781 172 172 GLU CB C 30.210 0.05 1 782 172 172 GLU N N 114.490 0.05 1 783 173 173 LYS H H 7.720 0.005 1 784 173 173 LYS C C 178.180 0.05 1 785 173 173 LYS CA C 58.930 0.05 1 786 173 173 LYS CB C 32.020 0.05 1 787 173 173 LYS N N 120.090 0.05 1 788 174 174 GLU H H 8.540 0.005 1 789 174 174 GLU C C 178.450 0.05 1 790 174 174 GLU CA C 58.690 0.05 1 791 174 174 GLU CB C 26.460 0.05 1 792 174 174 GLU N N 117.340 0.05 1 793 175 175 LEU H H 7.240 0.005 1 794 175 175 LEU C C 181.300 0.05 1 795 175 175 LEU CA C 57.140 0.05 1 796 175 175 LEU CB C 40.440 0.05 1 797 175 175 LEU N N 114.710 0.05 1 798 176 176 GLU H H 8.130 0.005 1 799 176 176 GLU C C 179.250 0.05 1 800 176 176 GLU CA C 59.020 0.05 1 801 176 176 GLU CB C 29.050 0.05 1 802 176 176 GLU N N 121.810 0.05 1 803 177 177 VAL H H 8.410 0.005 1 804 177 177 VAL C C 179.720 0.05 1 805 177 177 VAL CA C 65.990 0.05 1 806 177 177 VAL CB C 31.050 0.05 1 807 177 177 VAL N N 120.700 0.05 1 808 178 178 LEU H H 8.120 0.005 1 809 178 178 LEU C C 179.250 0.05 1 810 178 178 LEU CA C 57.510 0.05 1 811 178 178 LEU CB C 40.110 0.05 1 812 178 178 LEU N N 119.600 0.05 1 813 179 179 GLY H H 7.870 0.005 1 814 179 179 GLY C C 176.730 0.05 1 815 179 179 GLY CA C 46.790 0.05 1 816 179 179 GLY N N 106.480 0.05 1 817 180 180 LYS H H 7.650 0.005 1 818 180 180 LYS C C 178.680 0.05 1 819 180 180 LYS CA C 58.590 0.05 1 820 180 180 LYS CB C 31.380 0.05 1 821 180 180 LYS N N 121.690 0.05 1 822 181 181 ALA H H 7.310 0.005 1 823 181 181 ALA C C 178.220 0.05 1 824 181 181 ALA CA C 53.720 0.05 1 825 181 181 ALA CB C 17.140 0.05 1 826 181 181 ALA N N 120.050 0.05 1 827 182 182 LEU H H 7.750 0.005 1 828 182 182 LEU C C 177.890 0.05 1 829 182 182 LEU CA C 54.540 0.05 1 830 182 182 LEU CB C 41.210 0.05 1 831 182 182 LEU N N 111.630 0.05 1 832 183 183 SER H H 7.430 0.005 1 833 183 183 SER C C 174.860 0.05 1 834 183 183 SER CA C 60.800 0.05 1 835 183 183 SER CB C 62.180 0.05 1 836 183 183 SER N N 115.980 0.05 1 837 184 184 ASN H H 7.820 0.005 1 838 184 184 ASN C C 171.550 0.05 1 839 184 184 ASN CA C 51.220 0.05 1 840 184 184 ASN CB C 37.910 0.05 1 841 184 184 ASN N N 118.360 0.05 1 842 186 186 ASP H H 8.200 0.005 1 843 186 186 ASP C C 175.980 0.05 1 844 186 186 ASP CA C 54.290 0.05 1 845 186 186 ASP CB C 37.910 0.05 1 846 186 186 ASP N N 120.380 0.05 1 847 187 187 ARG H H 8.820 0.005 1 848 187 187 ARG C C 176.260 0.05 1 849 187 187 ARG CA C 55.750 0.05 1 850 187 187 ARG CB C 32.090 0.05 1 851 187 187 ARG N N 121.240 0.05 1 852 189 189 PHE H H 10.940 0.005 1 853 189 189 PHE C C 174.860 0.05 1 854 189 189 PHE CA C 53.420 0.05 1 855 189 189 PHE CB C 38.690 0.05 1 856 189 189 PHE N N 132.290 0.05 1 857 190 190 THR H H 9.740 0.005 1 858 190 190 THR C C 172.190 0.05 1 859 190 190 THR CA C 60.490 0.05 1 860 190 190 THR CB C 71.050 0.05 1 861 190 190 THR N N 130.670 0.05 1 862 191 191 ALA H H 7.900 0.005 1 863 191 191 ALA C C 174.720 0.05 1 864 191 191 ALA CA C 49.020 0.05 1 865 191 191 ALA CB C 20.700 0.05 1 866 191 191 ALA N N 127.060 0.05 1 867 192 192 ILE H H 9.060 0.005 1 868 192 192 ILE C C 174.820 0.05 1 869 192 192 ILE CA C 59.280 0.05 1 870 192 192 ILE CB C 37.590 0.05 1 871 192 192 ILE N N 122.110 0.05 1 872 193 193 ILE H H 8.760 0.005 1 873 193 193 ILE C C 175.560 0.05 1 874 193 193 ILE CA C 59.600 0.05 1 875 193 193 ILE CB C 39.660 0.05 1 876 193 193 ILE N N 126.130 0.05 1 877 194 194 GLY H H 9.070 0.005 1 878 194 194 GLY CA C 43.600 0.05 1 879 194 194 GLY N N 116.610 0.05 1 880 196 196 ALA H H 8.410 0.005 1 881 196 196 ALA N N 119.410 0.05 1 882 198 198 VAL H H 8.790 0.005 1 883 198 198 VAL CA C 59.880 0.05 1 884 198 198 VAL CB C 31.380 0.05 1 885 198 198 VAL N N 118.010 0.05 1 886 200 200 ASP H H 7.640 0.005 1 887 200 200 ASP C C 177.750 0.05 1 888 200 200 ASP CA C 55.730 0.05 1 889 200 200 ASP CB C 42.440 0.05 1 890 200 200 ASP N N 114.680 0.05 1 891 201 201 LYS H H 7.740 0.005 1 892 201 201 LYS C C 177.480 0.05 1 893 201 201 LYS CA C 57.920 0.05 1 894 201 201 LYS CB C 33.640 0.05 1 895 201 201 LYS N N 116.950 0.05 1 896 202 202 ILE H H 8.370 0.005 1 897 202 202 ILE C C 175.980 0.05 1 898 202 202 ILE CA C 65.410 0.05 1 899 202 202 ILE CB C 37.010 0.05 1 900 202 202 ILE N N 118.650 0.05 1 901 203 203 GLY H H 8.210 0.005 1 902 203 203 GLY C C 176.910 0.05 1 903 203 203 GLY CA C 46.010 0.05 1 904 203 203 GLY N N 104.820 0.05 1 905 204 204 VAL H H 7.500 0.005 1 906 204 204 VAL C C 176.300 0.05 1 907 204 204 VAL CA C 62.540 0.05 1 908 204 204 VAL CB C 30.860 0.05 1 909 204 204 VAL N N 117.420 0.05 1 910 205 205 ILE H H 7.160 0.005 1 911 205 205 ILE C C 175.280 0.05 1 912 205 205 ILE CA C 64.560 0.05 1 913 205 205 ILE CB C 36.750 0.05 1 914 205 205 ILE N N 117.710 0.05 1 915 206 206 ASP H H 5.910 0.005 1 916 206 206 ASP C C 178.220 0.05 1 917 206 206 ASP CA C 57.580 0.05 1 918 206 206 ASP CB C 41.280 0.05 1 919 206 206 ASP N N 116.740 0.05 1 920 207 207 ASN H H 8.150 0.005 1 921 207 207 ASN C C 179.910 0.05 1 922 207 207 ASN CA C 54.510 0.05 1 923 207 207 ASN CB C 38.230 0.05 1 924 207 207 ASN N N 113.230 0.05 1 925 208 208 LEU H H 7.890 0.005 1 926 208 208 LEU C C 179.870 0.05 1 927 208 208 LEU CA C 57.740 0.05 1 928 208 208 LEU CB C 39.920 0.05 1 929 208 208 LEU N N 120.590 0.05 1 930 209 209 LEU H H 7.850 0.005 1 931 209 209 LEU C C 175.700 0.05 1 932 209 209 LEU CA C 56.510 0.05 1 933 209 209 LEU CB C 41.020 0.05 1 934 209 209 LEU N N 117.940 0.05 1 935 210 210 GLU H H 7.110 0.005 1 936 210 210 GLU C C 176.920 0.05 1 937 210 210 GLU CA C 55.760 0.05 1 938 210 210 GLU CB C 29.180 0.05 1 939 210 210 GLU N N 112.880 0.05 1 940 211 211 LYS H H 7.660 0.005 1 941 211 211 LYS C C 176.490 0.05 1 942 211 211 LYS CA C 56.710 0.05 1 943 211 211 LYS CB C 35.840 0.05 1 944 211 211 LYS N N 115.800 0.05 1 945 212 212 VAL H H 7.220 0.005 1 946 212 212 VAL C C 174.210 0.05 1 947 212 212 VAL CA C 60.140 0.05 1 948 212 212 VAL CB C 31.760 0.05 1 949 212 212 VAL N N 110.290 0.05 1 950 213 213 ASP H H 8.940 0.005 1 951 213 213 ASP C C 175.940 0.05 1 952 213 213 ASP CA C 56.750 0.05 1 953 213 213 ASP CB C 43.480 0.05 1 954 213 213 ASP N N 116.290 0.05 1 955 214 214 ASN H H 7.600 0.005 1 956 214 214 ASN C C 172.890 0.05 1 957 214 214 ASN CA C 51.000 0.05 1 958 214 214 ASN CB C 42.570 0.05 1 959 214 214 ASN N N 113.760 0.05 1 960 215 215 LEU H H 8.940 0.005 1 961 215 215 LEU C C 173.180 0.05 1 962 215 215 LEU CA C 52.950 0.05 1 963 215 215 LEU CB C 44.450 0.05 1 964 215 215 LEU N N 125.360 0.05 1 965 216 216 ILE H H 8.800 0.005 1 966 216 216 ILE C C 173.740 0.05 1 967 216 216 ILE CA C 59.710 0.05 1 968 216 216 ILE CB C 38.040 0.05 1 969 216 216 ILE N N 125.650 0.05 1 970 217 217 ILE H H 8.100 0.005 1 971 217 217 ILE C C 176.920 0.05 1 972 217 217 ILE CA C 56.960 0.05 1 973 217 217 ILE CB C 38.430 0.05 1 974 217 217 ILE N N 122.760 0.05 1 975 218 218 GLY H H 8.780 0.005 1 976 218 218 GLY C C 172.800 0.05 1 977 218 218 GLY CA C 43.970 0.05 1 978 218 218 GLY N N 113.000 0.05 1 979 219 219 GLY H H 7.160 0.005 1 980 219 219 GLY C C 174.770 0.05 1 981 219 219 GLY CA C 47.790 0.05 1 982 219 219 GLY N N 109.220 0.05 1 983 221 221 LEU H H 6.660 0.005 1 984 221 221 LEU C C 176.160 0.05 1 985 221 221 LEU CA C 57.160 0.05 1 986 221 221 LEU CB C 41.020 0.05 1 987 221 221 LEU N N 121.290 0.05 1 988 222 222 ALA H H 6.260 0.005 1 989 222 222 ALA C C 179.110 0.05 1 990 222 222 ALA CA C 54.000 0.05 1 991 222 222 ALA CB C 17.530 0.05 1 992 222 222 ALA N N 112.150 0.05 1 993 223 223 TYR H H 6.480 0.005 1 994 223 223 TYR C C 176.310 0.05 1 995 223 223 TYR CA C 63.300 0.05 1 996 223 223 TYR CB C 34.740 0.05 1 997 223 223 TYR N N 114.330 0.05 1 998 224 224 THR H H 7.950 0.005 1 999 224 224 THR C C 175.150 0.05 1 1000 224 224 THR CA C 67.500 0.05 1 1001 224 224 THR CB C 68.910 0.05 1 1002 224 224 THR N N 121.130 0.05 1 1003 225 225 PHE H H 6.870 0.005 1 1004 225 225 PHE C C 176.920 0.05 1 1005 225 225 PHE CA C 61.790 0.05 1 1006 225 225 PHE CB C 38.110 0.05 1 1007 225 225 PHE N N 118.740 0.05 1 1008 226 226 VAL H H 8.000 0.005 1 1009 226 226 VAL C C 178.040 0.05 1 1010 226 226 VAL CA C 66.950 0.05 1 1011 226 226 VAL CB C 31.380 0.05 1 1012 226 226 VAL N N 119.940 0.05 1 1013 227 227 LYS H H 8.050 0.005 1 1014 227 227 LYS C C 181.210 0.05 1 1015 227 227 LYS CA C 56.710 0.05 1 1016 227 227 LYS CB C 31.630 0.05 1 1017 227 227 LYS N N 120.400 0.05 1 1018 228 228 ALA H H 7.580 0.005 1 1019 228 228 ALA C C 178.600 0.05 1 1020 228 228 ALA CA C 54.200 0.05 1 1021 228 228 ALA CB C 17.790 0.05 1 1022 228 228 ALA N N 123.500 0.05 1 1023 229 229 LEU H H 7.400 0.005 1 1024 229 229 LEU C C 177.010 0.05 1 1025 229 229 LEU CA C 55.060 0.05 1 1026 229 229 LEU CB C 41.600 0.05 1 1027 229 229 LEU N N 117.400 0.05 1 1028 230 230 GLY H H 7.800 0.005 1 1029 230 230 GLY C C 173.930 0.05 1 1030 230 230 GLY CA C 44.040 0.05 1 1031 230 230 GLY N N 105.420 0.05 1 1032 231 231 HIS H H 6.940 0.005 1 1033 231 231 HIS C C 173.980 0.05 1 1034 231 231 HIS CA C 53.880 0.05 1 1035 231 231 HIS CB C 30.600 0.05 1 1036 231 231 HIS N N 120.500 0.05 1 1037 232 232 ASP H H 8.510 0.005 1 1038 232 232 ASP C C 177.240 0.05 1 1039 232 232 ASP CA C 54.430 0.05 1 1040 232 232 ASP CB C 41.730 0.05 1 1041 232 232 ASP N N 120.860 0.05 1 1042 233 233 VAL H H 8.070 0.005 1 1043 233 233 VAL C C 177.100 0.05 1 1044 233 233 VAL CA C 58.900 0.05 1 1045 233 233 VAL CB C 30.990 0.05 1 1046 233 233 VAL N N 110.040 0.05 1 1047 234 234 GLY H H 8.600 0.005 1 1048 234 234 GLY C C 175.930 0.05 1 1049 234 234 GLY CA C 47.800 0.05 1 1050 234 234 GLY N N 117.270 0.05 1 1051 235 235 LYS H H 8.770 0.005 1 1052 235 235 LYS C C 176.590 0.05 1 1053 235 235 LYS CA C 54.650 0.05 1 1054 235 235 LYS CB C 30.210 0.05 1 1055 235 235 LYS N N 127.110 0.05 1 1056 236 236 SER H H 7.740 0.005 1 1057 236 236 SER C C 171.820 0.05 1 1058 236 236 SER CA C 58.590 0.05 1 1059 236 236 SER CB C 62.890 0.05 1 1060 236 236 SER N N 115.190 0.05 1 1061 237 237 LEU H H 8.190 0.005 1 1062 237 237 LEU C C 176.540 0.05 1 1063 237 237 LEU CA C 56.710 0.05 1 1064 237 237 LEU CB C 41.410 0.05 1 1065 237 237 LEU N N 123.360 0.05 1 1066 238 238 LEU H H 8.110 0.005 1 1067 238 238 LEU C C 174.860 0.05 1 1068 238 238 LEU CA C 54.420 0.05 1 1069 238 238 LEU CB C 44.250 0.05 1 1070 238 238 LEU N N 125.620 0.05 1 1071 239 239 GLU H H 7.020 0.005 1 1072 239 239 GLU C C 176.350 0.05 1 1073 239 239 GLU CA C 53.000 0.05 1 1074 239 239 GLU CB C 28.140 0.05 1 1075 239 239 GLU N N 124.180 0.05 1 1076 240 240 GLU H H 8.880 0.005 1 1077 240 240 GLU C C 177.900 0.05 1 1078 240 240 GLU CA C 59.480 0.05 1 1079 240 240 GLU CB C 28.920 0.05 1 1080 240 240 GLU N N 125.720 0.05 1 1081 241 241 ASP H H 8.720 0.005 1 1082 241 241 ASP C C 177.190 0.05 1 1083 241 241 ASP CA C 54.540 0.05 1 1084 241 241 ASP CB C 39.270 0.05 1 1085 241 241 ASP N N 116.590 0.05 1 1086 242 242 LYS H H 7.710 0.005 1 1087 242 242 LYS C C 175.610 0.05 1 1088 242 242 LYS CA C 52.890 0.05 1 1089 242 242 LYS CB C 31.830 0.05 1 1090 242 242 LYS N N 116.550 0.05 1 1091 243 243 ILE H H 7.130 0.005 1 1092 243 243 ILE C C 177.290 0.05 1 1093 243 243 ILE CA C 65.320 0.05 1 1094 243 243 ILE CB C 37.140 0.05 1 1095 243 243 ILE N N 122.280 0.05 1 1096 244 244 GLU H H 8.230 0.005 1 1097 244 244 GLU C C 179.620 0.05 1 1098 244 244 GLU CA C 58.950 0.05 1 1099 244 244 GLU CB C 27.690 0.05 1 1100 244 244 GLU N N 118.800 0.05 1 1101 245 245 LEU H H 7.420 0.005 1 1102 245 245 LEU C C 178.090 0.05 1 1103 245 245 LEU CA C 56.720 0.05 1 1104 245 245 LEU CB C 40.500 0.05 1 1105 245 245 LEU N N 123.030 0.05 1 1106 246 246 ALA H H 7.740 0.005 1 1107 246 246 ALA C C 179.620 0.05 1 1108 246 246 ALA CA C 54.950 0.05 1 1109 246 246 ALA CB C 15.850 0.05 1 1110 246 246 ALA N N 121.090 0.05 1 1111 247 247 LYS H H 7.820 0.005 1 1112 247 247 LYS C C 179.300 0.05 1 1113 247 247 LYS CA C 59.790 0.05 1 1114 247 247 LYS CB C 31.700 0.05 1 1115 247 247 LYS N N 117.290 0.05 1 1116 248 248 SER H H 7.790 0.005 1 1117 248 248 SER C C 177.760 0.05 1 1118 248 248 SER CA C 61.130 0.05 1 1119 248 248 SER CB C 61.990 0.05 1 1120 248 248 SER N N 116.620 0.05 1 1121 249 249 PHE H H 8.270 0.005 1 1122 249 249 PHE C C 178.170 0.05 1 1123 249 249 PHE CA C 56.360 0.05 1 1124 249 249 PHE CB C 36.490 0.05 1 1125 249 249 PHE N N 123.260 0.05 1 1126 250 250 MET H H 7.840 0.005 1 1127 250 250 MET C C 179.160 0.05 1 1128 250 250 MET CA C 60.000 0.05 1 1129 250 250 MET CB C 32.090 0.05 1 1130 250 250 MET N N 119.190 0.05 1 1131 251 251 GLU H H 7.660 0.005 1 1132 251 251 GLU C C 178.930 0.05 1 1133 251 251 GLU CA C 58.730 0.05 1 1134 251 251 GLU CB C 28.400 0.05 1 1135 251 251 GLU N N 119.880 0.05 1 1136 252 252 LYS H H 8.390 0.005 1 1137 252 252 LYS C C 178.360 0.05 1 1138 252 252 LYS CA C 59.140 0.05 1 1139 252 252 LYS CB C 31.310 0.05 1 1140 252 252 LYS N N 122.510 0.05 1 1141 253 253 ALA H H 8.280 0.005 1 1142 253 253 ALA C C 178.740 0.05 1 1143 253 253 ALA CA C 55.530 0.05 1 1144 253 253 ALA CB C 16.880 0.05 1 1145 253 253 ALA N N 120.390 0.05 1 1146 254 254 LYS H H 7.020 0.005 1 1147 254 254 LYS C C 180.140 0.05 1 1148 254 254 LYS CA C 58.810 0.05 1 1149 254 254 LYS CB C 31.380 0.05 1 1150 254 254 LYS N N 116.410 0.05 1 1151 255 255 GLU H H 7.860 0.005 1 1152 255 255 GLU C C 178.830 0.05 1 1153 255 255 GLU CA C 58.790 0.05 1 1154 255 255 GLU CB C 29.110 0.05 1 1155 255 255 GLU N N 121.030 0.05 1 1156 256 256 LYS H H 8.150 0.005 1 1157 256 256 LYS C C 177.010 0.05 1 1158 256 256 LYS CA C 55.050 0.05 1 1159 256 256 LYS CB C 32.020 0.05 1 1160 256 256 LYS N N 115.620 0.05 1 1161 257 257 GLY H H 7.730 0.005 1 1162 257 257 GLY C C 174.760 0.05 1 1163 257 257 GLY CA C 45.810 0.05 1 1164 257 257 GLY N N 108.670 0.05 1 1165 258 258 VAL H H 8.050 0.005 1 1166 258 258 VAL C C 176.260 0.05 1 1167 258 258 VAL CA C 61.580 0.05 1 1168 258 258 VAL CB C 33.220 0.05 1 1169 258 258 VAL N N 122.820 0.05 1 1170 259 259 ARG H H 7.640 0.005 1 1171 259 259 ARG C C 172.900 0.05 1 1172 259 259 ARG CA C 56.630 0.05 1 1173 259 259 ARG CB C 28.790 0.05 1 1174 259 259 ARG N N 127.930 0.05 1 1175 260 260 PHE H H 7.850 0.005 1 1176 260 260 PHE C C 174.340 0.05 1 1177 260 260 PHE CA C 56.060 0.05 1 1178 260 260 PHE CB C 41.410 0.05 1 1179 260 260 PHE N N 129.010 0.05 1 1180 261 261 TYR H H 8.890 0.005 1 1181 261 261 TYR C C 172.340 0.05 1 1182 261 261 TYR CA C 57.790 0.05 1 1183 261 261 TYR CB C 40.240 0.05 1 1184 261 261 TYR N N 127.610 0.05 1 1185 262 262 MET H H 7.890 0.005 1 1186 262 262 MET C C 172.800 0.05 1 1187 262 262 MET CA C 52.740 0.05 1 1188 262 262 MET CB C 33.770 0.05 1 1189 262 262 MET N N 119.770 0.05 1 1190 264 264 VAL H H 7.930 0.005 1 1191 264 264 VAL C C 176.500 0.05 1 1192 264 264 VAL CA C 60.250 0.05 1 1193 264 264 VAL CB C 31.830 0.05 1 1194 264 264 VAL N N 112.870 0.05 1 1195 265 265 ASP H H 7.950 0.005 1 1196 265 265 ASP C C 174.910 0.05 1 1197 265 265 ASP CA C 52.230 0.05 1 1198 265 265 ASP CB C 40.550 0.05 1 1199 265 265 ASP N N 121.670 0.05 1 1200 266 266 VAL H H 9.090 0.005 1 1201 266 266 VAL C C 173.360 0.05 1 1202 266 266 VAL CA C 59.380 0.05 1 1203 266 266 VAL CB C 36.290 0.05 1 1204 266 266 VAL N N 114.260 0.05 1 1205 267 267 VAL H H 8.350 0.005 1 1206 267 267 VAL C C 176.310 0.05 1 1207 267 267 VAL CA C 61.440 0.05 1 1208 267 267 VAL CB C 31.760 0.05 1 1209 267 267 VAL N N 122.000 0.05 1 1210 268 268 VAL H H 9.230 0.005 1 1211 268 268 VAL C C 174.210 0.05 1 1212 268 268 VAL CA C 57.040 0.05 1 1213 268 268 VAL CB C 33.450 0.05 1 1214 268 268 VAL N N 119.250 0.05 1 1215 269 269 ALA H H 8.860 0.005 1 1216 269 269 ALA C C 177.750 0.05 1 1217 269 269 ALA CA C 49.680 0.05 1 1218 269 269 ALA CB C 24.710 0.05 1 1219 269 269 ALA N N 122.970 0.05 1 1220 270 270 ASP H H 8.420 0.005 1 1221 270 270 ASP C C 174.850 0.05 1 1222 270 270 ASP CA C 53.970 0.05 1 1223 270 270 ASP CB C 38.760 0.05 1 1224 270 270 ASP N N 121.530 0.05 1 1225 271 271 ARG H H 7.360 0.005 1 1226 271 271 ARG C C 173.500 0.05 1 1227 271 271 ARG CB C 32.410 0.05 1 1228 271 271 ARG N N 117.550 0.05 1 1229 273 273 ALA H H 7.460 0.005 1 1230 273 273 ALA C C 177.010 0.05 1 1231 273 273 ALA CA C 51.750 0.05 1 1232 273 273 ALA CB C 21.670 0.05 1 1233 273 273 ALA N N 124.580 0.05 1 1234 275 275 ASP H H 8.120 0.005 1 1235 275 275 ASP C C 175.460 0.05 1 1236 275 275 ASP CA C 51.770 0.05 1 1237 275 275 ASP CB C 38.690 0.05 1 1238 275 275 ASP N N 114.910 0.05 1 1239 276 276 ALA H H 6.890 0.005 1 1240 276 276 ALA C C 177.800 0.05 1 1241 276 276 ALA CA C 51.790 0.05 1 1242 276 276 ALA CB C 20.630 0.05 1 1243 276 276 ALA N N 120.060 0.05 1 1244 277 277 ASN H H 8.700 0.005 1 1245 277 277 ASN C C 175.230 0.05 1 1246 277 277 ASN CA C 54.070 0.05 1 1247 277 277 ASN CB C 38.560 0.05 1 1248 277 277 ASN N N 120.460 0.05 1 1249 278 278 THR H H 8.100 0.005 1 1250 278 278 THR C C 174.900 0.05 1 1251 278 278 THR CA C 59.010 0.05 1 1252 278 278 THR CB C 72.400 0.05 1 1253 278 278 THR N N 113.720 0.05 1 1254 279 279 LYS H H 8.560 0.005 1 1255 279 279 LYS C C 174.020 0.05 1 1256 279 279 LYS CA C 54.860 0.05 1 1257 279 279 LYS CB C 35.650 0.05 1 1258 279 279 LYS N N 117.870 0.05 1 1259 280 280 VAL H H 8.300 0.005 1 1260 280 280 VAL C C 176.730 0.05 1 1261 280 280 VAL CA C 61.340 0.05 1 1262 280 280 VAL CB C 31.380 0.05 1 1263 280 280 VAL N N 122.390 0.05 1 1264 281 281 VAL H H 8.750 0.005 1 1265 281 281 VAL C C 172.900 0.05 1 1266 281 281 VAL CA C 56.620 0.05 1 1267 281 281 VAL CB C 33.250 0.05 1 1268 281 281 VAL N N 120.120 0.05 1 1269 283 283 ILE H H 6.860 0.005 1 1270 283 283 ILE C C 173.550 0.05 1 1271 283 283 ILE CA C 61.880 0.05 1 1272 283 283 ILE CB C 38.490 0.05 1 1273 283 283 ILE N N 113.630 0.05 1 1274 284 284 ASP H H 7.570 0.005 1 1275 284 284 ASP C C 175.800 0.05 1 1276 284 284 ASP CA C 52.310 0.05 1 1277 284 284 ASP CB C 39.080 0.05 1 1278 284 284 ASP N N 115.290 0.05 1 1279 285 285 ALA H H 7.630 0.005 1 1280 285 285 ALA C C 176.540 0.05 1 1281 285 285 ALA CA C 50.200 0.05 1 1282 285 285 ALA CB C 18.760 0.05 1 1283 285 285 ALA N N 125.190 0.05 1 1284 286 286 ILE H H 8.740 0.005 1 1285 286 286 ILE C C 174.490 0.05 1 1286 286 286 ILE CA C 60.930 0.05 1 1287 286 286 ILE CB C 36.680 0.05 1 1288 286 286 ILE N N 124.180 0.05 1 1289 288 288 ALA H H 8.020 0.005 1 1290 288 288 ALA C C 178.220 0.05 1 1291 288 288 ALA CA C 54.330 0.05 1 1292 288 288 ALA CB C 18.310 0.05 1 1293 288 288 ALA N N 122.380 0.05 1 1294 289 289 ASP H H 8.610 0.005 1 1295 289 289 ASP C C 175.420 0.05 1 1296 289 289 ASP CA C 53.290 0.05 1 1297 289 289 ASP CB C 39.270 0.05 1 1298 289 289 ASP N N 111.050 0.05 1 1299 290 290 TYR H H 7.820 0.005 1 1300 290 290 TYR C C 174.570 0.05 1 1301 290 290 TYR CA C 56.280 0.05 1 1302 290 290 TYR CB C 40.500 0.05 1 1303 290 290 TYR N N 121.130 0.05 1 1304 291 291 SER H H 8.610 0.005 1 1305 291 291 SER C C 173.330 0.05 1 1306 291 291 SER CA C 56.400 0.05 1 1307 291 291 SER CB C 64.900 0.05 1 1308 291 291 SER N N 112.430 0.05 1 1309 292 292 ALA H H 8.480 0.005 1 1310 292 292 ALA C C 176.170 0.05 1 1311 292 292 ALA CA C 51.650 0.05 1 1312 292 292 ALA CB C 16.750 0.05 1 1313 292 292 ALA N N 127.940 0.05 1 1314 293 293 LEU H H 7.970 0.005 1 1315 293 293 LEU C C 175.140 0.05 1 1316 293 293 LEU CA C 54.410 0.05 1 1317 293 293 LEU CB C 42.380 0.05 1 1318 293 293 LEU N N 124.730 0.05 1 1319 294 294 ASP H H 7.880 0.005 1 1320 294 294 ASP C C 176.630 0.05 1 1321 294 294 ASP CA C 53.410 0.05 1 1322 294 294 ASP CB C 42.960 0.05 1 1323 294 294 ASP N N 113.250 0.05 1 1324 295 295 ILE H H 8.650 0.005 1 1325 295 295 ILE C C 176.680 0.05 1 1326 295 295 ILE CA C 61.360 0.05 1 1327 295 295 ILE CB C 38.110 0.05 1 1328 295 295 ILE N N 115.240 0.05 1 1329 296 296 GLY H H 8.060 0.005 1 1330 296 296 GLY C C 182.060 0.05 1 1331 296 296 GLY CA C 44.910 0.05 1 1332 296 296 GLY N N 111.530 0.05 1 1333 298 298 LYS H H 10.340 0.005 1 1334 298 298 LYS C C 180.560 0.05 1 1335 298 298 LYS CA C 58.930 0.05 1 1336 298 298 LYS CB C 30.340 0.05 1 1337 298 298 LYS N N 123.810 0.05 1 1338 299 299 THR H H 9.140 0.005 1 1339 299 299 THR C C 175.060 0.05 1 1340 299 299 THR CA C 67.070 0.05 1 1341 299 299 THR CB C 67.740 0.05 1 1342 299 299 THR N N 120.800 0.05 1 1343 300 300 ARG H H 7.760 0.005 1 1344 300 300 ARG C C 177.660 0.05 1 1345 300 300 ARG CA C 59.710 0.05 1 1346 300 300 ARG CB C 30.410 0.05 1 1347 300 300 ARG N N 118.970 0.05 1 1348 301 301 GLU H H 7.030 0.005 1 1349 301 301 GLU C C 177.610 0.05 1 1350 301 301 GLU CA C 59.120 0.05 1 1351 301 301 GLU CB C 28.980 0.05 1 1352 301 301 GLU N N 117.890 0.05 1 1353 302 302 LEU H H 7.510 0.005 1 1354 302 302 LEU C C 178.970 0.05 1 1355 302 302 LEU CA C 57.370 0.05 1 1356 302 302 LEU CB C 41.470 0.05 1 1357 302 302 LEU N N 120.920 0.05 1 1358 303 303 TYR H H 8.560 0.005 1 1359 303 303 TYR C C 178.220 0.05 1 1360 303 303 TYR CA C 57.180 0.05 1 1361 303 303 TYR CB C 34.680 0.05 1 1362 303 303 TYR N N 117.030 0.05 1 1363 304 304 ARG H H 7.860 0.005 1 1364 304 304 ARG C C 177.430 0.05 1 1365 304 304 ARG CA C 59.690 0.05 1 1366 304 304 ARG CB C 28.720 0.05 1 1367 304 304 ARG N N 119.610 0.05 1 1368 305 305 ASP H H 7.520 0.005 1 1369 305 305 ASP C C 178.410 0.05 1 1370 305 305 ASP CA C 57.360 0.05 1 1371 305 305 ASP CB C 39.210 0.05 1 1372 305 305 ASP N N 119.830 0.05 1 1373 306 306 VAL H H 7.200 0.005 1 1374 306 306 VAL C C 180.230 0.05 1 1375 306 306 VAL CA C 65.090 0.05 1 1376 306 306 VAL CB C 30.730 0.05 1 1377 306 306 VAL N N 119.940 0.05 1 1378 307 307 ILE H H 7.870 0.005 1 1379 307 307 ILE C C 177.380 0.05 1 1380 307 307 ILE CA C 66.170 0.05 1 1381 307 307 ILE CB C 36.750 0.05 1 1382 307 307 ILE N N 122.900 0.05 1 1383 308 308 ARG H H 7.910 0.005 1 1384 308 308 ARG C C 177.660 0.05 1 1385 308 308 ARG CA C 58.610 0.05 1 1386 308 308 ARG CB C 29.440 0.05 1 1387 308 308 ARG N N 116.300 0.05 1 1388 309 309 GLU H H 6.930 0.005 1 1389 309 309 GLU C C 176.730 0.05 1 1390 309 309 GLU CA C 55.410 0.05 1 1391 309 309 GLU CB C 29.500 0.05 1 1392 309 309 GLU N N 116.190 0.05 1 1393 310 310 SER H H 7.610 0.005 1 1394 310 310 SER C C 172.900 0.05 1 1395 310 310 SER CA C 58.910 0.05 1 1396 310 310 SER CB C 64.190 0.05 1 1397 310 310 SER N N 114.760 0.05 1 1398 311 311 LYS H H 9.250 0.005 1 1399 311 311 LYS C C 176.540 0.05 1 1400 311 311 LYS CA C 55.630 0.05 1 1401 311 311 LYS CB C 32.870 0.05 1 1402 311 311 LYS N N 123.530 0.05 1 1403 312 312 LEU H H 7.850 0.005 1 1404 312 312 LEU C C 174.720 0.05 1 1405 312 312 LEU CA C 54.760 0.05 1 1406 312 312 LEU CB C 44.000 0.05 1 1407 312 312 LEU N N 125.940 0.05 1 1408 313 313 VAL H H 9.170 0.005 1 1409 313 313 VAL C C 174.060 0.05 1 1410 313 313 VAL CA C 59.810 0.05 1 1411 313 313 VAL CB C 34.550 0.05 1 1412 313 313 VAL N N 127.610 0.05 1 1413 314 314 VAL H H 8.170 0.005 1 1414 314 314 VAL C C 174.270 0.05 1 1415 314 314 VAL CA C 60.470 0.05 1 1416 314 314 VAL CB C 33.250 0.05 1 1417 314 314 VAL N N 125.110 0.05 1 1418 315 315 TRP H H 9.360 0.005 1 1419 315 315 TRP C C 174.400 0.05 1 1420 315 315 TRP CA C 52.540 0.05 1 1421 315 315 TRP CB C 32.280 0.05 1 1422 315 315 TRP N N 129.420 0.05 1 1423 316 316 ASN H H 8.630 0.005 1 1424 316 316 ASN C C 172.900 0.05 1 1425 316 316 ASN CA C 54.070 0.05 1 1426 316 316 ASN CB C 43.090 0.05 1 1427 316 316 ASN N N 123.860 0.05 1 1428 317 317 GLY H H 8.460 0.005 1 1429 317 317 GLY CA C 42.410 0.05 1 1430 317 317 GLY N N 115.620 0.05 1 1431 319 319 MET H H 8.290 0.005 1 1432 319 319 MET C C 173.970 0.05 1 1433 319 319 MET CA C 55.710 0.05 1 1434 319 319 MET CB C 37.070 0.05 1 1435 319 319 MET N N 118.900 0.05 1 1436 320 320 GLY H H 7.600 0.005 1 1437 320 320 GLY C C 173.360 0.05 1 1438 320 320 GLY CA C 46.350 0.05 1 1439 320 320 GLY N N 108.500 0.05 1 1440 321 321 VAL H H 7.780 0.005 1 1441 321 321 VAL C C 174.440 0.05 1 1442 321 321 VAL CA C 60.030 0.05 1 1443 321 321 VAL CB C 28.400 0.05 1 1444 321 321 VAL N N 122.480 0.05 1 1445 322 322 PHE H H 8.200 0.005 1 1446 322 322 PHE C C 173.040 0.05 1 1447 322 322 PHE CA C 58.610 0.05 1 1448 322 322 PHE CB C 37.780 0.05 1 1449 322 322 PHE N N 123.360 0.05 1 1450 323 323 GLU H H 8.940 0.005 1 1451 323 323 GLU C C 177.370 0.05 1 1452 323 323 GLU CA C 59.140 0.05 1 1453 323 323 GLU CB C 27.370 0.05 1 1454 323 323 GLU N N 121.560 0.05 1 1455 324 324 MET H H 7.740 0.005 1 1456 324 324 MET C C 175.470 0.05 1 1457 324 324 MET CA C 54.180 0.05 1 1458 324 324 MET CB C 34.160 0.05 1 1459 324 324 MET N N 118.160 0.05 1 1460 325 325 ASP H H 8.340 0.005 1 1461 325 325 ASP C C 178.220 0.05 1 1462 325 325 ASP CA C 57.620 0.05 1 1463 325 325 ASP CB C 39.980 0.05 1 1464 325 325 ASP N N 125.120 0.05 1 1465 326 326 ALA H H 8.710 0.005 1 1466 326 326 ALA C C 178.690 0.05 1 1467 326 326 ALA CA C 53.620 0.05 1 1468 326 326 ALA CB C 16.820 0.05 1 1469 326 326 ALA N N 118.730 0.05 1 1470 327 327 PHE H H 7.670 0.005 1 1471 327 327 PHE C C 175.000 0.05 1 1472 327 327 PHE CA C 54.720 0.05 1 1473 327 327 PHE CB C 37.010 0.05 1 1474 327 327 PHE N N 114.520 0.05 1 1475 328 328 ALA H H 7.070 0.005 1 1476 328 328 ALA C C 177.620 0.05 1 1477 328 328 ALA CA C 52.740 0.05 1 1478 328 328 ALA CB C 19.790 0.05 1 1479 328 328 ALA N N 119.310 0.05 1 1480 329 329 HIS H H 7.250 0.005 1 1481 329 329 HIS C C 179.300 0.05 1 1482 329 329 HIS CA C 59.350 0.05 1 1483 329 329 HIS CB C 30.020 0.05 1 1484 329 329 HIS N N 117.650 0.05 1 1485 330 330 GLY H H 11.400 0.005 1 1486 330 330 GLY C C 175.140 0.05 1 1487 330 330 GLY CA C 46.820 0.05 1 1488 330 330 GLY N N 113.910 0.05 1 1489 332 332 LYS H H 8.100 0.005 1 1490 332 332 LYS C C 177.060 0.05 1 1491 332 332 LYS CA C 60.030 0.05 1 1492 332 332 LYS CB C 31.120 0.05 1 1493 332 332 LYS N N 124.510 0.05 1 1494 333 333 ALA H H 7.900 0.005 1 1495 333 333 ALA C C 180.370 0.05 1 1496 333 333 ALA CA C 54.280 0.05 1 1497 333 333 ALA CB C 17.270 0.05 1 1498 333 333 ALA N N 118.190 0.05 1 1499 334 334 ILE H H 7.000 0.005 1 1500 334 334 ILE C C 176.680 0.05 1 1501 334 334 ILE CA C 61.690 0.05 1 1502 334 334 ILE CB C 34.610 0.05 1 1503 334 334 ILE N N 117.800 0.05 1 1504 335 335 ALA H H 7.940 0.005 1 1505 335 335 ALA C C 178.970 0.05 1 1506 335 335 ALA CA C 55.410 0.05 1 1507 335 335 ALA CB C 17.660 0.05 1 1508 335 335 ALA N N 122.260 0.05 1 1509 336 336 GLU H H 8.860 0.005 1 1510 336 336 GLU C C 178.460 0.05 1 1511 336 336 GLU CA C 59.370 0.05 1 1512 336 336 GLU CB C 29.180 0.05 1 1513 336 336 GLU N N 117.700 0.05 1 1514 337 337 ALA H H 7.460 0.005 1 1515 337 337 ALA C C 180.050 0.05 1 1516 337 337 ALA CA C 54.090 0.05 1 1517 337 337 ALA CB C 17.460 0.05 1 1518 337 337 ALA N N 120.200 0.05 1 1519 338 338 LEU H H 7.650 0.005 1 1520 338 338 LEU C C 178.830 0.05 1 1521 338 338 LEU CA C 57.050 0.05 1 1522 338 338 LEU CB C 41.020 0.05 1 1523 338 338 LEU N N 116.900 0.05 1 1524 339 339 ALA H H 8.230 0.005 1 1525 339 339 ALA C C 179.110 0.05 1 1526 339 339 ALA CA C 54.180 0.05 1 1527 339 339 ALA CB C 19.080 0.05 1 1528 339 339 ALA N N 121.630 0.05 1 1529 340 340 GLU H H 7.540 0.005 1 1530 340 340 GLU C C 175.840 0.05 1 1531 340 340 GLU CA C 55.610 0.05 1 1532 340 340 GLU CB C 29.500 0.05 1 1533 340 340 GLU N N 114.460 0.05 1 1534 341 341 ALA H H 7.090 0.005 1 1535 341 341 ALA C C 177.200 0.05 1 1536 341 341 ALA CA C 51.220 0.05 1 1537 341 341 ALA CB C 15.590 0.05 1 1538 341 341 ALA N N 126.060 0.05 1 1539 342 342 LEU H H 7.840 0.005 1 1540 342 342 LEU C C 178.400 0.05 1 1541 342 342 LEU CA C 56.840 0.05 1 1542 342 342 LEU CB C 40.890 0.05 1 1543 342 342 LEU N N 123.620 0.05 1 1544 343 343 ASP H H 8.420 0.005 1 1545 343 343 ASP C C 174.760 0.05 1 1546 343 343 ASP CA C 53.610 0.05 1 1547 343 343 ASP CB C 40.820 0.05 1 1548 343 343 ASP N N 118.220 0.05 1 1549 344 344 THR H H 7.340 0.005 1 1550 344 344 THR C C 172.660 0.05 1 1551 344 344 THR CA C 62.090 0.05 1 1552 344 344 THR CB C 70.010 0.05 1 1553 344 344 THR N N 118.080 0.05 1 1554 345 345 TYR H H 8.330 0.005 1 1555 345 345 TYR C C 174.250 0.05 1 1556 345 345 TYR CA C 57.280 0.05 1 1557 345 345 TYR CB C 37.910 0.05 1 1558 345 345 TYR N N 132.020 0.05 1 1559 346 346 SER H H 9.790 0.005 1 1560 346 346 SER C C 172.990 0.05 1 1561 346 346 SER CA C 55.640 0.05 1 1562 346 346 SER CB C 65.740 0.05 1 1563 346 346 SER N N 124.450 0.05 1 1564 347 347 VAL H H 8.680 0.005 1 1565 347 347 VAL C C 174.910 0.05 1 1566 347 347 VAL CA C 60.030 0.05 1 1567 347 347 VAL CB C 33.190 0.05 1 1568 347 347 VAL N N 123.170 0.05 1 1569 348 348 ILE H H 8.450 0.005 1 1570 348 348 ILE C C 174.870 0.05 1 1571 348 348 ILE CA C 57.930 0.05 1 1572 348 348 ILE CB C 39.460 0.05 1 1573 348 348 ILE N N 126.680 0.05 1 1574 349 349 GLY H H 8.640 0.005 1 1575 349 349 GLY C C 173.220 0.05 1 1576 349 349 GLY CA C 45.060 0.05 1 1577 349 349 GLY N N 111.350 0.05 1 1578 350 350 GLY H H 6.500 0.005 1 1579 350 350 GLY C C 174.980 0.05 1 1580 350 350 GLY CA C 43.370 0.05 1 1581 350 350 GLY N N 109.090 0.05 1 1582 352 352 ASP H H 10.530 0.005 1 1583 352 352 ASP C C 178.310 0.05 1 1584 352 352 ASP CA C 57.820 0.05 1 1585 352 352 ASP CB C 40.440 0.05 1 1586 352 352 ASP N N 125.080 0.05 1 1587 353 353 SER H H 7.660 0.005 1 1588 353 353 SER C C 174.910 0.05 1 1589 353 353 SER CA C 63.520 0.05 1 1590 353 353 SER CB C 61.600 0.05 1 1591 353 353 SER N N 115.920 0.05 1 1592 354 354 ALA H H 7.840 0.005 1 1593 354 354 ALA C C 178.870 0.05 1 1594 354 354 ALA CA C 54.630 0.05 1 1595 354 354 ALA CB C 16.820 0.05 1 1596 354 354 ALA N N 122.690 0.05 1 1597 355 355 ALA H H 6.980 0.005 1 1598 355 355 ALA C C 180.000 0.05 1 1599 355 355 ALA CA C 54.280 0.05 1 1600 355 355 ALA CB C 17.460 0.05 1 1601 355 355 ALA N N 118.070 0.05 1 1602 356 356 ALA H H 7.160 0.005 1 1603 356 356 ALA C C 176.780 0.05 1 1604 356 356 ALA CA C 54.730 0.05 1 1605 356 356 ALA CB C 15.200 0.05 1 1606 356 356 ALA N N 120.580 0.05 1 1607 357 357 VAL H H 6.900 0.005 1 1608 357 357 VAL C C 178.220 0.05 1 1609 357 357 VAL CA C 66.740 0.05 1 1610 357 357 VAL CB C 30.340 0.05 1 1611 357 357 VAL N N 113.320 0.05 1 1612 358 358 GLU H H 7.920 0.005 1 1613 358 358 GLU C C 180.470 0.05 1 1614 358 358 GLU CA C 58.290 0.05 1 1615 358 358 GLU CB C 28.530 0.05 1 1616 358 358 GLU N N 120.050 0.05 1 1617 359 359 LYS H H 7.990 0.005 1 1618 359 359 LYS C C 178.780 0.05 1 1619 359 359 LYS CA C 58.830 0.05 1 1620 359 359 LYS CB C 30.860 0.05 1 1621 359 359 LYS N N 124.250 0.05 1 1622 360 360 PHE H H 7.130 0.005 1 1623 360 360 PHE C C 175.980 0.05 1 1624 360 360 PHE CA C 54.980 0.05 1 1625 360 360 PHE CB C 38.240 0.05 1 1626 360 360 PHE N N 114.120 0.05 1 1627 361 361 GLY H H 8.020 0.005 1 1628 361 361 GLY C C 176.260 0.05 1 1629 361 361 GLY CA C 46.460 0.05 1 1630 361 361 GLY N N 109.650 0.05 1 1631 362 362 LEU H H 7.420 0.005 1 1632 362 362 LEU C C 177.330 0.05 1 1633 362 362 LEU CA C 53.450 0.05 1 1634 362 362 LEU CB C 43.870 0.05 1 1635 362 362 LEU N N 116.730 0.05 1 1636 363 363 ALA H H 8.110 0.005 1 1637 363 363 ALA C C 178.930 0.05 1 1638 363 363 ALA CA C 55.950 0.05 1 1639 363 363 ALA CB C 17.980 0.05 1 1640 363 363 ALA N N 124.040 0.05 1 1641 364 364 ASP H H 8.330 0.005 1 1642 364 364 ASP C C 176.680 0.05 1 1643 364 364 ASP CA C 54.620 0.05 1 1644 364 364 ASP CB C 39.080 0.05 1 1645 364 364 ASP N N 113.240 0.05 1 1646 365 365 LYS H H 7.330 0.005 1 1647 365 365 LYS C C 176.120 0.05 1 1648 365 365 LYS CA C 54.540 0.05 1 1649 365 365 LYS CB C 31.890 0.05 1 1650 365 365 LYS N N 117.020 0.05 1 1651 366 366 MET H H 7.010 0.005 1 1652 366 366 MET C C 176.680 0.05 1 1653 366 366 MET CA C 51.750 0.05 1 1654 366 366 MET CB C 31.380 0.05 1 1655 366 366 MET N N 116.320 0.05 1 1656 367 367 ASP H H 8.410 0.005 1 1657 367 367 ASP C C 177.380 0.05 1 1658 367 367 ASP CA C 58.360 0.05 1 1659 367 367 ASP CB C 40.240 0.05 1 1660 367 367 ASP N N 124.070 0.05 1 1661 368 368 HIS H H 8.020 0.005 1 1662 368 368 HIS C C 172.850 0.05 1 1663 368 368 HIS CA C 56.920 0.05 1 1664 368 368 HIS CB C 33.580 0.05 1 1665 368 368 HIS N N 116.450 0.05 1 1666 369 369 ILE H H 7.360 0.005 1 1667 369 369 ILE C C 175.180 0.05 1 1668 369 369 ILE CA C 57.940 0.05 1 1669 369 369 ILE CB C 35.520 0.05 1 1670 369 369 ILE N N 127.690 0.05 1 1671 370 370 SER H H 9.530 0.005 1 1672 370 370 SER C C 176.360 0.05 1 1673 370 370 SER CA C 55.640 0.05 1 1674 370 370 SER CB C 63.470 0.05 1 1675 370 370 SER N N 119.580 0.05 1 1676 371 371 THR H H 10.270 0.005 1 1677 371 371 THR C C 174.910 0.05 1 1678 371 371 THR CA C 63.100 0.05 1 1679 371 371 THR CB C 70.270 0.05 1 1680 371 371 THR N N 119.020 0.05 1 1681 372 372 GLY H H 9.150 0.005 1 1682 372 372 GLY C C 171.260 0.05 1 1683 372 372 GLY CA C 44.800 0.05 1 1684 372 372 GLY N N 110.250 0.05 1 1685 373 373 GLY H H 8.530 0.005 1 1686 373 373 GLY C C 174.300 0.05 1 1687 373 373 GLY CA C 46.800 0.05 1 1688 373 373 GLY N N 118.340 0.05 1 1689 375 375 ALA H H 7.620 0.005 1 1690 375 375 ALA C C 179.340 0.05 1 1691 375 375 ALA CA C 55.100 0.05 1 1692 375 375 ALA CB C 18.630 0.05 1 1693 375 375 ALA N N 120.190 0.05 1 1694 376 376 SER H H 6.080 0.005 1 1695 376 376 SER C C 176.590 0.05 1 1696 376 376 SER CA C 63.220 0.05 1 1697 376 376 SER CB C 61.920 0.05 1 1698 376 376 SER N N 112.050 0.05 1 1699 377 377 LEU H H 7.930 0.005 1 1700 377 377 LEU C C 178.550 0.05 1 1701 377 377 LEU CA C 57.850 0.05 1 1702 377 377 LEU CB C 41.210 0.05 1 1703 377 377 LEU N N 121.020 0.05 1 1704 378 378 GLU H H 7.510 0.005 1 1705 378 378 GLU C C 179.020 0.05 1 1706 378 378 GLU CA C 59.820 0.05 1 1707 378 378 GLU CB C 27.950 0.05 1 1708 378 378 GLU N N 117.180 0.05 1 1709 379 379 PHE H H 8.180 0.005 1 1710 379 379 PHE C C 180.280 0.05 1 1711 379 379 PHE CA C 61.230 0.05 1 1712 379 379 PHE CB C 38.820 0.05 1 1713 379 379 PHE N N 120.680 0.05 1 1714 380 380 MET H H 8.570 0.005 1 1715 380 380 MET C C 176.630 0.05 1 1716 380 380 MET CA C 58.150 0.05 1 1717 380 380 MET CB C 32.990 0.05 1 1718 380 380 MET N N 121.280 0.05 1 1719 381 381 GLU H H 7.870 0.005 1 1720 381 381 GLU CA C 58.600 0.05 1 1721 381 381 GLU CB C 30.860 0.05 1 1722 381 381 GLU N N 117.460 0.05 1 1723 383 383 LYS H H 6.900 0.005 1 1724 383 383 LYS C C 176.160 0.05 1 1725 383 383 LYS CA C 55.530 0.05 1 1726 383 383 LYS CB C 32.670 0.05 1 1727 383 383 LYS N N 119.760 0.05 1 1728 384 384 GLN H H 8.210 0.005 1 1729 384 384 GLN C C 175.890 0.05 1 1730 384 384 GLN CA C 54.220 0.05 1 1731 384 384 GLN CB C 27.490 0.05 1 1732 384 384 GLN N N 120.070 0.05 1 1733 385 385 LEU H H 8.740 0.005 1 1734 385 385 LEU CA C 52.310 0.05 1 1735 385 385 LEU CB C 39.470 0.05 1 1736 385 385 LEU N N 127.430 0.05 1 1737 387 387 GLY H H 8.590 0.005 1 1738 387 387 GLY C C 173.830 0.05 1 1739 387 387 GLY CA C 45.480 0.05 1 1740 387 387 GLY N N 100.950 0.05 1 1741 388 388 VAL H H 7.270 0.005 1 1742 388 388 VAL C C 178.180 0.05 1 1743 388 388 VAL CA C 64.200 0.05 1 1744 388 388 VAL CB C 31.960 0.05 1 1745 388 388 VAL N N 117.250 0.05 1 1746 389 389 VAL H H 7.950 0.005 1 1747 389 389 VAL C C 176.630 0.05 1 1748 389 389 VAL CA C 64.960 0.05 1 1749 389 389 VAL CB C 31.310 0.05 1 1750 389 389 VAL N N 117.210 0.05 1 1751 390 390 ALA H H 6.880 0.005 1 1752 390 390 ALA C C 176.960 0.05 1 1753 390 390 ALA CA C 52.520 0.05 1 1754 390 390 ALA CB C 18.440 0.05 1 1755 390 390 ALA N N 117.100 0.05 1 1756 391 391 LEU H H 7.160 0.005 1 1757 391 391 LEU C C 177.430 0.05 1 1758 391 391 LEU CA C 53.620 0.05 1 1759 391 391 LEU CB C 41.080 0.05 1 1760 391 391 LEU N N 114.620 0.05 1 1761 392 392 GLU H H 8.490 0.005 1 1762 392 392 GLU C C 176.780 0.05 1 1763 392 392 GLU CA C 57.380 0.05 1 1764 392 392 GLU CB C 30.660 0.05 1 1765 392 392 GLU N N 122.190 0.05 1 1766 393 393 ASP H H 8.340 0.005 1 1767 393 393 ASP C C 176.260 0.05 1 1768 393 393 ASP CA C 54.710 0.05 1 1769 393 393 ASP CB C 41.340 0.05 1 1770 393 393 ASP N N 123.330 0.05 1 1771 394 394 LYS H H 7.910 0.005 1 1772 394 394 LYS C C 181.490 0.05 1 1773 394 394 LYS CA C 58.590 0.05 1 1774 394 394 LYS CB C 32.670 0.05 1 1775 394 394 LYS N N 126.260 0.05 1 stop_ save_