data_16451 ####################### # 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 16451 _BMRB_flat_file_name bmr16451.str _Entry_type original _Submission_date 2009-08-17 _Accession_date 2009-08-17 _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. . 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_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 355 "13C chemical shifts" 701 "15N chemical shifts" 355 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 adp-PGK _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PGK $PGK 'Adenosine Diphosphate' $ADP 'Magnesium(+2) cation' $MG 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 'not present' _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 16464 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 Tue Jun 9 12:50:05 2009 ; 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 Tue Jun 9 15:08:25 2009 ; 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 '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]' TRIS 20 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' DTT 5 mM 'natural abundance' $ADP 10 mM 'natural abundance' 'magnesium chloride' 20 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % '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_3D_TROSY_ct-HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY ct-HNCA' _Sample_label $sample_1 save_ save_ct-HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name ct-HN(CO)CA _Sample_label $sample_1 save_ save_HN(CA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label $sample_1 save_ save_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _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' 0.05 . 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 TSP C 13 protons ppm 0 internal indirect . . . 0.25144953 TSP H 1 protons ppm 0 internal direct . . . 1.0 TSP N 15 protons ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D TROSY ct-HNCA' ct-HN(CO)CA HN(CA)CB HN(COCA)CB 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 3 3 LYS H H 8.050 0.005 1 2 3 3 LYS CA C 52.740 0.05 1 3 3 3 LYS CB C 32.610 0.05 1 4 3 3 LYS N N 120.050 0.05 1 5 4 4 LYS H H 8.630 0.005 1 6 4 4 LYS CA C 57.480 0.05 1 7 4 4 LYS CB C 35.000 0.05 1 8 4 4 LYS N N 121.510 0.05 1 9 5 5 THR H H 9.380 0.005 1 10 5 5 THR CA C 59.830 0.05 1 11 5 5 THR CB C 74.280 0.05 1 12 5 5 THR N N 112.120 0.05 1 13 6 6 ILE H H 7.080 0.005 1 14 6 6 ILE CA C 63.320 0.05 1 15 6 6 ILE CB C 36.740 0.05 1 16 6 6 ILE N N 112.260 0.05 1 17 7 7 ARG H H 7.510 0.005 1 18 7 7 ARG CA C 57.050 0.05 1 19 7 7 ARG CB C 29.890 0.05 1 20 7 7 ARG N N 115.480 0.05 1 21 8 8 ASP H H 7.860 0.005 1 22 8 8 ASP CA C 55.060 0.05 1 23 8 8 ASP CB C 42.640 0.05 1 24 8 8 ASP N N 116.560 0.05 1 25 9 9 VAL H H 7.060 0.005 1 26 9 9 VAL CA C 58.290 0.05 1 27 9 9 VAL CB C 34.420 0.05 1 28 9 9 VAL N N 113.930 0.05 1 29 10 10 ASP H H 8.170 0.005 1 30 10 10 ASP CA C 52.880 0.05 1 31 10 10 ASP CB C 40.760 0.05 1 32 10 10 ASP N N 121.740 0.05 1 33 11 11 VAL H H 8.170 0.005 1 34 11 11 VAL CA C 60.570 0.05 1 35 11 11 VAL CB C 31.380 0.05 1 36 11 11 VAL N N 117.390 0.05 1 37 12 12 ARG H H 7.670 0.005 1 38 12 12 ARG CA C 58.410 0.05 1 39 12 12 ARG CB C 28.590 0.05 1 40 12 12 ARG N N 124.310 0.05 1 41 13 13 GLY H H 8.520 0.005 1 42 13 13 GLY CA C 45.700 0.05 1 43 13 13 GLY N N 116.220 0.05 1 44 14 14 LYS H H 7.930 0.005 1 45 14 14 LYS CA C 54.400 0.05 1 46 14 14 LYS CB C 32.480 0.05 1 47 14 14 LYS N N 120.610 0.05 1 48 15 15 ARG H H 9.500 0.005 1 49 15 15 ARG CA C 55.160 0.05 1 50 15 15 ARG CB C 29.370 0.05 1 51 15 15 ARG N N 122.540 0.05 1 52 16 16 VAL H H 9.350 0.005 1 53 16 16 VAL CA C 60.660 0.05 1 54 16 16 VAL CB C 32.930 0.05 1 55 16 16 VAL N N 129.040 0.05 1 56 17 17 PHE H H 8.770 0.005 1 57 17 17 PHE CA C 56.160 0.05 1 58 17 17 PHE CB C 39.080 0.05 1 59 17 17 PHE N N 131.270 0.05 1 60 18 18 CYS H H 9.660 0.005 1 61 18 18 CYS CA C 55.410 0.05 1 62 18 18 CYS CB C 27.620 0.05 1 63 18 18 CYS N N 131.610 0.05 1 64 19 19 ARG H H 9.060 0.005 1 65 19 19 ARG CA C 53.720 0.05 1 66 19 19 ARG CB C 32.020 0.05 1 67 19 19 ARG N N 130.240 0.05 1 68 20 20 VAL H H 8.440 0.005 1 69 20 20 VAL CA C 58.140 0.05 1 70 20 20 VAL CB C 35.000 0.05 1 71 20 20 VAL N N 120.010 0.05 1 72 21 21 ASP H H 8.980 0.005 1 73 21 21 ASP CA C 51.330 0.05 1 74 21 21 ASP CB C 40.240 0.05 1 75 21 21 ASP N N 121.260 0.05 1 76 22 22 PHE H H 8.190 0.005 1 77 22 22 PHE CA C 50.690 0.05 1 78 22 22 PHE CB C 36.420 0.05 1 79 22 22 PHE N N 122.280 0.05 1 80 23 23 ASN H H 7.800 0.005 1 81 23 23 ASN CA C 52.420 0.05 1 82 23 23 ASN CB C 35.910 0.05 1 83 23 23 ASN N N 118.790 0.05 1 84 24 24 VAL H H 7.680 0.005 1 85 24 24 VAL CA C 57.720 0.05 1 86 24 24 VAL CB C 29.690 0.05 1 87 24 24 VAL N N 118.610 0.05 1 88 26 26 MET H H 7.970 0.005 1 89 26 26 MET CA C 53.970 0.05 1 90 26 26 MET CB C 37.200 0.05 1 91 26 26 MET N N 120.680 0.05 1 92 27 27 GLU H H 8.810 0.005 1 93 27 27 GLU CA C 55.710 0.05 1 94 27 27 GLU CB C 32.090 0.05 1 95 27 27 GLU N N 121.800 0.05 1 96 29 29 GLY H H 8.670 0.005 1 97 29 29 GLY CA C 45.150 0.05 1 98 29 29 GLY N N 105.260 0.05 1 99 30 30 ALA H H 7.790 0.005 1 100 30 30 ALA CA C 49.470 0.05 1 101 30 30 ALA CB C 20.310 0.05 1 102 30 30 ALA N N 123.970 0.05 1 103 31 31 ILE H H 8.590 0.005 1 104 31 31 ILE CA C 61.660 0.05 1 105 31 31 ILE CB C 38.110 0.05 1 106 31 31 ILE N N 122.260 0.05 1 107 32 32 THR H H 8.640 0.005 1 108 32 32 THR CA C 62.210 0.05 1 109 32 32 THR CB C 68.000 0.05 1 110 32 32 THR N N 120.970 0.05 1 111 33 33 ASP H H 6.400 0.005 1 112 33 33 ASP CA C 53.990 0.05 1 113 33 33 ASP CB C 41.540 0.05 1 114 33 33 ASP N N 119.940 0.05 1 115 34 34 ASP H H 8.540 0.005 1 116 34 34 ASP CA C 52.520 0.05 1 117 34 34 ASP CB C 40.050 0.05 1 118 34 34 ASP N N 126.630 0.05 1 119 35 35 THR H H 8.680 0.005 1 120 35 35 THR CA C 68.530 0.05 1 121 35 35 THR CB C 68.180 0.05 1 122 35 35 THR N N 121.620 0.05 1 123 36 36 ARG H H 9.280 0.005 1 124 36 36 ARG CA C 59.780 0.05 1 125 36 36 ARG CB C 29.050 0.05 1 126 36 36 ARG N N 119.660 0.05 1 127 37 37 ILE H H 7.080 0.005 1 128 37 37 ILE CA C 63.790 0.05 1 129 37 37 ILE CB C 36.940 0.05 1 130 37 37 ILE N N 116.920 0.05 1 131 38 38 ARG H H 7.440 0.005 1 132 38 38 ARG CA C 59.160 0.05 1 133 38 38 ARG CB C 28.980 0.05 1 134 38 38 ARG N N 116.970 0.05 1 135 39 39 ALA H H 8.500 0.005 1 136 39 39 ALA CA C 53.870 0.05 1 137 39 39 ALA CB C 17.790 0.05 1 138 39 39 ALA N N 121.740 0.05 1 139 40 40 ALA H H 7.230 0.005 1 140 40 40 ALA CA C 52.320 0.05 1 141 40 40 ALA CB C 19.790 0.05 1 142 40 40 ALA N N 117.930 0.05 1 143 41 41 LEU H H 7.540 0.005 1 144 41 41 LEU CA C 59.050 0.05 1 145 41 41 LEU CB C 38.170 0.05 1 146 41 41 LEU N N 117.370 0.05 1 147 43 43 THR H H 7.880 0.005 1 148 43 43 THR CA C 65.870 0.05 1 149 43 43 THR CB C 68.650 0.05 1 150 43 43 THR N N 117.480 0.05 1 151 44 44 ILE H H 7.630 0.005 1 152 44 44 ILE CA C 66.200 0.05 1 153 44 44 ILE CB C 38.110 0.05 1 154 44 44 ILE N N 121.380 0.05 1 155 45 45 ARG H H 9.670 0.005 1 156 45 45 ARG CA C 59.920 0.05 1 157 45 45 ARG CB C 29.240 0.05 1 158 45 45 ARG N N 118.570 0.05 1 159 46 46 TYR H H 7.820 0.005 1 160 46 46 TYR CA C 61.810 0.05 1 161 46 46 TYR CB C 38.300 0.05 1 162 46 46 TYR N N 120.250 0.05 1 163 47 47 LEU H H 7.870 0.005 1 164 47 47 LEU CA C 58.140 0.05 1 165 47 47 LEU CB C 41.020 0.05 1 166 47 47 LEU N N 120.290 0.05 1 167 48 48 ILE H H 8.430 0.005 1 168 48 48 ILE CA C 65.880 0.05 1 169 48 48 ILE CB C 38.110 0.05 1 170 48 48 ILE N N 119.740 0.05 1 171 49 49 GLU H H 8.610 0.005 1 172 49 49 GLU CA C 58.260 0.05 1 173 49 49 GLU CB C 28.400 0.05 1 174 49 49 GLU N N 121.550 0.05 1 175 50 50 HIS H H 7.470 0.005 1 176 50 50 HIS CA C 57.010 0.05 1 177 50 50 HIS CB C 28.270 0.05 1 178 50 50 HIS N N 115.370 0.05 1 179 51 51 GLY H H 7.670 0.005 1 180 51 51 GLY CA C 46.820 0.05 1 181 51 51 GLY N N 106.480 0.05 1 182 52 52 ALA H H 8.040 0.005 1 183 52 52 ALA N N 123.210 0.05 1 184 52 52 ALA CA C 51.560 0.05 1 185 52 52 ALA CB C 19.660 0.05 1 186 52 52 ALA C C 175.330 0.05 1 187 53 53 LYS H H 8.660 0.005 1 188 53 53 LYS CA C 55.610 0.05 1 189 53 53 LYS CB C 31.570 0.05 1 190 53 53 LYS N N 122.300 0.05 1 191 54 54 VAL H H 8.500 0.005 1 192 54 54 VAL CA C 64.430 0.05 1 193 54 54 VAL CB C 31.640 0.05 1 194 54 54 VAL N N 125.980 0.05 1 195 55 55 ILE H H 8.870 0.005 1 196 55 55 ILE CA C 60.010 0.05 1 197 55 55 ILE CB C 38.950 0.05 1 198 55 55 ILE N N 130.580 0.05 1 199 56 56 LEU H H 9.440 0.005 1 200 56 56 LEU CA C 52.650 0.05 1 201 56 56 LEU CB C 44.190 0.05 1 202 56 56 LEU N N 126.130 0.05 1 203 57 57 ALA H H 7.900 0.005 1 204 57 57 ALA CA C 48.370 0.05 1 205 57 57 ALA CB C 22.830 0.05 1 206 57 57 ALA N N 122.510 0.05 1 207 58 58 SER H H 10.010 0.005 1 208 58 58 SER CA C 56.370 0.05 1 209 58 58 SER CB C 64.640 0.05 1 210 58 58 SER N N 114.890 0.05 1 211 59 59 HIS H H 7.490 0.005 1 212 59 59 HIS CA C 54.880 0.05 1 213 59 59 HIS CB C 34.030 0.05 1 214 59 59 HIS N N 119.220 0.05 1 215 60 60 LEU H H 6.600 0.005 1 216 60 60 LEU CA C 55.310 0.05 1 217 60 60 LEU CB C 44.190 0.05 1 218 60 60 LEU N N 120.450 0.05 1 219 61 61 GLY H H 8.600 0.005 1 220 61 61 GLY CA C 45.300 0.05 1 221 61 61 GLY N N 113.410 0.05 1 222 62 62 ARG H H 8.360 0.005 1 223 62 62 ARG CA C 53.070 0.05 1 224 62 62 ARG CB C 30.020 0.05 1 225 62 62 ARG N N 119.760 0.05 1 226 64 64 LYS H H 8.900 0.005 1 227 64 64 LYS CA C 55.810 0.05 1 228 64 64 LYS CB C 28.590 0.05 1 229 64 64 LYS N N 115.390 0.05 1 230 65 65 GLY H H 7.710 0.005 1 231 65 65 GLY CA C 46.670 0.05 1 232 65 65 GLY N N 105.300 0.05 1 233 66 66 LYS H H 7.000 0.005 1 234 66 66 LYS CA C 53.180 0.05 1 235 66 66 LYS CB C 34.290 0.05 1 236 66 66 LYS N N 117.030 0.05 1 237 67 67 VAL H H 7.640 0.005 1 238 67 67 VAL CA C 63.100 0.05 1 239 67 67 VAL CB C 30.150 0.05 1 240 67 67 VAL N N 118.470 0.05 1 241 69 69 GLU H H 8.890 0.005 1 242 69 69 GLU CA C 59.900 0.05 1 243 69 69 GLU CB C 28.270 0.05 1 244 69 69 GLU N N 128.910 0.05 1 245 70 70 GLU H H 9.010 0.005 1 246 70 70 GLU CA C 58.260 0.05 1 247 70 70 GLU CB C 28.340 0.05 1 248 70 70 GLU N N 116.330 0.05 1 249 71 71 LEU H H 8.020 0.005 1 250 71 71 LEU CA C 52.950 0.05 1 251 71 71 LEU CB C 40.760 0.05 1 252 71 71 LEU N N 118.920 0.05 1 253 72 72 ARG H H 7.180 0.005 1 254 72 72 ARG CA C 57.630 0.05 1 255 72 72 ARG CB C 31.570 0.05 1 256 72 72 ARG N N 118.740 0.05 1 257 73 73 LEU H H 9.470 0.005 1 258 73 73 LEU CA C 55.280 0.05 1 259 73 73 LEU CB C 39.920 0.05 1 260 73 73 LEU N N 118.600 0.05 1 261 74 74 ASP H H 7.920 0.005 1 262 74 74 ASP CA C 58.910 0.05 1 263 74 74 ASP CB C 39.660 0.05 1 264 74 74 ASP N N 121.620 0.05 1 265 75 75 ALA H H 8.970 0.005 1 266 75 75 ALA CA C 54.880 0.05 1 267 75 75 ALA CB C 16.950 0.05 1 268 75 75 ALA N N 122.540 0.05 1 269 76 76 VAL H H 7.300 0.005 1 270 76 76 VAL CA C 65.830 0.05 1 271 76 76 VAL CB C 30.410 0.05 1 272 76 76 VAL N N 120.400 0.05 1 273 77 77 ALA H H 7.970 0.005 1 274 77 77 ALA CA C 55.280 0.05 1 275 77 77 ALA CB C 17.330 0.05 1 276 77 77 ALA N N 122.400 0.05 1 277 78 78 LYS H H 7.550 0.005 1 278 78 78 LYS CA C 58.680 0.05 1 279 78 78 LYS CB C 31.570 0.05 1 280 78 78 LYS N N 117.850 0.05 1 281 79 79 ARG H H 7.710 0.005 1 282 79 79 ARG CA C 56.060 0.05 1 283 79 79 ARG CB C 27.950 0.05 1 284 79 79 ARG N N 120.420 0.05 1 285 80 80 LEU H H 8.820 0.005 1 286 80 80 LEU CA C 57.740 0.05 1 287 80 80 LEU CB C 40.050 0.05 1 288 80 80 LEU N N 120.490 0.05 1 289 81 81 GLY H H 8.070 0.005 1 290 81 81 GLY CA C 47.370 0.05 1 291 81 81 GLY N N 106.600 0.05 1 292 82 82 GLU H H 7.630 0.005 1 293 82 82 GLU CA C 58.510 0.05 1 294 82 82 GLU CB C 29.050 0.05 1 295 82 82 GLU N N 122.290 0.05 1 296 83 83 LEU H H 7.930 0.005 1 297 83 83 LEU CA C 56.700 0.05 1 298 83 83 LEU CB C 41.920 0.05 1 299 83 83 LEU N N 119.560 0.05 1 300 84 84 LEU H H 8.550 0.005 1 301 84 84 LEU CA C 54.830 0.05 1 302 84 84 LEU CB C 42.770 0.05 1 303 84 84 LEU N N 117.570 0.05 1 304 85 85 GLU H H 7.840 0.005 1 305 85 85 GLU CA C 56.830 0.05 1 306 85 85 GLU CB C 26.460 0.05 1 307 85 85 GLU N N 116.800 0.05 1 308 86 86 ARG H H 7.860 0.005 1 309 86 86 ARG CA C 53.060 0.05 1 310 86 86 ARG CB C 31.440 0.05 1 311 86 86 ARG N N 117.820 0.05 1 312 88 88 VAL H H 8.100 0.005 1 313 88 88 VAL CA C 60.880 0.05 1 314 88 88 VAL CB C 33.380 0.05 1 315 88 88 VAL N N 123.540 0.05 1 316 89 89 ALA H H 7.900 0.005 1 317 89 89 ALA CA C 51.200 0.05 1 318 89 89 ALA CB C 19.150 0.05 1 319 89 89 ALA N N 131.200 0.05 1 320 90 90 LYS H H 8.200 0.005 1 321 90 90 LYS CA C 54.830 0.05 1 322 90 90 LYS CB C 33.770 0.05 1 323 90 90 LYS N N 123.070 0.05 1 324 91 91 THR H H 8.180 0.005 1 325 91 91 THR CA C 59.690 0.05 1 326 91 91 THR CB C 70.010 0.05 1 327 91 91 THR N N 118.640 0.05 1 328 92 92 ASN H H 8.870 0.005 1 329 92 92 ASN CA C 52.970 0.05 1 330 92 92 ASN CB C 38.380 0.05 1 331 92 92 ASN N N 118.660 0.05 1 332 93 93 GLU H H 7.270 0.005 1 333 93 93 GLU CA C 54.290 0.05 1 334 93 93 GLU CB C 34.160 0.05 1 335 93 93 GLU N N 116.760 0.05 1 336 94 94 ALA H H 8.910 0.005 1 337 94 94 ALA CA C 51.790 0.05 1 338 94 94 ALA CB C 21.020 0.05 1 339 94 94 ALA N N 123.550 0.05 1 340 95 95 VAL H H 6.900 0.005 1 341 95 95 VAL CA C 58.720 0.05 1 342 95 95 VAL CB C 35.650 0.05 1 343 95 95 VAL N N 105.190 0.05 1 344 96 96 GLY H H 8.500 0.005 1 345 96 96 GLY CA C 43.830 0.05 1 346 96 96 GLY N N 109.370 0.05 1 347 99 99 VAL H H 7.480 0.005 1 348 99 99 VAL CA C 66.090 0.05 1 349 99 99 VAL CB C 30.600 0.05 1 350 99 99 VAL N N 123.360 0.05 1 351 100 100 LYS H H 8.280 0.005 1 352 100 100 LYS CA C 60.010 0.05 1 353 100 100 LYS CB C 31.180 0.05 1 354 100 100 LYS N N 120.630 0.05 1 355 101 101 ALA H H 7.650 0.005 1 356 101 101 ALA CA C 54.380 0.05 1 357 101 101 ALA CB C 17.200 0.05 1 358 101 101 ALA N N 120.100 0.05 1 359 102 102 ALA H H 7.510 0.005 1 360 102 102 ALA CA C 54.430 0.05 1 361 102 102 ALA CB C 17.460 0.05 1 362 102 102 ALA N N 121.780 0.05 1 363 103 103 VAL H H 8.520 0.005 1 364 103 103 VAL CA C 65.630 0.05 1 365 103 103 VAL CB C 30.660 0.05 1 366 103 103 VAL N N 121.140 0.05 1 367 104 104 ASP H H 8.120 0.005 1 368 104 104 ASP CA C 56.300 0.05 1 369 104 104 ASP CB C 40.180 0.05 1 370 104 104 ASP N N 121.110 0.05 1 371 105 105 ARG H H 7.070 0.005 1 372 105 105 ARG CA C 55.960 0.05 1 373 105 105 ARG CB C 30.470 0.05 1 374 105 105 ARG N N 116.190 0.05 1 375 106 106 LEU H H 7.420 0.005 1 376 106 106 LEU CA C 55.730 0.05 1 377 106 106 LEU CB C 41.730 0.05 1 378 106 106 LEU N N 120.910 0.05 1 379 107 107 ASN H H 9.320 0.005 1 380 107 107 ASN CA C 50.980 0.05 1 381 107 107 ASN CB C 40.110 0.05 1 382 107 107 ASN N N 122.500 0.05 1 383 108 108 GLU H H 8.650 0.005 1 384 108 108 GLU CA C 59.340 0.05 1 385 108 108 GLU CB C 28.920 0.05 1 386 108 108 GLU N N 119.740 0.05 1 387 109 109 GLY H H 8.610 0.005 1 388 109 109 GLY C C 172.380 0.05 1 389 109 109 GLY CA C 45.480 0.05 1 390 109 109 GLY N N 114.970 0.05 1 391 110 110 ASP H H 7.900 0.005 1 392 110 110 ASP C C 174.480 0.05 1 393 110 110 ASP CA C 53.740 0.05 1 394 110 110 ASP CB C 42.830 0.05 1 395 110 110 ASP N N 119.620 0.05 1 396 111 111 VAL H H 7.860 0.005 1 397 111 111 VAL CA C 60.380 0.05 1 398 111 111 VAL CB C 33.900 0.05 1 399 111 111 VAL N N 116.430 0.05 1 400 112 112 LEU H H 9.190 0.005 1 401 112 112 LEU CA C 52.780 0.05 1 402 112 112 LEU CB C 46.200 0.05 1 403 112 112 LEU N N 132.600 0.05 1 404 113 113 LEU H H 9.270 0.005 1 405 113 113 LEU CA C 52.970 0.05 1 406 113 113 LEU CB C 44.060 0.05 1 407 113 113 LEU N N 129.820 0.05 1 408 114 114 LEU H H 8.150 0.005 1 409 114 114 LEU CA C 53.420 0.05 1 410 114 114 LEU CB C 41.730 0.05 1 411 114 114 LEU N N 124.590 0.05 1 412 116 116 ASN H H 9.050 0.005 1 413 116 116 ASN CA C 53.290 0.05 1 414 116 116 ASN CB C 38.240 0.05 1 415 116 116 ASN N N 123.610 0.05 1 416 117 117 VAL H H 7.960 0.005 1 417 117 117 VAL CA C 64.970 0.05 1 418 117 117 VAL CB C 30.660 0.05 1 419 117 117 VAL N N 119.870 0.05 1 420 118 118 ARG H H 7.820 0.005 1 421 118 118 ARG CA C 57.250 0.05 1 422 118 118 ARG CB C 29.050 0.05 1 423 118 118 ARG N N 114.370 0.05 1 424 119 119 PHE H H 7.530 0.005 1 425 119 119 PHE CA C 54.180 0.05 1 426 119 119 PHE CB C 36.100 0.05 1 427 119 119 PHE N N 118.540 0.05 1 428 120 120 TYR H H 7.150 0.005 1 429 120 120 TYR CA C 54.970 0.05 1 430 120 120 TYR CB C 37.780 0.05 1 431 120 120 TYR N N 117.490 0.05 1 432 123 123 GLU H H 7.640 0.005 1 433 123 123 GLU CA C 58.810 0.05 1 434 123 123 GLU CB C 27.430 0.05 1 435 123 123 GLU N N 125.740 0.05 1 436 124 124 GLU H H 8.630 0.005 1 437 124 124 GLU CA C 57.810 0.05 1 438 124 124 GLU CB C 28.220 0.05 1 439 124 124 GLU N N 119.520 0.05 1 440 125 125 LYS H H 6.510 0.005 1 441 125 125 LYS CA C 55.270 0.05 1 442 125 125 LYS CB C 32.260 0.05 1 443 125 125 LYS N N 114.530 0.05 1 444 126 126 ASN H H 7.930 0.005 1 445 126 126 ASN CA C 51.880 0.05 1 446 126 126 ASN CB C 36.230 0.05 1 447 126 126 ASN N N 121.520 0.05 1 448 127 127 ASP H H 8.400 0.005 1 449 127 127 ASP CA C 51.970 0.05 1 450 127 127 ASP CB C 42.570 0.05 1 451 127 127 ASP N N 120.480 0.05 1 452 129 129 GLU H H 8.210 0.005 1 453 129 129 GLU CA C 58.400 0.05 1 454 129 129 GLU CB C 28.210 0.05 1 455 129 129 GLU N N 116.730 0.05 1 456 130 130 LEU H H 7.180 0.005 1 457 130 130 LEU CA C 55.970 0.05 1 458 130 130 LEU CB C 40.110 0.05 1 459 130 130 LEU N N 122.930 0.05 1 460 131 131 ALA H H 7.720 0.005 1 461 131 131 ALA CA C 55.320 0.05 1 462 131 131 ALA CB C 17.080 0.05 1 463 131 131 ALA N N 120.370 0.05 1 464 132 132 LYS H H 7.840 0.005 1 465 132 132 LYS CA C 58.610 0.05 1 466 132 132 LYS CB C 31.500 0.05 1 467 132 132 LYS N N 116.800 0.05 1 468 133 133 ALA H H 7.020 0.005 1 469 133 133 ALA CA C 54.320 0.05 1 470 133 133 ALA CB C 16.880 0.05 1 471 133 133 ALA N N 123.590 0.05 1 472 134 134 PHE H H 8.010 0.005 1 473 134 134 PHE CA C 56.860 0.05 1 474 134 134 PHE CB C 37.590 0.05 1 475 134 134 PHE N N 117.970 0.05 1 476 135 135 ALA H H 7.810 0.005 1 477 135 135 ALA CA C 53.970 0.05 1 478 135 135 ALA CB C 18.430 0.05 1 479 135 135 ALA N N 119.290 0.05 1 480 136 136 GLU H H 7.570 0.005 1 481 136 136 GLU CA C 57.510 0.05 1 482 136 136 GLU CB C 29.240 0.05 1 483 136 136 GLU N N 115.770 0.05 1 484 137 137 LEU H H 7.550 0.005 1 485 137 137 LEU CA C 54.860 0.05 1 486 137 137 LEU CB C 42.050 0.05 1 487 137 137 LEU N N 117.370 0.05 1 488 138 138 ALA H H 7.420 0.005 1 489 138 138 ALA CA C 50.230 0.05 1 490 138 138 ALA CB C 24.450 0.05 1 491 138 138 ALA N N 115.770 0.05 1 492 139 139 ASP H H 9.070 0.005 1 493 139 139 ASP CA C 54.650 0.05 1 494 139 139 ASP CB C 44.510 0.05 1 495 139 139 ASP N N 113.830 0.05 1 496 140 140 LEU H H 7.870 0.005 1 497 140 140 LEU CA C 54.510 0.05 1 498 140 140 LEU CB C 45.680 0.05 1 499 140 140 LEU N N 121.160 0.05 1 500 141 141 TYR H H 9.020 0.005 1 501 141 141 TYR CA C 55.090 0.05 1 502 141 141 TYR CB C 40.240 0.05 1 503 141 141 TYR N N 127.130 0.05 1 504 142 142 VAL H H 8.780 0.005 1 505 142 142 VAL CA C 58.060 0.05 1 506 142 142 VAL CB C 33.640 0.05 1 507 142 142 VAL N N 128.310 0.05 1 508 143 143 ASN H H 8.230 0.005 1 509 143 143 ASN CA C 50.760 0.05 1 510 143 143 ASN CB C 38.620 0.05 1 511 143 143 ASN N N 123.840 0.05 1 512 144 144 ASP H H 9.210 0.005 1 513 144 144 ASP CA C 52.210 0.05 1 514 144 144 ASP CB C 43.610 0.05 1 515 144 144 ASP N N 129.190 0.05 1 516 145 145 ALA H H 8.180 0.005 1 517 145 145 ALA CA C 48.890 0.05 1 518 145 145 ALA CB C 18.050 0.05 1 519 145 145 ALA N N 125.780 0.05 1 520 146 146 PHE H H 9.440 0.005 1 521 146 146 PHE CA C 62.020 0.05 1 522 146 146 PHE CB C 39.010 0.05 1 523 146 146 PHE N N 129.170 0.05 1 524 147 147 GLY H H 9.080 0.005 1 525 147 147 GLY CA C 45.690 0.05 1 526 147 147 GLY N N 101.000 0.05 1 527 148 148 ALA H H 7.450 0.005 1 528 148 148 ALA CA C 50.230 0.05 1 529 148 148 ALA CB C 19.400 0.05 1 530 148 148 ALA N N 120.530 0.05 1 531 149 149 ALA H H 7.710 0.005 1 532 149 149 ALA CA C 53.120 0.05 1 533 149 149 ALA CB C 18.110 0.05 1 534 149 149 ALA N N 121.340 0.05 1 535 150 150 HIS H H 10.200 0.005 1 536 150 150 HIS CA C 56.390 0.05 1 537 150 150 HIS CB C 28.920 0.05 1 538 150 150 HIS N N 118.820 0.05 1 539 151 151 ARG H H 6.780 0.005 1 540 151 151 ARG CA C 51.900 0.05 1 541 151 151 ARG CB C 29.950 0.05 1 542 151 151 ARG N N 122.080 0.05 1 543 152 152 ALA H H 8.530 0.005 1 544 152 152 ALA CA C 50.650 0.05 1 545 152 152 ALA CB C 16.360 0.05 1 546 152 152 ALA N N 126.270 0.05 1 547 153 153 HIS H H 7.270 0.005 1 548 153 153 HIS CA C 51.190 0.05 1 549 153 153 HIS CB C 34.940 0.05 1 550 153 153 HIS N N 125.440 0.05 1 551 154 154 ALA H H 9.200 0.005 1 552 154 154 ALA CA C 57.290 0.05 1 553 154 154 ALA CB C 16.430 0.05 1 554 154 154 ALA N N 129.750 0.05 1 555 155 155 SER H H 10.330 0.005 1 556 155 155 SER CA C 60.690 0.05 1 557 155 155 SER CB C 63.080 0.05 1 558 155 155 SER N N 110.980 0.05 1 559 156 156 THR H H 7.240 0.005 1 560 156 156 THR CA C 61.380 0.05 1 561 156 156 THR CB C 70.790 0.05 1 562 156 156 THR N N 111.840 0.05 1 563 157 157 GLU H H 7.850 0.005 1 564 157 157 GLU CA C 60.570 0.05 1 565 157 157 GLU CB C 31.180 0.05 1 566 157 157 GLU N N 122.780 0.05 1 567 158 158 GLY H H 7.960 0.005 1 568 158 158 GLY CA C 49.200 0.05 1 569 158 158 GLY N N 110.060 0.05 1 570 159 159 ILE H H 8.360 0.005 1 571 159 159 ILE CA C 63.310 0.05 1 572 159 159 ILE CB C 36.940 0.05 1 573 159 159 ILE N N 120.440 0.05 1 574 160 160 ALA H H 6.650 0.005 1 575 160 160 ALA CA C 52.440 0.05 1 576 160 160 ALA CB C 17.920 0.05 1 577 160 160 ALA N N 123.130 0.05 1 578 161 161 HIS H H 7.420 0.005 1 579 161 161 HIS CA C 55.970 0.05 1 580 161 161 HIS CB C 27.690 0.05 1 581 161 161 HIS N N 113.920 0.05 1 582 162 162 TYR H H 7.670 0.005 1 583 162 162 TYR CA C 58.270 0.05 1 584 162 162 TYR CB C 40.820 0.05 1 585 162 162 TYR N N 117.600 0.05 1 586 163 163 LEU H H 7.170 0.005 1 587 163 163 LEU CA C 51.350 0.05 1 588 163 163 LEU CB C 45.290 0.05 1 589 163 163 LEU N N 120.620 0.05 1 590 165 165 ALA H H 7.610 0.005 1 591 165 165 ALA CA C 50.580 0.05 1 592 165 165 ALA CB C 22.700 0.05 1 593 165 165 ALA N N 127.750 0.05 1 594 166 166 VAL H H 8.670 0.005 1 595 166 166 VAL CA C 57.470 0.05 1 596 166 166 VAL CB C 34.480 0.05 1 597 166 166 VAL N N 114.430 0.05 1 598 167 167 ALA H H 8.990 0.005 1 599 167 167 ALA CA C 50.800 0.05 1 600 167 167 ALA CB C 19.400 0.05 1 601 167 167 ALA N N 122.770 0.05 1 602 168 168 GLY H H 7.120 0.005 1 603 168 168 GLY CA C 43.090 0.05 1 604 168 168 GLY N N 104.870 0.05 1 605 169 169 PHE H H 6.920 0.005 1 606 169 169 PHE CA C 58.020 0.05 1 607 169 169 PHE CB C 37.530 0.05 1 608 169 169 PHE N N 114.700 0.05 1 609 170 170 LEU H H 10.240 0.005 1 610 170 170 LEU CA C 57.950 0.05 1 611 170 170 LEU CB C 41.020 0.05 1 612 170 170 LEU N N 128.940 0.05 1 613 171 171 MET H H 8.550 0.005 1 614 171 171 MET CA C 57.590 0.05 1 615 171 171 MET CB C 32.670 0.05 1 616 171 171 MET N N 121.530 0.05 1 617 172 172 GLU H H 8.450 0.005 1 618 172 172 GLU CA C 59.140 0.05 1 619 172 172 GLU CB C 29.370 0.05 1 620 172 172 GLU N N 117.560 0.05 1 621 173 173 LYS H H 7.260 0.005 1 622 173 173 LYS CA C 58.590 0.05 1 623 173 173 LYS CB C 31.310 0.05 1 624 173 173 LYS N N 119.230 0.05 1 625 174 174 GLU H H 7.530 0.005 1 626 174 174 GLU CA C 58.610 0.05 1 627 174 174 GLU CB C 26.910 0.05 1 628 174 174 GLU N N 116.600 0.05 1 629 175 175 LEU H H 7.650 0.005 1 630 175 175 LEU CA C 56.940 0.05 1 631 175 175 LEU CB C 40.240 0.05 1 632 175 175 LEU N N 115.140 0.05 1 633 176 176 GLU H H 8.500 0.005 1 634 176 176 GLU CA C 58.830 0.05 1 635 176 176 GLU CB C 29.310 0.05 1 636 176 176 GLU N N 121.380 0.05 1 637 177 177 VAL H H 8.050 0.005 1 638 177 177 VAL CA C 65.950 0.05 1 639 177 177 VAL CB C 31.310 0.05 1 640 177 177 VAL N N 119.660 0.05 1 641 178 178 LEU H H 8.170 0.005 1 642 178 178 LEU CA C 57.480 0.05 1 643 178 178 LEU CB C 39.720 0.05 1 644 178 178 LEU N N 118.290 0.05 1 645 179 179 GLY H H 7.440 0.005 1 646 179 179 GLY CA C 46.670 0.05 1 647 179 179 GLY N N 105.050 0.05 1 648 180 180 LYS H H 7.470 0.005 1 649 180 180 LYS CA C 59.270 0.05 1 650 180 180 LYS CB C 30.860 0.05 1 651 180 180 LYS N N 124.330 0.05 1 652 181 181 ALA H H 7.350 0.005 1 653 181 181 ALA CA C 54.280 0.05 1 654 181 181 ALA CB C 16.300 0.05 1 655 181 181 ALA N N 120.330 0.05 1 656 182 182 LEU H H 6.920 0.005 1 657 182 182 LEU CA C 54.940 0.05 1 658 182 182 LEU CB C 41.470 0.05 1 659 182 182 LEU N N 108.250 0.05 1 660 183 183 SER H H 7.920 0.005 1 661 183 183 SER CA C 59.360 0.05 1 662 183 183 SER CB C 64.190 0.05 1 663 183 183 SER N N 113.590 0.05 1 664 184 184 ASN H H 8.630 0.005 1 665 184 184 ASN CA C 51.680 0.05 1 666 184 184 ASN CB C 38.490 0.05 1 667 184 184 ASN N N 121.280 0.05 1 668 186 186 ASP H H 6.570 0.005 1 669 186 186 ASP CA C 54.200 0.05 1 670 186 186 ASP CB C 41.540 0.05 1 671 186 186 ASP N N 120.650 0.05 1 672 187 187 ARG H H 7.750 0.005 1 673 187 187 ARG CB C 30.920 0.05 1 674 187 187 ARG N N 116.220 0.05 1 675 189 189 PHE H H 11.030 0.005 1 676 189 189 PHE CA C 53.000 0.05 1 677 189 189 PHE CB C 38.750 0.05 1 678 189 189 PHE N N 131.720 0.05 1 679 190 190 THR H H 9.640 0.005 1 680 190 190 THR CA C 60.470 0.05 1 681 190 190 THR CB C 70.980 0.05 1 682 190 190 THR N N 131.270 0.05 1 683 191 191 ALA H H 8.090 0.005 1 684 191 191 ALA CA C 49.010 0.05 1 685 191 191 ALA CB C 21.930 0.05 1 686 191 191 ALA N N 127.160 0.05 1 687 192 192 ILE H H 9.220 0.005 1 688 192 192 ILE CA C 59.380 0.05 1 689 192 192 ILE CB C 37.650 0.05 1 690 192 192 ILE N N 123.710 0.05 1 691 193 193 ILE H H 9.090 0.005 1 692 193 193 ILE CA C 57.160 0.05 1 693 193 193 ILE CB C 36.940 0.05 1 694 193 193 ILE N N 129.100 0.05 1 695 197 197 LYS H H 8.290 0.005 1 696 197 197 LYS C C 177.000 0.05 1 697 197 197 LYS CA C 54.500 0.05 1 698 197 197 LYS N N 114.280 0.05 1 699 198 198 VAL H H 10.080 0.005 1 700 198 198 VAL C C 179.390 0.05 1 701 198 198 VAL CA C 65.530 0.05 1 702 198 198 VAL CB C 31.000 0.05 1 703 198 198 VAL N N 127.920 0.05 1 704 199 199 LYS H H 9.140 0.005 1 705 199 199 LYS C C 176.910 0.05 1 706 199 199 LYS CA C 59.170 0.05 1 707 199 199 LYS CB C 31.250 0.05 1 708 199 199 LYS N N 118.230 0.05 1 709 200 200 ASP H H 6.930 0.005 1 710 200 200 ASP CA C 55.700 0.05 1 711 200 200 ASP CB C 40.630 0.05 1 712 200 200 ASP N N 116.300 0.05 1 713 201 201 LYS H H 7.750 0.005 1 714 201 201 LYS CA C 53.520 0.05 1 715 201 201 LYS CB C 32.220 0.05 1 716 201 201 LYS N N 116.160 0.05 1 717 202 202 ILE H H 7.340 0.005 1 718 202 202 ILE CA C 65.620 0.05 1 719 202 202 ILE CB C 37.650 0.05 1 720 202 202 ILE N N 120.000 0.05 1 721 203 203 GLY H H 8.370 0.005 1 722 203 203 GLY CA C 46.690 0.05 1 723 203 203 GLY N N 108.190 0.05 1 724 204 204 VAL H H 7.950 0.005 1 725 204 204 VAL CA C 65.650 0.05 1 726 204 204 VAL CB C 31.050 0.05 1 727 204 204 VAL N N 124.160 0.05 1 728 205 205 ILE H H 8.070 0.005 1 729 205 205 ILE CA C 66.300 0.05 1 730 205 205 ILE CB C 36.940 0.05 1 731 205 205 ILE N N 120.860 0.05 1 732 206 206 ASP H H 8.060 0.005 1 733 206 206 ASP CA C 57.610 0.05 1 734 206 206 ASP CB C 41.860 0.05 1 735 206 206 ASP N N 117.260 0.05 1 736 207 207 ASN H H 7.600 0.005 1 737 207 207 ASN CA C 55.970 0.05 1 738 207 207 ASN CB C 39.530 0.05 1 739 207 207 ASN N N 113.530 0.05 1 740 208 208 LEU H H 8.530 0.005 1 741 208 208 LEU CA C 57.160 0.05 1 742 208 208 LEU CB C 39.010 0.05 1 743 208 208 LEU N N 116.550 0.05 1 744 209 209 LEU H H 8.310 0.005 1 745 209 209 LEU CA C 57.920 0.05 1 746 209 209 LEU CB C 41.600 0.05 1 747 209 209 LEU N N 122.220 0.05 1 748 210 210 GLU H H 7.130 0.005 1 749 210 210 GLU CA C 56.390 0.05 1 750 210 210 GLU CB C 29.370 0.05 1 751 210 210 GLU N N 112.450 0.05 1 752 211 211 LYS H H 7.830 0.005 1 753 211 211 LYS CA C 56.160 0.05 1 754 211 211 LYS CB C 36.490 0.05 1 755 211 211 LYS N N 116.550 0.05 1 756 212 212 VAL H H 7.600 0.005 1 757 212 212 VAL CA C 60.920 0.05 1 758 212 212 VAL CB C 32.090 0.05 1 759 212 212 VAL N N 111.010 0.05 1 760 213 213 ASP H H 9.210 0.005 1 761 213 213 ASP CA C 56.930 0.05 1 762 213 213 ASP CB C 43.480 0.05 1 763 213 213 ASP N N 116.630 0.05 1 764 214 214 ASN H H 7.690 0.005 1 765 214 214 ASN CA C 51.200 0.05 1 766 214 214 ASN CB C 42.440 0.05 1 767 214 214 ASN N N 114.520 0.05 1 768 215 215 LEU H H 9.120 0.005 1 769 215 215 LEU CA C 53.320 0.05 1 770 215 215 LEU CB C 44.380 0.05 1 771 215 215 LEU N N 126.380 0.05 1 772 216 216 ILE H H 8.930 0.005 1 773 216 216 ILE CA C 59.480 0.05 1 774 216 216 ILE CB C 38.240 0.05 1 775 216 216 ILE N N 127.070 0.05 1 776 217 217 ILE H H 7.900 0.005 1 777 217 217 ILE C C 176.740 0.05 1 778 217 217 ILE CA C 56.940 0.05 1 779 217 217 ILE CB C 39.800 0.05 1 780 217 217 ILE N N 121.660 0.05 1 781 218 218 GLY H H 8.340 0.005 1 782 218 218 GLY C C 171.930 0.05 1 783 218 218 GLY CA C 43.940 0.05 1 784 218 218 GLY N N 111.660 0.05 1 785 219 219 GLY H H 6.900 0.005 1 786 219 219 GLY CA C 46.330 0.05 1 787 219 219 GLY N N 106.720 0.05 1 788 223 223 TYR H H 7.000 0.005 1 789 223 223 TYR CA C 62.340 0.05 1 790 223 223 TYR CB C 34.740 0.05 1 791 223 223 TYR N N 116.080 0.05 1 792 224 224 THR H H 7.490 0.005 1 793 224 224 THR CA C 67.220 0.05 1 794 224 224 THR CB C 68.330 0.05 1 795 224 224 THR N N 119.790 0.05 1 796 225 225 PHE H H 7.010 0.005 1 797 225 225 PHE CA C 61.460 0.05 1 798 225 225 PHE CB C 37.910 0.05 1 799 225 225 PHE N N 120.430 0.05 1 800 226 226 VAL H H 8.240 0.005 1 801 226 226 VAL CA C 66.740 0.05 1 802 226 226 VAL CB C 31.570 0.05 1 803 226 226 VAL N N 119.830 0.05 1 804 227 227 LYS H H 8.020 0.005 1 805 227 227 LYS CA C 56.830 0.05 1 806 227 227 LYS CB C 31.700 0.05 1 807 227 227 LYS N N 121.650 0.05 1 808 228 228 ALA H H 7.750 0.005 1 809 228 228 ALA CA C 54.210 0.05 1 810 228 228 ALA CB C 17.660 0.05 1 811 228 228 ALA N N 123.840 0.05 1 812 229 229 LEU H H 7.430 0.005 1 813 229 229 LEU CA C 54.950 0.05 1 814 229 229 LEU CB C 41.410 0.05 1 815 229 229 LEU N N 117.740 0.05 1 816 230 230 GLY H H 7.860 0.005 1 817 230 230 GLY CA C 44.260 0.05 1 818 230 230 GLY N N 106.170 0.05 1 819 231 231 HIS H H 7.010 0.005 1 820 231 231 HIS CA C 54.200 0.05 1 821 231 231 HIS CB C 30.540 0.05 1 822 231 231 HIS N N 121.070 0.05 1 823 232 232 ASP H H 8.550 0.005 1 824 232 232 ASP CA C 54.390 0.05 1 825 232 232 ASP CB C 41.800 0.05 1 826 232 232 ASP N N 121.300 0.05 1 827 233 233 VAL H H 8.140 0.005 1 828 233 233 VAL CA C 58.950 0.05 1 829 233 233 VAL CB C 30.860 0.05 1 830 233 233 VAL N N 110.560 0.05 1 831 234 234 GLY H H 8.560 0.005 1 832 234 234 GLY CA C 48.120 0.05 1 833 234 234 GLY N N 117.670 0.05 1 834 235 235 LYS H H 8.760 0.005 1 835 235 235 LYS CA C 54.730 0.05 1 836 235 235 LYS CB C 30.410 0.05 1 837 235 235 LYS N N 127.650 0.05 1 838 236 236 SER H H 7.860 0.005 1 839 236 236 SER CA C 58.720 0.05 1 840 236 236 SER CB C 62.830 0.05 1 841 236 236 SER N N 116.140 0.05 1 842 237 237 LEU H H 8.320 0.005 1 843 237 237 LEU CA C 56.610 0.05 1 844 237 237 LEU CB C 40.890 0.05 1 845 237 237 LEU N N 124.370 0.05 1 846 238 238 LEU H H 7.600 0.005 1 847 238 238 LEU CA C 54.170 0.05 1 848 238 238 LEU CB C 44.120 0.05 1 849 238 238 LEU N N 121.460 0.05 1 850 239 239 GLU H H 7.680 0.005 1 851 239 239 GLU CA C 54.210 0.05 1 852 239 239 GLU CB C 29.310 0.05 1 853 239 239 GLU N N 126.400 0.05 1 854 240 240 GLU H H 9.030 0.005 1 855 240 240 GLU CA C 59.500 0.05 1 856 240 240 GLU CB C 28.980 0.05 1 857 240 240 GLU N N 125.750 0.05 1 858 241 241 ASP H H 8.830 0.005 1 859 241 241 ASP CA C 54.190 0.05 1 860 241 241 ASP CB C 39.010 0.05 1 861 241 241 ASP N N 116.150 0.05 1 862 242 242 LYS H H 7.850 0.005 1 863 242 242 LYS CA C 53.730 0.05 1 864 242 242 LYS CB C 31.760 0.05 1 865 242 242 LYS N N 118.570 0.05 1 866 243 243 ILE H H 7.200 0.005 1 867 243 243 ILE CA C 65.280 0.05 1 868 243 243 ILE CB C 36.810 0.05 1 869 243 243 ILE N N 123.470 0.05 1 870 244 244 GLU H H 8.310 0.005 1 871 244 244 GLU CA C 58.950 0.05 1 872 244 244 GLU CB C 27.620 0.05 1 873 244 244 GLU N N 119.070 0.05 1 874 245 245 LEU H H 7.490 0.005 1 875 245 245 LEU CA C 56.730 0.05 1 876 245 245 LEU CB C 40.240 0.05 1 877 245 245 LEU N N 123.490 0.05 1 878 246 246 ALA H H 8.040 0.005 1 879 246 246 ALA CA C 55.210 0.05 1 880 246 246 ALA CB C 15.200 0.05 1 881 246 246 ALA N N 122.950 0.05 1 882 247 247 LYS H H 7.860 0.005 1 883 247 247 LYS CA C 59.890 0.05 1 884 247 247 LYS CB C 31.440 0.05 1 885 247 247 LYS N N 117.820 0.05 1 886 248 248 SER H H 8.010 0.005 1 887 248 248 SER CA C 61.330 0.05 1 888 248 248 SER CB C 62.310 0.05 1 889 248 248 SER N N 117.370 0.05 1 890 249 249 PHE H H 8.450 0.005 1 891 249 249 PHE CA C 58.810 0.05 1 892 249 249 PHE CB C 37.520 0.05 1 893 249 249 PHE N N 123.400 0.05 1 894 250 250 MET H H 7.830 0.005 1 895 250 250 MET CA C 60.010 0.05 1 896 250 250 MET CB C 32.010 0.05 1 897 250 250 MET N N 119.080 0.05 1 898 251 251 GLU H H 8.090 0.005 1 899 251 251 GLU CA C 58.810 0.05 1 900 251 251 GLU CB C 28.590 0.05 1 901 251 251 GLU N N 121.610 0.05 1 902 252 252 LYS H H 8.450 0.005 1 903 252 252 LYS CA C 59.020 0.05 1 904 252 252 LYS CB C 31.310 0.05 1 905 252 252 LYS N N 123.310 0.05 1 906 253 253 ALA H H 8.200 0.005 1 907 253 253 ALA CA C 55.290 0.05 1 908 253 253 ALA CB C 16.560 0.05 1 909 253 253 ALA N N 120.440 0.05 1 910 254 254 LYS H H 7.290 0.005 1 911 254 254 LYS CA C 59.040 0.05 1 912 254 254 LYS CB C 31.310 0.05 1 913 254 254 LYS N N 117.990 0.05 1 914 255 255 GLU H H 8.190 0.005 1 915 255 255 GLU CA C 58.820 0.05 1 916 255 255 GLU CB C 29.110 0.05 1 917 255 255 GLU N N 121.900 0.05 1 918 256 256 LYS H H 8.010 0.005 1 919 256 256 LYS CA C 55.190 0.05 1 920 256 256 LYS CB C 32.280 0.05 1 921 256 256 LYS N N 116.570 0.05 1 922 257 257 GLY H H 7.770 0.005 1 923 257 257 GLY CA C 45.730 0.05 1 924 257 257 GLY N N 109.410 0.05 1 925 258 258 VAL H H 8.260 0.005 1 926 258 258 VAL CA C 61.560 0.05 1 927 258 258 VAL CB C 32.990 0.05 1 928 258 258 VAL N N 123.770 0.05 1 929 259 259 ARG H H 7.900 0.005 1 930 259 259 ARG CA C 56.500 0.05 1 931 259 259 ARG CB C 28.850 0.05 1 932 259 259 ARG N N 129.060 0.05 1 933 260 260 PHE H H 8.050 0.005 1 934 260 260 PHE CA C 56.050 0.05 1 935 260 260 PHE CB C 41.670 0.05 1 936 260 260 PHE N N 129.830 0.05 1 937 261 261 TYR H H 8.920 0.005 1 938 261 261 TYR CA C 57.500 0.05 1 939 261 261 TYR CB C 40.570 0.05 1 940 261 261 TYR N N 128.380 0.05 1 941 262 262 MET H H 7.880 0.005 1 942 262 262 MET CA C 52.760 0.05 1 943 262 262 MET CB C 34.090 0.05 1 944 262 262 MET N N 119.670 0.05 1 945 264 264 VAL H H 7.960 0.005 1 946 264 264 VAL CA C 60.150 0.05 1 947 264 264 VAL CB C 31.510 0.05 1 948 264 264 VAL N N 113.380 0.05 1 949 266 266 VAL H H 9.040 0.005 1 950 266 266 VAL CA C 59.370 0.05 1 951 266 266 VAL CB C 36.230 0.05 1 952 266 266 VAL N N 114.310 0.05 1 953 267 267 VAL H H 8.350 0.005 1 954 267 267 VAL CA C 61.480 0.05 1 955 267 267 VAL CB C 31.760 0.05 1 956 267 267 VAL N N 122.450 0.05 1 957 268 268 VAL H H 9.270 0.005 1 958 268 268 VAL CA C 56.930 0.05 1 959 268 268 VAL CB C 33.320 0.05 1 960 268 268 VAL N N 119.900 0.05 1 961 269 269 ALA H H 8.940 0.005 1 962 269 269 ALA CA C 49.660 0.05 1 963 269 269 ALA CB C 24.770 0.05 1 964 269 269 ALA N N 123.630 0.05 1 965 270 270 ASP H H 8.520 0.005 1 966 270 270 ASP CA C 53.960 0.05 1 967 270 270 ASP CB C 38.750 0.05 1 968 270 270 ASP N N 122.050 0.05 1 969 271 271 ARG H H 7.410 0.005 1 970 271 271 ARG CA C 54.170 0.05 1 971 271 271 ARG CB C 32.350 0.05 1 972 271 271 ARG N N 118.100 0.05 1 973 273 273 ALA H H 7.490 0.005 1 974 273 273 ALA CA C 51.650 0.05 1 975 273 273 ALA CB C 21.670 0.05 1 976 273 273 ALA N N 125.120 0.05 1 977 275 275 ASP H H 8.160 0.005 1 978 275 275 ASP CA C 51.760 0.05 1 979 275 275 ASP CB C 38.690 0.05 1 980 275 275 ASP N N 115.230 0.05 1 981 276 276 ALA H H 6.940 0.005 1 982 276 276 ALA CA C 51.860 0.05 1 983 276 276 ALA CB C 20.700 0.05 1 984 276 276 ALA N N 120.600 0.05 1 985 277 277 ASN H H 8.710 0.005 1 986 277 277 ASN CA C 54.060 0.05 1 987 277 277 ASN CB C 38.620 0.05 1 988 277 277 ASN N N 120.900 0.05 1 989 278 278 THR H H 8.160 0.005 1 990 278 278 THR CA C 58.920 0.05 1 991 278 278 THR CB C 72.530 0.05 1 992 278 278 THR N N 113.830 0.05 1 993 279 279 LYS H H 8.610 0.005 1 994 279 279 LYS CA C 54.840 0.05 1 995 279 279 LYS CB C 35.580 0.05 1 996 279 279 LYS N N 118.230 0.05 1 997 280 280 VAL H H 8.320 0.005 1 998 280 280 VAL CA C 61.250 0.05 1 999 280 280 VAL CB C 31.570 0.05 1 1000 280 280 VAL N N 122.720 0.05 1 1001 281 281 VAL H H 8.700 0.005 1 1002 281 281 VAL CA C 56.620 0.05 1 1003 281 281 VAL CB C 33.060 0.05 1 1004 281 281 VAL N N 120.500 0.05 1 1005 283 283 ILE H H 6.960 0.005 1 1006 283 283 ILE CA C 60.920 0.05 1 1007 283 283 ILE CB C 38.760 0.05 1 1008 283 283 ILE N N 116.390 0.05 1 1009 284 284 ASP H H 7.630 0.005 1 1010 284 284 ASP CA C 52.210 0.05 1 1011 284 284 ASP CB C 39.140 0.05 1 1012 284 284 ASP N N 115.810 0.05 1 1013 285 285 ALA H H 7.700 0.005 1 1014 285 285 ALA CA C 50.200 0.05 1 1015 285 285 ALA CB C 18.760 0.05 1 1016 285 285 ALA N N 125.770 0.05 1 1017 286 286 ILE H H 8.710 0.005 1 1018 286 286 ILE CA C 61.010 0.05 1 1019 286 286 ILE CB C 36.880 0.05 1 1020 286 286 ILE N N 124.600 0.05 1 1021 288 288 ALA H H 8.100 0.005 1 1022 288 288 ALA C C 178.220 0.05 1 1023 288 288 ALA CA C 54.430 0.05 1 1024 288 288 ALA CB C 18.360 0.05 1 1025 288 288 ALA N N 122.700 0.05 1 1026 289 289 ASP H H 8.640 0.005 1 1027 289 289 ASP CA C 53.310 0.05 1 1028 289 289 ASP CB C 39.140 0.05 1 1029 289 289 ASP N N 111.330 0.05 1 1030 290 290 TYR H H 7.840 0.005 1 1031 290 290 TYR CA C 56.380 0.05 1 1032 290 290 TYR CB C 40.700 0.05 1 1033 290 290 TYR N N 121.180 0.05 1 1034 291 291 SER H H 8.640 0.005 1 1035 291 291 SER CA C 56.280 0.05 1 1036 291 291 SER CB C 64.900 0.05 1 1037 291 291 SER N N 113.250 0.05 1 1038 292 292 ALA H H 8.610 0.005 1 1039 292 292 ALA CA C 51.680 0.05 1 1040 292 292 ALA CB C 16.560 0.05 1 1041 292 292 ALA N N 128.550 0.05 1 1042 293 293 LEU H H 8.050 0.005 1 1043 293 293 LEU CA C 54.610 0.05 1 1044 293 293 LEU CB C 42.310 0.05 1 1045 293 293 LEU N N 125.830 0.05 1 1046 294 294 ASP H H 7.900 0.005 1 1047 294 294 ASP CA C 53.300 0.05 1 1048 294 294 ASP CB C 42.960 0.05 1 1049 294 294 ASP N N 114.010 0.05 1 1050 295 295 ILE H H 8.660 0.005 1 1051 295 295 ILE CA C 61.470 0.05 1 1052 295 295 ILE CB C 38.170 0.05 1 1053 295 295 ILE N N 116.000 0.05 1 1054 296 296 GLY H H 8.030 0.005 1 1055 296 296 GLY CA C 44.930 0.05 1 1056 296 296 GLY N N 111.910 0.05 1 1057 298 298 LYS H H 10.360 0.005 1 1058 298 298 LYS CA C 58.900 0.05 1 1059 298 298 LYS CB C 30.340 0.05 1 1060 298 298 LYS N N 124.280 0.05 1 1061 299 299 THR H H 9.170 0.005 1 1062 299 299 THR CA C 67.080 0.05 1 1063 299 299 THR CB C 67.690 0.05 1 1064 299 299 THR N N 121.610 0.05 1 1065 300 300 ARG H H 7.830 0.005 1 1066 300 300 ARG CA C 59.790 0.05 1 1067 300 300 ARG CB C 30.340 0.05 1 1068 300 300 ARG N N 119.780 0.05 1 1069 301 301 GLU H H 7.160 0.005 1 1070 301 301 GLU CA C 59.150 0.05 1 1071 301 301 GLU CB C 28.980 0.05 1 1072 301 301 GLU N N 118.860 0.05 1 1073 302 302 LEU H H 7.640 0.005 1 1074 302 302 LEU C C 178.750 0.05 1 1075 302 302 LEU CA C 57.400 0.05 1 1076 302 302 LEU CB C 41.340 0.05 1 1077 302 302 LEU N N 121.980 0.05 1 1078 303 303 TYR H H 8.680 0.005 1 1079 303 303 TYR C C 178.170 0.05 1 1080 303 303 TYR CA C 57.290 0.05 1 1081 303 303 TYR CB C 34.220 0.05 1 1082 303 303 TYR N N 117.900 0.05 1 1083 304 304 ARG H H 7.840 0.005 1 1084 304 304 ARG CA C 59.570 0.05 1 1085 304 304 ARG CB C 28.720 0.05 1 1086 304 304 ARG N N 120.290 0.05 1 1087 305 305 ASP H H 7.700 0.005 1 1088 305 305 ASP CA C 57.380 0.05 1 1089 305 305 ASP CB C 39.210 0.05 1 1090 305 305 ASP N N 120.870 0.05 1 1091 306 306 VAL H H 7.400 0.005 1 1092 306 306 VAL CA C 65.340 0.05 1 1093 306 306 VAL CB C 30.600 0.05 1 1094 306 306 VAL N N 120.730 0.05 1 1095 307 307 ILE H H 8.030 0.005 1 1096 307 307 ILE CA C 66.410 0.05 1 1097 307 307 ILE CB C 36.880 0.05 1 1098 307 307 ILE N N 123.510 0.05 1 1099 308 308 ARG H H 7.980 0.005 1 1100 308 308 ARG CA C 58.710 0.05 1 1101 308 308 ARG CB C 29.500 0.05 1 1102 308 308 ARG N N 116.440 0.05 1 1103 309 309 GLU H H 7.030 0.005 1 1104 309 309 GLU CA C 55.500 0.05 1 1105 309 309 GLU CB C 29.380 0.05 1 1106 309 309 GLU N N 117.290 0.05 1 1107 310 310 SER H H 7.700 0.005 1 1108 310 310 SER CA C 58.490 0.05 1 1109 310 310 SER CB C 63.990 0.05 1 1110 310 310 SER N N 115.590 0.05 1 1111 311 311 LYS H H 9.190 0.005 1 1112 311 311 LYS CA C 55.830 0.05 1 1113 311 311 LYS CB C 32.930 0.05 1 1114 311 311 LYS N N 124.660 0.05 1 1115 312 312 LEU H H 7.880 0.005 1 1116 312 312 LEU CA C 54.500 0.05 1 1117 312 312 LEU CB C 44.320 0.05 1 1118 312 312 LEU N N 125.410 0.05 1 1119 313 313 VAL H H 9.290 0.005 1 1120 313 313 VAL CA C 59.460 0.05 1 1121 313 313 VAL CB C 34.610 0.05 1 1122 313 313 VAL N N 128.030 0.05 1 1123 314 314 VAL H H 8.360 0.005 1 1124 314 314 VAL CA C 59.790 0.05 1 1125 314 314 VAL CB C 33.380 0.05 1 1126 314 314 VAL N N 125.550 0.05 1 1127 315 315 TRP H H 9.530 0.005 1 1128 315 315 TRP C C 173.930 0.05 1 1129 315 315 TRP CA C 52.760 0.05 1 1130 315 315 TRP CB C 31.250 0.05 1 1131 315 315 TRP N N 130.330 0.05 1 1132 316 316 ASN H H 8.940 0.005 1 1133 316 316 ASN CA C 54.170 0.05 1 1134 316 316 ASN N N 125.370 0.05 1 1135 319 319 MET H H 8.150 0.005 1 1136 319 319 MET C C 174.450 0.05 1 1137 319 319 MET CA C 55.160 0.05 1 1138 319 319 MET CB C 37.470 0.05 1 1139 319 319 MET N N 118.070 0.05 1 1140 320 320 GLY H H 7.570 0.005 1 1141 320 320 GLY C C 173.370 0.05 1 1142 320 320 GLY CA C 46.250 0.05 1 1143 320 320 GLY N N 108.610 0.05 1 1144 321 321 VAL H H 7.780 0.005 1 1145 321 321 VAL C C 174.570 0.05 1 1146 321 321 VAL CA C 60.350 0.05 1 1147 321 321 VAL CB C 28.460 0.05 1 1148 321 321 VAL N N 122.660 0.05 1 1149 322 322 PHE H H 8.360 0.005 1 1150 322 322 PHE CA C 58.690 0.05 1 1151 322 322 PHE CB C 37.850 0.05 1 1152 322 322 PHE N N 124.580 0.05 1 1153 323 323 GLU H H 9.240 0.005 1 1154 323 323 GLU CA C 58.820 0.05 1 1155 323 323 GLU CB C 27.880 0.05 1 1156 323 323 GLU N N 121.950 0.05 1 1157 324 324 MET H H 7.850 0.005 1 1158 324 324 MET CA C 54.200 0.05 1 1159 324 324 MET CB C 34.100 0.05 1 1160 324 324 MET N N 118.950 0.05 1 1161 325 325 ASP H H 8.390 0.005 1 1162 325 325 ASP CA C 57.610 0.05 1 1163 325 325 ASP CB C 40.050 0.05 1 1164 325 325 ASP N N 125.790 0.05 1 1165 326 326 ALA H H 8.800 0.005 1 1166 326 326 ALA CA C 53.640 0.05 1 1167 326 326 ALA CB C 16.880 0.05 1 1168 326 326 ALA N N 119.090 0.05 1 1169 327 327 PHE H H 7.540 0.005 1 1170 327 327 PHE CA C 54.880 0.05 1 1171 327 327 PHE CB C 37.330 0.05 1 1172 327 327 PHE N N 114.760 0.05 1 1173 328 328 ALA H H 7.040 0.005 1 1174 328 328 ALA CA C 52.530 0.05 1 1175 328 328 ALA CB C 19.660 0.05 1 1176 328 328 ALA N N 119.550 0.05 1 1177 329 329 HIS H H 7.170 0.005 1 1178 329 329 HIS C C 179.210 0.05 1 1179 329 329 HIS CA C 59.370 0.05 1 1180 329 329 HIS CB C 30.020 0.05 1 1181 329 329 HIS N N 118.340 0.05 1 1182 330 330 GLY H H 11.570 0.005 1 1183 330 330 GLY C C 174.950 0.05 1 1184 330 330 GLY CA C 46.810 0.05 1 1185 330 330 GLY N N 114.950 0.05 1 1186 331 331 THR H H 8.040 0.005 1 1187 331 331 THR C C 175.330 0.05 1 1188 331 331 THR N N 123.210 0.05 1 1189 332 332 LYS H H 8.290 0.005 1 1190 332 332 LYS C C 177.100 0.05 1 1191 332 332 LYS CA C 59.810 0.05 1 1192 332 332 LYS CB C 31.120 0.05 1 1193 332 332 LYS N N 124.870 0.05 1 1194 333 333 ALA H H 8.010 0.005 1 1195 333 333 ALA CA C 54.210 0.05 1 1196 333 333 ALA CB C 17.010 0.05 1 1197 333 333 ALA N N 119.090 0.05 1 1198 334 334 ILE H H 6.950 0.005 1 1199 334 334 ILE CA C 61.550 0.05 1 1200 334 334 ILE CB C 34.680 0.05 1 1201 334 334 ILE N N 118.860 0.05 1 1202 335 335 ALA H H 7.550 0.005 1 1203 335 335 ALA CA C 55.170 0.05 1 1204 335 335 ALA CB C 17.920 0.05 1 1205 335 335 ALA N N 122.420 0.05 1 1206 336 336 GLU H H 8.940 0.005 1 1207 336 336 GLU CA C 59.250 0.05 1 1208 336 336 GLU CB C 29.110 0.05 1 1209 336 336 GLU N N 117.870 0.05 1 1210 337 337 ALA H H 7.630 0.005 1 1211 337 337 ALA CA C 54.090 0.05 1 1212 337 337 ALA CB C 17.590 0.05 1 1213 337 337 ALA N N 121.070 0.05 1 1214 338 338 LEU H H 7.760 0.005 1 1215 338 338 LEU CA C 57.070 0.05 1 1216 338 338 LEU CB C 40.700 0.05 1 1217 338 338 LEU N N 117.190 0.05 1 1218 339 339 ALA H H 8.190 0.005 1 1219 339 339 ALA CA C 54.160 0.05 1 1220 339 339 ALA CB C 19.140 0.05 1 1221 339 339 ALA N N 121.900 0.05 1 1222 340 340 GLU H H 7.690 0.005 1 1223 340 340 GLU CA C 55.730 0.05 1 1224 340 340 GLU CB C 29.560 0.05 1 1225 340 340 GLU N N 115.320 0.05 1 1226 341 341 ALA H H 7.110 0.005 1 1227 341 341 ALA CA C 51.200 0.05 1 1228 341 341 ALA CB C 15.910 0.05 1 1229 341 341 ALA N N 125.990 0.05 1 1230 342 342 LEU H H 7.930 0.005 1 1231 342 342 LEU CA C 56.930 0.05 1 1232 342 342 LEU CB C 40.890 0.05 1 1233 342 342 LEU N N 124.290 0.05 1 1234 343 343 ASP H H 8.450 0.005 1 1235 343 343 ASP CA C 53.650 0.05 1 1236 343 343 ASP CB C 40.900 0.05 1 1237 343 343 ASP N N 118.620 0.05 1 1238 344 344 THR H H 7.390 0.005 1 1239 344 344 THR CA C 62.140 0.05 1 1240 344 344 THR CB C 69.820 0.05 1 1241 344 344 THR N N 119.000 0.05 1 1242 345 345 TYR H H 8.410 0.005 1 1243 345 345 TYR CA C 57.030 0.05 1 1244 345 345 TYR CB C 38.300 0.05 1 1245 345 345 TYR N N 133.490 0.05 1 1246 346 346 SER H H 9.770 0.005 1 1247 346 346 SER CA C 55.640 0.05 1 1248 346 346 SER CB C 65.800 0.05 1 1249 346 346 SER N N 124.320 0.05 1 1250 347 347 VAL H H 8.760 0.005 1 1251 347 347 VAL CA C 60.260 0.05 1 1252 347 347 VAL CB C 33.120 0.05 1 1253 347 347 VAL N N 124.060 0.05 1 1254 348 348 ILE H H 8.960 0.005 1 1255 348 348 ILE CA C 58.160 0.05 1 1256 348 348 ILE CB C 39.070 0.05 1 1257 348 348 ILE N N 128.050 0.05 1 1258 349 349 GLY H H 8.430 0.005 1 1259 349 349 GLY CA C 43.940 0.05 1 1260 349 349 GLY N N 111.640 0.05 1 1261 354 354 ALA H H 7.630 0.005 1 1262 354 354 ALA C C 179.430 0.05 1 1263 354 354 ALA CA C 54.740 0.05 1 1264 354 354 ALA CB C 17.150 0.05 1 1265 354 354 ALA N N 123.040 0.05 1 1266 355 355 ALA H H 7.540 0.005 1 1267 355 355 ALA C C 180.930 0.05 1 1268 355 355 ALA CA C 54.310 0.05 1 1269 355 355 ALA N N 120.870 0.05 1 1270 356 356 ALA H H 8.120 0.005 1 1271 356 356 ALA C C 177.320 0.05 1 1272 356 356 ALA CA C 54.430 0.05 1 1273 356 356 ALA CB C 15.790 0.05 1 1274 356 356 ALA N N 122.720 0.05 1 1275 357 357 VAL H H 7.300 0.005 1 1276 357 357 VAL CA C 66.850 0.05 1 1277 357 357 VAL CB C 30.410 0.05 1 1278 357 357 VAL N N 113.510 0.05 1 1279 358 358 GLU H H 7.640 0.005 1 1280 358 358 GLU CA C 58.470 0.05 1 1281 358 358 GLU CB C 28.660 0.05 1 1282 358 358 GLU N N 120.240 0.05 1 1283 359 359 LYS H H 8.140 0.005 1 1284 359 359 LYS CA C 58.700 0.05 1 1285 359 359 LYS CB C 30.930 0.05 1 1286 359 359 LYS N N 124.660 0.05 1 1287 360 360 PHE H H 7.420 0.005 1 1288 360 360 PHE CA C 54.990 0.05 1 1289 360 360 PHE CB C 38.110 0.05 1 1290 360 360 PHE N N 115.030 0.05 1 1291 361 361 GLY H H 8.030 0.005 1 1292 361 361 GLY CA C 46.270 0.05 1 1293 361 361 GLY N N 109.340 0.05 1 1294 362 362 LEU H H 7.470 0.005 1 1295 362 362 LEU CA C 53.420 0.05 1 1296 362 362 LEU CB C 43.870 0.05 1 1297 362 362 LEU N N 117.490 0.05 1 1298 363 363 ALA H H 8.130 0.005 1 1299 363 363 ALA CA C 55.870 0.05 1 1300 363 363 ALA CB C 17.790 0.05 1 1301 363 363 ALA N N 124.680 0.05 1 1302 364 364 ASP H H 8.420 0.005 1 1303 364 364 ASP CA C 54.720 0.05 1 1304 364 364 ASP CB C 39.140 0.05 1 1305 364 364 ASP N N 113.890 0.05 1 1306 365 365 LYS H H 7.410 0.005 1 1307 365 365 LYS CA C 54.530 0.05 1 1308 365 365 LYS CB C 32.020 0.05 1 1309 365 365 LYS N N 117.430 0.05 1 1310 366 366 MET H H 7.070 0.005 1 1311 366 366 MET CA C 51.770 0.05 1 1312 366 366 MET CB C 32.350 0.05 1 1313 366 366 MET N N 117.720 0.05 1 1314 367 367 ASP H H 8.530 0.005 1 1315 367 367 ASP CA C 58.130 0.05 1 1316 367 367 ASP CB C 39.980 0.05 1 1317 367 367 ASP N N 124.540 0.05 1 1318 368 368 HIS H H 8.220 0.005 1 1319 368 368 HIS CA C 56.950 0.05 1 1320 368 368 HIS CB C 34.220 0.05 1 1321 368 368 HIS N N 117.940 0.05 1 1322 369 369 ILE H H 8.050 0.005 1 1323 369 369 ILE CA C 59.580 0.05 1 1324 369 369 ILE CB C 36.680 0.05 1 1325 369 369 ILE N N 129.110 0.05 1 1326 370 370 SER H H 8.770 0.005 1 1327 370 370 SER CA C 57.720 0.05 1 1328 370 370 SER CB C 63.280 0.05 1 1329 370 370 SER N N 120.260 0.05 1 1330 371 371 THR H H 9.830 0.005 1 1331 371 371 THR CA C 62.000 0.05 1 1332 371 371 THR CB C 69.670 0.05 1 1333 371 371 THR N N 121.820 0.05 1 1334 372 372 GLY H H 7.890 0.005 1 1335 372 372 GLY CA C 46.390 0.05 1 1336 372 372 GLY N N 107.820 0.05 1 1337 375 375 ALA H H 7.670 0.005 1 1338 375 375 ALA C C 179.580 0.05 1 1339 375 375 ALA CA C 54.970 0.05 1 1340 375 375 ALA CB C 17.850 0.05 1 1341 375 375 ALA N N 123.620 0.05 1 1342 376 376 SER H H 7.080 0.005 1 1343 376 376 SER C C 175.800 0.05 1 1344 376 376 SER N N 112.270 0.05 1 1345 377 377 LEU H H 6.970 0.005 1 1346 377 377 LEU C C 178.920 0.05 1 1347 377 377 LEU CA C 57.610 0.05 1 1348 377 377 LEU CB C 39.850 0.05 1 1349 377 377 LEU N N 123.450 0.05 1 1350 378 378 GLU H H 7.870 0.005 1 1351 378 378 GLU CA C 60.010 0.05 1 1352 378 378 GLU CB C 28.010 0.05 1 1353 378 378 GLU N N 119.160 0.05 1 1354 379 379 PHE H H 8.340 0.005 1 1355 379 379 PHE CA C 61.260 0.05 1 1356 379 379 PHE CB C 39.010 0.05 1 1357 379 379 PHE N N 120.730 0.05 1 1358 380 380 MET H H 8.160 0.005 1 1359 380 380 MET CA C 58.250 0.05 1 1360 380 380 MET CB C 32.470 0.05 1 1361 380 380 MET N N 119.080 0.05 1 1362 381 381 GLU H H 7.830 0.005 1 1363 381 381 GLU CA C 56.720 0.05 1 1364 381 381 GLU CB C 29.700 0.05 1 1365 381 381 GLU N N 117.890 0.05 1 1366 382 382 GLY H H 7.840 0.005 1 1367 382 382 GLY CA C 44.280 0.05 1 1368 382 382 GLY N N 106.750 0.05 1 1369 383 383 LYS H H 7.190 0.005 1 1370 383 383 LYS CA C 56.060 0.05 1 1371 383 383 LYS CB C 32.150 0.05 1 1372 383 383 LYS N N 120.020 0.05 1 1373 384 384 GLN H H 8.360 0.005 1 1374 384 384 GLN CA C 53.420 0.05 1 1375 384 384 GLN CB C 27.300 0.05 1 1376 384 384 GLN N N 120.790 0.05 1 1377 385 385 LEU H H 9.010 0.005 1 1378 385 385 LEU CA C 52.980 0.05 1 1379 385 385 LEU CB C 39.210 0.05 1 1380 385 385 LEU N N 130.090 0.05 1 1381 387 387 GLY H H 8.940 0.005 1 1382 387 387 GLY CA C 46.030 0.05 1 1383 387 387 GLY N N 103.120 0.05 1 1384 388 388 VAL H H 7.150 0.005 1 1385 388 388 VAL CA C 64.960 0.05 1 1386 388 388 VAL CB C 31.380 0.05 1 1387 388 388 VAL N N 119.440 0.05 1 1388 389 389 VAL H H 7.930 0.005 1 1389 389 389 VAL CA C 64.560 0.05 1 1390 389 389 VAL CB C 31.120 0.05 1 1391 389 389 VAL N N 117.800 0.05 1 1392 390 390 ALA H H 6.770 0.005 1 1393 390 390 ALA CA C 52.420 0.05 1 1394 390 390 ALA CB C 18.370 0.05 1 1395 390 390 ALA N N 116.900 0.05 1 1396 391 391 LEU H H 7.170 0.005 1 1397 391 391 LEU CA C 53.980 0.05 1 1398 391 391 LEU CB C 41.150 0.05 1 1399 391 391 LEU N N 115.790 0.05 1 1400 392 392 GLU H H 8.680 0.005 1 1401 392 392 GLU CA C 57.380 0.05 1 1402 392 392 GLU CB C 30.470 0.05 1 1403 392 392 GLU N N 123.590 0.05 1 1404 393 393 ASP H H 8.330 0.005 1 1405 393 393 ASP CA C 54.430 0.05 1 1406 393 393 ASP CB C 41.540 0.05 1 1407 393 393 ASP N N 123.990 0.05 1 1408 394 394 LYS H H 8.110 0.005 1 1409 394 394 LYS CA C 58.590 0.05 1 1410 394 394 LYS CB C 32.860 0.05 1 1411 394 394 LYS N N 126.920 0.05 1 stop_ save_