data_16447 ####################### # 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 16447 _BMRB_flat_file_name bmr16447.str _Entry_type original _Submission_date 2009-08-11 _Accession_date 2009-08-11 _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" 364 "13C chemical shifts" 1058 "15N chemical shifts" 364 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-07 update BMRB 'delete of outlier 189 PHE C 0.000' 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 apo-PGK _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PGK $PGK 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 16451 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_ #################### # 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' 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_2D_15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 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_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _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 '2D 15N TROSY' '3D TROSY ct-HNCA' ct-HN(CO)CA HN(CA)CB HN(COCA)CB HNCO HN(CA)CO 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 C C 176.750 0.05 1 3 3 3 LYS CA C 52.720 0.05 1 4 3 3 LYS CB C 32.590 0.05 1 5 3 3 LYS N N 119.640 0.05 1 6 4 4 LYS H H 8.650 0.005 1 7 4 4 LYS C C 176.350 0.05 1 8 4 4 LYS CA C 57.490 0.05 1 9 4 4 LYS CB C 34.940 0.05 1 10 4 4 LYS N N 121.210 0.05 1 11 5 5 THR H H 9.390 0.005 1 12 5 5 THR C C 177.310 0.05 1 13 5 5 THR CA C 59.900 0.05 1 14 5 5 THR CB C 74.290 0.05 1 15 5 5 THR N N 111.780 0.05 1 16 6 6 ILE H H 7.100 0.005 1 17 6 6 ILE C C 174.190 0.05 1 18 6 6 ILE CA C 63.310 0.05 1 19 6 6 ILE CB C 36.740 0.05 1 20 6 6 ILE N N 112.000 0.05 1 21 7 7 ARG H H 7.520 0.005 1 22 7 7 ARG C C 177.870 0.05 1 23 7 7 ARG CA C 57.130 0.05 1 24 7 7 ARG CB C 29.800 0.05 1 25 7 7 ARG N N 115.220 0.05 1 26 8 8 ASP H H 7.870 0.005 1 27 8 8 ASP C C 174.810 0.05 1 28 8 8 ASP CA C 55.070 0.05 1 29 8 8 ASP CB C 42.550 0.05 1 30 8 8 ASP N N 116.250 0.05 1 31 9 9 VAL H H 7.080 0.005 1 32 9 9 VAL C C 172.770 0.05 1 33 9 9 VAL CA C 58.360 0.05 1 34 9 9 VAL CB C 34.400 0.05 1 35 9 9 VAL N N 113.620 0.05 1 36 10 10 ASP H H 8.160 0.005 1 37 10 10 ASP C C 177.270 0.05 1 38 10 10 ASP CA C 52.880 0.05 1 39 10 10 ASP CB C 40.620 0.05 1 40 10 10 ASP N N 121.360 0.05 1 41 11 11 VAL H H 8.160 0.005 1 42 11 11 VAL C C 175.640 0.05 1 43 11 11 VAL CA C 60.590 0.05 1 44 11 11 VAL CB C 31.310 0.05 1 45 11 11 VAL N N 117.040 0.05 1 46 12 12 ARG H H 7.680 0.005 1 47 12 12 ARG C C 178.860 0.05 1 48 12 12 ARG CA C 58.460 0.05 1 49 12 12 ARG CB C 28.500 0.05 1 50 12 12 ARG N N 123.940 0.05 1 51 13 13 GLY H H 8.520 0.005 1 52 13 13 GLY C C 173.650 0.05 1 53 13 13 GLY CA C 45.690 0.05 1 54 13 13 GLY N N 115.870 0.05 1 55 14 14 LYS H H 7.940 0.005 1 56 14 14 LYS C C 175.890 0.05 1 57 14 14 LYS CA C 54.420 0.05 1 58 14 14 LYS CB C 32.400 0.05 1 59 14 14 LYS N N 120.270 0.05 1 60 15 15 ARG H H 9.510 0.005 1 61 15 15 ARG C C 176.400 0.05 1 62 15 15 ARG CA C 55.140 0.05 1 63 15 15 ARG CB C 29.280 0.05 1 64 15 15 ARG N N 122.100 0.05 1 65 16 16 VAL H H 9.350 0.005 1 66 16 16 VAL C C 173.050 0.05 1 67 16 16 VAL CA C 60.680 0.05 1 68 16 16 VAL CB C 32.860 0.05 1 69 16 16 VAL N N 128.700 0.05 1 70 17 17 PHE H H 8.790 0.005 1 71 17 17 PHE C C 173.610 0.05 1 72 17 17 PHE CA C 56.170 0.05 1 73 17 17 PHE CB C 39.060 0.05 1 74 17 17 PHE N N 130.930 0.05 1 75 18 18 CYS H H 9.670 0.005 1 76 18 18 CYS C C 173.130 0.05 1 77 18 18 CYS CA C 55.470 0.05 1 78 18 18 CYS CB C 27.600 0.05 1 79 18 18 CYS N N 131.380 0.05 1 80 19 19 ARG H H 9.090 0.005 1 81 19 19 ARG C C 173.640 0.05 1 82 19 19 ARG CA C 53.730 0.05 1 83 19 19 ARG CB C 32.050 0.05 1 84 19 19 ARG N N 129.940 0.05 1 85 20 20 VAL H H 8.460 0.005 1 86 20 20 VAL C C 175.000 0.05 1 87 20 20 VAL CA C 58.140 0.05 1 88 20 20 VAL CB C 34.950 0.05 1 89 20 20 VAL N N 119.740 0.05 1 90 21 21 ASP H H 9.000 0.005 1 91 21 21 ASP C C 175.040 0.05 1 92 21 21 ASP CA C 51.320 0.05 1 93 21 21 ASP CB C 40.140 0.05 1 94 21 21 ASP N N 121.240 0.05 1 95 22 22 PHE H H 8.160 0.005 1 96 22 22 PHE C C 174.450 0.05 1 97 22 22 PHE CA C 50.680 0.05 1 98 22 22 PHE CB C 36.390 0.05 1 99 22 22 PHE N N 121.920 0.05 1 100 23 23 ASN H H 7.750 0.005 1 101 23 23 ASN C C 174.690 0.05 1 102 23 23 ASN CA C 52.400 0.05 1 103 23 23 ASN CB C 35.720 0.05 1 104 23 23 ASN N N 118.510 0.05 1 105 24 24 VAL H H 7.680 0.005 1 106 24 24 VAL C C 173.170 0.05 1 107 24 24 VAL CA C 57.800 0.05 1 108 24 24 VAL CB C 29.650 0.05 1 109 24 24 VAL N N 117.940 0.05 1 110 26 26 MET H H 7.960 0.005 1 111 26 26 MET C C 175.970 0.05 1 112 26 26 MET CA C 53.980 0.05 1 113 26 26 MET CB C 37.230 0.05 1 114 26 26 MET N N 120.320 0.05 1 115 27 27 GLU H H 8.820 0.005 1 116 27 27 GLU C C 176.280 0.05 1 117 27 27 GLU CA C 55.710 0.05 1 118 27 27 GLU CB C 32.060 0.05 1 119 27 27 GLU N N 121.520 0.05 1 120 29 29 GLY H H 8.670 0.005 1 121 29 29 GLY C C 172.940 0.05 1 122 29 29 GLY CA C 45.140 0.05 1 123 29 29 GLY N N 104.920 0.05 1 124 30 30 ALA H H 7.800 0.005 1 125 30 30 ALA C C 176.400 0.05 1 126 30 30 ALA CA C 49.470 0.05 1 127 30 30 ALA CB C 20.210 0.05 1 128 30 30 ALA N N 123.640 0.05 1 129 31 31 ILE H H 8.580 0.005 1 130 31 31 ILE C C 177.990 0.05 1 131 31 31 ILE CA C 61.690 0.05 1 132 31 31 ILE CB C 38.070 0.05 1 133 31 31 ILE N N 121.920 0.05 1 134 32 32 THR H H 8.640 0.005 1 135 32 32 THR C C 174.960 0.05 1 136 32 32 THR CA C 62.250 0.05 1 137 32 32 THR CB C 67.860 0.05 1 138 32 32 THR N N 120.660 0.05 1 139 33 33 ASP H H 6.420 0.005 1 140 33 33 ASP C C 176.360 0.05 1 141 33 33 ASP CA C 53.990 0.05 1 142 33 33 ASP CB C 41.640 0.05 1 143 33 33 ASP N N 119.650 0.05 1 144 34 34 ASP H H 8.550 0.005 1 145 34 34 ASP C C 177.760 0.05 1 146 34 34 ASP CA C 52.510 0.05 1 147 34 34 ASP CB C 40.090 0.05 1 148 34 34 ASP N N 126.280 0.05 1 149 35 35 THR H H 8.700 0.005 1 150 35 35 THR C C 176.820 0.05 1 151 35 35 THR CA C 68.590 0.05 1 152 35 35 THR CB C 67.990 0.05 1 153 35 35 THR N N 121.290 0.05 1 154 36 36 ARG H H 9.270 0.005 1 155 36 36 ARG C C 179.540 0.05 1 156 36 36 ARG CA C 59.770 0.05 1 157 36 36 ARG CB C 29.030 0.05 1 158 36 36 ARG N N 119.340 0.05 1 159 37 37 ILE H H 7.090 0.005 1 160 37 37 ILE C C 177.460 0.05 1 161 37 37 ILE CA C 63.860 0.05 1 162 37 37 ILE CB C 36.800 0.05 1 163 37 37 ILE N N 116.500 0.05 1 164 38 38 ARG H H 7.460 0.005 1 165 38 38 ARG C C 180.250 0.05 1 166 38 38 ARG CA C 59.230 0.05 1 167 38 38 ARG CB C 28.990 0.05 1 168 38 38 ARG N N 116.640 0.05 1 169 39 39 ALA H H 8.500 0.005 1 170 39 39 ALA C C 178.470 0.05 1 171 39 39 ALA CA C 53.850 0.05 1 172 39 39 ALA CB C 17.810 0.05 1 173 39 39 ALA N N 121.430 0.05 1 174 40 40 ALA H H 7.250 0.005 1 175 40 40 ALA C C 177.900 0.05 1 176 40 40 ALA CA C 52.320 0.05 1 177 40 40 ALA CB C 19.690 0.05 1 178 40 40 ALA N N 117.680 0.05 1 179 41 41 LEU H H 7.540 0.005 1 180 41 41 LEU C C 175.680 0.05 1 181 41 41 LEU CA C 59.120 0.05 1 182 41 41 LEU CB C 38.070 0.05 1 183 41 41 LEU N N 117.000 0.05 1 184 43 43 THR H H 7.900 0.005 1 185 43 43 THR C C 175.010 0.05 1 186 43 43 THR CA C 65.940 0.05 1 187 43 43 THR CB C 68.570 0.05 1 188 43 43 THR N N 117.110 0.05 1 189 44 44 ILE H H 7.640 0.005 1 190 44 44 ILE C C 177.630 0.05 1 191 44 44 ILE CA C 66.280 0.05 1 192 44 44 ILE CB C 38.060 0.05 1 193 44 44 ILE N N 121.070 0.05 1 194 45 45 ARG H H 9.660 0.005 1 195 45 45 ARG C C 178.390 0.05 1 196 45 45 ARG CA C 59.920 0.05 1 197 45 45 ARG CB C 29.270 0.05 1 198 45 45 ARG N N 118.160 0.05 1 199 46 46 TYR H H 7.830 0.005 1 200 46 46 TYR C C 178.980 0.05 1 201 46 46 TYR CA C 61.880 0.05 1 202 46 46 TYR CB C 38.300 0.05 1 203 46 46 TYR N N 119.960 0.05 1 204 47 47 LEU H H 7.890 0.005 1 205 47 47 LEU C C 178.190 0.05 1 206 47 47 LEU CA C 58.140 0.05 1 207 47 47 LEU CB C 41.050 0.05 1 208 47 47 LEU N N 119.890 0.05 1 209 48 48 ILE H H 8.420 0.005 1 210 48 48 ILE C C 180.290 0.05 1 211 48 48 ILE CA C 65.950 0.05 1 212 48 48 ILE CB C 38.070 0.05 1 213 48 48 ILE N N 119.310 0.05 1 214 49 49 GLU H H 8.610 0.005 1 215 49 49 GLU C C 177.950 0.05 1 216 49 49 GLU CA C 58.280 0.05 1 217 49 49 GLU CB C 28.470 0.05 1 218 49 49 GLU N N 121.310 0.05 1 219 50 50 HIS H H 7.500 0.005 1 220 50 50 HIS C C 173.840 0.05 1 221 50 50 HIS CA C 57.070 0.05 1 222 50 50 HIS CB C 28.220 0.05 1 223 50 50 HIS N N 115.180 0.05 1 224 51 51 GLY H H 7.680 0.005 1 225 51 51 GLY C C 174.800 0.05 1 226 51 51 GLY CA C 46.810 0.05 1 227 51 51 GLY N N 106.130 0.05 1 228 52 52 ALA H H 8.050 0.005 1 229 52 52 ALA C C 177.200 0.05 1 230 52 52 ALA CA C 51.550 0.05 1 231 52 52 ALA CB C 19.670 0.05 1 232 52 52 ALA N N 122.850 0.05 1 233 53 53 LYS H H 8.670 0.005 1 234 53 53 LYS C C 175.080 0.05 1 235 53 53 LYS CA C 55.620 0.05 1 236 53 53 LYS CB C 31.570 0.05 1 237 53 53 LYS N N 121.980 0.05 1 238 54 54 VAL H H 8.500 0.005 1 239 54 54 VAL C C 172.540 0.05 1 240 54 54 VAL CA C 64.440 0.05 1 241 54 54 VAL CB C 31.590 0.05 1 242 54 54 VAL N N 125.630 0.05 1 243 55 55 ILE H H 8.880 0.005 1 244 55 55 ILE C C 174.160 0.05 1 245 55 55 ILE CA C 60.010 0.05 1 246 55 55 ILE CB C 38.840 0.05 1 247 55 55 ILE N N 130.270 0.05 1 248 56 56 LEU H H 9.460 0.005 1 249 56 56 LEU C C 174.280 0.05 1 250 56 56 LEU CA C 52.650 0.05 1 251 56 56 LEU CB C 44.050 0.05 1 252 56 56 LEU N N 125.770 0.05 1 253 57 57 ALA H H 7.920 0.005 1 254 57 57 ALA C C 176.170 0.05 1 255 57 57 ALA CA C 48.360 0.05 1 256 57 57 ALA CB C 22.800 0.05 1 257 57 57 ALA N N 122.250 0.05 1 258 58 58 SER H H 10.020 0.005 1 259 58 58 SER C C 173.290 0.05 1 260 58 58 SER CA C 56.370 0.05 1 261 58 58 SER CB C 64.680 0.05 1 262 58 58 SER N N 114.540 0.05 1 263 59 59 HIS H H 7.460 0.005 1 264 59 59 HIS C C 173.130 0.05 1 265 59 59 HIS CA C 54.940 0.05 1 266 59 59 HIS CB C 33.920 0.05 1 267 59 59 HIS N N 118.660 0.05 1 268 60 60 LEU H H 6.590 0.005 1 269 60 60 LEU C C 176.390 0.05 1 270 60 60 LEU CA C 55.260 0.05 1 271 60 60 LEU CB C 44.240 0.05 1 272 60 60 LEU N N 120.360 0.05 1 273 61 61 GLY H H 8.650 0.005 1 274 61 61 GLY C C 172.930 0.05 1 275 61 61 GLY CA C 45.260 0.05 1 276 61 61 GLY N N 113.120 0.05 1 277 62 62 ARG H H 8.380 0.005 1 278 62 62 ARG C C 173.290 0.05 1 279 62 62 ARG CA C 53.190 0.05 1 280 62 62 ARG CB C 30.260 0.05 1 281 62 62 ARG N N 119.020 0.05 1 282 64 64 LYS H H 8.960 0.005 1 283 64 64 LYS C C 177.430 0.05 1 284 64 64 LYS CA C 55.840 0.05 1 285 64 64 LYS CB C 28.490 0.05 1 286 64 64 LYS N N 114.750 0.05 1 287 65 65 GLY H H 7.730 0.005 1 288 65 65 GLY C C 172.250 0.05 1 289 65 65 GLY CA C 46.670 0.05 1 290 65 65 GLY N N 104.860 0.05 1 291 66 66 LYS H H 7.020 0.005 1 292 66 66 LYS C C 173.770 0.05 1 293 66 66 LYS CA C 53.190 0.05 1 294 66 66 LYS CB C 34.190 0.05 1 295 66 66 LYS N N 116.760 0.05 1 296 67 67 VAL H H 7.660 0.005 1 297 67 67 VAL C C 176.080 0.05 1 298 67 67 VAL CA C 63.120 0.05 1 299 67 67 VAL CB C 30.040 0.05 1 300 67 67 VAL N N 118.190 0.05 1 301 68 68 VAL H H 5.340 0.005 1 302 68 68 VAL C C 176.630 0.05 1 303 68 68 VAL CA C 60.770 0.05 1 304 68 68 VAL CB C 33.690 0.05 1 305 68 68 VAL N N 130.320 0.05 1 306 69 69 GLU H H 8.900 0.005 1 307 69 69 GLU C C 179.000 0.05 1 308 69 69 GLU CA C 59.910 0.05 1 309 69 69 GLU CB C 28.280 0.05 1 310 69 69 GLU N N 128.550 0.05 1 311 70 70 GLU H H 9.030 0.005 1 312 70 70 GLU C C 176.510 0.05 1 313 70 70 GLU CA C 58.270 0.05 1 314 70 70 GLU CB C 28.230 0.05 1 315 70 70 GLU N N 116.020 0.05 1 316 71 71 LEU H H 8.040 0.005 1 317 71 71 LEU C C 176.030 0.05 1 318 71 71 LEU CA C 52.960 0.05 1 319 71 71 LEU CB C 40.650 0.05 1 320 71 71 LEU N N 118.630 0.05 1 321 72 72 ARG H H 7.200 0.005 1 322 72 72 ARG C C 179.820 0.05 1 323 72 72 ARG CA C 57.710 0.05 1 324 72 72 ARG CB C 31.560 0.05 1 325 72 72 ARG N N 118.430 0.05 1 326 73 73 LEU H H 9.510 0.005 1 327 73 73 LEU C C 177.150 0.05 1 328 73 73 LEU CA C 55.280 0.05 1 329 73 73 LEU CB C 39.880 0.05 1 330 73 73 LEU N N 118.340 0.05 1 331 74 74 ASP H H 7.910 0.005 1 332 74 74 ASP C C 177.870 0.05 1 333 74 74 ASP CA C 58.930 0.05 1 334 74 74 ASP CB C 39.610 0.05 1 335 74 74 ASP N N 121.310 0.05 1 336 75 75 ALA H H 8.970 0.005 1 337 75 75 ALA C C 181.410 0.05 1 338 75 75 ALA CA C 54.940 0.05 1 339 75 75 ALA CB C 17.030 0.05 1 340 75 75 ALA N N 122.220 0.05 1 341 76 76 VAL H H 7.320 0.005 1 342 76 76 VAL C C 176.510 0.05 1 343 76 76 VAL CA C 65.850 0.05 1 344 76 76 VAL CB C 30.320 0.05 1 345 76 76 VAL N N 120.060 0.05 1 346 77 77 ALA H H 7.990 0.005 1 347 77 77 ALA C C 179.380 0.05 1 348 77 77 ALA CA C 55.280 0.05 1 349 77 77 ALA CB C 17.300 0.05 1 350 77 77 ALA N N 122.050 0.05 1 351 78 78 LYS H H 7.560 0.005 1 352 78 78 LYS C C 179.300 0.05 1 353 78 78 LYS CA C 58.690 0.05 1 354 78 78 LYS CB C 31.560 0.05 1 355 78 78 LYS N N 117.550 0.05 1 356 79 79 ARG H H 7.720 0.005 1 357 79 79 ARG C C 177.870 0.05 1 358 79 79 ARG CA C 56.060 0.05 1 359 79 79 ARG CB C 27.960 0.05 1 360 79 79 ARG N N 120.060 0.05 1 361 80 80 LEU H H 8.830 0.005 1 362 80 80 LEU C C 178.300 0.05 1 363 80 80 LEU CA C 57.810 0.05 1 364 80 80 LEU CB C 40.120 0.05 1 365 80 80 LEU N N 120.150 0.05 1 366 81 81 GLY H H 8.080 0.005 1 367 81 81 GLY C C 177.150 0.05 1 368 81 81 GLY CA C 47.350 0.05 1 369 81 81 GLY N N 106.230 0.05 1 370 82 82 GLU H H 7.640 0.005 1 371 82 82 GLU C C 179.940 0.05 1 372 82 82 GLU CA C 58.570 0.05 1 373 82 82 GLU CB C 28.990 0.05 1 374 82 82 GLU N N 121.950 0.05 1 375 83 83 LEU H H 7.940 0.005 1 376 83 83 LEU C C 179.380 0.05 1 377 83 83 LEU CA C 56.700 0.05 1 378 83 83 LEU CB C 41.870 0.05 1 379 83 83 LEU N N 119.220 0.05 1 380 84 84 LEU H H 8.570 0.005 1 381 84 84 LEU C C 176.640 0.05 1 382 84 84 LEU CA C 54.840 0.05 1 383 84 84 LEU CB C 42.750 0.05 1 384 84 84 LEU N N 117.240 0.05 1 385 85 85 GLU H H 7.850 0.005 1 386 85 85 GLU C C 175.280 0.05 1 387 85 85 GLU CA C 56.830 0.05 1 388 85 85 GLU CB C 26.410 0.05 1 389 85 85 GLU N N 116.410 0.05 1 390 86 86 ARG H H 7.860 0.005 1 391 86 86 ARG C C 172.490 0.05 1 392 86 86 ARG CA C 53.060 0.05 1 393 86 86 ARG CB C 31.520 0.05 1 394 86 86 ARG N N 117.440 0.05 1 395 88 88 VAL H H 8.090 0.005 1 396 88 88 VAL C C 175.67 0.05 1 397 88 88 VAL CA C 60.900 0.05 1 398 88 88 VAL CB C 33.390 0.05 1 399 88 88 VAL N N 123.170 0.05 1 400 89 89 ALA H H 7.910 0.005 1 401 89 89 ALA C C 175.280 0.05 1 402 89 89 ALA CA C 51.200 0.05 1 403 89 89 ALA CB C 19.150 0.05 1 404 89 89 ALA N N 130.870 0.05 1 405 90 90 LYS H H 8.190 0.005 1 406 90 90 LYS C C 176.590 0.05 1 407 90 90 LYS CA C 54.820 0.05 1 408 90 90 LYS CB C 33.690 0.05 1 409 90 90 LYS N N 122.690 0.05 1 410 91 91 THR H H 8.190 0.005 1 411 91 91 THR C C 174.000 0.05 1 412 91 91 THR CA C 59.700 0.05 1 413 91 91 THR CB C 69.910 0.05 1 414 91 91 THR N N 118.340 0.05 1 415 92 92 ASN H H 8.870 0.005 1 416 92 92 ASN C C 174.450 0.05 1 417 92 92 ASN CA C 52.980 0.05 1 418 92 92 ASN CB C 38.320 0.05 1 419 92 92 ASN N N 118.340 0.05 1 420 93 93 GLU H H 7.290 0.005 1 421 93 93 GLU C C 175.560 0.05 1 422 93 93 GLU CA C 54.290 0.05 1 423 93 93 GLU CB C 34.160 0.05 1 424 93 93 GLU N N 116.440 0.05 1 425 94 94 ALA H H 8.920 0.005 1 426 94 94 ALA C C 172.810 0.05 1 427 94 94 ALA CA C 51.840 0.05 1 428 94 94 ALA CB C 20.980 0.05 1 429 94 94 ALA N N 123.140 0.05 1 430 95 95 VAL H H 6.920 0.005 1 431 95 95 VAL C C 176.050 0.05 1 432 95 95 VAL CA C 58.800 0.05 1 433 95 95 VAL CB C 35.680 0.05 1 434 95 95 VAL N N 104.970 0.05 1 435 96 96 GLY H H 8.510 0.005 1 436 96 96 GLY C C 175.120 0.05 1 437 96 96 GLY CA C 43.810 0.05 1 438 96 96 GLY N N 109.090 0.05 1 439 99 99 VAL H H 7.470 0.005 1 440 99 99 VAL C C 177.470 0.05 1 441 99 99 VAL CA C 66.160 0.05 1 442 99 99 VAL CB C 30.540 0.05 1 443 99 99 VAL N N 122.930 0.05 1 444 100 100 LYS H H 8.280 0.005 1 445 100 100 LYS C C 178.700 0.05 1 446 100 100 LYS CA C 60.030 0.05 1 447 100 100 LYS CB C 31.270 0.05 1 448 100 100 LYS N N 120.320 0.05 1 449 101 101 ALA H H 7.660 0.005 1 450 101 101 ALA C C 179.780 0.05 1 451 101 101 ALA CA C 54.380 0.05 1 452 101 101 ALA CB C 17.090 0.05 1 453 101 101 ALA N N 119.770 0.05 1 454 102 102 ALA H H 7.520 0.005 1 455 102 102 ALA C C 181.070 0.05 1 456 102 102 ALA CA C 54.490 0.05 1 457 102 102 ALA CB C 17.360 0.05 1 458 102 102 ALA N N 121.440 0.05 1 459 103 103 VAL H H 8.530 0.005 1 460 103 103 VAL C C 179.250 0.05 1 461 103 103 VAL CA C 65.650 0.05 1 462 103 103 VAL CB C 30.740 0.05 1 463 103 103 VAL N N 120.780 0.05 1 464 104 104 ASP H H 8.120 0.005 1 465 104 104 ASP C C 177.190 0.05 1 466 104 104 ASP CA C 56.370 0.05 1 467 104 104 ASP CB C 40.150 0.05 1 468 104 104 ASP N N 120.770 0.05 1 469 105 105 ARG H H 7.090 0.005 1 470 105 105 ARG C C 177.190 0.05 1 471 105 105 ARG CA C 55.960 0.05 1 472 105 105 ARG CB C 30.470 0.05 1 473 105 105 ARG N N 115.830 0.05 1 474 106 106 LEU H H 7.430 0.005 1 475 106 106 LEU C C 176.710 0.05 1 476 106 106 LEU CA C 55.730 0.05 1 477 106 106 LEU CB C 41.660 0.05 1 478 106 106 LEU N N 120.610 0.05 1 479 107 107 ASN H H 9.330 0.005 1 480 107 107 ASN C C 175.200 0.05 1 481 107 107 ASN CA C 50.970 0.05 1 482 107 107 ASN CB C 40.090 0.05 1 483 107 107 ASN N N 122.170 0.05 1 484 108 108 GLU H H 8.650 0.005 1 485 108 108 GLU C C 177.830 0.05 1 486 108 108 GLU CA C 59.340 0.05 1 487 108 108 GLU CB C 28.950 0.05 1 488 108 108 GLU N N 119.420 0.05 1 489 109 109 GLY H H 8.630 0.005 1 490 109 109 GLY C C 172.330 0.05 1 491 109 109 GLY CA C 45.470 0.05 1 492 109 109 GLY N N 114.650 0.05 1 493 110 110 ASP H H 7.910 0.005 1 494 110 110 ASP C C 174.490 0.05 1 495 110 110 ASP CA C 53.750 0.05 1 496 110 110 ASP CB C 42.730 0.05 1 497 110 110 ASP N N 119.370 0.05 1 498 111 111 VAL H H 7.860 0.005 1 499 111 111 VAL C C 174.000 0.05 1 500 111 111 VAL CA C 60.370 0.05 1 501 111 111 VAL CB C 33.900 0.05 1 502 111 111 VAL N N 116.020 0.05 1 503 112 112 LEU H H 9.190 0.005 1 504 112 112 LEU C C 172.700 0.05 1 505 112 112 LEU CA C 52.840 0.05 1 506 112 112 LEU CB C 46.120 0.05 1 507 112 112 LEU N N 132.260 0.05 1 508 113 113 LEU H H 9.280 0.005 1 509 113 113 LEU C C 174.090 0.05 1 510 113 113 LEU CA C 53.000 0.05 1 511 113 113 LEU CB C 44.030 0.05 1 512 113 113 LEU N N 129.450 0.05 1 513 114 114 LEU H H 8.160 0.005 1 514 114 114 LEU C C 177.240 0.05 1 515 114 114 LEU CA C 53.420 0.05 1 516 114 114 LEU CB C 41.670 0.05 1 517 114 114 LEU N N 124.260 0.05 1 518 115 115 GLU H H 5.770 0.005 1 519 115 115 GLU C C 174.050 0.05 1 520 115 115 GLU CA C 54.610 0.05 1 521 115 115 GLU CB C 28.690 0.05 1 522 115 115 GLU N N 117.510 0.05 1 523 116 116 ASN H H 9.090 0.005 1 524 116 116 ASN C C 177.670 0.05 1 525 116 116 ASN CA C 53.290 0.05 1 526 116 116 ASN CB C 38.080 0.05 1 527 116 116 ASN N N 123.230 0.05 1 528 117 117 VAL H H 7.960 0.005 1 529 117 117 VAL C C 177.710 0.05 1 530 117 117 VAL CA C 65.000 0.05 1 531 117 117 VAL CB C 30.590 0.05 1 532 117 117 VAL N N 119.610 0.05 1 533 118 118 ARG H H 7.830 0.005 1 534 118 118 ARG C C 175.750 0.05 1 535 118 118 ARG CA C 57.400 0.05 1 536 118 118 ARG CB C 29.240 0.05 1 537 118 118 ARG N N 114.010 0.05 1 538 119 119 PHE H H 7.560 0.005 1 539 119 119 PHE C C 174.290 0.05 1 540 119 119 PHE CA C 54.180 0.05 1 541 119 119 PHE CB C 35.990 0.05 1 542 119 119 PHE N N 118.350 0.05 1 543 120 120 TYR H H 7.160 0.005 1 544 120 120 TYR C C 176.070 0.05 1 545 120 120 TYR CA C 54.940 0.05 1 546 120 120 TYR CB C 37.770 0.05 1 547 120 120 TYR N N 117.160 0.05 1 548 123 123 GLU H H 7.640 0.005 1 549 123 123 GLU C C 180.460 0.05 1 550 123 123 GLU CA C 58.810 0.05 1 551 123 123 GLU CB C 27.440 0.05 1 552 123 123 GLU N N 125.390 0.05 1 553 124 124 GLU H H 8.580 0.005 1 554 124 124 GLU C C 176.120 0.05 1 555 124 124 GLU CA C 57.820 0.05 1 556 124 124 GLU CB C 28.240 0.05 1 557 124 124 GLU N N 118.890 0.05 1 558 125 125 LYS H H 6.540 0.005 1 559 125 125 LYS C C 176.360 0.05 1 560 125 125 LYS CA C 55.250 0.05 1 561 125 125 LYS CB C 32.330 0.05 1 562 125 125 LYS N N 114.460 0.05 1 563 126 126 ASN H H 7.920 0.005 1 564 126 126 ASN C C 174.800 0.05 1 565 126 126 ASN CA C 51.880 0.05 1 566 126 126 ASN CB C 36.210 0.05 1 567 126 126 ASN N N 121.180 0.05 1 568 127 127 ASP H H 8.410 0.005 1 569 127 127 ASP C C 176.040 0.05 1 570 127 127 ASP CA C 51.960 0.05 1 571 127 127 ASP CB C 42.470 0.05 1 572 127 127 ASP N N 120.160 0.05 1 573 129 129 GLU H H 8.230 0.005 1 574 129 129 GLU C C 179.620 0.05 1 575 129 129 GLU CA C 58.470 0.05 1 576 129 129 GLU CB C 28.220 0.05 1 577 129 129 GLU N N 116.370 0.05 1 578 130 130 LEU H H 7.170 0.005 1 579 130 130 LEU C C 177.070 0.05 1 580 130 130 LEU CA C 55.960 0.05 1 581 130 130 LEU CB C 40.090 0.05 1 582 130 130 LEU N N 122.470 0.05 1 583 131 131 ALA H H 7.710 0.005 1 584 131 131 ALA C C 178.590 0.05 1 585 131 131 ALA CA C 55.380 0.05 1 586 131 131 ALA CB C 17.070 0.05 1 587 131 131 ALA N N 120.040 0.05 1 588 132 132 LYS H H 7.840 0.005 1 589 132 132 LYS C C 177.910 0.05 1 590 132 132 LYS CA C 58.620 0.05 1 591 132 132 LYS CB C 31.330 0.05 1 592 132 132 LYS N N 116.410 0.05 1 593 133 133 ALA H H 7.020 0.005 1 594 133 133 ALA C C 181.110 0.05 1 595 133 133 ALA CA C 54.320 0.05 1 596 133 133 ALA CB C 16.840 0.05 1 597 133 133 ALA N N 123.230 0.05 1 598 134 134 PHE H H 8.010 0.005 1 599 134 134 PHE C C 177.810 0.05 1 600 134 134 PHE CA C 56.910 0.05 1 601 134 134 PHE CB C 37.530 0.05 1 602 134 134 PHE N N 117.620 0.05 1 603 135 135 ALA H H 7.820 0.005 1 604 135 135 ALA C C 179.260 0.05 1 605 135 135 ALA CA C 53.970 0.05 1 606 135 135 ALA CB C 18.380 0.05 1 607 135 135 ALA N N 118.960 0.05 1 608 136 136 GLU H H 7.580 0.005 1 609 136 136 GLU C C 177.830 0.05 1 610 136 136 GLU CA C 57.580 0.05 1 611 136 136 GLU CB C 29.250 0.05 1 612 136 136 GLU N N 115.430 0.05 1 613 137 137 LEU H H 7.550 0.005 1 614 137 137 LEU C C 175.370 0.05 1 615 137 137 LEU CA C 54.870 0.05 1 616 137 137 LEU CB C 42.080 0.05 1 617 137 137 LEU N N 117.010 0.05 1 618 138 138 ALA H H 7.430 0.005 1 619 138 138 ALA C C 172.890 0.05 1 620 138 138 ALA CA C 50.220 0.05 1 621 138 138 ALA CB C 24.350 0.05 1 622 138 138 ALA N N 115.460 0.05 1 623 139 139 ASP H H 9.070 0.005 1 624 139 139 ASP C C 176.040 0.05 1 625 139 139 ASP CA C 54.650 0.05 1 626 139 139 ASP CB C 44.490 0.05 1 627 139 139 ASP N N 113.460 0.05 1 628 140 140 LEU H H 7.880 0.005 1 629 140 140 LEU C C 172.130 0.05 1 630 140 140 LEU CA C 54.520 0.05 1 631 140 140 LEU CB C 45.570 0.05 1 632 140 140 LEU N N 120.780 0.05 1 633 141 141 TYR H H 9.050 0.005 1 634 141 141 TYR C C 172.290 0.05 1 635 141 141 TYR CA C 55.140 0.05 1 636 141 141 TYR CB C 40.150 0.05 1 637 141 141 TYR N N 126.800 0.05 1 638 142 142 VAL H H 8.770 0.005 1 639 142 142 VAL C C 173.090 0.05 1 640 142 142 VAL CA C 58.070 0.05 1 641 142 142 VAL CB C 33.640 0.05 1 642 142 142 VAL N N 127.960 0.05 1 643 143 143 ASN H H 8.250 0.005 1 644 143 143 ASN C C 174.880 0.05 1 645 143 143 ASN CA C 50.760 0.05 1 646 143 143 ASN CB C 38.560 0.05 1 647 143 143 ASN N N 123.470 0.05 1 648 144 144 ASP H H 9.230 0.005 1 649 144 144 ASP C C 176.700 0.05 1 650 144 144 ASP CA C 52.220 0.05 1 651 144 144 ASP CB C 43.530 0.05 1 652 144 144 ASP N N 128.760 0.05 1 653 145 145 ALA H H 8.220 0.005 1 654 145 145 ALA C C 177.030 0.05 1 655 145 145 ALA CA C 48.890 0.05 1 656 145 145 ALA CB C 18.070 0.05 1 657 145 145 ALA N N 125.390 0.05 1 658 146 146 PHE H H 9.210 0.005 1 659 146 146 PHE C C 176.480 0.05 1 660 146 146 PHE CA C 62.240 0.05 1 661 146 146 PHE CB C 38.800 0.05 1 662 146 146 PHE N N 128.580 0.05 1 663 147 147 GLY H H 9.170 0.005 1 664 147 147 GLY C C 173.570 0.05 1 665 147 147 GLY CA C 45.680 0.05 1 666 147 147 GLY N N 100.920 0.05 1 667 148 148 ALA H H 7.410 0.005 1 668 148 148 ALA C C 177.640 0.05 1 669 148 148 ALA CA C 50.300 0.05 1 670 148 148 ALA CB C 19.400 0.05 1 671 148 148 ALA N N 120.600 0.05 1 672 149 149 ALA H H 7.770 0.005 1 673 149 149 ALA C C 176.270 0.05 1 674 149 149 ALA CA C 53.320 0.05 1 675 149 149 ALA CB C 18.080 0.05 1 676 149 149 ALA N N 120.990 0.05 1 677 150 150 HIS H H 10.250 0.005 1 678 150 150 HIS C C 174.120 0.05 1 679 150 150 HIS CA C 56.400 0.05 1 680 150 150 HIS CB C 28.980 0.05 1 681 150 150 HIS N N 118.390 0.05 1 682 151 151 ARG H H 6.850 0.005 1 683 151 151 ARG C C 173.770 0.05 1 684 151 151 ARG CA C 52.060 0.05 1 685 151 151 ARG CB C 29.540 0.05 1 686 151 151 ARG N N 121.610 0.05 1 687 152 152 ALA H H 8.510 0.005 1 688 152 152 ALA C C 172.260 0.05 1 689 152 152 ALA CA C 50.430 0.05 1 690 152 152 ALA CB C 16.220 0.05 1 691 152 152 ALA N N 126.310 0.05 1 692 153 153 HIS H H 7.220 0.005 1 693 153 153 HIS C C 177.110 0.05 1 694 153 153 HIS CA C 51.190 0.05 1 695 153 153 HIS CB C 34.930 0.05 1 696 153 153 HIS N N 124.660 0.05 1 697 154 154 ALA H H 9.260 0.005 1 698 154 154 ALA C C 179.700 0.05 1 699 154 154 ALA CA C 57.270 0.05 1 700 154 154 ALA CB C 16.340 0.05 1 701 154 154 ALA N N 129.350 0.05 1 702 155 155 SER H H 10.390 0.005 1 703 155 155 SER C C 175.200 0.05 1 704 155 155 SER CA C 60.770 0.05 1 705 155 155 SER CB C 62.880 0.05 1 706 155 155 SER N N 110.700 0.05 1 707 156 156 THR H H 7.230 0.005 1 708 156 156 THR C C 173.570 0.05 1 709 156 156 THR CA C 61.470 0.05 1 710 156 156 THR CB C 70.870 0.05 1 711 156 156 THR N N 111.430 0.05 1 712 157 157 GLU H H 7.860 0.005 1 713 157 157 GLU C C 177.160 0.05 1 714 157 157 GLU CA C 60.560 0.05 1 715 157 157 GLU CB C 31.100 0.05 1 716 157 157 GLU N N 122.510 0.05 1 717 158 158 GLY H H 7.960 0.005 1 718 158 158 GLY C C 177.710 0.05 1 719 158 158 GLY CA C 49.130 0.05 1 720 158 158 GLY N N 109.640 0.05 1 721 159 159 ILE H H 8.390 0.005 1 722 159 159 ILE C C 174.850 0.05 1 723 159 159 ILE CA C 63.340 0.05 1 724 159 159 ILE CB C 36.930 0.05 1 725 159 159 ILE N N 120.140 0.05 1 726 160 160 ALA H H 6.670 0.005 1 727 160 160 ALA C C 176.630 0.05 1 728 160 160 ALA CA C 52.440 0.05 1 729 160 160 ALA CB C 17.880 0.05 1 730 160 160 ALA N N 122.820 0.05 1 731 161 161 HIS H H 7.420 0.005 1 732 161 161 HIS C C 175.050 0.05 1 733 161 161 HIS CA C 55.920 0.05 1 734 161 161 HIS CB C 27.430 0.05 1 735 161 161 HIS N N 113.350 0.05 1 736 162 162 TYR H H 7.700 0.005 1 737 162 162 TYR C C 174.520 0.05 1 738 162 162 TYR CA C 58.340 0.05 1 739 162 162 TYR CB C 40.630 0.05 1 740 162 162 TYR N N 117.310 0.05 1 741 163 163 LEU H H 7.180 0.005 1 742 163 163 LEU C C 173.490 0.05 1 743 163 163 LEU CA C 51.410 0.05 1 744 163 163 LEU CB C 45.290 0.05 1 745 163 163 LEU N N 120.420 0.05 1 746 165 165 ALA H H 7.650 0.005 1 747 165 165 ALA C C 175.710 0.05 1 748 165 165 ALA CA C 50.640 0.05 1 749 165 165 ALA CB C 22.720 0.05 1 750 165 165 ALA N N 127.470 0.05 1 751 166 166 VAL H H 8.670 0.005 1 752 166 166 VAL C C 173.770 0.05 1 753 166 166 VAL CA C 57.480 0.05 1 754 166 166 VAL CB C 34.430 0.05 1 755 166 166 VAL N N 114.100 0.05 1 756 167 167 ALA H H 9.010 0.005 1 757 167 167 ALA C C 178.940 0.05 1 758 167 167 ALA CA C 50.790 0.05 1 759 167 167 ALA CB C 19.380 0.05 1 760 167 167 ALA N N 122.460 0.05 1 761 168 168 GLY H H 7.120 0.005 1 762 168 168 GLY C C 173.430 0.05 1 763 168 168 GLY CA C 43.140 0.05 1 764 168 168 GLY N N 104.540 0.05 1 765 169 169 PHE H H 6.950 0.005 1 766 169 169 PHE C C 179.690 0.05 1 767 169 169 PHE CA C 58.040 0.05 1 768 169 169 PHE CB C 37.530 0.05 1 769 169 169 PHE N N 114.420 0.05 1 770 170 170 LEU H H 10.280 0.005 1 771 170 170 LEU C C 179.470 0.05 1 772 170 170 LEU CA C 58.010 0.05 1 773 170 170 LEU CB C 40.850 0.05 1 774 170 170 LEU N N 128.750 0.05 1 775 171 171 MET H H 8.530 0.005 1 776 171 171 MET C C 177.260 0.05 1 777 171 171 MET CA C 57.610 0.05 1 778 171 171 MET CB C 32.820 0.05 1 779 171 171 MET N N 121.090 0.05 1 780 172 172 GLU H H 8.470 0.005 1 781 172 172 GLU C C 176.990 0.05 1 782 172 172 GLU CA C 59.220 0.05 1 783 172 172 GLU CB C 29.460 0.05 1 784 172 172 GLU N N 117.180 0.05 1 785 173 173 LYS H H 7.310 0.005 1 786 173 173 LYS C C 178.150 0.05 1 787 173 173 LYS CA C 58.610 0.05 1 788 173 173 LYS CB C 31.310 0.05 1 789 173 173 LYS N N 119.050 0.05 1 790 174 174 GLU H H 7.620 0.005 1 791 174 174 GLU C C 178.430 0.05 1 792 174 174 GLU CA C 58.920 0.05 1 793 174 174 GLU CB C 27.200 0.05 1 794 174 174 GLU N N 116.530 0.05 1 795 175 175 LEU H H 7.720 0.005 1 796 175 175 LEU C C 181.180 0.05 1 797 175 175 LEU CA C 56.960 0.05 1 798 175 175 LEU CB C 40.140 0.05 1 799 175 175 LEU N N 114.850 0.05 1 800 176 176 GLU H H 8.540 0.005 1 801 176 176 GLU C C 178.990 0.05 1 802 176 176 GLU CA C 58.910 0.05 1 803 176 176 GLU CB C 29.270 0.05 1 804 176 176 GLU N N 121.210 0.05 1 805 177 177 VAL H H 8.040 0.005 1 806 177 177 VAL C C 178.660 0.05 1 807 177 177 VAL CA C 65.970 0.05 1 808 177 177 VAL CB C 31.320 0.05 1 809 177 177 VAL N N 119.370 0.05 1 810 178 178 LEU H H 8.180 0.005 1 811 178 178 LEU C C 179.110 0.05 1 812 178 178 LEU CA C 57.490 0.05 1 813 178 178 LEU CB C 39.560 0.05 1 814 178 178 LEU N N 118.310 0.05 1 815 179 179 GLY H H 7.500 0.005 1 816 179 179 GLY C C 177.270 0.05 1 817 179 179 GLY CA C 46.600 0.05 1 818 179 179 GLY N N 105.000 0.05 1 819 180 180 LYS H H 7.470 0.005 1 820 180 180 LYS C C 178.420 0.05 1 821 180 180 LYS CA C 59.360 0.05 1 822 180 180 LYS CB C 31.030 0.05 1 823 180 180 LYS N N 124.040 0.05 1 824 181 181 ALA H H 7.370 0.005 1 825 181 181 ALA C C 175.670 0.05 1 826 181 181 ALA CA C 54.280 0.05 1 827 181 181 ALA CB C 16.270 0.05 1 828 181 181 ALA N N 119.960 0.05 1 829 182 182 LEU H H 6.940 0.005 1 830 182 182 LEU C C 178.700 0.05 1 831 182 182 LEU CA C 54.830 0.05 1 832 182 182 LEU CB C 41.410 0.05 1 833 182 182 LEU N N 107.910 0.05 1 834 183 183 SER H H 7.920 0.005 1 835 183 183 SER C C 174.290 0.05 1 836 183 183 SER CA C 59.360 0.05 1 837 183 183 SER CB C 64.190 0.05 1 838 183 183 SER N N 113.290 0.05 1 839 184 184 ASN H H 8.670 0.005 1 840 184 184 ASN C C 170.120 0.05 1 841 184 184 ASN CA C 51.750 0.05 1 842 184 184 ASN CB C 38.390 0.05 1 843 184 184 ASN N N 120.970 0.05 1 844 186 186 ASP H H 6.610 0.005 1 845 186 186 ASP C C 173.570 0.05 1 846 186 186 ASP CA C 54.310 0.05 1 847 186 186 ASP CB C 41.410 0.05 1 848 186 186 ASP N N 120.270 0.05 1 849 187 187 ARG H H 7.760 0.005 1 850 187 187 ARG C C 175.040 0.05 1 851 187 187 ARG CA C 53.320 0.05 1 852 187 187 ARG CB C 30.800 0.05 1 853 187 187 ARG N N 116.260 0.05 1 854 189 189 PHE H H 11.070 0.005 1 855 189 189 PHE CA C 53.100 0.05 1 856 189 189 PHE CB C 38.780 0.05 1 857 189 189 PHE N N 131.330 0.05 1 858 190 190 THR H H 9.610 0.005 1 859 190 190 THR C C 172.250 0.05 1 860 190 190 THR CA C 60.450 0.05 1 861 190 190 THR CB C 70.900 0.05 1 862 190 190 THR N N 130.790 0.05 1 863 191 191 ALA H H 8.060 0.005 1 864 191 191 ALA C C 174.490 0.05 1 865 191 191 ALA CA C 49.080 0.05 1 866 191 191 ALA CB C 22.020 0.05 1 867 191 191 ALA N N 126.720 0.05 1 868 192 192 ILE H H 9.100 0.005 1 869 192 192 ILE C C 174.080 0.05 1 870 192 192 ILE CA C 59.660 0.05 1 871 192 192 ILE CB C 37.610 0.05 1 872 192 192 ILE N N 122.690 0.05 1 873 193 193 ILE H H 9.210 0.005 1 874 193 193 ILE C C 173.770 0.05 1 875 193 193 ILE CA C 57.280 0.05 1 876 193 193 ILE CB C 37.010 0.05 1 877 193 193 ILE N N 130.140 0.05 1 878 194 194 GLY H H 8.440 0.005 1 879 194 194 GLY C C 174.290 0.05 1 880 194 194 GLY CA C 43.730 0.05 1 881 194 194 GLY N N 114.050 0.05 1 882 195 195 GLY H H 7.740 0.005 1 883 195 195 GLY CA C 43.520 0.05 1 884 195 195 GLY N N 107.390 0.05 1 885 197 197 LYS H H 7.710 0.005 1 886 197 197 LYS C C 177.070 0.05 1 887 197 197 LYS CA C 53.860 0.05 1 888 197 197 LYS CB C 34.170 0.05 1 889 197 197 LYS N N 113.230 0.05 1 890 198 198 VAL H H 10.980 0.005 1 891 198 198 VAL C C 179.57 0.05 1 892 198 198 VAL CA C 65.150 0.05 1 893 198 198 VAL CB C 31.310 0.05 1 894 198 198 VAL N N 128.540 0.05 1 895 199 199 LYS H H 9.100 0.005 1 896 199 199 LYS C C 176.960 0.05 1 897 199 199 LYS CA C 59.480 0.05 1 898 199 199 LYS CB C 31.570 0.05 1 899 199 199 LYS N N 118.750 0.05 1 900 200 200 ASP H H 6.880 0.005 1 901 200 200 ASP C C 177.190 0.05 1 902 200 200 ASP CA C 55.380 0.05 1 903 200 200 ASP CB C 40.670 0.05 1 904 200 200 ASP N N 114.300 0.05 1 905 201 201 LYS H H 7.860 0.005 1 906 201 201 LYS C C 176.160 0.05 1 907 201 201 LYS CA C 52.880 0.05 1 908 201 201 LYS CB C 32.840 0.05 1 909 201 201 LYS N N 115.290 0.05 1 910 202 202 ILE H H 7.290 0.005 1 911 202 202 ILE C C 176.560 0.05 1 912 202 202 ILE CA C 65.770 0.05 1 913 202 202 ILE CB C 37.520 0.05 1 914 202 202 ILE N N 120.740 0.05 1 915 203 203 GLY H H 8.390 0.005 1 916 203 203 GLY C C 177.390 0.05 1 917 203 203 GLY CA C 46.680 0.05 1 918 203 203 GLY N N 107.510 0.05 1 919 204 204 VAL H H 8.290 0.005 1 920 204 204 VAL C C 176.760 0.05 1 921 204 204 VAL CA C 65.170 0.05 1 922 204 204 VAL CB C 30.760 0.05 1 923 204 204 VAL N N 123.590 0.05 1 924 205 205 ILE H H 8.110 0.005 1 925 205 205 ILE C C 176.590 0.05 1 926 205 205 ILE CA C 66.500 0.05 1 927 205 205 ILE CB C 36.750 0.05 1 928 205 205 ILE N N 122.010 0.05 1 929 206 206 ASP H H 7.950 0.005 1 930 206 206 ASP C C 178.590 0.05 1 931 206 206 ASP CA C 57.680 0.05 1 932 206 206 ASP CB C 41.690 0.05 1 933 206 206 ASP N N 117.070 0.05 1 934 207 207 ASN H H 7.630 0.005 1 935 207 207 ASN C C 178.310 0.05 1 936 207 207 ASN CA C 56.160 0.05 1 937 207 207 ASN CB C 39.570 0.05 1 938 207 207 ASN N N 113.010 0.05 1 939 208 208 LEU H H 8.580 0.005 1 940 208 208 LEU C C 180.290 0.05 1 941 208 208 LEU CA C 57.050 0.05 1 942 208 208 LEU CB C 39.050 0.05 1 943 208 208 LEU N N 115.880 0.05 1 944 209 209 LEU H H 8.250 0.005 1 945 209 209 LEU C C 176.470 0.05 1 946 209 209 LEU CA C 57.920 0.05 1 947 209 209 LEU CB C 41.440 0.05 1 948 209 209 LEU N N 121.870 0.05 1 949 210 210 GLU H H 7.170 0.005 1 950 210 210 GLU C C 176.830 0.05 1 951 210 210 GLU CA C 56.360 0.05 1 952 210 210 GLU CB C 29.280 0.05 1 953 210 210 GLU N N 112.100 0.05 1 954 211 211 LYS H H 7.830 0.005 1 955 211 211 LYS C C 177.120 0.05 1 956 211 211 LYS CA C 56.160 0.05 1 957 211 211 LYS CB C 36.440 0.05 1 958 211 211 LYS N N 116.310 0.05 1 959 212 212 VAL H H 7.640 0.005 1 960 212 212 VAL C C 174.930 0.05 1 961 212 212 VAL CA C 60.780 0.05 1 962 212 212 VAL CB C 32.060 0.05 1 963 212 212 VAL N N 110.510 0.05 1 964 213 213 ASP H H 9.120 0.005 1 965 213 213 ASP C C 175.840 0.05 1 966 213 213 ASP CA C 56.920 0.05 1 967 213 213 ASP CB C 43.260 0.05 1 968 213 213 ASP N N 116.460 0.05 1 969 214 214 ASN H H 7.700 0.005 1 970 214 214 ASN C C 172.850 0.05 1 971 214 214 ASN CA C 51.110 0.05 1 972 214 214 ASN CB C 42.200 0.05 1 973 214 214 ASN N N 114.100 0.05 1 974 215 215 LEU H H 9.120 0.005 1 975 215 215 LEU C C 172.770 0.05 1 976 215 215 LEU CA C 53.280 0.05 1 977 215 215 LEU CB C 44.210 0.05 1 978 215 215 LEU N N 126.430 0.05 1 979 216 216 ILE H H 8.890 0.005 1 980 216 216 ILE C C 174.600 0.05 1 981 216 216 ILE CA C 59.580 0.05 1 982 216 216 ILE CB C 38.310 0.05 1 983 216 216 ILE N N 126.670 0.05 1 984 217 217 ILE H H 7.850 0.005 1 985 217 217 ILE C C 175.920 0.05 1 986 217 217 ILE CA C 57.410 0.05 1 987 217 217 ILE CB C 40.900 0.05 1 988 217 217 ILE N N 118.790 0.05 1 989 218 218 GLY H H 8.070 0.005 1 990 218 218 GLY C C 171.020 0.05 1 991 218 218 GLY CA C 43.960 0.05 1 992 218 218 GLY N N 108.810 0.05 1 993 219 219 GLY H H 6.580 0.005 1 994 219 219 GLY C C 173.720 0.05 1 995 219 219 GLY CA C 44.500 0.05 1 996 219 219 GLY N N 103.950 0.05 1 997 220 220 GLY H H 8.180 0.005 1 998 220 220 GLY C C 177.110 0.05 1 999 220 220 GLY CA C 47.130 0.05 1 1000 220 220 GLY N N 107.700 0.05 1 1001 221 221 LEU H H 8.880 0.005 1 1002 221 221 LEU C C 177.430 0.05 1 1003 221 221 LEU CA C 57.230 0.05 1 1004 221 221 LEU CB C 40.880 0.05 1 1005 221 221 LEU N N 121.950 0.05 1 1006 222 222 ALA H H 7.610 0.005 1 1007 222 222 ALA C C 180.050 0.05 1 1008 222 222 ALA CA C 53.740 0.05 1 1009 222 222 ALA CB C 16.620 0.05 1 1010 222 222 ALA N N 118.090 0.05 1 1011 223 223 TYR H H 7.220 0.005 1 1012 223 223 TYR C C 177.040 0.05 1 1013 223 223 TYR CA C 61.770 0.05 1 1014 223 223 TYR CB C 34.440 0.05 1 1015 223 223 TYR N N 117.100 0.05 1 1016 224 224 THR H H 7.470 0.005 1 1017 224 224 THR C C 175.550 0.05 1 1018 224 224 THR CA C 67.510 0.05 1 1019 224 224 THR CB C 68.380 0.05 1 1020 224 224 THR N N 119.350 0.05 1 1021 225 225 PHE H H 7.100 0.005 1 1022 225 225 PHE C C 177.070 0.05 1 1023 225 225 PHE CA C 61.220 0.05 1 1024 225 225 PHE CB C 37.750 0.05 1 1025 225 225 PHE N N 120.730 0.05 1 1026 226 226 VAL H H 8.040 0.005 1 1027 226 226 VAL C C 178.190 0.05 1 1028 226 226 VAL CA C 66.820 0.05 1 1029 226 226 VAL CB C 31.510 0.05 1 1030 226 226 VAL N N 119.630 0.05 1 1031 227 227 LYS H H 7.930 0.005 1 1032 227 227 LYS C C 181.190 0.05 1 1033 227 227 LYS CA C 56.840 0.05 1 1034 227 227 LYS CB C 31.550 0.05 1 1035 227 227 LYS N N 121.020 0.05 1 1036 228 228 ALA H H 7.800 0.005 1 1037 228 228 ALA C C 178.580 0.05 1 1038 228 228 ALA CA C 54.190 0.05 1 1039 228 228 ALA CB C 17.650 0.05 1 1040 228 228 ALA N N 123.470 0.05 1 1041 229 229 LEU H H 7.460 0.005 1 1042 229 229 LEU C C 177.270 0.05 1 1043 229 229 LEU CA C 55.050 0.05 1 1044 229 229 LEU CB C 41.440 0.05 1 1045 229 229 LEU N N 117.440 0.05 1 1046 230 230 GLY H H 7.900 0.005 1 1047 230 230 GLY C C 174.090 0.05 1 1048 230 230 GLY CA C 44.160 0.05 1 1049 230 230 GLY N N 105.760 0.05 1 1050 231 231 HIS H H 6.960 0.005 1 1051 231 231 HIS C C 174.160 0.05 1 1052 231 231 HIS CA C 54.380 0.05 1 1053 231 231 HIS CB C 30.500 0.05 1 1054 231 231 HIS N N 120.710 0.05 1 1055 232 232 ASP H H 8.580 0.005 1 1056 232 232 ASP C C 177.270 0.05 1 1057 232 232 ASP CA C 54.390 0.05 1 1058 232 232 ASP CB C 41.710 0.05 1 1059 232 232 ASP N N 121.300 0.05 1 1060 233 233 VAL H H 8.140 0.005 1 1061 233 233 VAL C C 177.000 0.05 1 1062 233 233 VAL CA C 58.920 0.05 1 1063 233 233 VAL CB C 30.530 0.05 1 1064 233 233 VAL N N 111.380 0.05 1 1065 234 234 GLY H H 8.580 0.005 1 1066 234 234 GLY C C 176.050 0.05 1 1067 234 234 GLY CA C 48.000 0.05 1 1068 234 234 GLY N N 117.090 0.05 1 1069 235 235 LYS H H 8.730 0.005 1 1070 235 235 LYS C C 176.750 0.05 1 1071 235 235 LYS CA C 54.740 0.05 1 1072 235 235 LYS CB C 30.800 0.05 1 1073 235 235 LYS N N 127.450 0.05 1 1074 236 236 SER H H 7.970 0.005 1 1075 236 236 SER C C 172.610 0.05 1 1076 236 236 SER CA C 59.220 0.05 1 1077 236 236 SER CB C 62.600 0.05 1 1078 236 236 SER N N 116.320 0.05 1 1079 237 237 LEU H H 8.090 0.005 1 1080 237 237 LEU C C 176.270 0.05 1 1081 237 237 LEU CA C 56.180 0.05 1 1082 237 237 LEU CB C 40.680 0.05 1 1083 237 237 LEU N N 125.130 0.05 1 1084 238 238 LEU H H 8.090 0.005 1 1085 238 238 LEU C C 176.200 0.05 1 1086 238 238 LEU CA C 53.630 0.05 1 1087 238 238 LEU CB C 44.520 0.05 1 1088 238 238 LEU N N 122.980 0.05 1 1089 239 239 GLU H H 7.570 0.005 1 1090 239 239 GLU C C 176.590 0.05 1 1091 239 239 GLU CA C 54.600 0.05 1 1092 239 239 GLU CB C 29.270 0.05 1 1093 239 239 GLU N N 123.570 0.05 1 1094 240 240 GLU H H 8.910 0.005 1 1095 240 240 GLU C C 177.550 0.05 1 1096 240 240 GLU CA C 59.600 0.05 1 1097 240 240 GLU CB C 28.970 0.05 1 1098 240 240 GLU N N 124.920 0.05 1 1099 241 241 ASP H H 8.850 0.005 1 1100 241 241 ASP C C 177.030 0.05 1 1101 241 241 ASP CA C 54.150 0.05 1 1102 241 241 ASP CB C 38.900 0.05 1 1103 241 241 ASP N N 115.970 0.05 1 1104 242 242 LYS H H 7.910 0.005 1 1105 242 242 LYS C C 175.670 0.05 1 1106 242 242 LYS CA C 53.740 0.05 1 1107 242 242 LYS CB C 31.610 0.05 1 1108 242 242 LYS N N 118.220 0.05 1 1109 243 243 ILE H H 7.230 0.005 1 1110 243 243 ILE C C 177.390 0.05 1 1111 243 243 ILE CA C 65.220 0.05 1 1112 243 243 ILE CB C 36.740 0.05 1 1113 243 243 ILE N N 123.240 0.05 1 1114 244 244 GLU H H 8.310 0.005 1 1115 244 244 GLU C C 179.580 0.05 1 1116 244 244 GLU CA C 59.020 0.05 1 1117 244 244 GLU CB C 27.670 0.05 1 1118 244 244 GLU N N 118.710 0.05 1 1119 245 245 LEU H H 7.510 0.005 1 1120 245 245 LEU C C 178.380 0.05 1 1121 245 245 LEU CA C 56.800 0.05 1 1122 245 245 LEU CB C 40.320 0.05 1 1123 245 245 LEU N N 123.130 0.05 1 1124 246 246 ALA H H 8.040 0.005 1 1125 246 246 ALA C C 179.580 0.05 1 1126 246 246 ALA CA C 55.280 0.05 1 1127 246 246 ALA CB C 15.010 0.05 1 1128 246 246 ALA N N 122.550 0.05 1 1129 247 247 LYS H H 7.830 0.005 1 1130 247 247 LYS C C 179.300 0.05 1 1131 247 247 LYS CA C 59.890 0.05 1 1132 247 247 LYS CB C 31.480 0.05 1 1133 247 247 LYS N N 117.340 0.05 1 1134 248 248 SER H H 8.020 0.005 1 1135 248 248 SER C C 177.82 0.05 1 1136 248 248 SER CA C 61.340 0.05 1 1137 248 248 SER CB C 62.570 0.05 1 1138 248 248 SER N N 117.010 0.05 1 1139 249 249 PHE H H 8.460 0.005 1 1140 249 249 PHE C C 178.190 0.05 1 1141 249 249 PHE CA C 58.720 0.05 1 1142 249 249 PHE CB C 37.530 0.05 1 1143 249 249 PHE N N 123.010 0.05 1 1144 250 250 MET H H 7.850 0.005 1 1145 250 250 MET C C 179.260 0.05 1 1146 250 250 MET CA C 60.010 0.05 1 1147 250 250 MET CB C 32.040 0.05 1 1148 250 250 MET N N 118.780 0.05 1 1149 251 251 GLU H H 8.120 0.005 1 1150 251 251 GLU C C 178.820 0.05 1 1151 251 251 GLU CA C 58.830 0.05 1 1152 251 251 GLU CB C 28.510 0.05 1 1153 251 251 GLU N N 121.340 0.05 1 1154 252 252 LYS H H 8.450 0.005 1 1155 252 252 LYS C C 178.510 0.05 1 1156 252 252 LYS CA C 59.120 0.05 1 1157 252 252 LYS CB C 31.290 0.05 1 1158 252 252 LYS N N 123.000 0.05 1 1159 253 253 ALA H H 8.220 0.005 1 1160 253 253 ALA C C 178.700 0.05 1 1161 253 253 ALA CA C 55.300 0.05 1 1162 253 253 ALA CB C 16.770 0.05 1 1163 253 253 ALA N N 120.070 0.05 1 1164 254 254 LYS H H 7.310 0.005 1 1165 254 254 LYS C C 180.420 0.05 1 1166 254 254 LYS CA C 59.110 0.05 1 1167 254 254 LYS CB C 31.300 0.05 1 1168 254 254 LYS N N 117.590 0.05 1 1169 255 255 GLU H H 8.180 0.005 1 1170 255 255 GLU C C 178.740 0.05 1 1171 255 255 GLU CA C 58.820 0.05 1 1172 255 255 GLU CB C 29.020 0.05 1 1173 255 255 GLU N N 121.510 0.05 1 1174 256 256 LYS H H 8.020 0.005 1 1175 256 256 LYS C C 176.870 0.05 1 1176 256 256 LYS CA C 55.170 0.05 1 1177 256 256 LYS CB C 32.140 0.05 1 1178 256 256 LYS N N 116.230 0.05 1 1179 257 257 GLY H H 7.790 0.005 1 1180 257 257 GLY C C 174.640 0.05 1 1181 257 257 GLY CA C 45.710 0.05 1 1182 257 257 GLY N N 109.070 0.05 1 1183 258 258 VAL H H 8.250 0.005 1 1184 258 258 VAL C C 176.520 0.05 1 1185 258 258 VAL CA C 61.580 0.05 1 1186 258 258 VAL CB C 33.120 0.05 1 1187 258 258 VAL N N 123.340 0.05 1 1188 259 259 ARG H H 7.920 0.005 1 1189 259 259 ARG C C 173.050 0.05 1 1190 259 259 ARG CA C 56.490 0.05 1 1191 259 259 ARG CB C 28.760 0.05 1 1192 259 259 ARG N N 128.620 0.05 1 1193 260 260 PHE H H 8.070 0.005 1 1194 260 260 PHE C C 174.600 0.05 1 1195 260 260 PHE CA C 55.930 0.05 1 1196 260 260 PHE CB C 41.410 0.05 1 1197 260 260 PHE N N 129.780 0.05 1 1198 261 261 TYR H H 9.070 0.005 1 1199 261 261 TYR C C 172.300 0.05 1 1200 261 261 TYR CA C 57.720 0.05 1 1201 261 261 TYR CB C 40.600 0.05 1 1202 261 261 TYR N N 128.380 0.05 1 1203 262 262 MET H H 7.900 0.005 1 1204 262 262 MET C C 172.570 0.05 1 1205 262 262 MET CA C 52.860 0.05 1 1206 262 262 MET CB C 34.210 0.05 1 1207 262 262 MET N N 119.290 0.05 1 1208 264 264 VAL H H 8.010 0.005 1 1209 264 264 VAL C C 176.680 0.05 1 1210 264 264 VAL CA C 60.040 0.05 1 1211 264 264 VAL CB C 31.630 0.05 1 1212 264 264 VAL N N 112.770 0.05 1 1213 265 265 ASP H H 8.130 0.005 1 1214 265 265 ASP C C 174.610 0.05 1 1215 265 265 ASP CA C 52.410 0.05 1 1216 265 265 ASP CB C 40.410 0.05 1 1217 265 265 ASP N N 122.780 0.05 1 1218 266 266 VAL H H 8.960 0.005 1 1219 266 266 VAL C C 173.770 0.05 1 1220 266 266 VAL CA C 59.460 0.05 1 1221 266 266 VAL CB C 36.200 0.05 1 1222 266 266 VAL N N 114.170 0.05 1 1223 267 267 VAL H H 8.520 0.005 1 1224 267 267 VAL C C 176.110 0.05 1 1225 267 267 VAL CA C 61.650 0.05 1 1226 267 267 VAL CB C 31.550 0.05 1 1227 267 267 VAL N N 122.590 0.05 1 1228 268 268 VAL H H 9.260 0.005 1 1229 268 268 VAL C C 174.480 0.05 1 1230 268 268 VAL CA C 56.820 0.05 1 1231 268 268 VAL CB C 33.370 0.05 1 1232 268 268 VAL N N 119.750 0.05 1 1233 269 269 ALA H H 8.900 0.005 1 1234 269 269 ALA C C 177.870 0.05 1 1235 269 269 ALA CA C 49.780 0.05 1 1236 269 269 ALA CB C 24.810 0.05 1 1237 269 269 ALA N N 122.640 0.05 1 1238 270 270 ASP H H 8.570 0.005 1 1239 270 270 ASP C C 175.010 0.05 1 1240 270 270 ASP CA C 53.950 0.05 1 1241 270 270 ASP CB C 38.770 0.05 1 1242 270 270 ASP N N 121.530 0.05 1 1243 271 271 ARG H H 7.460 0.005 1 1244 271 271 ARG C C 173.570 0.05 1 1245 271 271 ARG CA C 54.190 0.05 1 1246 271 271 ARG CB C 32.100 0.05 1 1247 271 271 ARG N N 117.890 0.05 1 1248 273 273 ALA H H 7.490 0.005 1 1249 273 273 ALA C C 176.840 0.05 1 1250 273 273 ALA CA C 51.540 0.05 1 1251 273 273 ALA CB C 21.690 0.05 1 1252 273 273 ALA N N 125.000 0.05 1 1253 275 275 ASP H H 8.190 0.005 1 1254 275 275 ASP C C 175.490 0.05 1 1255 275 275 ASP CA C 51.850 0.05 1 1256 275 275 ASP CB C 38.610 0.05 1 1257 275 275 ASP N N 115.240 0.05 1 1258 276 276 ALA H H 6.970 0.005 1 1259 276 276 ALA C C 177.710 0.05 1 1260 276 276 ALA CA C 51.860 0.05 1 1261 276 276 ALA CB C 20.690 0.05 1 1262 276 276 ALA N N 120.390 0.05 1 1263 277 277 ASN H H 8.740 0.005 1 1264 277 277 ASN C C 175.280 0.05 1 1265 277 277 ASN CA C 53.980 0.05 1 1266 277 277 ASN CB C 38.570 0.05 1 1267 277 277 ASN N N 120.600 0.05 1 1268 278 278 THR H H 8.150 0.005 1 1269 278 278 THR C C 174.920 0.05 1 1270 278 278 THR CA C 59.030 0.05 1 1271 278 278 THR CB C 72.430 0.05 1 1272 278 278 THR N N 113.680 0.05 1 1273 279 279 LYS H H 8.670 0.005 1 1274 279 279 LYS C C 173.890 0.05 1 1275 279 279 LYS CA C 54.810 0.05 1 1276 279 279 LYS CB C 35.670 0.05 1 1277 279 279 LYS N N 118.330 0.05 1 1278 280 280 VAL H H 8.280 0.005 1 1279 280 280 VAL C C 176.760 0.05 1 1280 280 280 VAL CA C 61.240 0.05 1 1281 280 280 VAL CB C 31.580 0.05 1 1282 280 280 VAL N N 122.210 0.05 1 1283 281 281 VAL H H 8.720 0.005 1 1284 281 281 VAL C C 172.730 0.05 1 1285 281 281 VAL CA C 56.620 0.05 1 1286 281 281 VAL CB C 32.900 0.05 1 1287 281 281 VAL N N 120.260 0.05 1 1288 283 283 ILE H H 6.990 0.005 1 1289 283 283 ILE C C 173.250 0.05 1 1290 283 283 ILE CA C 60.880 0.05 1 1291 283 283 ILE CB C 38.800 0.05 1 1292 283 283 ILE N N 116.300 0.05 1 1293 284 284 ASP H H 7.650 0.005 1 1294 284 284 ASP C C 175.840 0.05 1 1295 284 284 ASP CA C 52.190 0.05 1 1296 284 284 ASP CB C 39.290 0.05 1 1297 284 284 ASP N N 115.370 0.05 1 1298 285 285 ALA H H 7.700 0.005 1 1299 285 285 ALA C C 176.470 0.05 1 1300 285 285 ALA CA C 50.200 0.05 1 1301 285 285 ALA CB C 18.660 0.05 1 1302 285 285 ALA N N 125.430 0.05 1 1303 286 286 ILE H H 8.670 0.005 1 1304 286 286 ILE C C 174.760 0.05 1 1305 286 286 ILE CA C 60.990 0.05 1 1306 286 286 ILE CB C 36.790 0.05 1 1307 286 286 ILE N N 124.280 0.05 1 1308 288 288 ALA H H 8.080 0.005 1 1309 288 288 ALA C C 178.270 0.05 1 1310 288 288 ALA CA C 54.500 0.05 1 1311 288 288 ALA CB C 18.360 0.05 1 1312 288 288 ALA N N 122.080 0.05 1 1313 289 289 ASP H H 8.620 0.005 1 1314 289 289 ASP C C 175.350 0.05 1 1315 289 289 ASP CA C 53.510 0.05 1 1316 289 289 ASP CB C 39.320 0.05 1 1317 289 289 ASP N N 110.900 0.05 1 1318 290 290 TYR H H 7.830 0.005 1 1319 290 290 TYR C C 174.520 0.05 1 1320 290 290 TYR CA C 56.600 0.05 1 1321 290 290 TYR CB C 40.650 0.05 1 1322 290 290 TYR N N 120.770 0.05 1 1323 291 291 SER H H 8.540 0.005 1 1324 291 291 SER C C 173.330 0.05 1 1325 291 291 SER CA C 56.380 0.05 1 1326 291 291 SER CB C 64.740 0.05 1 1327 291 291 SER N N 112.980 0.05 1 1328 292 292 ALA H H 8.320 0.005 1 1329 292 292 ALA C C 175.800 0.05 1 1330 292 292 ALA CA C 51.770 0.05 1 1331 292 292 ALA CB C 16.530 0.05 1 1332 292 292 ALA N N 127.480 0.05 1 1333 293 293 LEU H H 8.150 0.005 1 1334 293 293 LEU C C 175.750 0.05 1 1335 293 293 LEU CA C 54.630 0.05 1 1336 293 293 LEU CB C 43.760 0.05 1 1337 293 293 LEU N N 124.070 0.05 1 1338 294 294 ASP H H 7.890 0.005 1 1339 294 294 ASP C C 176.670 0.05 1 1340 294 294 ASP CA C 53.410 0.05 1 1341 294 294 ASP CB C 42.900 0.05 1 1342 294 294 ASP N N 115.110 0.05 1 1343 295 295 ILE H H 8.610 0.005 1 1344 295 295 ILE C C 177.080 0.05 1 1345 295 295 ILE CA C 61.650 0.05 1 1346 295 295 ILE CB C 38.260 0.05 1 1347 295 295 ILE N N 115.820 0.05 1 1348 296 296 GLY H H 7.910 0.005 1 1349 296 296 GLY C C 180.500 0.05 1 1350 296 296 GLY CA C 44.940 0.05 1 1351 296 296 GLY N N 111.110 0.05 1 1352 298 298 LYS H H 10.390 0.005 1 1353 298 298 LYS C C 180.450 0.05 1 1354 298 298 LYS CA C 58.820 0.05 1 1355 298 298 LYS CB C 30.260 0.05 1 1356 298 298 LYS N N 123.930 0.05 1 1357 299 299 THR H H 9.140 0.005 1 1358 299 299 THR C C 175.040 0.05 1 1359 299 299 THR CA C 67.090 0.05 1 1360 299 299 THR CB C 67.620 0.05 1 1361 299 299 THR N N 121.340 0.05 1 1362 300 300 ARG H H 7.830 0.005 1 1363 300 300 ARG C C 178.060 0.05 1 1364 300 300 ARG CA C 59.770 0.05 1 1365 300 300 ARG CB C 30.300 0.05 1 1366 300 300 ARG N N 119.490 0.05 1 1367 301 301 GLU H H 7.230 0.005 1 1368 301 301 GLU C C 177.440 0.05 1 1369 301 301 GLU CA C 59.220 0.05 1 1370 301 301 GLU CB C 28.990 0.05 1 1371 301 301 GLU N N 118.700 0.05 1 1372 302 302 LEU H H 7.670 0.005 1 1373 302 302 LEU C C 178.670 0.05 1 1374 302 302 LEU CA C 57.460 0.05 1 1375 302 302 LEU CB C 41.370 0.05 1 1376 302 302 LEU N N 121.790 0.05 1 1377 303 303 TYR H H 8.710 0.005 1 1378 303 303 TYR C C 178.140 0.05 1 1379 303 303 TYR CA C 57.360 0.05 1 1380 303 303 TYR CB C 34.150 0.05 1 1381 303 303 TYR N N 117.640 0.05 1 1382 304 304 ARG H H 7.830 0.005 1 1383 304 304 ARG C C 177.230 0.05 1 1384 304 304 ARG CA C 59.570 0.05 1 1385 304 304 ARG CB C 28.700 0.05 1 1386 304 304 ARG N N 119.960 0.05 1 1387 305 305 ASP H H 7.740 0.005 1 1388 305 305 ASP C C 178.660 0.05 1 1389 305 305 ASP CA C 57.390 0.05 1 1390 305 305 ASP CB C 39.060 0.05 1 1391 305 305 ASP N N 120.700 0.05 1 1392 306 306 VAL H H 7.500 0.005 1 1393 306 306 VAL C C 180.180 0.05 1 1394 306 306 VAL CA C 65.430 0.05 1 1395 306 306 VAL CB C 30.550 0.05 1 1396 306 306 VAL N N 120.530 0.05 1 1397 307 307 ILE H H 8.070 0.005 1 1398 307 307 ILE C C 177.42 0.05 1 1399 307 307 ILE CA C 66.500 0.05 1 1400 307 307 ILE CB C 36.780 0.05 1 1401 307 307 ILE N N 123.140 0.05 1 1402 308 308 ARG H H 8.020 0.005 1 1403 308 308 ARG C C 177.780 0.05 1 1404 308 308 ARG CA C 58.710 0.05 1 1405 308 308 ARG CB C 29.520 0.05 1 1406 308 308 ARG N N 116.240 0.05 1 1407 309 309 GLU H H 7.080 0.005 1 1408 309 309 GLU C C 176.680 0.05 1 1409 309 309 GLU CA C 55.590 0.05 1 1410 309 309 GLU CB C 29.280 0.05 1 1411 309 309 GLU N N 117.020 0.05 1 1412 310 310 SER H H 7.680 0.005 1 1413 310 310 SER C C 172.930 0.05 1 1414 310 310 SER CA C 58.570 0.05 1 1415 310 310 SER CB C 63.900 0.05 1 1416 310 310 SER N N 115.280 0.05 1 1417 311 311 LYS H H 9.220 0.005 1 1418 311 311 LYS C C 176.800 0.05 1 1419 311 311 LYS CA C 55.810 0.05 1 1420 311 311 LYS CB C 32.880 0.05 1 1421 311 311 LYS N N 124.050 0.05 1 1422 312 312 LEU H H 7.890 0.005 1 1423 312 312 LEU C C 174.880 0.05 1 1424 312 312 LEU CA C 54.530 0.05 1 1425 312 312 LEU CB C 44.380 0.05 1 1426 312 312 LEU N N 125.120 0.05 1 1427 313 313 VAL H H 9.190 0.005 1 1428 313 313 VAL C C 174.840 0.05 1 1429 313 313 VAL CA C 59.360 0.05 1 1430 313 313 VAL CB C 34.670 0.05 1 1431 313 313 VAL N N 127.260 0.05 1 1432 314 314 VAL H H 8.370 0.005 1 1433 314 314 VAL C C 174.220 0.05 1 1434 314 314 VAL CA C 59.600 0.05 1 1435 314 314 VAL CB C 33.430 0.05 1 1436 314 314 VAL N N 124.360 0.05 1 1437 315 315 TRP H H 9.280 0.005 1 1438 315 315 TRP C C 174.090 0.05 1 1439 315 315 TRP CA C 52.990 0.05 1 1440 315 315 TRP CB C 31.030 0.05 1 1441 315 315 TRP N N 129.170 0.05 1 1442 316 316 ASN H H 9.310 0.005 1 1443 316 316 ASN C C 174.090 0.05 1 1444 316 316 ASN CA C 52.660 0.05 1 1445 316 316 ASN CB C 40.120 0.05 1 1446 316 316 ASN N N 127.310 0.05 1 1447 319 319 MET H H 7.910 0.005 1 1448 319 319 MET C C 174.530 0.05 1 1449 319 319 MET CA C 54.160 0.05 1 1450 319 319 MET CB C 36.760 0.05 1 1451 319 319 MET N N 114.440 0.05 1 1452 320 320 GLY H H 7.470 0.005 1 1453 320 320 GLY C C 173.730 0.05 1 1454 320 320 GLY CA C 45.340 0.05 1 1455 320 320 GLY N N 106.870 0.05 1 1456 321 321 VAL H H 8.070 0.005 1 1457 321 321 VAL C C 175.080 0.05 1 1458 321 321 VAL CA C 61.560 0.05 1 1459 321 321 VAL CB C 28.970 0.05 1 1460 321 321 VAL N N 123.140 0.05 1 1461 322 322 PHE H H 8.130 0.005 1 1462 322 322 PHE C C 173.730 0.05 1 1463 322 322 PHE CA C 58.930 0.05 1 1464 322 322 PHE CB C 38.050 0.05 1 1465 322 322 PHE N N 122.540 0.05 1 1466 323 323 GLU H H 9.020 0.005 1 1467 323 323 GLU C C 177.030 0.05 1 1468 323 323 GLU CA C 58.090 0.05 1 1469 323 323 GLU CB C 27.730 0.05 1 1470 323 323 GLU N N 121.240 0.05 1 1471 324 324 MET H H 7.940 0.005 1 1472 324 324 MET C C 175.610 0.05 1 1473 324 324 MET CA C 54.490 0.05 1 1474 324 324 MET CB C 33.950 0.05 1 1475 324 324 MET N N 120.600 0.05 1 1476 325 325 ASP H H 8.430 0.005 1 1477 325 325 ASP C C 178.340 0.05 1 1478 325 325 ASP CA C 57.700 0.05 1 1479 325 325 ASP CB C 40.090 0.05 1 1480 325 325 ASP N N 125.570 0.05 1 1481 326 326 ALA H H 8.710 0.005 1 1482 326 326 ALA C C 178.540 0.05 1 1483 326 326 ALA CA C 53.650 0.05 1 1484 326 326 ALA CB C 17.030 0.05 1 1485 326 326 ALA N N 118.900 0.05 1 1486 327 327 PHE H H 7.660 0.005 1 1487 327 327 PHE C C 174.560 0.05 1 1488 327 327 PHE CA C 55.060 0.05 1 1489 327 327 PHE CB C 37.550 0.05 1 1490 327 327 PHE N N 114.840 0.05 1 1491 328 328 ALA H H 7.090 0.005 1 1492 328 328 ALA C C 177.790 0.05 1 1493 328 328 ALA CA C 52.510 0.05 1 1494 328 328 ALA CB C 19.920 0.05 1 1495 328 328 ALA N N 119.120 0.05 1 1496 329 329 HIS H H 7.260 0.005 1 1497 329 329 HIS C C 179.270 0.05 1 1498 329 329 HIS CA C 59.560 0.05 1 1499 329 329 HIS CB C 29.990 0.05 1 1500 329 329 HIS N N 118.220 0.05 1 1501 330 330 GLY H H 11.670 0.005 1 1502 330 330 GLY CA C 46.850 0.05 1 1503 330 330 GLY N N 115.240 0.05 1 1504 332 332 LYS H H 8.370 0.005 1 1505 332 332 LYS C C 177.150 0.05 1 1506 332 332 LYS CA C 59.690 0.05 1 1507 332 332 LYS CB C 31.110 0.05 1 1508 332 332 LYS N N 124.360 0.05 1 1509 333 333 ALA H H 7.970 0.005 1 1510 333 333 ALA C C 180.630 0.05 1 1511 333 333 ALA CA C 54.180 0.05 1 1512 333 333 ALA CB C 16.820 0.05 1 1513 333 333 ALA N N 118.800 0.05 1 1514 334 334 ILE H H 6.940 0.005 1 1515 334 334 ILE C C 176.470 0.05 1 1516 334 334 ILE CA C 61.540 0.05 1 1517 334 334 ILE CB C 34.440 0.05 1 1518 334 334 ILE N N 118.570 0.05 1 1519 335 335 ALA H H 7.350 0.005 1 1520 335 335 ALA C C 178.830 0.05 1 1521 335 335 ALA CA C 55.140 0.05 1 1522 335 335 ALA CB C 17.880 0.05 1 1523 335 335 ALA N N 121.980 0.05 1 1524 336 336 GLU H H 8.830 0.005 1 1525 336 336 GLU C C 178.510 0.05 1 1526 336 336 GLU CA C 59.250 0.05 1 1527 336 336 GLU CB C 29.190 0.05 1 1528 336 336 GLU N N 117.080 0.05 1 1529 337 337 ALA H H 7.680 0.005 1 1530 337 337 ALA C C 180.330 0.05 1 1531 337 337 ALA CA C 54.060 0.05 1 1532 337 337 ALA CB C 17.590 0.05 1 1533 337 337 ALA N N 120.830 0.05 1 1534 338 338 LEU H H 7.780 0.005 1 1535 338 338 LEU C C 179.190 0.05 1 1536 338 338 LEU CA C 57.020 0.05 1 1537 338 338 LEU CB C 40.670 0.05 1 1538 338 338 LEU N N 116.630 0.05 1 1539 339 339 ALA H H 8.180 0.005 1 1540 339 339 ALA C C 179.020 0.05 1 1541 339 339 ALA CA C 54.340 0.05 1 1542 339 339 ALA CB C 18.940 0.05 1 1543 339 339 ALA N N 121.870 0.05 1 1544 340 340 GLU H H 7.600 0.005 1 1545 340 340 GLU C C 175.880 0.05 1 1546 340 340 GLU CA C 55.770 0.05 1 1547 340 340 GLU CB C 29.530 0.05 1 1548 340 340 GLU N N 114.690 0.05 1 1549 341 341 ALA H H 7.090 0.005 1 1550 341 341 ALA C C 176.910 0.05 1 1551 341 341 ALA CA C 51.100 0.05 1 1552 341 341 ALA CB C 15.730 0.05 1 1553 341 341 ALA N N 125.650 0.05 1 1554 342 342 LEU H H 7.860 0.005 1 1555 342 342 LEU C C 178.550 0.05 1 1556 342 342 LEU CA C 57.220 0.05 1 1557 342 342 LEU CB C 40.910 0.05 1 1558 342 342 LEU N N 124.520 0.05 1 1559 343 343 ASP H H 8.360 0.005 1 1560 343 343 ASP C C 174.930 0.05 1 1561 343 343 ASP CA C 53.750 0.05 1 1562 343 343 ASP CB C 40.890 0.05 1 1563 343 343 ASP N N 117.320 0.05 1 1564 344 344 THR H H 7.230 0.005 1 1565 344 344 THR C C 172.410 0.05 1 1566 344 344 THR CA C 62.080 0.05 1 1567 344 344 THR CB C 69.860 0.05 1 1568 344 344 THR N N 118.870 0.05 1 1569 345 345 TYR H H 8.340 0.005 1 1570 345 345 TYR C C 174.720 0.05 1 1571 345 345 TYR CA C 57.260 0.05 1 1572 345 345 TYR CB C 38.280 0.05 1 1573 345 345 TYR N N 132.280 0.05 1 1574 346 346 SER H H 9.870 0.005 1 1575 346 346 SER C C 172.930 0.05 1 1576 346 346 SER CA C 55.920 0.05 1 1577 346 346 SER CB C 65.270 0.05 1 1578 346 346 SER N N 124.830 0.05 1 1579 347 347 VAL H H 8.840 0.005 1 1580 347 347 VAL C C 174.410 0.05 1 1581 347 347 VAL CA C 60.560 0.05 1 1582 347 347 VAL CB C 32.390 0.05 1 1583 347 347 VAL N N 123.450 0.05 1 1584 348 348 ILE H H 9.300 0.005 1 1585 348 348 ILE C C 176.230 0.05 1 1586 348 348 ILE CA C 57.710 0.05 1 1587 348 348 ILE CB C 35.990 0.05 1 1588 348 348 ILE N N 128.180 0.05 1 1589 349 349 GLY H H 8.730 0.005 1 1590 349 349 GLY C C 172.450 0.05 1 1591 349 349 GLY CA C 45.140 0.05 1 1592 349 349 GLY N N 113.450 0.05 1 1593 350 350 GLY H H 7.300 0.005 1 1594 350 350 GLY C C 174.490 0.05 1 1595 350 350 GLY CA C 44.500 0.05 1 1596 350 350 GLY N N 105.450 0.05 1 1597 354 354 ALA H H 6.840 0.005 1 1598 354 354 ALA C C 178.860 0.05 1 1599 354 354 ALA CA C 54.820 0.05 1 1600 354 354 ALA CB C 17.120 0.05 1 1601 354 354 ALA N N 123.790 0.05 1 1602 355 355 ALA H H 7.810 0.005 1 1603 355 355 ALA C C 180.890 0.05 1 1604 355 355 ALA CA C 54.300 0.05 1 1605 355 355 ALA CB C 17.100 0.05 1 1606 355 355 ALA N N 120.630 0.05 1 1607 356 356 ALA H H 7.750 0.005 1 1608 356 356 ALA C C 177.470 0.05 1 1609 356 356 ALA CA C 54.490 0.05 1 1610 356 356 ALA CB C 16.050 0.05 1 1611 356 356 ALA N N 121.310 0.05 1 1612 357 357 VAL H H 7.560 0.005 1 1613 357 357 VAL C C 177.590 0.05 1 1614 357 357 VAL CA C 66.750 0.05 1 1615 357 357 VAL CB C 30.500 0.05 1 1616 357 357 VAL N N 113.100 0.05 1 1617 358 358 GLU H H 7.680 0.005 1 1618 358 358 GLU C C 179.970 0.05 1 1619 358 358 GLU CA C 58.500 0.05 1 1620 358 358 GLU CB C 28.700 0.05 1 1621 358 358 GLU N N 120.070 0.05 1 1622 359 359 LYS H H 8.030 0.005 1 1623 359 359 LYS C C 178.670 0.05 1 1624 359 359 LYS CA C 58.690 0.05 1 1625 359 359 LYS CB C 31.030 0.05 1 1626 359 359 LYS N N 123.620 0.05 1 1627 360 360 PHE H H 7.550 0.005 1 1628 360 360 PHE C C 175.840 0.05 1 1629 360 360 PHE CA C 55.290 0.05 1 1630 360 360 PHE CB C 38.050 0.05 1 1631 360 360 PHE N N 114.290 0.05 1 1632 361 361 GLY H H 7.920 0.005 1 1633 361 361 GLY C C 176.130 0.05 1 1634 361 361 GLY CA C 46.490 0.05 1 1635 361 361 GLY N N 109.250 0.05 1 1636 362 362 LEU H H 7.680 0.005 1 1637 362 362 LEU C C 177.430 0.05 1 1638 362 362 LEU CA C 53.420 0.05 1 1639 362 362 LEU CB C 43.770 0.05 1 1640 362 362 LEU N N 117.420 0.05 1 1641 363 363 ALA H H 8.130 0.005 1 1642 363 363 ALA C C 179.020 0.05 1 1643 363 363 ALA CA C 55.950 0.05 1 1644 363 363 ALA CB C 17.850 0.05 1 1645 363 363 ALA N N 124.360 0.05 1 1646 364 364 ASP H H 8.450 0.005 1 1647 364 364 ASP C C 176.680 0.05 1 1648 364 364 ASP CA C 54.840 0.05 1 1649 364 364 ASP CB C 39.060 0.05 1 1650 364 364 ASP N N 113.660 0.05 1 1651 365 365 LYS H H 7.410 0.005 1 1652 365 365 LYS C C 176.320 0.05 1 1653 365 365 LYS CA C 54.410 0.05 1 1654 365 365 LYS CB C 31.850 0.05 1 1655 365 365 LYS N N 116.960 0.05 1 1656 366 366 MET H H 7.160 0.005 1 1657 366 366 MET C C 176.550 0.05 1 1658 366 366 MET CA C 51.740 0.05 1 1659 366 366 MET CB C 32.100 0.05 1 1660 366 366 MET N N 117.310 0.05 1 1661 367 367 ASP H H 8.510 0.005 1 1662 367 367 ASP C C 177.270 0.05 1 1663 367 367 ASP CA C 58.150 0.05 1 1664 367 367 ASP CB C 40.340 0.05 1 1665 367 367 ASP N N 124.050 0.05 1 1666 368 368 HIS H H 8.120 0.005 1 1667 368 368 HIS C C 173.010 0.05 1 1668 368 368 HIS CA C 56.940 0.05 1 1669 368 368 HIS CB C 34.410 0.05 1 1670 368 368 HIS N N 117.310 0.05 1 1671 369 369 ILE H H 8.000 0.005 1 1672 369 369 ILE C C 175.240 0.05 1 1673 369 369 ILE CA C 59.780 0.05 1 1674 369 369 ILE CB C 37.250 0.05 1 1675 369 369 ILE N N 128.880 0.05 1 1676 370 370 SER H H 8.320 0.005 1 1677 370 370 SER C C 175.960 0.05 1 1678 370 370 SER CA C 57.980 0.05 1 1679 370 370 SER CB C 63.650 0.05 1 1680 370 370 SER N N 120.890 0.05 1 1681 371 371 THR H H 9.620 0.005 1 1682 371 371 THR C C 175.870 0.05 1 1683 371 371 THR CA C 62.270 0.05 1 1684 371 371 THR CB C 69.630 0.05 1 1685 371 371 THR N N 119.260 0.05 1 1686 372 372 GLY H H 7.970 0.005 1 1687 372 372 GLY C C 174.280 0.05 1 1688 372 372 GLY CA C 46.050 0.05 1 1689 372 372 GLY N N 108.510 0.05 1 1690 374 374 GLY H H 8.140 0.005 1 1691 374 374 GLY C C 175.50 0.05 1 1692 374 374 GLY CA C 46.810 0.05 1 1693 374 374 GLY N N 119.850 0.05 1 1694 375 375 ALA H H 8.100 0.005 1 1695 375 375 ALA C C 179.460 0.05 1 1696 375 375 ALA CA C 55.070 0.05 1 1697 375 375 ALA CB C 18.140 0.05 1 1698 375 375 ALA N N 123.170 0.05 1 1699 376 376 SER H H 7.190 0.005 1 1700 376 376 SER C C 176.190 0.05 1 1701 376 376 SER CA C 61.990 0.05 1 1702 376 376 SER CB C 62.450 0.05 1 1703 376 376 SER N N 111.110 0.05 1 1704 377 377 LEU H H 7.290 0.005 1 1705 377 377 LEU C C 178.390 0.05 1 1706 377 377 LEU CA C 58.160 0.05 1 1707 377 377 LEU CB C 40.640 0.05 1 1708 377 377 LEU N N 124.650 0.05 1 1709 378 378 GLU H H 8.090 0.005 1 1710 378 378 GLU C C 179.190 0.05 1 1711 378 378 GLU CA C 59.810 0.05 1 1712 378 378 GLU CB C 27.990 0.05 1 1713 378 378 GLU N N 118.030 0.05 1 1714 379 379 PHE H H 8.450 0.005 1 1715 379 379 PHE C C 180.480 0.05 1 1716 379 379 PHE CA C 61.320 0.05 1 1717 379 379 PHE CB C 39.120 0.05 1 1718 379 379 PHE N N 120.060 0.05 1 1719 380 380 MET H H 8.090 0.005 1 1720 380 380 MET C C 176.480 0.05 1 1721 380 380 MET CA C 58.050 0.05 1 1722 380 380 MET CB C 31.810 0.05 1 1723 380 380 MET N N 118.040 0.05 1 1724 381 381 GLU H H 7.870 0.005 1 1725 381 381 GLU C C 176.550 0.05 1 1726 381 381 GLU CA C 56.930 0.05 1 1727 381 381 GLU CB C 29.800 0.05 1 1728 381 381 GLU N N 117.950 0.05 1 1729 382 382 GLY H H 7.840 0.005 1 1730 382 382 GLY C C 175.160 0.05 1 1731 382 382 GLY CA C 44.380 0.05 1 1732 382 382 GLY N N 106.430 0.05 1 1733 383 383 LYS H H 7.240 0.005 1 1734 383 383 LYS C C 176.150 0.05 1 1735 383 383 LYS CA C 55.930 0.05 1 1736 383 383 LYS CB C 32.120 0.05 1 1737 383 383 LYS N N 119.750 0.05 1 1738 384 384 GLN H H 8.330 0.005 1 1739 384 384 GLN C C 175.800 0.05 1 1740 384 384 GLN CA C 53.500 0.05 1 1741 384 384 GLN CB C 27.390 0.05 1 1742 384 384 GLN N N 120.190 0.05 1 1743 385 385 LEU H H 8.970 0.005 1 1744 385 385 LEU C C 176.310 0.05 1 1745 385 385 LEU CA C 52.880 0.05 1 1746 385 385 LEU CB C 39.290 0.05 1 1747 385 385 LEU N N 129.290 0.05 1 1748 387 387 GLY H H 8.920 0.005 1 1749 387 387 GLY C C 174.380 0.05 1 1750 387 387 GLY CA C 46.010 0.05 1 1751 387 387 GLY N N 102.720 0.05 1 1752 388 388 VAL H H 7.160 0.005 1 1753 388 388 VAL C C 177.990 0.05 1 1754 388 388 VAL CA C 64.960 0.05 1 1755 388 388 VAL CB C 31.360 0.05 1 1756 388 388 VAL N N 118.960 0.05 1 1757 389 389 VAL H H 7.940 0.005 1 1758 389 389 VAL C C 176.670 0.05 1 1759 389 389 VAL CA C 64.650 0.05 1 1760 389 389 VAL CB C 31.070 0.05 1 1761 389 389 VAL N N 117.520 0.05 1 1762 390 390 ALA H H 6.790 0.005 1 1763 390 390 ALA C C 177.260 0.05 1 1764 390 390 ALA CA C 52.420 0.05 1 1765 390 390 ALA CB C 18.380 0.05 1 1766 390 390 ALA N N 116.630 0.05 1 1767 391 391 LEU H H 7.180 0.005 1 1768 391 391 LEU C C 177.750 0.05 1 1769 391 391 LEU CA C 53.960 0.05 1 1770 391 391 LEU CB C 41.150 0.05 1 1771 391 391 LEU N N 115.400 0.05 1 1772 392 392 GLU H H 8.660 0.005 1 1773 392 392 GLU C C 176.630 0.05 1 1774 392 392 GLU CA C 57.430 0.05 1 1775 392 392 GLU CB C 30.530 0.05 1 1776 392 392 GLU N N 123.300 0.05 1 1777 393 393 ASP H H 8.350 0.005 1 1778 393 393 ASP C C 176.390 0.05 1 1779 393 393 ASP CA C 54.510 0.05 1 1780 393 393 ASP CB C 41.420 0.05 1 1781 393 393 ASP N N 123.720 0.05 1 1782 394 394 LYS H H 8.110 0.005 1 1783 394 394 LYS C C 171.220 0.05 1 1784 394 394 LYS CA C 58.600 0.05 1 1785 394 394 LYS CB C 32.850 0.05 1 1786 394 394 LYS N N 126.580 0.05 1 stop_ save_