data_27851 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments of the PRY-SPRY domain of RNF135 ; _BMRB_accession_number 27851 _BMRB_flat_file_name bmr27851.str _Entry_type original _Submission_date 2019-03-23 _Accession_date 2019-03-23 _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 Zhang Danting . . 2 Wei Huan . . 3 Kuang Zhihe . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 350 "13C chemical shifts" 543 "15N chemical shifts" 174 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-10 update BMRB 'update entry citation' 2019-05-22 original author 'original release' stop_ _Original_release_date 2019-03-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C, and 15N resonance assignments of the PRY-SPRY domain of RNF135 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31065957 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Danting . . 2 Wei Huan . . 3 Xue Hongjuan . . 4 Guo Shujun . . 5 Wu Bin . . 6 Kuang Zhihe . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 299 _Page_last 304 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNF135 PRY-SPRY monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNF135 PRY-SPRY monomer' $PRY-SPRY_domain_of_RNF135 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_PRY-SPRY_domain_of_RNF135 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PRY-SPRY_domain_of_RNF135 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 209 _Mol_residue_sequence ; MGSSSSCPLPDQSHPALRRA SRFAQWAIHPTFNLKSLSCS LEVSKDSRTVTVSHRPQPYR WSCERFSTSQVLCSQALSSG KHYWEVDTRNCSHWAVGVAS WEMSRDQVLGRTMDSCCVEW KGTSQLSAWHMVKETVLGSD RPGVVGIWLNLEEGKLAFYS VDNQEKLLYECTISASSPLY PAFWLYGLHPGNYLIIKQVK VGSHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 232 MET 2 233 GLY 3 234 SER 4 235 SER 5 236 SER 6 237 SER 7 238 CYS 8 239 PRO 9 240 LEU 10 241 PRO 11 242 ASP 12 243 GLN 13 244 SER 14 245 HIS 15 246 PRO 16 247 ALA 17 248 LEU 18 249 ARG 19 250 ARG 20 251 ALA 21 252 SER 22 253 ARG 23 254 PHE 24 255 ALA 25 256 GLN 26 257 TRP 27 258 ALA 28 259 ILE 29 260 HIS 30 261 PRO 31 262 THR 32 263 PHE 33 264 ASN 34 265 LEU 35 266 LYS 36 267 SER 37 268 LEU 38 269 SER 39 270 CYS 40 271 SER 41 272 LEU 42 273 GLU 43 274 VAL 44 275 SER 45 276 LYS 46 277 ASP 47 278 SER 48 279 ARG 49 280 THR 50 281 VAL 51 282 THR 52 283 VAL 53 284 SER 54 285 HIS 55 286 ARG 56 287 PRO 57 288 GLN 58 289 PRO 59 290 TYR 60 291 ARG 61 292 TRP 62 293 SER 63 294 CYS 64 295 GLU 65 296 ARG 66 297 PHE 67 298 SER 68 299 THR 69 300 SER 70 301 GLN 71 302 VAL 72 303 LEU 73 304 CYS 74 305 SER 75 306 GLN 76 307 ALA 77 308 LEU 78 309 SER 79 310 SER 80 311 GLY 81 312 LYS 82 313 HIS 83 314 TYR 84 315 TRP 85 316 GLU 86 317 VAL 87 318 ASP 88 319 THR 89 320 ARG 90 321 ASN 91 322 CYS 92 323 SER 93 324 HIS 94 325 TRP 95 326 ALA 96 327 VAL 97 328 GLY 98 329 VAL 99 330 ALA 100 331 SER 101 332 TRP 102 333 GLU 103 334 MET 104 335 SER 105 336 ARG 106 337 ASP 107 338 GLN 108 339 VAL 109 340 LEU 110 341 GLY 111 342 ARG 112 343 THR 113 344 MET 114 345 ASP 115 346 SER 116 347 CYS 117 348 CYS 118 349 VAL 119 350 GLU 120 351 TRP 121 352 LYS 122 353 GLY 123 354 THR 124 355 SER 125 356 GLN 126 357 LEU 127 358 SER 128 359 ALA 129 360 TRP 130 361 HIS 131 362 MET 132 363 VAL 133 364 LYS 134 365 GLU 135 366 THR 136 367 VAL 137 368 LEU 138 369 GLY 139 370 SER 140 371 ASP 141 372 ARG 142 373 PRO 143 374 GLY 144 375 VAL 145 376 VAL 146 377 GLY 147 378 ILE 148 379 TRP 149 380 LEU 150 381 ASN 151 382 LEU 152 383 GLU 153 384 GLU 154 385 GLY 155 386 LYS 156 387 LEU 157 388 ALA 158 389 PHE 159 390 TYR 160 391 SER 161 392 VAL 162 393 ASP 163 394 ASN 164 395 GLN 165 396 GLU 166 397 LYS 167 398 LEU 168 399 LEU 169 400 TYR 170 401 GLU 171 402 CYS 172 403 THR 173 404 ILE 174 405 SER 175 406 ALA 176 407 SER 177 408 SER 178 409 PRO 179 410 LEU 180 411 TYR 181 412 PRO 182 413 ALA 183 414 PHE 184 415 TRP 185 416 LEU 186 417 TYR 187 418 GLY 188 419 LEU 189 420 HIS 190 421 PRO 191 422 GLY 192 423 ASN 193 424 TYR 194 425 LEU 195 426 ILE 196 427 ILE 197 428 LYS 198 429 GLN 199 430 VAL 200 431 LYS 201 432 VAL 202 433 GLY 203 434 SER 204 435 HIS 205 436 HIS 206 437 HIS 207 438 HIS 208 439 HIS 209 440 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PRY-SPRY_domain_of_RNF135 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PRY-SPRY_domain_of_RNF135 'recombinant technology' . Escherichia coli . pET-15b 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 $PRY-SPRY_domain_of_RNF135 0.4 mM '[U-99% 13C; U-99% 15N]' H2O 95 % 'natural abundance' D2O 5 % '[U-99% 2H]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PRY-SPRY_domain_of_RNF135 0.4 mM '[U-99% 13C; U-99% 15N; U-75% 2H]' H2O 95 % 'natural abundance' D2O 5 % '[U-99% 2H]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCO' '3D 1H-15N NOESY' '3D HNCACB' '3D HN(COCA)CB' '3D HNHA' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNF135 PRY-SPRY monomer' _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 1 237 6 SER C C 172.9 0.4 1 2 237 6 SER CA C 58.4 0.4 1 3 237 6 SER CB C 63.7 0.4 1 4 238 7 CYS H H 8.03 0.02 1 5 238 7 CYS CA C 54.1 0.4 1 6 238 7 CYS CB C 30.1 0.4 1 7 238 7 CYS N N 121.6 0.4 1 8 239 8 PRO C C 176.3 0.4 1 9 239 8 PRO CA C 62.8 0.4 1 10 239 8 PRO CB C 31.8 0.4 1 11 240 9 LEU H H 8.23 0.02 1 12 240 9 LEU CA C 52.9 0.4 1 13 240 9 LEU CB C 40.8 0.4 1 14 240 9 LEU N N 123.5 0.4 1 15 241 10 PRO C C 176.5 0.4 1 16 241 10 PRO CA C 63.0 0.4 1 17 241 10 PRO CB C 31.7 0.4 1 18 242 11 ASP H H 8.25 0.02 1 19 242 11 ASP HA H 4.44 0.02 1 20 242 11 ASP C C 176.4 0.4 1 21 242 11 ASP CA C 54.3 0.4 1 22 242 11 ASP CB C 41.0 0.4 1 23 242 11 ASP N N 119.8 0.4 1 24 243 12 GLN H H 8.26 0.02 1 25 243 12 GLN HA H 4.23 0.02 1 26 243 12 GLN C C 175.8 0.4 1 27 243 12 GLN CA C 55.6 0.4 1 28 243 12 GLN CB C 29.0 0.4 1 29 243 12 GLN N N 120.7 0.4 1 30 244 13 SER H H 8.22 0.02 1 31 244 13 SER HA H 4.20 0.02 1 32 244 13 SER C C 173.7 0.4 1 33 244 13 SER CA C 58.5 0.4 1 34 244 13 SER CB C 63.6 0.4 1 35 244 13 SER N N 116.0 0.4 1 36 245 14 HIS H H 8.07 0.02 1 37 245 14 HIS HA H 4.50 0.02 1 38 245 14 HIS CA C 54.6 0.4 1 39 245 14 HIS CB C 29.7 0.4 1 40 245 14 HIS N N 122.6 0.4 1 41 246 15 PRO C C 176.9 0.4 1 42 246 15 PRO CA C 63.6 0.4 1 43 246 15 PRO CB C 31.7 0.4 1 44 247 16 ALA H H 8.80 0.02 1 45 247 16 ALA HA H 4.19 0.02 1 46 247 16 ALA C C 177.7 0.4 1 47 247 16 ALA CA C 52.5 0.4 1 48 247 16 ALA CB C 18.8 0.4 1 49 247 16 ALA N N 123.5 0.4 1 50 248 17 LEU H H 7.94 0.02 1 51 248 17 LEU HA H 4.19 0.02 1 52 248 17 LEU C C 176.9 0.4 1 53 248 17 LEU CA C 54.8 0.4 1 54 248 17 LEU CB C 42.1 0.4 1 55 248 17 LEU N N 120.2 0.4 1 56 249 18 ARG H H 8.02 0.02 1 57 249 18 ARG HA H 4.20 0.02 1 58 249 18 ARG C C 175.7 0.4 1 59 249 18 ARG CA C 55.7 0.4 1 60 249 18 ARG CB C 30.5 0.4 1 61 249 18 ARG N N 121.6 0.4 1 62 250 19 ARG H H 8.23 0.02 1 63 250 19 ARG HA H 4.18 0.02 1 64 250 19 ARG C C 175.4 0.4 1 65 250 19 ARG CA C 55.6 0.4 1 66 250 19 ARG CB C 30.8 0.4 1 67 250 19 ARG N N 122.8 0.4 1 68 251 20 ALA H H 8.22 0.02 1 69 251 20 ALA HA H 4.05 0.02 1 70 251 20 ALA C C 177.0 0.4 1 71 251 20 ALA CA C 51.5 0.4 1 72 251 20 ALA CB C 19.5 0.4 1 73 251 20 ALA N N 124.9 0.4 1 74 252 21 SER H H 8.43 0.02 1 75 252 21 SER HA H 4.10 0.02 1 76 252 21 SER C C 177.0 0.4 1 77 252 21 SER CA C 57.8 0.4 1 78 252 21 SER CB C 63.2 0.4 1 79 252 21 SER N N 114.6 0.4 1 80 253 22 ARG H H 8.75 0.02 1 81 253 22 ARG C C 176.5 0.4 1 82 253 22 ARG CA C 57.5 0.4 1 83 253 22 ARG CB C 28.6 0.4 1 84 253 22 ARG N N 127.7 0.4 1 85 254 23 PHE H H 7.65 0.02 1 86 254 23 PHE HA H 4.39 0.02 1 87 254 23 PHE C C 175.8 0.4 1 88 254 23 PHE CA C 56.5 0.4 1 89 254 23 PHE CB C 37.9 0.4 1 90 254 23 PHE N N 119.3 0.4 1 91 255 24 ALA H H 7.06 0.02 1 92 255 24 ALA HA H 4.41 0.02 1 93 255 24 ALA C C 178.7 0.4 1 94 255 24 ALA CA C 55.6 0.4 1 95 255 24 ALA CB C 18.6 0.4 1 96 255 24 ALA N N 120.0 0.4 1 97 256 25 GLN H H 8.26 0.02 1 98 256 25 GLN HA H 4.29 0.02 1 99 256 25 GLN C C 175.7 0.4 1 100 256 25 GLN CA C 57.7 0.4 1 101 256 25 GLN CB C 27.0 0.4 1 102 256 25 GLN N N 115.8 0.4 1 103 257 26 TRP H H 7.69 0.02 1 104 257 26 TRP HA H 4.82 0.02 1 105 257 26 TRP C C 175.3 0.4 1 106 257 26 TRP CA C 57.6 0.4 1 107 257 26 TRP N N 118.4 0.4 1 108 258 27 ALA H H 7.51 0.02 1 109 258 27 ALA HA H 5.42 0.02 1 110 258 27 ALA C C 178.3 0.4 1 111 258 27 ALA CA C 52.6 0.4 1 112 258 27 ALA CB C 19.6 0.4 1 113 258 27 ALA N N 122.8 0.4 1 114 259 28 ILE H H 9.44 0.02 1 115 259 28 ILE CA C 59.4 0.4 1 116 259 28 ILE CB C 41.8 0.4 1 117 259 28 ILE N N 117.2 0.4 1 118 261 30 PRO C C 173.0 0.4 1 119 261 30 PRO CA C 62.8 0.4 1 120 261 30 PRO CB C 33.2 0.4 1 121 262 31 THR H H 8.61 0.02 1 122 262 31 THR HA H 4.32 0.02 1 123 262 31 THR C C 174.6 0.4 1 124 262 31 THR CA C 58.3 0.4 1 125 262 31 THR CB C 71.4 0.4 1 126 262 31 THR N N 105.5 0.4 1 127 263 32 PHE H H 8.07 0.02 1 128 263 32 PHE HA H 4.34 0.02 1 129 263 32 PHE C C 174.5 0.4 1 130 263 32 PHE CA C 60.0 0.4 1 131 263 32 PHE CB C 39.3 0.4 1 132 263 32 PHE N N 120.2 0.4 1 133 264 33 ASN H H 9.41 0.02 1 134 264 33 ASN HA H 4.79 0.02 1 135 264 33 ASN CA C 52.4 0.4 1 136 264 33 ASN CB C 37.9 0.4 1 137 264 33 ASN N N 120.0 0.4 1 138 265 34 LEU C C 178.0 0.4 1 139 265 34 LEU CA C 57.4 0.4 1 140 265 34 LEU CB C 40.2 0.4 1 141 266 35 LYS H H 7.89 0.02 1 142 266 35 LYS HA H 3.94 0.02 1 143 266 35 LYS C C 176.6 0.4 1 144 266 35 LYS CA C 58.6 0.4 1 145 266 35 LYS CB C 31.7 0.4 1 146 266 35 LYS N N 118.4 0.4 1 147 267 36 SER H H 7.57 0.02 1 148 267 36 SER HA H 3.88 0.02 1 149 267 36 SER C C 174.6 0.4 1 150 267 36 SER CA C 58.6 0.4 1 151 267 36 SER CB C 65.6 0.4 1 152 267 36 SER N N 109.2 0.4 1 153 268 37 LEU H H 6.49 0.02 1 154 268 37 LEU HA H 3.82 0.02 1 155 268 37 LEU C C 175.1 0.4 1 156 268 37 LEU CA C 55.9 0.4 1 157 268 37 LEU CB C 44.9 0.4 1 158 268 37 LEU N N 122.8 0.4 1 159 269 38 SER H H 7.21 0.02 1 160 269 38 SER HA H 4.86 0.02 1 161 269 38 SER C C 176.0 0.4 1 162 269 38 SER CA C 57.9 0.4 1 163 269 38 SER CB C 64.6 0.4 1 164 269 38 SER N N 118.6 0.4 1 165 270 39 CYS H H 9.19 0.02 1 166 270 39 CYS HA H 4.60 0.02 1 167 270 39 CYS C C 174.2 0.4 1 168 270 39 CYS CA C 61.8 0.4 1 169 270 39 CYS CB C 27.1 0.4 1 170 270 39 CYS N N 122.3 0.4 1 171 271 40 SER H H 7.98 0.02 1 172 271 40 SER HA H 4.31 0.02 1 173 271 40 SER C C 172.7 0.4 1 174 271 40 SER CA C 59.0 0.4 1 175 271 40 SER CB C 63.7 0.4 1 176 271 40 SER N N 111.8 0.4 1 177 272 41 LEU H H 8.05 0.02 1 178 272 41 LEU HA H 5.25 0.02 1 179 272 41 LEU C C 175.1 0.4 1 180 272 41 LEU CA C 52.9 0.4 1 181 272 41 LEU CB C 45.8 0.4 1 182 272 41 LEU N N 120.5 0.4 1 183 273 42 GLU H H 9.12 0.02 1 184 273 42 GLU HA H 4.58 0.02 1 185 273 42 GLU C C 174.0 0.4 1 186 273 42 GLU CA C 54.4 0.4 1 187 273 42 GLU CB C 33.7 0.4 1 188 273 42 GLU N N 116.2 0.4 1 189 274 43 VAL H H 8.64 0.02 1 190 274 43 VAL HA H 5.13 0.02 1 191 274 43 VAL C C 175.7 0.4 1 192 274 43 VAL CA C 59.2 0.4 1 193 274 43 VAL CB C 35.1 0.4 1 194 274 43 VAL N N 118.1 0.4 1 195 275 44 SER H H 8.24 0.02 1 196 275 44 SER HA H 4.41 0.02 1 197 275 44 SER CA C 57.8 0.4 1 198 275 44 SER CB C 64.2 0.4 1 199 275 44 SER N N 119.1 0.4 1 200 277 46 ASP C C 176.0 0.4 1 201 277 46 ASP CA C 53.0 0.4 1 202 277 46 ASP CB C 39.8 0.4 1 203 278 47 SER H H 8.15 0.02 1 204 278 47 SER HA H 4.40 0.02 1 205 278 47 SER C C 173.6 0.4 1 206 278 47 SER CA C 60.0 0.4 1 207 278 47 SER CB C 62.0 0.4 1 208 278 47 SER N N 110.2 0.4 1 209 279 48 ARG H H 7.62 0.02 1 210 279 48 ARG HA H 4.29 0.02 1 211 279 48 ARG C C 174.6 0.4 1 212 279 48 ARG CA C 56.7 0.4 1 213 279 48 ARG N N 114.1 0.4 1 214 280 49 THR H H 7.84 0.02 1 215 280 49 THR HA H 5.33 0.02 1 216 280 49 THR C C 172.9 0.4 1 217 280 49 THR CA C 62.1 0.4 1 218 280 49 THR CB C 70.1 0.4 1 219 280 49 THR N N 114.8 0.4 1 220 281 50 VAL H H 8.44 0.02 1 221 281 50 VAL HA H 4.94 0.02 1 222 281 50 VAL C C 171.5 0.4 1 223 281 50 VAL CA C 57.7 0.4 1 224 281 50 VAL CB C 32.3 0.4 1 225 281 50 VAL N N 125.1 0.4 1 226 282 51 THR H H 8.75 0.02 1 227 282 51 THR HA H 5.14 0.02 1 228 282 51 THR C C 173.9 0.4 1 229 282 51 THR CA C 60.4 0.4 1 230 282 51 THR CB C 70.7 0.4 1 231 282 51 THR N N 122.8 0.4 1 232 283 52 VAL H H 8.97 0.02 1 233 283 52 VAL HA H 4.15 0.02 1 234 283 52 VAL C C 175.8 0.4 1 235 283 52 VAL CA C 63.0 0.4 1 236 283 52 VAL CB C 31.3 0.4 1 237 283 52 VAL N N 124.9 0.4 1 238 284 53 SER H H 8.51 0.02 1 239 284 53 SER HA H 4.12 0.02 1 240 284 53 SER CA C 59.0 0.4 1 241 284 53 SER CB C 64.2 0.4 1 242 284 53 SER N N 128.0 0.4 1 243 285 54 HIS C C 174.9 0.4 1 244 285 54 HIS CA C 59.1 0.4 1 245 285 54 HIS CB C 30.8 0.4 1 246 286 55 ARG H H 7.54 0.02 1 247 286 55 ARG HA H 4.63 0.02 1 248 286 55 ARG CA C 52.6 0.4 1 249 286 55 ARG CB C 30.2 0.4 1 250 286 55 ARG N N 116.5 0.4 1 251 287 56 PRO C C 177.0 0.4 1 252 287 56 PRO CA C 62.7 0.4 1 253 287 56 PRO CB C 31.3 0.4 1 254 288 57 GLN H H 9.08 0.02 1 255 288 57 GLN HA H 4.18 0.02 1 256 288 57 GLN CA C 52.0 0.4 1 257 288 57 GLN CB C 28.1 0.4 1 258 288 57 GLN N N 124.0 0.4 1 259 289 58 PRO C C 176.1 0.4 1 260 289 58 PRO CA C 62.4 0.4 1 261 289 58 PRO CB C 28.0 0.4 1 262 290 59 TYR H H 7.32 0.02 1 263 290 59 TYR HA H 4.79 0.02 1 264 290 59 TYR C C 176.7 0.4 1 265 290 59 TYR CA C 54.6 0.4 1 266 290 59 TYR CB C 36.4 0.4 1 267 290 59 TYR N N 122.8 0.4 1 268 291 60 ARG H H 8.69 0.02 1 269 291 60 ARG HA H 4.14 0.02 1 270 291 60 ARG CA C 56.3 0.4 1 271 291 60 ARG CB C 29.7 0.4 1 272 291 60 ARG N N 123.0 0.4 1 273 292 61 TRP C C 176.4 0.4 1 274 292 61 TRP CA C 60.4 0.4 1 275 292 61 TRP CB C 28.6 0.4 1 276 293 62 SER H H 6.58 0.02 1 277 293 62 SER CA C 56.8 0.4 1 278 293 62 SER CB C 65.2 0.4 1 279 293 62 SER N N 119.1 0.4 1 280 294 63 CYS C C 174.0 0.4 1 281 294 63 CYS CA C 59.3 0.4 1 282 294 63 CYS CB C 26.4 0.4 1 283 295 64 GLU H H 7.94 0.02 1 284 295 64 GLU HA H 3.72 0.02 1 285 295 64 GLU C C 176.2 0.4 1 286 295 64 GLU CA C 56.0 0.4 1 287 295 64 GLU CB C 29.9 0.4 1 288 295 64 GLU N N 118.6 0.4 1 289 296 65 ARG H H 6.94 0.02 1 290 296 65 ARG HA H 4.04 0.02 1 291 296 65 ARG C C 176.4 0.4 1 292 296 65 ARG CA C 56.9 0.4 1 293 296 65 ARG CB C 29.7 0.4 1 294 296 65 ARG N N 123.5 0.4 1 295 297 66 PHE H H 8.05 0.02 1 296 297 66 PHE HA H 4.57 0.02 1 297 297 66 PHE C C 176.4 0.4 1 298 297 66 PHE CA C 61.2 0.4 1 299 297 66 PHE CB C 39.4 0.4 1 300 297 66 PHE N N 123.3 0.4 1 301 298 67 SER H H 9.06 0.02 1 302 298 67 SER HA H 4.51 0.02 1 303 298 67 SER C C 177.3 0.4 1 304 298 67 SER CA C 59.4 0.4 1 305 298 67 SER CB C 63.4 0.4 1 306 298 67 SER N N 115.8 0.4 1 307 299 68 THR H H 7.38 0.02 1 308 299 68 THR HA H 4.49 0.02 1 309 299 68 THR C C 175.6 0.4 1 310 299 68 THR CA C 60.4 0.4 1 311 299 68 THR CB C 70.4 0.4 1 312 299 68 THR N N 111.8 0.4 1 313 300 69 SER H H 8.24 0.02 1 314 300 69 SER HA H 4.19 0.02 1 315 300 69 SER C C 172.4 0.4 1 316 300 69 SER CA C 56.9 0.4 1 317 300 69 SER CB C 60.1 0.4 1 318 300 69 SER N N 113.7 0.4 1 319 301 70 GLN H H 8.02 0.02 1 320 301 70 GLN HA H 5.22 0.02 1 321 301 70 GLN C C 172.1 0.4 1 322 301 70 GLN CA C 53.4 0.4 1 323 301 70 GLN CB C 34.6 0.4 1 324 301 70 GLN N N 122.3 0.4 1 325 302 71 VAL H H 7.99 0.02 1 326 302 71 VAL HA H 4.38 0.02 1 327 302 71 VAL C C 171.4 0.4 1 328 302 71 VAL CA C 60.0 0.4 1 329 302 71 VAL CB C 34.2 0.4 1 330 302 71 VAL N N 114.8 0.4 1 331 303 72 LEU H H 8.25 0.02 1 332 303 72 LEU HA H 5.62 0.02 1 333 303 72 LEU C C 178.5 0.4 1 334 303 72 LEU CA C 53.1 0.4 1 335 303 72 LEU CB C 45.0 0.4 1 336 303 72 LEU N N 123.7 0.4 1 337 304 73 CYS H H 8.62 0.02 1 338 304 73 CYS HA H 4.30 0.02 1 339 304 73 CYS C C 173.6 0.4 1 340 304 73 CYS CA C 60.1 0.4 1 341 304 73 CYS CB C 29.2 0.4 1 342 304 73 CYS N N 116.5 0.4 1 343 305 74 SER H H 8.36 0.02 1 344 305 74 SER HA H 4.28 0.02 1 345 305 74 SER C C 173.6 0.4 1 346 305 74 SER CA C 60.2 0.4 1 347 305 74 SER CB C 63.8 0.4 1 348 305 74 SER N N 113.0 0.4 1 349 306 75 GLN H H 7.48 0.02 1 350 306 75 GLN HA H 3.83 0.02 1 351 306 75 GLN C C 170.5 0.4 1 352 306 75 GLN CA C 58.5 0.4 1 353 306 75 GLN CB C 26.4 0.4 1 354 306 75 GLN N N 121.6 0.4 1 355 307 76 ALA H H 7.35 0.02 1 356 307 76 ALA HA H 3.78 0.02 1 357 307 76 ALA C C 177.5 0.4 1 358 307 76 ALA CA C 50.8 0.4 1 359 307 76 ALA CB C 19.3 0.4 1 360 307 76 ALA N N 124.9 0.4 1 361 308 77 LEU H H 9.03 0.02 1 362 308 77 LEU HA H 4.19 0.02 1 363 308 77 LEU C C 175.2 0.4 1 364 308 77 LEU CA C 53.4 0.4 1 365 308 77 LEU CB C 38.5 0.4 1 366 308 77 LEU N N 126.8 0.4 1 367 309 78 SER H H 8.76 0.02 1 368 309 78 SER HA H 4.48 0.02 1 369 309 78 SER C C 173.0 0.4 1 370 309 78 SER CA C 58.3 0.4 1 371 309 78 SER CB C 65.1 0.4 1 372 309 78 SER N N 116.7 0.4 1 373 310 79 SER H H 7.91 0.02 1 374 310 79 SER HA H 4.40 0.02 1 375 310 79 SER C C 173.6 0.4 1 376 310 79 SER CA C 57.1 0.4 1 377 310 79 SER CB C 64.7 0.4 1 378 310 79 SER N N 115.5 0.4 1 379 311 80 GLY H H 9.13 0.02 1 380 311 80 GLY HA2 H 3.78 0.02 2 381 311 80 GLY HA3 H 3.78 0.02 2 382 311 80 GLY C C 171.4 0.4 1 383 311 80 GLY CA C 45.4 0.4 1 384 311 80 GLY N N 109.9 0.4 1 385 312 81 LYS H H 7.42 0.02 1 386 312 81 LYS HA H 4.69 0.02 1 387 312 81 LYS C C 173.8 0.4 1 388 312 81 LYS CA C 54.6 0.4 1 389 312 81 LYS CB C 34.2 0.4 1 390 312 81 LYS N N 119.3 0.4 1 391 313 82 HIS H H 7.98 0.02 1 392 313 82 HIS HA H 5.31 0.02 1 393 313 82 HIS C C 173.0 0.4 1 394 313 82 HIS CA C 55.9 0.4 1 395 313 82 HIS CB C 36.3 0.4 1 396 313 82 HIS N N 117.4 0.4 1 397 314 83 TYR H H 8.12 0.02 1 398 314 83 TYR HA H 4.81 0.02 1 399 314 83 TYR C C 173.6 0.4 1 400 314 83 TYR CA C 55.6 0.4 1 401 314 83 TYR CB C 44.4 0.4 1 402 314 83 TYR N N 123.0 0.4 1 403 315 84 TRP H H 7.95 0.02 1 404 315 84 TRP HA H 4.87 0.02 1 405 315 84 TRP C C 171.7 0.4 1 406 315 84 TRP CA C 56.7 0.4 1 407 315 84 TRP CB C 31.6 0.4 1 408 315 84 TRP N N 125.4 0.4 1 409 316 85 GLU H H 8.54 0.02 1 410 316 85 GLU HA H 5.33 0.02 1 411 316 85 GLU C C 175.8 0.4 1 412 316 85 GLU CA C 53.8 0.4 1 413 316 85 GLU CB C 34.3 0.4 1 414 316 85 GLU N N 115.8 0.4 1 415 317 86 VAL H H 9.02 0.02 1 416 317 86 VAL HA H 5.06 0.02 1 417 317 86 VAL C C 173.9 0.4 1 418 317 86 VAL CA C 58.8 0.4 1 419 317 86 VAL CB C 35.3 0.4 1 420 317 86 VAL N N 117.9 0.4 1 421 318 87 ASP H H 9.42 0.02 1 422 318 87 ASP HA H 4.78 0.02 1 423 318 87 ASP C C 178.2 0.4 1 424 318 87 ASP CA C 53.3 0.4 1 425 318 87 ASP CB C 41.5 0.4 1 426 318 87 ASP N N 125.6 0.4 1 427 319 88 THR H H 8.52 0.02 1 428 319 88 THR HA H 4.19 0.02 1 429 319 88 THR C C 177.0 0.4 1 430 319 88 THR CA C 61.5 0.4 1 431 319 88 THR CB C 68.1 0.4 1 432 319 88 THR N N 121.2 0.4 1 433 320 89 ARG H H 8.20 0.02 1 434 320 89 ARG HA H 4.61 0.02 1 435 320 89 ARG C C 176.2 0.4 1 436 320 89 ARG CA C 59.7 0.4 1 437 320 89 ARG CB C 30.0 0.4 1 438 320 89 ARG N N 121.9 0.4 1 439 321 90 ASN H H 8.50 0.02 1 440 321 90 ASN HA H 4.62 0.02 1 441 321 90 ASN C C 172.9 0.4 1 442 321 90 ASN CA C 51.5 0.4 1 443 321 90 ASN CB C 37.8 0.4 1 444 321 90 ASN N N 115.3 0.4 1 445 322 91 CYS H H 7.36 0.02 1 446 322 91 CYS HA H 4.69 0.02 1 447 322 91 CYS C C 173.5 0.4 1 448 322 91 CYS CA C 57.2 0.4 1 449 322 91 CYS CB C 28.3 0.4 1 450 322 91 CYS N N 122.6 0.4 1 451 323 92 SER H H 9.12 0.02 1 452 323 92 SER HA H 4.00 0.02 1 453 323 92 SER C C 174.3 0.4 1 454 323 92 SER CA C 60.9 0.4 1 455 323 92 SER CB C 61.9 0.4 1 456 323 92 SER N N 124.9 0.4 1 457 324 93 HIS H H 7.09 0.02 1 458 324 93 HIS HA H 4.77 0.02 1 459 324 93 HIS C C 173.2 0.4 1 460 324 93 HIS CA C 56.5 0.4 1 461 324 93 HIS CB C 31.7 0.4 1 462 324 93 HIS N N 116.7 0.4 1 463 325 94 TRP H H 7.41 0.02 1 464 325 94 TRP HA H 4.87 0.02 1 465 325 94 TRP C C 174.0 0.4 1 466 325 94 TRP CA C 54.5 0.4 1 467 325 94 TRP CB C 34.1 0.4 1 468 325 94 TRP N N 120.7 0.4 1 469 326 95 ALA H H 9.81 0.02 1 470 326 95 ALA HA H 5.11 0.02 1 471 326 95 ALA C C 176.2 0.4 1 472 326 95 ALA CA C 52.9 0.4 1 473 326 95 ALA CB C 22.9 0.4 1 474 326 95 ALA N N 120.0 0.4 1 475 327 96 VAL H H 9.10 0.02 1 476 327 96 VAL HA H 5.13 0.02 1 477 327 96 VAL C C 174.8 0.4 1 478 327 96 VAL CA C 58.5 0.4 1 479 327 96 VAL N N 113.0 0.4 1 480 328 97 GLY H H 8.07 0.02 1 481 328 97 GLY HA2 H 4.19 0.02 2 482 328 97 GLY HA3 H 4.19 0.02 2 483 328 97 GLY C C 172.7 0.4 1 484 328 97 GLY CA C 46.8 0.4 1 485 328 97 GLY N N 108.0 0.4 1 486 329 98 VAL H H 9.02 0.02 1 487 329 98 VAL HA H 5.57 0.02 1 488 329 98 VAL C C 173.2 0.4 1 489 329 98 VAL CA C 58.7 0.4 1 490 329 98 VAL CB C 37.5 0.4 1 491 329 98 VAL N N 119.1 0.4 1 492 330 99 ALA H H 8.76 0.02 1 493 330 99 ALA HA H 5.22 0.02 1 494 330 99 ALA C C 176.0 0.4 1 495 330 99 ALA CA C 51.2 0.4 1 496 330 99 ALA CB C 25.2 0.4 1 497 330 99 ALA N N 120.2 0.4 1 498 331 100 SER H H 7.80 0.02 1 499 331 100 SER HA H 5.25 0.02 1 500 331 100 SER C C 174.2 0.4 1 501 331 100 SER CA C 57.6 0.4 1 502 331 100 SER CB C 64.9 0.4 1 503 331 100 SER N N 115.5 0.4 1 504 332 101 TRP H H 9.40 0.02 1 505 332 101 TRP HA H 4.28 0.02 1 506 332 101 TRP C C 177.3 0.4 1 507 332 101 TRP CA C 58.9 0.4 1 508 332 101 TRP CB C 28.9 0.4 1 509 332 101 TRP N N 121.4 0.4 1 510 333 102 GLU H H 8.20 0.02 1 511 333 102 GLU HA H 3.88 0.02 1 512 333 102 GLU C C 175.2 0.4 1 513 333 102 GLU CA C 56.3 0.4 1 514 333 102 GLU CB C 28.4 0.4 1 515 333 102 GLU N N 115.1 0.4 1 516 334 103 MET H H 6.87 0.02 1 517 334 103 MET HA H 4.18 0.02 1 518 334 103 MET C C 176.3 0.4 1 519 334 103 MET CA C 57.0 0.4 1 520 334 103 MET CB C 32.3 0.4 1 521 334 103 MET N N 121.6 0.4 1 522 335 104 SER H H 8.76 0.02 1 523 335 104 SER HA H 3.98 0.02 1 524 335 104 SER C C 176.0 0.4 1 525 335 104 SER CA C 59.9 0.4 1 526 335 104 SER CB C 63.5 0.4 1 527 335 104 SER N N 122.8 0.4 1 528 336 105 ARG H H 8.42 0.02 1 529 336 105 ARG HA H 3.98 0.02 1 530 336 105 ARG C C 175.2 0.4 1 531 336 105 ARG CA C 55.2 0.4 1 532 336 105 ARG CB C 29.8 0.4 1 533 336 105 ARG N N 122.3 0.4 1 534 337 106 ASP H H 8.03 0.02 1 535 337 106 ASP HA H 4.88 0.02 1 536 337 106 ASP C C 175.3 0.4 1 537 337 106 ASP CA C 52.1 0.4 1 538 337 106 ASP CB C 40.7 0.4 1 539 337 106 ASP N N 115.8 0.4 1 540 338 107 GLN H H 7.03 0.02 1 541 338 107 GLN HA H 4.40 0.02 1 542 338 107 GLN C C 174.8 0.4 1 543 338 107 GLN CA C 53.1 0.4 1 544 338 107 GLN CB C 31.0 0.4 1 545 338 107 GLN N N 116.9 0.4 1 546 339 108 VAL H H 8.23 0.02 1 547 339 108 VAL HA H 3.68 0.02 1 548 339 108 VAL C C 174.7 0.4 1 549 339 108 VAL CA C 61.1 0.4 1 550 339 108 VAL CB C 31.5 0.4 1 551 339 108 VAL N N 123.5 0.4 1 552 340 109 LEU H H 8.03 0.02 1 553 340 109 LEU HA H 3.32 0.02 1 554 340 109 LEU C C 173.9 0.4 1 555 340 109 LEU CA C 56.2 0.4 1 556 340 109 LEU CB C 42.1 0.4 1 557 340 109 LEU N N 125.9 0.4 1 558 341 110 GLY H H 8.22 0.02 1 559 341 110 GLY HA2 H 3.07 0.02 2 560 341 110 GLY HA3 H 3.07 0.02 2 561 341 110 GLY C C 173.8 0.4 1 562 341 110 GLY CA C 44.8 0.4 1 563 341 110 GLY N N 109.7 0.4 1 564 342 111 ARG H H 7.85 0.02 1 565 342 111 ARG HA H 4.00 0.02 1 566 342 111 ARG C C 173.8 0.4 1 567 342 111 ARG CA C 56.2 0.4 1 568 342 111 ARG CB C 27.1 0.4 1 569 342 111 ARG N N 120.0 0.4 1 570 343 112 THR H H 6.68 0.02 1 571 343 112 THR HA H 4.56 0.02 1 572 343 112 THR C C 174.0 0.4 1 573 343 112 THR CA C 58.7 0.4 1 574 343 112 THR CB C 71.1 0.4 1 575 343 112 THR N N 104.8 0.4 1 576 344 113 MET H H 8.99 0.02 1 577 344 113 MET HA H 4.58 0.02 1 578 344 113 MET C C 176.7 0.4 1 579 344 113 MET CA C 56.5 0.4 1 580 344 113 MET CB C 31.4 0.4 1 581 344 113 MET N N 119.1 0.4 1 582 345 114 ASP H H 8.44 0.02 1 583 345 114 ASP HA H 4.59 0.02 1 584 345 114 ASP C C 173.9 0.4 1 585 345 114 ASP CA C 52.4 0.4 1 586 345 114 ASP CB C 40.2 0.4 1 587 345 114 ASP N N 115.3 0.4 1 588 346 115 SER H H 7.55 0.02 1 589 346 115 SER HA H 5.23 0.02 1 590 346 115 SER C C 172.8 0.4 1 591 346 115 SER CA C 57.4 0.4 1 592 346 115 SER CB C 68.4 0.4 1 593 346 115 SER N N 110.4 0.4 1 594 347 116 CYS H H 8.38 0.02 1 595 347 116 CYS HA H 5.17 0.02 1 596 347 116 CYS C C 173.8 0.4 1 597 347 116 CYS CA C 57.6 0.4 1 598 347 116 CYS CB C 29.5 0.4 1 599 347 116 CYS N N 118.6 0.4 1 600 348 117 CYS H H 8.90 0.02 1 601 348 117 CYS HA H 5.63 0.02 1 602 348 117 CYS C C 171.5 0.4 1 603 348 117 CYS CA C 56.2 0.4 1 604 348 117 CYS CB C 31.6 0.4 1 605 348 117 CYS N N 120.2 0.4 1 606 349 118 VAL H H 7.86 0.02 1 607 349 118 VAL HA H 5.13 0.02 1 608 349 118 VAL C C 173.9 0.4 1 609 349 118 VAL CA C 59.9 0.4 1 610 349 118 VAL CB C 33.9 0.4 1 611 349 118 VAL N N 110.6 0.4 1 612 350 119 GLU H H 9.42 0.02 1 613 350 119 GLU HA H 5.09 0.02 1 614 350 119 GLU C C 173.8 0.4 1 615 350 119 GLU CA C 53.9 0.4 1 616 350 119 GLU CB C 34.0 0.4 1 617 350 119 GLU N N 124.4 0.4 1 618 351 120 TRP H H 7.52 0.02 1 619 351 120 TRP HA H 5.00 0.02 1 620 351 120 TRP C C 175.5 0.4 1 621 351 120 TRP CA C 54.2 0.4 1 622 351 120 TRP CB C 29.7 0.4 1 623 351 120 TRP N N 126.3 0.4 1 624 352 121 LYS H H 8.13 0.02 1 625 352 121 LYS HA H 4.05 0.02 1 626 352 121 LYS CA C 55.9 0.4 1 627 352 121 LYS CB C 33.8 0.4 1 628 352 121 LYS N N 125.4 0.4 1 629 353 122 GLY C C 174.0 0.4 1 630 353 122 GLY CA C 45.7 0.4 1 631 354 123 THR H H 6.62 0.02 1 632 354 123 THR HA H 4.05 0.02 1 633 354 123 THR C C 173.9 0.4 1 634 354 123 THR CA C 60.8 0.4 1 635 354 123 THR CB C 67.7 0.4 1 636 354 123 THR N N 107.6 0.4 1 637 355 124 SER H H 7.83 0.02 1 638 355 124 SER HA H 4.19 0.02 1 639 355 124 SER CA C 58.8 0.4 1 640 355 124 SER CB C 59.9 0.4 1 641 355 124 SER N N 113.7 0.4 1 642 356 125 GLN H H 5.37 0.02 1 643 356 125 GLN HA H 5.35 0.02 1 644 356 125 GLN C C 171.8 0.4 1 645 356 125 GLN CA C 53.5 0.4 1 646 356 125 GLN N N 113.7 0.4 1 647 357 126 LEU H H 8.85 0.02 1 648 357 126 LEU HA H 5.38 0.02 1 649 357 126 LEU C C 175.2 0.4 1 650 357 126 LEU CA C 52.6 0.4 1 651 357 126 LEU CB C 43.9 0.4 1 652 357 126 LEU N N 125.9 0.4 1 653 358 127 SER H H 9.57 0.02 1 654 358 127 SER HA H 5.11 0.02 1 655 358 127 SER C C 171.7 0.4 1 656 358 127 SER CA C 56.9 0.4 1 657 358 127 SER CB C 67.4 0.4 1 658 358 127 SER N N 123.5 0.4 1 659 359 128 ALA H H 8.67 0.02 1 660 359 128 ALA HA H 4.90 0.02 1 661 359 128 ALA C C 175.3 0.4 1 662 359 128 ALA CA C 49.6 0.4 1 663 359 128 ALA CB C 20.4 0.4 1 664 359 128 ALA N N 121.6 0.4 1 665 360 129 TRP H H 8.74 0.02 1 666 360 129 TRP HA H 4.88 0.02 1 667 360 129 TRP C C 174.6 0.4 1 668 360 129 TRP CA C 55.9 0.4 1 669 360 129 TRP CB C 31.4 0.4 1 670 360 129 TRP N N 120.9 0.4 1 671 361 130 HIS H H 8.23 0.02 1 672 361 130 HIS HA H 4.94 0.02 1 673 361 130 HIS C C 175.5 0.4 1 674 361 130 HIS CA C 56.6 0.4 1 675 361 130 HIS CB C 33.9 0.4 1 676 361 130 HIS N N 121.6 0.4 1 677 362 131 MET H H 9.72 0.02 1 678 362 131 MET HA H 4.06 0.02 1 679 362 131 MET C C 174.6 0.4 1 680 362 131 MET CA C 56.5 0.4 1 681 362 131 MET CB C 28.9 0.4 1 682 362 131 MET N N 127.3 0.4 1 683 363 132 VAL H H 9.84 0.02 1 684 363 132 VAL HA H 4.00 0.02 1 685 363 132 VAL C C 174.4 0.4 1 686 363 132 VAL CA C 62.9 0.4 1 687 363 132 VAL CB C 30.4 0.4 1 688 363 132 VAL N N 112.0 0.4 1 689 364 133 LYS H H 7.70 0.02 1 690 364 133 LYS HA H 4.40 0.02 1 691 364 133 LYS C C 174.6 0.4 1 692 364 133 LYS CA C 54.6 0.4 1 693 364 133 LYS CB C 34.5 0.4 1 694 364 133 LYS N N 120.2 0.4 1 695 365 134 GLU H H 8.08 0.02 1 696 365 134 GLU HA H 3.82 0.02 1 697 365 134 GLU C C 176.6 0.4 1 698 365 134 GLU CA C 54.2 0.4 1 699 365 134 GLU CB C 29.9 0.4 1 700 365 134 GLU N N 127.7 0.4 1 701 366 135 THR H H 8.95 0.02 1 702 366 135 THR HA H 4.18 0.02 1 703 366 135 THR C C 173.3 0.4 1 704 366 135 THR CA C 61.5 0.4 1 705 366 135 THR CB C 70.7 0.4 1 706 366 135 THR N N 125.4 0.4 1 707 367 136 VAL H H 8.77 0.02 1 708 367 136 VAL HA H 3.69 0.02 1 709 367 136 VAL C C 176.0 0.4 1 710 367 136 VAL CA C 64.1 0.4 1 711 367 136 VAL CB C 30.4 0.4 1 712 367 136 VAL N N 128.4 0.4 1 713 368 137 LEU H H 9.48 0.02 1 714 368 137 LEU HA H 4.48 0.02 1 715 368 137 LEU C C 177.3 0.4 1 716 368 137 LEU CA C 54.9 0.4 1 717 368 137 LEU CB C 42.1 0.4 1 718 368 137 LEU N N 128.7 0.4 1 719 369 138 GLY H H 7.49 0.02 1 720 369 138 GLY HA2 H 3.71 0.02 2 721 369 138 GLY HA3 H 3.71 0.02 2 722 369 138 GLY C C 172.5 0.4 1 723 369 138 GLY CA C 45.3 0.4 1 724 369 138 GLY N N 105.2 0.4 1 725 370 139 SER H H 8.63 0.02 1 726 370 139 SER C C 173.1 0.4 1 727 370 139 SER CA C 57.4 0.4 1 728 370 139 SER CB C 64.3 0.4 1 729 370 139 SER N N 112.9 0.4 1 730 371 140 ASP H H 8.36 0.02 1 731 371 140 ASP HA H 4.78 0.02 1 732 371 140 ASP C C 174.7 0.4 1 733 371 140 ASP CA C 53.3 0.4 1 734 371 140 ASP CB C 41.2 0.4 1 735 371 140 ASP N N 122.3 0.4 1 736 372 141 ARG H H 8.41 0.02 1 737 372 141 ARG HA H 4.29 0.02 1 738 372 141 ARG CA C 53.6 0.4 1 739 372 141 ARG CB C 30.0 0.4 1 740 372 141 ARG N N 128.0 0.4 1 741 373 142 PRO C C 174.5 0.4 1 742 373 142 PRO CA C 62.2 0.4 1 743 373 142 PRO CB C 32.3 0.4 1 744 374 143 GLY H H 9.32 0.02 1 745 374 143 GLY HA2 H 3.82 0.02 2 746 374 143 GLY HA3 H 3.82 0.02 2 747 374 143 GLY C C 173.6 0.4 1 748 374 143 GLY CA C 45.7 0.4 1 749 374 143 GLY N N 112.3 0.4 1 750 375 144 VAL H H 9.13 0.02 1 751 375 144 VAL HA H 4.63 0.02 1 752 375 144 VAL C C 174.8 0.4 1 753 375 144 VAL CA C 61.6 0.4 1 754 375 144 VAL CB C 31.9 0.4 1 755 375 144 VAL N N 128.0 0.4 1 756 376 145 VAL H H 8.74 0.02 1 757 376 145 VAL HA H 5.01 0.02 1 758 376 145 VAL C C 174.7 0.4 1 759 376 145 VAL CA C 59.9 0.4 1 760 376 145 VAL CB C 34.2 0.4 1 761 376 145 VAL N N 128.2 0.4 1 762 377 146 GLY H H 9.55 0.02 1 763 377 146 GLY HA2 H 3.49 0.02 2 764 377 146 GLY HA3 H 3.49 0.02 2 765 377 146 GLY C C 171.7 0.4 1 766 377 146 GLY CA C 44.2 0.4 1 767 377 146 GLY N N 114.8 0.4 1 768 378 147 ILE H H 8.57 0.02 1 769 378 147 ILE HA H 4.06 0.02 1 770 378 147 ILE C C 171.0 0.4 1 771 378 147 ILE CA C 61.3 0.4 1 772 378 147 ILE N N 126.6 0.4 1 773 379 148 TRP H H 8.64 0.02 1 774 379 148 TRP HA H 5.40 0.02 1 775 379 148 TRP C C 172.1 0.4 1 776 379 148 TRP CA C 53.0 0.4 1 777 379 148 TRP CB C 33.2 0.4 1 778 379 148 TRP N N 126.1 0.4 1 779 380 149 LEU H H 8.80 0.02 1 780 380 149 LEU HA H 4.42 0.02 1 781 380 149 LEU C C 172.7 0.4 1 782 380 149 LEU CA C 52.3 0.4 1 783 380 149 LEU CB C 43.8 0.4 1 784 380 149 LEU N N 127.5 0.4 1 785 381 150 ASN H H 8.39 0.02 1 786 381 150 ASN HA H 4.46 0.02 1 787 381 150 ASN C C 176.0 0.4 1 788 381 150 ASN CA C 49.7 0.4 1 789 381 150 ASN CB C 36.9 0.4 1 790 381 150 ASN N N 123.5 0.4 1 791 382 151 LEU H H 8.29 0.02 1 792 382 151 LEU HA H 4.79 0.02 1 793 382 151 LEU C C 177.7 0.4 1 794 382 151 LEU CA C 56.1 0.4 1 795 382 151 LEU CB C 40.1 0.4 1 796 382 151 LEU N N 122.8 0.4 1 797 383 152 GLU H H 7.56 0.02 1 798 383 152 GLU HA H 4.06 0.02 1 799 383 152 GLU C C 177.6 0.4 1 800 383 152 GLU CA C 58.5 0.4 1 801 383 152 GLU CB C 28.9 0.4 1 802 383 152 GLU N N 120.2 0.4 1 803 384 153 GLU H H 6.67 0.02 1 804 384 153 GLU HA H 4.26 0.02 1 805 384 153 GLU C C 176.0 0.4 1 806 384 153 GLU CA C 55.2 0.4 1 807 384 153 GLU CB C 31.3 0.4 1 808 384 153 GLU N N 114.1 0.4 1 809 385 154 GLY H H 7.56 0.02 1 810 385 154 GLY HA2 H 3.57 0.02 2 811 385 154 GLY HA3 H 3.57 0.02 2 812 385 154 GLY C C 174.1 0.4 1 813 385 154 GLY CA C 47.2 0.4 1 814 385 154 GLY N N 109.9 0.4 1 815 386 155 LYS H H 8.03 0.02 1 816 386 155 LYS HA H 4.97 0.02 1 817 386 155 LYS C C 172.5 0.4 1 818 386 155 LYS CA C 54.3 0.4 1 819 386 155 LYS CB C 36.9 0.4 1 820 386 155 LYS N N 119.1 0.4 1 821 387 156 LEU H H 8.50 0.02 1 822 387 156 LEU HA H 4.95 0.02 1 823 387 156 LEU C C 172.9 0.4 1 824 387 156 LEU CA C 52.9 0.4 1 825 387 156 LEU CB C 44.9 0.4 1 826 387 156 LEU N N 126.1 0.4 1 827 388 157 ALA H H 9.25 0.02 1 828 388 157 ALA HA H 5.29 0.02 1 829 388 157 ALA C C 173.6 0.4 1 830 388 157 ALA CA C 50.1 0.4 1 831 388 157 ALA CB C 24.2 0.4 1 832 388 157 ALA N N 127.5 0.4 1 833 389 158 PHE H H 8.69 0.02 1 834 389 158 PHE HA H 5.33 0.02 1 835 389 158 PHE C C 174.7 0.4 1 836 389 158 PHE CA C 55.4 0.4 1 837 389 158 PHE CB C 42.6 0.4 1 838 389 158 PHE N N 116.2 0.4 1 839 390 159 TYR H H 10.21 0.02 1 840 390 159 TYR HA H 5.34 0.02 1 841 390 159 TYR C C 176.3 0.4 1 842 390 159 TYR CA C 57.2 0.4 1 843 390 159 TYR CB C 42.6 0.4 1 844 390 159 TYR N N 121.6 0.4 1 845 391 160 SER H H 9.61 0.02 1 846 391 160 SER HA H 5.27 0.02 1 847 391 160 SER C C 175.7 0.4 1 848 391 160 SER CA C 56.6 0.4 1 849 391 160 SER CB C 64.1 0.4 1 850 391 160 SER N N 116.2 0.4 1 851 392 161 VAL H H 8.31 0.02 1 852 392 161 VAL HA H 5.21 0.02 1 853 392 161 VAL C C 175.3 0.4 1 854 392 161 VAL CA C 60.8 0.4 1 855 392 161 VAL CB C 31.3 0.4 1 856 392 161 VAL N N 121.6 0.4 1 857 393 162 ASP H H 8.01 0.02 1 858 393 162 ASP HA H 4.54 0.02 1 859 393 162 ASP CA C 55.4 0.4 1 860 393 162 ASP CB C 40.3 0.4 1 861 393 162 ASP N N 122.3 0.4 1 862 394 163 ASN C C 174.1 0.4 1 863 394 163 ASN CA C 54.5 0.4 1 864 394 163 ASN CB C 38.2 0.4 1 865 395 164 GLN H H 8.02 0.02 1 866 395 164 GLN HA H 4.18 0.02 1 867 395 164 GLN C C 174.4 0.4 1 868 395 164 GLN CA C 55.2 0.4 1 869 395 164 GLN CB C 29.5 0.4 1 870 395 164 GLN N N 117.2 0.4 1 871 396 165 GLU H H 8.56 0.02 1 872 396 165 GLU HA H 4.61 0.02 1 873 396 165 GLU C C 175.7 0.4 1 874 396 165 GLU CA C 57.0 0.4 1 875 396 165 GLU CB C 30.3 0.4 1 876 396 165 GLU N N 122.8 0.4 1 877 397 166 LYS H H 8.68 0.02 1 878 397 166 LYS HA H 4.70 0.02 1 879 397 166 LYS C C 175.1 0.4 1 880 397 166 LYS CA C 55.1 0.4 1 881 397 166 LYS CB C 35.2 0.4 1 882 397 166 LYS N N 126.1 0.4 1 883 398 167 LEU H H 8.94 0.02 1 884 398 167 LEU HA H 5.31 0.02 1 885 398 167 LEU C C 176.2 0.4 1 886 398 167 LEU CA C 56.2 0.4 1 887 398 167 LEU CB C 41.6 0.4 1 888 398 167 LEU N N 128.7 0.4 1 889 399 168 LEU H H 9.52 0.02 1 890 399 168 LEU HA H 4.48 0.02 1 891 399 168 LEU C C 176.9 0.4 1 892 399 168 LEU CA C 55.1 0.4 1 893 399 168 LEU CB C 42.8 0.4 1 894 399 168 LEU N N 126.8 0.4 1 895 400 169 TYR H H 7.32 0.02 1 896 400 169 TYR HA H 4.46 0.02 1 897 400 169 TYR C C 171.6 0.4 1 898 400 169 TYR CA C 58.2 0.4 1 899 400 169 TYR CB C 41.2 0.4 1 900 400 169 TYR N N 116.2 0.4 1 901 401 170 GLU H H 7.45 0.02 1 902 401 170 GLU HA H 5.28 0.02 1 903 401 170 GLU C C 172.6 0.4 1 904 401 170 GLU CA C 54.0 0.4 1 905 401 170 GLU CB C 33.6 0.4 1 906 401 170 GLU N N 126.3 0.4 1 907 402 171 CYS H H 9.04 0.02 1 908 402 171 CYS HA H 4.65 0.02 1 909 402 171 CYS C C 172.4 0.4 1 910 402 171 CYS CA C 54.9 0.4 1 911 402 171 CYS CB C 31.3 0.4 1 912 402 171 CYS N N 116.9 0.4 1 913 403 172 THR H H 8.03 0.02 1 914 403 172 THR HA H 4.88 0.02 1 915 403 172 THR C C 173.8 0.4 1 916 403 172 THR CA C 61.1 0.4 1 917 403 172 THR CB C 69.8 0.4 1 918 403 172 THR N N 114.1 0.4 1 919 404 173 ILE H H 7.90 0.02 1 920 404 173 ILE HA H 4.60 0.02 1 921 404 173 ILE C C 173.1 0.4 1 922 404 173 ILE CA C 58.1 0.4 1 923 404 173 ILE CB C 42.1 0.4 1 924 404 173 ILE N N 121.9 0.4 1 925 405 174 SER H H 8.05 0.02 1 926 405 174 SER HA H 4.46 0.02 1 927 405 174 SER C C 173.3 0.4 1 928 405 174 SER CA C 56.6 0.4 1 929 405 174 SER CB C 64.3 0.4 1 930 405 174 SER N N 118.1 0.4 1 931 406 175 ALA H H 8.64 0.02 1 932 406 175 ALA HA H 4.65 0.02 1 933 406 175 ALA C C 176.8 0.4 1 934 406 175 ALA CA C 50.9 0.4 1 935 406 175 ALA CB C 19.2 0.4 1 936 406 175 ALA N N 127.5 0.4 1 937 407 176 SER H H 8.35 0.02 1 938 407 176 SER N N 116.9 0.4 1 939 409 178 PRO C C 174.8 0.4 1 940 409 178 PRO CA C 63.6 0.4 1 941 409 178 PRO CB C 32.3 0.4 1 942 410 179 LEU H H 7.96 0.02 1 943 410 179 LEU HA H 4.72 0.02 1 944 410 179 LEU C C 174.5 0.4 1 945 410 179 LEU CA C 52.6 0.4 1 946 410 179 LEU CB C 46.3 0.4 1 947 410 179 LEU N N 120.9 0.4 1 948 411 180 TYR H H 8.82 0.02 1 949 411 180 TYR HA H 5.61 0.02 1 950 411 180 TYR CA C 54.3 0.4 1 951 411 180 TYR CB C 39.9 0.4 1 952 411 180 TYR N N 116.5 0.4 1 953 412 181 PRO C C 174.9 0.4 1 954 412 181 PRO CA C 63.3 0.4 1 955 412 181 PRO CB C 30.9 0.4 1 956 413 182 ALA H H 8.18 0.02 1 957 413 182 ALA HA H 5.31 0.02 1 958 413 182 ALA C C 175.7 0.4 1 959 413 182 ALA CA C 51.3 0.4 1 960 413 182 ALA CB C 25.8 0.4 1 961 413 182 ALA N N 126.1 0.4 1 962 414 183 PHE H H 8.17 0.02 1 963 414 183 PHE HA H 5.07 0.02 1 964 414 183 PHE C C 172.4 0.4 1 965 414 183 PHE CA C 57.2 0.4 1 966 414 183 PHE CB C 42.6 0.4 1 967 414 183 PHE N N 117.9 0.4 1 968 415 184 TRP H H 9.55 0.02 1 969 415 184 TRP HA H 5.11 0.02 1 970 415 184 TRP C C 174.3 0.4 1 971 415 184 TRP CA C 57.3 0.4 1 972 415 184 TRP CB C 31.7 0.4 1 973 415 184 TRP N N 123.5 0.4 1 974 416 185 LEU H H 7.51 0.02 1 975 416 185 LEU HA H 4.30 0.02 1 976 416 185 LEU C C 173.9 0.4 1 977 416 185 LEU CA C 54.8 0.4 1 978 416 185 LEU CB C 45.3 0.4 1 979 416 185 LEU N N 125.4 0.4 1 980 417 186 TYR H H 6.60 0.02 1 981 417 186 TYR HA H 4.39 0.02 1 982 417 186 TYR C C 177.3 0.4 1 983 417 186 TYR CA C 57.8 0.4 1 984 417 186 TYR CB C 39.0 0.4 1 985 417 186 TYR N N 118.6 0.4 1 986 418 187 GLY H H 8.42 0.02 1 987 418 187 GLY HA2 H 4.60 0.02 2 988 418 187 GLY HA3 H 4.60 0.02 2 989 418 187 GLY CA C 45.3 0.4 1 990 418 187 GLY N N 115.5 0.4 1 991 419 188 LEU C C 174.9 0.4 1 992 419 188 LEU CA C 54.2 0.4 1 993 419 188 LEU CB C 40.6 0.4 1 994 420 189 HIS H H 6.23 0.02 1 995 420 189 HIS HA H 5.26 0.02 1 996 420 189 HIS CA C 51.5 0.4 1 997 420 189 HIS CB C 30.8 0.4 1 998 420 189 HIS N N 116.5 0.4 1 999 421 190 PRO C C 176.9 0.4 1 1000 421 190 PRO CA C 63.0 0.4 1 1001 421 190 PRO CB C 30.8 0.4 1 1002 422 191 GLY H H 8.72 0.02 1 1003 422 191 GLY HA2 H 3.69 0.02 2 1004 422 191 GLY HA3 H 3.69 0.02 2 1005 422 191 GLY C C 175.0 0.4 1 1006 422 191 GLY CA C 44.6 0.4 1 1007 422 191 GLY N N 111.3 0.4 1 1008 423 192 ASN H H 7.55 0.02 1 1009 423 192 ASN HA H 5.03 0.02 1 1010 423 192 ASN C C 175.2 0.4 1 1011 423 192 ASN CA C 52.7 0.4 1 1012 423 192 ASN CB C 40.8 0.4 1 1013 423 192 ASN N N 120.7 0.4 1 1014 424 193 TYR H H 7.83 0.02 1 1015 424 193 TYR HA H 5.31 0.02 1 1016 424 193 TYR C C 174.2 0.4 1 1017 424 193 TYR CA C 56.1 0.4 1 1018 424 193 TYR CB C 41.6 0.4 1 1019 424 193 TYR N N 114.8 0.4 1 1020 425 194 LEU H H 8.67 0.02 1 1021 425 194 LEU HA H 4.49 0.02 1 1022 425 194 LEU C C 174.2 0.4 1 1023 425 194 LEU CA C 53.1 0.4 1 1024 425 194 LEU CB C 46.3 0.4 1 1025 425 194 LEU N N 118.8 0.4 1 1026 426 195 ILE H H 7.14 0.02 1 1027 426 195 ILE HA H 5.08 0.02 1 1028 426 195 ILE C C 175.7 0.4 1 1029 426 195 ILE CA C 59.6 0.4 1 1030 426 195 ILE CB C 42.9 0.4 1 1031 426 195 ILE N N 117.2 0.4 1 1032 427 196 ILE H H 9.12 0.02 1 1033 427 196 ILE HA H 4.30 0.02 1 1034 427 196 ILE C C 175.1 0.4 1 1035 427 196 ILE CA C 61.6 0.4 1 1036 427 196 ILE CB C 36.6 0.4 1 1037 427 196 ILE N N 128.0 0.4 1 1038 428 197 LYS H H 8.33 0.02 1 1039 428 197 LYS HA H 4.30 0.02 1 1040 428 197 LYS C C 175.0 0.4 1 1041 428 197 LYS CA C 55.3 0.4 1 1042 428 197 LYS CB C 34.2 0.4 1 1043 428 197 LYS N N 130.8 0.4 1 1044 429 198 GLN H H 8.44 0.02 1 1045 429 198 GLN HA H 3.97 0.02 1 1046 429 198 GLN C C 175.7 0.4 1 1047 429 198 GLN CA C 55.4 0.4 1 1048 429 198 GLN CB C 28.2 0.4 1 1049 429 198 GLN N N 123.0 0.4 1 1050 430 199 VAL H H 9.51 0.02 1 1051 430 199 VAL HA H 4.06 0.02 1 1052 430 199 VAL C C 175.5 0.4 1 1053 430 199 VAL CA C 63.2 0.4 1 1054 430 199 VAL CB C 32.2 0.4 1 1055 430 199 VAL N N 131.3 0.4 1 1056 431 200 LYS H H 8.45 0.02 1 1057 431 200 LYS HA H 4.96 0.02 1 1058 431 200 LYS C C 175.6 0.4 1 1059 431 200 LYS CA C 55.9 0.4 1 1060 431 200 LYS CB C 33.0 0.4 1 1061 431 200 LYS N N 126.3 0.4 1 1062 432 201 VAL H H 8.12 0.02 1 1063 432 201 VAL HA H 4.06 0.02 1 1064 432 201 VAL C C 176.3 0.4 1 1065 432 201 VAL CA C 61.6 0.4 1 1066 432 201 VAL CB C 32.8 0.4 1 1067 432 201 VAL N N 121.6 0.4 1 stop_ save_