data_17608 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RLIP76 (GAP-GBD) ; _BMRB_accession_number 17608 _BMRB_flat_file_name bmr17608.str _Entry_type original _Submission_date 2011-04-28 _Accession_date 2011-04-28 _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 Rajasekar Karthik V. . 2 Campbell Louise J. . 3 Nietlispach Daniel . . 4 Owen Darerca . . 5 Mott Helen R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1527 "13C chemical shifts" 1122 "15N chemical shifts" 269 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-28 update BMRB 'update entry citation' 2011-10-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of the GTPase-activating (GAP) and Ral binding domains (GBD) of RLIP76 (RalBP1).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21915608 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rajasekar Karthik V. . 2 Campbell Louise J. . 3 Nietlispach Daniel . . 4 Owen Darerca . . 5 Mott Helen R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 119 _Page_last 122 _Year 2012 _Details . loop_ _Keyword Endocytosis RalBP1 'Ral GTPase' RLIP76 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RLIP76-GAP-GBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RLIP76-GAP-GBD $RLIP76-GAP-GBD 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_RLIP76-GAP-GBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RLIP76-GAP-GBD _Molecular_mass 30973 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 265 _Mol_residue_sequence ; HMPNLKPIFGIPLADAVERT MMYDGIRLPAVFRECIDYVE KYGMKCEGIYRVSGIKSKVD ELKAAYDREESTNLEDYEPN TVASLLKQYLRDLPENLLTK ELMPRFEEACGRTTETEKVQ EFQRLLKELPECNYLLISWL IVHMDHVIAKELETKMNIQN ISIVLSPTVQISNRVLYVFF THVQELFGNVVLKQVMKPLR WSNMATMPTLPETQAGIKEE IRRQEFLLNCLHRDLQGGIK DLSKEERLWEVQRILTALKR KLREA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 182 HIS 2 183 MET 3 184 PRO 4 185 ASN 5 186 LEU 6 187 LYS 7 188 PRO 8 189 ILE 9 190 PHE 10 191 GLY 11 192 ILE 12 193 PRO 13 194 LEU 14 195 ALA 15 196 ASP 16 197 ALA 17 198 VAL 18 199 GLU 19 200 ARG 20 201 THR 21 202 MET 22 203 MET 23 204 TYR 24 205 ASP 25 206 GLY 26 207 ILE 27 208 ARG 28 209 LEU 29 210 PRO 30 211 ALA 31 212 VAL 32 213 PHE 33 214 ARG 34 215 GLU 35 216 CYS 36 217 ILE 37 218 ASP 38 219 TYR 39 220 VAL 40 221 GLU 41 222 LYS 42 223 TYR 43 224 GLY 44 225 MET 45 226 LYS 46 227 CYS 47 228 GLU 48 229 GLY 49 230 ILE 50 231 TYR 51 232 ARG 52 233 VAL 53 234 SER 54 235 GLY 55 236 ILE 56 237 LYS 57 238 SER 58 239 LYS 59 240 VAL 60 241 ASP 61 242 GLU 62 243 LEU 63 244 LYS 64 245 ALA 65 246 ALA 66 247 TYR 67 248 ASP 68 249 ARG 69 250 GLU 70 251 GLU 71 252 SER 72 253 THR 73 254 ASN 74 255 LEU 75 256 GLU 76 257 ASP 77 258 TYR 78 259 GLU 79 260 PRO 80 261 ASN 81 262 THR 82 263 VAL 83 264 ALA 84 265 SER 85 266 LEU 86 267 LEU 87 268 LYS 88 269 GLN 89 270 TYR 90 271 LEU 91 272 ARG 92 273 ASP 93 274 LEU 94 275 PRO 95 276 GLU 96 277 ASN 97 278 LEU 98 279 LEU 99 280 THR 100 281 LYS 101 282 GLU 102 283 LEU 103 284 MET 104 285 PRO 105 286 ARG 106 287 PHE 107 288 GLU 108 289 GLU 109 290 ALA 110 291 CYS 111 292 GLY 112 293 ARG 113 294 THR 114 295 THR 115 296 GLU 116 297 THR 117 298 GLU 118 299 LYS 119 300 VAL 120 301 GLN 121 302 GLU 122 303 PHE 123 304 GLN 124 305 ARG 125 306 LEU 126 307 LEU 127 308 LYS 128 309 GLU 129 310 LEU 130 311 PRO 131 312 GLU 132 313 CYS 133 314 ASN 134 315 TYR 135 316 LEU 136 317 LEU 137 318 ILE 138 319 SER 139 320 TRP 140 321 LEU 141 322 ILE 142 323 VAL 143 324 HIS 144 325 MET 145 326 ASP 146 327 HIS 147 328 VAL 148 329 ILE 149 330 ALA 150 331 LYS 151 332 GLU 152 333 LEU 153 334 GLU 154 335 THR 155 336 LYS 156 337 MET 157 338 ASN 158 339 ILE 159 340 GLN 160 341 ASN 161 342 ILE 162 343 SER 163 344 ILE 164 345 VAL 165 346 LEU 166 347 SER 167 348 PRO 168 349 THR 169 350 VAL 170 351 GLN 171 352 ILE 172 353 SER 173 354 ASN 174 355 ARG 175 356 VAL 176 357 LEU 177 358 TYR 178 359 VAL 179 360 PHE 180 361 PHE 181 362 THR 182 363 HIS 183 364 VAL 184 365 GLN 185 366 GLU 186 367 LEU 187 368 PHE 188 369 GLY 189 370 ASN 190 371 VAL 191 372 VAL 192 373 LEU 193 374 LYS 194 375 GLN 195 376 VAL 196 377 MET 197 378 LYS 198 379 PRO 199 380 LEU 200 381 ARG 201 382 TRP 202 383 SER 203 384 ASN 204 385 MET 205 386 ALA 206 387 THR 207 388 MET 208 389 PRO 209 390 THR 210 391 LEU 211 392 PRO 212 393 GLU 213 394 THR 214 395 GLN 215 396 ALA 216 397 GLY 217 398 ILE 218 399 LYS 219 400 GLU 220 401 GLU 221 402 ILE 222 403 ARG 223 404 ARG 224 405 GLN 225 406 GLU 226 407 PHE 227 408 LEU 228 409 LEU 229 410 ASN 230 411 CYS 231 412 LEU 232 413 HIS 233 414 ARG 234 415 ASP 235 416 LEU 236 417 GLN 237 418 GLY 238 419 GLY 239 420 ILE 240 421 LYS 241 422 ASP 242 423 LEU 243 424 SER 244 425 LYS 245 426 GLU 246 427 GLU 247 428 ARG 248 429 LEU 249 430 TRP 250 431 GLU 251 432 VAL 252 433 GLN 253 434 ARG 254 435 ILE 255 436 LEU 256 437 THR 257 438 ALA 258 439 LEU 259 440 LYS 260 441 ARG 261 442 LYS 262 443 LEU 263 444 ARG 264 445 GLU 265 446 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 2MBG "Rlip76 (gap-gbd)" 100.00 265 100.00 100.00 0.00e+00 DBJ BAD93161 "ralA binding protein 1 variant [Homo sapiens]" 95.47 462 100.00 100.00 0.00e+00 DBJ BAJ20384 "ralA binding protein 1 [synthetic construct]" 99.62 655 99.62 100.00 0.00e+00 GB AAB00103 "RLIP76 protein [Homo sapiens]" 99.62 655 99.62 100.00 0.00e+00 GB AAH13126 "RalA binding protein 1 [Homo sapiens]" 99.62 655 99.62 100.00 0.00e+00 GB AAT44527 "hypothetical rhabdomyosarcoma antigen MU-RMS-40.2A [Homo sapiens]" 92.45 407 100.00 100.00 5.47e-178 GB ABM82530 "ralA binding protein 1 [synthetic construct]" 99.62 655 99.62 100.00 0.00e+00 GB ABW03389 "ralA binding protein 1 [synthetic construct]" 99.62 655 99.62 100.00 0.00e+00 REF NP_006779 "ralA-binding protein 1 [Homo sapiens]" 99.62 655 99.62 100.00 0.00e+00 REF XP_001138420 "PREDICTED: ralA-binding protein 1 [Pan troglodytes]" 99.62 655 99.24 99.62 0.00e+00 REF XP_001138511 "PREDICTED: ralA-binding protein 1 [Pan troglodytes]" 99.62 655 99.24 99.62 0.00e+00 REF XP_002757099 "PREDICTED: ralA-binding protein 1 [Callithrix jacchus]" 99.62 655 98.48 99.62 0.00e+00 REF XP_002828087 "PREDICTED: ralA-binding protein 1 [Pongo abelii]" 99.62 655 99.24 99.62 0.00e+00 SP Q15311 "RecName: Full=RalA-binding protein 1; Short=RalBP1; AltName: Full=76 kDa Ral-interacting protein; AltName: Full=Dinitrophenyl S" 99.62 655 99.62 100.00 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 $RLIP76-GAP-GBD Humans 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 $RLIP76-GAP-GBD 'recombinant technology' . Escherichia coli BL21-DE3 pET16b 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 $RLIP76-GAP-GBD 0.7 mM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DTT 5 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RLIP76-GAP-GBD 0.7 mM '[U-100% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DTT 5 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RLIP76-GAP-GBD 0.6 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DTT 5 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RLIP76-GAP-GBD 0.4 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DTT 5 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPN-Analysis _Saveframe_category software _Name CCPN-Analysis _Version . loop_ _Vendor _Address _Electronic_address '(CCPN)- Vranken et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N-TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N-TROSY' _Sample_label $sample_2 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_4 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_4 save_ save_3D_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_4 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_4 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HBHA(CBCACO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label $sample_3 save_ save_3D_H(C)CH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH TOCSY' _Sample_label $sample_3 save_ save_3D_(H)CCH_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_H(C)CH_COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH COSY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.9 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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-TROSY' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CB' '3D HN(COCA)CB' '3D HNCO' '3D HBHA(CBCACO)NH' '3D H(C)CH TOCSY' '3D (H)CCH TOCSY' '3D 1H-13C NOESY' '2D 1H-13C HSQC' '3D H(C)CH COSY' stop_ loop_ _Sample_label $sample_2 $sample_4 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RLIP76-GAP-GBD _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 1 182 1 HIS HA H 3.869 0.019 1 2 182 1 HIS HB2 H 2.943 0.009 1 3 182 1 HIS HB3 H 2.943 0.009 1 4 182 1 HIS HD2 H 6.914 0.007 1 5 182 1 HIS CA C 56.619 0.086 1 6 182 1 HIS CB C 33.064 0.075 1 7 182 1 HIS CD2 C 120.146 0.087 1 8 183 2 MET HE H 2.040 0.002 1 9 183 2 MET CE C 17.079 0.016 1 10 184 3 PRO HA H 4.307 0.006 1 11 184 3 PRO HB2 H 2.209 0.005 2 12 184 3 PRO HB3 H 1.812 0.005 2 13 184 3 PRO HG2 H 1.937 0.005 1 14 184 3 PRO HG3 H 1.937 0.005 1 15 184 3 PRO HD2 H 3.647 0.020 2 16 184 3 PRO HD3 H 3.614 0.014 2 17 184 3 PRO CA C 63.255 0.014 1 18 184 3 PRO CB C 32.117 0.025 1 19 184 3 PRO CG C 27.345 0.047 1 20 184 3 PRO CD C 50.645 0.031 1 21 185 4 ASN H H 8.469 0.020 1 22 185 4 ASN HA H 4.571 0.008 1 23 185 4 ASN HB2 H 2.671 0.018 2 24 185 4 ASN HB3 H 2.745 0.023 2 25 185 4 ASN HD21 H 7.563 0.014 1 26 185 4 ASN HD22 H 6.791 0.004 1 27 185 4 ASN C C 174.716 0.000 1 28 185 4 ASN CA C 53.061 0.043 1 29 185 4 ASN CB C 38.526 0.124 1 30 185 4 ASN N N 118.172 0.054 1 31 185 4 ASN ND2 N 111.999 0.090 1 32 186 5 LEU H H 8.051 0.008 1 33 186 5 LEU HA H 4.253 0.009 1 34 186 5 LEU HB2 H 1.525 0.004 1 35 186 5 LEU HB3 H 1.525 0.004 1 36 186 5 LEU HG H 1.508 0.008 1 37 186 5 LEU HD1 H 0.784 0.013 2 38 186 5 LEU HD2 H 0.812 0.019 2 39 186 5 LEU C C 176.937 0.000 1 40 186 5 LEU CA C 55.295 0.037 1 41 186 5 LEU CB C 42.555 0.086 1 42 186 5 LEU CG C 26.983 0.033 1 43 186 5 LEU CD1 C 23.815 0.123 2 44 186 5 LEU CD2 C 24.884 0.056 2 45 186 5 LEU N N 122.574 0.067 1 46 187 6 LYS H H 8.523 0.014 1 47 187 6 LYS HA H 4.610 0.012 1 48 187 6 LYS HB2 H 1.707 0.023 2 49 187 6 LYS HB3 H 1.678 0.010 2 50 187 6 LYS HG2 H 1.426 0.013 2 51 187 6 LYS HG3 H 1.329 0.014 2 52 187 6 LYS HD2 H 1.588 0.003 1 53 187 6 LYS HD3 H 1.588 0.003 1 54 187 6 LYS HE2 H 2.901 0.015 1 55 187 6 LYS HE3 H 2.901 0.015 1 56 187 6 LYS CA C 54.033 0.001 1 57 187 6 LYS CB C 32.579 0.098 1 58 187 6 LYS CG C 24.807 0.147 1 59 187 6 LYS CD C 29.142 0.102 1 60 187 6 LYS CE C 42.160 0.016 1 61 187 6 LYS N N 124.098 0.027 1 62 188 7 PRO HA H 4.705 0.004 1 63 188 7 PRO HB2 H 2.150 0.011 2 64 188 7 PRO HB3 H 2.197 0.020 2 65 188 7 PRO HG2 H 1.938 0.000 1 66 188 7 PRO HG3 H 1.938 0.000 1 67 188 7 PRO HD2 H 3.489 0.006 1 68 188 7 PRO HD3 H 3.489 0.006 1 69 188 7 PRO C C 174.277 0.000 1 70 188 7 PRO CA C 63.365 0.000 1 71 188 7 PRO CB C 32.373 0.031 1 72 188 7 PRO CG C 27.331 0.024 1 73 188 7 PRO CD C 49.963 0.018 1 74 189 8 ILE H H 8.875 0.008 1 75 189 8 ILE HA H 4.354 0.026 1 76 189 8 ILE HB H 2.194 0.012 1 77 189 8 ILE HG12 H 1.720 0.019 2 78 189 8 ILE HG13 H 1.670 0.024 2 79 189 8 ILE HG2 H 0.936 0.009 1 80 189 8 ILE HD1 H 0.737 0.015 1 81 189 8 ILE C C 177.650 0.000 1 82 189 8 ILE CA C 59.957 0.120 1 83 189 8 ILE CB C 39.284 0.084 1 84 189 8 ILE CG1 C 26.940 0.064 1 85 189 8 ILE CG2 C 17.335 0.090 1 86 189 8 ILE CD1 C 11.047 0.046 1 87 189 8 ILE N N 116.734 0.174 1 88 190 9 PHE H H 10.636 0.010 1 89 190 9 PHE HA H 3.673 0.023 1 90 190 9 PHE HB2 H 2.546 0.000 2 91 190 9 PHE HB3 H 3.082 0.000 2 92 190 9 PHE HD1 H 7.865 0.007 3 93 190 9 PHE HD2 H 7.865 0.007 3 94 190 9 PHE HE1 H 7.153 0.000 3 95 190 9 PHE HE2 H 7.153 0.000 3 96 190 9 PHE C C 178.491 0.000 1 97 190 9 PHE CA C 59.794 0.000 1 98 190 9 PHE CB C 37.229 0.000 1 99 190 9 PHE CD1 C 132.790 0.039 3 100 190 9 PHE CD2 C 132.790 0.039 3 101 190 9 PHE N N 126.209 0.049 1 102 191 10 GLY H H 9.242 0.007 1 103 191 10 GLY HA2 H 4.231 0.008 2 104 191 10 GLY HA3 H 4.130 0.011 2 105 191 10 GLY C C 174.249 0.000 1 106 191 10 GLY CA C 44.987 0.140 1 107 191 10 GLY N N 111.159 0.051 1 108 192 11 ILE H H 6.707 0.010 1 109 192 11 ILE HA H 4.855 0.015 1 110 192 11 ILE HB H 2.192 0.017 1 111 192 11 ILE HG12 H 1.602 0.011 2 112 192 11 ILE HG13 H 1.356 0.009 2 113 192 11 ILE HG2 H 0.684 0.012 1 114 192 11 ILE HD1 H 0.871 0.009 1 115 192 11 ILE CA C 58.726 0.100 1 116 192 11 ILE CB C 36.333 0.123 1 117 192 11 ILE CG1 C 24.462 0.086 1 118 192 11 ILE CG2 C 17.257 0.070 1 119 192 11 ILE CD1 C 14.683 0.053 1 120 192 11 ILE N N 113.457 0.063 1 121 193 12 PRO HA H 4.117 0.002 1 122 193 12 PRO HB2 H 2.340 0.000 2 123 193 12 PRO HB3 H 1.660 0.000 2 124 193 12 PRO HG2 H 2.109 0.000 2 125 193 12 PRO HG3 H 1.840 0.000 2 126 193 12 PRO HD2 H 3.869 0.000 2 127 193 12 PRO HD3 H 3.655 0.000 2 128 193 12 PRO C C 176.992 0.000 1 129 193 12 PRO CA C 63.556 0.000 1 130 193 12 PRO CB C 32.026 0.000 1 131 194 13 LEU H H 9.108 0.014 1 132 194 13 LEU HA H 3.782 0.015 1 133 194 13 LEU HB2 H 1.512 0.010 1 134 194 13 LEU HB3 H 1.512 0.010 1 135 194 13 LEU HG H 1.316 0.015 1 136 194 13 LEU HD1 H 0.557 0.013 2 137 194 13 LEU HD2 H 0.740 0.009 2 138 194 13 LEU C C 177.953 0.000 1 139 194 13 LEU CA C 58.270 0.008 1 140 194 13 LEU CB C 41.857 0.001 1 141 194 13 LEU CG C 27.197 0.001 1 142 194 13 LEU CD1 C 25.308 0.020 2 143 194 13 LEU CD2 C 23.536 0.039 2 144 194 13 LEU N N 126.677 0.090 1 145 195 14 ALA H H 8.988 0.007 1 146 195 14 ALA HA H 3.894 0.008 1 147 195 14 ALA HB H 1.357 0.005 1 148 195 14 ALA C C 180.444 0.000 1 149 195 14 ALA CA C 55.596 0.040 1 150 195 14 ALA CB C 18.353 0.037 1 151 195 14 ALA N N 116.381 0.060 1 152 196 15 ASP H H 7.180 0.006 1 153 196 15 ASP HA H 4.390 0.011 1 154 196 15 ASP HB2 H 2.752 0.015 2 155 196 15 ASP HB3 H 2.606 0.020 2 156 196 15 ASP C C 178.180 0.000 1 157 196 15 ASP CA C 56.771 0.086 1 158 196 15 ASP CB C 40.359 0.188 1 159 196 15 ASP N N 118.195 0.052 1 160 197 16 ALA H H 8.049 0.006 1 161 197 16 ALA HA H 3.888 0.017 1 162 197 16 ALA HB H 1.456 0.005 1 163 197 16 ALA C C 181.638 0.000 1 164 197 16 ALA CA C 55.639 0.084 1 165 197 16 ALA CB C 18.266 0.033 1 166 197 16 ALA N N 122.662 0.073 1 167 198 17 VAL H H 8.602 0.015 1 168 198 17 VAL HA H 2.888 0.012 1 169 198 17 VAL HB H 2.054 0.013 1 170 198 17 VAL HG1 H 0.617 0.011 2 171 198 17 VAL HG2 H 0.606 0.015 2 172 198 17 VAL C C 176.081 0.000 1 173 198 17 VAL CA C 67.415 0.060 1 174 198 17 VAL CB C 31.278 0.120 1 175 198 17 VAL CG1 C 23.399 0.031 2 176 198 17 VAL CG2 C 21.711 0.084 2 177 198 17 VAL N N 121.099 0.067 1 178 199 18 GLU H H 7.769 0.007 1 179 199 18 GLU HA H 3.814 0.017 1 180 199 18 GLU HB2 H 1.879 0.011 2 181 199 18 GLU HB3 H 2.076 0.014 2 182 199 18 GLU HG2 H 2.282 0.008 1 183 199 18 GLU HG3 H 2.282 0.008 1 184 199 18 GLU C C 179.224 0.000 1 185 199 18 GLU CA C 59.567 0.063 1 186 199 18 GLU CB C 29.304 0.170 1 187 199 18 GLU CG C 35.997 0.184 1 188 199 18 GLU N N 118.204 0.050 1 189 200 19 ARG H H 7.609 0.011 1 190 200 19 ARG HA H 4.155 0.006 1 191 200 19 ARG HB2 H 2.077 0.000 1 192 200 19 ARG HB3 H 2.077 0.000 1 193 200 19 ARG HG2 H 1.577 0.000 2 194 200 19 ARG HG3 H 1.726 0.000 2 195 200 19 ARG HD2 H 3.239 0.012 2 196 200 19 ARG HD3 H 3.235 0.012 2 197 200 19 ARG C C 178.787 0.000 1 198 200 19 ARG CA C 58.693 0.004 1 199 200 19 ARG CB C 33.012 0.000 1 200 200 19 ARG CD C 43.841 0.051 1 201 200 19 ARG N N 111.562 0.050 1 202 201 20 THR H H 7.498 0.008 1 203 201 20 THR HA H 4.934 0.010 1 204 201 20 THR HB H 4.434 0.011 1 205 201 20 THR HG1 H 4.452 0.001 1 206 201 20 THR HG2 H 1.294 0.007 1 207 201 20 THR C C 174.275 0.000 1 208 201 20 THR CA C 61.548 0.018 1 209 201 20 THR CB C 71.636 0.000 1 210 201 20 THR CG2 C 21.953 0.026 1 211 201 20 THR N N 103.429 0.072 1 212 202 21 MET H H 8.205 0.005 1 213 202 21 MET HA H 4.430 0.010 1 214 202 21 MET HB2 H 2.049 0.010 2 215 202 21 MET HB3 H 2.261 0.006 2 216 202 21 MET HG2 H 2.318 0.005 2 217 202 21 MET HG3 H 2.776 0.009 2 218 202 21 MET HE H 1.868 0.001 1 219 202 21 MET C C 175.224 0.000 1 220 202 21 MET CA C 57.469 0.016 1 221 202 21 MET CB C 32.995 0.062 1 222 202 21 MET CG C 30.542 0.032 1 223 202 21 MET CE C 16.780 0.046 1 224 202 21 MET N N 122.895 0.061 1 225 203 22 MET H H 8.269 0.005 1 226 203 22 MET HA H 4.485 0.018 1 227 203 22 MET HE H 2.220 0.001 1 228 203 22 MET C C 177.689 0.000 1 229 203 22 MET CA C 55.651 0.000 1 230 203 22 MET CB C 34.432 0.000 1 231 203 22 MET CE C 19.259 0.019 1 232 203 22 MET N N 118.661 0.086 1 233 204 23 TYR H H 8.133 0.014 1 234 204 23 TYR HB2 H 2.741 0.003 1 235 204 23 TYR HB3 H 2.741 0.003 1 236 204 23 TYR HD1 H 6.882 0.004 3 237 204 23 TYR HD2 H 6.882 0.004 3 238 204 23 TYR HE1 H 7.321 0.000 3 239 204 23 TYR HE2 H 7.321 0.000 3 240 204 23 TYR C C 174.256 0.000 1 241 204 23 TYR CA C 58.963 0.000 1 242 204 23 TYR CB C 38.285 0.000 1 243 204 23 TYR N N 117.049 0.078 1 244 205 24 ASP H H 6.380 0.005 1 245 205 24 ASP HA H 3.814 0.008 1 246 205 24 ASP HB2 H 1.715 0.016 2 247 205 24 ASP HB3 H 2.734 0.010 2 248 205 24 ASP C C 177.481 0.000 1 249 205 24 ASP CA C 52.837 0.048 1 250 205 24 ASP CB C 39.188 0.007 1 251 205 24 ASP N N 117.146 0.053 1 252 206 25 GLY H H 7.661 0.005 1 253 206 25 GLY HA2 H 3.816 0.016 2 254 206 25 GLY HA3 H 3.597 0.009 2 255 206 25 GLY C C 173.884 0.000 1 256 206 25 GLY CA C 46.165 0.091 1 257 206 25 GLY N N 106.010 0.070 1 258 207 26 ILE H H 6.897 0.009 1 259 207 26 ILE HA H 3.787 0.013 1 260 207 26 ILE HB H 1.619 0.008 1 261 207 26 ILE HG12 H 1.295 0.016 2 262 207 26 ILE HG13 H 1.029 0.002 2 263 207 26 ILE HG2 H 0.461 0.005 1 264 207 26 ILE HD1 H 0.887 0.011 1 265 207 26 ILE C C 177.957 0.000 1 266 207 26 ILE CA C 61.072 0.164 1 267 207 26 ILE CB C 37.063 0.040 1 268 207 26 ILE CG1 C 27.961 0.109 1 269 207 26 ILE CG2 C 17.167 0.038 1 270 207 26 ILE CD1 C 12.626 0.036 1 271 207 26 ILE N N 119.783 0.042 1 272 208 27 ARG H H 8.266 0.009 1 273 208 27 ARG HA H 3.881 0.002 1 274 208 27 ARG HB3 H 1.623 0.008 1 275 208 27 ARG HG2 H 0.748 0.005 1 276 208 27 ARG HG3 H 0.748 0.005 1 277 208 27 ARG HD2 H 3.081 0.007 2 278 208 27 ARG HD3 H 2.907 0.020 2 279 208 27 ARG C C 172.114 0.000 1 280 208 27 ARG CA C 57.217 0.000 1 281 208 27 ARG CB C 27.199 0.000 1 282 208 27 ARG CG C 26.665 0.004 1 283 208 27 ARG CD C 43.016 0.021 1 284 208 27 ARG N N 132.236 0.077 1 285 209 28 LEU H H 7.830 0.006 1 286 209 28 LEU HA H 4.377 0.004 1 287 209 28 LEU HG H 0.747 0.003 1 288 209 28 LEU HD1 H -0.904 0.006 2 289 209 28 LEU HD2 H 0.187 0.004 2 290 209 28 LEU CA C 50.865 0.181 1 291 209 28 LEU CB C 47.126 0.000 1 292 209 28 LEU CG C 26.599 0.086 1 293 209 28 LEU CD1 C 23.410 0.071 2 294 209 28 LEU CD2 C 22.720 0.061 2 295 209 28 LEU N N 118.440 0.047 1 296 210 29 PRO HA H 4.012 0.016 1 297 210 29 PRO HB2 H 1.612 0.000 2 298 210 29 PRO HB3 H 1.398 0.006 2 299 210 29 PRO HG2 H 1.703 0.007 2 300 210 29 PRO HG3 H 1.669 0.017 2 301 210 29 PRO HD2 H 3.327 0.005 2 302 210 29 PRO HD3 H 2.887 0.006 2 303 210 29 PRO C C 176.848 0.000 1 304 210 29 PRO CA C 62.055 0.004 1 305 210 29 PRO CB C 32.231 0.072 1 306 210 29 PRO CG C 26.680 0.028 1 307 210 29 PRO CD C 49.473 0.043 1 308 211 30 ALA H H 7.463 0.009 1 309 211 30 ALA HA H 3.827 0.010 1 310 211 30 ALA HB H 1.688 0.005 1 311 211 30 ALA C C 178.948 0.000 1 312 211 30 ALA CA C 56.710 0.020 1 313 211 30 ALA CB C 18.386 0.032 1 314 211 30 ALA N N 126.837 0.053 1 315 212 31 VAL H H 9.082 0.009 1 316 212 31 VAL HA H 3.232 0.010 1 317 212 31 VAL HB H 1.176 0.013 1 318 212 31 VAL HG1 H -0.343 0.007 2 319 212 31 VAL HG2 H -0.168 0.006 2 320 212 31 VAL CA C 64.022 0.122 1 321 212 31 VAL CB C 30.248 0.125 1 322 212 31 VAL CG1 C 17.584 0.056 2 323 212 31 VAL CG2 C 20.746 0.041 2 324 212 31 VAL N N 114.808 0.078 1 325 213 32 PHE H H 5.882 0.007 1 326 213 32 PHE HA H 3.585 0.010 1 327 213 32 PHE HB2 H 2.285 0.019 2 328 213 32 PHE HB3 H 2.731 0.009 2 329 213 32 PHE HD1 H 6.706 0.007 3 330 213 32 PHE HD2 H 6.706 0.007 3 331 213 32 PHE HE1 H 7.121 0.020 3 332 213 32 PHE HE2 H 7.121 0.020 3 333 213 32 PHE HZ H 6.316 0.000 1 334 213 32 PHE C C 175.171 0.000 1 335 213 32 PHE CA C 61.063 0.113 1 336 213 32 PHE CB C 40.632 0.052 1 337 213 32 PHE CD1 C 131.433 0.055 3 338 213 32 PHE CD2 C 131.433 0.055 3 339 213 32 PHE CE1 C 131.431 0.050 3 340 213 32 PHE CE2 C 131.431 0.050 3 341 213 32 PHE CZ C 128.609 0.000 1 342 213 32 PHE N N 119.315 0.075 1 343 214 33 ARG H H 7.186 0.010 1 344 214 33 ARG HA H 3.565 0.009 1 345 214 33 ARG HB2 H 2.013 0.000 2 346 214 33 ARG HB3 H 1.641 0.017 2 347 214 33 ARG HG3 H 1.616 0.000 1 348 214 33 ARG HD3 H 2.970 0.003 1 349 214 33 ARG C C 178.586 0.000 1 350 214 33 ARG CA C 58.413 0.078 1 351 214 33 ARG CB C 29.758 0.000 1 352 214 33 ARG CG C 27.905 0.000 1 353 214 33 ARG CD C 42.217 0.055 1 354 214 33 ARG N N 114.710 0.063 1 355 215 34 GLU H H 8.887 0.005 1 356 215 34 GLU HA H 3.916 0.001 1 357 215 34 GLU HB3 H 1.899 0.000 1 358 215 34 GLU HG3 H 2.632 0.000 1 359 215 34 GLU C C 180.253 0.000 1 360 215 34 GLU CA C 60.190 0.001 1 361 215 34 GLU CB C 29.203 0.000 1 362 215 34 GLU N N 116.219 0.068 1 363 216 35 CYS H H 7.639 0.010 1 364 216 35 CYS HA H 3.869 0.014 1 365 216 35 CYS HB2 H 2.760 0.021 2 366 216 35 CYS HB3 H 2.338 0.001 2 367 216 35 CYS C C 176.300 0.000 1 368 216 35 CYS CA C 64.833 0.063 1 369 216 35 CYS CB C 28.941 0.082 1 370 216 35 CYS N N 117.303 0.085 1 371 217 36 ILE H H 7.487 0.008 1 372 217 36 ILE HA H 2.987 0.010 1 373 217 36 ILE HB H 1.636 0.009 1 374 217 36 ILE HG12 H 0.507 0.021 2 375 217 36 ILE HG13 H 0.480 0.012 2 376 217 36 ILE HG2 H 0.466 0.011 1 377 217 36 ILE HD1 H -0.046 0.006 1 378 217 36 ILE C C 177.290 0.000 1 379 217 36 ILE CA C 63.561 0.076 1 380 217 36 ILE CB C 35.713 0.122 1 381 217 36 ILE CG1 C 27.781 0.036 1 382 217 36 ILE CG2 C 17.136 0.051 1 383 217 36 ILE CD1 C 10.681 0.041 1 384 217 36 ILE N N 119.175 0.089 1 385 218 37 ASP H H 7.971 0.008 1 386 218 37 ASP HA H 4.070 0.007 1 387 218 37 ASP HB2 H 2.727 0.007 2 388 218 37 ASP HB3 H 2.535 0.010 2 389 218 37 ASP C C 178.735 0.000 1 390 218 37 ASP CA C 57.378 0.071 1 391 218 37 ASP CB C 41.789 0.105 1 392 218 37 ASP N N 118.041 0.095 1 393 219 38 TYR H H 7.699 0.006 1 394 219 38 TYR HA H 4.125 0.013 1 395 219 38 TYR HB2 H 3.178 0.010 1 396 219 38 TYR HB3 H 3.178 0.010 1 397 219 38 TYR HD1 H 6.868 0.015 3 398 219 38 TYR HD2 H 6.868 0.015 3 399 219 38 TYR HE1 H 6.399 0.009 3 400 219 38 TYR HE2 H 6.399 0.009 3 401 219 38 TYR C C 177.808 0.000 1 402 219 38 TYR CA C 62.175 0.057 1 403 219 38 TYR CB C 38.871 0.200 1 404 219 38 TYR CD1 C 132.818 0.073 3 405 219 38 TYR CD2 C 132.818 0.073 3 406 219 38 TYR CE1 C 119.811 0.046 3 407 219 38 TYR CE2 C 119.811 0.046 3 408 219 38 TYR N N 117.416 0.064 1 409 220 39 VAL H H 8.678 0.018 1 410 220 39 VAL HA H 3.326 0.008 1 411 220 39 VAL HB H 2.232 0.005 1 412 220 39 VAL HG1 H 1.114 0.012 2 413 220 39 VAL HG2 H 1.113 0.012 2 414 220 39 VAL C C 179.302 0.000 1 415 220 39 VAL CA C 68.082 0.119 1 416 220 39 VAL CB C 31.343 0.075 1 417 220 39 VAL CG1 C 22.707 0.092 1 418 220 39 VAL CG2 C 22.707 0.092 1 419 220 39 VAL N N 120.860 0.039 1 420 221 40 GLU H H 8.739 0.013 1 421 221 40 GLU HA H 3.907 0.012 1 422 221 40 GLU HB2 H 2.088 0.000 2 423 221 40 GLU HB3 H 1.923 0.009 2 424 221 40 GLU HG2 H 2.345 0.003 2 425 221 40 GLU HG3 H 2.081 0.003 2 426 221 40 GLU C C 177.907 0.000 1 427 221 40 GLU CA C 60.272 0.023 1 428 221 40 GLU CB C 29.743 0.003 1 429 221 40 GLU CG C 35.888 0.054 1 430 221 40 GLU N N 118.755 0.076 1 431 222 41 LYS H H 7.247 0.008 1 432 222 41 LYS HA H 3.783 0.006 1 433 222 41 LYS HB2 H 1.218 0.015 2 434 222 41 LYS HB3 H 0.815 0.007 2 435 222 41 LYS HG2 H 0.388 0.008 2 436 222 41 LYS HG3 H 0.974 0.005 2 437 222 41 LYS HD2 H 1.274 0.017 2 438 222 41 LYS HD3 H 1.278 0.019 2 439 222 41 LYS HE2 H 2.683 0.001 1 440 222 41 LYS HE3 H 2.683 0.001 1 441 222 41 LYS C C 178.894 0.000 1 442 222 41 LYS CA C 59.180 0.130 1 443 222 41 LYS CB C 33.469 0.049 1 444 222 41 LYS CG C 25.256 0.043 1 445 222 41 LYS CD C 29.631 0.027 1 446 222 41 LYS CE C 42.007 0.020 1 447 222 41 LYS N N 116.627 0.089 1 448 223 42 TYR H H 8.421 0.010 1 449 223 42 TYR HA H 4.673 0.007 1 450 223 42 TYR HB2 H 1.784 0.015 2 451 223 42 TYR HB3 H 2.934 0.011 2 452 223 42 TYR HD1 H 6.428 0.012 3 453 223 42 TYR HD2 H 6.428 0.012 3 454 223 42 TYR HE1 H 6.646 0.007 3 455 223 42 TYR HE2 H 6.646 0.007 3 456 223 42 TYR C C 177.947 0.000 1 457 223 42 TYR CA C 58.360 0.000 1 458 223 42 TYR CB C 40.587 0.094 1 459 223 42 TYR CD1 C 133.880 0.106 3 460 223 42 TYR CD2 C 133.880 0.106 3 461 223 42 TYR CE1 C 117.721 0.079 3 462 223 42 TYR CE2 C 117.721 0.079 3 463 223 42 TYR N N 113.765 0.059 1 464 224 43 GLY H H 9.042 0.008 1 465 224 43 GLY HA2 H 4.547 0.023 2 466 224 43 GLY HA3 H 3.608 0.012 2 467 224 43 GLY C C 173.713 0.000 1 468 224 43 GLY CA C 46.629 0.111 1 469 224 43 GLY N N 108.448 0.097 1 470 225 44 MET H H 7.792 0.008 1 471 225 44 MET HA H 4.351 0.011 1 472 225 44 MET HG2 H 2.807 0.003 2 473 225 44 MET HG3 H 2.684 0.005 2 474 225 44 MET HE H 1.915 0.012 1 475 225 44 MET C C 175.433 0.000 1 476 225 44 MET CA C 55.439 0.053 1 477 225 44 MET CB C 30.494 0.000 1 478 225 44 MET CG C 33.441 0.056 1 479 225 44 MET CE C 19.282 0.037 1 480 225 44 MET N N 114.186 0.078 1 481 226 45 LYS H H 7.428 0.011 1 482 226 45 LYS HA H 4.383 0.005 1 483 226 45 LYS HB2 H 1.961 0.007 2 484 226 45 LYS HB3 H 1.511 0.010 2 485 226 45 LYS HG2 H 1.223 0.018 2 486 226 45 LYS HG3 H 1.280 0.003 2 487 226 45 LYS HD2 H 1.599 0.000 1 488 226 45 LYS HD3 H 1.599 0.000 1 489 226 45 LYS HE2 H 2.915 0.006 1 490 226 45 LYS HE3 H 2.915 0.006 1 491 226 45 LYS C C 176.010 0.000 1 492 226 45 LYS CA C 54.382 0.079 1 493 226 45 LYS CB C 32.393 0.033 1 494 226 45 LYS CG C 24.667 0.057 1 495 226 45 LYS CD C 29.224 0.055 1 496 226 45 LYS CE C 42.166 0.126 1 497 226 45 LYS N N 113.435 0.073 1 498 227 46 CYS H H 7.127 0.005 1 499 227 46 CYS HA H 4.217 0.007 1 500 227 46 CYS HB2 H 3.136 0.006 2 501 227 46 CYS HB3 H 2.823 0.014 2 502 227 46 CYS C C 173.626 0.000 1 503 227 46 CYS CA C 59.741 0.024 1 504 227 46 CYS CB C 27.748 0.047 1 505 227 46 CYS N N 120.249 0.056 1 506 228 47 GLU H H 8.440 0.008 1 507 228 47 GLU HA H 4.007 0.009 1 508 228 47 GLU HB2 H 1.801 0.005 1 509 228 47 GLU HB3 H 1.801 0.005 1 510 228 47 GLU HG2 H 2.050 0.033 2 511 228 47 GLU HG3 H 1.966 0.003 2 512 228 47 GLU C C 178.647 0.000 1 513 228 47 GLU CA C 57.624 0.176 1 514 228 47 GLU CB C 29.230 0.029 1 515 228 47 GLU CG C 36.317 0.108 1 516 228 47 GLU N N 126.613 0.068 1 517 229 48 GLY H H 9.615 0.008 1 518 229 48 GLY HA2 H 3.970 0.035 2 519 229 48 GLY HA3 H 3.799 0.020 2 520 229 48 GLY C C 174.462 0.000 1 521 229 48 GLY CA C 46.220 0.000 1 522 229 48 GLY N N 115.668 0.068 1 523 230 49 ILE H H 7.110 0.006 1 524 230 49 ILE HA H 3.903 0.013 1 525 230 49 ILE HB H 1.818 0.008 1 526 230 49 ILE HG12 H 0.953 0.003 2 527 230 49 ILE HG13 H 0.831 0.017 2 528 230 49 ILE HG2 H 0.950 0.004 1 529 230 49 ILE HD1 H 0.651 0.007 1 530 230 49 ILE C C 174.042 0.000 1 531 230 49 ILE CA C 60.246 0.040 1 532 230 49 ILE CB C 38.773 0.065 1 533 230 49 ILE CG1 C 28.465 0.015 1 534 230 49 ILE CG2 C 18.817 0.059 1 535 230 49 ILE CD1 C 14.720 0.088 1 536 230 49 ILE N N 123.332 0.081 1 537 231 50 TYR H H 8.441 0.012 1 538 231 50 TYR HA H 3.556 0.009 1 539 231 50 TYR HB2 H 2.814 0.007 1 540 231 50 TYR HB3 H 2.813 0.008 1 541 231 50 TYR HD1 H 6.780 0.007 3 542 231 50 TYR HD2 H 6.780 0.007 3 543 231 50 TYR C C 175.241 0.000 1 544 231 50 TYR CA C 66.035 0.024 1 545 231 50 TYR CB C 35.690 0.079 1 546 231 50 TYR N N 113.008 0.069 1 547 232 51 ARG H H 8.786 0.012 1 548 232 51 ARG HA H 4.444 0.010 1 549 232 51 ARG HB2 H 1.934 0.003 2 550 232 51 ARG HB3 H 1.501 0.008 2 551 232 51 ARG HG2 H 1.494 0.008 1 552 232 51 ARG HG3 H 1.495 0.007 1 553 232 51 ARG HD2 H 3.169 0.010 2 554 232 51 ARG HD3 H 2.988 0.010 2 555 232 51 ARG C C 177.189 0.000 1 556 232 51 ARG CA C 57.490 0.102 1 557 232 51 ARG CB C 31.614 0.109 1 558 232 51 ARG CG C 27.052 0.029 1 559 232 51 ARG CD C 43.409 0.000 1 560 232 51 ARG N N 121.530 0.043 1 561 233 52 VAL H H 7.997 0.010 1 562 233 52 VAL HA H 3.830 0.015 1 563 233 52 VAL HB H 1.773 0.004 1 564 233 52 VAL HG1 H 0.940 0.017 2 565 233 52 VAL HG2 H 0.881 0.023 2 566 233 52 VAL CA C 62.878 0.120 1 567 233 52 VAL CB C 32.765 0.017 1 568 233 52 VAL CG1 C 21.795 0.064 2 569 233 52 VAL CG2 C 21.587 0.026 2 570 233 52 VAL N N 120.932 0.045 1 571 234 53 SER H H 8.667 0.004 1 572 234 53 SER HA H 4.170 0.012 1 573 234 53 SER HB2 H 3.880 0.019 2 574 234 53 SER HB3 H 3.782 0.008 2 575 234 53 SER C C 175.210 0.000 1 576 234 53 SER CA C 59.638 0.008 1 577 234 53 SER CB C 63.768 0.094 1 578 234 53 SER N N 122.692 0.071 1 579 235 54 GLY H H 7.895 0.012 1 580 235 54 GLY HA2 H 3.624 0.000 2 581 235 54 GLY HA3 H 3.066 0.000 2 582 235 54 GLY C C 172.291 0.000 1 583 235 54 GLY CA C 44.020 0.000 1 584 235 54 GLY N N 109.234 0.042 1 585 236 55 ILE H H 7.801 0.012 1 586 236 55 ILE HA H 3.982 0.004 1 587 236 55 ILE HB H 1.752 0.008 1 588 236 55 ILE HG12 H 1.554 0.001 2 589 236 55 ILE HG13 H 1.096 0.013 2 590 236 55 ILE HG2 H 0.959 0.006 1 591 236 55 ILE HD1 H 0.831 0.002 1 592 236 55 ILE CA C 61.075 0.090 1 593 236 55 ILE CB C 37.574 0.059 1 594 236 55 ILE CG1 C 27.239 0.030 1 595 236 55 ILE CG2 C 18.098 0.071 1 596 236 55 ILE CD1 C 12.839 0.023 1 597 236 55 ILE N N 121.212 0.085 1 598 237 56 LYS HA H 3.987 0.000 1 599 237 56 LYS HB2 H 1.925 0.000 2 600 237 56 LYS HB3 H 1.801 0.000 2 601 237 56 LYS HG3 H 1.374 0.000 1 602 238 57 SER H H 8.664 0.006 1 603 238 57 SER HA H 4.137 0.001 1 604 238 57 SER HB2 H 3.844 0.003 1 605 238 57 SER HB3 H 3.844 0.003 1 606 238 57 SER C C 177.402 0.000 1 607 238 57 SER CA C 61.420 0.007 1 608 238 57 SER CB C 61.660 0.006 1 609 238 57 SER N N 111.343 0.037 1 610 239 58 LYS H H 7.097 0.004 1 611 239 58 LYS HA H 4.296 0.007 1 612 239 58 LYS HB2 H 1.761 0.007 2 613 239 58 LYS HB3 H 1.890 0.011 2 614 239 58 LYS HG2 H 1.595 0.000 2 615 239 58 LYS HG3 H 1.426 0.000 2 616 239 58 LYS HE2 H 2.938 0.010 1 617 239 58 LYS HE3 H 2.938 0.010 1 618 239 58 LYS C C 177.904 0.000 1 619 239 58 LYS CA C 57.659 0.002 1 620 239 58 LYS CB C 32.346 0.040 1 621 239 58 LYS N N 121.087 0.094 1 622 240 59 VAL H H 8.012 0.006 1 623 240 59 VAL HA H 3.237 0.006 1 624 240 59 VAL HB H 2.164 0.023 1 625 240 59 VAL HG1 H 0.772 0.005 2 626 240 59 VAL HG2 H 1.039 0.008 2 627 240 59 VAL C C 178.015 0.000 1 628 240 59 VAL CA C 67.417 0.059 1 629 240 59 VAL CB C 31.505 0.108 1 630 240 59 VAL CG1 C 21.403 0.036 2 631 240 59 VAL CG2 C 23.130 0.100 2 632 240 59 VAL N N 121.402 0.085 1 633 241 60 ASP H H 8.372 0.004 1 634 241 60 ASP HA H 4.131 0.010 1 635 241 60 ASP HB2 H 2.590 0.015 2 636 241 60 ASP HB3 H 2.461 0.010 2 637 241 60 ASP C C 179.411 0.000 1 638 241 60 ASP CA C 57.493 0.010 1 639 241 60 ASP CB C 39.786 0.021 1 640 241 60 ASP N N 117.430 0.080 1 641 242 61 GLU H H 7.546 0.007 1 642 242 61 GLU HA H 4.004 0.011 1 643 242 61 GLU HB2 H 2.224 0.008 2 644 242 61 GLU HB3 H 2.215 0.017 2 645 242 61 GLU HG2 H 2.326 0.003 2 646 242 61 GLU HG3 H 2.243 0.005 2 647 242 61 GLU C C 179.009 0.000 1 648 242 61 GLU CA C 59.130 0.108 1 649 242 61 GLU CB C 30.215 0.077 1 650 242 61 GLU CG C 36.456 0.044 1 651 242 61 GLU N N 121.405 0.129 1 652 243 62 LEU H H 7.860 0.007 1 653 243 62 LEU HA H 3.895 0.007 1 654 243 62 LEU HB2 H 1.209 0.007 2 655 243 62 LEU HB3 H 1.788 0.020 2 656 243 62 LEU HG H 1.130 0.014 1 657 243 62 LEU HD1 H 0.165 0.005 2 658 243 62 LEU HD2 H 0.015 0.004 2 659 243 62 LEU C C 178.224 0.000 1 660 243 62 LEU CA C 57.394 0.096 1 661 243 62 LEU CB C 43.884 0.137 1 662 243 62 LEU CG C 26.975 0.082 1 663 243 62 LEU CD1 C 23.447 0.046 2 664 243 62 LEU CD2 C 24.757 0.035 2 665 243 62 LEU N N 122.105 0.058 1 666 244 63 LYS H H 8.552 0.008 1 667 244 63 LYS HA H 3.270 0.025 1 668 244 63 LYS HB3 H 1.518 0.000 1 669 244 63 LYS HG2 H -0.538 0.007 2 670 244 63 LYS HG3 H 0.412 0.009 2 671 244 63 LYS HD2 H 1.222 0.002 2 672 244 63 LYS HD3 H 0.973 0.008 2 673 244 63 LYS HE2 H 2.559 0.002 2 674 244 63 LYS HE3 H 2.560 0.002 2 675 244 63 LYS C C 177.058 0.000 1 676 244 63 LYS CA C 60.133 0.027 1 677 244 63 LYS CB C 32.156 0.000 1 678 244 63 LYS CG C 23.047 0.003 1 679 244 63 LYS CD C 30.166 0.049 1 680 244 63 LYS CE C 41.777 0.017 1 681 244 63 LYS N N 120.865 0.053 1 682 245 64 ALA H H 7.529 0.009 1 683 245 64 ALA HA H 3.985 0.009 1 684 245 64 ALA HB H 1.333 0.011 1 685 245 64 ALA C C 179.647 0.000 1 686 245 64 ALA CA C 54.998 0.151 1 687 245 64 ALA CB C 17.839 0.115 1 688 245 64 ALA N N 117.444 0.085 1 689 246 65 ALA H H 7.452 0.016 1 690 246 65 ALA HA H 3.835 0.011 1 691 246 65 ALA HB H 1.178 0.004 1 692 246 65 ALA C C 178.581 0.000 1 693 246 65 ALA CA C 55.419 0.075 1 694 246 65 ALA CB C 17.975 0.040 1 695 246 65 ALA N N 120.002 0.067 1 696 247 66 TYR H H 8.431 0.007 1 697 247 66 TYR HA H 4.122 0.011 1 698 247 66 TYR HB2 H 3.033 0.014 1 699 247 66 TYR HB3 H 3.033 0.014 1 700 247 66 TYR HD1 H 7.323 0.008 3 701 247 66 TYR HD2 H 7.323 0.008 3 702 247 66 TYR HE1 H 6.475 0.005 3 703 247 66 TYR HE2 H 6.475 0.005 3 704 247 66 TYR C C 181.212 0.000 1 705 247 66 TYR CA C 64.070 0.133 1 706 247 66 TYR CB C 38.326 0.084 1 707 247 66 TYR CD1 C 133.400 0.066 3 708 247 66 TYR CD2 C 133.400 0.066 3 709 247 66 TYR CE1 C 117.647 0.056 3 710 247 66 TYR CE2 C 117.647 0.056 3 711 247 66 TYR N N 117.034 0.112 1 712 248 67 ASP H H 8.879 0.008 1 713 248 67 ASP HA H 4.868 0.002 1 714 248 67 ASP HB2 H 2.519 0.007 2 715 248 67 ASP HB3 H 2.926 0.017 2 716 248 67 ASP C C 177.219 0.000 1 717 248 67 ASP CA C 58.051 0.000 1 718 248 67 ASP CB C 41.094 0.125 1 719 248 67 ASP N N 121.741 0.049 1 720 249 68 ARG H H 7.300 0.005 1 721 249 68 ARG HA H 4.357 0.012 1 722 249 68 ARG HB3 H 1.912 0.006 1 723 249 68 ARG HD2 H 3.020 0.002 2 724 249 68 ARG HD3 H 3.151 0.002 2 725 249 68 ARG C C 175.015 0.000 1 726 249 68 ARG CA C 55.716 0.001 1 727 249 68 ARG CB C 31.104 0.000 1 728 249 68 ARG CD C 43.512 0.078 1 729 249 68 ARG N N 116.132 0.067 1 730 250 69 GLU H H 8.056 0.008 1 731 250 69 GLU HA H 3.861 0.000 1 732 250 69 GLU C C 175.682 0.000 1 733 250 69 GLU CA C 57.816 0.000 1 734 250 69 GLU CB C 27.408 0.000 1 735 250 69 GLU N N 115.245 0.118 1 736 251 70 GLU H H 7.885 0.009 1 737 251 70 GLU HA H 4.208 0.007 1 738 251 70 GLU HB2 H 1.753 0.006 2 739 251 70 GLU HB3 H 1.594 0.003 2 740 251 70 GLU HG3 H 2.133 0.027 1 741 251 70 GLU C C 176.763 0.000 1 742 251 70 GLU CA C 55.478 0.011 1 743 251 70 GLU CB C 31.034 0.088 1 744 251 70 GLU CG C 36.633 0.042 1 745 251 70 GLU N N 117.442 0.054 1 746 252 71 SER H H 8.417 0.015 1 747 252 71 SER HA H 4.343 0.019 1 748 252 71 SER HB2 H 3.695 0.031 2 749 252 71 SER HB3 H 3.735 0.010 2 750 252 71 SER C C 174.247 0.000 1 751 252 71 SER CA C 58.319 0.122 1 752 252 71 SER CB C 63.256 0.242 1 753 252 71 SER N N 117.594 0.099 1 754 253 72 THR H H 8.255 0.006 1 755 253 72 THR HA H 4.154 0.006 1 756 253 72 THR HB H 3.520 0.007 1 757 253 72 THR HG2 H 0.615 0.004 1 758 253 72 THR C C 173.307 0.000 1 759 253 72 THR CA C 61.058 0.101 1 760 253 72 THR CB C 71.082 0.106 1 761 253 72 THR CG2 C 21.516 0.043 1 762 253 72 THR N N 120.029 0.082 1 763 254 73 ASN H H 8.701 0.009 1 764 254 73 ASN HA H 4.867 0.009 1 765 254 73 ASN HB2 H 2.613 0.013 2 766 254 73 ASN HB3 H 2.948 0.006 2 767 254 73 ASN HD21 H 6.860 0.002 1 768 254 73 ASN HD22 H 7.495 0.001 1 769 254 73 ASN C C 175.734 0.000 1 770 254 73 ASN CA C 51.713 0.083 1 771 254 73 ASN CB C 37.841 0.066 1 772 254 73 ASN N N 121.669 0.079 1 773 254 73 ASN ND2 N 112.338 0.052 1 774 255 74 LEU H H 8.611 0.006 1 775 255 74 LEU HA H 3.970 0.007 1 776 255 74 LEU HB2 H 1.704 0.012 2 777 255 74 LEU HB3 H 1.070 0.022 2 778 255 74 LEU HG H 1.696 0.015 1 779 255 74 LEU HD1 H 0.787 0.014 2 780 255 74 LEU HD2 H 0.603 0.007 2 781 255 74 LEU C C 177.184 0.000 1 782 255 74 LEU CA C 57.677 0.035 1 783 255 74 LEU CB C 41.467 0.042 1 784 255 74 LEU CG C 26.652 0.007 1 785 255 74 LEU CD1 C 26.903 0.000 2 786 255 74 LEU CD2 C 23.394 0.019 2 787 255 74 LEU N N 124.511 0.068 1 788 256 75 GLU H H 8.253 0.011 1 789 256 75 GLU HA H 4.118 0.009 1 790 256 75 GLU HB2 H 2.028 0.000 2 791 256 75 GLU HB3 H 1.941 0.008 2 792 256 75 GLU HG2 H 2.385 0.006 2 793 256 75 GLU HG3 H 2.312 0.003 2 794 256 75 GLU C C 176.867 0.000 1 795 256 75 GLU CA C 58.920 0.089 1 796 256 75 GLU CB C 28.714 0.066 1 797 256 75 GLU CG C 37.268 0.068 1 798 256 75 GLU N N 113.299 0.070 1 799 257 76 ASP H H 7.441 0.011 1 800 257 76 ASP HA H 4.405 0.004 1 801 257 76 ASP HB2 H 2.428 0.019 2 802 257 76 ASP HB3 H 2.373 0.019 2 803 257 76 ASP C C 175.047 0.000 1 804 257 76 ASP CA C 55.157 0.109 1 805 257 76 ASP CB C 40.483 0.034 1 806 257 76 ASP N N 117.159 0.082 1 807 258 77 TYR H H 8.135 0.008 1 808 258 77 TYR HA H 4.406 0.007 1 809 258 77 TYR HB2 H 2.667 0.018 2 810 258 77 TYR HB3 H 2.673 0.022 2 811 258 77 TYR HD1 H 7.090 0.011 3 812 258 77 TYR HD2 H 7.090 0.011 3 813 258 77 TYR HE1 H 6.641 0.005 3 814 258 77 TYR HE2 H 6.641 0.005 3 815 258 77 TYR C C 174.055 0.000 1 816 258 77 TYR CA C 57.689 0.125 1 817 258 77 TYR CB C 39.623 0.098 1 818 258 77 TYR CD1 C 133.311 0.074 3 819 258 77 TYR CD2 C 133.311 0.074 3 820 258 77 TYR CE1 C 118.342 0.060 3 821 258 77 TYR CE2 C 118.342 0.060 3 822 258 77 TYR N N 120.364 0.030 1 823 259 78 GLU H H 8.462 0.007 1 824 259 78 GLU HA H 4.790 0.011 1 825 259 78 GLU HB2 H 2.035 0.001 2 826 259 78 GLU HB3 H 2.103 0.000 2 827 259 78 GLU HG2 H 2.388 0.013 2 828 259 78 GLU HG3 H 2.447 0.026 2 829 259 78 GLU CA C 54.580 0.000 1 830 259 78 GLU CB C 28.309 0.081 1 831 259 78 GLU CG C 35.236 0.047 1 832 259 78 GLU N N 120.047 0.059 1 833 260 79 PRO HA H 4.324 0.000 1 834 260 79 PRO HB2 H 2.081 0.000 1 835 260 79 PRO HB3 H 2.081 0.000 1 836 260 79 PRO C C 177.742 0.000 1 837 260 79 PRO CA C 67.111 0.000 1 838 260 79 PRO CB C 32.942 0.000 1 839 261 80 ASN H H 8.905 0.008 1 840 261 80 ASN HA H 4.504 0.019 1 841 261 80 ASN HB2 H 3.040 0.018 2 842 261 80 ASN HB3 H 3.046 0.007 2 843 261 80 ASN HD21 H 6.625 0.004 1 844 261 80 ASN HD22 H 7.524 0.007 1 845 261 80 ASN C C 178.483 0.000 1 846 261 80 ASN CA C 56.410 0.135 1 847 261 80 ASN CB C 36.754 0.083 1 848 261 80 ASN N N 112.961 0.084 1 849 261 80 ASN ND2 N 113.702 0.096 1 850 262 81 THR H H 7.885 0.006 1 851 262 81 THR HA H 3.625 0.011 1 852 262 81 THR HG2 H 1.082 0.006 1 853 262 81 THR C C 174.664 0.000 1 854 262 81 THR CA C 67.739 0.032 1 855 262 81 THR CB C 69.347 0.000 1 856 262 81 THR CG2 C 22.093 0.120 1 857 262 81 THR N N 120.299 0.116 1 858 263 82 VAL H H 7.117 0.008 1 859 263 82 VAL HA H 3.169 0.005 1 860 263 82 VAL HB H 1.535 0.025 1 861 263 82 VAL HG1 H 0.069 0.007 2 862 263 82 VAL HG2 H 0.806 0.008 2 863 263 82 VAL C C 177.201 0.000 1 864 263 82 VAL CA C 67.602 0.122 1 865 263 82 VAL CB C 31.523 0.133 1 866 263 82 VAL CG1 C 22.499 0.048 2 867 263 82 VAL CG2 C 22.162 0.102 2 868 263 82 VAL N N 122.445 0.063 1 869 264 83 ALA H H 8.506 0.009 1 870 264 83 ALA HA H 3.914 0.010 1 871 264 83 ALA HB H 0.957 0.006 1 872 264 83 ALA C C 180.393 0.000 1 873 264 83 ALA CA C 55.299 0.038 1 874 264 83 ALA CB C 18.105 0.068 1 875 264 83 ALA N N 121.421 0.083 1 876 265 84 SER H H 7.751 0.006 1 877 265 84 SER HA H 4.108 0.003 1 878 265 84 SER HB3 H 3.955 0.000 1 879 265 84 SER C C 176.346 0.000 1 880 265 84 SER CA C 63.348 0.000 1 881 265 84 SER CB C 65.048 0.000 1 882 265 84 SER N N 111.852 0.052 1 883 266 85 LEU H H 8.231 0.006 1 884 266 85 LEU HA H 4.000 0.006 1 885 266 85 LEU HB2 H 1.559 0.003 2 886 266 85 LEU HB3 H 1.562 0.006 2 887 266 85 LEU HG H 1.613 0.001 1 888 266 85 LEU HD1 H 0.880 0.013 2 889 266 85 LEU HD2 H 0.812 0.004 2 890 266 85 LEU C C 177.730 0.000 1 891 266 85 LEU CA C 58.091 0.001 1 892 266 85 LEU CB C 41.099 0.001 1 893 266 85 LEU CG C 26.960 0.000 1 894 266 85 LEU CD1 C 24.702 0.024 2 895 266 85 LEU CD2 C 23.960 0.000 2 896 266 85 LEU N N 126.988 0.111 1 897 267 86 LEU H H 8.062 0.007 1 898 267 86 LEU HA H 3.993 0.000 1 899 267 86 LEU HB2 H 2.210 0.000 2 900 267 86 LEU HB3 H 1.550 0.000 2 901 267 86 LEU HD1 H 0.915 0.005 2 902 267 86 LEU HD2 H 0.904 0.001 2 903 267 86 LEU C C 179.255 0.000 1 904 267 86 LEU CA C 58.694 0.000 1 905 267 86 LEU CB C 40.656 0.067 1 906 267 86 LEU CD1 C 24.346 0.036 2 907 267 86 LEU CD2 C 25.406 0.039 2 908 267 86 LEU N N 120.389 0.044 1 909 268 87 LYS H H 7.866 0.007 1 910 268 87 LYS HA H 3.703 0.002 1 911 268 87 LYS HB3 H 1.850 0.000 1 912 268 87 LYS HG2 H 1.254 0.001 1 913 268 87 LYS HG3 H 1.253 0.001 1 914 268 87 LYS HE3 H 3.229 0.001 1 915 268 87 LYS C C 177.461 0.000 1 916 268 87 LYS CA C 61.146 0.029 1 917 268 87 LYS CB C 31.744 0.000 1 918 268 87 LYS CG C 23.257 0.032 1 919 268 87 LYS CE C 43.810 0.053 1 920 268 87 LYS N N 114.661 0.078 1 921 269 88 GLN H H 8.200 0.006 1 922 269 88 GLN HA H 3.813 0.004 1 923 269 88 GLN HB2 H 2.203 0.019 2 924 269 88 GLN HB3 H 1.832 0.000 2 925 269 88 GLN HG2 H 2.505 0.000 2 926 269 88 GLN HG3 H 2.483 0.022 2 927 269 88 GLN HE21 H 8.092 0.002 1 928 269 88 GLN HE22 H 6.864 0.006 1 929 269 88 GLN C C 176.600 0.000 1 930 269 88 GLN CA C 58.594 0.000 1 931 269 88 GLN CB C 28.395 0.000 1 932 269 88 GLN N N 118.553 0.062 1 933 269 88 GLN NE2 N 116.991 0.074 1 934 270 89 TYR H H 8.537 0.007 1 935 270 89 TYR HA H 3.664 0.000 1 936 270 89 TYR HB2 H 2.879 0.000 2 937 270 89 TYR HB3 H 2.627 0.000 2 938 270 89 TYR HD1 H 7.158 0.000 3 939 270 89 TYR HD2 H 7.158 0.000 3 940 270 89 TYR HE1 H 6.054 0.007 3 941 270 89 TYR HE2 H 6.054 0.007 3 942 270 89 TYR C C 177.436 0.000 1 943 270 89 TYR CA C 62.901 0.000 1 944 270 89 TYR CB C 37.432 0.000 1 945 270 89 TYR CE1 C 117.941 0.113 3 946 270 89 TYR CE2 C 117.941 0.113 3 947 270 89 TYR N N 118.689 0.059 1 948 271 90 LEU H H 7.669 0.006 1 949 271 90 LEU HA H 3.663 0.013 1 950 271 90 LEU HB2 H 1.263 0.001 2 951 271 90 LEU HB3 H 1.124 0.000 2 952 271 90 LEU HG H 2.195 0.006 1 953 271 90 LEU HD1 H 0.834 0.018 2 954 271 90 LEU HD2 H 0.736 0.018 2 955 271 90 LEU C C 179.245 0.000 1 956 271 90 LEU CA C 56.843 0.040 1 957 271 90 LEU CB C 41.151 0.000 1 958 271 90 LEU CG C 66.141 0.000 1 959 271 90 LEU CD1 C 23.095 0.058 2 960 271 90 LEU CD2 C 26.411 0.070 2 961 271 90 LEU N N 114.704 0.056 1 962 272 91 ARG H H 8.501 0.006 1 963 272 91 ARG HA H 4.266 0.006 1 964 272 91 ARG HB3 H 1.913 0.044 1 965 272 91 ARG HD3 H 3.230 0.005 1 966 272 91 ARG C C 177.852 0.000 1 967 272 91 ARG CA C 58.078 0.038 1 968 272 91 ARG CB C 30.603 0.159 1 969 272 91 ARG CD C 43.855 0.005 1 970 272 91 ARG N N 119.979 0.063 1 971 273 92 ASP H H 7.703 0.004 1 972 273 92 ASP HA H 4.471 0.033 1 973 273 92 ASP HB2 H 2.603 0.010 2 974 273 92 ASP HB3 H 2.485 0.014 2 975 273 92 ASP C C 176.644 0.000 1 976 273 92 ASP CA C 54.669 0.129 1 977 273 92 ASP CB C 41.489 0.212 1 978 273 92 ASP N N 116.584 0.043 1 979 274 93 LEU H H 7.026 0.008 1 980 274 93 LEU HA H 4.003 0.009 1 981 274 93 LEU HB2 H 1.824 0.000 2 982 274 93 LEU HB3 H 1.510 0.000 2 983 274 93 LEU HD1 H 0.782 0.009 2 984 274 93 LEU HD2 H 0.666 0.005 2 985 274 93 LEU CA C 53.887 0.006 1 986 274 93 LEU CB C 41.146 0.000 1 987 274 93 LEU CD1 C 27.162 0.084 2 988 274 93 LEU CD2 C 23.745 0.049 2 989 274 93 LEU N N 123.727 0.047 1 990 275 94 PRO HB3 H 1.150 0.000 1 991 275 94 PRO HD2 H 3.662 0.000 2 992 275 94 PRO HD3 H 3.090 0.000 2 993 276 95 GLU H H 6.947 0.004 1 994 276 95 GLU HA H 4.430 0.004 1 995 276 95 GLU HB2 H 1.824 0.002 1 996 276 95 GLU HB3 H 1.824 0.002 1 997 276 95 GLU HG2 H 2.365 0.006 2 998 276 95 GLU HG3 H 2.212 0.003 2 999 276 95 GLU CA C 53.860 0.000 1 1000 276 95 GLU CB C 33.352 0.031 1 1001 276 95 GLU CG C 36.445 0.005 1 1002 276 95 GLU N N 117.877 0.024 1 1003 277 96 ASN H H 8.690 0.000 1 1004 277 96 ASN HA H 4.520 0.000 1 1005 277 96 ASN HB2 H 2.697 0.006 2 1006 277 96 ASN HB3 H 1.968 0.023 2 1007 277 96 ASN HD21 H 7.674 0.006 1 1008 277 96 ASN HD22 H 6.130 0.004 1 1009 277 96 ASN C C 178.580 0.000 1 1010 277 96 ASN ND2 N 112.684 0.073 1 1011 278 97 LEU H H 10.066 0.012 1 1012 278 97 LEU HA H 3.806 0.007 1 1013 278 97 LEU HB2 H 1.509 0.029 2 1014 278 97 LEU HB3 H 1.199 0.007 2 1015 278 97 LEU HG H 1.729 0.016 1 1016 278 97 LEU HD1 H 0.745 0.007 2 1017 278 97 LEU HD2 H 0.662 0.028 2 1018 278 97 LEU C C 177.962 0.000 1 1019 278 97 LEU CA C 57.986 0.055 1 1020 278 97 LEU CB C 43.486 0.110 1 1021 278 97 LEU CG C 27.460 0.112 1 1022 278 97 LEU CD1 C 25.074 0.054 2 1023 278 97 LEU CD2 C 25.755 0.062 2 1024 278 97 LEU N N 131.023 0.111 1 1025 279 98 LEU H H 9.031 0.010 1 1026 279 98 LEU HA H 4.307 0.010 1 1027 279 98 LEU HB2 H 1.575 0.017 2 1028 279 98 LEU HB3 H 1.411 0.010 2 1029 279 98 LEU HG H 1.423 0.010 1 1030 279 98 LEU HD1 H 0.169 0.006 2 1031 279 98 LEU HD2 H 0.372 0.008 2 1032 279 98 LEU C C 177.308 0.000 1 1033 279 98 LEU CA C 54.538 0.059 1 1034 279 98 LEU CB C 39.182 0.070 1 1035 279 98 LEU CG C 26.242 0.077 1 1036 279 98 LEU CD1 C 20.887 0.016 2 1037 279 98 LEU CD2 C 25.313 0.058 2 1038 279 98 LEU N N 115.083 0.082 1 1039 280 99 THR H H 7.652 0.014 1 1040 280 99 THR HA H 4.026 0.013 1 1041 280 99 THR HB H 4.551 0.006 1 1042 280 99 THR HG1 H 6.120 0.006 1 1043 280 99 THR HG2 H 1.134 0.005 1 1044 280 99 THR C C 173.970 0.000 1 1045 280 99 THR CA C 64.154 0.080 1 1046 280 99 THR CB C 72.307 0.085 1 1047 280 99 THR CG2 C 22.305 0.101 1 1048 280 99 THR N N 107.871 0.053 1 1049 281 100 LYS H H 9.170 0.008 1 1050 281 100 LYS HA H 3.983 0.014 1 1051 281 100 LYS HB2 H 1.901 0.010 2 1052 281 100 LYS HB3 H 1.755 0.003 2 1053 281 100 LYS HG2 H 1.404 0.007 1 1054 281 100 LYS HG3 H 1.404 0.006 1 1055 281 100 LYS HD3 H 1.660 0.002 1 1056 281 100 LYS HE2 H 2.964 0.010 2 1057 281 100 LYS HE3 H 2.960 0.010 2 1058 281 100 LYS C C 179.209 0.000 1 1059 281 100 LYS CA C 59.304 0.073 1 1060 281 100 LYS CB C 32.317 0.082 1 1061 281 100 LYS CG C 24.737 0.080 1 1062 281 100 LYS CD C 29.569 0.052 1 1063 281 100 LYS CE C 42.106 0.070 1 1064 281 100 LYS N N 122.170 0.083 1 1065 282 101 GLU H H 8.695 0.007 1 1066 282 101 GLU HA H 4.003 0.010 1 1067 282 101 GLU HB2 H 2.061 0.004 2 1068 282 101 GLU HB3 H 1.857 0.010 2 1069 282 101 GLU HG2 H 2.392 0.010 2 1070 282 101 GLU HG3 H 2.179 0.000 2 1071 282 101 GLU C C 178.436 0.000 1 1072 282 101 GLU CA C 59.617 0.000 1 1073 282 101 GLU CB C 29.581 0.127 1 1074 282 101 GLU CG C 36.949 0.020 1 1075 282 101 GLU N N 115.510 0.162 1 1076 283 102 LEU H H 7.320 0.004 1 1077 283 102 LEU HA H 4.483 0.015 1 1078 283 102 LEU HB2 H 2.270 0.000 2 1079 283 102 LEU HB3 H 1.932 0.031 2 1080 283 102 LEU HG H 1.576 0.002 1 1081 283 102 LEU HD1 H 0.903 0.009 2 1082 283 102 LEU HD2 H 0.719 0.008 2 1083 283 102 LEU C C 179.160 0.000 1 1084 283 102 LEU CA C 55.137 0.013 1 1085 283 102 LEU CB C 41.778 0.027 1 1086 283 102 LEU CG C 27.109 0.002 1 1087 283 102 LEU CD1 C 25.525 0.076 2 1088 283 102 LEU CD2 C 23.114 0.039 2 1089 283 102 LEU N N 112.891 0.063 1 1090 284 103 MET H H 8.111 0.007 1 1091 284 103 MET HA H 4.302 0.008 1 1092 284 103 MET HB2 H 2.232 0.015 2 1093 284 103 MET HB3 H 2.243 0.003 2 1094 284 103 MET HG2 H 2.587 0.003 1 1095 284 103 MET HG3 H 2.587 0.003 1 1096 284 103 MET HE H 2.154 0.017 1 1097 284 103 MET CA C 62.732 0.000 1 1098 284 103 MET CB C 30.202 0.000 1 1099 284 103 MET CG C 31.953 0.025 1 1100 284 103 MET CE C 17.966 0.024 1 1101 284 103 MET N N 121.830 0.064 1 1102 285 104 PRO HA H 4.515 0.000 1 1103 285 104 PRO HB2 H 1.762 0.002 2 1104 285 104 PRO HB3 H 2.304 0.003 2 1105 285 104 PRO HG2 H 1.967 0.000 1 1106 285 104 PRO HG3 H 1.967 0.000 1 1107 285 104 PRO HD2 H 3.561 0.011 2 1108 285 104 PRO HD3 H 3.689 0.005 2 1109 285 104 PRO C C 179.611 0.000 1 1110 285 104 PRO CA C 65.754 0.000 1 1111 285 104 PRO CB C 31.106 0.045 1 1112 285 104 PRO CG C 28.547 0.000 1 1113 285 104 PRO CD C 50.777 0.010 1 1114 286 105 ARG H H 7.452 0.013 1 1115 286 105 ARG HA H 4.113 0.005 1 1116 286 105 ARG HG2 H 1.704 0.000 1 1117 286 105 ARG HG3 H 1.704 0.000 1 1118 286 105 ARG HD2 H 3.029 0.000 2 1119 286 105 ARG HD3 H 3.145 0.000 2 1120 286 105 ARG C C 180.187 0.000 1 1121 286 105 ARG CA C 58.052 0.089 1 1122 286 105 ARG CB C 29.977 0.000 1 1123 286 105 ARG CG C 26.804 0.000 1 1124 286 105 ARG N N 116.262 0.049 1 1125 287 106 PHE H H 8.014 0.012 1 1126 287 106 PHE HA H 3.490 0.008 1 1127 287 106 PHE HB2 H 2.450 0.016 2 1128 287 106 PHE HB3 H 3.048 0.017 2 1129 287 106 PHE HD1 H 6.342 0.009 3 1130 287 106 PHE HD2 H 6.342 0.009 3 1131 287 106 PHE HE1 H 6.960 0.017 3 1132 287 106 PHE HE2 H 6.960 0.017 3 1133 287 106 PHE C C 177.618 0.000 1 1134 287 106 PHE CA C 62.795 0.045 1 1135 287 106 PHE CB C 38.719 0.091 1 1136 287 106 PHE CD1 C 132.496 0.116 3 1137 287 106 PHE CD2 C 132.496 0.116 3 1138 287 106 PHE CE1 C 130.865 0.177 3 1139 287 106 PHE CE2 C 130.865 0.177 3 1140 287 106 PHE N N 120.669 0.094 1 1141 288 107 GLU H H 7.472 0.011 1 1142 288 107 GLU HA H 3.884 0.019 1 1143 288 107 GLU HB2 H 1.998 0.012 2 1144 288 107 GLU HB3 H 2.011 0.000 2 1145 288 107 GLU HG2 H 2.159 0.000 2 1146 288 107 GLU HG3 H 2.298 0.000 2 1147 288 107 GLU C C 180.139 0.000 1 1148 288 107 GLU CA C 59.792 0.000 1 1149 288 107 GLU CB C 29.466 0.000 1 1150 288 107 GLU CG C 36.118 0.036 1 1151 288 107 GLU N N 116.308 0.064 1 1152 289 108 GLU H H 7.993 0.009 1 1153 289 108 GLU HA H 3.909 0.000 1 1154 289 108 GLU HB3 H 1.984 0.000 1 1155 289 108 GLU C C 179.910 0.000 1 1156 289 108 GLU CA C 59.397 0.000 1 1157 289 108 GLU CB C 29.484 0.000 1 1158 289 108 GLU N N 119.386 0.157 1 1159 290 109 ALA H H 7.817 0.005 1 1160 290 109 ALA HA H 4.052 0.011 1 1161 290 109 ALA HB H 1.532 0.005 1 1162 290 109 ALA C C 178.539 0.000 1 1163 290 109 ALA CA C 54.648 0.144 1 1164 290 109 ALA CB C 18.510 0.035 1 1165 290 109 ALA N N 121.765 0.063 1 1166 291 110 CYS H H 7.363 0.005 1 1167 291 110 CYS HA H 3.955 0.012 1 1168 291 110 CYS HB2 H 2.753 0.007 2 1169 291 110 CYS HB3 H 3.096 0.012 2 1170 291 110 CYS C C 174.906 0.000 1 1171 291 110 CYS CA C 62.760 0.080 1 1172 291 110 CYS CB C 27.025 0.052 1 1173 291 110 CYS N N 112.101 0.075 1 1174 292 111 GLY H H 7.807 0.005 1 1175 292 111 GLY HA2 H 3.714 0.006 2 1176 292 111 GLY HA3 H 4.190 0.010 2 1177 292 111 GLY C C 175.117 0.000 1 1178 292 111 GLY CA C 44.786 0.050 1 1179 292 111 GLY N N 104.632 0.041 1 1180 293 112 ARG H H 7.003 0.004 1 1181 293 112 ARG HA H 4.284 0.003 1 1182 293 112 ARG HB3 H 1.864 0.000 1 1183 293 112 ARG HG3 H 2.018 0.003 1 1184 293 112 ARG HD2 H 3.154 0.016 2 1185 293 112 ARG HD3 H 3.084 0.021 2 1186 293 112 ARG C C 176.960 0.000 1 1187 293 112 ARG CA C 55.452 0.006 1 1188 293 112 ARG CB C 29.824 0.000 1 1189 293 112 ARG CG C 27.357 0.049 1 1190 293 112 ARG CD C 41.934 0.045 1 1191 293 112 ARG N N 118.062 0.041 1 1192 294 113 THR H H 8.528 0.005 1 1193 294 113 THR HA H 3.903 0.017 1 1194 294 113 THR HB H 4.296 0.008 1 1195 294 113 THR HG2 H 1.219 0.006 1 1196 294 113 THR C C 175.365 0.000 1 1197 294 113 THR CA C 65.214 0.059 1 1198 294 113 THR CB C 69.403 0.041 1 1199 294 113 THR CG2 C 22.195 0.030 1 1200 294 113 THR N N 111.762 0.047 1 1201 295 114 THR H H 7.394 0.014 1 1202 295 114 THR HA H 4.737 0.004 1 1203 295 114 THR HB H 4.372 0.021 1 1204 295 114 THR HG2 H 1.180 0.012 1 1205 295 114 THR CA C 59.566 0.115 1 1206 295 114 THR CB C 71.951 0.078 1 1207 295 114 THR CG2 C 21.874 0.031 1 1208 295 114 THR N N 109.043 0.039 1 1209 296 115 GLU H H 8.928 0.007 1 1210 296 115 GLU HA H 3.762 0.011 1 1211 296 115 GLU HB2 H 1.976 0.007 2 1212 296 115 GLU HB3 H 2.087 0.000 2 1213 296 115 GLU HG2 H 2.419 0.011 1 1214 296 115 GLU HG3 H 2.419 0.011 1 1215 296 115 GLU C C 178.642 0.000 1 1216 296 115 GLU CA C 59.456 0.000 1 1217 296 115 GLU CB C 29.304 0.059 1 1218 296 115 GLU CG C 35.709 0.005 1 1219 296 115 GLU N N 123.210 0.117 1 1220 297 116 THR H H 8.063 0.012 1 1221 297 116 THR HA H 3.732 0.007 1 1222 297 116 THR HB H 3.941 0.005 1 1223 297 116 THR HG2 H 1.117 0.008 1 1224 297 116 THR C C 176.469 0.000 1 1225 297 116 THR CA C 65.966 0.032 1 1226 297 116 THR CB C 68.638 0.098 1 1227 297 116 THR CG2 C 21.797 0.063 1 1228 297 116 THR N N 111.538 0.057 1 1229 298 117 GLU H H 7.336 0.006 1 1230 298 117 GLU HA H 3.951 0.005 1 1231 298 117 GLU HB2 H 1.939 0.029 2 1232 298 117 GLU HB3 H 1.978 0.003 2 1233 298 117 GLU HG2 H 2.177 0.001 1 1234 298 117 GLU HG3 H 2.178 0.000 1 1235 298 117 GLU C C 179.032 0.000 1 1236 298 117 GLU CA C 59.460 0.000 1 1237 298 117 GLU CB C 31.020 0.000 1 1238 298 117 GLU CG C 37.430 0.000 1 1239 298 117 GLU N N 119.632 0.060 1 1240 299 118 LYS H H 7.495 0.007 1 1241 299 118 LYS HA H 3.775 0.005 1 1242 299 118 LYS HB2 H 1.699 0.000 2 1243 299 118 LYS HB3 H 1.465 0.000 2 1244 299 118 LYS HG2 H 1.353 0.000 1 1245 299 118 LYS HG3 H 1.353 0.000 1 1246 299 118 LYS HD2 H 1.602 0.000 1 1247 299 118 LYS HD3 H 1.602 0.000 1 1248 299 118 LYS HE2 H 2.565 0.005 2 1249 299 118 LYS HE3 H 2.867 0.015 2 1250 299 118 LYS C C 177.945 0.000 1 1251 299 118 LYS CA C 60.403 0.183 1 1252 299 118 LYS CB C 33.402 0.037 1 1253 299 118 LYS CG C 24.376 0.000 1 1254 299 118 LYS CD C 29.480 0.000 1 1255 299 118 LYS CE C 42.108 0.000 1 1256 299 118 LYS N N 118.967 0.062 1 1257 300 119 VAL H H 7.923 0.010 1 1258 300 119 VAL HA H 2.903 0.010 1 1259 300 119 VAL HB H 1.735 0.011 1 1260 300 119 VAL HG1 H 0.539 0.005 2 1261 300 119 VAL HG2 H 0.076 0.006 2 1262 300 119 VAL C C 177.614 0.000 1 1263 300 119 VAL CA C 67.379 0.058 1 1264 300 119 VAL CB C 31.175 0.145 1 1265 300 119 VAL CG1 C 20.880 0.075 2 1266 300 119 VAL CG2 C 22.028 0.096 2 1267 300 119 VAL N N 116.941 0.056 1 1268 301 120 GLN H H 8.067 0.013 1 1269 301 120 GLN HA H 3.986 0.037 1 1270 301 120 GLN HB2 H 1.887 0.009 2 1271 301 120 GLN HB3 H 1.984 0.000 2 1272 301 120 GLN HG2 H 2.296 0.004 2 1273 301 120 GLN HG3 H 2.475 0.017 2 1274 301 120 GLN HE21 H 6.693 0.010 1 1275 301 120 GLN HE22 H 7.360 0.004 1 1276 301 120 GLN C C 179.338 0.000 1 1277 301 120 GLN CA C 59.337 0.000 1 1278 301 120 GLN CB C 28.546 0.149 1 1279 301 120 GLN CG C 34.514 0.097 1 1280 301 120 GLN N N 117.566 0.092 1 1281 301 120 GLN NE2 N 110.993 0.148 1 1282 302 121 GLU H H 8.001 0.022 1 1283 302 121 GLU HA H 4.335 0.025 1 1284 302 121 GLU HB2 H 1.922 0.000 2 1285 302 121 GLU HB3 H 2.100 0.009 2 1286 302 121 GLU HG2 H 2.082 0.007 2 1287 302 121 GLU HG3 H 2.258 0.010 2 1288 302 121 GLU CA C 58.608 0.053 1 1289 302 121 GLU CB C 29.352 0.048 1 1290 302 121 GLU CG C 35.699 0.031 1 1291 302 121 GLU N N 119.584 0.104 1 1292 303 122 PHE H H 8.737 0.010 1 1293 303 122 PHE HA H 3.822 0.009 1 1294 303 122 PHE HB2 H 2.594 0.025 2 1295 303 122 PHE HB3 H 3.451 0.006 2 1296 303 122 PHE HD1 H 7.085 0.005 3 1297 303 122 PHE HD2 H 7.085 0.005 3 1298 303 122 PHE HE1 H 6.806 0.007 3 1299 303 122 PHE HE2 H 6.806 0.007 3 1300 303 122 PHE C C 178.247 0.000 1 1301 303 122 PHE CA C 62.708 0.036 1 1302 303 122 PHE CB C 39.460 0.086 1 1303 303 122 PHE CD1 C 130.308 0.119 3 1304 303 122 PHE CD2 C 130.308 0.119 3 1305 303 122 PHE CE1 C 132.001 0.088 3 1306 303 122 PHE CE2 C 132.001 0.088 3 1307 303 122 PHE N N 120.453 0.064 1 1308 304 123 GLN H H 8.674 0.008 1 1309 304 123 GLN HA H 3.969 0.018 1 1310 304 123 GLN HB2 H 2.250 0.022 2 1311 304 123 GLN HB3 H 1.883 0.007 2 1312 304 123 GLN HG2 H 2.454 0.008 2 1313 304 123 GLN HG3 H 2.293 0.003 2 1314 304 123 GLN HE21 H 6.658 0.008 1 1315 304 123 GLN HE22 H 7.015 0.015 1 1316 304 123 GLN C C 178.693 0.000 1 1317 304 123 GLN CA C 59.865 0.000 1 1318 304 123 GLN CB C 28.633 0.048 1 1319 304 123 GLN CG C 34.527 0.163 1 1320 304 123 GLN N N 116.156 0.039 1 1321 304 123 GLN NE2 N 109.943 0.136 1 1322 305 124 ARG H H 7.495 0.005 1 1323 305 124 ARG HA H 3.828 0.004 1 1324 305 124 ARG HB2 H 1.839 0.012 2 1325 305 124 ARG HB3 H 1.842 0.009 2 1326 305 124 ARG HG2 H 1.656 0.007 2 1327 305 124 ARG HG3 H 1.708 0.000 2 1328 305 124 ARG HD2 H 3.140 0.007 2 1329 305 124 ARG HD3 H 3.036 0.010 2 1330 305 124 ARG HE H 7.578 0.000 1 1331 305 124 ARG C C 179.264 0.000 1 1332 305 124 ARG CA C 59.671 0.013 1 1333 305 124 ARG CB C 30.447 0.027 1 1334 305 124 ARG CG C 26.668 0.036 1 1335 305 124 ARG CD C 43.316 0.046 1 1336 305 124 ARG N N 118.804 0.098 1 1337 306 125 LEU H H 8.013 0.008 1 1338 306 125 LEU HA H 3.647 0.006 1 1339 306 125 LEU HB2 H 0.961 0.005 2 1340 306 125 LEU HB3 H 0.253 0.007 2 1341 306 125 LEU HG H 1.351 0.010 1 1342 306 125 LEU HD1 H 0.380 0.007 2 1343 306 125 LEU HD2 H -0.356 0.005 2 1344 306 125 LEU C C 179.901 0.000 1 1345 306 125 LEU CA C 57.485 0.066 1 1346 306 125 LEU CB C 43.058 0.105 1 1347 306 125 LEU CG C 25.985 0.077 1 1348 306 125 LEU CD1 C 22.951 0.050 2 1349 306 125 LEU CD2 C 24.669 0.020 2 1350 306 125 LEU N N 119.707 0.063 1 1351 307 126 LEU H H 8.729 0.008 1 1352 307 126 LEU HA H 4.158 0.021 1 1353 307 126 LEU HB2 H 1.589 0.000 2 1354 307 126 LEU HB3 H 1.609 0.028 2 1355 307 126 LEU HG H 2.301 0.012 1 1356 307 126 LEU HD1 H 1.207 0.006 2 1357 307 126 LEU HD2 H 1.027 0.003 2 1358 307 126 LEU C C 179.595 0.000 1 1359 307 126 LEU CA C 58.330 0.000 1 1360 307 126 LEU CB C 41.982 0.103 1 1361 307 126 LEU CG C 28.177 0.111 1 1362 307 126 LEU CD1 C 23.152 0.033 2 1363 307 126 LEU CD2 C 28.017 0.044 2 1364 307 126 LEU N N 117.769 0.079 1 1365 308 127 LYS H H 7.090 0.012 1 1366 308 127 LYS HA H 3.971 0.003 1 1367 308 127 LYS HB2 H 1.825 0.014 2 1368 308 127 LYS HB3 H 1.839 0.014 2 1369 308 127 LYS HG2 H 1.371 0.008 1 1370 308 127 LYS HG3 H 1.371 0.008 1 1371 308 127 LYS HD2 H 1.533 0.007 1 1372 308 127 LYS HD3 H 1.533 0.007 1 1373 308 127 LYS HE2 H 2.855 0.011 2 1374 308 127 LYS HE3 H 2.853 0.009 2 1375 308 127 LYS C C 177.121 0.000 1 1376 308 127 LYS CA C 57.708 0.137 1 1377 308 127 LYS CB C 32.443 0.010 1 1378 308 127 LYS CG C 25.261 0.047 1 1379 308 127 LYS CD C 28.983 0.019 1 1380 308 127 LYS CE C 42.188 0.064 1 1381 308 127 LYS N N 115.078 0.041 1 1382 309 128 GLU H H 7.490 0.004 1 1383 309 128 GLU HA H 4.191 0.000 1 1384 309 128 GLU HB2 H 1.838 0.001 1 1385 309 128 GLU HB3 H 1.838 0.001 1 1386 309 128 GLU HG2 H 2.164 0.003 2 1387 309 128 GLU HG3 H 2.297 0.002 2 1388 309 128 GLU C C 177.282 0.000 1 1389 309 128 GLU CA C 56.466 0.000 1 1390 309 128 GLU CB C 30.445 0.000 1 1391 309 128 GLU CG C 36.167 0.048 1 1392 309 128 GLU N N 116.525 0.022 1 1393 310 129 LEU H H 7.063 0.009 1 1394 310 129 LEU HA H 4.335 0.009 1 1395 310 129 LEU HB2 H 2.028 0.014 2 1396 310 129 LEU HB3 H 1.387 0.016 2 1397 310 129 LEU HG H 2.149 0.006 1 1398 310 129 LEU HD1 H 1.080 0.013 2 1399 310 129 LEU HD2 H 1.086 0.015 2 1400 310 129 LEU CA C 53.499 0.101 1 1401 310 129 LEU CB C 42.475 0.129 1 1402 310 129 LEU CG C 26.650 0.058 1 1403 310 129 LEU CD1 C 27.546 0.095 2 1404 310 129 LEU CD2 C 25.200 0.043 2 1405 310 129 LEU N N 118.928 0.060 1 1406 311 130 PRO HA H 4.464 0.009 1 1407 311 130 PRO HB2 H 2.070 0.000 2 1408 311 130 PRO HB3 H 2.498 0.000 2 1409 311 130 PRO HD2 H 2.919 0.000 2 1410 311 130 PRO HD3 H 3.116 0.000 2 1411 311 130 PRO C C 177.239 0.000 1 1412 311 130 PRO CA C 63.035 0.000 1 1413 311 130 PRO CB C 32.051 0.000 1 1414 312 131 GLU H H 8.784 0.010 1 1415 312 131 GLU HA H 4.050 0.000 1 1416 312 131 GLU HB2 H 2.110 0.000 2 1417 312 131 GLU HB3 H 1.939 0.000 2 1418 312 131 GLU HG2 H 2.350 0.010 2 1419 312 131 GLU HG3 H 2.094 0.016 2 1420 312 131 GLU C C 178.395 0.000 1 1421 312 131 GLU CA C 60.586 0.000 1 1422 312 131 GLU CB C 30.054 0.000 1 1423 312 131 GLU CG C 35.817 0.000 1 1424 312 131 GLU N N 124.497 0.095 1 1425 313 132 CYS H H 8.623 0.005 1 1426 313 132 CYS HA H 4.397 0.010 1 1427 313 132 CYS HB2 H 2.847 0.017 2 1428 313 132 CYS HB3 H 2.869 0.020 2 1429 313 132 CYS C C 175.526 0.000 1 1430 313 132 CYS CA C 60.583 0.008 1 1431 313 132 CYS CB C 27.488 0.007 1 1432 313 132 CYS N N 113.152 0.044 1 1433 314 133 ASN H H 7.342 0.003 1 1434 314 133 ASN HA H 3.851 0.015 1 1435 314 133 ASN HB2 H 2.769 0.024 2 1436 314 133 ASN HB3 H 2.829 0.009 2 1437 314 133 ASN C C 175.754 0.000 1 1438 314 133 ASN CA C 57.929 0.102 1 1439 314 133 ASN CB C 38.022 0.013 1 1440 314 133 ASN N N 120.632 0.063 1 1441 315 134 TYR H H 8.318 0.008 1 1442 315 134 TYR HA H 3.789 0.016 1 1443 315 134 TYR HB2 H 3.157 0.012 2 1444 315 134 TYR HB3 H 3.157 0.013 2 1445 315 134 TYR HD1 H 7.036 0.015 3 1446 315 134 TYR HD2 H 7.036 0.015 3 1447 315 134 TYR HE1 H 6.876 0.010 3 1448 315 134 TYR HE2 H 6.876 0.010 3 1449 315 134 TYR C C 178.292 0.000 1 1450 315 134 TYR CA C 61.935 0.163 1 1451 315 134 TYR CB C 38.593 0.075 1 1452 315 134 TYR CD1 C 132.974 0.048 3 1453 315 134 TYR CD2 C 132.974 0.048 3 1454 315 134 TYR CE1 C 117.827 0.030 3 1455 315 134 TYR CE2 C 117.827 0.030 3 1456 315 134 TYR N N 118.140 0.076 1 1457 316 135 LEU H H 8.709 0.008 1 1458 316 135 LEU HA H 3.577 0.014 1 1459 316 135 LEU HB2 H 1.601 0.000 2 1460 316 135 LEU HB3 H 1.604 0.004 2 1461 316 135 LEU HG H 1.606 0.004 1 1462 316 135 LEU HD1 H 0.745 0.004 2 1463 316 135 LEU HD2 H 0.822 0.007 2 1464 316 135 LEU C C 176.975 0.000 1 1465 316 135 LEU CA C 57.602 0.046 1 1466 316 135 LEU CB C 41.553 0.001 1 1467 316 135 LEU CG C 27.440 0.000 1 1468 316 135 LEU CD1 C 26.631 0.050 2 1469 316 135 LEU CD2 C 23.705 0.035 2 1470 316 135 LEU N N 120.825 0.119 1 1471 317 136 LEU H H 7.523 0.010 1 1472 317 136 LEU HA H 3.134 0.007 1 1473 317 136 LEU HB2 H 1.340 0.008 2 1474 317 136 LEU HB3 H 1.139 0.010 2 1475 317 136 LEU HG H 0.418 0.014 1 1476 317 136 LEU HD1 H 0.173 0.008 2 1477 317 136 LEU HD2 H 0.347 0.010 2 1478 317 136 LEU C C 178.908 0.000 1 1479 317 136 LEU CA C 59.976 0.029 1 1480 317 136 LEU CB C 41.293 0.101 1 1481 317 136 LEU CG C 28.151 0.098 1 1482 317 136 LEU CD1 C 26.310 0.038 2 1483 317 136 LEU CD2 C 24.845 0.040 2 1484 317 136 LEU N N 119.241 0.091 1 1485 318 137 ILE H H 8.042 0.008 1 1486 318 137 ILE HA H 3.364 0.009 1 1487 318 137 ILE HB H 1.356 0.007 1 1488 318 137 ILE HG12 H 0.993 0.013 2 1489 318 137 ILE HG13 H 0.613 0.011 2 1490 318 137 ILE HG2 H 0.352 0.011 1 1491 318 137 ILE HD1 H 0.377 0.005 1 1492 318 137 ILE C C 175.702 0.000 1 1493 318 137 ILE CA C 63.112 0.112 1 1494 318 137 ILE CB C 37.692 0.029 1 1495 318 137 ILE CG1 C 29.317 0.041 1 1496 318 137 ILE CG2 C 17.800 0.049 1 1497 318 137 ILE CD1 C 13.282 0.029 1 1498 318 137 ILE N N 116.226 0.074 1 1499 319 138 SER H H 7.854 0.006 1 1500 319 138 SER HA H 4.084 0.012 1 1501 319 138 SER HB2 H 3.106 0.011 2 1502 319 138 SER HB3 H 3.314 0.008 2 1503 319 138 SER HG H 4.091 0.007 1 1504 319 138 SER C C 175.336 0.000 1 1505 319 138 SER CA C 61.320 0.037 1 1506 319 138 SER CB C 63.980 0.000 1 1507 319 138 SER N N 115.874 0.072 1 1508 320 139 TRP H H 8.415 0.005 1 1509 320 139 TRP HA H 3.828 0.009 1 1510 320 139 TRP HB2 H 3.278 0.000 2 1511 320 139 TRP HB3 H 2.913 0.022 2 1512 320 139 TRP HD1 H 7.252 0.007 1 1513 320 139 TRP HE1 H 10.120 0.007 1 1514 320 139 TRP HE3 H 6.056 0.002 1 1515 320 139 TRP HZ2 H 7.380 0.007 1 1516 320 139 TRP HZ3 H 7.038 0.012 1 1517 320 139 TRP HH2 H 7.126 0.000 1 1518 320 139 TRP C C 178.210 0.000 1 1519 320 139 TRP CA C 61.732 0.088 1 1520 320 139 TRP CB C 29.574 0.000 1 1521 320 139 TRP CD1 C 126.195 0.032 1 1522 320 139 TRP CE3 C 120.884 0.018 1 1523 320 139 TRP CZ2 C 114.230 0.158 1 1524 320 139 TRP CZ3 C 121.639 0.086 1 1525 320 139 TRP CH2 C 124.621 0.010 1 1526 320 139 TRP N N 122.125 0.072 1 1527 320 139 TRP NE1 N 128.916 0.050 1 1528 321 140 LEU H H 8.576 0.011 1 1529 321 140 LEU HA H 3.980 0.008 1 1530 321 140 LEU HB3 H 1.937 0.045 1 1531 321 140 LEU HG H 1.723 0.003 1 1532 321 140 LEU HD1 H 0.672 0.013 2 1533 321 140 LEU HD2 H 0.887 0.012 2 1534 321 140 LEU C C 178.058 0.000 1 1535 321 140 LEU CA C 58.685 0.020 1 1536 321 140 LEU CB C 43.094 0.021 1 1537 321 140 LEU CG C 27.115 0.007 1 1538 321 140 LEU CD1 C 25.945 0.083 2 1539 321 140 LEU CD2 C 23.952 0.006 2 1540 321 140 LEU N N 117.817 0.095 1 1541 322 141 ILE H H 8.215 0.008 1 1542 322 141 ILE HA H 3.377 0.010 1 1543 322 141 ILE HB H 1.340 0.016 1 1544 322 141 ILE HG12 H 1.401 0.019 2 1545 322 141 ILE HG13 H 0.204 0.017 2 1546 322 141 ILE HG2 H 0.394 0.004 1 1547 322 141 ILE HD1 H -0.167 0.006 1 1548 322 141 ILE C C 177.900 0.000 1 1549 322 141 ILE CA C 61.584 0.064 1 1550 322 141 ILE CB C 33.819 0.065 1 1551 322 141 ILE CG1 C 25.996 0.058 1 1552 322 141 ILE CG2 C 18.005 0.069 1 1553 322 141 ILE CD1 C 7.254 0.024 1 1554 322 141 ILE N N 116.239 0.092 1 1555 323 142 VAL H H 7.773 0.015 1 1556 323 142 VAL HA H 3.283 0.010 1 1557 323 142 VAL HB H 1.749 0.010 1 1558 323 142 VAL HG1 H 0.775 0.004 2 1559 323 142 VAL HG2 H 0.435 0.008 2 1560 323 142 VAL C C 178.122 0.000 1 1561 323 142 VAL CA C 67.217 0.069 1 1562 323 142 VAL CB C 31.372 0.156 1 1563 323 142 VAL CG1 C 24.354 0.109 2 1564 323 142 VAL CG2 C 20.626 0.026 2 1565 323 142 VAL N N 120.198 0.104 1 1566 324 143 HIS H H 8.495 0.007 1 1567 324 143 HIS HA H 3.978 0.025 1 1568 324 143 HIS HB2 H 3.279 0.008 2 1569 324 143 HIS HB3 H 2.897 0.009 2 1570 324 143 HIS HD2 H 7.140 0.018 1 1571 324 143 HIS C C 177.239 0.000 1 1572 324 143 HIS CA C 59.311 0.000 1 1573 324 143 HIS CB C 29.079 0.091 1 1574 324 143 HIS CD2 C 122.908 0.061 1 1575 324 143 HIS N N 117.301 0.060 1 1576 325 144 MET H H 8.504 0.008 1 1577 325 144 MET HA H 3.856 0.010 1 1578 325 144 MET HG2 H 2.409 0.011 2 1579 325 144 MET HG3 H 2.701 0.005 2 1580 325 144 MET HE H 0.925 0.011 1 1581 325 144 MET C C 178.486 0.000 1 1582 325 144 MET CA C 57.805 0.065 1 1583 325 144 MET CB C 32.273 0.000 1 1584 325 144 MET CG C 34.804 0.038 1 1585 325 144 MET CE C 16.751 0.044 1 1586 325 144 MET N N 115.972 0.085 1 1587 326 145 ASP H H 8.921 0.009 1 1588 326 145 ASP HA H 4.414 0.010 1 1589 326 145 ASP HB2 H 2.864 0.003 2 1590 326 145 ASP HB3 H 2.677 0.001 2 1591 326 145 ASP C C 178.187 0.000 1 1592 326 145 ASP CA C 57.851 0.185 1 1593 326 145 ASP CB C 43.169 0.149 1 1594 326 145 ASP N N 120.453 0.065 1 1595 327 146 HIS H H 7.613 0.006 1 1596 327 146 HIS HA H 4.448 0.022 1 1597 327 146 HIS HB3 H 3.153 0.011 1 1598 327 146 HIS HD2 H 7.209 0.014 1 1599 327 146 HIS HE1 H 8.093 0.000 1 1600 327 146 HIS C C 177.019 0.000 1 1601 327 146 HIS CA C 57.216 0.017 1 1602 327 146 HIS CB C 28.226 0.000 1 1603 327 146 HIS CD2 C 118.714 0.086 1 1604 327 146 HIS N N 117.617 0.056 1 1605 328 147 VAL H H 7.190 0.007 1 1606 328 147 VAL HA H 3.449 0.009 1 1607 328 147 VAL HB H 2.388 0.011 1 1608 328 147 VAL HG1 H 0.758 0.008 1 1609 328 147 VAL HG2 H 0.759 0.008 1 1610 328 147 VAL C C 176.014 0.000 1 1611 328 147 VAL CA C 66.795 0.106 1 1612 328 147 VAL CB C 31.328 0.049 1 1613 328 147 VAL CG1 C 21.946 0.077 2 1614 328 147 VAL CG2 C 21.972 0.073 2 1615 328 147 VAL N N 119.489 0.050 1 1616 329 148 ILE H H 7.950 0.006 1 1617 329 148 ILE HA H 3.863 0.016 1 1618 329 148 ILE HB H 1.735 0.020 1 1619 329 148 ILE HG12 H 1.363 0.009 2 1620 329 148 ILE HG13 H 0.296 0.022 2 1621 329 148 ILE HG2 H 0.747 0.004 1 1622 329 148 ILE HD1 H 0.118 0.005 1 1623 329 148 ILE C C 180.168 0.000 1 1624 329 148 ILE CA C 63.631 0.058 1 1625 329 148 ILE CB C 38.613 0.092 1 1626 329 148 ILE CG1 C 29.230 0.094 1 1627 329 148 ILE CG2 C 17.852 0.034 1 1628 329 148 ILE CD1 C 13.945 0.032 1 1629 329 148 ILE N N 121.151 0.089 1 1630 330 149 ALA H H 8.624 0.009 1 1631 330 149 ALA HA H 4.117 0.009 1 1632 330 149 ALA HB H 1.553 0.004 1 1633 330 149 ALA C C 180.255 0.000 1 1634 330 149 ALA CA C 54.564 0.057 1 1635 330 149 ALA CB C 18.162 0.043 1 1636 330 149 ALA N N 124.622 0.079 1 1637 331 150 LYS H H 7.178 0.003 1 1638 331 150 LYS HA H 4.543 0.011 1 1639 331 150 LYS HB2 H 2.542 0.003 2 1640 331 150 LYS HB3 H 2.574 0.007 2 1641 331 150 LYS HG2 H 1.529 0.000 1 1642 331 150 LYS HG3 H 1.529 0.000 1 1643 331 150 LYS HD2 H 1.638 0.004 1 1644 331 150 LYS HD3 H 1.638 0.004 1 1645 331 150 LYS HE2 H 2.892 0.017 2 1646 331 150 LYS HE3 H 2.864 0.012 2 1647 331 150 LYS C C 176.262 0.000 1 1648 331 150 LYS CA C 54.339 0.000 1 1649 331 150 LYS CB C 30.727 0.109 1 1650 331 150 LYS CG C 24.775 0.052 1 1651 331 150 LYS CD C 28.120 0.022 1 1652 331 150 LYS CE C 42.515 0.003 1 1653 331 150 LYS N N 117.060 0.047 1 1654 332 151 GLU H H 7.437 0.007 1 1655 332 151 GLU HA H 4.172 0.011 1 1656 332 151 GLU HB2 H 1.812 0.006 2 1657 332 151 GLU HB3 H 2.621 0.009 2 1658 332 151 GLU HG2 H 1.976 0.003 2 1659 332 151 GLU HG3 H 2.059 0.007 2 1660 332 151 GLU C C 177.541 0.000 1 1661 332 151 GLU CA C 60.016 0.064 1 1662 332 151 GLU CB C 29.331 0.103 1 1663 332 151 GLU CG C 35.705 0.082 1 1664 332 151 GLU N N 122.692 0.055 1 1665 333 152 LEU H H 8.637 0.008 1 1666 333 152 LEU HA H 4.002 0.003 1 1667 333 152 LEU HB2 H 1.616 0.007 2 1668 333 152 LEU HB3 H 1.515 0.030 2 1669 333 152 LEU HG H 1.588 0.013 1 1670 333 152 LEU HD1 H 0.846 0.004 2 1671 333 152 LEU HD2 H 0.881 0.004 2 1672 333 152 LEU C C 178.212 0.000 1 1673 333 152 LEU CA C 59.026 0.128 1 1674 333 152 LEU CB C 41.822 0.022 1 1675 333 152 LEU CG C 27.163 0.060 1 1676 333 152 LEU CD1 C 24.222 0.026 2 1677 333 152 LEU CD2 C 24.526 0.071 2 1678 333 152 LEU N N 120.004 0.051 1 1679 334 153 GLU H H 8.125 0.008 1 1680 334 153 GLU HA H 4.425 0.003 1 1681 334 153 GLU HB2 H 1.979 0.000 1 1682 334 153 GLU HB3 H 1.979 0.000 1 1683 334 153 GLU HG2 H 2.147 0.001 2 1684 334 153 GLU HG3 H 2.196 0.001 2 1685 334 153 GLU C C 177.709 0.000 1 1686 334 153 GLU CA C 58.162 0.000 1 1687 334 153 GLU CB C 31.950 0.000 1 1688 334 153 GLU CG C 37.522 0.042 1 1689 334 153 GLU N N 113.448 0.043 1 1690 335 154 THR H H 8.873 0.006 1 1691 335 154 THR HA H 4.199 0.009 1 1692 335 154 THR HB H 4.167 0.014 1 1693 335 154 THR HG1 H 3.567 0.005 1 1694 335 154 THR HG2 H 1.244 0.007 1 1695 335 154 THR C C 176.949 0.000 1 1696 335 154 THR CA C 62.853 0.011 1 1697 335 154 THR CB C 71.141 0.030 1 1698 335 154 THR CG2 C 22.435 0.046 1 1699 335 154 THR N N 108.955 0.057 1 1700 336 155 LYS H H 9.123 0.007 1 1701 336 155 LYS HA H 3.965 0.011 1 1702 336 155 LYS HB2 H 1.992 0.019 2 1703 336 155 LYS HB3 H 2.013 0.028 2 1704 336 155 LYS HG2 H 1.328 0.009 2 1705 336 155 LYS HG3 H 1.166 0.004 2 1706 336 155 LYS HD2 H 1.574 0.001 2 1707 336 155 LYS HD3 H 1.467 0.006 2 1708 336 155 LYS HE3 H 2.864 0.001 1 1709 336 155 LYS C C 175.681 0.000 1 1710 336 155 LYS CA C 56.465 0.100 1 1711 336 155 LYS CB C 29.002 0.129 1 1712 336 155 LYS CG C 25.465 0.039 1 1713 336 155 LYS CD C 28.370 0.071 1 1714 336 155 LYS CE C 42.797 0.119 1 1715 336 155 LYS N N 116.511 0.073 1 1716 337 156 MET H H 7.317 0.007 1 1717 337 156 MET HA H 4.995 0.010 1 1718 337 156 MET HB2 H 1.529 0.000 2 1719 337 156 MET HB3 H 1.678 0.000 2 1720 337 156 MET HG2 H 1.811 0.000 2 1721 337 156 MET HG3 H 1.992 0.000 2 1722 337 156 MET HE H 1.804 0.003 1 1723 337 156 MET C C 172.364 0.000 1 1724 337 156 MET CA C 53.501 0.000 1 1725 337 156 MET CB C 32.809 0.000 1 1726 337 156 MET CE C 16.748 0.024 1 1727 337 156 MET N N 117.959 0.083 1 1728 338 157 ASN H H 7.718 0.024 1 1729 338 157 ASN HA H 4.644 0.016 1 1730 338 157 ASN HB2 H 2.808 0.009 2 1731 338 157 ASN HB3 H 3.074 0.007 2 1732 338 157 ASN HD21 H 7.446 0.004 1 1733 338 157 ASN HD22 H 6.624 0.000 1 1734 338 157 ASN C C 174.911 0.000 1 1735 338 157 ASN CA C 50.600 0.000 1 1736 338 157 ASN CB C 40.232 0.123 1 1737 338 157 ASN N N 114.499 0.099 1 1738 338 157 ASN ND2 N 112.704 0.086 1 1739 339 158 ILE H H 8.366 0.006 1 1740 339 158 ILE HA H 2.995 0.014 1 1741 339 158 ILE HB H 1.543 0.007 1 1742 339 158 ILE HG12 H 1.531 0.004 2 1743 339 158 ILE HG13 H 0.561 0.013 2 1744 339 158 ILE HG2 H 0.706 0.013 1 1745 339 158 ILE HD1 H 0.635 0.032 1 1746 339 158 ILE C C 178.025 0.000 1 1747 339 158 ILE CA C 66.306 0.041 1 1748 339 158 ILE CB C 38.151 0.055 1 1749 339 158 ILE CG1 C 29.638 0.064 1 1750 339 158 ILE CG2 C 16.652 0.063 1 1751 339 158 ILE CD1 C 14.103 0.125 1 1752 339 158 ILE N N 117.312 0.107 1 1753 340 159 GLN H H 8.157 0.014 1 1754 340 159 GLN HA H 4.013 0.006 1 1755 340 159 GLN HB2 H 2.048 0.006 2 1756 340 159 GLN HB3 H 1.958 0.012 2 1757 340 159 GLN HG2 H 2.318 0.006 2 1758 340 159 GLN HG3 H 2.315 0.002 2 1759 340 159 GLN HE21 H 7.416 0.004 1 1760 340 159 GLN HE22 H 6.784 0.004 1 1761 340 159 GLN C C 178.309 0.000 1 1762 340 159 GLN CA C 59.700 0.054 1 1763 340 159 GLN CB C 28.058 0.069 1 1764 340 159 GLN CG C 34.042 0.069 1 1765 340 159 GLN N N 120.078 0.091 1 1766 340 159 GLN NE2 N 111.171 0.081 1 1767 341 160 ASN H H 8.532 0.012 1 1768 341 160 ASN HA H 4.404 0.021 1 1769 341 160 ASN HB3 H 2.813 0.005 1 1770 341 160 ASN HD21 H 7.336 0.005 1 1771 341 160 ASN HD22 H 6.991 0.005 1 1772 341 160 ASN C C 179.239 0.000 1 1773 341 160 ASN CA C 55.861 0.070 1 1774 341 160 ASN CB C 38.319 0.057 1 1775 341 160 ASN N N 117.180 0.081 1 1776 341 160 ASN ND2 N 108.267 0.124 1 1777 342 161 ILE H H 8.647 0.009 1 1778 342 161 ILE HA H 3.917 0.006 1 1779 342 161 ILE HB H 1.707 0.010 1 1780 342 161 ILE HG12 H 1.296 0.013 2 1781 342 161 ILE HG13 H 1.061 0.005 2 1782 342 161 ILE HG2 H 0.513 0.005 1 1783 342 161 ILE HD1 H 0.655 0.006 1 1784 342 161 ILE C C 178.144 0.000 1 1785 342 161 ILE CA C 61.128 0.053 1 1786 342 161 ILE CB C 36.183 0.040 1 1787 342 161 ILE CG1 C 28.667 0.048 1 1788 342 161 ILE CG2 C 19.214 0.029 1 1789 342 161 ILE CD1 C 11.463 0.026 1 1790 342 161 ILE N N 121.227 0.124 1 1791 343 162 SER H H 8.188 0.014 1 1792 343 162 SER HA H 4.044 0.000 1 1793 343 162 SER HB2 H 3.874 0.010 2 1794 343 162 SER HB3 H 3.875 0.011 2 1795 343 162 SER HG H 4.811 0.004 1 1796 343 162 SER C C 175.573 0.000 1 1797 343 162 SER CA C 64.174 0.004 1 1798 343 162 SER CB C 63.122 0.043 1 1799 343 162 SER N N 119.020 0.059 1 1800 344 163 ILE H H 7.691 0.011 1 1801 344 163 ILE HA H 3.884 0.007 1 1802 344 163 ILE HB H 1.890 0.011 1 1803 344 163 ILE HG12 H 1.662 0.008 2 1804 344 163 ILE HG13 H 1.220 0.005 2 1805 344 163 ILE HG2 H 0.888 0.019 1 1806 344 163 ILE HD1 H 0.823 0.015 1 1807 344 163 ILE C C 178.405 0.000 1 1808 344 163 ILE CA C 64.421 0.031 1 1809 344 163 ILE CB C 38.274 0.071 1 1810 344 163 ILE CG1 C 29.347 0.038 1 1811 344 163 ILE CG2 C 17.452 0.092 1 1812 344 163 ILE CD1 C 13.423 0.036 1 1813 344 163 ILE N N 119.291 0.061 1 1814 345 164 VAL H H 6.995 0.004 1 1815 345 164 VAL HA H 4.006 0.015 1 1816 345 164 VAL HB H 2.136 0.005 1 1817 345 164 VAL HG1 H 1.008 0.002 2 1818 345 164 VAL HG2 H 0.914 0.008 2 1819 345 164 VAL C C 178.637 0.000 1 1820 345 164 VAL CA C 64.343 0.055 1 1821 345 164 VAL CB C 32.666 0.038 1 1822 345 164 VAL CG1 C 21.514 0.055 2 1823 345 164 VAL CG2 C 21.276 0.053 2 1824 345 164 VAL N N 115.358 0.045 1 1825 346 165 LEU H H 8.988 0.009 1 1826 346 165 LEU HA H 4.059 0.012 1 1827 346 165 LEU HB2 H 1.709 0.009 2 1828 346 165 LEU HB3 H 1.478 0.009 2 1829 346 165 LEU HG H 1.746 0.011 1 1830 346 165 LEU HD1 H 0.839 0.006 2 1831 346 165 LEU HD2 H 0.748 0.004 2 1832 346 165 LEU C C 178.360 0.000 1 1833 346 165 LEU CA C 57.278 0.153 1 1834 346 165 LEU CB C 43.584 0.152 1 1835 346 165 LEU CG C 26.713 0.053 1 1836 346 165 LEU CD1 C 24.510 0.114 2 1837 346 165 LEU CD2 C 23.120 0.040 2 1838 346 165 LEU N N 120.225 0.060 1 1839 347 166 SER H H 9.025 0.014 1 1840 347 166 SER HA H 4.639 0.000 1 1841 347 166 SER HB2 H 3.892 0.000 1 1842 347 166 SER HB3 H 3.892 0.000 1 1843 347 166 SER CA C 64.183 0.000 1 1844 347 166 SER CB C 62.455 0.000 1 1845 347 166 SER N N 115.435 0.058 1 1846 348 167 PRO HA H 4.550 0.004 1 1847 348 167 PRO HG2 H 1.952 0.008 2 1848 348 167 PRO HG3 H 2.049 0.001 2 1849 348 167 PRO HD2 H 3.745 0.006 2 1850 348 167 PRO HD3 H 3.563 0.005 2 1851 348 167 PRO C C 177.787 0.000 1 1852 348 167 PRO CA C 64.859 0.000 1 1853 348 167 PRO CB C 30.837 0.000 1 1854 348 167 PRO CG C 28.068 0.098 1 1855 348 167 PRO CD C 50.509 0.008 1 1856 349 168 THR H H 7.108 0.005 1 1857 349 168 THR HA H 3.950 0.015 1 1858 349 168 THR HB H 4.421 0.010 1 1859 349 168 THR HG2 H 1.249 0.011 1 1860 349 168 THR C C 174.105 0.000 1 1861 349 168 THR CA C 66.730 0.068 1 1862 349 168 THR CB C 68.965 0.172 1 1863 349 168 THR CG2 C 23.239 0.058 1 1864 349 168 THR N N 115.283 0.057 1 1865 350 169 VAL H H 7.624 0.006 1 1866 350 169 VAL HA H 4.551 0.011 1 1867 350 169 VAL HB H 2.490 0.012 1 1868 350 169 VAL HG1 H 0.724 0.011 2 1869 350 169 VAL HG2 H 0.722 0.012 2 1870 350 169 VAL C C 174.880 0.000 1 1871 350 169 VAL CA C 59.587 0.074 1 1872 350 169 VAL CB C 32.147 0.088 1 1873 350 169 VAL CG1 C 23.807 0.058 2 1874 350 169 VAL CG2 C 18.998 0.029 2 1875 350 169 VAL N N 105.652 0.035 1 1876 351 170 GLN H H 7.882 0.005 1 1877 351 170 GLN HA H 3.834 0.008 1 1878 351 170 GLN HB2 H 2.050 0.029 2 1879 351 170 GLN HB3 H 2.126 0.028 2 1880 351 170 GLN HG2 H 2.163 0.016 2 1881 351 170 GLN HG3 H 2.063 0.007 2 1882 351 170 GLN HE21 H 7.568 0.020 1 1883 351 170 GLN HE22 H 6.758 0.004 1 1884 351 170 GLN C C 175.163 0.000 1 1885 351 170 GLN CA C 56.827 0.056 1 1886 351 170 GLN CB C 25.422 0.081 1 1887 351 170 GLN CG C 34.193 0.074 1 1888 351 170 GLN N N 117.862 0.092 1 1889 351 170 GLN NE2 N 113.160 0.059 1 1890 352 171 ILE H H 7.057 0.010 1 1891 352 171 ILE HA H 4.158 0.005 1 1892 352 171 ILE HB H 1.142 0.008 1 1893 352 171 ILE HG12 H 1.729 0.004 2 1894 352 171 ILE HG13 H 1.619 0.000 2 1895 352 171 ILE HG2 H 0.911 0.008 1 1896 352 171 ILE HD1 H 0.603 0.010 1 1897 352 171 ILE C C 175.530 0.000 1 1898 352 171 ILE CA C 60.147 0.111 1 1899 352 171 ILE CB C 41.482 0.037 1 1900 352 171 ILE CG1 C 27.039 0.034 1 1901 352 171 ILE CG2 C 18.011 0.028 1 1902 352 171 ILE CD1 C 12.998 0.046 1 1903 352 171 ILE N N 116.300 0.036 1 1904 353 172 SER H H 8.949 0.005 1 1905 353 172 SER HA H 4.169 0.000 1 1906 353 172 SER HB2 H 3.988 0.000 1 1907 353 172 SER HB3 H 3.988 0.000 1 1908 353 172 SER CA C 58.997 0.000 1 1909 353 172 SER CB C 64.513 0.000 1 1910 353 172 SER N N 123.575 0.061 1 1911 354 173 ASN H H 8.914 0.004 1 1912 354 173 ASN HA H 4.186 0.000 1 1913 354 173 ASN HB3 H 2.719 0.000 1 1914 354 173 ASN HD21 H 7.471 0.005 1 1915 354 173 ASN HD22 H 6.453 0.004 1 1916 354 173 ASN N N 118.958 0.022 1 1917 354 173 ASN ND2 N 109.683 0.154 1 1918 355 174 ARG H H 8.077 0.003 1 1919 355 174 ARG HA H 4.019 0.000 1 1920 355 174 ARG HB2 H 1.827 0.012 1 1921 355 174 ARG HB3 H 1.827 0.012 1 1922 355 174 ARG HD2 H 3.092 0.000 1 1923 355 174 ARG HD3 H 3.092 0.000 1 1924 355 174 ARG C C 178.268 0.000 1 1925 355 174 ARG CB C 30.230 0.000 1 1926 355 174 ARG N N 117.621 0.060 1 1927 356 175 VAL H H 7.362 0.007 1 1928 356 175 VAL HA H 3.623 0.008 1 1929 356 175 VAL HB H 1.939 0.006 1 1930 356 175 VAL HG1 H 0.790 0.004 2 1931 356 175 VAL HG2 H 0.382 0.006 2 1932 356 175 VAL C C 178.139 0.000 1 1933 356 175 VAL CA C 66.471 0.106 1 1934 356 175 VAL CB C 31.459 0.113 1 1935 356 175 VAL CG1 C 23.928 0.075 2 1936 356 175 VAL CG2 C 22.378 0.108 2 1937 356 175 VAL N N 121.844 0.051 1 1938 357 176 LEU H H 8.137 0.008 1 1939 357 176 LEU HA H 3.859 0.020 1 1940 357 176 LEU HB2 H 2.007 0.015 2 1941 357 176 LEU HB3 H 1.789 0.007 2 1942 357 176 LEU HG H 1.781 0.013 1 1943 357 176 LEU HD1 H 0.678 0.007 2 1944 357 176 LEU HD2 H 0.873 0.008 2 1945 357 176 LEU C C 177.934 0.000 1 1946 357 176 LEU CA C 58.359 0.001 1 1947 357 176 LEU CB C 41.136 0.049 1 1948 357 176 LEU CG C 26.519 0.071 1 1949 357 176 LEU CD1 C 21.898 0.081 2 1950 357 176 LEU CD2 C 27.088 0.056 2 1951 357 176 LEU N N 116.527 0.071 1 1952 358 177 TYR H H 8.557 0.006 1 1953 358 177 TYR HA H 4.007 0.007 1 1954 358 177 TYR HB2 H 2.948 0.006 2 1955 358 177 TYR HB3 H 3.275 0.008 2 1956 358 177 TYR HD1 H 7.015 0.005 3 1957 358 177 TYR HD2 H 7.015 0.005 3 1958 358 177 TYR HE1 H 6.701 0.004 3 1959 358 177 TYR HE2 H 6.701 0.004 3 1960 358 177 TYR C C 179.250 0.000 1 1961 358 177 TYR CA C 62.819 0.037 1 1962 358 177 TYR CB C 38.053 0.072 1 1963 358 177 TYR CD1 C 132.668 0.041 3 1964 358 177 TYR CD2 C 132.668 0.041 3 1965 358 177 TYR CE1 C 118.328 0.046 3 1966 358 177 TYR CE2 C 118.328 0.046 3 1967 358 177 TYR N N 117.603 0.087 1 1968 359 178 VAL H H 7.196 0.005 1 1969 359 178 VAL HA H 3.326 0.010 1 1970 359 178 VAL HB H 1.602 0.006 1 1971 359 178 VAL HG1 H -0.458 0.004 2 1972 359 178 VAL HG2 H 0.893 0.003 2 1973 359 178 VAL C C 178.025 0.000 1 1974 359 178 VAL CA C 66.886 0.042 1 1975 359 178 VAL CB C 31.042 0.100 1 1976 359 178 VAL CG1 C 19.656 0.043 2 1977 359 178 VAL CG2 C 22.671 0.039 2 1978 359 178 VAL N N 119.547 0.056 1 1979 360 179 PHE H H 7.277 0.005 1 1980 360 179 PHE HA H 4.250 0.008 1 1981 360 179 PHE HB2 H 3.062 0.019 2 1982 360 179 PHE HB3 H 2.756 0.000 2 1983 360 179 PHE HD1 H 7.080 0.006 3 1984 360 179 PHE HD2 H 7.080 0.006 3 1985 360 179 PHE HE1 H 7.079 0.000 3 1986 360 179 PHE HE2 H 7.079 0.000 3 1987 360 179 PHE HZ H 6.604 0.008 1 1988 360 179 PHE C C 177.241 0.000 1 1989 360 179 PHE CA C 59.616 0.083 1 1990 360 179 PHE CB C 37.988 0.155 1 1991 360 179 PHE CD1 C 130.325 0.033 3 1992 360 179 PHE CD2 C 130.325 0.033 3 1993 360 179 PHE CZ C 128.679 0.043 1 1994 360 179 PHE N N 115.096 0.087 1 1995 361 180 PHE H H 8.393 0.017 1 1996 361 180 PHE HA H 4.216 0.012 1 1997 361 180 PHE HB2 H 3.082 0.008 2 1998 361 180 PHE HB3 H 2.545 0.000 2 1999 361 180 PHE HD1 H 7.143 0.005 3 2000 361 180 PHE HD2 H 7.143 0.005 3 2001 361 180 PHE HE1 H 7.073 0.003 3 2002 361 180 PHE HE2 H 7.073 0.003 3 2003 361 180 PHE HZ H 6.626 0.007 1 2004 361 180 PHE C C 178.781 0.000 1 2005 361 180 PHE CA C 61.929 0.042 1 2006 361 180 PHE CB C 39.960 0.095 1 2007 361 180 PHE CD1 C 131.784 0.100 3 2008 361 180 PHE CD2 C 131.784 0.100 3 2009 361 180 PHE CE1 C 130.362 0.036 3 2010 361 180 PHE CE2 C 130.362 0.036 3 2011 361 180 PHE CZ C 128.083 0.008 1 2012 361 180 PHE N N 110.043 0.076 1 2013 362 181 THR H H 7.806 0.029 1 2014 362 181 THR HA H 4.067 0.020 1 2015 362 181 THR HB H 3.767 0.017 1 2016 362 181 THR HG2 H 0.560 0.009 1 2017 362 181 THR C C 174.925 0.000 1 2018 362 181 THR CA C 63.442 0.126 1 2019 362 181 THR CB C 69.650 0.062 1 2020 362 181 THR CG2 C 21.382 0.097 1 2021 362 181 THR N N 109.591 0.326 1 2022 363 182 HIS H H 7.269 0.008 1 2023 363 182 HIS HA H 5.112 0.020 1 2024 363 182 HIS HB2 H 3.155 0.009 2 2025 363 182 HIS HB3 H 2.639 0.011 2 2026 363 182 HIS HD2 H 7.057 0.009 1 2027 363 182 HIS C C 174.461 0.000 1 2028 363 182 HIS CA C 55.159 0.145 1 2029 363 182 HIS CB C 28.212 0.107 1 2030 363 182 HIS CD2 C 121.706 0.038 1 2031 363 182 HIS N N 117.796 0.064 1 2032 364 183 VAL H H 7.541 0.035 1 2033 364 183 VAL HA H 3.658 0.006 1 2034 364 183 VAL HB H 2.125 0.008 1 2035 364 183 VAL HG1 H 1.058 0.008 2 2036 364 183 VAL HG2 H 0.910 0.005 2 2037 364 183 VAL C C 177.673 0.000 1 2038 364 183 VAL CA C 67.410 0.116 1 2039 364 183 VAL CB C 31.748 0.055 1 2040 364 183 VAL CG1 C 22.930 0.066 2 2041 364 183 VAL CG2 C 21.238 0.096 2 2042 364 183 VAL N N 120.999 0.104 1 2043 365 184 GLN H H 8.361 0.013 1 2044 365 184 GLN HA H 3.874 0.005 1 2045 365 184 GLN HB2 H 1.991 0.010 2 2046 365 184 GLN HB3 H 1.995 0.010 2 2047 365 184 GLN HG2 H 2.344 0.008 2 2048 365 184 GLN HG3 H 2.346 0.004 2 2049 365 184 GLN HE21 H 6.880 0.005 1 2050 365 184 GLN HE22 H 7.586 0.003 1 2051 365 184 GLN C C 178.710 0.000 1 2052 365 184 GLN CA C 58.944 0.004 1 2053 365 184 GLN CB C 27.969 0.097 1 2054 365 184 GLN CG C 34.163 0.018 1 2055 365 184 GLN N N 117.411 0.090 1 2056 365 184 GLN NE2 N 112.658 0.108 1 2057 366 185 GLU H H 8.328 0.009 1 2058 366 185 GLU HA H 3.927 0.006 1 2059 366 185 GLU HB2 H 1.861 0.006 1 2060 366 185 GLU HB3 H 1.861 0.006 1 2061 366 185 GLU HG2 H 2.221 0.023 2 2062 366 185 GLU HG3 H 2.265 0.024 2 2063 366 185 GLU C C 178.280 0.000 1 2064 366 185 GLU CA C 59.287 0.081 1 2065 366 185 GLU CB C 30.840 0.042 1 2066 366 185 GLU CG C 37.236 0.029 1 2067 366 185 GLU N N 117.927 0.093 1 2068 367 186 LEU H H 7.869 0.013 1 2069 367 186 LEU HA H 4.020 0.007 1 2070 367 186 LEU HB2 H 1.035 0.017 2 2071 367 186 LEU HB3 H 0.020 0.010 2 2072 367 186 LEU HD1 H 0.781 0.002 2 2073 367 186 LEU HD2 H 0.665 0.005 2 2074 367 186 LEU C C 177.696 0.000 1 2075 367 186 LEU CA C 56.183 0.083 1 2076 367 186 LEU CB C 41.772 0.095 1 2077 367 186 LEU CD1 C 27.254 0.089 2 2078 367 186 LEU CD2 C 23.766 0.047 2 2079 367 186 LEU N N 114.639 0.106 1 2080 368 187 PHE H H 8.210 0.010 1 2081 368 187 PHE HA H 5.170 0.007 1 2082 368 187 PHE HB2 H 2.668 0.012 2 2083 368 187 PHE HB3 H 3.267 0.012 2 2084 368 187 PHE HD1 H 7.150 0.021 3 2085 368 187 PHE HD2 H 7.150 0.021 3 2086 368 187 PHE HE1 H 6.746 0.004 3 2087 368 187 PHE HE2 H 6.746 0.004 3 2088 368 187 PHE HZ H 6.279 0.011 1 2089 368 187 PHE C C 177.245 0.000 1 2090 368 187 PHE CA C 55.546 0.078 1 2091 368 187 PHE CB C 40.116 0.108 1 2092 368 187 PHE CD1 C 132.200 0.163 3 2093 368 187 PHE CD2 C 132.200 0.163 3 2094 368 187 PHE CE1 C 130.306 0.043 3 2095 368 187 PHE CE2 C 130.306 0.043 3 2096 368 187 PHE CZ C 128.245 0.125 1 2097 368 187 PHE N N 115.486 0.147 1 2098 369 188 GLY H H 7.753 0.010 1 2099 369 188 GLY HA2 H 3.843 0.018 2 2100 369 188 GLY HA3 H 3.992 0.014 2 2101 369 188 GLY C C 173.931 0.000 1 2102 369 188 GLY CA C 47.064 0.056 1 2103 369 188 GLY N N 108.471 0.055 1 2104 370 189 ASN H H 8.415 0.006 1 2105 370 189 ASN HA H 4.716 0.009 1 2106 370 189 ASN HB2 H 2.744 0.015 2 2107 370 189 ASN HB3 H 2.769 0.008 2 2108 370 189 ASN HD21 H 6.833 0.006 1 2109 370 189 ASN HD22 H 7.522 0.010 1 2110 370 189 ASN C C 175.048 0.000 1 2111 370 189 ASN CA C 52.885 0.175 1 2112 370 189 ASN CB C 38.061 0.163 1 2113 370 189 ASN N N 116.270 0.150 1 2114 370 189 ASN ND2 N 112.456 0.066 1 2115 371 190 VAL H H 7.541 0.008 1 2116 371 190 VAL HA H 3.715 0.009 1 2117 371 190 VAL HB H 1.934 0.010 1 2118 371 190 VAL HG1 H 0.961 0.006 2 2119 371 190 VAL HG2 H 0.371 0.013 2 2120 371 190 VAL C C 174.837 0.000 1 2121 371 190 VAL CA C 63.698 0.109 1 2122 371 190 VAL CB C 32.440 0.149 1 2123 371 190 VAL CG1 C 22.329 0.106 2 2124 371 190 VAL CG2 C 20.626 0.031 2 2125 371 190 VAL N N 122.894 0.074 1 2126 372 191 VAL H H 7.918 0.008 1 2127 372 191 VAL HA H 3.804 0.016 1 2128 372 191 VAL HB H 1.705 0.006 1 2129 372 191 VAL HG1 H 0.723 0.041 2 2130 372 191 VAL HG2 H 0.669 0.042 2 2131 372 191 VAL C C 175.113 0.000 1 2132 372 191 VAL CA C 60.724 0.066 1 2133 372 191 VAL CB C 33.827 0.081 1 2134 372 191 VAL CG1 C 20.725 0.081 2 2135 372 191 VAL CG2 C 20.598 0.023 2 2136 372 191 VAL N N 127.254 0.066 1 2137 373 192 LEU H H 8.235 0.006 1 2138 373 192 LEU HA H 2.340 0.012 1 2139 373 192 LEU HB2 H 1.346 0.009 2 2140 373 192 LEU HB3 H 0.428 0.023 2 2141 373 192 LEU HG H 1.109 0.009 1 2142 373 192 LEU HD1 H -0.192 0.007 2 2143 373 192 LEU HD2 H 0.509 0.013 2 2144 373 192 LEU C C 175.734 0.000 1 2145 373 192 LEU CA C 53.134 0.039 1 2146 373 192 LEU CB C 38.404 0.078 1 2147 373 192 LEU CG C 25.620 0.065 1 2148 373 192 LEU CD1 C 22.229 0.022 2 2149 373 192 LEU CD2 C 26.429 0.079 2 2150 373 192 LEU N N 126.320 0.101 1 2151 374 193 LYS H H 6.324 0.009 1 2152 374 193 LYS HA H 4.051 0.005 1 2153 374 193 LYS HB2 H 1.786 0.009 2 2154 374 193 LYS HB3 H 1.623 0.004 2 2155 374 193 LYS HG2 H 1.363 0.001 1 2156 374 193 LYS HG3 H 1.363 0.000 1 2157 374 193 LYS HD2 H 1.610 0.008 2 2158 374 193 LYS HD3 H 1.604 0.000 2 2159 374 193 LYS HE2 H 2.971 0.000 1 2160 374 193 LYS HE3 H 2.971 0.000 1 2161 374 193 LYS C C 176.143 0.000 1 2162 374 193 LYS CA C 55.942 0.006 1 2163 374 193 LYS CB C 33.468 0.062 1 2164 374 193 LYS CG C 24.535 0.003 1 2165 374 193 LYS CD C 28.891 0.002 1 2166 374 193 LYS CE C 42.288 0.066 1 2167 374 193 LYS N N 126.075 0.087 1 2168 375 194 GLN H H 8.479 0.007 1 2169 375 194 GLN HA H 4.675 0.015 1 2170 375 194 GLN HB2 H 1.864 0.012 2 2171 375 194 GLN HB3 H 1.871 0.009 2 2172 375 194 GLN HG2 H 2.290 0.019 2 2173 375 194 GLN HG3 H 2.290 0.013 2 2174 375 194 GLN HE21 H 7.505 0.004 1 2175 375 194 GLN HE22 H 6.674 0.005 1 2176 375 194 GLN C C 176.433 0.000 1 2177 375 194 GLN CA C 55.897 0.092 1 2178 375 194 GLN CB C 29.778 0.037 1 2179 375 194 GLN CG C 34.058 0.063 1 2180 375 194 GLN N N 127.326 0.091 1 2181 375 194 GLN NE2 N 111.280 0.143 1 2182 376 195 VAL H H 9.507 0.011 1 2183 376 195 VAL HA H 3.876 0.009 1 2184 376 195 VAL HB H 2.033 0.009 1 2185 376 195 VAL HG1 H 0.953 0.007 2 2186 376 195 VAL HG2 H 0.900 0.015 2 2187 376 195 VAL C C 176.168 0.000 1 2188 376 195 VAL CA C 62.931 0.109 1 2189 376 195 VAL CB C 32.714 0.093 1 2190 376 195 VAL CG1 C 22.723 0.064 2 2191 376 195 VAL CG2 C 21.821 0.083 2 2192 376 195 VAL N N 124.426 0.110 1 2193 377 196 MET H H 8.236 0.010 1 2194 377 196 MET HA H 4.667 0.009 1 2195 377 196 MET HB2 H 1.929 0.000 2 2196 377 196 MET HB3 H 1.980 0.000 2 2197 377 196 MET HG2 H 2.520 0.002 2 2198 377 196 MET HG3 H 2.424 0.011 2 2199 377 196 MET HE H 1.995 0.003 1 2200 377 196 MET C C 175.523 0.000 1 2201 377 196 MET CA C 54.205 0.000 1 2202 377 196 MET CB C 33.205 0.003 1 2203 377 196 MET CG C 32.127 0.039 1 2204 377 196 MET CE C 17.282 0.017 1 2205 377 196 MET N N 126.810 0.087 1 2206 378 197 LYS H H 8.581 0.008 1 2207 378 197 LYS HA H 4.438 0.009 1 2208 378 197 LYS HB2 H 1.612 0.000 1 2209 378 197 LYS HB3 H 1.611 0.000 1 2210 378 197 LYS HG2 H 1.496 0.001 2 2211 378 197 LYS HG3 H 1.394 0.000 2 2212 378 197 LYS HD2 H 1.667 0.000 1 2213 378 197 LYS HD3 H 1.667 0.000 1 2214 378 197 LYS HE2 H 2.967 0.000 1 2215 378 197 LYS HE3 H 2.967 0.000 1 2216 378 197 LYS CA C 54.649 0.042 1 2217 378 197 LYS CB C 32.084 0.001 1 2218 378 197 LYS CG C 25.480 0.013 1 2219 378 197 LYS CD C 29.348 0.000 1 2220 378 197 LYS CE C 42.217 0.000 1 2221 378 197 LYS N N 124.908 0.052 1 2222 379 198 PRO HA H 4.420 0.000 1 2223 379 198 PRO HB2 H 1.958 0.000 2 2224 379 198 PRO HB3 H 1.644 0.000 2 2225 379 198 PRO HG2 H 1.816 0.000 1 2226 379 198 PRO HG3 H 1.816 0.000 1 2227 379 198 PRO HD2 H 3.630 0.007 2 2228 379 198 PRO HD3 H 3.824 0.002 2 2229 379 198 PRO C C 176.510 0.000 1 2230 379 198 PRO CA C 62.463 0.000 1 2231 379 198 PRO CB C 32.124 0.000 1 2232 379 198 PRO CD C 50.568 0.038 1 2233 380 199 LEU H H 9.036 0.014 1 2234 380 199 LEU HA H 4.066 0.004 1 2235 380 199 LEU HB2 H 1.440 0.000 2 2236 380 199 LEU HB3 H 1.206 0.008 2 2237 380 199 LEU HD1 H 0.776 0.011 2 2238 380 199 LEU HD2 H 0.767 0.013 2 2239 380 199 LEU C C 175.878 0.000 1 2240 380 199 LEU CA C 55.624 0.079 1 2241 380 199 LEU CB C 43.293 0.133 1 2242 380 199 LEU CD1 C 24.268 0.037 2 2243 380 199 LEU CD2 C 25.873 0.024 2 2244 380 199 LEU N N 123.659 0.071 1 2245 381 200 ARG H H 8.195 0.009 1 2246 381 200 ARG HA H 4.606 0.025 1 2247 381 200 ARG HB3 H 1.844 0.002 1 2248 381 200 ARG CA C 53.225 0.000 1 2249 381 200 ARG CB C 31.568 0.000 1 2250 381 200 ARG N N 118.949 0.097 1 2251 382 201 TRP H H 8.669 0.000 1 2252 382 201 TRP HA H 4.940 0.000 1 2253 382 201 TRP HB2 H 3.146 0.000 2 2254 382 201 TRP HB3 H 2.797 0.000 2 2255 382 201 TRP HD1 H 6.934 0.006 1 2256 382 201 TRP HE1 H 9.606 0.005 1 2257 382 201 TRP HE3 H 6.665 0.000 1 2258 382 201 TRP HZ2 H 7.464 0.006 1 2259 382 201 TRP HZ3 H 6.876 0.024 1 2260 382 201 TRP HH2 H 7.169 0.010 1 2261 382 201 TRP CD1 C 125.514 0.069 1 2262 382 201 TRP CZ2 C 115.020 0.034 1 2263 382 201 TRP CZ3 C 121.709 0.050 1 2264 382 201 TRP CH2 C 124.997 0.011 1 2265 382 201 TRP N N 120.532 0.000 1 2266 382 201 TRP NE1 N 128.988 0.061 1 2267 384 203 ASN HD21 H 6.833 0.010 1 2268 384 203 ASN HD22 H 8.696 0.006 1 2269 384 203 ASN ND2 N 111.956 0.127 1 2270 385 204 MET HA H 4.178 0.006 1 2271 385 204 MET HB2 H 2.830 0.000 2 2272 385 204 MET HB3 H 2.688 0.008 2 2273 385 204 MET HE H 1.913 0.002 1 2274 385 204 MET C C 179.343 0.000 1 2275 385 204 MET CA C 57.002 0.075 1 2276 385 204 MET CE C 16.810 0.016 1 2277 386 205 ALA H H 7.964 0.004 1 2278 386 205 ALA HA H 4.450 0.012 1 2279 386 205 ALA HB H 1.452 0.004 1 2280 386 205 ALA C C 178.037 0.000 1 2281 386 205 ALA CA C 52.423 0.039 1 2282 386 205 ALA CB C 20.528 0.037 1 2283 386 205 ALA N N 121.073 0.051 1 2284 387 206 THR H H 7.972 0.006 1 2285 387 206 THR HA H 4.291 0.004 1 2286 387 206 THR HB H 4.018 0.014 1 2287 387 206 THR HG2 H 1.106 0.005 1 2288 387 206 THR C C 173.303 0.000 1 2289 387 206 THR CA C 61.142 0.103 1 2290 387 206 THR CB C 69.971 0.015 1 2291 387 206 THR CG2 C 21.766 0.028 1 2292 387 206 THR N N 113.796 0.051 1 2293 388 207 MET H H 8.230 0.010 1 2294 388 207 MET HB2 H 1.545 0.004 2 2295 388 207 MET HB3 H 1.354 0.023 2 2296 388 207 MET HG2 H 2.274 0.004 2 2297 388 207 MET HG3 H 1.850 0.000 2 2298 388 207 MET HE H 1.847 0.002 1 2299 388 207 MET CA C 53.715 0.000 1 2300 388 207 MET CB C 33.463 0.066 1 2301 388 207 MET CG C 30.236 0.069 1 2302 388 207 MET CE C 16.723 0.018 1 2303 388 207 MET N N 124.725 0.051 1 2304 389 208 PRO HA H 4.255 0.009 1 2305 389 208 PRO HB2 H 1.590 0.000 2 2306 389 208 PRO HB3 H 2.007 0.005 2 2307 389 208 PRO HG2 H 1.594 0.004 2 2308 389 208 PRO HG3 H 1.660 0.000 2 2309 389 208 PRO HD2 H 3.134 0.000 2 2310 389 208 PRO HD3 H 2.790 0.000 2 2311 389 208 PRO C C 175.274 0.000 1 2312 389 208 PRO CA C 61.955 0.155 1 2313 389 208 PRO CB C 31.987 0.014 1 2314 389 208 PRO CG C 27.265 0.048 1 2315 390 209 THR H H 8.061 0.005 1 2316 390 209 THR HA H 3.867 0.000 1 2317 390 209 THR HB H 3.854 0.007 1 2318 390 209 THR HG2 H 1.078 0.005 1 2319 390 209 THR C C 174.185 0.000 1 2320 390 209 THR CA C 63.183 0.003 1 2321 390 209 THR CB C 68.935 0.093 1 2322 390 209 THR CG2 C 22.092 0.081 1 2323 390 209 THR N N 115.164 0.080 1 2324 391 210 LEU H H 8.203 0.011 1 2325 391 210 LEU HA H 4.379 0.006 1 2326 391 210 LEU HB2 H 1.506 0.009 2 2327 391 210 LEU HB3 H 1.511 0.010 2 2328 391 210 LEU HG H 1.649 0.014 1 2329 391 210 LEU HD1 H 0.533 0.004 2 2330 391 210 LEU HD2 H 0.712 0.011 2 2331 391 210 LEU CA C 52.437 0.115 1 2332 391 210 LEU CB C 40.498 0.057 1 2333 391 210 LEU CG C 26.673 0.054 1 2334 391 210 LEU CD1 C 22.037 0.038 2 2335 391 210 LEU CD2 C 25.834 0.059 2 2336 391 210 LEU N N 126.813 0.062 1 2337 392 211 PRO HA H 4.275 0.000 1 2338 392 211 PRO HB2 H 1.932 0.000 2 2339 392 211 PRO HB3 H 1.615 0.000 2 2340 392 211 PRO HD2 H 3.162 0.006 2 2341 392 211 PRO HD3 H 3.575 0.021 2 2342 392 211 PRO C C 175.029 0.000 1 2343 392 211 PRO CA C 62.584 0.000 1 2344 392 211 PRO CB C 31.848 0.000 1 2345 392 211 PRO CD C 50.027 0.154 1 2346 393 212 GLU H H 8.267 0.008 1 2347 393 212 GLU HA H 4.285 0.008 1 2348 393 212 GLU HB2 H 1.845 0.008 2 2349 393 212 GLU HB3 H 2.090 0.014 2 2350 393 212 GLU HG2 H 2.146 0.019 2 2351 393 212 GLU HG3 H 2.272 0.009 2 2352 393 212 GLU C C 177.507 0.000 1 2353 393 212 GLU CA C 56.782 0.072 1 2354 393 212 GLU CB C 31.904 0.100 1 2355 393 212 GLU CG C 36.051 0.027 1 2356 393 212 GLU N N 116.036 0.080 1 2357 394 213 THR H H 7.545 0.004 1 2358 394 213 THR HA H 4.617 0.032 1 2359 394 213 THR HB H 4.576 0.039 1 2360 394 213 THR HG2 H 1.232 0.006 1 2361 394 213 THR CA C 59.158 0.080 1 2362 394 213 THR CB C 71.521 0.000 1 2363 394 213 THR CG2 C 21.782 0.025 1 2364 394 213 THR N N 107.549 0.052 1 2365 395 214 GLN H H 9.083 0.005 1 2366 395 214 GLN HA H 3.764 0.010 1 2367 395 214 GLN HB2 H 2.039 0.027 1 2368 395 214 GLN HB3 H 2.039 0.027 1 2369 395 214 GLN HG2 H 2.448 0.004 2 2370 395 214 GLN HG3 H 2.325 0.007 2 2371 395 214 GLN HE21 H 7.771 0.006 1 2372 395 214 GLN HE22 H 6.978 0.006 1 2373 395 214 GLN C C 178.206 0.000 1 2374 395 214 GLN CA C 59.909 0.082 1 2375 395 214 GLN CB C 28.374 0.035 1 2376 395 214 GLN CG C 34.451 0.098 1 2377 395 214 GLN N N 121.961 0.080 1 2378 395 214 GLN NE2 N 113.217 0.057 1 2379 396 215 ALA H H 8.687 0.007 1 2380 396 215 ALA HA H 3.996 0.008 1 2381 396 215 ALA HB H 1.348 0.008 1 2382 396 215 ALA C C 180.919 0.000 1 2383 396 215 ALA CA C 55.267 0.160 1 2384 396 215 ALA CB C 18.217 0.074 1 2385 396 215 ALA N N 119.280 0.065 1 2386 397 216 GLY H H 8.078 0.004 1 2387 397 216 GLY HA2 H 3.788 0.000 1 2388 397 216 GLY HA3 H 3.788 0.000 1 2389 397 216 GLY C C 177.615 0.000 1 2390 397 216 GLY CA C 46.756 0.000 1 2391 397 216 GLY N N 107.102 0.047 1 2392 398 217 ILE H H 8.683 0.008 1 2393 398 217 ILE HA H 3.428 0.008 1 2394 398 217 ILE HB H 1.775 0.012 1 2395 398 217 ILE HG12 H 1.622 0.014 2 2396 398 217 ILE HG13 H 0.572 0.013 2 2397 398 217 ILE HG2 H 0.808 0.009 1 2398 398 217 ILE HD1 H 0.560 0.008 1 2399 398 217 ILE C C 177.711 0.000 1 2400 398 217 ILE CA C 66.127 0.133 1 2401 398 217 ILE CB C 38.054 0.056 1 2402 398 217 ILE CG1 C 30.632 0.092 1 2403 398 217 ILE CG2 C 19.297 0.035 1 2404 398 217 ILE CD1 C 14.397 0.036 1 2405 398 217 ILE N N 125.156 0.043 1 2406 399 218 LYS H H 8.330 0.011 1 2407 399 218 LYS HA H 3.774 0.010 1 2408 399 218 LYS HB2 H 1.891 0.027 2 2409 399 218 LYS HB3 H 1.816 0.026 2 2410 399 218 LYS HG2 H 1.350 0.006 2 2411 399 218 LYS HG3 H 1.636 0.003 2 2412 399 218 LYS HD2 H 1.606 0.000 2 2413 399 218 LYS HD3 H 1.605 0.001 2 2414 399 218 LYS HE2 H 2.861 0.019 1 2415 399 218 LYS HE3 H 2.861 0.019 1 2416 399 218 LYS C C 179.707 0.000 1 2417 399 218 LYS CA C 60.734 0.216 1 2418 399 218 LYS CB C 32.368 0.020 1 2419 399 218 LYS CG C 26.938 0.107 1 2420 399 218 LYS CD C 29.518 0.000 1 2421 399 218 LYS CE C 42.182 0.016 1 2422 399 218 LYS N N 117.977 0.093 1 2423 400 219 GLU H H 7.992 0.006 1 2424 400 219 GLU HA H 3.910 0.006 1 2425 400 219 GLU HB2 H 1.891 0.004 1 2426 400 219 GLU HB3 H 1.891 0.004 1 2427 400 219 GLU HG2 H 2.342 0.002 2 2428 400 219 GLU HG3 H 2.191 0.006 2 2429 400 219 GLU C C 178.032 0.000 1 2430 400 219 GLU CA C 59.209 0.056 1 2431 400 219 GLU CB C 29.352 0.003 1 2432 400 219 GLU CG C 36.380 0.048 1 2433 400 219 GLU N N 119.393 0.032 1 2434 401 220 GLU H H 7.796 0.011 1 2435 401 220 GLU HB2 H 2.071 0.003 1 2436 401 220 GLU HB3 H 2.071 0.003 1 2437 401 220 GLU HG2 H 2.274 0.000 1 2438 401 220 GLU HG3 H 2.274 0.000 1 2439 401 220 GLU CA C 58.927 0.000 1 2440 401 220 GLU CB C 28.990 0.000 1 2441 401 220 GLU CG C 35.890 0.000 1 2442 401 220 GLU N N 119.935 0.064 1 2443 402 221 ILE H H 8.714 0.011 1 2444 402 221 ILE HA H 3.381 0.014 1 2445 402 221 ILE HB H 1.939 0.015 1 2446 402 221 ILE HG2 H 0.769 0.004 1 2447 402 221 ILE HD1 H 0.702 0.003 1 2448 402 221 ILE C C 177.338 0.000 1 2449 402 221 ILE CA C 66.600 0.073 1 2450 402 221 ILE CB C 37.921 0.019 1 2451 402 221 ILE CG2 C 16.783 0.034 1 2452 402 221 ILE CD1 C 15.081 0.035 1 2453 402 221 ILE N N 120.259 0.182 1 2454 403 222 ARG H H 7.555 0.009 1 2455 403 222 ARG HA H 4.090 0.007 1 2456 403 222 ARG HB2 H 2.008 0.000 1 2457 403 222 ARG HB3 H 2.008 0.000 1 2458 403 222 ARG HG2 H 1.877 0.003 2 2459 403 222 ARG HG3 H 1.621 0.000 2 2460 403 222 ARG HD2 H 3.244 0.011 1 2461 403 222 ARG HD3 H 3.244 0.011 1 2462 403 222 ARG C C 180.032 0.000 1 2463 403 222 ARG CA C 60.047 0.048 1 2464 403 222 ARG CB C 29.860 0.000 1 2465 403 222 ARG CG C 27.949 0.022 1 2466 403 222 ARG CD C 43.895 0.000 1 2467 403 222 ARG N N 118.106 0.071 1 2468 404 223 ARG H H 7.630 0.007 1 2469 404 223 ARG HA H 3.460 0.002 1 2470 404 223 ARG HB2 H 1.839 0.000 1 2471 404 223 ARG HB3 H 1.839 0.000 1 2472 404 223 ARG HG2 H 1.871 0.000 2 2473 404 223 ARG HG3 H 1.370 0.014 2 2474 404 223 ARG C C 179.164 0.000 1 2475 404 223 ARG CA C 60.498 0.056 1 2476 404 223 ARG CB C 30.623 0.000 1 2477 404 223 ARG CG C 27.998 0.036 1 2478 404 223 ARG N N 118.418 0.152 1 2479 405 224 GLN H H 8.355 0.012 1 2480 405 224 GLN HA H 3.865 0.009 1 2481 405 224 GLN HB3 H 2.000 0.006 1 2482 405 224 GLN C C 178.534 0.000 1 2483 405 224 GLN CA C 57.940 0.000 1 2484 405 224 GLN CB C 26.915 0.000 1 2485 405 224 GLN N N 117.242 0.124 1 2486 406 225 GLU H H 9.256 0.007 1 2487 406 225 GLU HA H 4.089 0.003 1 2488 406 225 GLU HB2 H 1.923 0.006 1 2489 406 225 GLU HB3 H 1.923 0.006 1 2490 406 225 GLU HG2 H 2.094 0.003 2 2491 406 225 GLU HG3 H 2.579 0.005 2 2492 406 225 GLU C C 179.098 0.000 1 2493 406 225 GLU CA C 59.976 0.000 1 2494 406 225 GLU CB C 29.562 0.000 1 2495 406 225 GLU CG C 38.426 0.078 1 2496 406 225 GLU N N 118.416 0.074 1 2497 407 226 PHE H H 7.793 0.008 1 2498 407 226 PHE HA H 4.305 0.014 1 2499 407 226 PHE HB2 H 3.339 0.041 2 2500 407 226 PHE HB3 H 3.278 0.021 2 2501 407 226 PHE HD1 H 7.307 0.010 3 2502 407 226 PHE HD2 H 7.307 0.010 3 2503 407 226 PHE HE1 H 6.881 0.007 3 2504 407 226 PHE HE2 H 6.881 0.007 3 2505 407 226 PHE C C 178.124 0.000 1 2506 407 226 PHE CA C 61.837 0.050 1 2507 407 226 PHE CB C 39.480 0.042 1 2508 407 226 PHE CD1 C 132.024 0.056 3 2509 407 226 PHE CD2 C 132.024 0.056 3 2510 407 226 PHE CE1 C 132.885 0.097 3 2511 407 226 PHE CE2 C 132.885 0.097 3 2512 407 226 PHE N N 119.956 0.069 1 2513 408 227 LEU H H 7.478 0.007 1 2514 408 227 LEU HA H 3.971 0.000 1 2515 408 227 LEU HB2 H 1.923 0.007 2 2516 408 227 LEU HB3 H 1.644 0.000 2 2517 408 227 LEU HD2 H 0.886 0.003 1 2518 408 227 LEU C C 178.599 0.000 1 2519 408 227 LEU CA C 58.210 0.000 1 2520 408 227 LEU CB C 41.751 0.063 1 2521 408 227 LEU CD2 C 24.687 0.038 1 2522 408 227 LEU N N 120.429 0.076 1 2523 409 228 LEU H H 8.731 0.004 1 2524 409 228 LEU HA H 3.688 0.005 1 2525 409 228 LEU HB2 H 1.928 0.002 2 2526 409 228 LEU HB3 H 1.615 0.015 2 2527 409 228 LEU HG H 1.406 0.005 1 2528 409 228 LEU HD1 H 0.775 0.012 2 2529 409 228 LEU HD2 H 0.743 0.005 2 2530 409 228 LEU C C 177.992 0.000 1 2531 409 228 LEU CA C 58.693 0.080 1 2532 409 228 LEU CB C 41.810 0.028 1 2533 409 228 LEU CG C 26.364 0.088 1 2534 409 228 LEU CD1 C 24.960 0.061 2 2535 409 228 LEU CD2 C 25.859 0.052 2 2536 409 228 LEU N N 119.916 0.126 1 2537 410 229 ASN H H 7.896 0.008 1 2538 410 229 ASN HA H 4.352 0.011 1 2539 410 229 ASN HB2 H 2.794 0.015 2 2540 410 229 ASN HB3 H 2.701 0.026 2 2541 410 229 ASN HD21 H 7.490 0.006 1 2542 410 229 ASN HD22 H 6.912 0.005 1 2543 410 229 ASN C C 178.529 0.000 1 2544 410 229 ASN CA C 56.386 0.165 1 2545 410 229 ASN CB C 38.369 0.083 1 2546 410 229 ASN N N 115.208 0.105 1 2547 410 229 ASN ND2 N 112.752 0.049 1 2548 411 230 CYS H H 7.720 0.011 1 2549 411 230 CYS HA H 3.825 0.009 1 2550 411 230 CYS HB2 H 2.978 0.018 2 2551 411 230 CYS HB3 H 2.808 0.006 2 2552 411 230 CYS C C 176.626 0.000 1 2553 411 230 CYS CA C 63.492 0.135 1 2554 411 230 CYS CB C 26.662 0.088 1 2555 411 230 CYS N N 119.070 0.058 1 2556 412 231 LEU H H 8.441 0.016 1 2557 412 231 LEU HA H 3.983 0.004 1 2558 412 231 LEU HB3 H 1.866 0.001 1 2559 412 231 LEU HD1 H 0.649 0.013 2 2560 412 231 LEU HD2 H 0.843 0.009 2 2561 412 231 LEU C C 179.094 0.000 1 2562 412 231 LEU CA C 58.301 0.154 1 2563 412 231 LEU CB C 42.440 0.003 1 2564 412 231 LEU CD1 C 25.575 0.054 2 2565 412 231 LEU CD2 C 22.776 0.115 2 2566 412 231 LEU N N 120.566 0.057 1 2567 413 232 HIS H H 8.479 0.013 1 2568 413 232 HIS HA H 4.186 0.018 1 2569 413 232 HIS HB2 H 3.021 0.039 2 2570 413 232 HIS HB3 H 3.039 0.043 2 2571 413 232 HIS HD2 H 6.799 0.003 1 2572 413 232 HIS HE1 H 7.635 0.012 1 2573 413 232 HIS C C 178.604 0.000 1 2574 413 232 HIS CA C 59.753 0.105 1 2575 413 232 HIS CB C 30.475 0.054 1 2576 413 232 HIS CD2 C 119.722 0.064 1 2577 413 232 HIS CE1 C 138.218 0.110 1 2578 413 232 HIS N N 116.616 0.140 1 2579 414 233 ARG H H 7.663 0.012 1 2580 414 233 ARG HA H 3.941 0.034 1 2581 414 233 ARG HB2 H 2.051 0.008 2 2582 414 233 ARG HB3 H 1.882 0.000 2 2583 414 233 ARG HD3 H 3.027 0.004 1 2584 414 233 ARG C C 178.918 0.000 1 2585 414 233 ARG CA C 59.302 0.136 1 2586 414 233 ARG CB C 29.509 0.019 1 2587 414 233 ARG CD C 43.457 0.143 1 2588 414 233 ARG N N 118.901 0.073 1 2589 415 234 ASP H H 7.982 0.013 1 2590 415 234 ASP HA H 4.390 0.013 1 2591 415 234 ASP HB2 H 2.762 0.009 2 2592 415 234 ASP HB3 H 2.589 0.004 2 2593 415 234 ASP C C 178.174 0.000 1 2594 415 234 ASP CA C 56.690 0.154 1 2595 415 234 ASP CB C 40.787 0.097 1 2596 415 234 ASP N N 119.612 0.065 1 2597 416 235 LEU H H 7.943 0.013 1 2598 416 235 LEU HA H 4.269 0.019 1 2599 416 235 LEU HB3 H 1.642 0.000 1 2600 416 235 LEU HG H 1.640 0.001 1 2601 416 235 LEU HD1 H 0.852 0.005 2 2602 416 235 LEU HD2 H 0.701 0.004 2 2603 416 235 LEU C C 178.624 0.000 1 2604 416 235 LEU CA C 56.085 0.021 1 2605 416 235 LEU CB C 41.887 0.000 1 2606 416 235 LEU CG C 26.892 0.000 1 2607 416 235 LEU CD1 C 23.333 0.078 2 2608 416 235 LEU CD2 C 25.925 0.042 2 2609 416 235 LEU N N 119.272 0.068 1 2610 417 236 GLN H H 7.762 0.005 1 2611 417 236 GLN HA H 4.122 0.011 1 2612 417 236 GLN HB2 H 2.060 0.006 2 2613 417 236 GLN HB3 H 2.060 0.007 2 2614 417 236 GLN HG2 H 2.370 0.010 1 2615 417 236 GLN HG3 H 2.370 0.011 1 2616 417 236 GLN HE21 H 7.355 0.009 1 2617 417 236 GLN HE22 H 6.736 0.014 1 2618 417 236 GLN C C 176.910 0.000 1 2619 417 236 GLN CA C 57.184 0.088 1 2620 417 236 GLN CB C 28.761 0.174 1 2621 417 236 GLN CG C 33.851 0.019 1 2622 417 236 GLN N N 119.276 0.098 1 2623 417 236 GLN NE2 N 111.644 0.123 1 2624 418 237 GLY H H 8.181 0.013 1 2625 418 237 GLY HA2 H 3.928 0.032 2 2626 418 237 GLY HA3 H 3.991 0.006 2 2627 418 237 GLY C C 175.052 0.000 1 2628 418 237 GLY CA C 45.667 0.258 1 2629 418 237 GLY N N 107.531 0.038 1 2630 419 238 GLY H H 7.953 0.009 1 2631 419 238 GLY HA2 H 3.993 0.005 2 2632 419 238 GLY HA3 H 3.781 0.008 2 2633 419 238 GLY C C 174.295 0.000 1 2634 419 238 GLY CA C 45.522 0.094 1 2635 419 238 GLY N N 107.036 0.026 1 2636 420 239 ILE H H 7.496 0.005 1 2637 420 239 ILE HA H 3.983 0.012 1 2638 420 239 ILE HB H 1.761 0.019 1 2639 420 239 ILE HG12 H 1.380 0.013 2 2640 420 239 ILE HG13 H 1.114 0.005 2 2641 420 239 ILE HG2 H 0.804 0.005 1 2642 420 239 ILE HD1 H 0.774 0.013 1 2643 420 239 ILE C C 175.731 0.000 1 2644 420 239 ILE CA C 60.924 0.100 1 2645 420 239 ILE CB C 38.126 0.156 1 2646 420 239 ILE CG1 C 27.404 0.055 1 2647 420 239 ILE CG2 C 17.684 0.065 1 2648 420 239 ILE CD1 C 12.643 0.030 1 2649 420 239 ILE N N 119.936 0.034 1 2650 421 240 LYS H H 8.380 0.006 1 2651 421 240 LYS HA H 4.294 0.008 1 2652 421 240 LYS HB2 H 1.657 0.012 2 2653 421 240 LYS HB3 H 1.667 0.012 2 2654 421 240 LYS HG2 H 1.291 0.009 2 2655 421 240 LYS HG3 H 1.330 0.016 2 2656 421 240 LYS HD2 H 1.595 0.001 1 2657 421 240 LYS HD3 H 1.595 0.001 1 2658 421 240 LYS HE2 H 2.887 0.000 1 2659 421 240 LYS HE3 H 2.887 0.000 1 2660 421 240 LYS C C 175.632 0.000 1 2661 421 240 LYS CA C 55.448 0.034 1 2662 421 240 LYS CB C 32.252 0.038 1 2663 421 240 LYS CG C 24.441 0.043 1 2664 421 240 LYS CD C 28.812 0.013 1 2665 421 240 LYS CE C 42.146 0.007 1 2666 421 240 LYS N N 126.778 0.052 1 2667 422 241 ASP H H 8.206 0.014 1 2668 422 241 ASP HA H 4.585 0.013 1 2669 422 241 ASP HB2 H 2.670 0.011 2 2670 422 241 ASP HB3 H 2.420 0.007 2 2671 422 241 ASP C C 175.733 0.000 1 2672 422 241 ASP CA C 53.694 0.000 1 2673 422 241 ASP CB C 41.948 0.132 1 2674 422 241 ASP N N 124.236 0.057 1 2675 423 242 LEU H H 8.685 0.007 1 2676 423 242 LEU HA H 4.018 0.007 1 2677 423 242 LEU HB3 H 1.624 0.007 1 2678 423 242 LEU HG H 1.627 0.000 1 2679 423 242 LEU HD1 H 0.836 0.017 2 2680 423 242 LEU HD2 H 0.869 0.020 2 2681 423 242 LEU C C 179.106 0.000 1 2682 423 242 LEU CA C 58.120 0.000 1 2683 423 242 LEU CB C 41.498 0.099 1 2684 423 242 LEU CG C 26.893 0.000 1 2685 423 242 LEU CD1 C 23.856 0.031 2 2686 423 242 LEU CD2 C 24.813 0.031 2 2687 423 242 LEU N N 126.313 0.066 1 2688 424 243 SER H H 8.277 0.007 1 2689 424 243 SER HA H 4.245 0.007 1 2690 424 243 SER HB2 H 3.904 0.005 1 2691 424 243 SER HB3 H 3.904 0.005 1 2692 424 243 SER C C 177.714 0.000 1 2693 424 243 SER CA C 61.521 0.114 1 2694 424 243 SER CB C 62.568 0.116 1 2695 424 243 SER N N 114.541 0.070 1 2696 425 244 LYS H H 7.760 0.006 1 2697 425 244 LYS HA H 4.004 0.000 1 2698 425 244 LYS HB2 H 1.833 0.039 2 2699 425 244 LYS HB3 H 1.623 0.000 2 2700 425 244 LYS HG2 H 1.477 0.000 2 2701 425 244 LYS HG3 H 1.247 0.000 2 2702 425 244 LYS C C 178.142 0.000 1 2703 425 244 LYS CA C 59.559 0.000 1 2704 425 244 LYS CB C 32.796 0.000 1 2705 425 244 LYS N N 123.071 0.045 1 2706 426 245 GLU H H 8.002 0.002 1 2707 426 245 GLU HB2 H 2.263 0.005 2 2708 426 245 GLU HB3 H 1.998 0.000 2 2709 426 245 GLU C C 178.683 0.000 1 2710 426 245 GLU N N 119.482 0.000 1 2711 427 246 GLU H H 8.047 0.020 1 2712 427 246 GLU HA H 3.954 0.000 1 2713 427 246 GLU HB2 H 2.019 0.000 1 2714 427 246 GLU HB3 H 2.020 0.003 1 2715 427 246 GLU HG2 H 2.364 0.002 2 2716 427 246 GLU HG3 H 2.229 0.010 2 2717 427 246 GLU C C 179.583 0.000 1 2718 427 246 GLU CA C 59.457 0.000 1 2719 427 246 GLU CB C 29.490 0.000 1 2720 427 246 GLU CG C 36.609 0.000 1 2721 427 246 GLU N N 118.043 0.051 1 2722 428 247 ARG H H 7.736 0.011 1 2723 428 247 ARG HA H 4.127 0.010 1 2724 428 247 ARG HB2 H 2.058 0.000 1 2725 428 247 ARG HB3 H 2.058 0.000 1 2726 428 247 ARG C C 177.865 0.000 1 2727 428 247 ARG CA C 57.164 0.000 1 2728 428 247 ARG CB C 28.817 0.000 1 2729 428 247 ARG N N 120.526 0.105 1 2730 429 248 LEU H H 8.113 0.019 1 2731 429 248 LEU HA H 3.742 0.024 1 2732 429 248 LEU HB2 H 1.414 0.007 2 2733 429 248 LEU HB3 H 1.795 0.011 2 2734 429 248 LEU HG H 1.399 0.015 1 2735 429 248 LEU HD2 H 0.645 0.007 1 2736 429 248 LEU CA C 58.800 0.001 1 2737 429 248 LEU CB C 41.562 0.065 1 2738 429 248 LEU CG C 27.035 0.055 1 2739 429 248 LEU CD2 C 25.594 0.063 1 2740 429 248 LEU N N 120.671 0.109 1 2741 430 249 TRP H H 7.763 0.008 1 2742 430 249 TRP HA H 4.405 0.012 1 2743 430 249 TRP HB2 H 3.310 0.011 1 2744 430 249 TRP HB3 H 3.310 0.011 1 2745 430 249 TRP HD1 H 7.182 0.004 1 2746 430 249 TRP HE1 H 10.078 0.004 1 2747 430 249 TRP HE3 H 7.541 0.006 1 2748 430 249 TRP HZ2 H 7.305 0.006 1 2749 430 249 TRP HZ3 H 6.954 0.027 1 2750 430 249 TRP HH2 H 6.993 0.006 1 2751 430 249 TRP C C 178.999 0.000 1 2752 430 249 TRP CA C 59.960 0.062 1 2753 430 249 TRP CD1 C 126.997 0.053 1 2754 430 249 TRP CE3 C 120.871 0.087 1 2755 430 249 TRP CZ2 C 114.330 0.070 1 2756 430 249 TRP CZ3 C 121.610 0.037 1 2757 430 249 TRP CH2 C 124.336 0.053 1 2758 430 249 TRP N N 119.222 0.059 1 2759 430 249 TRP NE1 N 128.568 0.049 1 2760 431 250 GLU H H 7.963 0.009 1 2761 431 250 GLU C C 178.387 0.000 1 2762 431 250 GLU CA C 59.327 0.000 1 2763 431 250 GLU N N 120.931 0.084 1 2764 432 251 VAL H H 8.480 0.013 1 2765 432 251 VAL HA H 3.608 0.017 1 2766 432 251 VAL HB H 2.126 0.005 1 2767 432 251 VAL HG1 H 1.088 0.003 1 2768 432 251 VAL HG2 H 1.088 0.003 1 2769 432 251 VAL C C 178.437 0.000 1 2770 432 251 VAL CA C 66.570 0.056 1 2771 432 251 VAL CB C 31.785 0.047 1 2772 432 251 VAL CG1 C 23.650 0.106 1 2773 432 251 VAL N N 120.219 0.091 1 2774 433 252 GLN H H 8.313 0.009 1 2775 433 252 GLN HA H 4.018 0.000 1 2776 433 252 GLN HB2 H 2.175 0.000 2 2777 433 252 GLN HB3 H 1.992 0.000 2 2778 433 252 GLN HG2 H 2.232 0.000 2 2779 433 252 GLN HG3 H 2.480 0.000 2 2780 433 252 GLN HE21 H 6.709 0.005 1 2781 433 252 GLN HE22 H 6.973 0.005 1 2782 433 252 GLN CA C 59.527 0.000 1 2783 433 252 GLN CB C 28.107 0.223 1 2784 433 252 GLN CG C 34.372 0.069 1 2785 433 252 GLN N N 116.677 0.105 1 2786 433 252 GLN NE2 N 109.727 0.133 1 2787 434 253 ARG H H 7.990 0.004 1 2788 434 253 ARG HA H 3.936 0.000 1 2789 434 253 ARG C C 179.824 0.000 1 2790 434 253 ARG N N 119.394 0.000 1 2791 435 254 ILE H H 8.202 0.008 1 2792 435 254 ILE HA H 3.862 0.031 1 2793 435 254 ILE HB H 1.982 0.008 1 2794 435 254 ILE HG2 H 0.890 0.006 1 2795 435 254 ILE HD1 H 0.870 0.002 1 2796 435 254 ILE C C 177.858 0.000 1 2797 435 254 ILE CA C 66.394 0.074 1 2798 435 254 ILE CB C 38.517 0.032 1 2799 435 254 ILE CG2 C 17.772 0.014 1 2800 435 254 ILE CD1 C 14.704 0.042 1 2801 435 254 ILE N N 121.992 0.049 1 2802 436 255 LEU H H 8.924 0.005 1 2803 436 255 LEU HB2 H 1.440 0.002 2 2804 436 255 LEU HB3 H 2.002 0.026 2 2805 436 255 LEU HG H 1.606 0.004 1 2806 436 255 LEU HD1 H 1.012 0.003 2 2807 436 255 LEU HD2 H 0.857 0.008 2 2808 436 255 LEU C C 178.970 0.000 1 2809 436 255 LEU CA C 59.181 0.000 1 2810 436 255 LEU CB C 42.522 0.067 1 2811 436 255 LEU CD1 C 26.314 0.054 2 2812 436 255 LEU CD2 C 26.588 0.073 2 2813 436 255 LEU N N 121.052 0.100 1 2814 437 256 THR H H 8.211 0.005 1 2815 437 256 THR HA H 3.788 0.011 1 2816 437 256 THR HB H 4.225 0.006 1 2817 437 256 THR HG2 H 1.187 0.004 1 2818 437 256 THR C C 176.406 0.000 1 2819 437 256 THR CA C 67.127 0.050 1 2820 437 256 THR CB C 68.879 0.037 1 2821 437 256 THR CG2 C 21.670 0.039 1 2822 437 256 THR N N 115.180 0.093 1 2823 438 257 ALA H H 7.572 0.006 1 2824 438 257 ALA HA H 4.088 0.005 1 2825 438 257 ALA HB H 1.599 0.008 1 2826 438 257 ALA C C 180.703 0.000 1 2827 438 257 ALA CA C 55.424 0.077 1 2828 438 257 ALA CB C 18.616 0.056 1 2829 438 257 ALA N N 123.398 0.066 1 2830 439 258 LEU H H 8.767 0.009 1 2831 439 258 LEU HA H 3.809 0.016 1 2832 439 258 LEU HB2 H 2.147 0.001 2 2833 439 258 LEU HB3 H 1.932 0.012 2 2834 439 258 LEU HG H 1.931 0.008 1 2835 439 258 LEU HD1 H 0.886 0.007 2 2836 439 258 LEU HD2 H 0.816 0.005 2 2837 439 258 LEU C C 180.657 0.000 1 2838 439 258 LEU CA C 58.061 0.074 1 2839 439 258 LEU CB C 42.466 0.036 1 2840 439 258 LEU CG C 26.895 0.014 1 2841 439 258 LEU CD1 C 24.497 0.112 2 2842 439 258 LEU CD2 C 27.790 0.029 2 2843 439 258 LEU N N 118.600 0.084 1 2844 440 259 LYS H H 8.434 0.009 1 2845 440 259 LYS HA H 3.760 0.022 1 2846 440 259 LYS HB2 H 1.817 0.002 1 2847 440 259 LYS HB3 H 1.817 0.002 1 2848 440 259 LYS HG2 H 1.349 0.001 1 2849 440 259 LYS HG3 H 1.349 0.001 1 2850 440 259 LYS HD2 H 1.595 0.000 1 2851 440 259 LYS HD3 H 1.595 0.000 1 2852 440 259 LYS HE2 H 2.874 0.018 1 2853 440 259 LYS HE3 H 2.874 0.018 1 2854 440 259 LYS C C 179.724 0.000 1 2855 440 259 LYS CA C 60.410 0.141 1 2856 440 259 LYS CB C 32.097 0.000 1 2857 440 259 LYS CG C 24.674 0.000 1 2858 440 259 LYS CE C 42.166 0.010 1 2859 440 259 LYS N N 116.971 0.098 1 2860 441 260 ARG H H 7.629 0.008 1 2861 441 260 ARG HD2 H 3.131 0.000 1 2862 441 260 ARG HD3 H 3.131 0.000 1 2863 441 260 ARG C C 178.090 0.000 1 2864 441 260 ARG CA C 58.987 0.000 1 2865 441 260 ARG CB C 29.975 0.000 1 2866 441 260 ARG N N 118.193 0.075 1 2867 442 261 LYS H H 7.550 0.004 1 2868 442 261 LYS HG2 H 1.450 0.000 1 2869 442 261 LYS HG3 H 1.450 0.000 1 2870 442 261 LYS C C 178.267 0.000 1 2871 442 261 LYS CA C 57.615 0.000 1 2872 442 261 LYS CB C 32.539 0.000 1 2873 442 261 LYS N N 118.198 0.041 1 2874 443 262 LEU H H 7.640 0.010 1 2875 443 262 LEU HA H 4.127 0.021 1 2876 443 262 LEU HB2 H 1.651 0.016 2 2877 443 262 LEU HB3 H 1.658 0.014 2 2878 443 262 LEU HG H 1.642 0.010 1 2879 443 262 LEU HD1 H 0.802 0.021 2 2880 443 262 LEU HD2 H 0.833 0.013 2 2881 443 262 LEU C C 177.533 0.000 1 2882 443 262 LEU CA C 56.365 0.038 1 2883 443 262 LEU CB C 42.251 0.057 1 2884 443 262 LEU CG C 26.557 0.021 1 2885 443 262 LEU CD1 C 24.944 0.012 2 2886 443 262 LEU CD2 C 24.733 0.008 2 2887 443 262 LEU N N 118.908 0.034 1 2888 444 263 ARG H H 7.766 0.008 1 2889 444 263 ARG HA H 4.232 0.004 1 2890 444 263 ARG HB2 H 1.756 0.004 2 2891 444 263 ARG HB3 H 1.871 0.008 2 2892 444 263 ARG HG2 H 1.598 0.002 2 2893 444 263 ARG HG3 H 1.660 0.000 2 2894 444 263 ARG HD2 H 3.146 0.011 1 2895 444 263 ARG HD3 H 3.146 0.011 1 2896 444 263 ARG C C 176.480 0.000 1 2897 444 263 ARG CA C 56.503 0.073 1 2898 444 263 ARG CB C 30.739 0.172 1 2899 444 263 ARG CG C 27.342 0.050 1 2900 444 263 ARG CD C 43.500 0.046 1 2901 444 263 ARG N N 118.219 0.052 1 2902 445 264 GLU H H 7.906 0.006 1 2903 445 264 GLU HA H 4.230 0.006 1 2904 445 264 GLU HB2 H 2.048 0.006 2 2905 445 264 GLU HB3 H 1.877 0.004 2 2906 445 264 GLU HG2 H 2.194 0.020 2 2907 445 264 GLU HG3 H 2.245 0.023 2 2908 445 264 GLU C C 175.219 0.000 1 2909 445 264 GLU CA C 56.453 0.078 1 2910 445 264 GLU CB C 30.424 0.113 1 2911 445 264 GLU CG C 36.348 0.012 1 2912 445 264 GLU N N 119.962 0.032 1 2913 446 265 ALA H H 7.640 0.006 1 2914 446 265 ALA HA H 4.047 0.008 1 2915 446 265 ALA HB H 1.267 0.005 1 2916 446 265 ALA CA C 53.998 0.112 1 2917 446 265 ALA CB C 20.156 0.029 1 2918 446 265 ALA N N 129.357 0.048 1 stop_ save_