data_15578 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Evidence of reciprocical reorientation of the catalytic and hemopexin-like domains of full-length MMP-12 ; _BMRB_accession_number 15578 _BMRB_flat_file_name bmr15578.str _Entry_type original _Submission_date 2007-12-03 _Accession_date 2007-12-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; In this entry are deposited : _ Assignment of FL_MMP12. _ Assignment of hemopexin-like domain. _ RDCs obtained on FL_MMP12. _ R1, R2 and NOE data for catalytic, hemopexin-like domain and full-length protein. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini Ivano . . 2 Calderone Vito . . 3 Fragai Marco . . 4 Jaiswal Rahul . . 5 Luchinat Claudio . . 6 Melikian Maxime . . 7 Mylonas Efstratios . . 8 Svergun Dmitri I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1664 "13C chemical shifts" 1326 "15N chemical shifts" 375 "T1 relaxation values" 297 "T2 relaxation values" 314 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ _Original_release_date 2008-06-27 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18465858 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini I. . . 2 Calderone V. . . 3 Fragai M. . . 4 Jaiswal R. . . 5 Luchinat C. . . 6 Melikian M. . . 7 Mylonas E. . . 8 Svergun D. I. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 130 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7011 _Page_last 7021 _Year 2008 _Details . loop_ _Keyword assignment 'matrix metalloproteinase' mobility NMR RDC stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MMP12_HUMAN _Enzyme_commission_number 3.4.24.65 loop_ _Mol_system_component_name _Mol_label 'Full_Length Protein' $FL_MMP12 'Cadmium ion' $CD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Active MMP-12 protein composed by a catalytic and a hemopexin-like domain connected by a linker peptide.' save_ ######################## # Monomeric polymers # ######################## save_FL_MMP12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FL_MMP12 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'remodelling extracellular matrix' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 366 _Mol_residue_sequence ; MGPVWRKHYITYRINNYTPD MNREDVDYAIRKAFQVWSNV TPLKFSKINTGMADILVVFA RGAHGDDHAFDGKGGILAHA FGPGSGIGGDAHFDEDEFWT THSGGTNLFLTAVHAIGHSL GLGHSSDPKAVMFPTYKYVD INTFRLSADDIRGIQSLYGD PKENQRLPNPDNSEPALCDP NLSFDAVTTVGNKIFFFKDR FFWLKVSERPKTSVNLISSL WPTLPSGIEAAYEIEARNQV FLFKDDKYWLISNLRPEPNY PKSIHSFGFPNFVKKIDAAV FNPRFYRTYFFVDNQYWRYD ERRQMMDPGYPKLITKNFQG IGPKIDAVFYSKNKYYYFFQ GSNQFEYDFLLQRITKTLKS NSWFGC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 105 MET 2 106 GLY 3 107 PRO 4 108 VAL 5 109 TRP 6 110 ARG 7 111 LYS 8 112 HIS 9 113 TYR 10 114 ILE 11 115 THR 12 116 TYR 13 117 ARG 14 118 ILE 15 119 ASN 16 120 ASN 17 121 TYR 18 122 THR 19 123 PRO 20 124 ASP 21 125 MET 22 126 ASN 23 127 ARG 24 128 GLU 25 129 ASP 26 130 VAL 27 131 ASP 28 132 TYR 29 133 ALA 30 134 ILE 31 135 ARG 32 136 LYS 33 137 ALA 34 138 PHE 35 139 GLN 36 140 VAL 37 141 TRP 38 142 SER 39 143 ASN 40 144 VAL 41 145 THR 42 146 PRO 43 147 LEU 44 148 LYS 45 149 PHE 46 150 SER 47 151 LYS 48 152 ILE 49 153 ASN 50 154 THR 51 155 GLY 52 156 MET 53 157 ALA 54 158 ASP 55 159 ILE 56 160 LEU 57 161 VAL 58 162 VAL 59 163 PHE 60 164 ALA 61 165 ARG 62 166 GLY 63 167 ALA 64 168 HIS 65 169 GLY 66 170 ASP 67 171 ASP 68 172 HIS 69 173 ALA 70 174 PHE 71 175 ASP 72 176 GLY 73 177 LYS 74 178 GLY 75 179 GLY 76 180 ILE 77 181 LEU 78 182 ALA 79 183 HIS 80 184 ALA 81 185 PHE 82 186 GLY 83 187 PRO 84 188 GLY 85 189 SER 86 190 GLY 87 191 ILE 88 192 GLY 89 193 GLY 90 194 ASP 91 195 ALA 92 196 HIS 93 197 PHE 94 198 ASP 95 199 GLU 96 200 ASP 97 201 GLU 98 202 PHE 99 203 TRP 100 204 THR 101 205 THR 102 206 HIS 103 207 SER 104 208 GLY 105 209 GLY 106 210 THR 107 211 ASN 108 212 LEU 109 213 PHE 110 214 LEU 111 215 THR 112 216 ALA 113 217 VAL 114 218 HIS 115 219 ALA 116 220 ILE 117 221 GLY 118 222 HIS 119 223 SER 120 224 LEU 121 225 GLY 122 226 LEU 123 227 GLY 124 228 HIS 125 229 SER 126 230 SER 127 231 ASP 128 232 PRO 129 233 LYS 130 234 ALA 131 235 VAL 132 236 MET 133 237 PHE 134 238 PRO 135 239 THR 136 240 TYR 137 241 LYS 138 242 TYR 139 243 VAL 140 244 ASP 141 245 ILE 142 246 ASN 143 247 THR 144 248 PHE 145 249 ARG 146 250 LEU 147 251 SER 148 252 ALA 149 253 ASP 150 254 ASP 151 255 ILE 152 256 ARG 153 257 GLY 154 258 ILE 155 259 GLN 156 260 SER 157 261 LEU 158 262 TYR 159 263 GLY 160 264 ASP 161 265 PRO 162 266 LYS 163 267 GLU 164 268 ASN 165 269 GLN 166 270 ARG 167 271 LEU 168 272 PRO 169 273 ASN 170 274 PRO 171 275 ASP 172 276 ASN 173 277 SER 174 278 GLU 175 279 PRO 176 280 ALA 177 281 LEU 178 282 CYS 179 283 ASP 180 284 PRO 181 285 ASN 182 286 LEU 183 287 SER 184 288 PHE 185 289 ASP 186 290 ALA 187 291 VAL 188 292 THR 189 293 THR 190 294 VAL 191 295 GLY 192 296 ASN 193 297 LYS 194 298 ILE 195 299 PHE 196 300 PHE 197 301 PHE 198 302 LYS 199 303 ASP 200 304 ARG 201 305 PHE 202 306 PHE 203 307 TRP 204 308 LEU 205 309 LYS 206 310 VAL 207 311 SER 208 312 GLU 209 313 ARG 210 314 PRO 211 315 LYS 212 316 THR 213 317 SER 214 318 VAL 215 319 ASN 216 320 LEU 217 321 ILE 218 322 SER 219 323 SER 220 324 LEU 221 325 TRP 222 326 PRO 223 327 THR 224 328 LEU 225 329 PRO 226 330 SER 227 331 GLY 228 332 ILE 229 333 GLU 230 334 ALA 231 335 ALA 232 336 TYR 233 337 GLU 234 338 ILE 235 339 GLU 236 340 ALA 237 341 ARG 238 342 ASN 239 343 GLN 240 344 VAL 241 345 PHE 242 346 LEU 243 347 PHE 244 348 LYS 245 349 ASP 246 350 ASP 247 351 LYS 248 352 TYR 249 353 TRP 250 354 LEU 251 355 ILE 252 356 SER 253 357 ASN 254 358 LEU 255 359 ARG 256 360 PRO 257 361 GLU 258 362 PRO 259 363 ASN 260 364 TYR 261 365 PRO 262 366 LYS 263 367 SER 264 368 ILE 265 369 HIS 266 370 SER 267 371 PHE 268 372 GLY 269 373 PHE 270 374 PRO 271 375 ASN 272 376 PHE 273 377 VAL 274 378 LYS 275 379 LYS 276 380 ILE 277 381 ASP 278 382 ALA 279 383 ALA 280 384 VAL 281 385 PHE 282 386 ASN 283 387 PRO 284 388 ARG 285 389 PHE 286 390 TYR 287 391 ARG 288 392 THR 289 393 TYR 290 394 PHE 291 395 PHE 292 396 VAL 293 397 ASP 294 398 ASN 295 399 GLN 296 400 TYR 297 401 TRP 298 402 ARG 299 403 TYR 300 404 ASP 301 405 GLU 302 406 ARG 303 407 ARG 304 408 GLN 305 409 MET 306 410 MET 307 411 ASP 308 412 PRO 309 413 GLY 310 414 TYR 311 415 PRO 312 416 LYS 313 417 LEU 314 418 ILE 315 419 THR 316 420 LYS 317 421 ASN 318 422 PHE 319 423 GLN 320 424 GLY 321 425 ILE 322 426 GLY 323 427 PRO 324 428 LYS 325 429 ILE 326 430 ASP 327 431 ALA 328 432 VAL 329 433 PHE 330 434 TYR 331 435 SER 332 436 LYS 333 437 ASN 334 438 LYS 335 439 TYR 336 440 TYR 337 441 TYR 338 442 PHE 339 443 PHE 340 444 GLN 341 445 GLY 342 446 SER 343 447 ASN 344 448 GLN 345 449 PHE 346 450 GLU 347 451 TYR 348 452 ASP 349 453 PHE 350 454 LEU 351 455 LEU 352 456 GLN 353 457 ARG 354 458 ILE 355 459 THR 356 460 LYS 357 461 THR 358 462 LEU 359 463 LYS 360 464 SER 361 465 ASN 362 466 SER 363 467 TRP 364 468 PHE 365 469 GLY 366 470 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 2JXY "Solution Structure Of The Hemopexin-Like Domain Of Mmp12" 52.73 194 100.00 100.00 3.99e-137 PDB 3BA0 "Crystal Structure Of Full-Length Human Mmp-12" 99.73 365 99.73 99.73 0.00e+00 DBJ BAG36675 "unnamed protein product [Homo sapiens]" 99.73 470 99.45 99.45 0.00e+00 DBJ BAJ20684 "matrix metallopeptidase 12 [synthetic construct]" 99.73 470 99.45 99.45 0.00e+00 GB AAA58658 "metalloproteinase [Homo sapiens]" 99.73 470 99.45 99.45 0.00e+00 GB AAB36943 "metalloelastase, partial [Homo sapiens]" 65.57 240 99.58 99.58 4.72e-173 GB AAI12302 "Matrix metalloproteinase 12, preproprotein [Homo sapiens]" 99.73 470 99.45 99.45 0.00e+00 GB AAI43774 "Matrix metallopeptidase 12 (macrophage elastase) [Homo sapiens]" 99.73 470 99.18 99.45 0.00e+00 GB AAW29944 "matrix metalloproteinase 12 (macrophage elastase) [Homo sapiens]" 99.73 470 99.45 99.45 0.00e+00 REF NP_002417 "macrophage metalloelastase preproprotein [Homo sapiens]" 99.73 470 99.45 99.45 0.00e+00 REF XP_003828422 "PREDICTED: macrophage metalloelastase [Pan paniscus]" 99.73 470 98.63 98.63 0.00e+00 REF XP_004052087 "PREDICTED: macrophage metalloelastase [Gorilla gorilla gorilla]" 99.73 470 98.90 99.45 0.00e+00 REF XP_508724 "PREDICTED: macrophage metalloelastase [Pan troglodytes]" 99.73 470 98.63 98.63 0.00e+00 SP P39900 "RecName: Full=Macrophage metalloelastase; Short=MME; AltName: Full=Macrophage elastase; Short=ME; Short=hME; AltName: Full=Matr" 99.73 470 99.45 99.45 0.00e+00 stop_ save_ ############# # Ligands # ############# save_CD _Saveframe_category ligand _Mol_type non-polymer _Name_common "CD (CADMIUM ION)" _BMRB_code . _PDB_code CD _Molecular_mass 112.411 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 27 14:48:26 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CD CD CD . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FL_MMP12 Human 9606 Eukaryota Metazoa Homo Sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FL_MMP12 'recombinant technology' . Escherichia coli BL21(DE3) pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 6.5, no buffer' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FL_MMP12 . mM '[U-13C; U-15N]' $CD . mM . NaCl 300 mM . stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details 'TCI probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T1_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T1' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T2_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T2' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NOE_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NOE' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T1_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T1' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T2_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T2' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NOE_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NOE' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T1_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T1' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T2_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T2' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NOE_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NOE' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_IPAP_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '300 mM of NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 300 . mM pH 7.2 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citations $citations DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $citations $citations 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_Assignment_HPX _Saveframe_category assigned_chemical_shifts _Details 'Assignment of hemopexin-like domain of MMP12_HUMAN.' loop_ _Software_label $CARA stop_ loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D HNHA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Full_Length Protein' _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 1 108 4 VAL H H 8.229 0.020 1 2 108 4 VAL HA H 4.392 0.020 1 3 108 4 VAL HB H 1.215 0.020 1 4 108 4 VAL HG1 H 0.416 0.020 1 5 108 4 VAL C C 172.708 0.3 1 6 108 4 VAL CA C 59.780 0.3 1 7 108 4 VAL CB C 38.285 0.3 1 8 108 4 VAL CG1 C 24.761 0.3 1 9 108 4 VAL CG2 C 24.152 0.3 1 10 108 4 VAL N N 110.210 0.3 1 11 109 5 TRP H H 7.929 0.020 1 12 109 5 TRP HA H 4.982 0.020 1 13 109 5 TRP HE1 H 9.288 0.020 1 14 109 5 TRP C C 172.235 0.3 1 15 109 5 TRP CA C 52.628 0.3 1 16 109 5 TRP CB C 25.732 0.3 1 17 109 5 TRP N N 122.976 0.3 1 18 109 5 TRP NE1 N 125.655 0.3 1 19 110 6 ARG H H 7.458 0.020 1 20 110 6 ARG HA H 4.423 0.020 1 21 110 6 ARG HB2 H 1.837 0.020 1 22 110 6 ARG C C 177.138 0.3 1 23 110 6 ARG CA C 51.629 0.3 1 24 110 6 ARG CB C 27.705 0.3 1 25 110 6 ARG N N 115.526 0.3 1 26 113 9 TYR H H 6.867 0.020 1 27 113 9 TYR HA H 4.715 0.020 1 28 113 9 TYR HB2 H 2.748 0.020 2 29 113 9 TYR HB3 H 2.608 0.020 2 30 113 9 TYR C C 171.180 0.3 1 31 113 9 TYR CA C 53.836 0.3 1 32 113 9 TYR CB C 35.460 0.3 1 33 113 9 TYR N N 119.899 0.3 1 34 114 10 ILE H H 8.194 0.020 1 35 114 10 ILE HA H 4.040 0.020 1 36 114 10 ILE HB H 1.250 0.020 1 37 114 10 ILE HD1 H 0.014 0.020 1 38 114 10 ILE HG12 H 0.654 0.020 2 39 114 10 ILE HG13 H 0.100 0.020 2 40 114 10 ILE HG2 H 0.276 0.020 1 41 114 10 ILE C C 172.521 0.3 1 42 114 10 ILE CA C 56.317 0.3 1 43 114 10 ILE CB C 37.489 0.3 1 44 114 10 ILE CD1 C 10.099 0.3 1 45 114 10 ILE CG1 C 25.467 0.3 1 46 114 10 ILE CG2 C 14.085 0.3 1 47 114 10 ILE N N 128.394 0.3 1 48 115 11 THR H H 9.097 0.020 1 49 115 11 THR HA H 5.240 0.020 1 50 115 11 THR HB H 3.977 0.020 1 51 115 11 THR HG2 H 0.968 0.020 1 52 115 11 THR C C 171.799 0.3 1 53 115 11 THR CA C 55.860 0.3 1 54 115 11 THR CB C 69.955 0.3 1 55 115 11 THR CG2 C 19.124 0.3 1 56 115 11 THR N N 117.229 0.3 1 57 116 12 TYR H H 8.546 0.020 1 58 116 12 TYR HA H 5.741 0.020 1 59 116 12 TYR HB2 H 2.861 0.020 2 60 116 12 TYR HB3 H 2.230 0.020 2 61 116 12 TYR C C 169.021 0.3 1 62 116 12 TYR CA C 52.174 0.3 1 63 116 12 TYR CB C 40.428 0.3 1 64 116 12 TYR N N 117.274 0.3 1 65 117 13 ARG H H 8.291 0.020 1 66 117 13 ARG HA H 4.694 0.020 1 67 117 13 ARG HB2 H 1.496 0.020 1 68 117 13 ARG HD2 H 2.890 0.020 1 69 117 13 ARG HG2 H 1.462 0.020 1 70 117 13 ARG C C 171.433 0.3 1 71 117 13 ARG CA C 51.743 0.3 1 72 117 13 ARG CB C 32.535 0.3 1 73 117 13 ARG CD C 39.796 0.3 1 74 117 13 ARG CG C 26.116 0.3 1 75 117 13 ARG N N 118.851 0.3 1 76 118 14 ILE H H 9.110 0.020 1 77 118 14 ILE HA H 4.217 0.020 1 78 118 14 ILE HB H 1.614 0.020 1 79 118 14 ILE HD1 H 0.878 0.020 1 80 118 14 ILE HG12 H 1.609 0.020 2 81 118 14 ILE HG13 H 0.661 0.020 2 82 118 14 ILE HG2 H -0.016 0.020 1 83 118 14 ILE C C 172.315 0.3 1 84 118 14 ILE CA C 58.600 0.3 1 85 118 14 ILE CB C 33.524 0.3 1 86 118 14 ILE CD1 C 10.326 0.3 1 87 118 14 ILE CG1 C 25.155 0.3 1 88 118 14 ILE CG2 C 13.861 0.3 1 89 118 14 ILE N N 127.164 0.3 1 90 119 15 ASN H H 9.604 0.020 1 91 119 15 ASN HA H 4.207 0.020 1 92 119 15 ASN HB2 H 2.999 0.020 2 93 119 15 ASN HB3 H 2.411 0.020 2 94 119 15 ASN HD21 H 7.946 0.020 1 95 119 15 ASN HD22 H 7.021 0.020 1 96 119 15 ASN C C 171.058 0.3 1 97 119 15 ASN CA C 53.577 0.3 1 98 119 15 ASN CB C 38.873 0.3 1 99 119 15 ASN N N 128.561 0.3 1 100 119 15 ASN ND2 N 112.162 0.3 1 101 120 16 ASN H H 7.718 0.020 1 102 120 16 ASN HA H 4.580 0.020 1 103 120 16 ASN HB2 H 2.939 0.020 2 104 120 16 ASN HB3 H 2.796 0.020 2 105 120 16 ASN HD21 H 7.821 0.020 1 106 120 16 ASN HD22 H 6.887 0.020 1 107 120 16 ASN C C 167.039 0.3 1 108 120 16 ASN CA C 49.167 0.3 1 109 120 16 ASN CB C 35.780 0.3 1 110 120 16 ASN CG C 175.137 0.3 1 111 120 16 ASN N N 113.007 0.3 1 112 120 16 ASN ND2 N 114.847 0.3 1 113 121 17 TYR H H 8.537 0.020 1 114 121 17 TYR HA H 3.981 0.020 1 115 121 17 TYR HB2 H 2.721 0.020 2 116 121 17 TYR HB3 H 2.482 0.020 2 117 121 17 TYR C C 172.355 0.3 1 118 121 17 TYR CA C 55.977 0.3 1 119 121 17 TYR CB C 36.071 0.3 1 120 121 17 TYR N N 114.955 0.3 1 121 122 18 THR H H 8.090 0.020 1 122 122 18 THR HA H 4.702 0.020 1 123 122 18 THR HB H 3.739 0.020 1 124 122 18 THR HG2 H 1.301 0.020 1 125 122 18 THR C C 170.997 0.3 1 126 122 18 THR CA C 55.892 0.3 1 127 122 18 THR N N 115.752 0.3 1 128 123 19 PRO HA H 4.256 0.020 1 129 123 19 PRO HB2 H 2.129 0.020 2 130 123 19 PRO HB3 H 1.970 0.020 2 131 123 19 PRO HD2 H 3.653 0.020 2 132 123 19 PRO HD3 H 3.488 0.020 2 133 123 19 PRO HG2 H 1.800 0.020 2 134 123 19 PRO HG3 H 1.716 0.020 2 135 123 19 PRO C C 174.321 0.3 1 136 123 19 PRO CA C 60.248 0.3 1 137 123 19 PRO CB C 28.839 0.3 1 138 123 19 PRO CD C 47.924 0.3 1 139 123 19 PRO CG C 24.249 0.3 1 140 123 19 PRO N N 139.641 0.3 1 141 124 20 ASP H H 8.739 0.020 1 142 124 20 ASP HA H 3.987 0.020 1 143 124 20 ASP HB2 H 2.582 0.020 2 144 124 20 ASP HB3 H 2.403 0.020 2 145 124 20 ASP C C 173.123 0.3 1 146 124 20 ASP CA C 53.310 0.3 1 147 124 20 ASP CB C 39.097 0.3 1 148 124 20 ASP CG C 178.210 0.3 1 149 124 20 ASP N N 121.788 0.3 1 150 125 21 MET H H 6.811 0.020 1 151 125 21 MET HA H 4.477 0.020 1 152 125 21 MET HB2 H 2.157 0.020 2 153 125 21 MET HB3 H 1.273 0.020 2 154 125 21 MET HE H 0.306 0.020 1 155 125 21 MET HG2 H 2.208 0.020 2 156 125 21 MET HG3 H 1.955 0.020 2 157 125 21 MET C C 172.078 0.3 1 158 125 21 MET CA C 50.542 0.3 1 159 125 21 MET CB C 36.413 0.3 1 160 125 21 MET CG C 29.118 0.3 1 161 125 21 MET N N 113.047 0.3 1 162 126 22 ASN H H 8.820 0.020 1 163 126 22 ASN HA H 4.537 0.020 1 164 126 22 ASN HB2 H 2.728 0.020 2 165 126 22 ASN HB3 H 2.641 0.020 2 166 126 22 ASN HD21 H 7.551 0.020 1 167 126 22 ASN HD22 H 6.879 0.020 1 168 126 22 ASN C C 174.513 0.3 1 169 126 22 ASN CA C 50.426 0.3 1 170 126 22 ASN CB C 35.260 0.3 1 171 126 22 ASN N N 118.643 0.3 1 172 126 22 ASN ND2 N 113.938 0.3 1 173 127 23 ARG H H 8.902 0.020 1 174 127 23 ARG HA H 3.648 0.020 1 175 127 23 ARG HB2 H 1.345 0.020 2 176 127 23 ARG HB3 H 1.234 0.020 2 177 127 23 ARG HD2 H 2.550 0.020 2 178 127 23 ARG HD3 H 2.470 0.020 2 179 127 23 ARG HG2 H 0.917 0.020 2 180 127 23 ARG HG3 H 0.870 0.020 2 181 127 23 ARG C C 175.219 0.3 1 182 127 23 ARG CA C 57.689 0.3 1 183 127 23 ARG CB C 26.961 0.3 1 184 127 23 ARG CD C 40.427 0.3 1 185 127 23 ARG CG C 23.803 0.3 1 186 127 23 ARG N N 125.970 0.3 1 187 128 24 GLU H H 9.022 0.020 1 188 128 24 GLU HA H 4.023 0.020 1 189 128 24 GLU HB2 H 1.874 0.020 1 190 128 24 GLU HG2 H 2.201 0.020 1 191 128 24 GLU C C 176.605 0.3 1 192 128 24 GLU CA C 56.726 0.3 1 193 128 24 GLU CB C 25.740 0.3 1 194 128 24 GLU CG C 33.519 0.3 1 195 128 24 GLU N N 116.093 0.3 1 196 129 25 ASP H H 7.409 0.020 1 197 129 25 ASP HA H 4.555 0.020 1 198 129 25 ASP HB2 H 2.757 0.020 2 199 129 25 ASP HB3 H 2.515 0.020 2 200 129 25 ASP C C 176.396 0.3 1 201 129 25 ASP CA C 54.232 0.3 1 202 129 25 ASP CB C 37.939 0.3 1 203 129 25 ASP N N 119.843 0.3 1 204 130 26 VAL H H 7.683 0.020 1 205 130 26 VAL HA H 3.402 0.020 1 206 130 26 VAL HB H 2.478 0.020 1 207 130 26 VAL HG1 H 0.875 0.020 1 208 130 26 VAL HG2 H 0.784 0.020 1 209 130 26 VAL C C 174.401 0.3 1 210 130 26 VAL CA C 64.009 0.3 1 211 130 26 VAL CB C 28.581 0.3 1 212 130 26 VAL CG1 C 21.225 0.3 1 213 130 26 VAL CG2 C 18.584 0.3 1 214 130 26 VAL N N 123.993 0.3 1 215 131 27 ASP H H 8.300 0.020 1 216 131 27 ASP HA H 4.249 0.020 1 217 131 27 ASP HB2 H 2.717 0.020 2 218 131 27 ASP HB3 H 2.585 0.020 2 219 131 27 ASP C C 176.864 0.3 1 220 131 27 ASP CA C 55.161 0.3 1 221 131 27 ASP CB C 37.356 0.3 1 222 131 27 ASP N N 118.287 0.3 1 223 132 28 TYR H H 8.090 0.020 1 224 132 28 TYR HA H 4.088 0.020 1 225 132 28 TYR HB2 H 3.188 0.020 2 226 132 28 TYR HB3 H 2.985 0.020 2 227 132 28 TYR C C 173.490 0.3 1 228 132 28 TYR CA C 58.942 0.3 1 229 132 28 TYR CB C 35.942 0.3 1 230 132 28 TYR N N 119.607 0.3 1 231 133 29 ALA H H 7.984 0.020 1 232 133 29 ALA HA H 3.799 0.020 1 233 133 29 ALA HB H 1.386 0.020 1 234 133 29 ALA C C 176.604 0.3 1 235 133 29 ALA CA C 52.892 0.3 1 236 133 29 ALA CB C 15.638 0.3 1 237 133 29 ALA N N 121.412 0.3 1 238 134 30 ILE H H 7.983 0.020 1 239 134 30 ILE HA H 3.429 0.020 1 240 134 30 ILE HB H 2.035 0.020 1 241 134 30 ILE HD1 H 0.180 0.020 1 242 134 30 ILE HG12 H 1.547 0.020 2 243 134 30 ILE HG13 H 0.966 0.020 2 244 134 30 ILE HG2 H 0.640 0.020 1 245 134 30 ILE C C 174.488 0.3 1 246 134 30 ILE CA C 59.172 0.3 1 247 134 30 ILE CB C 32.607 0.3 1 248 134 30 ILE CD1 C 5.650 0.3 1 249 134 30 ILE CG1 C 24.430 0.3 1 250 134 30 ILE CG2 C 15.987 0.3 1 251 134 30 ILE N N 113.835 0.3 1 252 135 31 ARG H H 8.200 0.020 1 253 135 31 ARG HA H 4.002 0.020 1 254 135 31 ARG HB2 H 1.958 0.020 2 255 135 31 ARG HB3 H 1.882 0.020 2 256 135 31 ARG HD2 H 3.178 0.020 1 257 135 31 ARG HG2 H 1.650 0.020 2 258 135 31 ARG HG3 H 1.492 0.020 2 259 135 31 ARG C C 177.059 0.3 1 260 135 31 ARG CA C 57.446 0.3 1 261 135 31 ARG CB C 27.322 0.3 1 262 135 31 ARG CD C 41.111 0.3 1 263 135 31 ARG CG C 24.141 0.3 1 264 135 31 ARG N N 119.589 0.3 1 265 136 32 LYS H H 8.462 0.020 1 266 136 32 LYS HA H 3.802 0.020 1 267 136 32 LYS HB2 H 1.439 0.020 1 268 136 32 LYS HD2 H 0.861 0.020 2 269 136 32 LYS HD3 H 0.827 0.020 2 270 136 32 LYS HG2 H 1.481 0.020 2 271 136 32 LYS HG3 H 1.408 0.020 2 272 136 32 LYS C C 175.953 0.3 1 273 136 32 LYS CA C 55.402 0.3 1 274 136 32 LYS CB C 27.967 0.3 1 275 136 32 LYS CD C 25.000 0.3 1 276 136 32 LYS CE C 38.848 0.3 1 277 136 32 LYS CG C 21.550 0.3 1 278 136 32 LYS N N 118.961 0.3 1 279 137 33 ALA H H 7.948 0.020 1 280 137 33 ALA HA H 3.827 0.020 1 281 137 33 ALA HB H 0.986 0.020 1 282 137 33 ALA C C 175.821 0.3 1 283 137 33 ALA CA C 52.703 0.3 1 284 137 33 ALA CB C 16.021 0.3 1 285 137 33 ALA N N 123.489 0.3 1 286 138 34 PHE H H 7.649 0.020 1 287 138 34 PHE HA H 3.633 0.020 1 288 138 34 PHE HB2 H 2.477 0.020 1 289 138 34 PHE C C 175.936 0.3 1 290 138 34 PHE CA C 61.080 0.3 1 291 138 34 PHE CB C 35.926 0.3 1 292 138 34 PHE N N 113.900 0.3 1 293 139 35 GLN H H 8.040 0.020 1 294 139 35 GLN HA H 4.101 0.020 1 295 139 35 GLN HB2 H 2.158 0.020 1 296 139 35 GLN HE21 H 7.533 0.020 1 297 139 35 GLN HE22 H 6.887 0.020 1 298 139 35 GLN HG2 H 2.446 0.020 2 299 139 35 GLN HG3 H 2.330 0.020 2 300 139 35 GLN C C 175.057 0.3 1 301 139 35 GLN CA C 55.576 0.3 1 302 139 35 GLN CB C 25.719 0.3 1 303 139 35 GLN CG C 31.187 0.3 1 304 139 35 GLN N N 118.904 0.3 1 305 139 35 GLN NE2 N 112.879 0.3 1 306 140 36 VAL H H 7.579 0.020 1 307 140 36 VAL HA H 3.538 0.020 1 308 140 36 VAL HB H 1.972 0.020 1 309 140 36 VAL HG1 H 1.014 0.020 1 310 140 36 VAL HG2 H 0.401 0.020 1 311 140 36 VAL C C 175.451 0.3 1 312 140 36 VAL CA C 63.266 0.3 1 313 140 36 VAL CB C 28.204 0.3 1 314 140 36 VAL CG1 C 20.036 0.3 1 315 140 36 VAL CG2 C 18.987 0.3 1 316 140 36 VAL N N 116.949 0.3 1 317 141 37 TRP H H 6.641 0.020 1 318 141 37 TRP HA H 4.688 0.020 1 319 141 37 TRP HB2 H 3.059 0.020 2 320 141 37 TRP HB3 H 2.961 0.020 2 321 141 37 TRP HE1 H 10.027 0.020 1 322 141 37 TRP C C 177.917 0.3 1 323 141 37 TRP CA C 55.625 0.3 1 324 141 37 TRP CB C 27.639 0.3 1 325 141 37 TRP N N 116.762 0.3 1 326 141 37 TRP NE1 N 128.128 0.3 1 327 142 38 SER H H 8.963 0.020 1 328 142 38 SER HA H 4.199 0.020 1 329 142 38 SER HB2 H 4.258 0.020 2 330 142 38 SER HB3 H 4.073 0.020 2 331 142 38 SER C C 173.046 0.3 1 332 142 38 SER CA C 58.680 0.3 1 333 142 38 SER CB C 60.893 0.3 1 334 142 38 SER N N 117.922 0.3 1 335 143 39 ASN H H 8.012 0.020 1 336 143 39 ASN HA H 4.557 0.020 1 337 143 39 ASN HB2 H 2.905 0.020 2 338 143 39 ASN HB3 H 2.802 0.020 2 339 143 39 ASN HD21 H 7.524 0.020 1 340 143 39 ASN HD22 H 6.917 0.020 1 341 143 39 ASN C C 174.066 0.3 1 342 143 39 ASN CA C 52.229 0.3 1 343 143 39 ASN CB C 36.206 0.3 1 344 143 39 ASN N N 114.792 0.3 1 345 143 39 ASN ND2 N 111.562 0.3 1 346 144 40 VAL H H 7.025 0.020 1 347 144 40 VAL HA H 4.684 0.020 1 348 144 40 VAL HB H 2.576 0.020 1 349 144 40 VAL HG1 H 0.807 0.020 1 350 144 40 VAL HG2 H 1.051 0.020 1 351 144 40 VAL C C 171.526 0.3 1 352 144 40 VAL CA C 57.522 0.3 1 353 144 40 VAL CB C 29.799 0.3 1 354 144 40 VAL CG1 C 18.555 0.3 1 355 144 40 VAL CG2 C 15.979 0.3 1 356 144 40 VAL N N 105.538 0.3 1 357 145 41 THR H H 7.459 0.020 1 358 145 41 THR HA H 5.168 0.020 1 359 145 41 THR HB H 3.983 0.020 1 360 145 41 THR HG2 H 1.379 0.020 1 361 145 41 THR C C 169.788 0.3 1 362 145 41 THR CA C 57.105 0.3 1 363 145 41 THR CB C 69.444 0.3 1 364 145 41 THR CG2 C 21.848 0.3 1 365 145 41 THR N N 109.982 0.3 1 366 146 42 PRO HB2 H 1.559 0.020 1 367 146 42 PRO HD2 H 2.880 0.020 1 368 146 42 PRO HG2 H 1.505 0.020 1 369 146 42 PRO C C 172.744 0.3 1 370 146 42 PRO CA C 60.612 0.3 1 371 146 42 PRO CB C 29.517 0.3 1 372 146 42 PRO CG C 24.247 0.3 1 373 146 42 PRO N N 128.123 0.3 1 374 147 43 LEU H H 7.204 0.020 1 375 147 43 LEU HA H 4.334 0.020 1 376 147 43 LEU HB2 H 2.013 0.020 1 377 147 43 LEU HD1 H 0.594 0.020 1 378 147 43 LEU HD2 H 0.540 0.020 1 379 147 43 LEU HG H 1.571 0.020 1 380 147 43 LEU C C 173.450 0.3 1 381 147 43 LEU CA C 56.586 0.3 1 382 147 43 LEU CD1 C 20.207 0.3 1 383 147 43 LEU CG C 26.192 0.3 1 384 147 43 LEU N N 111.126 0.3 1 385 148 44 LYS H H 8.119 0.020 1 386 148 44 LYS HA H 4.335 0.020 1 387 148 44 LYS HG2 H 1.297 0.020 1 388 148 44 LYS C C 173.352 0.3 1 389 148 44 LYS CA C 51.438 0.3 1 390 148 44 LYS CB C 38.300 0.3 1 391 148 44 LYS N N 122.655 0.3 1 392 149 45 PHE H H 8.109 0.020 1 393 149 45 PHE HA H 5.582 0.020 1 394 149 45 PHE HB2 H 2.402 0.020 2 395 149 45 PHE HB3 H 2.104 0.020 2 396 149 45 PHE C C 173.785 0.3 1 397 149 45 PHE CA C 52.812 0.3 1 398 149 45 PHE CB C 39.011 0.3 1 399 149 45 PHE N N 119.696 0.3 1 400 150 46 SER H H 7.975 0.020 1 401 150 46 SER HA H 4.522 0.020 1 402 150 46 SER HB2 H 3.422 0.020 2 403 150 46 SER HB3 H 3.314 0.020 2 404 150 46 SER C C 168.253 0.3 1 405 150 46 SER CA C 53.971 0.3 1 406 150 46 SER CB C 63.031 0.3 1 407 150 46 SER N N 116.544 0.3 1 408 151 47 LYS H H 8.057 0.020 1 409 151 47 LYS HA H 3.314 0.020 1 410 151 47 LYS HB2 H 1.355 0.020 2 411 151 47 LYS HB3 H 0.994 0.020 2 412 151 47 LYS HD2 H 1.650 0.020 1 413 151 47 LYS HE2 H 2.939 0.020 1 414 151 47 LYS HG2 H 0.799 0.020 1 415 151 47 LYS C C 173.735 0.3 1 416 151 47 LYS CA C 52.434 0.3 1 417 151 47 LYS CB C 30.468 0.3 1 418 151 47 LYS CD C 27.337 0.3 1 419 151 47 LYS CE C 40.160 0.3 1 420 151 47 LYS CG C 22.990 0.3 1 421 151 47 LYS N N 127.558 0.3 1 422 152 48 ILE H H 8.683 0.020 1 423 152 48 ILE HA H 4.504 0.020 1 424 152 48 ILE HB H 1.810 0.020 1 425 152 48 ILE HD1 H 0.541 0.020 1 426 152 48 ILE HG12 H 0.989 0.020 2 427 152 48 ILE HG13 H 0.815 0.020 2 428 152 48 ILE HG2 H 0.653 0.020 1 429 152 48 ILE C C 172.186 0.3 1 430 152 48 ILE CA C 56.182 0.3 1 431 152 48 ILE CB C 37.688 0.3 1 432 152 48 ILE CD1 C 9.750 0.3 1 433 152 48 ILE CG1 C 23.295 0.3 1 434 152 48 ILE CG2 C 14.284 0.3 1 435 152 48 ILE N N 123.812 0.3 1 436 153 49 ASN H H 8.727 0.020 1 437 153 49 ASN HA H 4.740 0.020 1 438 153 49 ASN HB2 H 2.778 0.020 1 439 153 49 ASN HD21 H 6.672 0.020 1 440 153 49 ASN HD22 H 7.584 0.020 1 441 153 49 ASN C C 172.268 0.3 1 442 153 49 ASN CA C 50.628 0.3 1 443 153 49 ASN CB C 37.074 0.3 1 444 153 49 ASN CG C 176.922 0.3 1 445 153 49 ASN N N 119.411 0.3 1 446 153 49 ASN ND2 N 109.786 0.3 1 447 154 50 THR H H 7.384 0.020 1 448 154 50 THR HG2 H 0.996 0.020 1 449 154 50 THR C C 169.819 0.3 1 450 154 50 THR CA C 57.521 0.3 1 451 154 50 THR CB C 68.127 0.3 1 452 154 50 THR CG2 C 17.974 0.3 1 453 154 50 THR N N 111.621 0.3 1 454 155 51 GLY H H 8.207 0.020 1 455 155 51 GLY HA2 H 4.306 0.020 2 456 155 51 GLY HA3 H 3.998 0.020 2 457 155 51 GLY C C 170.557 0.3 1 458 155 51 GLY CA C 41.364 0.3 1 459 155 51 GLY N N 109.896 0.3 1 460 156 52 MET H H 8.181 0.020 1 461 156 52 MET HA H 4.360 0.020 1 462 156 52 MET HB2 H 2.406 0.020 1 463 156 52 MET HG2 H 1.829 0.020 1 464 156 52 MET C C 172.201 0.3 1 465 156 52 MET CA C 52.309 0.3 1 466 156 52 MET CB C 29.079 0.3 1 467 156 52 MET CG C 32.012 0.3 1 468 156 52 MET N N 119.106 0.3 1 469 157 53 ALA H H 7.904 0.020 1 470 157 53 ALA HA H 4.422 0.020 1 471 157 53 ALA HB H 0.836 0.020 1 472 157 53 ALA C C 173.643 0.3 1 473 157 53 ALA CA C 46.873 0.3 1 474 157 53 ALA CB C 19.466 0.3 1 475 157 53 ALA N N 126.941 0.3 1 476 158 54 ASP H H 7.962 0.020 1 477 158 54 ASP HA H 4.421 0.020 1 478 158 54 ASP HB2 H 2.869 0.020 1 479 158 54 ASP C C 174.181 0.3 1 480 158 54 ASP CA C 55.075 0.3 1 481 158 54 ASP CB C 38.363 0.3 1 482 158 54 ASP N N 121.373 0.3 1 483 159 55 ILE H H 8.785 0.020 1 484 159 55 ILE HA H 4.072 0.020 1 485 159 55 ILE HB H 1.759 0.020 1 486 159 55 ILE HD1 H 0.996 0.020 1 487 159 55 ILE HG12 H 1.379 0.020 2 488 159 55 ILE HG13 H 1.233 0.020 2 489 159 55 ILE HG2 H 0.824 0.020 1 490 159 55 ILE C C 170.451 0.3 1 491 159 55 ILE CA C 58.738 0.3 1 492 159 55 ILE CB C 37.326 0.3 1 493 159 55 ILE CD1 C 11.616 0.3 1 494 159 55 ILE CG1 C 23.524 0.3 1 495 159 55 ILE CG2 C 12.079 0.3 1 496 159 55 ILE N N 124.320 0.3 1 497 160 56 LEU H H 7.552 0.020 1 498 160 56 LEU HA H 4.965 0.020 1 499 160 56 LEU HB2 H 1.566 0.020 2 500 160 56 LEU HB3 H 1.328 0.020 2 501 160 56 LEU HD1 H 0.785 0.020 1 502 160 56 LEU HD2 H 1.012 0.020 1 503 160 56 LEU HG H 1.519 0.020 1 504 160 56 LEU C C 172.963 0.3 1 505 160 56 LEU CA C 50.569 0.3 1 506 160 56 LEU CB C 40.780 0.3 1 507 160 56 LEU CD1 C 21.751 0.3 1 508 160 56 LEU CD2 C 21.216 0.3 1 509 160 56 LEU CG C 24.390 0.3 1 510 160 56 LEU N N 129.919 0.3 1 511 161 57 VAL H H 8.712 0.020 1 512 161 57 VAL HA H 5.070 0.020 1 513 161 57 VAL HB H 2.064 0.020 1 514 161 57 VAL HG1 H 0.605 0.020 1 515 161 57 VAL HG2 H 0.852 0.020 1 516 161 57 VAL C C 172.353 0.3 1 517 161 57 VAL CA C 59.008 0.3 1 518 161 57 VAL CB C 29.830 0.3 1 519 161 57 VAL CG1 C 18.025 0.3 1 520 161 57 VAL CG2 C 17.393 0.3 1 521 161 57 VAL N N 125.516 0.3 1 522 162 58 VAL H H 8.713 0.020 1 523 162 58 VAL HA H 4.856 0.020 1 524 162 58 VAL HB H 1.601 0.020 1 525 162 58 VAL HG1 H 0.626 0.020 1 526 162 58 VAL HG2 H 0.791 0.020 1 527 162 58 VAL C C 171.925 0.3 1 528 162 58 VAL CA C 58.098 0.3 1 529 162 58 VAL CB C 34.171 0.3 1 530 162 58 VAL CG1 C 18.293 0.3 1 531 162 58 VAL CG2 C 17.999 0.3 1 532 162 58 VAL N N 126.808 0.3 1 533 163 59 PHE H H 8.296 0.020 1 534 163 59 PHE HA H 5.275 0.020 1 535 163 59 PHE HB2 H 2.981 0.020 2 536 163 59 PHE HB3 H 2.857 0.020 2 537 163 59 PHE C C 173.396 0.3 1 538 163 59 PHE CA C 54.085 0.3 1 539 163 59 PHE CB C 38.106 0.3 1 540 163 59 PHE N N 125.471 0.3 1 541 164 60 ALA H H 9.049 0.020 1 542 164 60 ALA HA H 4.754 0.020 1 543 164 60 ALA HB H 0.816 0.020 1 544 164 60 ALA C C 172.015 0.3 1 545 164 60 ALA CA C 48.363 0.3 1 546 164 60 ALA CB C 20.011 0.3 1 547 164 60 ALA N N 125.759 0.3 1 548 165 61 ARG H H 8.738 0.020 1 549 165 61 ARG HA H 5.156 0.020 1 550 165 61 ARG HB2 H 1.545 0.020 1 551 165 61 ARG HD2 H 3.165 0.020 1 552 165 61 ARG HG2 H 1.294 0.020 1 553 165 61 ARG C C 173.160 0.3 1 554 165 61 ARG CA C 51.021 0.3 1 555 165 61 ARG CB C 31.059 0.3 1 556 165 61 ARG CG C 25.953 0.3 1 557 165 61 ARG N N 118.113 0.3 1 558 166 62 GLY H H 9.407 0.020 1 559 166 62 GLY HA2 H 3.851 0.020 2 560 166 62 GLY HA3 H 3.657 0.020 2 561 166 62 GLY C C 173.050 0.3 1 562 166 62 GLY CA C 43.728 0.3 1 563 166 62 GLY N N 108.004 0.3 1 564 167 63 ALA H H 9.118 0.020 1 565 167 63 ALA HA H 4.239 0.020 1 566 167 63 ALA HB H 1.370 0.020 1 567 167 63 ALA C C 174.207 0.3 1 568 167 63 ALA CA C 50.239 0.3 1 569 167 63 ALA CB C 15.032 0.3 1 570 167 63 ALA N N 134.082 0.3 1 571 168 64 HIS H H 7.794 0.020 1 572 168 64 HIS HA H 4.702 0.020 1 573 168 64 HIS HB2 H 4.095 0.020 2 574 168 64 HIS HB3 H 3.377 0.020 2 575 168 64 HIS C C 173.480 0.3 1 576 168 64 HIS CA C 54.639 0.3 1 577 168 64 HIS N N 124.847 0.3 1 578 169 65 GLY H H 7.675 0.020 1 579 169 65 GLY HA2 H 3.713 0.020 2 580 169 65 GLY HA3 H 3.991 0.020 2 581 169 65 GLY C C 172.207 0.3 1 582 169 65 GLY CA C 42.867 0.3 1 583 169 65 GLY N N 108.634 0.3 1 584 170 66 ASP H H 7.949 0.020 1 585 170 66 ASP HA H 4.946 0.020 1 586 170 66 ASP HB2 H 2.786 0.020 2 587 170 66 ASP HB3 H 2.936 0.020 2 588 170 66 ASP C C 170.985 0.3 1 589 170 66 ASP CA C 59.227 0.3 1 590 170 66 ASP N N 126.858 0.3 1 591 171 67 ASP H H 7.980 0.020 1 592 171 67 ASP HA H 4.321 0.020 1 593 171 67 ASP HB2 H 2.952 0.020 1 594 171 67 ASP C C 172.107 0.3 1 595 171 67 ASP CA C 52.652 0.3 1 596 171 67 ASP CB C 37.206 0.3 1 597 171 67 ASP N N 120.204 0.3 1 598 172 68 HIS H H 7.446 0.020 1 599 172 68 HIS HA H 4.524 0.020 1 600 172 68 HIS HB2 H 2.020 0.020 2 601 172 68 HIS HB3 H 2.471 0.020 2 602 172 68 HIS HD2 H 6.444 0.020 1 603 172 68 HIS C C 169.937 0.3 1 604 172 68 HIS CA C 51.106 0.3 1 605 172 68 HIS CB C 27.631 0.3 1 606 172 68 HIS N N 119.701 0.3 1 607 173 69 ALA H H 7.940 0.020 1 608 173 69 ALA HA H 4.511 0.020 1 609 173 69 ALA HB H 1.189 0.020 1 610 173 69 ALA C C 177.582 0.3 1 611 173 69 ALA CA C 50.835 0.3 1 612 173 69 ALA CB C 15.391 0.3 1 613 173 69 ALA N N 123.252 0.3 1 614 174 70 PHE H H 7.920 0.020 1 615 174 70 PHE HA H 4.829 0.020 1 616 174 70 PHE HB2 H 4.168 0.020 2 617 174 70 PHE HB3 H 3.105 0.020 2 618 174 70 PHE C C 173.477 0.3 1 619 174 70 PHE CA C 54.140 0.3 1 620 174 70 PHE CB C 36.000 0.3 1 621 174 70 PHE N N 120.039 0.3 1 622 175 71 ASP H H 8.218 0.020 1 623 175 71 ASP HA H 4.825 0.020 1 624 175 71 ASP HB2 H 3.009 0.020 2 625 175 71 ASP HB3 H 2.476 0.020 2 626 175 71 ASP C C 174.565 0.3 1 627 175 71 ASP CA C 50.975 0.3 1 628 175 71 ASP CB C 38.918 0.3 1 629 175 71 ASP N N 116.247 0.3 1 630 176 72 GLY H H 8.792 0.020 1 631 176 72 GLY HA2 H 4.328 0.020 2 632 176 72 GLY HA3 H 4.169 0.020 2 633 176 72 GLY C C 170.435 0.3 1 634 176 72 GLY CA C 40.898 0.3 1 635 176 72 GLY N N 110.150 0.3 1 636 177 73 LYS H H 8.668 0.020 1 637 177 73 LYS HA H 3.469 0.020 1 638 177 73 LYS HB2 H 1.502 0.020 1 639 177 73 LYS HD2 H 1.522 0.020 1 640 177 73 LYS HE2 H 2.444 0.020 1 641 177 73 LYS HG2 H 1.468 0.020 2 642 177 73 LYS HG3 H 1.194 0.020 2 643 177 73 LYS C C 175.036 0.3 1 644 177 73 LYS CA C 55.642 0.3 1 645 177 73 LYS CB C 29.280 0.3 1 646 177 73 LYS CD C 26.270 0.3 1 647 177 73 LYS CE C 39.307 0.3 1 648 177 73 LYS CG C 21.871 0.3 1 649 177 73 LYS N N 124.041 0.3 1 650 178 74 GLY H H 10.689 0.020 1 651 178 74 GLY HA2 H 4.111 0.020 2 652 178 74 GLY HA3 H 3.382 0.020 2 653 178 74 GLY C C 171.413 0.3 1 654 178 74 GLY CA C 40.107 0.3 1 655 178 74 GLY N N 121.103 0.3 1 656 179 75 GLY H H 8.417 0.020 1 657 179 75 GLY HA2 H 3.920 0.020 2 658 179 75 GLY HA3 H 3.305 0.020 2 659 179 75 GLY C C 171.758 0.3 1 660 179 75 GLY CA C 43.631 0.3 1 661 179 75 GLY N N 110.629 0.3 1 662 180 76 ILE H H 10.567 0.020 1 663 180 76 ILE HA H 3.823 0.020 1 664 180 76 ILE HB H 2.011 0.020 1 665 180 76 ILE HD1 H 0.903 0.020 1 666 180 76 ILE HG12 H 1.628 0.020 2 667 180 76 ILE HG13 H 1.295 0.020 2 668 180 76 ILE HG2 H 1.164 0.020 1 669 180 76 ILE C C 174.175 0.3 1 670 180 76 ILE CA C 59.727 0.3 1 671 180 76 ILE CB C 35.314 0.3 1 672 180 76 ILE CD1 C 9.716 0.3 1 673 180 76 ILE CG1 C 25.325 0.3 1 674 180 76 ILE CG2 C 15.732 0.3 1 675 180 76 ILE N N 129.153 0.3 1 676 181 77 LEU H H 8.452 0.020 1 677 181 77 LEU HA H 4.374 0.020 1 678 181 77 LEU HB2 H 1.317 0.020 1 679 181 77 LEU HD1 H -0.036 0.020 1 680 181 77 LEU HD2 H 0.181 0.020 1 681 181 77 LEU HG H 1.599 0.020 1 682 181 77 LEU C C 173.288 0.3 1 683 181 77 LEU CA C 52.773 0.3 1 684 181 77 LEU CB C 41.185 0.3 1 685 181 77 LEU CD1 C 21.201 0.3 1 686 181 77 LEU CD2 C 18.824 0.3 1 687 181 77 LEU CG C 23.227 0.3 1 688 181 77 LEU N N 127.756 0.3 1 689 182 78 ALA H H 7.398 0.020 1 690 182 78 ALA HA H 4.778 0.020 1 691 182 78 ALA HB H 1.003 0.020 1 692 182 78 ALA C C 173.574 0.3 1 693 182 78 ALA CA C 48.606 0.3 1 694 182 78 ALA CB C 19.999 0.3 1 695 182 78 ALA N N 114.363 0.3 1 696 183 79 HIS H H 9.104 0.020 1 697 183 79 HIS HA H 4.757 0.020 1 698 183 79 HIS HB2 H 3.219 0.020 2 699 183 79 HIS HB3 H 3.023 0.020 2 700 183 79 HIS HD2 H 6.472 0.020 1 701 183 79 HIS HE1 H 8.032 0.020 1 702 183 79 HIS C C 168.551 0.3 1 703 183 79 HIS CA C 51.160 0.3 1 704 183 79 HIS CB C 28.092 0.3 1 705 183 79 HIS N N 113.788 0.3 1 706 184 80 ALA H H 8.589 0.020 1 707 184 80 ALA HA H 4.134 0.020 1 708 184 80 ALA HB H 1.156 0.020 1 709 184 80 ALA C C 177.150 0.3 1 710 184 80 ALA CA C 47.825 0.3 1 711 184 80 ALA CB C 16.133 0.3 1 712 184 80 ALA N N 122.807 0.3 1 713 185 81 PHE H H 11.910 0.020 1 714 185 81 PHE C C 172.848 0.3 1 715 185 81 PHE CA C 53.974 0.3 1 716 185 81 PHE CB C 38.590 0.3 1 717 185 81 PHE N N 131.380 0.3 1 718 186 82 GLY H H 8.163 0.020 1 719 186 82 GLY HA2 H 4.340 0.020 2 720 186 82 GLY HA3 H 4.215 0.020 2 721 186 82 GLY C C 168.147 0.3 1 722 186 82 GLY CA C 41.621 0.3 1 723 186 82 GLY N N 105.239 0.3 1 724 187 83 PRO HA H 4.258 0.020 1 725 187 83 PRO HB2 H 2.123 0.020 2 726 187 83 PRO HB3 H 1.711 0.020 2 727 187 83 PRO HD2 H 3.673 0.020 2 728 187 83 PRO HD3 H 3.490 0.020 2 729 187 83 PRO HG2 H 1.861 0.020 1 730 187 83 PRO C C 171.928 0.3 1 731 187 83 PRO CA C 61.327 0.3 1 732 187 83 PRO CB C 28.900 0.3 1 733 187 83 PRO CD C 47.677 0.3 1 734 187 83 PRO CG C 24.248 0.3 1 735 187 83 PRO N N 133.221 0.3 1 736 188 84 GLY H H 5.621 0.020 1 737 188 84 GLY HA2 H 4.040 0.020 2 738 188 84 GLY HA3 H 3.534 0.020 2 739 188 84 GLY C C 168.950 0.3 1 740 188 84 GLY CA C 41.277 0.3 1 741 188 84 GLY N N 106.878 0.3 1 742 189 85 SER H H 8.293 0.020 1 743 189 85 SER HA H 4.349 0.020 1 744 189 85 SER HB2 H 4.006 0.020 2 745 189 85 SER HB3 H 3.835 0.020 2 746 189 85 SER C C 173.297 0.3 1 747 189 85 SER CA C 55.943 0.3 1 748 189 85 SER CB C 61.644 0.3 1 749 189 85 SER N N 114.470 0.3 1 750 190 86 GLY H H 8.902 0.020 1 751 190 86 GLY HA2 H 3.894 0.020 2 752 190 86 GLY HA3 H 3.627 0.020 2 753 190 86 GLY C C 172.254 0.3 1 754 190 86 GLY CA C 44.259 0.3 1 755 190 86 GLY N N 112.395 0.3 1 756 191 87 ILE H H 8.938 0.020 1 757 191 87 ILE HA H 4.130 0.020 1 758 191 87 ILE HB H 1.370 0.020 1 759 191 87 ILE HD1 H 0.324 0.020 1 760 191 87 ILE HG12 H 0.875 0.020 2 761 191 87 ILE HG13 H 0.429 0.020 2 762 191 87 ILE HG2 H 0.359 0.020 1 763 191 87 ILE C C 171.613 0.3 1 764 191 87 ILE CA C 59.100 0.3 1 765 191 87 ILE CB C 35.347 0.3 1 766 191 87 ILE CD1 C 11.492 0.3 1 767 191 87 ILE CG1 C 25.333 0.3 1 768 191 87 ILE CG2 C 13.428 0.3 1 769 191 87 ILE N N 134.118 0.3 1 770 192 88 GLY H H 7.576 0.020 1 771 192 88 GLY HA2 H 3.665 0.020 2 772 192 88 GLY HA3 H 2.959 0.020 2 773 192 88 GLY C C 171.663 0.3 1 774 192 88 GLY CA C 43.885 0.3 1 775 192 88 GLY N N 106.059 0.3 1 776 193 89 GLY H H 7.783 0.020 1 777 193 89 GLY HA2 H 4.071 0.020 2 778 193 89 GLY HA3 H 3.665 0.020 2 779 193 89 GLY C C 169.466 0.3 1 780 193 89 GLY CA C 43.776 0.3 1 781 193 89 GLY N N 119.477 0.3 1 782 194 90 ASP H H 8.265 0.020 1 783 194 90 ASP HA H 4.085 0.020 1 784 194 90 ASP HB2 H 2.888 0.020 1 785 194 90 ASP C C 170.711 0.3 1 786 194 90 ASP CA C 53.741 0.3 1 787 194 90 ASP CB C 36.867 0.3 1 788 194 90 ASP N N 122.517 0.3 1 789 195 91 ALA H H 8.581 0.020 1 790 195 91 ALA HA H 4.600 0.020 1 791 195 91 ALA HB H 0.905 0.020 1 792 195 91 ALA C C 171.694 0.3 1 793 195 91 ALA CA C 48.137 0.3 1 794 195 91 ALA CB C 18.087 0.3 1 795 195 91 ALA N N 119.865 0.3 1 796 196 92 HIS H H 9.018 0.020 1 797 196 92 HIS HA H 5.695 0.020 1 798 196 92 HIS HB2 H 3.048 0.020 2 799 196 92 HIS HB3 H 2.356 0.020 2 800 196 92 HIS HD2 H 6.899 0.020 1 801 196 92 HIS HE1 H 9.175 0.020 1 802 196 92 HIS C C 169.965 0.3 1 803 196 92 HIS CA C 48.022 0.3 1 804 196 92 HIS CB C 31.092 0.3 1 805 196 92 HIS N N 121.186 0.3 1 806 197 93 PHE H H 8.971 0.020 1 807 197 93 PHE HA H 4.186 0.020 1 808 197 93 PHE HB2 H 2.053 0.020 1 809 197 93 PHE C C 170.893 0.3 1 810 197 93 PHE CA C 54.121 0.3 1 811 197 93 PHE CB C 38.434 0.3 1 812 197 93 PHE N N 122.387 0.3 1 813 198 94 ASP H H 7.912 0.020 1 814 198 94 ASP HA H 4.086 0.020 1 815 198 94 ASP C C 173.832 0.3 1 816 198 94 ASP CA C 55.648 0.3 1 817 198 94 ASP N N 120.718 0.3 1 818 199 95 GLU H H 8.007 0.020 1 819 199 95 GLU HA H 4.784 0.020 1 820 199 95 GLU HB2 H 1.986 0.020 2 821 199 95 GLU HB3 H 1.850 0.020 2 822 199 95 GLU HG2 H 2.208 0.020 2 823 199 95 GLU HG3 H 2.097 0.020 2 824 199 95 GLU C C 173.234 0.3 1 825 199 95 GLU CB C 26.431 0.3 1 826 199 95 GLU N N 120.958 0.3 1 827 200 96 ASP H H 8.161 0.020 1 828 200 96 ASP HA H 4.149 0.020 1 829 200 96 ASP HB2 H 2.702 0.020 2 830 200 96 ASP HB3 H 2.588 0.020 2 831 200 96 ASP C C 176.687 0.3 1 832 200 96 ASP CA C 51.205 0.3 1 833 200 96 ASP CB C 37.657 0.3 1 834 200 96 ASP N N 122.597 0.3 1 835 201 97 GLU H H 9.391 0.020 1 836 201 97 GLU HA H 4.349 0.020 1 837 201 97 GLU HB2 H 1.678 0.020 1 838 201 97 GLU HG2 H 2.505 0.020 1 839 201 97 GLU C C 173.785 0.3 1 840 201 97 GLU CA C 53.325 0.3 1 841 201 97 GLU CB C 28.562 0.3 1 842 201 97 GLU CD C 180.485 0.3 1 843 201 97 GLU CG C 32.661 0.3 1 844 201 97 GLU N N 130.480 0.3 1 845 202 98 PHE H H 8.983 0.020 1 846 202 98 PHE HA H 4.688 0.020 1 847 202 98 PHE HB2 H 2.451 0.020 1 848 202 98 PHE C C 174.583 0.3 1 849 202 98 PHE CA C 53.991 0.3 1 850 202 98 PHE CB C 36.429 0.3 1 851 202 98 PHE N N 119.210 0.3 1 852 203 99 TRP H H 7.319 0.020 1 853 203 99 TRP HA H 4.309 0.020 1 854 203 99 TRP HB2 H 2.477 0.020 2 855 203 99 TRP HB3 H 1.777 0.020 2 856 203 99 TRP HE1 H 10.109 0.020 1 857 203 99 TRP HE3 H 7.123 0.020 1 858 203 99 TRP C C 172.106 0.3 1 859 203 99 TRP CA C 50.853 0.3 1 860 203 99 TRP CB C 23.024 0.3 1 861 203 99 TRP N N 116.741 0.3 1 862 203 99 TRP NE1 N 126.897 0.3 1 863 204 100 THR H H 8.338 0.020 1 864 204 100 THR HA H 4.807 0.020 1 865 204 100 THR HB H 4.432 0.020 1 866 204 100 THR HG2 H 0.939 0.020 1 867 204 100 THR C C 172.185 0.3 1 868 204 100 THR CA C 52.624 0.3 1 869 204 100 THR CG2 C 17.802 0.3 1 870 204 100 THR N N 126.210 0.3 1 871 205 101 THR H H 7.908 0.020 1 872 205 101 THR HA H 4.544 0.020 1 873 205 101 THR HB H 4.262 0.020 1 874 205 101 THR HG2 H 0.434 0.020 1 875 205 101 THR C C 171.412 0.3 1 876 205 101 THR N N 122.666 0.3 1 877 206 102 HIS H H 7.498 0.020 1 878 206 102 HIS HA H 4.712 0.020 1 879 206 102 HIS HB2 H 3.136 0.020 2 880 206 102 HIS HB3 H 2.697 0.020 2 881 206 102 HIS C C 173.225 0.3 1 882 206 102 HIS CA C 50.934 0.3 1 883 206 102 HIS CB C 28.205 0.3 1 884 206 102 HIS N N 120.547 0.3 1 885 207 103 SER H H 6.877 0.020 1 886 207 103 SER HA H 4.026 0.020 1 887 207 103 SER HB2 H 3.078 0.020 1 888 207 103 SER C C 173.130 0.3 1 889 207 103 SER CA C 52.091 0.3 1 890 207 103 SER CB C 60.760 0.3 1 891 207 103 SER N N 115.418 0.3 1 892 208 104 GLY H H 9.473 0.020 1 893 208 104 GLY HA2 H 4.005 0.020 2 894 208 104 GLY HA3 H 3.714 0.020 2 895 208 104 GLY C C 170.841 0.3 1 896 208 104 GLY CA C 42.184 0.3 1 897 208 104 GLY N N 115.132 0.3 1 898 209 105 GLY H H 7.801 0.020 1 899 209 105 GLY HA2 H 3.914 0.020 2 900 209 105 GLY HA3 H 3.829 0.020 2 901 209 105 GLY C C 170.977 0.3 1 902 209 105 GLY CA C 43.136 0.3 1 903 209 105 GLY N N 108.270 0.3 1 904 210 106 THR H H 9.101 0.020 1 905 210 106 THR HA H 3.581 0.020 1 906 210 106 THR HB H 2.355 0.020 1 907 210 106 THR HG2 H 0.203 0.020 1 908 210 106 THR C C 169.737 0.3 1 909 210 106 THR CA C 59.841 0.3 1 910 210 106 THR CB C 65.705 0.3 1 911 210 106 THR CG2 C 21.791 0.3 1 912 210 106 THR N N 124.763 0.3 1 913 211 107 ASN H H 8.498 0.020 1 914 211 107 ASN HA H 4.715 0.020 1 915 211 107 ASN HB2 H 3.046 0.020 2 916 211 107 ASN HB3 H 3.006 0.020 2 917 211 107 ASN HD21 H 7.930 0.020 1 918 211 107 ASN HD22 H 6.255 0.020 1 919 211 107 ASN C C 173.528 0.3 1 920 211 107 ASN CA C 52.769 0.3 1 921 211 107 ASN CB C 38.909 0.3 1 922 211 107 ASN N N 125.523 0.3 1 923 211 107 ASN ND2 N 111.286 0.3 1 924 212 108 LEU H H 8.410 0.020 1 925 212 108 LEU HA H 4.315 0.020 1 926 212 108 LEU HB2 H 1.657 0.020 2 927 212 108 LEU HB3 H 1.403 0.020 2 928 212 108 LEU HD1 H 0.650 0.020 1 929 212 108 LEU HD2 H -0.330 0.020 1 930 212 108 LEU HG H 0.968 0.020 1 931 212 108 LEU C C 173.484 0.3 1 932 212 108 LEU CA C 55.908 0.3 1 933 212 108 LEU CB C 38.199 0.3 1 934 212 108 LEU CD1 C 24.797 0.3 1 935 212 108 LEU CD2 C 19.105 0.3 1 936 212 108 LEU CG C 25.050 0.3 1 937 212 108 LEU N N 131.606 0.3 1 938 213 109 PHE H H 9.128 0.020 1 939 213 109 PHE HA H 3.795 0.020 1 940 213 109 PHE HB2 H 3.315 0.020 2 941 213 109 PHE HB3 H 3.035 0.020 2 942 213 109 PHE HD1 H 6.555 0.020 3 943 213 109 PHE HD2 H 6.836 0.020 3 944 213 109 PHE HE1 H 7.171 0.020 1 945 213 109 PHE C C 172.747 0.3 1 946 213 109 PHE CA C 58.876 0.3 1 947 213 109 PHE CB C 34.896 0.3 1 948 213 109 PHE N N 119.852 0.3 1 949 214 110 LEU H H 8.738 0.020 1 950 214 110 LEU HA H 3.035 0.020 1 951 214 110 LEU HB2 H 1.682 0.020 2 952 214 110 LEU HB3 H 1.448 0.020 2 953 214 110 LEU HD1 H 0.421 0.020 1 954 214 110 LEU HD2 H 0.691 0.020 1 955 214 110 LEU HG H 0.920 0.020 1 956 214 110 LEU C C 176.089 0.3 1 957 214 110 LEU CA C 55.112 0.3 1 958 214 110 LEU CB C 40.146 0.3 1 959 214 110 LEU CD1 C 20.856 0.3 1 960 214 110 LEU CD2 C 22.983 0.3 1 961 214 110 LEU CG C 23.361 0.3 1 962 214 110 LEU N N 117.948 0.3 1 963 215 111 THR H H 7.283 0.020 1 964 215 111 THR HA H 4.021 0.020 1 965 215 111 THR HB H 4.223 0.020 1 966 215 111 THR HG2 H 1.254 0.020 1 967 215 111 THR C C 173.916 0.3 1 968 215 111 THR CA C 63.870 0.3 1 969 215 111 THR CB C 65.404 0.3 1 970 215 111 THR CG2 C 19.492 0.3 1 971 215 111 THR N N 112.535 0.3 1 972 216 112 ALA H H 9.132 0.020 1 973 216 112 ALA HA H 3.989 0.020 1 974 216 112 ALA HB H 0.953 0.020 1 975 216 112 ALA C C 175.911 0.3 1 976 216 112 ALA CA C 52.335 0.3 1 977 216 112 ALA CB C 14.414 0.3 1 978 216 112 ALA N N 123.596 0.3 1 979 217 113 VAL H H 8.248 0.020 1 980 217 113 VAL HA H 3.083 0.020 1 981 217 113 VAL HB H 1.602 0.020 1 982 217 113 VAL HG1 H 0.587 0.020 1 983 217 113 VAL HG2 H 0.012 0.020 1 984 217 113 VAL C C 175.735 0.3 1 985 217 113 VAL CA C 65.574 0.3 1 986 217 113 VAL CB C 28.258 0.3 1 987 217 113 VAL CG1 C 21.065 0.3 1 988 217 113 VAL CG2 C 20.408 0.3 1 989 217 113 VAL N N 118.495 0.3 1 990 218 114 HIS H H 6.874 0.020 1 991 218 114 HIS HA H 4.244 0.020 1 992 218 114 HIS HB2 H 3.788 0.020 2 993 218 114 HIS HB3 H 2.982 0.020 2 994 218 114 HIS C C 172.670 0.3 1 995 218 114 HIS CA C 56.080 0.3 1 996 218 114 HIS CB C 26.379 0.3 1 997 218 114 HIS N N 117.899 0.3 1 998 219 115 ALA H H 8.639 0.020 1 999 219 115 ALA HA H 4.017 0.020 1 1000 219 115 ALA HB H 1.060 0.020 1 1001 219 115 ALA C C 176.179 0.3 1 1002 219 115 ALA CA C 53.084 0.3 1 1003 219 115 ALA CB C 15.398 0.3 1 1004 219 115 ALA N N 120.337 0.3 1 1005 220 116 ILE H H 8.806 0.020 1 1006 220 116 ILE HA H 3.432 0.020 1 1007 220 116 ILE HB H 1.284 0.020 1 1008 220 116 ILE HD1 H -0.609 0.020 1 1009 220 116 ILE HG12 H 0.943 0.020 2 1010 220 116 ILE HG13 H 0.184 0.020 2 1011 220 116 ILE HG2 H 0.064 0.020 1 1012 220 116 ILE C C 174.612 0.3 1 1013 220 116 ILE CA C 60.522 0.3 1 1014 220 116 ILE CB C 34.496 0.3 1 1015 220 116 ILE CD1 C 9.301 0.3 1 1016 220 116 ILE CG1 C 26.482 0.3 1 1017 220 116 ILE CG2 C 16.179 0.3 1 1018 220 116 ILE N N 115.625 0.3 1 1019 221 117 GLY H H 7.604 0.020 1 1020 221 117 GLY HA2 H 3.768 0.020 2 1021 221 117 GLY HA3 H 2.234 0.020 2 1022 221 117 GLY C C 174.779 0.3 1 1023 221 117 GLY CA C 45.442 0.3 1 1024 221 117 GLY N N 108.980 0.3 1 1025 222 118 HIS H H 7.123 0.020 1 1026 222 118 HIS HA H 4.677 0.020 1 1027 222 118 HIS HB2 H 3.627 0.020 2 1028 222 118 HIS HB3 H 2.353 0.020 2 1029 222 118 HIS HD2 H 6.589 0.020 1 1030 222 118 HIS HE1 H 8.373 0.020 1 1031 222 118 HIS C C 178.098 0.3 1 1032 222 118 HIS CA C 54.974 0.3 1 1033 222 118 HIS CB C 25.289 0.3 1 1034 222 118 HIS N N 119.129 0.3 1 1035 223 119 SER H H 8.593 0.020 1 1036 223 119 SER HA H 4.165 0.020 1 1037 223 119 SER HB2 H 3.401 0.020 1 1038 223 119 SER C C 173.050 0.3 1 1039 223 119 SER CA C 60.246 0.3 1 1040 223 119 SER CB C 60.549 0.3 1 1041 223 119 SER N N 122.583 0.3 1 1042 224 120 LEU H H 7.639 0.020 1 1043 224 120 LEU HA H 4.224 0.020 1 1044 224 120 LEU HB2 H 1.264 0.020 1 1045 224 120 LEU HD1 H 0.206 0.020 1 1046 224 120 LEU HD2 H 0.732 0.020 1 1047 224 120 LEU HG H 1.915 0.020 1 1048 224 120 LEU C C 175.220 0.3 1 1049 224 120 LEU CA C 52.096 0.3 1 1050 224 120 LEU CB C 39.402 0.3 1 1051 224 120 LEU CD1 C 22.000 0.3 1 1052 224 120 LEU CD2 C 19.032 0.3 1 1053 224 120 LEU CG C 23.209 0.3 1 1054 224 120 LEU N N 113.750 0.3 1 1055 225 121 GLY H H 8.146 0.020 1 1056 225 121 GLY HA2 H 4.063 0.020 2 1057 225 121 GLY HA3 H 3.312 0.020 2 1058 225 121 GLY C C 171.493 0.3 1 1059 225 121 GLY CA C 41.547 0.3 1 1060 225 121 GLY N N 106.953 0.3 1 1061 226 122 LEU H H 8.289 0.020 1 1062 226 122 LEU HA H 4.398 0.020 1 1063 226 122 LEU HB2 H 1.402 0.020 2 1064 226 122 LEU HB3 H 1.084 0.020 2 1065 226 122 LEU HD1 H 0.611 0.020 1 1066 226 122 LEU HD2 H 0.584 0.020 1 1067 226 122 LEU HG H 1.250 0.020 1 1068 226 122 LEU C C 174.906 0.3 1 1069 226 122 LEU CA C 52.311 0.3 1 1070 226 122 LEU CB C 39.562 0.3 1 1071 226 122 LEU CD1 C 22.163 0.3 1 1072 226 122 LEU CD2 C 20.325 0.3 1 1073 226 122 LEU CG C 23.564 0.3 1 1074 226 122 LEU N N 120.575 0.3 1 1075 227 123 GLY H H 8.271 0.020 1 1076 227 123 GLY HA2 H 4.316 0.020 2 1077 227 123 GLY HA3 H 3.511 0.020 2 1078 227 123 GLY C C 170.905 0.3 1 1079 227 123 GLY CA C 40.113 0.3 1 1080 227 123 GLY N N 109.690 0.3 1 1081 228 124 HIS H H 8.353 0.020 1 1082 228 124 HIS HA H 4.953 0.020 1 1083 228 124 HIS HB2 H 2.951 0.020 2 1084 228 124 HIS HB3 H 2.803 0.020 2 1085 228 124 HIS C C 172.617 0.3 1 1086 228 124 HIS CA C 52.444 0.3 1 1087 228 124 HIS CB C 26.770 0.3 1 1088 228 124 HIS N N 115.595 0.3 1 1089 229 125 SER H H 6.729 0.020 1 1090 229 125 SER HA H 4.709 0.020 1 1091 229 125 SER HB2 H 4.260 0.020 2 1092 229 125 SER HB3 H 3.362 0.020 2 1093 229 125 SER C C 172.660 0.3 1 1094 229 125 SER CA C 52.441 0.3 1 1095 229 125 SER CB C 62.609 0.3 1 1096 229 125 SER N N 113.754 0.3 1 1097 230 126 SER H H 8.764 0.020 1 1098 230 126 SER HA H 4.657 0.020 1 1099 230 126 SER HB2 H 4.093 0.020 2 1100 230 126 SER HB3 H 3.839 0.020 2 1101 230 126 SER C C 170.638 0.3 1 1102 230 126 SER CA C 55.809 0.3 1 1103 230 126 SER CB C 61.315 0.3 1 1104 230 126 SER N N 120.056 0.3 1 1105 231 127 ASP H H 8.848 0.020 1 1106 231 127 ASP HA H 4.620 0.020 1 1107 231 127 ASP HB2 H 2.911 0.020 2 1108 231 127 ASP HB3 H 2.316 0.020 2 1109 231 127 ASP C C 171.040 0.3 1 1110 231 127 ASP CA C 48.143 0.3 1 1111 231 127 ASP CB C 39.163 0.3 1 1112 231 127 ASP N N 126.571 0.3 1 1113 232 128 PRO HA H 2.464 0.020 1 1114 232 128 PRO HB2 H 1.713 0.020 2 1115 232 128 PRO HB3 H 1.385 0.020 2 1116 232 128 PRO HD2 H 3.932 0.020 2 1117 232 128 PRO HD3 H 3.625 0.020 2 1118 232 128 PRO HG2 H 1.609 0.020 2 1119 232 128 PRO HG3 H 1.493 0.020 2 1120 232 128 PRO C C 175.042 0.3 1 1121 232 128 PRO CA C 60.153 0.3 1 1122 232 128 PRO CB C 29.100 0.3 1 1123 232 128 PRO CD C 47.953 0.3 1 1124 232 128 PRO CG C 24.210 0.3 1 1125 232 128 PRO N N 136.982 0.3 1 1126 233 129 LYS H H 8.151 0.020 1 1127 233 129 LYS HA H 4.002 0.020 1 1128 233 129 LYS HB2 H 1.689 0.020 1 1129 233 129 LYS HD2 H 2.465 0.020 2 1130 233 129 LYS HD3 H 1.562 0.020 2 1131 233 129 LYS HE2 H 2.882 0.020 1 1132 233 129 LYS HG2 H 1.384 0.020 2 1133 233 129 LYS HG3 H 1.254 0.020 2 1134 233 129 LYS C C 174.023 0.3 1 1135 233 129 LYS CA C 53.460 0.3 1 1136 233 129 LYS CB C 29.213 0.3 1 1137 233 129 LYS CD C 26.216 0.3 1 1138 233 129 LYS CE C 39.711 0.3 1 1139 233 129 LYS CG C 21.943 0.3 1 1140 233 129 LYS N N 116.552 0.3 1 1141 234 130 ALA H H 8.124 0.020 1 1142 234 130 ALA HA H 4.459 0.020 1 1143 234 130 ALA HB H 1.691 0.020 1 1144 234 130 ALA C C 176.866 0.3 1 1145 234 130 ALA CA C 48.997 0.3 1 1146 234 130 ALA CB C 17.019 0.3 1 1147 234 130 ALA N N 123.681 0.3 1 1148 235 131 VAL H H 11.387 0.020 1 1149 235 131 VAL HA H 4.291 0.020 1 1150 235 131 VAL HB H 2.381 0.020 1 1151 235 131 VAL HG1 H 1.121 0.020 1 1152 235 131 VAL HG2 H 0.934 0.020 1 1153 235 131 VAL C C 176.244 0.3 1 1154 235 131 VAL CA C 61.992 0.3 1 1155 235 131 VAL CB C 28.285 0.3 1 1156 235 131 VAL CG1 C 20.531 0.3 1 1157 235 131 VAL CG2 C 17.863 0.3 1 1158 235 131 VAL N N 130.727 0.3 1 1159 236 132 MET H H 7.541 0.020 1 1160 236 132 MET HA H 4.497 0.020 1 1161 236 132 MET HB2 H 2.565 0.020 2 1162 236 132 MET HB3 H 1.692 0.020 2 1163 236 132 MET HE H 0.364 0.020 1 1164 236 132 MET C C 174.389 0.3 1 1165 236 132 MET CA C 50.715 0.3 1 1166 236 132 MET CB C 24.407 0.3 1 1167 236 132 MET N N 115.300 0.3 1 1168 237 133 PHE H H 7.992 0.020 1 1169 237 133 PHE HA H 4.854 0.020 1 1170 237 133 PHE HB2 H 3.537 0.020 2 1171 237 133 PHE HB3 H 3.097 0.020 2 1172 237 133 PHE C C 174.562 0.3 1 1173 237 133 PHE CA C 53.846 0.3 1 1174 237 133 PHE CB C 37.639 0.3 1 1175 237 133 PHE N N 128.151 0.3 1 1176 238 134 PRO HA H 3.745 0.020 1 1177 238 134 PRO HB2 H 1.924 0.020 1 1178 238 134 PRO C C 171.414 0.3 1 1179 238 134 PRO CA C 60.989 0.3 1 1180 238 134 PRO CB C 24.689 0.3 1 1181 238 134 PRO N N 139.453 0.3 1 1182 239 135 THR H H 7.884 0.020 1 1183 239 135 THR HA H 4.538 0.020 1 1184 239 135 THR HB H 3.959 0.020 1 1185 239 135 THR HG2 H 1.130 0.020 1 1186 239 135 THR C C 170.456 0.3 1 1187 239 135 THR CA C 59.162 0.3 1 1188 239 135 THR CB C 69.073 0.3 1 1189 239 135 THR CG2 C 19.149 0.3 1 1190 239 135 THR N N 116.478 0.3 1 1191 240 136 TYR H H 8.973 0.020 1 1192 240 136 TYR HA H 4.567 0.020 1 1193 240 136 TYR HB2 H 2.640 0.020 2 1194 240 136 TYR HB3 H 2.170 0.020 2 1195 240 136 TYR C C 171.319 0.3 1 1196 240 136 TYR CA C 56.066 0.3 1 1197 240 136 TYR CB C 36.108 0.3 1 1198 240 136 TYR N N 127.452 0.3 1 1199 241 137 LYS H H 7.841 0.020 1 1200 241 137 LYS HA H 3.900 0.020 1 1201 241 137 LYS HB2 H 1.472 0.020 2 1202 241 137 LYS HB3 H 1.545 0.020 2 1203 241 137 LYS HD2 H 1.491 0.020 1 1204 241 137 LYS HE2 H 2.801 0.020 1 1205 241 137 LYS HG2 H 1.130 0.020 1 1206 241 137 LYS C C 170.759 0.3 1 1207 241 137 LYS CA C 52.617 0.3 1 1208 241 137 LYS CB C 31.697 0.3 1 1209 241 137 LYS CD C 26.187 0.3 1 1210 241 137 LYS CE C 39.436 0.3 1 1211 241 137 LYS CG C 21.203 0.3 1 1212 241 137 LYS N N 129.709 0.3 1 1213 242 138 TYR H H 8.500 0.020 1 1214 242 138 TYR HA H 3.647 0.020 1 1215 242 138 TYR HB2 H 2.923 0.020 2 1216 242 138 TYR HB3 H 2.605 0.020 2 1217 242 138 TYR C C 172.175 0.3 1 1218 242 138 TYR CA C 58.346 0.3 1 1219 242 138 TYR CB C 35.556 0.3 1 1220 242 138 TYR N N 123.949 0.3 1 1221 243 139 VAL H H 5.727 0.020 1 1222 243 139 VAL HA H 3.789 0.020 1 1223 243 139 VAL HB H 1.754 0.020 1 1224 243 139 VAL HG1 H 0.729 0.020 1 1225 243 139 VAL HG2 H 0.675 0.020 1 1226 243 139 VAL C C 169.317 0.3 1 1227 243 139 VAL CA C 56.548 0.3 1 1228 243 139 VAL CB C 32.316 0.3 1 1229 243 139 VAL CG1 C 18.263 0.3 1 1230 243 139 VAL CG2 C 16.492 0.3 1 1231 243 139 VAL N N 124.190 0.3 1 1232 244 140 ASP H H 7.794 0.020 1 1233 244 140 ASP HA H 4.139 0.020 1 1234 244 140 ASP HB2 H 2.912 0.020 2 1235 244 140 ASP HB3 H 2.627 0.020 2 1236 244 140 ASP C C 176.195 0.3 1 1237 244 140 ASP CA C 52.171 0.3 1 1238 244 140 ASP CB C 39.220 0.3 1 1239 244 140 ASP N N 119.172 0.3 1 1240 245 141 ILE H H 7.777 0.020 1 1241 245 141 ILE HA H 3.703 0.020 1 1242 245 141 ILE HB H 1.768 0.020 1 1243 245 141 ILE HD1 H 0.598 0.020 1 1244 245 141 ILE HG12 H 1.051 0.020 1 1245 245 141 ILE HG2 H 0.923 0.020 1 1246 245 141 ILE C C 174.349 0.3 1 1247 245 141 ILE CA C 61.865 0.3 1 1248 245 141 ILE CB C 34.827 0.3 1 1249 245 141 ILE CD1 C 10.725 0.3 1 1250 245 141 ILE CG1 C 24.352 0.3 1 1251 245 141 ILE CG2 C 14.761 0.3 1 1252 245 141 ILE N N 124.692 0.3 1 1253 246 142 ASN H H 8.452 0.020 1 1254 246 142 ASN HA H 4.443 0.020 1 1255 246 142 ASN HB2 H 2.819 0.020 2 1256 246 142 ASN HB3 H 2.682 0.020 2 1257 246 142 ASN HD21 H 6.956 0.020 1 1258 246 142 ASN HD22 H 7.904 0.020 1 1259 246 142 ASN C C 173.703 0.3 1 1260 246 142 ASN CA C 52.678 0.3 1 1261 246 142 ASN CB C 35.677 0.3 1 1262 246 142 ASN N N 118.248 0.3 1 1263 246 142 ASN ND2 N 115.129 0.3 1 1264 247 143 THR H H 7.545 0.020 1 1265 247 143 THR HA H 4.281 0.020 1 1266 247 143 THR HB H 4.232 0.020 1 1267 247 143 THR HG2 H 0.999 0.020 1 1268 247 143 THR C C 171.121 0.3 1 1269 247 143 THR CA C 58.367 0.3 1 1270 247 143 THR CB C 66.707 0.3 1 1271 247 143 THR CG2 C 18.570 0.3 1 1272 247 143 THR N N 109.500 0.3 1 1273 248 144 PHE H H 7.162 0.020 1 1274 248 144 PHE HA H 4.010 0.020 1 1275 248 144 PHE HB2 H 2.962 0.020 2 1276 248 144 PHE HB3 H 2.772 0.020 2 1277 248 144 PHE C C 171.789 0.3 1 1278 248 144 PHE CA C 57.134 0.3 1 1279 248 144 PHE CB C 36.701 0.3 1 1280 248 144 PHE N N 123.197 0.3 1 1281 249 145 ARG H H 7.112 0.020 1 1282 249 145 ARG HA H 3.872 0.020 1 1283 249 145 ARG HB2 H 1.542 0.020 2 1284 249 145 ARG HB3 H 1.309 0.020 2 1285 249 145 ARG HD2 H 3.032 0.020 2 1286 249 145 ARG HD3 H 2.931 0.020 2 1287 249 145 ARG HG2 H 1.360 0.020 2 1288 249 145 ARG HG3 H 1.290 0.020 2 1289 249 145 ARG C C 171.975 0.3 1 1290 249 145 ARG CA C 51.352 0.3 1 1291 249 145 ARG CB C 30.566 0.3 1 1292 249 145 ARG CD C 40.602 0.3 1 1293 249 145 ARG CG C 22.997 0.3 1 1294 249 145 ARG N N 126.185 0.3 1 1295 250 146 LEU H H 8.071 0.020 1 1296 250 146 LEU HA H 3.882 0.020 1 1297 250 146 LEU HB2 H 1.368 0.020 1 1298 250 146 LEU HD1 H 1.166 0.020 1 1299 250 146 LEU HD2 H 0.620 0.020 1 1300 250 146 LEU HG H 1.320 0.020 1 1301 250 146 LEU C C 174.323 0.3 1 1302 250 146 LEU CA C 51.999 0.3 1 1303 250 146 LEU CB C 40.376 0.3 1 1304 250 146 LEU CD1 C 28.215 0.3 1 1305 250 146 LEU CD2 C 24.082 0.3 1 1306 250 146 LEU CG C 28.996 0.3 1 1307 250 146 LEU N N 121.116 0.3 1 1308 251 147 SER H H 8.822 0.020 1 1309 251 147 SER HA H 4.418 0.020 1 1310 251 147 SER HB2 H 4.099 0.020 2 1311 251 147 SER HB3 H 3.777 0.020 2 1312 251 147 SER C C 172.270 0.3 1 1313 251 147 SER CA C 54.845 0.3 1 1314 251 147 SER CB C 63.168 0.3 1 1315 251 147 SER N N 117.994 0.3 1 1316 252 148 ALA H H 8.770 0.020 1 1317 252 148 ALA HA H 3.957 0.020 1 1318 252 148 ALA HB H 1.348 0.020 1 1319 252 148 ALA C C 177.381 0.3 1 1320 252 148 ALA CA C 52.787 0.3 1 1321 252 148 ALA CB C 14.997 0.3 1 1322 252 148 ALA N N 123.484 0.3 1 1323 253 149 ASP H H 8.180 0.020 1 1324 253 149 ASP HA H 4.222 0.020 1 1325 253 149 ASP HB2 H 2.719 0.020 2 1326 253 149 ASP HB3 H 2.395 0.020 2 1327 253 149 ASP C C 175.908 0.3 1 1328 253 149 ASP CA C 55.509 0.3 1 1329 253 149 ASP CB C 41.001 0.3 1 1330 253 149 ASP N N 117.544 0.3 1 1331 254 150 ASP H H 7.384 0.020 1 1332 254 150 ASP HA H 4.697 0.020 1 1333 254 150 ASP HB2 H 2.976 0.020 2 1334 254 150 ASP HB3 H 2.722 0.020 2 1335 254 150 ASP C C 175.040 0.3 1 1336 254 150 ASP CA C 54.950 0.3 1 1337 254 150 ASP CB C 41.541 0.3 1 1338 254 150 ASP N N 118.753 0.3 1 1339 255 151 ILE H H 7.888 0.020 1 1340 255 151 ILE HA H 3.539 0.020 1 1341 255 151 ILE HB H 1.620 0.020 1 1342 255 151 ILE HD1 H 0.648 0.020 1 1343 255 151 ILE HG12 H 1.670 0.020 2 1344 255 151 ILE HG13 H 0.796 0.020 2 1345 255 151 ILE HG2 H 0.759 0.020 1 1346 255 151 ILE C C 174.834 0.3 1 1347 255 151 ILE CA C 63.079 0.3 1 1348 255 151 ILE CB C 35.565 0.3 1 1349 255 151 ILE CD1 C 10.325 0.3 1 1350 255 151 ILE CG1 C 28.010 0.3 1 1351 255 151 ILE CG2 C 14.021 0.3 1 1352 255 151 ILE N N 118.900 0.3 1 1353 256 152 ARG H H 8.484 0.020 1 1354 256 152 ARG HA H 3.991 0.020 1 1355 256 152 ARG HB2 H 1.850 0.020 2 1356 256 152 ARG HB3 H 1.792 0.020 2 1357 256 152 ARG HD2 H 3.124 0.020 1 1358 256 152 ARG HG2 H 1.650 0.020 2 1359 256 152 ARG HG3 H 1.496 0.020 2 1360 256 152 ARG C C 177.870 0.3 1 1361 256 152 ARG CA C 56.494 0.3 1 1362 256 152 ARG CB C 27.236 0.3 1 1363 256 152 ARG CD C 40.569 0.3 1 1364 256 152 ARG CG C 24.380 0.3 1 1365 256 152 ARG N N 119.130 0.3 1 1366 257 153 GLY H H 8.269 0.020 1 1367 257 153 GLY HA2 H 3.868 0.020 2 1368 257 153 GLY HA3 H 3.705 0.020 2 1369 257 153 GLY C C 174.279 0.3 1 1370 257 153 GLY CA C 44.637 0.3 1 1371 257 153 GLY N N 106.900 0.3 1 1372 258 154 ILE H H 8.587 0.020 1 1373 258 154 ILE HA H 4.415 0.020 1 1374 258 154 ILE HB H 2.053 0.020 1 1375 258 154 ILE HD1 H 0.757 0.020 1 1376 258 154 ILE HG12 H 1.471 0.020 2 1377 258 154 ILE HG13 H 1.457 0.020 2 1378 258 154 ILE HG2 H 1.455 0.020 1 1379 258 154 ILE C C 175.368 0.3 1 1380 258 154 ILE CA C 58.219 0.3 1 1381 258 154 ILE CB C 35.774 0.3 1 1382 258 154 ILE CD1 C 12.083 0.3 1 1383 258 154 ILE CG1 C 27.868 0.3 1 1384 258 154 ILE CG2 C 17.760 0.3 1 1385 258 154 ILE N N 123.062 0.3 1 1386 259 155 GLN H H 8.652 0.020 1 1387 259 155 GLN HA H 4.189 0.020 1 1388 259 155 GLN HB2 H 2.097 0.020 2 1389 259 155 GLN HB3 H 2.197 0.020 2 1390 259 155 GLN HE21 H 8.256 0.020 1 1391 259 155 GLN HE22 H 7.649 0.020 1 1392 259 155 GLN HG2 H 2.961 0.020 2 1393 259 155 GLN HG3 H 2.913 0.020 2 1394 259 155 GLN C C 177.321 0.3 1 1395 259 155 GLN CA C 55.862 0.3 1 1396 259 155 GLN CB C 23.892 0.3 1 1397 259 155 GLN CG C 32.087 0.3 1 1398 259 155 GLN N N 123.400 0.3 1 1399 259 155 GLN NE2 N 117.198 0.3 1 1400 260 156 SER H H 8.084 0.020 1 1401 260 156 SER HA H 4.169 0.020 1 1402 260 156 SER HB2 H 3.916 0.020 1 1403 260 156 SER C C 172.161 0.3 1 1404 260 156 SER CA C 58.902 0.3 1 1405 260 156 SER CB C 59.864 0.3 1 1406 260 156 SER N N 117.418 0.3 1 1407 261 157 LEU H H 6.749 0.020 1 1408 261 157 LEU HA H 4.036 0.020 1 1409 261 157 LEU HB2 H 1.777 0.020 2 1410 261 157 LEU HB3 H 1.726 0.020 2 1411 261 157 LEU HD1 H 0.629 0.020 1 1412 261 157 LEU HD2 H 0.532 0.020 1 1413 261 157 LEU HG H 1.657 0.020 1 1414 261 157 LEU C C 175.397 0.3 1 1415 261 157 LEU CA C 53.831 0.3 1 1416 261 157 LEU CB C 40.492 0.3 1 1417 261 157 LEU CD1 C 22.689 0.3 1 1418 261 157 LEU CD2 C 21.097 0.3 1 1419 261 157 LEU CG C 24.413 0.3 1 1420 261 157 LEU N N 118.102 0.3 1 1421 262 158 TYR H H 7.608 0.020 1 1422 262 158 TYR HA H 4.004 0.020 1 1423 262 158 TYR HB2 H 3.097 0.020 1 1424 262 158 TYR CA C 56.804 0.3 1 1425 262 158 TYR CB C 38.603 0.3 1 1426 262 158 TYR N N 112.416 0.3 1 1427 263 159 GLY H H 8.299 0.020 1 1428 263 159 GLY HA2 H 4.208 0.020 2 1429 263 159 GLY HA3 H 3.777 0.020 2 1430 263 159 GLY CA C 41.313 0.3 1 1431 263 159 GLY N N 109.424 0.3 1 1432 264 160 ASP H H 7.879 0.020 1 1433 264 160 ASP HA H 4.555 0.020 1 1434 264 160 ASP HB2 H 2.615 0.020 2 1435 264 160 ASP HB3 H 2.529 0.020 2 1436 264 160 ASP CA C 48.436 0.3 1 1437 264 160 ASP CB C 36.504 0.3 1 1438 264 160 ASP N N 116.396 0.3 1 1439 272 168 PRO CA C 60.173 0.3 1 1440 272 168 PRO CB C 29.196 0.3 1 1441 272 168 PRO CD C 46.964 0.3 1 1442 272 168 PRO CG C 24.288 0.3 1 1443 273 169 ASN H H 8.381 0.020 1 1444 273 169 ASN HA H 4.775 0.020 1 1445 273 169 ASN HB2 H 2.724 0.020 2 1446 273 169 ASN HB3 H 2.560 0.020 2 1447 273 169 ASN CA C 48.443 0.3 1 1448 273 169 ASN CB C 35.859 0.3 1 1449 273 169 ASN N N 119.792 0.3 1 1450 279 175 PRO HA H 4.202 0.020 1 1451 279 175 PRO HB2 H 2.125 0.020 2 1452 279 175 PRO HB3 H 1.673 0.020 2 1453 279 175 PRO HD2 H 3.184 0.020 2 1454 279 175 PRO HD3 H 2.838 0.020 2 1455 279 175 PRO HG2 H 1.869 0.020 2 1456 279 175 PRO HG3 H 1.501 0.020 2 1457 279 175 PRO C C 172.875 0.3 1 1458 279 175 PRO CA C 59.919 0.3 1 1459 279 175 PRO CB C 29.178 0.3 1 1460 279 175 PRO CD C 47.405 0.3 1 1461 279 175 PRO CG C 23.746 0.3 1 1462 280 176 ALA H H 8.294 0.020 1 1463 280 176 ALA HA H 4.142 0.020 1 1464 280 176 ALA HB H 1.220 0.020 1 1465 280 176 ALA C C 174.935 0.3 1 1466 280 176 ALA CA C 49.198 0.3 1 1467 280 176 ALA CB C 16.161 0.3 1 1468 280 176 ALA N N 124.286 0.3 1 1469 281 177 LEU H H 7.717 0.020 1 1470 281 177 LEU HA H 3.704 0.020 1 1471 281 177 LEU HB2 H 1.311 0.020 1 1472 281 177 LEU HD1 H 0.233 0.020 1 1473 281 177 LEU HD2 H 0.242 0.020 1 1474 281 177 LEU HG H 1.246 0.020 1 1475 281 177 LEU C C 173.363 0.3 1 1476 281 177 LEU CA C 54.692 0.3 1 1477 281 177 LEU CB C 39.853 0.3 1 1478 281 177 LEU CD1 C 21.472 0.3 1 1479 281 177 LEU CD2 C 20.933 0.3 1 1480 281 177 LEU CG C 23.283 0.3 1 1481 281 177 LEU N N 122.165 0.3 1 1482 282 178 CYS H H 7.661 0.020 1 1483 282 178 CYS HA H 5.058 0.020 1 1484 282 178 CYS HB2 H 3.197 0.020 2 1485 282 178 CYS HB3 H 2.453 0.020 2 1486 282 178 CYS C C 173.257 0.3 1 1487 282 178 CYS CA C 49.101 0.3 1 1488 282 178 CYS CB C 33.981 0.3 1 1489 282 178 CYS N N 108.551 0.3 1 1490 283 179 ASP H H 7.224 0.020 1 1491 283 179 ASP HA H 4.466 0.020 1 1492 283 179 ASP HB2 H 2.638 0.020 2 1493 283 179 ASP HB3 H 2.596 0.020 2 1494 283 179 ASP C C 173.619 0.3 1 1495 283 179 ASP CA C 49.523 0.3 1 1496 283 179 ASP CB C 39.448 0.3 1 1497 283 179 ASP N N 123.557 0.3 1 1498 284 180 PRO HA H 4.019 0.020 1 1499 284 180 PRO HB2 H 2.089 0.020 2 1500 284 180 PRO HB3 H 1.784 0.020 2 1501 284 180 PRO HD2 H 3.658 0.020 1 1502 284 180 PRO HG2 H 1.956 0.020 2 1503 284 180 PRO HG3 H 1.554 0.020 2 1504 284 180 PRO C C 174.214 0.3 1 1505 284 180 PRO CA C 61.409 0.3 1 1506 284 180 PRO CB C 29.205 0.3 1 1507 284 180 PRO CD C 47.771 0.3 1 1508 284 180 PRO CG C 23.654 0.3 1 1509 284 180 PRO N N 139.496 0.3 1 1510 285 181 ASN H H 8.584 0.020 1 1511 285 181 ASN HA H 4.741 0.020 1 1512 285 181 ASN HB2 H 2.768 0.020 2 1513 285 181 ASN HB3 H 2.471 0.020 2 1514 285 181 ASN HD21 H 6.729 0.020 1 1515 285 181 ASN HD22 H 6.301 0.020 1 1516 285 181 ASN C C 171.978 0.3 1 1517 285 181 ASN CA C 49.492 0.3 1 1518 285 181 ASN CB C 36.417 0.3 1 1519 285 181 ASN N N 116.001 0.3 1 1520 285 181 ASN ND2 N 108.751 0.3 1 1521 286 182 LEU H H 6.967 0.020 1 1522 286 182 LEU HA H 3.721 0.020 1 1523 286 182 LEU HB2 H 1.323 0.020 2 1524 286 182 LEU HB3 H 1.259 0.020 2 1525 286 182 LEU HD1 H 0.586 0.020 1 1526 286 182 LEU HD2 H 0.584 0.020 1 1527 286 182 LEU HG H 0.467 0.020 1 1528 286 182 LEU C C 171.404 0.3 1 1529 286 182 LEU CA C 53.896 0.3 1 1530 286 182 LEU CB C 39.858 0.3 1 1531 286 182 LEU CD1 C 20.668 0.3 1 1532 286 182 LEU CD2 C 20.391 0.3 1 1533 286 182 LEU CG C 23.397 0.3 1 1534 286 182 LEU N N 122.798 0.3 1 1535 287 183 SER H H 7.265 0.020 1 1536 287 183 SER HA H 4.162 0.020 1 1537 287 183 SER HB2 H 3.757 0.020 2 1538 287 183 SER HB3 H 3.344 0.020 2 1539 287 183 SER C C 169.617 0.3 1 1540 287 183 SER CA C 52.913 0.3 1 1541 287 183 SER CB C 63.380 0.3 1 1542 287 183 SER N N 117.931 0.3 1 1543 288 184 PHE H H 9.248 0.020 1 1544 288 184 PHE HA H 4.977 0.020 1 1545 288 184 PHE HB2 H 3.034 0.020 2 1546 288 184 PHE HB3 H 2.055 0.020 2 1547 288 184 PHE C C 173.489 0.3 1 1548 288 184 PHE CA C 54.752 0.3 1 1549 288 184 PHE CB C 39.732 0.3 1 1550 288 184 PHE N N 117.046 0.3 1 1551 289 185 ASP H H 9.234 0.020 1 1552 289 185 ASP HA H 4.949 0.020 1 1553 289 185 ASP HB3 H 2.556 0.020 2 1554 289 185 ASP C C 173.395 0.3 1 1555 289 185 ASP CA C 53.210 0.3 1 1556 289 185 ASP CB C 39.445 0.3 1 1557 289 185 ASP CG C 178.747 0.3 1 1558 289 185 ASP N N 121.592 0.3 1 1559 290 186 ALA H H 7.767 0.020 1 1560 290 186 ALA HA H 4.995 0.020 1 1561 290 186 ALA HB H 1.180 0.020 1 1562 290 186 ALA C C 172.617 0.3 1 1563 290 186 ALA CA C 49.805 0.3 1 1564 290 186 ALA CB C 18.827 0.3 1 1565 290 186 ALA N N 118.184 0.3 1 1566 291 187 VAL H H 8.627 0.020 1 1567 291 187 VAL HA H 4.790 0.020 1 1568 291 187 VAL HB H 1.393 0.020 1 1569 291 187 VAL HG1 H -0.323 0.020 1 1570 291 187 VAL HG2 H -0.026 0.020 1 1571 291 187 VAL C C 171.542 0.3 1 1572 291 187 VAL CA C 58.604 0.3 1 1573 291 187 VAL CB C 34.505 0.3 1 1574 291 187 VAL CG1 C 20.005 0.3 1 1575 291 187 VAL CG2 C 19.694 0.3 1 1576 291 187 VAL N N 121.068 0.3 1 1577 292 188 THR H H 8.532 0.020 1 1578 292 188 THR HA H 4.838 0.020 1 1579 292 188 THR HB H 4.001 0.020 1 1580 292 188 THR HG2 H 0.811 0.020 1 1581 292 188 THR C C 169.981 0.3 1 1582 292 188 THR CA C 58.690 0.3 1 1583 292 188 THR CB C 66.514 0.3 1 1584 292 188 THR CG2 C 18.518 0.3 1 1585 292 188 THR N N 115.702 0.3 1 1586 293 189 THR H H 6.586 0.020 1 1587 293 189 THR HA H 4.675 0.020 1 1588 293 189 THR HB H 4.365 0.020 1 1589 293 189 THR HG2 H 1.241 0.020 1 1590 293 189 THR C C 172.715 0.3 1 1591 293 189 THR CA C 59.097 0.3 1 1592 293 189 THR CB C 66.922 0.3 1 1593 293 189 THR CG2 C 20.601 0.3 1 1594 293 189 THR N N 116.068 0.3 1 1595 294 190 VAL H H 8.382 0.020 1 1596 294 190 VAL HA H 4.084 0.020 1 1597 294 190 VAL HB H 1.718 0.020 1 1598 294 190 VAL HG1 H 0.282 0.020 1 1599 294 190 VAL HG2 H 0.562 0.020 1 1600 294 190 VAL C C 175.128 0.3 1 1601 294 190 VAL CA C 58.918 0.3 1 1602 294 190 VAL CB C 30.440 0.3 1 1603 294 190 VAL CG1 C 19.813 0.3 1 1604 294 190 VAL CG2 C 17.684 0.3 1 1605 294 190 VAL N N 122.863 0.3 1 1606 295 191 GLY H H 9.994 0.020 1 1607 295 191 GLY HA2 H 3.820 0.020 2 1608 295 191 GLY HA3 H 3.789 0.020 2 1609 295 191 GLY C C 173.005 0.3 1 1610 295 191 GLY CA C 44.966 0.3 1 1611 295 191 GLY N N 120.094 0.3 1 1612 296 192 ASN H H 8.711 0.020 1 1613 296 192 ASN HA H 4.699 0.020 1 1614 296 192 ASN HB2 H 3.095 0.020 2 1615 296 192 ASN HB3 H 2.781 0.020 2 1616 296 192 ASN HD21 H 7.629 0.020 1 1617 296 192 ASN HD22 H 6.907 0.020 1 1618 296 192 ASN C C 171.410 0.3 1 1619 296 192 ASN CA C 50.854 0.3 1 1620 296 192 ASN CB C 34.708 0.3 1 1621 296 192 ASN CG C 175.437 0.3 1 1622 296 192 ASN N N 126.467 0.3 1 1623 296 192 ASN ND2 N 112.082 0.3 1 1624 297 193 LYS H H 7.908 0.020 1 1625 297 193 LYS HA H 4.966 0.020 1 1626 297 193 LYS HB2 H 1.952 0.020 2 1627 297 193 LYS HB3 H 1.849 0.020 2 1628 297 193 LYS HD2 H 1.282 0.020 2 1629 297 193 LYS HD3 H 1.195 0.020 2 1630 297 193 LYS HE2 H 2.882 0.020 2 1631 297 193 LYS HE3 H 2.802 0.020 2 1632 297 193 LYS HG2 H 1.543 0.020 2 1633 297 193 LYS HG3 H 1.412 0.020 2 1634 297 193 LYS C C 173.484 0.3 1 1635 297 193 LYS CA C 52.140 0.3 1 1636 297 193 LYS CB C 32.965 0.3 1 1637 297 193 LYS CD C 25.914 0.3 1 1638 297 193 LYS CE C 39.121 0.3 1 1639 297 193 LYS CG C 21.801 0.3 1 1640 297 193 LYS N N 119.903 0.3 1 1641 298 194 ILE H H 8.865 0.020 1 1642 298 194 ILE HA H 3.937 0.020 1 1643 298 194 ILE HB H 1.111 0.020 1 1644 298 194 ILE HD1 H -0.129 0.020 1 1645 298 194 ILE HG12 H 1.060 0.020 2 1646 298 194 ILE HG13 H -0.005 0.020 2 1647 298 194 ILE HG2 H -0.943 0.020 1 1648 298 194 ILE C C 170.730 0.3 1 1649 298 194 ILE CA C 59.721 0.3 1 1650 298 194 ILE CB C 36.999 0.3 1 1651 298 194 ILE CD1 C 10.335 0.3 1 1652 298 194 ILE CG1 C 23.546 0.3 1 1653 298 194 ILE CG2 C 15.316 0.3 1 1654 298 194 ILE N N 120.417 0.3 1 1655 299 195 PHE H H 8.607 0.020 1 1656 299 195 PHE HA H 4.959 0.020 1 1657 299 195 PHE HB2 H 2.721 0.020 1 1658 299 195 PHE C C 170.883 0.3 1 1659 299 195 PHE CA C 53.307 0.3 1 1660 299 195 PHE CB C 38.599 0.3 1 1661 299 195 PHE N N 126.007 0.3 1 1662 300 196 PHE H H 8.979 0.020 1 1663 300 196 PHE HA H 4.984 0.020 1 1664 300 196 PHE HB2 H 3.014 0.020 2 1665 300 196 PHE HB3 H 2.557 0.020 2 1666 300 196 PHE C C 172.533 0.3 1 1667 300 196 PHE CA C 52.589 0.3 1 1668 300 196 PHE CB C 37.905 0.3 1 1669 300 196 PHE N N 120.407 0.3 1 1670 301 197 PHE H H 9.121 0.020 1 1671 301 197 PHE HA H 5.255 0.020 1 1672 301 197 PHE HB2 H 3.803 0.020 2 1673 301 197 PHE HB3 H 3.026 0.020 2 1674 301 197 PHE C C 173.707 0.3 1 1675 301 197 PHE CA C 56.075 0.3 1 1676 301 197 PHE CB C 37.357 0.3 1 1677 301 197 PHE N N 120.533 0.3 1 1678 302 198 LYS H H 9.265 0.020 1 1679 302 198 LYS HA H 4.530 0.020 1 1680 302 198 LYS HB2 H 2.204 0.020 2 1681 302 198 LYS HB3 H 2.183 0.020 2 1682 302 198 LYS HD2 H 1.860 0.020 2 1683 302 198 LYS HD3 H 1.640 0.020 2 1684 302 198 LYS HE2 H 2.961 0.020 1 1685 302 198 LYS HG2 H 1.437 0.020 2 1686 302 198 LYS HG3 H 1.221 0.020 2 1687 302 198 LYS C C 171.286 0.3 1 1688 302 198 LYS CA C 54.444 0.3 1 1689 302 198 LYS CB C 33.574 0.3 1 1690 302 198 LYS CD C 25.794 0.3 1 1691 302 198 LYS CE C 39.707 0.3 1 1692 302 198 LYS CG C 22.028 0.3 1 1693 302 198 LYS N N 123.624 0.3 1 1694 303 199 ASP H H 10.086 0.020 1 1695 303 199 ASP HA H 4.154 0.020 1 1696 303 199 ASP HB2 H 3.124 0.020 2 1697 303 199 ASP HB3 H 2.971 0.020 2 1698 303 199 ASP C C 173.916 0.3 1 1699 303 199 ASP CA C 54.171 0.3 1 1700 303 199 ASP CB C 37.488 0.3 1 1701 303 199 ASP N N 129.271 0.3 1 1702 304 200 ARG H H 7.673 0.020 1 1703 304 200 ARG HA H 4.481 0.020 1 1704 304 200 ARG HB2 H 1.494 0.020 2 1705 304 200 ARG HB3 H 1.352 0.020 2 1706 304 200 ARG HD2 H 3.127 0.020 2 1707 304 200 ARG HD3 H 2.973 0.020 2 1708 304 200 ARG HG2 H 1.188 0.020 2 1709 304 200 ARG HG3 H 0.851 0.020 2 1710 304 200 ARG C C 172.350 0.3 1 1711 304 200 ARG CA C 53.858 0.3 1 1712 304 200 ARG CB C 27.664 0.3 1 1713 304 200 ARG CD C 40.376 0.3 1 1714 304 200 ARG CG C 23.028 0.3 1 1715 304 200 ARG N N 121.356 0.3 1 1716 305 201 PHE H H 8.788 0.020 1 1717 305 201 PHE HA H 5.274 0.020 1 1718 305 201 PHE HB2 H 2.800 0.020 1 1719 305 201 PHE C C 172.106 0.3 1 1720 305 201 PHE CA C 55.070 0.3 1 1721 305 201 PHE CB C 40.176 0.3 1 1722 305 201 PHE N N 121.979 0.3 1 1723 306 202 PHE H H 8.796 0.020 1 1724 306 202 PHE HA H 5.787 0.020 1 1725 306 202 PHE HB2 H 2.366 0.020 2 1726 306 202 PHE HB3 H 2.240 0.020 2 1727 306 202 PHE C C 170.798 0.3 1 1728 306 202 PHE CA C 53.551 0.3 1 1729 306 202 PHE CB C 39.563 0.3 1 1730 306 202 PHE N N 112.668 0.3 1 1731 307 203 TRP H H 9.699 0.020 1 1732 307 203 TRP HA H 5.116 0.020 1 1733 307 203 TRP HB2 H 2.991 0.020 1 1734 307 203 TRP HE1 H 9.901 0.020 1 1735 307 203 TRP C C 172.394 0.3 1 1736 307 203 TRP CA C 54.362 0.3 1 1737 307 203 TRP CB C 29.119 0.3 1 1738 307 203 TRP N N 124.263 0.3 1 1739 307 203 TRP NE1 N 128.514 0.3 1 1740 308 204 LEU H H 8.551 0.020 1 1741 308 204 LEU HA H 5.004 0.020 1 1742 308 204 LEU HB2 H 1.549 0.020 2 1743 308 204 LEU HB3 H 0.747 0.020 2 1744 308 204 LEU HD1 H 0.452 0.020 1 1745 308 204 LEU HD2 H 0.002 0.020 1 1746 308 204 LEU HG H 0.933 0.020 1 1747 308 204 LEU C C 172.221 0.3 1 1748 308 204 LEU CA C 50.640 0.3 1 1749 308 204 LEU CB C 42.685 0.3 1 1750 308 204 LEU CD1 C 21.984 0.3 1 1751 308 204 LEU CD2 C 20.582 0.3 1 1752 308 204 LEU CG C 24.035 0.3 1 1753 308 204 LEU N N 124.003 0.3 1 1754 309 205 LYS H H 8.987 0.020 1 1755 309 205 LYS HA H 4.941 0.020 1 1756 309 205 LYS HB2 H 1.913 0.020 2 1757 309 205 LYS HB3 H 1.658 0.020 2 1758 309 205 LYS HD2 H 1.848 0.020 2 1759 309 205 LYS HD3 H 1.542 0.020 2 1760 309 205 LYS HE2 H 3.226 0.020 1 1761 309 205 LYS HG2 H 1.486 0.020 2 1762 309 205 LYS HG3 H 1.347 0.020 2 1763 309 205 LYS C C 172.170 0.3 1 1764 309 205 LYS CA C 51.259 0.3 1 1765 309 205 LYS CB C 32.688 0.3 1 1766 309 205 LYS CD C 25.754 0.3 1 1767 309 205 LYS CE C 39.436 0.3 1 1768 309 205 LYS CG C 21.837 0.3 1 1769 309 205 LYS N N 128.877 0.3 1 1770 310 206 VAL H H 9.087 0.020 1 1771 310 206 VAL HA H 4.296 0.020 1 1772 310 206 VAL HB H 1.980 0.020 1 1773 310 206 VAL HG1 H 0.874 0.020 1 1774 310 206 VAL HG2 H 0.861 0.020 1 1775 310 206 VAL C C 173.479 0.3 1 1776 310 206 VAL CA C 58.742 0.3 1 1777 310 206 VAL CB C 30.279 0.3 1 1778 310 206 VAL CG1 C 18.831 0.3 1 1779 310 206 VAL CG2 C 18.158 0.3 1 1780 310 206 VAL N N 125.670 0.3 1 1781 311 207 SER H H 8.559 0.020 1 1782 311 207 SER HA H 4.054 0.020 1 1783 311 207 SER HB2 H 3.855 0.020 1 1784 311 207 SER C C 172.484 0.3 1 1785 311 207 SER CA C 58.340 0.3 1 1786 311 207 SER CB C 60.558 0.3 1 1787 311 207 SER N N 121.413 0.3 1 1788 312 208 GLU H H 8.663 0.020 1 1789 312 208 GLU HA H 4.007 0.020 1 1790 312 208 GLU HB2 H 2.124 0.020 2 1791 312 208 GLU HB3 H 2.030 0.020 2 1792 312 208 GLU HG2 H 2.184 0.020 1 1793 312 208 GLU C C 172.990 0.3 1 1794 312 208 GLU CA C 55.141 0.3 1 1795 312 208 GLU CB C 25.599 0.3 1 1796 312 208 GLU CG C 33.618 0.3 1 1797 312 208 GLU N N 117.000 0.3 1 1798 313 209 ARG H H 7.693 0.020 1 1799 313 209 ARG HA H 4.780 0.020 1 1800 313 209 ARG HB2 H 1.921 0.020 2 1801 313 209 ARG HB3 H 1.694 0.020 2 1802 313 209 ARG HD2 H 3.072 0.020 1 1803 313 209 ARG HG2 H 1.532 0.020 1 1804 313 209 ARG C C 173.082 0.3 1 1805 313 209 ARG CA C 50.372 0.3 1 1806 313 209 ARG CB C 28.213 0.3 1 1807 313 209 ARG CD C 40.284 0.3 1 1808 313 209 ARG CG C 24.127 0.3 1 1809 313 209 ARG N N 119.239 0.3 1 1810 314 210 PRO HA H 4.254 0.020 1 1811 314 210 PRO HB2 H 2.127 0.020 2 1812 314 210 PRO HB3 H 1.921 0.020 2 1813 314 210 PRO HD2 H 3.687 0.020 2 1814 314 210 PRO HD3 H 3.648 0.020 2 1815 314 210 PRO HG2 H 1.900 0.020 2 1816 314 210 PRO HG3 H 1.776 0.020 2 1817 314 210 PRO C C 174.366 0.3 1 1818 314 210 PRO CA C 61.616 0.3 1 1819 314 210 PRO CB C 29.040 0.3 1 1820 314 210 PRO CD C 47.592 0.3 1 1821 314 210 PRO CG C 23.740 0.3 1 1822 314 210 PRO N N 134.865 0.3 1 1823 315 211 LYS H H 7.605 0.020 1 1824 315 211 LYS HA H 4.314 0.020 1 1825 315 211 LYS HB2 H 1.659 0.020 1 1826 315 211 LYS HD2 H 1.544 0.020 1 1827 315 211 LYS HE2 H 2.878 0.020 1 1828 315 211 LYS HG2 H 1.263 0.020 2 1829 315 211 LYS HG3 H 1.212 0.020 2 1830 315 211 LYS C C 173.703 0.3 1 1831 315 211 LYS CA C 53.866 0.3 1 1832 315 211 LYS CB C 30.736 0.3 1 1833 315 211 LYS CD C 25.845 0.3 1 1834 315 211 LYS CE C 39.184 0.3 1 1835 315 211 LYS CG C 21.868 0.3 1 1836 315 211 LYS N N 118.653 0.3 1 1837 316 212 THR H H 8.383 0.020 1 1838 316 212 THR HA H 4.613 0.020 1 1839 316 212 THR HB H 3.603 0.020 1 1840 316 212 THR HG2 H 0.683 0.020 1 1841 316 212 THR C C 170.788 0.3 1 1842 316 212 THR CA C 60.076 0.3 1 1843 316 212 THR CB C 67.708 0.3 1 1844 316 212 THR CG2 C 18.922 0.3 1 1845 316 212 THR N N 123.085 0.3 1 1846 317 213 SER H H 8.123 0.020 1 1847 317 213 SER HA H 4.596 0.020 1 1848 317 213 SER HB2 H 3.625 0.020 1 1849 317 213 SER C C 169.471 0.3 1 1850 317 213 SER CA C 53.437 0.3 1 1851 317 213 SER CB C 62.939 0.3 1 1852 317 213 SER N N 119.452 0.3 1 1853 318 214 VAL H H 8.203 0.020 1 1854 318 214 VAL HA H 4.141 0.020 1 1855 318 214 VAL HB H 1.289 0.020 1 1856 318 214 VAL HG1 H -0.247 0.020 1 1857 318 214 VAL HG2 H 0.180 0.020 1 1858 318 214 VAL C C 171.359 0.3 1 1859 318 214 VAL CA C 57.746 0.3 1 1860 318 214 VAL CB C 30.442 0.3 1 1861 318 214 VAL CG1 C 17.677 0.3 1 1862 318 214 VAL CG2 C 16.478 0.3 1 1863 318 214 VAL N N 122.646 0.3 1 1864 319 215 ASN H H 7.977 0.020 1 1865 319 215 ASN HA H 4.573 0.020 1 1866 319 215 ASN HD21 H 5.870 0.020 1 1867 319 215 ASN HD22 H 6.652 0.020 1 1868 319 215 ASN C C 170.572 0.3 1 1869 319 215 ASN CA C 48.610 0.3 1 1870 319 215 ASN CB C 40.800 0.3 1 1871 319 215 ASN N N 123.640 0.3 1 1872 319 215 ASN ND2 N 113.980 0.3 1 1873 320 216 LEU H H 8.746 0.020 1 1874 320 216 LEU HA H 4.423 0.020 1 1875 320 216 LEU HB2 H 1.471 0.020 2 1876 320 216 LEU HB3 H 1.389 0.020 2 1877 320 216 LEU HD1 H 0.690 0.020 1 1878 320 216 LEU HD2 H 0.373 0.020 1 1879 320 216 LEU HG H 1.492 0.020 1 1880 320 216 LEU C C 176.944 0.3 1 1881 320 216 LEU CA C 51.614 0.3 1 1882 320 216 LEU CB C 38.801 0.3 1 1883 320 216 LEU CD1 C 22.092 0.3 1 1884 320 216 LEU CD2 C 20.337 0.3 1 1885 320 216 LEU CG C 24.122 0.3 1 1886 320 216 LEU N N 120.622 0.3 1 1887 321 217 ILE H H 8.961 0.020 1 1888 321 217 ILE HA H 3.754 0.020 1 1889 321 217 ILE HB H 1.634 0.020 1 1890 321 217 ILE HD1 H 1.179 0.020 1 1891 321 217 ILE HG12 H 1.685 0.020 2 1892 321 217 ILE HG13 H 1.124 0.020 2 1893 321 217 ILE HG2 H 0.945 0.020 1 1894 321 217 ILE C C 175.127 0.3 1 1895 321 217 ILE CA C 64.135 0.3 1 1896 321 217 ILE CB C 36.074 0.3 1 1897 321 217 ILE CD1 C 11.671 0.3 1 1898 321 217 ILE CG1 C 28.676 0.3 1 1899 321 217 ILE CG2 C 14.451 0.3 1 1900 321 217 ILE N N 127.860 0.3 1 1901 322 218 SER H H 8.611 0.020 1 1902 322 218 SER HA H 3.700 0.020 1 1903 322 218 SER HB2 H 3.851 0.020 1 1904 322 218 SER C C 172.011 0.3 1 1905 322 218 SER CA C 57.410 0.3 1 1906 322 218 SER CB C 60.144 0.3 1 1907 322 218 SER N N 112.595 0.3 1 1908 323 219 SER H H 7.439 0.020 1 1909 323 219 SER HA H 4.074 0.020 1 1910 323 219 SER HB2 H 3.740 0.020 2 1911 323 219 SER HB3 H 3.825 0.020 2 1912 323 219 SER C C 171.018 0.3 1 1913 323 219 SER CA C 57.952 0.3 1 1914 323 219 SER CB C 60.565 0.3 1 1915 323 219 SER N N 116.711 0.3 1 1916 324 220 LEU H H 6.957 0.020 1 1917 324 220 LEU HA H 4.190 0.020 1 1918 324 220 LEU HB2 H 0.717 0.020 2 1919 324 220 LEU HB3 H 0.542 0.020 2 1920 324 220 LEU HD1 H -0.353 0.020 1 1921 324 220 LEU HD2 H 0.309 0.020 1 1922 324 220 LEU HG H -0.136 0.020 1 1923 324 220 LEU C C 173.269 0.3 1 1924 324 220 LEU CA C 53.055 0.3 1 1925 324 220 LEU CB C 41.149 0.3 1 1926 324 220 LEU CD1 C 21.659 0.3 1 1927 324 220 LEU CD2 C 20.295 0.3 1 1928 324 220 LEU CG C 23.040 0.3 1 1929 324 220 LEU N N 122.841 0.3 1 1930 325 221 TRP H H 7.893 0.020 1 1931 325 221 TRP HA H 5.265 0.020 1 1932 325 221 TRP HB2 H 2.906 0.020 2 1933 325 221 TRP HB3 H 2.707 0.020 2 1934 325 221 TRP HE1 H 9.374 0.020 1 1935 325 221 TRP C C 172.968 0.3 1 1936 325 221 TRP CA C 50.640 0.3 1 1937 325 221 TRP CB C 26.202 0.3 1 1938 325 221 TRP N N 116.950 0.3 1 1939 325 221 TRP NE1 N 126.200 0.3 1 1940 326 222 PRO HA H 4.255 0.020 1 1941 326 222 PRO HB2 H 2.405 0.020 2 1942 326 222 PRO HB3 H 1.852 0.020 2 1943 326 222 PRO HD2 H 3.194 0.020 1 1944 326 222 PRO HG2 H 1.978 0.020 2 1945 326 222 PRO HG3 H 1.871 0.020 2 1946 326 222 PRO C C 175.169 0.3 1 1947 326 222 PRO CA C 62.145 0.3 1 1948 326 222 PRO CB C 29.393 0.3 1 1949 326 222 PRO CD C 47.567 0.3 1 1950 326 222 PRO CG C 24.092 0.3 1 1951 326 222 PRO N N 134.800 0.3 1 1952 327 223 THR H H 8.308 0.020 1 1953 327 223 THR HA H 4.228 0.020 1 1954 327 223 THR HB H 4.410 0.020 1 1955 327 223 THR HG2 H 1.061 0.020 1 1956 327 223 THR C C 171.833 0.3 1 1957 327 223 THR CA C 59.079 0.3 1 1958 327 223 THR CB C 66.202 0.3 1 1959 327 223 THR CG2 C 18.553 0.3 1 1960 327 223 THR N N 107.640 0.3 1 1961 328 224 LEU H H 7.165 0.020 1 1962 328 224 LEU HA H 3.719 0.020 1 1963 328 224 LEU HB2 H 1.364 0.020 2 1964 328 224 LEU HB3 H 0.909 0.020 2 1965 328 224 LEU HD1 H -0.146 0.020 1 1966 328 224 LEU HD2 H -0.324 0.020 1 1967 328 224 LEU HG H 0.484 0.020 1 1968 328 224 LEU C C 174.580 0.3 1 1969 328 224 LEU CA C 49.911 0.3 1 1970 328 224 LEU CB C 37.382 0.3 1 1971 328 224 LEU CD1 C 21.771 0.3 1 1972 328 224 LEU CD2 C 20.045 0.3 1 1973 328 224 LEU CG C 25.588 0.3 1 1974 328 224 LEU N N 125.874 0.3 1 1975 329 225 PRO HA H 4.322 0.020 1 1976 329 225 PRO HB2 H 1.942 0.020 2 1977 329 225 PRO HB3 H 1.823 0.020 2 1978 329 225 PRO HD2 H 2.657 0.020 2 1979 329 225 PRO HG2 H 1.567 0.020 2 1980 329 225 PRO HG3 H 1.196 0.020 2 1981 329 225 PRO C C 171.365 0.3 1 1982 329 225 PRO CA C 59.445 0.3 1 1983 329 225 PRO CB C 29.032 0.3 1 1984 329 225 PRO CG C 23.902 0.3 1 1985 329 225 PRO N N 139.637 0.3 1 1986 330 226 SER H H 7.325 0.020 1 1987 330 226 SER HA H 4.264 0.020 1 1988 330 226 SER HB2 H 3.615 0.020 2 1989 330 226 SER HB3 H 3.577 0.020 2 1990 330 226 SER C C 171.895 0.3 1 1991 330 226 SER CA C 54.450 0.3 1 1992 330 226 SER CB C 61.504 0.3 1 1993 330 226 SER N N 107.852 0.3 1 1994 331 227 GLY H H 7.627 0.020 1 1995 331 227 GLY HA2 H 3.896 0.020 2 1996 331 227 GLY HA3 H 3.593 0.020 2 1997 331 227 GLY C C 172.349 0.3 1 1998 331 227 GLY CA C 45.198 0.3 1 1999 331 227 GLY N N 109.364 0.3 1 2000 332 228 ILE H H 8.107 0.020 1 2001 332 228 ILE HA H 3.522 0.020 1 2002 332 228 ILE HB H 1.345 0.020 1 2003 332 228 ILE HD1 H 0.115 0.020 1 2004 332 228 ILE HG12 H 0.999 0.020 2 2005 332 228 ILE HG13 H 0.817 0.020 2 2006 332 228 ILE HG2 H 0.381 0.020 1 2007 332 228 ILE C C 172.145 0.3 1 2008 332 228 ILE CA C 57.655 0.3 1 2009 332 228 ILE CB C 34.533 0.3 1 2010 332 228 ILE CD1 C 7.671 0.3 1 2011 332 228 ILE CG1 C 23.889 0.3 1 2012 332 228 ILE CG2 C 15.331 0.3 1 2013 332 228 ILE N N 122.190 0.3 1 2014 333 229 GLU H H 8.475 0.020 1 2015 333 229 GLU HA H 4.246 0.020 1 2016 333 229 GLU HB2 H 2.568 0.020 2 2017 333 229 GLU HB3 H 1.880 0.020 2 2018 333 229 GLU HG2 H 2.644 0.020 2 2019 333 229 GLU HG3 H 2.395 0.020 2 2020 333 229 GLU C C 173.746 0.3 1 2021 333 229 GLU CA C 55.008 0.3 1 2022 333 229 GLU CB C 29.493 0.3 1 2023 333 229 GLU CG C 35.334 0.3 1 2024 333 229 GLU N N 123.049 0.3 1 2025 334 230 ALA H H 7.607 0.020 1 2026 334 230 ALA HA H 5.097 0.020 1 2027 334 230 ALA HB H 1.014 0.020 1 2028 334 230 ALA C C 172.781 0.3 1 2029 334 230 ALA CA C 49.134 0.3 1 2030 334 230 ALA CB C 19.085 0.3 1 2031 334 230 ALA N N 117.055 0.3 1 2032 335 231 ALA H H 8.780 0.020 1 2033 335 231 ALA HA H 5.828 0.020 1 2034 335 231 ALA HB H 1.045 0.020 1 2035 335 231 ALA C C 171.613 0.3 1 2036 335 231 ALA CA C 48.910 0.3 1 2037 335 231 ALA CB C 20.503 0.3 1 2038 335 231 ALA N N 123.657 0.3 1 2039 336 232 TYR H H 9.259 0.020 1 2040 336 232 TYR HA H 5.114 0.020 1 2041 336 232 TYR HB2 H 2.597 0.020 1 2042 336 232 TYR C C 168.464 0.3 1 2043 336 232 TYR CA C 54.013 0.3 1 2044 336 232 TYR CB C 37.027 0.3 1 2045 336 232 TYR N N 119.420 0.3 1 2046 337 233 GLU H H 8.990 0.020 1 2047 337 233 GLU HA H 5.367 0.020 1 2048 337 233 GLU HB2 H 2.215 0.020 1 2049 337 233 GLU HG2 H 2.251 0.020 1 2050 337 233 GLU C C 171.919 0.3 1 2051 337 233 GLU CA C 50.908 0.3 1 2052 337 233 GLU CB C 30.061 0.3 1 2053 337 233 GLU CG C 32.377 0.3 1 2054 337 233 GLU N N 118.285 0.3 1 2055 338 234 ILE H H 7.857 0.020 1 2056 338 234 ILE HA H 3.793 0.020 1 2057 338 234 ILE HB H 1.534 0.020 1 2058 338 234 ILE HD1 H 0.447 0.020 1 2059 338 234 ILE HG2 H 0.278 0.020 1 2060 338 234 ILE C C 174.591 0.3 1 2061 338 234 ILE CA C 58.597 0.3 1 2062 338 234 ILE CB C 36.092 0.3 1 2063 338 234 ILE CD1 C 10.012 0.3 1 2064 338 234 ILE CG1 C 22.860 0.3 1 2065 338 234 ILE CG2 C 13.779 0.3 1 2066 338 234 ILE N N 118.181 0.3 1 2067 339 235 GLU H H 9.329 0.020 1 2068 339 235 GLU HA H 4.102 0.020 1 2069 339 235 GLU HB2 H 2.043 0.020 1 2070 339 235 GLU HG2 H 2.353 0.020 2 2071 339 235 GLU HG3 H 2.170 0.020 2 2072 339 235 GLU C C 177.941 0.3 1 2073 339 235 GLU CA C 57.519 0.3 1 2074 339 235 GLU CB C 25.732 0.3 1 2075 339 235 GLU CG C 32.988 0.3 1 2076 339 235 GLU N N 132.211 0.3 1 2077 340 236 ALA H H 8.761 0.020 1 2078 340 236 ALA HA H 4.060 0.020 1 2079 340 236 ALA HB H 1.413 0.020 1 2080 340 236 ALA C C 175.728 0.3 1 2081 340 236 ALA CA C 51.660 0.3 1 2082 340 236 ALA CB C 16.142 0.3 1 2083 340 236 ALA N N 119.851 0.3 1 2084 341 237 ARG H H 7.016 0.020 1 2085 341 237 ARG HA H 4.261 0.020 1 2086 341 237 ARG HB2 H 1.949 0.020 2 2087 341 237 ARG HB3 H 1.489 0.020 2 2088 341 237 ARG HD2 H 3.065 0.020 1 2089 341 237 ARG HG2 H 1.517 0.020 2 2090 341 237 ARG HG3 H 1.371 0.020 2 2091 341 237 ARG C C 172.305 0.3 1 2092 341 237 ARG CA C 52.130 0.3 1 2093 341 237 ARG CB C 28.242 0.3 1 2094 341 237 ARG CD C 40.622 0.3 1 2095 341 237 ARG CG C 24.484 0.3 1 2096 341 237 ARG N N 112.349 0.3 1 2097 342 238 ASN H H 8.243 0.020 1 2098 342 238 ASN HA H 4.252 0.020 1 2099 342 238 ASN HB2 H 2.975 0.020 2 2100 342 238 ASN HB3 H 2.686 0.020 2 2101 342 238 ASN HD21 H 7.463 0.020 1 2102 342 238 ASN HD22 H 6.670 0.020 1 2103 342 238 ASN C C 171.318 0.3 1 2104 342 238 ASN CA C 51.228 0.3 1 2105 342 238 ASN CB C 34.526 0.3 1 2106 342 238 ASN N N 118.350 0.3 1 2107 342 238 ASN ND2 N 112.066 0.3 1 2108 343 239 GLN H H 7.057 0.020 1 2109 343 239 GLN HA H 4.882 0.020 1 2110 343 239 GLN HB2 H 1.622 0.020 2 2111 343 239 GLN HB3 H 1.511 0.020 2 2112 343 239 GLN HE21 H 7.173 0.020 1 2113 343 239 GLN HE22 H 6.367 0.020 1 2114 343 239 GLN HG2 H 2.945 0.020 1 2115 343 239 GLN C C 173.147 0.3 1 2116 343 239 GLN CA C 51.654 0.3 1 2117 343 239 GLN CB C 29.666 0.3 1 2118 343 239 GLN N N 113.976 0.3 1 2119 343 239 GLN NE2 N 107.332 0.3 1 2120 344 240 VAL H H 8.464 0.020 1 2121 344 240 VAL HA H 4.332 0.020 1 2122 344 240 VAL HB H 1.275 0.020 1 2123 344 240 VAL HG1 H 0.679 0.020 1 2124 344 240 VAL HG2 H 0.451 0.020 1 2125 344 240 VAL C C 169.069 0.3 1 2126 344 240 VAL CA C 58.380 0.3 1 2127 344 240 VAL CB C 32.814 0.3 1 2128 344 240 VAL CG1 C 21.089 0.3 1 2129 344 240 VAL CG2 C 18.026 0.3 1 2130 344 240 VAL N N 122.931 0.3 1 2131 345 241 PHE H H 9.084 0.020 1 2132 345 241 PHE HA H 4.901 0.020 1 2133 345 241 PHE HB2 H 2.047 0.020 2 2134 345 241 PHE HB3 H 1.918 0.020 2 2135 345 241 PHE C C 170.802 0.3 1 2136 345 241 PHE CA C 53.302 0.3 1 2137 345 241 PHE CB C 39.678 0.3 1 2138 345 241 PHE N N 125.473 0.3 1 2139 346 242 LEU H H 8.148 0.020 1 2140 346 242 LEU HA H 5.060 0.020 1 2141 346 242 LEU HB2 H 1.314 0.020 2 2142 346 242 LEU HB3 H 1.069 0.020 2 2143 346 242 LEU HD1 H 0.296 0.020 1 2144 346 242 LEU HD2 H 0.310 0.020 1 2145 346 242 LEU C C 173.845 0.3 1 2146 346 242 LEU CA C 50.365 0.3 1 2147 346 242 LEU CB C 41.587 0.3 1 2148 346 242 LEU CD1 C 21.194 0.3 1 2149 346 242 LEU CD2 C 20.926 0.3 1 2150 346 242 LEU CG C 23.253 0.3 1 2151 346 242 LEU N N 119.233 0.3 1 2152 347 243 PHE H H 8.193 0.020 1 2153 347 243 PHE HA H 5.136 0.020 1 2154 347 243 PHE HB2 H 2.752 0.020 1 2155 347 243 PHE C C 172.435 0.3 1 2156 347 243 PHE CA C 55.237 0.3 1 2157 347 243 PHE CB C 39.692 0.3 1 2158 347 243 PHE N N 119.583 0.3 1 2159 348 244 LYS H H 8.853 0.020 1 2160 348 244 LYS HA H 4.389 0.020 1 2161 348 244 LYS HB2 H 1.564 0.020 1 2162 348 244 LYS HD2 H 1.710 0.020 1 2163 348 244 LYS HE2 H 2.976 0.020 1 2164 348 244 LYS HG2 H 1.435 0.020 1 2165 348 244 LYS C C 173.135 0.3 1 2166 348 244 LYS CA C 55.647 0.3 1 2167 348 244 LYS CB C 33.266 0.3 1 2168 348 244 LYS CD C 27.009 0.3 1 2169 348 244 LYS CE C 39.287 0.3 1 2170 348 244 LYS CG C 22.355 0.3 1 2171 348 244 LYS N N 120.302 0.3 1 2172 349 245 ASP H H 10.129 0.020 1 2173 349 245 ASP HA H 4.274 0.020 1 2174 349 245 ASP HB2 H 3.064 0.020 2 2175 349 245 ASP HB3 H 2.949 0.020 2 2176 349 245 ASP C C 171.402 0.3 1 2177 349 245 ASP CA C 53.914 0.3 1 2178 349 245 ASP CB C 36.894 0.3 1 2179 349 245 ASP N N 129.223 0.3 1 2180 350 246 ASP H H 8.343 0.020 1 2181 350 246 ASP HA H 4.298 0.020 1 2182 350 246 ASP HB2 H 2.909 0.020 2 2183 350 246 ASP HB3 H 2.473 0.020 2 2184 350 246 ASP C C 173.231 0.3 1 2185 350 246 ASP CA C 50.303 0.3 1 2186 350 246 ASP CB C 35.650 0.3 1 2187 350 246 ASP N N 118.702 0.3 1 2188 351 247 LYS H H 8.135 0.020 1 2189 351 247 LYS HA H 5.073 0.020 1 2190 351 247 LYS HB2 H 1.756 0.020 1 2191 351 247 LYS HD2 H 1.181 0.020 1 2192 351 247 LYS HE2 H 3.059 0.020 1 2193 351 247 LYS HG2 H 1.260 0.020 2 2194 351 247 LYS HG3 H 1.126 0.020 2 2195 351 247 LYS C C 170.995 0.3 1 2196 351 247 LYS CA C 51.505 0.3 1 2197 351 247 LYS CB C 34.222 0.3 1 2198 351 247 LYS CD C 25.605 0.3 1 2199 351 247 LYS CE C 39.489 0.3 1 2200 351 247 LYS CG C 21.541 0.3 1 2201 351 247 LYS N N 122.516 0.3 1 2202 352 248 TYR H H 8.351 0.020 1 2203 352 248 TYR HA H 5.096 0.020 1 2204 352 248 TYR HB2 H 1.170 0.020 2 2205 352 248 TYR HB3 H 0.908 0.020 2 2206 352 248 TYR C C 169.517 0.3 1 2207 352 248 TYR CA C 52.826 0.3 1 2208 352 248 TYR CB C 39.432 0.3 1 2209 352 248 TYR N N 114.058 0.3 1 2210 353 249 TRP H H 8.982 0.020 1 2211 353 249 TRP HA H 4.186 0.020 1 2212 353 249 TRP HB2 H 1.701 0.020 1 2213 353 249 TRP HE1 H 10.020 0.020 1 2214 353 249 TRP C C 173.221 0.3 1 2215 353 249 TRP CA C 53.201 0.3 1 2216 353 249 TRP CB C 27.813 0.3 1 2217 353 249 TRP N N 120.228 0.3 1 2218 353 249 TRP NE1 N 127.895 0.3 1 2219 354 250 LEU H H 8.190 0.020 1 2220 354 250 LEU HA H 4.091 0.020 1 2221 354 250 LEU HB2 H 1.671 0.020 2 2222 354 250 LEU HB3 H 1.483 0.020 2 2223 354 250 LEU HD1 H 0.460 0.020 1 2224 354 250 LEU HD2 H -0.206 0.020 1 2225 354 250 LEU HG H 0.603 0.020 1 2226 354 250 LEU C C 170.869 0.3 1 2227 354 250 LEU CA C 50.155 0.3 1 2228 354 250 LEU CB C 40.594 0.3 1 2229 354 250 LEU CD1 C 22.702 0.3 1 2230 354 250 LEU CD2 C 19.157 0.3 1 2231 354 250 LEU CG C 23.962 0.3 1 2232 354 250 LEU N N 124.719 0.3 1 2233 355 251 ILE H H 8.919 0.020 1 2234 355 251 ILE HA H 3.831 0.020 1 2235 355 251 ILE HB H 1.307 0.020 1 2236 355 251 ILE HD1 H -0.652 0.020 1 2237 355 251 ILE HG12 H 0.196 0.020 1 2238 355 251 ILE HG2 H 0.138 0.020 1 2239 355 251 ILE C C 172.152 0.3 1 2240 355 251 ILE CA C 55.842 0.3 1 2241 355 251 ILE CB C 34.628 0.3 1 2242 355 251 ILE CD1 C 7.499 0.3 1 2243 355 251 ILE CG1 C 23.653 0.3 1 2244 355 251 ILE CG2 C 14.104 0.3 1 2245 355 251 ILE N N 129.185 0.3 1 2246 356 252 SER H H 8.311 0.020 1 2247 356 252 SER HA H 5.093 0.020 1 2248 356 252 SER HB2 H 3.620 0.020 2 2249 356 252 SER HB3 H 3.435 0.020 2 2250 356 252 SER C C 172.663 0.3 1 2251 356 252 SER CA C 53.188 0.3 1 2252 356 252 SER CB C 61.426 0.3 1 2253 356 252 SER N N 122.409 0.3 1 2254 357 253 ASN H H 8.949 0.020 1 2255 357 253 ASN HA H 4.172 0.020 1 2256 357 253 ASN HB2 H 2.937 0.020 2 2257 357 253 ASN HB3 H 2.554 0.020 2 2258 357 253 ASN HD21 H 7.479 0.020 1 2259 357 253 ASN HD22 H 6.777 0.020 1 2260 357 253 ASN C C 171.660 0.3 1 2261 357 253 ASN CA C 52.319 0.3 1 2262 357 253 ASN CB C 34.842 0.3 1 2263 357 253 ASN N N 127.151 0.3 1 2264 357 253 ASN ND2 N 113.219 0.3 1 2265 358 254 LEU H H 9.196 0.020 1 2266 358 254 LEU HA H 3.437 0.020 1 2267 358 254 LEU HB2 H 1.998 0.020 2 2268 358 254 LEU HB3 H 1.737 0.020 2 2269 358 254 LEU HD1 H 0.786 0.020 1 2270 358 254 LEU HD2 H 0.760 0.020 1 2271 358 254 LEU HG H 1.511 0.020 1 2272 358 254 LEU C C 173.476 0.3 1 2273 358 254 LEU CA C 54.594 0.3 1 2274 358 254 LEU CB C 37.635 0.3 1 2275 358 254 LEU CD1 C 21.815 0.3 1 2276 358 254 LEU CD2 C 20.276 0.3 1 2277 358 254 LEU CG C 25.088 0.3 1 2278 358 254 LEU N N 108.343 0.3 1 2279 359 255 ARG H H 7.933 0.020 1 2280 359 255 ARG HA H 5.027 0.020 1 2281 359 255 ARG HB2 H 1.812 0.020 2 2282 359 255 ARG HB3 H 1.704 0.020 2 2283 359 255 ARG HD2 H 3.166 0.020 2 2284 359 255 ARG HD3 H 3.129 0.020 2 2285 359 255 ARG HG2 H 1.641 0.020 2 2286 359 255 ARG HG3 H 1.500 0.020 2 2287 359 255 ARG C C 172.400 0.3 1 2288 359 255 ARG CA C 50.171 0.3 1 2289 359 255 ARG CB C 29.139 0.3 1 2290 359 255 ARG CD C 40.461 0.3 1 2291 359 255 ARG CG C 23.859 0.3 1 2292 359 255 ARG N N 123.592 0.3 1 2293 360 256 PRO HA H 4.180 0.020 1 2294 360 256 PRO HB2 H 1.793 0.020 2 2295 360 256 PRO HB3 H 1.719 0.020 2 2296 360 256 PRO HD2 H 3.826 0.020 2 2297 360 256 PRO HD3 H 3.659 0.020 2 2298 360 256 PRO HG2 H 2.060 0.020 2 2299 360 256 PRO HG3 H 1.280 0.020 2 2300 360 256 PRO C C 174.003 0.3 1 2301 360 256 PRO CA C 60.525 0.3 1 2302 360 256 PRO CB C 28.579 0.3 1 2303 360 256 PRO CD C 48.503 0.3 1 2304 360 256 PRO CG C 24.679 0.3 1 2305 360 256 PRO N N 135.314 0.3 1 2306 361 257 GLU H H 7.985 0.020 1 2307 361 257 GLU HA H 4.486 0.020 1 2308 361 257 GLU HB2 H 2.134 0.020 2 2309 361 257 GLU HB3 H 1.589 0.020 2 2310 361 257 GLU HG2 H 2.044 0.020 2 2311 361 257 GLU HG3 H 1.927 0.020 2 2312 361 257 GLU C C 172.235 0.3 1 2313 361 257 GLU CA C 52.125 0.3 1 2314 361 257 GLU CB C 27.074 0.3 1 2315 361 257 GLU CG C 33.260 0.3 1 2316 361 257 GLU N N 126.471 0.3 1 2317 362 258 PRO HA H 4.269 0.020 1 2318 362 258 PRO HB2 H 2.125 0.020 2 2319 362 258 PRO HB3 H 1.825 0.020 2 2320 362 258 PRO HD2 H 3.171 0.020 2 2321 362 258 PRO HD3 H 2.850 0.020 2 2322 362 258 PRO HG2 H 1.891 0.020 2 2323 362 258 PRO HG3 H 1.528 0.020 2 2324 362 258 PRO C C 174.006 0.3 1 2325 362 258 PRO CA C 60.603 0.3 1 2326 362 258 PRO CB C 29.507 0.3 1 2327 362 258 PRO CD C 47.616 0.3 1 2328 362 258 PRO CG C 24.158 0.3 1 2329 362 258 PRO N N 133.356 0.3 1 2330 363 259 ASN H H 8.744 0.020 1 2331 363 259 ASN HA H 4.128 0.020 1 2332 363 259 ASN HB2 H 2.723 0.020 2 2333 363 259 ASN HB3 H 2.572 0.020 2 2334 363 259 ASN HD21 H 7.281 0.020 1 2335 363 259 ASN HD22 H 6.800 0.020 1 2336 363 259 ASN C C 169.864 0.3 1 2337 363 259 ASN CA C 51.741 0.3 1 2338 363 259 ASN CB C 33.601 0.3 1 2339 363 259 ASN N N 112.463 0.3 1 2340 363 259 ASN ND2 N 113.451 0.3 1 2341 364 260 TYR H H 7.157 0.020 1 2342 364 260 TYR HA H 3.606 0.020 1 2343 364 260 TYR HB2 H 2.723 0.020 2 2344 364 260 TYR HB3 H 2.555 0.020 2 2345 364 260 TYR C C 171.325 0.3 1 2346 364 260 TYR CA C 54.303 0.3 1 2347 364 260 TYR CB C 35.913 0.3 1 2348 364 260 TYR N N 116.089 0.3 1 2349 365 261 PRO HA H 4.010 0.020 1 2350 365 261 PRO HD2 H 2.799 0.020 2 2351 365 261 PRO HD3 H 2.720 0.020 2 2352 365 261 PRO HG2 H 1.036 0.020 2 2353 365 261 PRO C C 172.919 0.3 1 2354 365 261 PRO CA C 58.349 0.3 1 2355 365 261 PRO CB C 32.409 0.3 1 2356 365 261 PRO CD C 48.203 0.3 1 2357 365 261 PRO N N 137.686 0.3 1 2358 366 262 LYS H H 7.696 0.020 1 2359 366 262 LYS HA H 4.302 0.020 1 2360 366 262 LYS HB2 H 1.396 0.020 2 2361 366 262 LYS HD2 H 1.295 0.020 2 2362 366 262 LYS HD3 H 1.175 0.020 2 2363 366 262 LYS HE2 H 2.783 0.020 1 2364 366 262 LYS HG2 H 1.251 0.020 1 2365 366 262 LYS C C 171.643 0.3 1 2366 366 262 LYS CA C 51.701 0.3 1 2367 366 262 LYS CB C 33.870 0.3 1 2368 366 262 LYS CD C 25.412 0.3 1 2369 366 262 LYS CE C 39.321 0.3 1 2370 366 262 LYS CG C 21.266 0.3 1 2371 366 262 LYS N N 119.355 0.3 1 2372 367 263 SER H H 8.171 0.020 1 2373 367 263 SER HA H 4.212 0.020 1 2374 367 263 SER HB2 H 3.977 0.020 2 2375 367 263 SER HB3 H 3.701 0.020 2 2376 367 263 SER C C 176.515 0.3 1 2377 367 263 SER CA C 54.945 0.3 1 2378 367 263 SER CB C 61.198 0.3 1 2379 367 263 SER N N 111.671 0.3 1 2380 368 264 ILE H H 8.537 0.020 1 2381 368 264 ILE HA H 4.170 0.020 1 2382 368 264 ILE HB H 1.632 0.020 1 2383 368 264 ILE HD1 H -0.063 0.020 1 2384 368 264 ILE HG12 H 0.654 0.020 2 2385 368 264 ILE HG13 H 0.211 0.020 2 2386 368 264 ILE HG2 H 0.877 0.020 1 2387 368 264 ILE C C 174.354 0.3 1 2388 368 264 ILE CA C 62.372 0.3 1 2389 368 264 ILE CB C 37.870 0.3 1 2390 368 264 ILE CD1 C 9.873 0.3 1 2391 368 264 ILE CG1 C 20.686 0.3 1 2392 368 264 ILE CG2 C 15.244 0.3 1 2393 368 264 ILE N N 121.503 0.3 1 2394 369 265 HIS H H 8.241 0.020 1 2395 369 265 HIS HA H 4.047 0.020 1 2396 369 265 HIS HB2 H 3.236 0.020 2 2397 369 265 HIS HB3 H 2.873 0.020 2 2398 369 265 HIS C C 174.781 0.3 1 2399 369 265 HIS CA C 58.633 0.3 1 2400 369 265 HIS CB C 25.947 0.3 1 2401 369 265 HIS N N 121.082 0.3 1 2402 370 266 SER H H 7.928 0.020 1 2403 370 266 SER HA H 4.087 0.020 1 2404 370 266 SER HB2 H 3.813 0.020 2 2405 370 266 SER HB3 H 3.756 0.020 2 2406 370 266 SER C C 172.933 0.3 1 2407 370 266 SER CA C 58.664 0.3 1 2408 370 266 SER CB C 60.447 0.3 1 2409 370 266 SER N N 118.037 0.3 1 2410 371 267 PHE H H 7.495 0.020 1 2411 371 267 PHE HA H 3.666 0.020 1 2412 371 267 PHE HB2 H 2.240 0.020 2 2413 371 267 PHE HB3 H 1.834 0.020 2 2414 371 267 PHE C C 172.602 0.3 1 2415 371 267 PHE CA C 57.874 0.3 1 2416 371 267 PHE CB C 36.782 0.3 1 2417 371 267 PHE N N 117.625 0.3 1 2418 372 268 GLY H H 7.470 0.020 1 2419 372 268 GLY HA2 H 4.158 0.020 2 2420 372 268 GLY HA3 H 3.484 0.020 2 2421 372 268 GLY C C 172.299 0.3 1 2422 372 268 GLY CA C 41.374 0.3 1 2423 372 268 GLY N N 100.114 0.3 1 2424 373 269 PHE H H 5.839 0.020 1 2425 373 269 PHE HA H 3.524 0.020 1 2426 373 269 PHE HB2 H 2.286 0.020 2 2427 373 269 PHE HB3 H 1.805 0.020 2 2428 373 269 PHE C C 173.645 0.3 1 2429 373 269 PHE CA C 54.244 0.3 1 2430 373 269 PHE CB C 35.906 0.3 1 2431 373 269 PHE N N 115.334 0.3 1 2432 376 272 PHE H H 6.783 0.020 1 2433 376 272 PHE HA H 4.433 0.020 1 2434 376 272 PHE HB2 H 3.382 0.020 2 2435 376 272 PHE HB3 H 2.870 0.020 2 2436 376 272 PHE C C 172.921 0.3 1 2437 376 272 PHE CA C 54.517 0.3 1 2438 376 272 PHE CB C 34.654 0.3 1 2439 376 272 PHE N N 111.214 0.3 1 2440 377 273 VAL H H 7.164 0.020 1 2441 377 273 VAL HA H 3.583 0.020 1 2442 377 273 VAL HB H 1.452 0.020 1 2443 377 273 VAL HG1 H -0.157 0.020 1 2444 377 273 VAL HG2 H 0.136 0.020 1 2445 377 273 VAL C C 171.930 0.3 1 2446 377 273 VAL CA C 61.114 0.3 1 2447 377 273 VAL CB C 28.142 0.3 1 2448 377 273 VAL CG1 C 17.898 0.3 1 2449 377 273 VAL CG2 C 19.855 0.3 1 2450 377 273 VAL N N 124.925 0.3 1 2451 378 274 LYS H H 8.411 0.020 1 2452 378 274 LYS HA H 4.294 0.020 1 2453 378 274 LYS HB2 H 1.864 0.020 2 2454 378 274 LYS HB3 H 1.512 0.020 2 2455 378 274 LYS HD3 H 1.545 0.020 1 2456 378 274 LYS HG2 H 1.358 0.020 1 2457 378 274 LYS C C 171.675 0.3 1 2458 378 274 LYS CA C 51.978 0.3 1 2459 378 274 LYS CB C 30.905 0.3 1 2460 378 274 LYS CD C 25.566 0.3 1 2461 378 274 LYS CE C 39.436 0.3 1 2462 378 274 LYS CG C 21.260 0.3 1 2463 378 274 LYS N N 125.344 0.3 1 2464 379 275 LYS H H 7.132 0.020 1 2465 379 275 LYS HA H 4.394 0.020 1 2466 379 275 LYS HB2 H 1.882 0.020 1 2467 379 275 LYS HD2 H 1.572 0.020 1 2468 379 275 LYS HE2 H 2.909 0.020 1 2469 379 275 LYS HG2 H 1.127 0.020 2 2470 379 275 LYS HG3 H 1.059 0.020 2 2471 379 275 LYS C C 170.036 0.3 1 2472 379 275 LYS CA C 52.088 0.3 1 2473 379 275 LYS CB C 31.007 0.3 1 2474 379 275 LYS CD C 26.524 0.3 1 2475 379 275 LYS CE C 39.291 0.3 1 2476 379 275 LYS CG C 20.032 0.3 1 2477 379 275 LYS N N 114.392 0.3 1 2478 380 276 ILE H H 9.756 0.020 1 2479 380 276 ILE HA H 3.916 0.020 1 2480 380 276 ILE HB H 1.373 0.020 1 2481 380 276 ILE HD1 H -0.785 0.020 1 2482 380 276 ILE HG12 H 0.607 0.020 1 2483 380 276 ILE HG2 H 0.188 0.020 1 2484 380 276 ILE C C 172.037 0.3 1 2485 380 276 ILE CA C 55.657 0.3 1 2486 380 276 ILE CB C 34.910 0.3 1 2487 380 276 ILE CD1 C 7.668 0.3 1 2488 380 276 ILE CG1 C 23.746 0.3 1 2489 380 276 ILE CG2 C 15.235 0.3 1 2490 380 276 ILE N N 120.678 0.3 1 2491 381 277 ASP H H 8.398 0.020 1 2492 381 277 ASP HA H 4.892 0.020 1 2493 381 277 ASP HB2 H 2.773 0.020 2 2494 381 277 ASP HB3 H 3.318 0.020 2 2495 381 277 ASP C C 173.052 0.3 1 2496 381 277 ASP CA C 53.234 0.3 1 2497 381 277 ASP CB C 38.574 0.3 1 2498 381 277 ASP N N 121.434 0.3 1 2499 382 278 ALA H H 7.878 0.020 1 2500 382 278 ALA HA H 5.323 0.020 1 2501 382 278 ALA HB H 1.343 0.020 1 2502 382 278 ALA C C 172.094 0.3 1 2503 382 278 ALA CA C 49.450 0.3 1 2504 382 278 ALA CB C 19.190 0.3 1 2505 382 278 ALA N N 118.301 0.3 1 2506 383 279 ALA H H 8.858 0.020 1 2507 383 279 ALA HA H 5.500 0.020 1 2508 383 279 ALA HB H 0.842 0.020 1 2509 383 279 ALA C C 171.104 0.3 1 2510 383 279 ALA CA C 48.540 0.3 1 2511 383 279 ALA CB C 21.024 0.3 1 2512 383 279 ALA N N 124.277 0.3 1 2513 384 280 VAL H H 7.990 0.020 1 2514 384 280 VAL HA H 4.534 0.020 1 2515 384 280 VAL HB H 2.247 0.020 1 2516 384 280 VAL HG1 H 1.030 0.020 1 2517 384 280 VAL HG2 H 0.369 0.020 1 2518 384 280 VAL C C 167.743 0.3 1 2519 384 280 VAL CA C 58.416 0.3 1 2520 384 280 VAL CB C 30.657 0.3 1 2521 384 280 VAL CG1 C 20.637 0.3 1 2522 384 280 VAL CG2 C 15.252 0.3 1 2523 384 280 VAL N N 113.074 0.3 1 2524 385 281 PHE H H 8.972 0.020 1 2525 385 281 PHE HA H 5.088 0.020 1 2526 385 281 PHE HB2 H 3.322 0.020 1 2527 385 281 PHE C C 171.378 0.3 1 2528 385 281 PHE CA C 53.144 0.3 1 2529 385 281 PHE CB C 37.896 0.3 1 2530 385 281 PHE N N 129.217 0.3 1 2531 386 282 ASN H H 8.728 0.020 1 2532 386 282 ASN HA H 4.454 0.020 1 2533 386 282 ASN HB2 H 2.831 0.020 2 2534 386 282 ASN HB3 H 2.356 0.020 2 2535 386 282 ASN C C 172.300 0.3 1 2536 386 282 ASN CA C 45.509 0.3 1 2537 386 282 ASN CB C 37.038 0.3 1 2538 386 282 ASN N N 126.167 0.3 1 2539 387 283 PRO HA H 3.579 0.020 1 2540 387 283 PRO HB2 H 2.283 0.020 2 2541 387 283 PRO HB3 H 1.930 0.020 2 2542 387 283 PRO HD2 H 3.060 0.020 2 2543 387 283 PRO HD3 H 2.311 0.020 2 2544 387 283 PRO HG2 H 1.897 0.020 2 2545 387 283 PRO HG3 H 1.754 0.020 2 2546 387 283 PRO C C 174.455 0.3 1 2547 387 283 PRO CA C 60.864 0.3 1 2548 387 283 PRO CB C 29.521 0.3 1 2549 387 283 PRO CD C 47.950 0.3 1 2550 387 283 PRO CG C 23.837 0.3 1 2551 387 283 PRO N N 135.344 0.3 1 2552 388 284 ARG H H 7.559 0.020 1 2553 388 284 ARG HA H 3.905 0.020 1 2554 388 284 ARG HB2 H 1.402 0.020 2 2555 388 284 ARG HB3 H 1.319 0.020 2 2556 388 284 ARG HD2 H 3.130 0.020 2 2557 388 284 ARG HD3 H 2.936 0.020 2 2558 388 284 ARG HG2 H 1.244 0.020 1 2559 388 284 ARG C C 174.937 0.3 1 2560 388 284 ARG CA C 55.427 0.3 1 2561 388 284 ARG CB C 26.225 0.3 1 2562 388 284 ARG CD C 40.684 0.3 1 2563 388 284 ARG CG C 24.127 0.3 1 2564 388 284 ARG N N 117.712 0.3 1 2565 389 285 PHE H H 6.649 0.020 1 2566 389 285 PHE HA H 4.832 0.020 1 2567 389 285 PHE HB2 H 3.310 0.020 2 2568 389 285 PHE HB3 H 2.281 0.020 2 2569 389 285 PHE C C 172.191 0.3 1 2570 389 285 PHE CA C 51.909 0.3 1 2571 389 285 PHE CB C 37.042 0.3 1 2572 389 285 PHE N N 113.789 0.3 1 2573 390 286 TYR H H 8.301 0.020 1 2574 390 286 TYR HA H 3.638 0.020 1 2575 390 286 TYR HB2 H 3.682 0.020 2 2576 390 286 TYR HB3 H 2.734 0.020 2 2577 390 286 TYR C C 171.926 0.3 1 2578 390 286 TYR CA C 57.595 0.3 1 2579 390 286 TYR CB C 34.519 0.3 1 2580 390 286 TYR N N 123.626 0.3 1 2581 391 287 ARG H H 6.666 0.020 1 2582 391 287 ARG HA H 5.184 0.020 1 2583 391 287 ARG HB2 H 1.284 0.020 2 2584 391 287 ARG HB3 H 1.131 0.020 2 2585 391 287 ARG HD2 H 3.155 0.020 2 2586 391 287 ARG HD3 H 2.556 0.020 2 2587 391 287 ARG HG2 H 1.083 0.020 1 2588 391 287 ARG C C 170.756 0.3 1 2589 391 287 ARG CA C 50.037 0.3 1 2590 391 287 ARG CB C 32.947 0.3 1 2591 391 287 ARG CD C 40.514 0.3 1 2592 391 287 ARG CG C 24.278 0.3 1 2593 391 287 ARG N N 113.573 0.3 1 2594 392 288 THR H H 9.045 0.020 1 2595 392 288 THR HA H 4.689 0.020 1 2596 392 288 THR HB H 3.222 0.020 1 2597 392 288 THR HG2 H -1.186 0.020 1 2598 392 288 THR C C 169.889 0.3 1 2599 392 288 THR CA C 58.345 0.3 1 2600 392 288 THR CB C 66.011 0.3 1 2601 392 288 THR CG2 C 18.541 0.3 1 2602 392 288 THR N N 121.676 0.3 1 2603 393 289 TYR H H 8.801 0.020 1 2604 393 289 TYR HA H 4.676 0.020 1 2605 393 289 TYR HB2 H 2.540 0.020 2 2606 393 289 TYR HB3 H 2.015 0.020 2 2607 393 289 TYR C C 170.623 0.3 1 2608 393 289 TYR CA C 53.860 0.3 1 2609 393 289 TYR CB C 37.112 0.3 1 2610 393 289 TYR N N 125.949 0.3 1 2611 394 290 PHE H H 8.345 0.020 1 2612 394 290 PHE HA H 4.850 0.020 1 2613 394 290 PHE HB2 H 3.020 0.020 2 2614 394 290 PHE HB3 H 2.557 0.020 2 2615 394 290 PHE C C 171.753 0.3 1 2616 394 290 PHE CA C 53.457 0.3 1 2617 394 290 PHE CB C 40.498 0.3 1 2618 394 290 PHE N N 118.958 0.3 1 2619 395 291 PHE H H 8.871 0.020 1 2620 395 291 PHE HA H 4.947 0.020 1 2621 395 291 PHE HB2 H 3.137 0.020 2 2622 395 291 PHE HB3 H 2.739 0.020 2 2623 395 291 PHE C C 172.133 0.3 1 2624 395 291 PHE CA C 55.320 0.3 1 2625 395 291 PHE CB C 37.006 0.3 1 2626 395 291 PHE N N 122.434 0.3 1 2627 396 292 VAL H H 9.532 0.020 1 2628 396 292 VAL HA H 4.068 0.020 1 2629 396 292 VAL HB H 2.429 0.020 1 2630 396 292 VAL HG1 H 0.702 0.020 1 2631 396 292 VAL HG2 H 1.010 0.020 1 2632 396 292 VAL C C 172.445 0.3 1 2633 396 292 VAL CA C 59.627 0.3 1 2634 396 292 VAL CB C 32.587 0.3 1 2635 396 292 VAL CG1 C 17.535 0.3 1 2636 396 292 VAL CG2 C 18.530 0.3 1 2637 396 292 VAL N N 124.488 0.3 1 2638 397 293 ASP H H 9.504 0.020 1 2639 397 293 ASP HA H 4.087 0.020 1 2640 397 293 ASP HB2 H 2.953 0.020 1 2641 397 293 ASP C C 171.015 0.3 1 2642 397 293 ASP CA C 54.248 0.3 1 2643 397 293 ASP CB C 36.870 0.3 1 2644 397 293 ASP N N 131.264 0.3 1 2645 398 294 ASN H H 8.169 0.020 1 2646 398 294 ASN HA H 5.456 0.020 1 2647 398 294 ASN HB2 H 3.131 0.020 2 2648 398 294 ASN HB3 H 2.777 0.020 2 2649 398 294 ASN HD21 H 7.351 0.020 1 2650 398 294 ASN HD22 H 6.858 0.020 1 2651 398 294 ASN C C 173.511 0.3 1 2652 398 294 ASN CA C 50.660 0.3 1 2653 398 294 ASN CB C 35.569 0.3 1 2654 398 294 ASN N N 117.670 0.3 1 2655 398 294 ASN ND2 N 110.481 0.3 1 2656 399 295 GLN H H 8.615 0.020 1 2657 399 295 GLN HA H 5.574 0.020 1 2658 399 295 GLN HB2 H 1.944 0.020 2 2659 399 295 GLN HB3 H 1.858 0.020 2 2660 399 295 GLN HE21 H 8.246 0.020 1 2661 399 295 GLN HE22 H 6.734 0.020 1 2662 399 295 GLN HG2 H 2.962 0.020 1 2663 399 295 GLN C C 170.540 0.3 1 2664 399 295 GLN CA C 52.156 0.3 1 2665 399 295 GLN CB C 32.329 0.3 1 2666 399 295 GLN CG C 39.225 0.3 1 2667 399 295 GLN N N 121.123 0.3 1 2668 399 295 GLN NE2 N 109.479 0.3 1 2669 400 296 TYR H H 8.937 0.020 1 2670 400 296 TYR HA H 5.566 0.020 1 2671 400 296 TYR HB2 H 2.672 0.020 2 2672 400 296 TYR HB3 H 2.205 0.020 2 2673 400 296 TYR C C 169.462 0.3 1 2674 400 296 TYR CA C 53.697 0.3 1 2675 400 296 TYR CB C 39.567 0.3 1 2676 400 296 TYR N N 114.095 0.3 1 2677 401 297 TRP H H 9.249 0.020 1 2678 401 297 TRP HA H 4.234 0.020 1 2679 401 297 TRP HB2 H 3.574 0.020 2 2680 401 297 TRP HB3 H 2.839 0.020 2 2681 401 297 TRP HE1 H 10.312 0.020 1 2682 401 297 TRP C C 173.659 0.3 1 2683 401 297 TRP CA C 55.596 0.3 1 2684 401 297 TRP CB C 32.375 0.3 1 2685 401 297 TRP N N 121.497 0.3 1 2686 401 297 TRP NE1 N 128.083 0.3 1 2687 403 299 TYR H H 9.516 0.020 1 2688 403 299 TYR HA H 4.486 0.020 1 2689 403 299 TYR HB2 H 2.606 0.020 1 2690 403 299 TYR C C 171.115 0.3 1 2691 403 299 TYR CA C 55.129 0.3 1 2692 403 299 TYR CB C 40.636 0.3 1 2693 403 299 TYR N N 129.296 0.3 1 2694 404 300 ASP H H 8.161 0.020 1 2695 404 300 ASP HA H 4.469 0.020 1 2696 404 300 ASP HB2 H 2.932 0.020 2 2697 404 300 ASP HB3 H 2.608 0.020 2 2698 404 300 ASP C C 173.891 0.3 1 2699 404 300 ASP CA C 50.635 0.3 1 2700 404 300 ASP CB C 37.782 0.3 1 2701 404 300 ASP N N 126.932 0.3 1 2702 405 301 GLU H H 7.369 0.020 1 2703 405 301 GLU HA H 4.393 0.020 1 2704 405 301 GLU HB2 H 1.980 0.020 1 2705 405 301 GLU HG2 H 2.217 0.020 1 2706 405 301 GLU C C 176.212 0.3 1 2707 405 301 GLU CA C 55.050 0.3 1 2708 405 301 GLU CB C 26.968 0.3 1 2709 405 301 GLU CG C 31.069 0.3 1 2710 405 301 GLU N N 123.517 0.3 1 2711 406 302 ARG H H 8.829 0.020 1 2712 406 302 ARG HA H 4.179 0.020 1 2713 406 302 ARG HB2 H 1.861 0.020 2 2714 406 302 ARG HB3 H 1.770 0.020 2 2715 406 302 ARG HD2 H 2.911 0.020 2 2716 406 302 ARG HD3 H 2.798 0.020 2 2717 406 302 ARG HG2 H 1.562 0.020 2 2718 406 302 ARG HG3 H 1.315 0.020 2 2719 406 302 ARG C C 175.313 0.3 1 2720 406 302 ARG CA C 56.287 0.3 1 2721 406 302 ARG CB C 26.884 0.3 1 2722 406 302 ARG CD C 40.360 0.3 1 2723 406 302 ARG CG C 25.044 0.3 1 2724 406 302 ARG N N 119.531 0.3 1 2725 407 303 ARG H H 7.286 0.020 1 2726 407 303 ARG HA H 4.003 0.020 1 2727 407 303 ARG HB2 H 1.857 0.020 2 2728 407 303 ARG HB3 H 1.147 0.020 2 2729 407 303 ARG HD2 H 3.061 0.020 1 2730 407 303 ARG HG2 H 1.586 0.020 2 2731 407 303 ARG HG3 H 1.378 0.020 2 2732 407 303 ARG C C 172.531 0.3 1 2733 407 303 ARG CA C 53.439 0.3 1 2734 407 303 ARG CB C 28.415 0.3 1 2735 407 303 ARG CD C 40.333 0.3 1 2736 407 303 ARG CG C 25.324 0.3 1 2737 407 303 ARG N N 116.581 0.3 1 2738 408 304 GLN H H 7.804 0.020 1 2739 408 304 GLN HA H 3.357 0.020 1 2740 408 304 GLN HB2 H 2.114 0.020 2 2741 408 304 GLN HB3 H 1.895 0.020 2 2742 408 304 GLN HE21 H 7.763 0.020 1 2743 408 304 GLN HE22 H 6.714 0.020 1 2744 408 304 GLN HG2 H 2.097 0.020 1 2745 408 304 GLN C C 171.228 0.3 1 2746 408 304 GLN CA C 54.052 0.3 1 2747 408 304 GLN CB C 22.816 0.3 1 2748 408 304 GLN CG C 31.793 0.3 1 2749 408 304 GLN N N 115.372 0.3 1 2750 408 304 GLN NE2 N 113.965 0.3 1 2751 409 305 MET H H 6.723 0.020 1 2752 409 305 MET HA H 4.532 0.020 1 2753 409 305 MET HB2 H 1.848 0.020 2 2754 409 305 MET HB3 H 1.576 0.020 2 2755 409 305 MET HG2 H 2.221 0.020 1 2756 409 305 MET C C 171.577 0.3 1 2757 409 305 MET CA C 51.451 0.3 1 2758 409 305 MET CB C 34.187 0.3 1 2759 409 305 MET CG C 27.892 0.3 1 2760 409 305 MET N N 113.435 0.3 1 2761 410 306 MET H H 8.849 0.020 1 2762 410 306 MET HA H 4.489 0.020 1 2763 410 306 MET HB2 H 2.138 0.020 2 2764 410 306 MET HB3 H 2.013 0.020 2 2765 410 306 MET HG2 H 1.580 0.020 1 2766 410 306 MET C C 174.358 0.3 1 2767 410 306 MET CA C 52.636 0.3 1 2768 410 306 MET CB C 29.266 0.3 1 2769 410 306 MET CG C 24.072 0.3 1 2770 410 306 MET N N 122.215 0.3 1 2771 411 307 ASP H H 8.482 0.020 1 2772 411 307 ASP HA H 4.882 0.020 1 2773 411 307 ASP HB2 H 2.883 0.020 2 2774 411 307 ASP HB3 H 2.379 0.020 2 2775 411 307 ASP CA C 51.112 0.3 1 2776 411 307 ASP CB C 37.691 0.3 1 2777 411 307 ASP N N 125.927 0.3 1 2778 412 308 PRO HA H 4.510 0.020 1 2779 412 308 PRO HB2 H 2.200 0.020 2 2780 412 308 PRO HB3 H 1.819 0.020 2 2781 412 308 PRO HD2 H 3.625 0.020 1 2782 412 308 PRO HG2 H 1.952 0.020 2 2783 412 308 PRO HG3 H 1.541 0.020 2 2784 412 308 PRO C C 174.874 0.3 1 2785 412 308 PRO CA C 59.934 0.3 1 2786 412 308 PRO CB C 29.182 0.3 1 2787 412 308 PRO CD C 47.884 0.3 1 2788 412 308 PRO CG C 24.052 0.3 1 2789 413 309 GLY H H 8.509 0.020 1 2790 413 309 GLY HA2 H 3.698 0.020 2 2791 413 309 GLY HA3 H 3.386 0.020 2 2792 413 309 GLY C C 170.169 0.3 1 2793 413 309 GLY CA C 42.570 0.3 1 2794 413 309 GLY N N 107.310 0.3 1 2795 414 310 TYR H H 7.605 0.020 1 2796 414 310 TYR HA H 3.723 0.020 1 2797 414 310 TYR HB2 H 2.221 0.020 2 2798 414 310 TYR HB3 H 1.919 0.020 2 2799 414 310 TYR C C 170.719 0.3 1 2800 414 310 TYR CA C 54.230 0.3 1 2801 414 310 TYR CB C 35.879 0.3 1 2802 414 310 TYR N N 117.792 0.3 1 2803 415 311 PRO HA H 3.947 0.020 1 2804 415 311 PRO C C 172.828 0.3 1 2805 415 311 PRO CA C 58.367 0.3 1 2806 415 311 PRO CB C 29.521 0.3 1 2807 415 311 PRO N N 138.885 0.3 1 2808 416 312 LYS H H 7.616 0.020 1 2809 416 312 LYS HA H 4.380 0.020 1 2810 416 312 LYS HB2 H 1.609 0.020 2 2811 416 312 LYS HD2 H 1.009 0.020 1 2812 416 312 LYS HE2 H 2.350 0.020 2 2813 416 312 LYS HG2 H 0.953 0.020 1 2814 416 312 LYS C C 172.374 0.3 1 2815 416 312 LYS CA C 51.875 0.3 1 2816 416 312 LYS CB C 34.839 0.3 1 2817 416 312 LYS CD C 26.078 0.3 1 2818 416 312 LYS CE C 39.150 0.3 1 2819 416 312 LYS CG C 22.879 0.3 1 2820 416 312 LYS N N 117.621 0.3 1 2821 417 313 LEU H H 8.505 0.020 1 2822 417 313 LEU HA H 4.712 0.020 1 2823 417 313 LEU HB2 H 1.652 0.020 2 2824 417 313 LEU HB3 H 1.550 0.020 2 2825 417 313 LEU HD1 H 0.791 0.020 1 2826 417 313 LEU HD2 H 0.757 0.020 1 2827 417 313 LEU HG H 1.516 0.020 1 2828 417 313 LEU C C 176.920 0.3 1 2829 417 313 LEU CA C 52.261 0.3 1 2830 417 313 LEU CB C 39.789 0.3 1 2831 417 313 LEU CD1 C 22.193 0.3 1 2832 417 313 LEU CD2 C 20.330 0.3 1 2833 417 313 LEU CG C 24.038 0.3 1 2834 417 313 LEU N N 118.996 0.3 1 2835 418 314 ILE H H 8.637 0.020 1 2836 418 314 ILE HA H 3.936 0.020 1 2837 418 314 ILE HB H 1.982 0.020 1 2838 418 314 ILE HD1 H 1.261 0.020 1 2839 418 314 ILE HG12 H 0.940 0.020 1 2840 418 314 ILE HG2 H 0.764 0.020 1 2841 418 314 ILE C C 175.966 0.3 1 2842 418 314 ILE CA C 64.455 0.3 1 2843 418 314 ILE CB C 36.581 0.3 1 2844 418 314 ILE CD1 C 12.809 0.3 1 2845 418 314 ILE CG1 C 27.868 0.3 1 2846 418 314 ILE CG2 C 13.956 0.3 1 2847 418 314 ILE N N 126.162 0.3 1 2848 419 315 THR H H 9.098 0.020 1 2849 419 315 THR HA H 4.114 0.020 1 2850 419 315 THR HB H 4.157 0.020 1 2851 419 315 THR HG2 H 1.304 0.020 1 2852 419 315 THR C C 173.744 0.3 1 2853 419 315 THR CA C 61.820 0.3 1 2854 419 315 THR CB C 66.135 0.3 1 2855 419 315 THR CG2 C 18.363 0.3 1 2856 419 315 THR N N 109.090 0.3 1 2857 420 316 LYS H H 6.326 0.020 1 2858 420 316 LYS HA H 4.180 0.020 1 2859 420 316 LYS HB2 H 1.660 0.020 1 2860 420 316 LYS HD2 H 1.617 0.020 1 2861 420 316 LYS HE2 H 2.880 0.020 1 2862 420 316 LYS HG2 H 1.435 0.020 2 2863 420 316 LYS HG3 H 1.300 0.020 2 2864 420 316 LYS C C 173.380 0.3 1 2865 420 316 LYS CA C 53.582 0.3 1 2866 420 316 LYS CB C 30.451 0.3 1 2867 420 316 LYS CD C 25.839 0.3 1 2868 420 316 LYS CE C 39.339 0.3 1 2869 420 316 LYS CG C 22.025 0.3 1 2870 420 316 LYS N N 115.616 0.3 1 2871 421 317 ASN H H 7.277 0.020 1 2872 421 317 ASN HA H 4.561 0.020 1 2873 421 317 ASN HB2 H 2.471 0.020 2 2874 421 317 ASN HB3 H 2.278 0.020 2 2875 421 317 ASN C C 170.364 0.3 1 2876 421 317 ASN CA C 52.129 0.3 1 2877 421 317 ASN CB C 41.318 0.3 1 2878 421 317 ASN N N 115.985 0.3 1 2879 422 318 PHE H H 8.206 0.020 1 2880 422 318 PHE HA H 4.416 0.020 1 2881 422 318 PHE HB2 H 2.308 0.020 1 2882 422 318 PHE C C 170.755 0.3 1 2883 422 318 PHE CA C 53.193 0.3 1 2884 422 318 PHE CB C 35.246 0.3 1 2885 422 318 PHE N N 121.411 0.3 1 2886 423 319 GLN H H 7.913 0.020 1 2887 423 319 GLN HA H 3.814 0.020 1 2888 423 319 GLN HB2 H 2.008 0.020 1 2889 423 319 GLN HE21 H 7.467 0.020 1 2890 423 319 GLN HE22 H 6.681 0.020 1 2891 423 319 GLN HG2 H 2.316 0.020 2 2892 423 319 GLN HG3 H 2.211 0.020 2 2893 423 319 GLN C C 174.268 0.3 1 2894 423 319 GLN CA C 55.555 0.3 1 2895 423 319 GLN CB C 25.414 0.3 1 2896 423 319 GLN CG C 31.010 0.3 1 2897 423 319 GLN N N 120.885 0.3 1 2898 423 319 GLN NE2 N 111.530 0.3 1 2899 424 320 GLY H H 8.735 0.020 1 2900 424 320 GLY HA2 H 3.995 0.020 2 2901 424 320 GLY HA3 H 3.346 0.020 2 2902 424 320 GLY C C 170.455 0.3 1 2903 424 320 GLY CA C 42.319 0.3 1 2904 424 320 GLY N N 113.946 0.3 1 2905 425 321 ILE H H 7.593 0.020 1 2906 425 321 ILE HA H 3.613 0.020 1 2907 425 321 ILE HB H 1.300 0.020 1 2908 425 321 ILE HD1 H -0.110 0.020 1 2909 425 321 ILE HG12 H 0.669 0.020 2 2910 425 321 ILE HG13 H 0.499 0.020 2 2911 425 321 ILE HG2 H -0.789 0.020 1 2912 425 321 ILE C C 172.488 0.3 1 2913 425 321 ILE CA C 53.828 0.3 1 2914 425 321 ILE CB C 32.594 0.3 1 2915 425 321 ILE CD1 C 6.198 0.3 1 2916 425 321 ILE CG1 C 22.748 0.3 1 2917 425 321 ILE CG2 C 12.961 0.3 1 2918 425 321 ILE N N 123.017 0.3 1 2919 426 322 GLY H H 8.784 0.020 1 2920 426 322 GLY HA2 H 3.682 0.020 2 2921 426 322 GLY HA3 H 2.888 0.020 2 2922 426 322 GLY CA C 40.186 0.3 1 2923 426 322 GLY N N 110.945 0.3 1 2924 427 323 PRO HA H 4.111 0.020 1 2925 427 323 PRO HB2 H 2.207 0.020 2 2926 427 323 PRO HB3 H 2.123 0.020 2 2927 427 323 PRO HD2 H 3.446 0.020 2 2928 427 323 PRO HD3 H 3.331 0.020 2 2929 427 323 PRO HG2 H 1.782 0.020 2 2930 427 323 PRO HG3 H 1.683 0.020 2 2931 427 323 PRO C C 170.208 0.3 1 2932 427 323 PRO CA C 61.982 0.3 1 2933 427 323 PRO CB C 32.005 0.3 1 2934 427 323 PRO CD C 47.729 0.3 1 2935 427 323 PRO CG C 21.788 0.3 1 2936 428 324 LYS H H 7.445 0.020 1 2937 428 324 LYS HA H 4.697 0.020 1 2938 428 324 LYS HB2 H 1.727 0.020 2 2939 428 324 LYS HB3 H 1.520 0.020 2 2940 428 324 LYS HD2 H 1.716 0.020 1 2941 428 324 LYS HE2 H 2.894 0.020 1 2942 428 324 LYS HG2 H 1.281 0.020 1 2943 428 324 LYS C C 172.941 0.3 1 2944 428 324 LYS CA C 51.906 0.3 1 2945 428 324 LYS CB C 31.702 0.3 1 2946 428 324 LYS CD C 25.765 0.3 1 2947 428 324 LYS CE C 39.597 0.3 1 2948 428 324 LYS CG C 21.985 0.3 1 2949 428 324 LYS N N 118.129 0.3 1 2950 429 325 ILE H H 10.160 0.020 1 2951 429 325 ILE HA H 4.218 0.020 1 2952 429 325 ILE HB H 1.751 0.020 1 2953 429 325 ILE HD1 H -0.085 0.020 1 2954 429 325 ILE HG12 H 1.033 0.020 2 2955 429 325 ILE HG13 H 0.708 0.020 2 2956 429 325 ILE HG2 H 0.548 0.020 1 2957 429 325 ILE C C 172.723 0.3 1 2958 429 325 ILE CA C 56.955 0.3 1 2959 429 325 ILE CB C 37.075 0.3 1 2960 429 325 ILE CD1 C 9.861 0.3 1 2961 429 325 ILE CG1 C 23.679 0.3 1 2962 429 325 ILE CG2 C 16.034 0.3 1 2963 429 325 ILE N N 127.116 0.3 1 2964 430 326 ASP H H 8.764 0.020 1 2965 430 326 ASP HA H 5.262 0.020 1 2966 430 326 ASP HB2 H 3.320 0.020 2 2967 430 326 ASP HB3 H 2.820 0.020 2 2968 430 326 ASP C C 173.669 0.3 1 2969 430 326 ASP CA C 52.763 0.3 1 2970 430 326 ASP CB C 38.467 0.3 1 2971 430 326 ASP N N 123.182 0.3 1 2972 431 327 ALA H H 7.829 0.020 1 2973 431 327 ALA HB H 1.385 0.020 1 2974 431 327 ALA C C 171.965 0.3 1 2975 431 327 ALA CA C 48.696 0.3 1 2976 431 327 ALA CB C 20.105 0.3 1 2977 431 327 ALA N N 119.318 0.3 1 2978 432 328 VAL H H 8.485 0.020 1 2979 432 328 VAL HA H 5.830 0.020 1 2980 432 328 VAL HB H 1.881 0.020 1 2981 432 328 VAL HG1 H -0.299 0.020 1 2982 432 328 VAL HG2 H 0.451 0.020 1 2983 432 328 VAL C C 168.811 0.3 1 2984 432 328 VAL CA C 56.928 0.3 1 2985 432 328 VAL CB C 29.488 0.3 1 2986 432 328 VAL CG1 C 17.971 0.3 1 2987 432 328 VAL CG2 C 15.315 0.3 1 2988 432 328 VAL N N 119.001 0.3 1 2989 433 329 PHE H H 7.925 0.020 1 2990 433 329 PHE HA H 5.157 0.020 1 2991 433 329 PHE HB2 H 3.468 0.020 1 2992 433 329 PHE C C 168.025 0.3 1 2993 433 329 PHE CA C 53.790 0.3 1 2994 433 329 PHE CB C 38.903 0.3 1 2995 433 329 PHE N N 119.249 0.3 1 2996 434 330 TYR H H 9.393 0.020 1 2997 434 330 TYR HA H 5.265 0.020 1 2998 434 330 TYR HB2 H 3.320 0.020 2 2999 434 330 TYR HB3 H 2.884 0.020 2 3000 434 330 TYR C C 171.931 0.3 1 3001 434 330 TYR CA C 53.441 0.3 1 3002 434 330 TYR CB C 39.524 0.3 1 3003 434 330 TYR N N 124.509 0.3 1 3004 435 331 SER H H 8.498 0.020 1 3005 435 331 SER HA H 4.394 0.020 1 3006 435 331 SER HB2 H 3.953 0.020 2 3007 435 331 SER HB3 H 3.637 0.020 2 3008 435 331 SER C C 170.581 0.3 1 3009 435 331 SER CA C 55.167 0.3 1 3010 435 331 SER CB C 63.399 0.3 1 3011 435 331 SER N N 118.837 0.3 1 3012 436 332 LYS H H 8.594 0.020 1 3013 436 332 LYS HA H 3.850 0.020 1 3014 436 332 LYS HB2 H 2.046 0.020 2 3015 436 332 LYS HB3 H 1.981 0.020 2 3016 436 332 LYS HD2 H 1.969 0.020 1 3017 436 332 LYS HE2 H 2.979 0.020 1 3018 436 332 LYS HG2 H 1.636 0.020 2 3019 436 332 LYS HG3 H 1.474 0.020 2 3020 436 332 LYS C C 173.310 0.3 1 3021 436 332 LYS CA C 54.948 0.3 1 3022 436 332 LYS CB C 27.766 0.3 1 3023 436 332 LYS CD C 25.056 0.3 1 3024 436 332 LYS CE C 39.728 0.3 1 3025 436 332 LYS CG C 22.693 0.3 1 3026 436 332 LYS N N 119.821 0.3 1 3027 437 333 ASN H H 7.932 0.020 1 3028 437 333 ASN HA H 4.499 0.020 1 3029 437 333 ASN HB2 H 2.868 0.020 1 3030 437 333 ASN HD21 H 7.561 0.020 1 3031 437 333 ASN HD22 H 6.982 0.020 1 3032 437 333 ASN C C 172.526 0.3 1 3033 437 333 ASN CA C 53.187 0.3 1 3034 437 333 ASN CB C 35.766 0.3 1 3035 437 333 ASN N N 111.597 0.3 1 3036 437 333 ASN ND2 N 113.405 0.3 1 3037 438 334 LYS H H 7.528 0.020 1 3038 438 334 LYS HA H 3.626 0.020 1 3039 438 334 LYS HB2 H 0.921 0.020 2 3040 438 334 LYS HB3 H 0.781 0.020 2 3041 438 334 LYS HD2 H 1.223 0.020 2 3042 438 334 LYS HD3 H 1.155 0.020 2 3043 438 334 LYS HE2 H 2.597 0.020 1 3044 438 334 LYS HG2 H 0.429 0.020 2 3045 438 334 LYS HG3 H 0.138 0.020 2 3046 438 334 LYS C C 169.742 0.3 1 3047 438 334 LYS CA C 54.365 0.3 1 3048 438 334 LYS CB C 31.546 0.3 1 3049 438 334 LYS CD C 26.758 0.3 1 3050 438 334 LYS CE C 39.160 0.3 1 3051 438 334 LYS CG C 20.320 0.3 1 3052 438 334 LYS N N 115.169 0.3 1 3053 439 335 TYR H H 7.242 0.020 1 3054 439 335 TYR HA H 5.523 0.020 1 3055 439 335 TYR HB2 H 2.464 0.020 2 3056 439 335 TYR HB3 H 2.164 0.020 2 3057 439 335 TYR C C 173.996 0.3 1 3058 439 335 TYR CA C 53.070 0.3 1 3059 439 335 TYR CB C 39.784 0.3 1 3060 439 335 TYR N N 114.382 0.3 1 3061 440 336 TYR H H 9.071 0.020 1 3062 440 336 TYR HA H 5.490 0.020 1 3063 440 336 TYR HB2 H 2.578 0.020 2 3064 440 336 TYR HB3 H 2.161 0.020 2 3065 440 336 TYR C C 172.101 0.3 1 3066 440 336 TYR CA C 51.306 0.3 1 3067 440 336 TYR CB C 38.528 0.3 1 3068 440 336 TYR N N 116.309 0.3 1 3069 441 337 TYR H H 8.413 0.020 1 3070 441 337 TYR HA H 4.681 0.020 1 3071 441 337 TYR HB2 H 2.742 0.020 2 3072 441 337 TYR HB3 H 2.647 0.020 2 3073 441 337 TYR C C 172.185 0.3 1 3074 441 337 TYR CA C 55.157 0.3 1 3075 441 337 TYR CB C 35.855 0.3 1 3076 441 337 TYR N N 120.714 0.3 1 3077 442 338 PHE H H 8.702 0.020 1 3078 442 338 PHE HA H 4.700 0.020 1 3079 442 338 PHE HB2 H 2.798 0.020 1 3080 442 338 PHE C C 172.878 0.3 1 3081 442 338 PHE CA C 54.848 0.3 1 3082 442 338 PHE CB C 40.488 0.3 1 3083 442 338 PHE N N 119.516 0.3 1 3084 443 339 PHE H H 9.171 0.020 1 3085 443 339 PHE HA H 4.935 0.020 1 3086 443 339 PHE HB2 H 3.786 0.020 2 3087 443 339 PHE HB3 H 3.054 0.020 2 3088 443 339 PHE C C 172.886 0.3 1 3089 443 339 PHE CA C 55.234 0.3 1 3090 443 339 PHE CB C 37.513 0.3 1 3091 443 339 PHE N N 119.790 0.3 1 3092 444 340 GLN H H 9.173 0.020 1 3093 444 340 GLN HA H 4.666 0.020 1 3094 444 340 GLN HB2 H 2.217 0.020 1 3095 444 340 GLN HE21 H 7.074 0.020 1 3096 444 340 GLN HE22 H 6.859 0.020 1 3097 444 340 GLN HG2 H 2.464 0.020 1 3098 444 340 GLN C C 172.266 0.3 1 3099 444 340 GLN CA C 52.208 0.3 1 3100 444 340 GLN CB C 27.916 0.3 1 3101 444 340 GLN CG C 31.979 0.3 1 3102 444 340 GLN N N 123.937 0.3 1 3103 444 340 GLN NE2 N 107.303 0.3 1 3104 445 341 GLY H H 9.314 0.020 1 3105 445 341 GLY HA2 H 4.062 0.020 2 3106 445 341 GLY HA3 H 3.641 0.020 2 3107 445 341 GLY C C 172.069 0.3 1 3108 445 341 GLY CA C 44.008 0.3 1 3109 445 341 GLY N N 117.860 0.3 1 3110 446 342 SER H H 8.754 0.020 1 3111 446 342 SER HA H 4.702 0.020 1 3112 446 342 SER HB2 H 3.958 0.020 2 3113 446 342 SER HB3 H 3.844 0.020 2 3114 446 342 SER C C 171.577 0.3 1 3115 446 342 SER CA C 55.642 0.3 1 3116 446 342 SER CB C 60.922 0.3 1 3117 446 342 SER N N 121.254 0.3 1 3118 447 343 ASN H H 8.009 0.020 1 3119 447 343 ASN HA H 4.828 0.020 1 3120 447 343 ASN HB2 H 2.808 0.020 2 3121 447 343 ASN HB3 H 2.035 0.020 2 3122 447 343 ASN HD21 H 7.701 0.020 1 3123 447 343 ASN HD22 H 6.964 0.020 1 3124 447 343 ASN C C 168.587 0.3 1 3125 447 343 ASN CA C 50.007 0.3 1 3126 447 343 ASN CB C 38.769 0.3 1 3127 447 343 ASN N N 120.821 0.3 1 3128 447 343 ASN ND2 N 114.952 0.3 1 3129 448 344 GLN H H 7.946 0.020 1 3130 448 344 GLN HA H 4.955 0.020 1 3131 448 344 GLN HB2 H 0.994 0.020 1 3132 448 344 GLN HE21 H 7.608 0.020 1 3133 448 344 GLN HE22 H 6.679 0.020 1 3134 448 344 GLN HG2 H 1.385 0.020 2 3135 448 344 GLN HG3 H 0.826 0.020 2 3136 448 344 GLN C C 174.327 0.3 1 3137 448 344 GLN CA C 49.262 0.3 1 3138 448 344 GLN CB C 28.662 0.3 1 3139 448 344 GLN CG C 30.941 0.3 1 3140 448 344 GLN N N 121.387 0.3 1 3141 448 344 GLN NE2 N 109.224 0.3 1 3142 449 345 PHE H H 9.205 0.020 1 3143 449 345 PHE HA H 4.979 0.020 1 3144 449 345 PHE HB2 H 2.562 0.020 1 3145 449 345 PHE C C 171.894 0.3 1 3146 449 345 PHE CA C 53.098 0.3 1 3147 449 345 PHE CB C 39.428 0.3 1 3148 449 345 PHE N N 124.993 0.3 1 3149 450 346 GLU H H 8.671 0.020 1 3150 450 346 GLU HA H 4.001 0.020 1 3151 450 346 GLU HB2 H 1.563 0.020 2 3152 450 346 GLU HB3 H 1.334 0.020 2 3153 450 346 GLU HG2 H 1.465 0.020 2 3154 450 346 GLU HG3 H 0.811 0.020 2 3155 450 346 GLU C C 170.802 0.3 1 3156 450 346 GLU CA C 53.260 0.3 1 3157 450 346 GLU CB C 30.158 0.3 1 3158 450 346 GLU CG C 34.503 0.3 1 3159 450 346 GLU N N 125.801 0.3 1 3160 451 347 TYR H H 9.546 0.020 1 3161 451 347 TYR HA H 4.946 0.020 1 3162 451 347 TYR HB2 H 3.533 0.020 2 3163 451 347 TYR HB3 H 2.583 0.020 2 3164 451 347 TYR C C 171.020 0.3 1 3165 451 347 TYR CA C 54.571 0.3 1 3166 451 347 TYR CB C 39.941 0.3 1 3167 451 347 TYR N N 130.514 0.3 1 3168 452 348 ASP H H 8.131 0.020 1 3169 452 348 ASP HA H 4.691 0.020 1 3170 452 348 ASP HB2 H 2.561 0.020 2 3171 452 348 ASP HB3 H 2.429 0.020 2 3172 452 348 ASP C C 174.238 0.3 1 3173 452 348 ASP CA C 49.999 0.3 1 3174 452 348 ASP CB C 39.754 0.3 1 3175 452 348 ASP N N 128.779 0.3 1 3176 453 349 PHE H H 7.466 0.020 1 3177 453 349 PHE HA H 4.531 0.020 1 3178 453 349 PHE HB2 H 3.579 0.020 2 3179 453 349 PHE HB3 H 2.413 0.020 2 3180 453 349 PHE C C 173.042 0.3 1 3181 453 349 PHE CA C 55.477 0.3 1 3182 453 349 PHE CB C 35.442 0.3 1 3183 453 349 PHE N N 122.126 0.3 1 3184 454 350 LEU H H 8.378 0.020 1 3185 454 350 LEU HA H 4.350 0.020 1 3186 454 350 LEU HB2 H 1.745 0.020 2 3187 454 350 LEU HB3 H 1.263 0.020 2 3188 454 350 LEU HD1 H 0.693 0.020 1 3189 454 350 LEU HD2 H 0.813 0.020 1 3190 454 350 LEU HG H 1.199 0.020 1 3191 454 350 LEU C C 176.437 0.3 1 3192 454 350 LEU CA C 54.052 0.3 1 3193 454 350 LEU CB C 37.963 0.3 1 3194 454 350 LEU CD1 C 22.375 0.3 1 3195 454 350 LEU CD2 C 19.906 0.3 1 3196 454 350 LEU CG C 23.539 0.3 1 3197 454 350 LEU N N 125.362 0.3 1 3198 455 351 LEU H H 8.172 0.020 1 3199 455 351 LEU HA H 3.905 0.020 1 3200 455 351 LEU HB2 H 1.115 0.020 1 3201 455 351 LEU HD1 H 0.609 0.020 1 3202 455 351 LEU HD2 H 0.588 0.020 1 3203 455 351 LEU HG H 1.419 0.020 1 3204 455 351 LEU C C 174.431 0.3 1 3205 455 351 LEU CA C 52.727 0.3 1 3206 455 351 LEU CB C 39.880 0.3 1 3207 455 351 LEU CD1 C 22.152 0.3 1 3208 455 351 LEU CD2 C 19.129 0.3 1 3209 455 351 LEU CG C 23.537 0.3 1 3210 455 351 LEU N N 119.910 0.3 1 3211 456 352 GLN H H 7.993 0.020 1 3212 456 352 GLN HA H 3.476 0.020 1 3213 456 352 GLN HB2 H 2.287 0.020 2 3214 456 352 GLN HB3 H 1.991 0.020 2 3215 456 352 GLN HE21 H 7.523 0.020 1 3216 456 352 GLN HE22 H 6.738 0.020 1 3217 456 352 GLN HG2 H 2.072 0.020 1 3218 456 352 GLN C C 171.352 0.3 1 3219 456 352 GLN CA C 54.006 0.3 1 3220 456 352 GLN CB C 22.881 0.3 1 3221 456 352 GLN CG C 31.399 0.3 1 3222 456 352 GLN N N 113.987 0.3 1 3223 456 352 GLN NE2 N 111.856 0.3 1 3224 457 353 ARG H H 6.769 0.020 1 3225 457 353 ARG HA H 4.538 0.020 1 3226 457 353 ARG HB2 H 1.585 0.020 2 3227 457 353 ARG HB3 H 1.386 0.020 2 3228 457 353 ARG HD2 H 2.990 0.020 2 3229 457 353 ARG HD3 H 2.911 0.020 2 3230 457 353 ARG HG2 H 1.140 0.020 1 3231 457 353 ARG C C 171.363 0.3 1 3232 457 353 ARG CA C 51.554 0.3 1 3233 457 353 ARG CB C 31.224 0.3 1 3234 457 353 ARG CD C 40.620 0.3 1 3235 457 353 ARG CG C 22.726 0.3 1 3236 457 353 ARG N N 112.407 0.3 1 3237 458 354 ILE H H 8.712 0.020 1 3238 458 354 ILE HA H 4.521 0.020 1 3239 458 354 ILE HB H 1.625 0.020 1 3240 458 354 ILE HD1 H 0.498 0.020 1 3241 458 354 ILE HG12 H 2.000 0.020 2 3242 458 354 ILE HG13 H 0.790 0.020 2 3243 458 354 ILE HG2 H 0.956 0.020 1 3244 458 354 ILE C C 174.827 0.3 1 3245 458 354 ILE CA C 59.366 0.3 1 3246 458 354 ILE CB C 36.494 0.3 1 3247 458 354 ILE CD1 C 11.515 0.3 1 3248 458 354 ILE CG1 C 27.200 0.3 1 3249 458 354 ILE CG2 C 14.774 0.3 1 3250 458 354 ILE N N 122.255 0.3 1 3251 459 355 THR H H 9.267 0.020 1 3252 459 355 THR HA H 4.225 0.020 1 3253 459 355 THR HB H 4.175 0.020 1 3254 459 355 THR HG2 H 1.085 0.020 1 3255 459 355 THR C C 173.460 0.3 1 3256 459 355 THR CA C 59.800 0.3 1 3257 459 355 THR CB C 65.269 0.3 1 3258 459 355 THR CG2 C 21.478 0.3 1 3259 459 355 THR N N 120.554 0.3 1 3260 460 356 LYS H H 7.530 0.020 1 3261 460 356 LYS HA H 4.362 0.020 1 3262 460 356 LYS HB2 H 1.570 0.020 2 3263 460 356 LYS HB3 H 1.473 0.020 2 3264 460 356 LYS HD2 H 1.492 0.020 2 3265 460 356 LYS HD3 H 1.375 0.020 2 3266 460 356 LYS HE2 H 2.785 0.020 1 3267 460 356 LYS HG2 H 1.248 0.020 1 3268 460 356 LYS C C 171.320 0.3 1 3269 460 356 LYS CA C 54.507 0.3 1 3270 460 356 LYS CB C 34.228 0.3 1 3271 460 356 LYS CD C 26.719 0.3 1 3272 460 356 LYS CE C 38.846 0.3 1 3273 460 356 LYS CG C 22.286 0.3 1 3274 460 356 LYS N N 121.653 0.3 1 3275 461 357 THR H H 8.272 0.020 1 3276 461 357 THR HA H 4.694 0.020 1 3277 461 357 THR HB H 3.926 0.020 1 3278 461 357 THR HG2 H 1.059 0.020 1 3279 461 357 THR C C 170.451 0.3 1 3280 461 357 THR CA C 59.486 0.3 1 3281 461 357 THR CB C 66.949 0.3 1 3282 461 357 THR CG2 C 18.397 0.3 1 3283 461 357 THR N N 118.697 0.3 1 3284 462 358 LEU H H 8.967 0.020 1 3285 462 358 LEU HA H 4.623 0.020 1 3286 462 358 LEU HB2 H 1.545 0.020 2 3287 462 358 LEU HB3 H 1.167 0.020 2 3288 462 358 LEU HD1 H 0.457 0.020 1 3289 462 358 LEU HD2 H 0.575 0.020 1 3290 462 358 LEU HG H 1.121 0.020 1 3291 462 358 LEU C C 173.794 0.3 1 3292 462 358 LEU CA C 50.679 0.3 1 3293 462 358 LEU CB C 43.706 0.3 1 3294 462 358 LEU CD1 C 22.667 0.3 1 3295 462 358 LEU CD2 C 20.898 0.3 1 3296 462 358 LEU CG C 24.138 0.3 1 3297 462 358 LEU N N 127.259 0.3 1 3298 463 359 LYS H H 8.191 0.020 1 3299 463 359 LYS HA H 4.937 0.020 1 3300 463 359 LYS HB2 H 1.868 0.020 2 3301 463 359 LYS HB3 H 1.670 0.020 2 3302 463 359 LYS HD2 H 1.650 0.020 1 3303 463 359 LYS HG2 H 1.453 0.020 1 3304 463 359 LYS C C 177.789 0.3 1 3305 463 359 LYS CA C 51.772 0.3 1 3306 463 359 LYS CB C 29.564 0.3 1 3307 463 359 LYS CD C 24.718 0.3 1 3308 463 359 LYS CE C 39.151 0.3 1 3309 463 359 LYS CG C 21.836 0.3 1 3310 463 359 LYS N N 119.470 0.3 1 3311 464 360 SER H H 8.450 0.020 1 3312 464 360 SER HA H 4.156 0.020 1 3313 464 360 SER HB2 H 4.152 0.020 2 3314 464 360 SER HB3 H 3.917 0.020 2 3315 464 360 SER C C 170.554 0.3 1 3316 464 360 SER CA C 58.761 0.3 1 3317 464 360 SER CB C 59.301 0.3 1 3318 464 360 SER N N 118.912 0.3 1 3319 465 361 ASN H H 6.979 0.020 1 3320 465 361 ASN HA H 4.058 0.020 1 3321 465 361 ASN HB2 H 3.533 0.020 2 3322 465 361 ASN HB3 H 2.456 0.020 2 3323 465 361 ASN C C 175.477 0.3 1 3324 465 361 ASN CA C 49.271 0.3 1 3325 465 361 ASN CB C 35.992 0.3 1 3326 465 361 ASN N N 114.092 0.3 1 3327 466 362 SER H H 7.185 0.020 1 3328 466 362 SER HA H 4.693 0.020 1 3329 466 362 SER HB2 H 3.578 0.020 2 3330 466 362 SER HB3 H 3.432 0.020 2 3331 466 362 SER C C 174.174 0.3 1 3332 466 362 SER CA C 60.089 0.3 1 3333 466 362 SER CB C 59.487 0.3 1 3334 466 362 SER N N 114.386 0.3 1 3335 467 363 TRP H H 7.435 0.020 1 3336 467 363 TRP HA H 4.029 0.020 1 3337 467 363 TRP HB2 H 2.999 0.020 2 3338 467 363 TRP HB3 H 2.301 0.020 2 3339 467 363 TRP HE1 H 9.826 0.020 1 3340 467 363 TRP C C 173.499 0.3 1 3341 467 363 TRP CA C 55.454 0.3 1 3342 467 363 TRP CB C 25.079 0.3 1 3343 467 363 TRP N N 122.026 0.3 1 3344 467 363 TRP NE1 N 127.644 0.3 1 3345 468 364 PHE H H 7.102 0.020 1 3346 468 364 PHE HA H 4.705 0.020 1 3347 468 364 PHE HB2 H 3.200 0.020 2 3348 468 364 PHE HB3 H 3.005 0.020 2 3349 468 364 PHE C C 173.907 0.3 1 3350 468 364 PHE CA C 51.297 0.3 1 3351 468 364 PHE CB C 34.820 0.3 1 3352 468 364 PHE N N 116.316 0.3 1 3353 469 365 GLY H H 7.736 0.020 1 3354 469 365 GLY HA2 H 3.924 0.020 2 3355 469 365 GLY HA3 H 3.653 0.020 2 3356 469 365 GLY C C 171.148 0.3 1 3357 469 365 GLY CA C 43.293 0.3 1 3358 469 365 GLY N N 107.975 0.3 1 3359 470 366 CYS H H 6.869 0.020 1 3360 470 366 CYS HA H 4.099 0.020 1 3361 470 366 CYS HB2 H 2.829 0.020 2 3362 470 366 CYS HB3 H 2.192 0.020 2 3363 470 366 CYS CA C 53.162 0.3 1 3364 470 366 CYS CB C 37.053 0.3 1 3365 470 366 CYS N N 122.974 0.3 1 stop_ save_ save_heteronuclear_R1_FL _Saveframe_category T1_relaxation _Details ; column 1 number column 2 residue column 3 R1 (s-1) column 4 error (s-1) ; loop_ _Software_label $CARA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _T1_coherence_type NzHz _T1_value_units s-1 _Mol_system_component_name 'Full_Length Protein' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 VAL N 0.806 0.040 2 6 ARG N 0.748 0.037 3 8 HIS N 1.162 0.058 4 9 TYR N 0.648 0.032 5 10 ILE N 0.623 0.031 6 11 THR N 0.745 0.037 7 12 TYR N 0.749 0.037 8 13 ARG N 0.636 0.032 9 14 ILE N 0.641 0.032 10 15 ASN N 0.634 0.032 11 16 ASN N 0.647 0.032 12 17 TYR N 0.670 0.034 13 18 THR N 1.657 0.083 14 20 ASP N 0.734 0.037 15 21 MET N 0.784 0.039 16 22 ASN N 0.783 0.039 17 23 ARG N 0.843 0.042 18 24 GLU N 0.744 0.037 19 25 ASP N 0.830 0.042 20 26 VAL N 0.722 0.036 21 27 ASP N 0.685 0.034 22 29 ALA N 0.603 0.030 23 30 ILE N 0.578 0.029 24 32 LYS N 0.148 0.007 25 34 PHE N 0.630 0.032 26 35 GLN N 0.611 0.031 27 37 TRP N 0.614 0.031 28 38 SER N 0.696 0.035 29 39 ASN N 0.627 0.031 30 40 VAL N 0.569 0.028 31 41 THR N 0.705 0.035 32 43 LEU N 0.685 0.034 33 45 PHE N 0.460 0.023 34 46 SER N 0.681 0.034 35 47 LYS N 0.726 0.036 36 48 ILE N 0.716 0.036 37 49 ASN N 0.548 0.027 38 51 GLY N 1.141 0.057 39 52 MET N 0.944 0.047 40 53 ALA N 1.356 0.068 41 54 ASP N 0.531 0.027 42 55 ILE N 0.623 0.031 43 56 LEU N 0.644 0.032 44 57 VAL N 0.682 0.034 45 58 VAL N 0.622 0.031 46 59 PHE N 0.877 0.044 47 60 ALA N 0.488 0.024 48 61 ARG N 0.729 0.036 49 62 GLY N 0.644 0.032 50 63 ALA N 0.856 0.043 51 64 HIS N 1.018 0.051 52 65 GLY N 0.759 0.038 53 67 ASP N 1.358 0.068 54 68 HIS N 0.587 0.029 55 69 ALA N 0.414 0.021 56 70 PHE N 1.133 0.057 57 71 ASP N 0.710 0.035 58 72 GLY N 0.693 0.035 59 73 LYS N 0.757 0.038 60 74 GLY N 0.759 0.038 61 75 GLY N 0.856 0.043 62 76 ILE N 0.568 0.028 63 77 LEU N 0.639 0.032 64 78 ALA N 0.708 0.035 65 79 HIS N 0.768 0.038 66 80 ALA N 0.807 0.040 67 82 GLY N 0.681 0.034 68 84 GLY N 0.686 0.034 69 85 SER N 0.917 0.046 70 86 GLY N 1.145 0.057 71 87 ILE N 0.937 0.047 72 88 GLY N 0.764 0.038 73 89 GLY N 1.000 0.050 74 90 ASP N 0.794 0.040 75 91 ALA N 0.826 0.041 76 92 HIS N 0.722 0.036 77 93 PHE N 0.695 0.035 78 94 ASP N 0.611 0.031 79 95 GLU N 1.469 0.073 80 97 GLU N 0.743 0.037 81 98 PHE N 0.791 0.040 82 99 TRP N 0.868 0.043 83 100 THR N 0.882 0.044 84 101 THR N 0.856 0.043 85 102 HIS N 0.733 0.037 86 103 SER N 0.763 0.038 87 104 GLY N 1.335 0.067 88 105 GLY N 1.105 0.055 89 106 THR N 0.766 0.038 90 107 ASN N 0.747 0.037 91 108 LEU N 0.711 0.036 92 109 PHE N 1.138 0.057 93 110 LEU N 1.170 0.058 94 111 THR N 0.696 0.035 95 112 ALA N 0.759 0.038 96 113 VAL N 1.499 0.075 97 114 HIS N 0.659 0.033 98 115 ALA N 0.751 0.038 99 116 ILE N 0.700 0.035 100 117 GLY N 0.595 0.030 101 118 HIS N 0.643 0.032 102 119 SER N 0.824 0.041 103 120 LEU N 0.639 0.032 104 121 GLY N 0.599 0.030 105 122 LEU N 0.725 0.036 106 123 GLY N 0.647 0.032 107 124 HIS N 0.926 0.046 108 125 SER N 0.131 0.007 109 127 ASP N 0.750 0.038 110 129 LYS N 0.639 0.032 111 130 ALA N 0.797 0.040 112 131 VAL N 0.581 0.029 113 132 MET N 0.827 0.041 114 133 PHE N 0.770 0.039 115 135 THR N 0.748 0.037 116 137 LYS N 1.149 0.057 117 138 TYR N 0.921 0.046 118 139 VAL N 0.724 0.036 119 140 ASP N 0.817 0.041 120 141 ILE N 0.375 0.019 121 142 ASN N 0.845 0.042 122 143 THR N 0.724 0.036 123 144 PHE N 0.663 0.033 124 145 ARG N 0.895 0.045 125 146 LEU N 0.637 0.032 126 147 SER N 0.810 0.041 127 149 ASP N 0.597 0.030 128 150 ASP N 0.701 0.035 129 151 ILE N 0.723 0.036 130 152 ARG N 0.485 0.024 131 153 GLY N 0.675 0.034 132 154 ILE N 0.671 0.034 133 155 GLN N 0.778 0.039 134 156 SER N 0.709 0.035 135 157 LEU N 0.625 0.031 136 158 TYR N 0.611 0.031 137 159 GLY N 0.650 0.033 138 169 ASN N 1.555 0.078 139 176 ALA N 0.884 0.044 140 177 LEU N 0.789 0.039 141 178 CYS N 0.683 0.034 142 179 ASP N 0.619 0.031 143 181 ASN N 0.664 0.033 144 182 LEU N 0.262 0.013 145 183 SER N 0.676 0.034 146 184 PHE N 0.581 0.029 147 185 ASP N 0.823 0.041 148 186 ALA N 0.623 0.031 149 187 VAL N 0.350 0.017 150 188 THR N 0.515 0.026 151 189 THR N 0.663 0.033 152 190 VAL N 0.571 0.029 153 191 GLY N 0.519 0.026 154 192 ASN N 0.850 0.043 155 194 ILE N 0.559 0.028 156 195 PHE N 0.769 0.038 157 196 PHE N 0.540 0.027 158 197 PHE N 0.525 0.026 159 198 LYS N 0.623 0.031 160 199 ASP N 0.515 0.026 161 200 ARG N 0.589 0.029 162 201 PHE N 0.716 0.036 163 202 PHE N 0.562 0.028 164 203 TRP N 0.542 0.027 165 204 LEU N 0.490 0.025 166 205 LYS N 0.489 0.024 167 206 VAL N 0.618 0.031 168 207 SER N 0.594 0.030 169 208 GLU N 1.492 0.075 170 209 ARG N 0.847 0.042 171 211 LYS N 1.232 0.062 172 212 THR N 1.428 0.071 173 213 SER N 0.290 0.014 174 214 VAL N 0.456 0.023 175 215 ASN N 0.742 0.037 176 216 LEU N 0.652 0.033 177 217 ILE N 0.509 0.025 178 218 SER N 0.723 0.036 179 219 SER N 0.683 0.034 180 221 TRP N 0.599 0.030 181 223 THR N 1.186 0.059 182 224 LEU N 0.548 0.027 183 226 SER N 0.623 0.031 184 227 GLY N 0.664 0.033 185 228 ILE N 0.723 0.036 186 229 GLU N 0.523 0.026 187 230 ALA N 0.374 0.019 188 231 ALA N 0.481 0.024 189 232 TYR N 0.558 0.028 190 233 GLU N 0.819 0.041 191 235 GLU N 0.700 0.035 192 236 ALA N 0.461 0.023 193 237 ARG N 0.552 0.028 194 238 ASN N 0.424 0.021 195 239 GLN N 0.520 0.026 196 240 VAL N 0.683 0.034 197 241 PHE N 0.760 0.038 198 245 ASP N 0.601 0.030 199 246 ASP N 0.775 0.039 200 248 TYR N 0.567 0.028 201 249 TRP N 0.006 0.000 202 251 ILE N 0.469 0.023 203 252 SER N 0.483 0.024 204 253 ASN N 0.577 0.029 205 254 LEU N 0.443 0.022 206 255 ARG N 0.400 0.020 207 257 GLU N 0.553 0.028 208 259 ASN N 0.579 0.029 209 260 TYR N 0.497 0.025 210 262 LYS N 0.867 0.043 211 263 SER N 0.626 0.031 212 265 HIS N 0.686 0.034 213 266 SER N 0.914 0.046 214 267 PHE N 0.544 0.027 215 268 GLY N 0.558 0.028 216 269 PHE N 0.518 0.026 217 272 PHE N 1.070 0.054 218 273 VAL N 0.540 0.027 219 274 LYS N 0.572 0.029 220 275 LYS N 0.613 0.031 221 276 ILE N 0.665 0.033 222 277 ASP N 0.558 0.028 223 278 ALA N 0.265 0.013 224 279 ALA N 0.568 0.028 225 280 VAL N 0.510 0.026 226 281 PHE N 0.598 0.030 227 282 ASN N 0.569 0.028 228 284 ARG N 0.654 0.033 229 286 TYR N 0.571 0.029 230 287 ARG N 0.574 0.029 231 288 THR N 0.511 0.026 232 289 TYR N 0.543 0.027 233 290 PHE N 0.751 0.038 234 291 PHE N 0.616 0.031 235 292 VAL N 0.556 0.028 236 293 ASP N 0.684 0.034 237 294 ASN N 1.262 0.063 238 295 GLN N 1.033 0.052 239 296 TYR N 0.584 0.029 240 297 TRP N 0.416 0.021 241 299 TYR N 0.500 0.025 242 300 ASP N 0.609 0.030 243 301 GLU N 0.544 0.027 244 302 ARG N 0.592 0.030 245 303 ARG N 0.269 0.013 246 304 GLN N 0.557 0.028 247 305 MET N 0.922 0.046 248 306 MET N 0.665 0.033 249 307 ASP N 0.608 0.030 250 309 GLY N 0.610 0.030 251 310 TYR N 0.780 0.039 252 312 LYS N 0.476 0.024 253 314 ILE N 0.342 0.017 254 315 THR N 0.819 0.041 255 316 LYS N 0.636 0.032 256 317 ASN N 0.579 0.029 257 318 PHE N 0.644 0.032 258 319 GLN N 0.795 0.040 259 320 GLY N 0.997 0.050 260 321 ILE N 0.616 0.031 261 324 LYS N 0.919 0.046 262 325 ILE N 0.573 0.029 263 326 ASP N 0.728 0.036 264 327 ALA N 0.594 0.030 265 329 PHE N 0.676 0.034 266 330 TYR N 0.600 0.030 267 331 SER N 0.377 0.019 268 332 LYS N 1.032 0.052 269 333 ASN N 0.760 0.038 270 334 LYS N 0.863 0.043 271 335 TYR N 0.447 0.022 272 336 TYR N 0.534 0.027 273 337 TYR N 0.484 0.024 274 338 PHE N 0.552 0.028 275 339 PHE N 0.557 0.028 276 340 GLN N 0.824 0.041 277 341 GLY N 0.629 0.031 278 342 SER N 0.894 0.045 279 343 ASN N 0.439 0.022 280 344 GLN N 0.695 0.035 281 345 PHE N 0.580 0.029 282 346 GLU N 0.564 0.028 283 347 TYR N 0.567 0.028 284 348 ASP N 0.612 0.031 285 349 PHE N 0.584 0.029 286 352 GLN N 0.558 0.028 287 353 ARG N 0.690 0.034 288 354 ILE N 0.617 0.031 289 355 THR N 0.596 0.030 290 356 LYS N 0.559 0.028 291 357 THR N 0.704 0.035 292 358 LEU N 0.223 0.011 293 361 ASN N 0.644 0.032 294 362 SER N 0.571 0.029 295 363 TRP N 0.853 0.043 296 365 GLY N 0.715 0.036 297 366 CYS N 0.565 0.028 stop_ save_ save_heteronuclear_R2_FL _Saveframe_category T2_relaxation _Details ; column 1 number column 2 residue column 3 R2 (s-1) column 4 error (s-1) ; loop_ _Software_label $CARA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _T2_coherence_type NzHz _T2_value_units s-1 _Mol_system_component_name 'Full_Length Protein' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 VAL N 28.04 1.40 . . 2 5 TRP N 31.39 1.57 . . 3 6 ARG N 27.23 1.36 . . 4 7 LYS N 15.50 0.78 . . 5 9 TYR N 24.56 1.23 . . 6 10 ILE N 22.30 1.11 . . 7 11 THR N 27.38 1.37 . . 8 12 TYR N 28.65 1.43 . . 9 13 ARG N 26.34 1.32 . . 10 14 ILE N 22.51 1.13 . . 11 15 ASN N 23.18 1.16 . . 12 16 ASN N 10.45 0.52 . . 13 17 TYR N 23.03 1.15 . . 14 18 THR N 11.70 0.58 . . 15 20 ASP N 27.09 1.35 . . 16 21 MET N 24.66 1.23 . . 17 22 ASN N 24.77 1.24 . . 18 23 ARG N 27.82 1.39 . . 19 24 GLU N 29.29 1.46 . . 20 25 ASP N 23.87 1.19 . . 21 26 VAL N 20.67 1.03 . . 22 27 ASP N 36.51 1.83 . . 23 28 TYR N 40.95 2.05 . . 24 29 ALA N 27.85 1.39 . . 25 30 ILE N 26.70 1.33 . . 26 31 ARG N 13.30 0.67 . . 27 32 LYS N 7.34 0.37 . . 28 33 ALA N 25.77 1.29 . . 29 34 PHE N 26.76 1.34 . . 30 35 GLN N 27.86 1.39 . . 31 36 VAL N 22.55 1.13 . . 32 37 TRP N 29.45 1.47 . . 33 38 SER N 29.33 1.47 . . 34 39 ASN N 29.51 1.48 . . 35 40 VAL N 27.71 1.39 . . 36 41 THR N 26.96 1.35 . . 37 43 LEU N 29.23 1.46 . . 38 44 LYS N 35.19 1.76 . . 39 45 PHE N 39.11 1.96 . . 40 46 SER N 25.57 1.28 . . 41 47 LYS N 24.20 1.21 . . 42 48 ILE N 23.28 1.16 . . 43 49 ASN N 10.55 0.53 . . 44 50 THR N 5.20 0.26 . . 45 51 GLY N 22.67 1.13 . . 46 52 MET N 13.74 0.69 . . 47 53 ALA N 19.59 0.98 . . 48 55 ILE N 27.55 1.38 . . 49 56 LEU N 26.87 1.34 . . 50 57 VAL N 24.08 1.20 . . 51 58 VAL N 24.42 1.22 . . 52 59 PHE N 31.73 1.59 . . 53 60 ALA N 29.78 1.49 . . 54 61 ARG N 26.90 1.34 . . 55 62 GLY N 23.70 1.19 . . 56 63 ALA N 18.95 0.95 . . 57 64 HIS N 24.36 1.22 . . 58 66 ASP N 0.58 0.03 . . 59 67 ASP N 13.85 0.69 . . 60 68 HIS N 33.58 1.68 . . 61 69 ALA N 27.97 1.40 . . 62 70 PHE N 22.97 1.15 . . 63 71 ASP N 30.45 1.52 . . 64 72 GLY N 25.50 1.28 . . 65 73 LYS N 28.00 1.40 . . 66 74 GLY N 29.44 1.47 . . 67 75 GLY N 24.84 1.24 . . 68 76 ILE N 28.10 1.41 . . 69 78 ALA N 24.42 1.22 . . 70 79 HIS N 23.44 1.17 . . 71 80 ALA N 22.46 1.12 . . 72 82 GLY N 25.22 1.26 . . 73 84 GLY N 25.02 1.25 . . 74 85 SER N 26.77 1.34 . . 75 86 GLY N 37.42 1.87 . . 76 87 ILE N 32.64 1.63 . . 77 88 GLY N 27.12 1.36 . . 78 89 GLY N 25.86 1.29 . . 79 90 ASP N 26.89 1.34 . . 80 91 ALA N 29.51 1.48 . . 81 92 HIS N 24.26 1.21 . . 82 93 PHE N 21.88 1.09 . . 83 94 ASP N 16.05 0.80 . . 84 95 GLU N 26.26 1.31 . . 85 96 ASP N 3.74 0.19 . . 86 97 GLU N 24.52 1.23 . . 87 98 PHE N 28.35 1.42 . . 88 99 TRP N 30.76 1.54 . . 89 100 THR N 27.13 1.36 . . 90 101 THR N 31.41 1.57 . . 91 102 HIS N 26.85 1.34 . . 92 103 SER N 26.17 1.31 . . 93 104 GLY N 20.26 1.01 . . 94 105 GLY N 19.99 1.00 . . 95 106 THR N 24.90 1.25 . . 96 107 ASN N 28.16 1.41 . . 97 108 LEU N 25.23 1.26 . . 98 109 PHE N 25.37 1.27 . . 99 110 LEU N 27.85 1.39 . . 100 111 THR N 25.24 1.26 . . 101 112 ALA N 27.10 1.36 . . 102 113 VAL N 9.53 0.48 . . 103 114 HIS N 26.95 1.35 . . 104 115 ALA N 29.79 1.49 . . 105 116 ILE N 27.52 1.38 . . 106 117 GLY N 24.91 1.25 . . 107 118 HIS N 30.42 1.52 . . 108 119 SER N 25.82 1.29 . . 109 120 LEU N 24.22 1.21 . . 110 121 GLY N 29.21 1.46 . . 111 122 LEU N 35.52 1.78 . . 112 123 GLY N 21.42 1.07 . . 113 124 HIS N 25.48 1.27 . . 114 125 SER N 37.44 1.87 . . 115 126 SER N 19.85 0.99 . . 116 127 ASP N 26.31 1.32 . . 117 129 LYS N 25.65 1.28 . . 118 130 ALA N 25.45 1.27 . . 119 131 VAL N 29.33 1.47 . . 120 132 MET N 34.79 1.74 . . 121 135 THR N 26.92 1.35 . . 122 137 LYS N 25.16 1.26 . . 123 138 TYR N 23.35 1.17 . . 124 139 VAL N 24.23 1.21 . . 125 140 ASP N 23.00 1.15 . . 126 141 ILE N 34.60 1.73 . . 127 142 ASN N 27.55 1.38 . . 128 143 THR N 36.58 1.83 . . 129 144 PHE N 24.90 1.25 . . 130 145 ARG N 25.29 1.26 . . 131 146 LEU N 22.56 1.13 . . 132 147 SER N 23.72 1.19 . . 133 148 ALA N 23.41 1.17 . . 134 149 ASP N 30.79 1.54 . . 135 150 ASP N 25.61 1.28 . . 136 151 ILE N 28.76 1.44 . . 137 152 ARG N 22.19 1.11 . . 138 153 GLY N 26.17 1.31 . . 139 154 ILE N 25.94 1.30 . . 140 155 GLN N 22.58 1.13 . . 141 156 SER N 30.99 1.55 . . 142 157 LEU N 27.59 1.38 . . 143 158 TYR N 23.69 1.18 . . 144 159 GLY N 23.97 1.20 . . 145 169 ASN N 11.08 0.55 . . 146 176 ALA N 20.99 1.05 . . 147 177 LEU N 26.18 1.31 . . 148 178 CYS N 29.11 1.46 . . 149 179 ASP N 24.06 1.20 . . 150 181 ASN N 31.59 1.58 . . 151 182 LEU N 25.76 1.29 . . 152 183 SER N 31.42 1.57 . . 153 184 PHE N 30.68 1.53 . . 154 185 ASP N 33.54 1.68 . . 155 186 ALA N 33.01 1.65 . . 156 187 VAL N 32.74 1.64 . . 157 188 THR N 32.62 1.63 . . 158 189 THR N 27.64 1.38 . . 159 190 VAL N 26.97 1.35 . . 160 191 GLY N 29.56 1.48 . . 161 192 ASN N 26.46 1.32 . . 162 194 ILE N 27.27 1.36 . . 163 195 PHE N 30.61 1.53 . . 164 196 PHE N 27.23 1.36 . . 165 197 PHE N 27.86 1.39 . . 166 198 LYS N 23.81 1.19 . . 167 199 ASP N 32.29 1.61 . . 168 200 ARG N 30.57 1.53 . . 169 201 PHE N 29.71 1.49 . . 170 202 PHE N 27.59 1.38 . . 171 203 TRP N 21.07 1.05 . . 172 204 LEU N 32.32 1.62 . . 173 205 LYS N 28.74 1.44 . . 174 206 VAL N 19.74 0.99 . . 175 207 SER N 34.05 1.70 . . 176 208 GLU N 20.54 1.03 . . 177 209 ARG N 27.33 1.37 . . 178 211 LYS N 15.24 0.76 . . 179 212 THR N 26.22 1.31 . . 180 213 SER N 33.21 1.66 . . 181 214 VAL N 29.06 1.45 . . 182 215 ASN N 29.31 1.47 . . 183 216 LEU N 30.07 1.50 . . 184 217 ILE N 27.54 1.38 . . 185 218 SER N 30.93 1.55 . . 186 219 SER N 32.67 1.63 . . 187 220 LEU N 26.40 1.32 . . 188 221 TRP N 27.04 1.35 . . 189 223 THR N 28.20 1.41 . . 190 224 LEU N 31.93 1.60 . . 191 226 SER N 23.21 1.16 . . 192 227 GLY N 25.27 1.26 . . 193 228 ILE N 34.97 1.75 . . 194 229 GLU N 31.21 1.56 . . 195 231 ALA N 26.78 1.34 . . 196 232 TYR N 26.33 1.32 . . 197 233 GLU N 26.75 1.34 . . 198 234 ILE N 34.41 1.72 . . 199 235 GLU N 26.47 1.32 . . 200 236 ALA N 31.13 1.56 . . 201 237 ARG N 24.51 1.23 . . 202 239 GLN N 29.72 1.49 . . 203 240 VAL N 25.46 1.27 . . 204 241 PHE N 31.09 1.55 . . 205 243 PHE N 14.11 0.71 . . 206 244 LYS N 36.22 1.81 . . 207 245 ASP N 18.21 0.91 . . 208 246 ASP N 28.64 1.43 . . 209 248 TYR N 30.85 1.54 . . 210 249 TRP N 36.19 1.81 . . 211 250 LEU N 10.13 0.51 . . 212 251 ILE N 30.15 1.51 . . 213 252 SER N 26.13 1.31 . . 214 254 LEU N 27.13 1.36 . . 215 255 ARG N 34.10 1.71 . . 216 257 GLU N 28.02 1.40 . . 217 259 ASN N 29.66 1.48 . . 218 260 TYR N 28.36 1.42 . . 219 262 LYS N 24.11 1.21 . . 220 263 SER N 26.01 1.30 . . 221 264 ILE N 23.03 1.15 . . 222 265 HIS N 33.44 1.67 . . 223 266 SER N 35.21 1.76 . . 224 267 PHE N 38.11 1.91 . . 225 268 GLY N 30.40 1.52 . . 226 269 PHE N 28.99 1.45 . . 227 271 ASN N 25.68 1.28 . . 228 272 PHE N 11.35 0.57 . . 229 273 VAL N 29.38 1.47 . . 230 274 LYS N 32.06 1.60 . . 231 275 LYS N 28.92 1.45 . . 232 276 ILE N 22.62 1.13 . . 233 277 ASP N 28.64 1.43 . . 234 278 ALA N 33.67 1.68 . . 235 279 ALA N 29.41 1.47 . . 236 280 VAL N 27.46 1.37 . . 237 281 PHE N 33.37 1.67 . . 238 282 ASN N 31.39 1.57 . . 239 284 ARG N 24.81 1.24 . . 240 285 PHE N 21.36 1.07 . . 241 286 TYR N 10.06 0.50 . . 242 287 ARG N 32.11 1.61 . . 243 288 THR N 27.76 1.39 . . 244 289 TYR N 26.82 1.34 . . 245 290 PHE N 28.69 1.43 . . 246 291 PHE N 25.42 1.27 . . 247 292 VAL N 23.61 1.18 . . 248 293 ASP N 22.67 1.13 . . 249 294 ASN N 26.87 1.34 . . 250 295 GLN N 30.03 1.50 . . 251 296 TYR N 27.36 1.37 . . 252 297 TRP N 20.61 1.03 . . 253 299 TYR N 34.09 1.70 . . 254 300 ASP N 27.49 1.37 . . 255 301 GLU N 30.33 1.52 . . 256 302 ARG N 26.77 1.34 . . 257 303 ARG N 25.09 1.25 . . 258 304 GLN N 30.74 1.54 . . 259 305 MET N 8.97 0.45 . . 260 306 MET N 29.74 1.49 . . 261 307 ASP N 33.10 1.66 . . 262 309 GLY N 22.12 1.11 . . 263 310 TYR N 28.67 1.43 . . 264 313 LEU N 5.13 0.26 . . 265 314 ILE N 36.35 1.82 . . 266 315 THR N 28.08 1.40 . . 267 316 LYS N 28.98 1.45 . . 268 317 ASN N 28.09 1.40 . . 269 318 PHE N 29.85 1.49 . . 270 319 GLN N 33.64 1.68 . . 271 320 GLY N 28.09 1.40 . . 272 321 ILE N 33.69 1.68 . . 273 322 GLY N 28.17 1.41 . . 274 324 LYS N 26.57 1.33 . . 275 325 ILE N 20.22 1.01 . . 276 326 ASP N 25.31 1.27 . . 277 327 ALA N 31.35 1.57 . . 278 329 PHE N 30.59 1.53 . . 279 330 TYR N 18.88 0.94 . . 280 331 SER N 34.23 1.71 . . 281 332 LYS N 23.54 1.18 . . 282 333 ASN N 36.19 1.81 . . 283 334 LYS N 26.03 1.30 . . 284 335 TYR N 30.20 1.51 . . 285 336 TYR N 16.06 0.80 . . 286 337 TYR N 26.16 1.31 . . 287 338 PHE N 30.44 1.52 . . 288 339 PHE N 22.79 1.14 . . 289 340 GLN N 13.89 0.69 . . 290 341 GLY N 24.78 1.24 . . 291 342 SER N 22.00 1.10 . . 292 343 ASN N 35.61 1.78 . . 293 344 GLN N 29.70 1.49 . . 294 345 PHE N 24.91 1.25 . . 295 346 GLU N 25.14 1.26 . . 296 347 TYR N 25.24 1.26 . . 297 348 ASP N 23.42 1.17 . . 298 349 PHE N 27.86 1.39 . . 299 351 LEU N 13.62 0.68 . . 300 352 GLN N 27.94 1.40 . . 301 353 ARG N 26.33 1.32 . . 302 354 ILE N 20.28 1.01 . . 303 355 THR N 27.88 1.39 . . 304 356 LYS N 29.89 1.49 . . 305 357 THR N 25.56 1.28 . . 306 358 LEU N 17.20 0.86 . . 307 359 LYS N 14.49 0.72 . . 308 360 SER N 46.81 2.34 . . 309 361 ASN N 30.28 1.51 . . 310 362 SER N 31.39 1.57 . . 311 363 TRP N 28.62 1.43 . . 312 364 PHE N 28.54 1.43 . . 313 365 GLY N 31.01 1.55 . . 314 366 CYS N 21.39 1.07 . . stop_ save_ save_heteronuclear_noe_FL _Saveframe_category heteronuclear_NOE _Details ; column 1 number column 2 residue column 3 noe/noe ref column 4 error ; loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _Mol_system_component_name 'Full_Length Protein' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 0 _NOE_reference_description 'NOE ref is obtained after splitting of the spectra generating both NOE ref and NOE.' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 VAL 0.940 0.047 9 TYR 0.930 0.047 10 ILE 0.840 0.042 11 THR 0.870 0.044 12 TYR 0.890 0.045 13 ARG 0.740 0.037 14 ILE 0.860 0.043 15 ASN 0.980 0.049 16 ASN 0.790 0.040 17 TYR 0.980 0.049 18 THR 0.330 0.017 20 ASP 0.840 0.042 21 MET 0.770 0.039 22 ASN 0.620 0.031 23 ARG 0.730 0.036 24 GLU 0.800 0.040 26 VAL 0.770 0.039 30 ILE 1.000 0.050 35 GLN 0.990 0.050 37 TRP 0.830 0.042 38 SER 0.750 0.038 39 ASN 0.900 0.045 40 VAL 0.800 0.040 41 THR 0.760 0.038 43 LEU 0.730 0.036 46 SER 0.660 0.033 47 LYS 0.900 0.045 55 ILE 0.880 0.044 56 LEU 0.820 0.041 57 VAL 0.940 0.047 58 VAL 0.860 0.043 59 PHE 0.670 0.034 61 ARG 0.790 0.040 62 GLY 0.810 0.041 63 ALA 0.750 0.038 69 ALA 0.630 0.032 71 ASP 0.800 0.040 73 LYS 0.900 0.045 74 GLY 0.750 0.038 75 GLY 0.920 0.046 76 ILE 0.860 0.043 77 LEU 0.650 0.033 78 ALA 0.580 0.029 79 HIS 0.790 0.040 81 PHE 1.000 0.050 82 GLY 0.860 0.043 84 GLY 1.010 0.051 85 SER 0.890 0.045 86 GLY 0.830 0.042 87 ILE 0.920 0.046 88 GLY 0.870 0.044 90 ASP 0.870 0.044 92 HIS 0.870 0.044 93 PHE 0.740 0.037 96 ASP 1.000 0.050 98 PHE 0.710 0.035 99 TRP 0.740 0.037 100 THR 0.860 0.043 101 THR 0.760 0.038 102 HIS 0.870 0.044 103 SER 0.840 0.042 105 GLY 0.820 0.041 106 THR 0.740 0.037 107 ASN 0.830 0.042 108 LEU 0.750 0.038 109 PHE 0.900 0.045 110 LEU 0.830 0.042 111 THR 0.690 0.034 112 ALA 0.800 0.040 114 HIS 0.780 0.039 115 ALA 0.980 0.049 116 ILE 0.780 0.039 117 GLY 0.560 0.028 118 HIS 0.830 0.042 119 SER 0.800 0.040 121 GLY 0.810 0.041 123 GLY 1.060 0.053 124 HIS 0.920 0.046 125 SER 0.740 0.037 127 ASP 0.850 0.043 129 LYS 0.790 0.040 130 ALA 0.720 0.036 131 VAL 0.870 0.044 132 MET 0.630 0.032 135 THR 0.800 0.040 136 TYR 0.680 0.034 137 LYS 0.850 0.043 138 TYR 0.620 0.031 139 VAL 0.700 0.035 140 ASP 0.970 0.049 142 ASN 0.570 0.028 143 THR 0.550 0.028 144 PHE 0.610 0.030 145 ARG 0.710 0.035 146 LEU 0.950 0.048 147 SER 0.620 0.031 149 ASP 0.340 0.017 150 ASP 0.860 0.043 152 ARG 0.880 0.044 153 GLY 0.890 0.045 154 ILE 0.830 0.042 155 GLN 0.650 0.033 156 SER 0.900 0.045 157 LEU 0.820 0.041 158 TYR 0.720 0.036 159 GLY 0.660 0.033 169 ASN 0.250 0.013 176 ALA 0.510 0.026 177 LEU 0.620 0.031 179 ASP 0.570 0.028 181 ASN 0.640 0.032 183 SER 0.850 0.043 184 PHE 0.810 0.041 186 ALA 0.930 0.047 187 VAL 0.960 0.048 188 THR 0.920 0.046 189 THR 0.760 0.038 190 VAL 0.690 0.034 191 GLY 0.720 0.036 194 ILE 1.020 0.051 196 PHE 0.800 0.040 197 PHE 0.640 0.032 198 LYS 0.800 0.040 200 ARG 0.740 0.037 201 PHE 0.940 0.047 202 PHE 0.720 0.036 203 TRP 0.890 0.045 204 LEU 0.830 0.042 205 LYS 0.980 0.049 207 SER 0.980 0.049 208 GLU 0.640 0.032 211 LYS 0.510 0.026 215 ASN 0.720 0.036 216 LEU 0.780 0.039 217 ILE 0.820 0.041 218 SER 0.930 0.047 219 SER 0.810 0.041 221 TRP 0.950 0.048 223 THR 0.790 0.040 224 LEU 0.790 0.040 226 SER 0.650 0.033 232 TYR 0.870 0.044 233 GLU 0.690 0.034 235 GLU 0.960 0.048 236 ALA 0.770 0.039 237 ARG 0.540 0.027 238 ASN 0.660 0.033 239 GLN 0.730 0.036 240 VAL 0.420 0.021 245 ASP 0.730 0.036 246 ASP 1.010 0.051 248 TYR 0.810 0.041 250 LEU 0.330 0.017 253 ASN 1.030 0.052 254 LEU 0.820 0.041 257 GLU 0.850 0.043 259 ASN 0.740 0.037 260 TYR 0.560 0.028 263 SER 0.720 0.036 265 HIS 0.910 0.046 266 SER 0.880 0.044 267 PHE 0.870 0.044 268 GLY 0.840 0.042 269 PHE 0.720 0.036 272 PHE 0.430 0.022 273 VAL 0.570 0.028 275 LYS 0.710 0.035 276 ILE 1.030 0.052 277 ASP 0.830 0.042 279 ALA 0.710 0.035 280 VAL 0.720 0.036 284 ARG 0.750 0.038 286 TYR 1.070 0.054 287 ARG 0.770 0.039 288 THR 0.910 0.046 289 TYR 0.660 0.033 291 PHE 0.980 0.049 292 VAL 0.930 0.047 293 ASP 0.970 0.049 299 TYR 0.810 0.041 300 ASP 0.830 0.042 301 GLU 0.790 0.040 302 ARG 0.560 0.028 303 ARG 0.940 0.047 304 GLN 0.730 0.036 305 MET 1.020 0.051 306 MET 0.850 0.043 307 ASP 0.920 0.046 309 GLY 1.000 0.050 310 TYR 0.570 0.028 314 ILE 0.820 0.041 315 THR 0.690 0.034 316 LYS 0.700 0.035 317 ASN 0.480 0.024 318 PHE 0.760 0.038 320 GLY 0.600 0.030 321 ILE 0.700 0.035 322 GLY 0.970 0.049 324 LYS 0.590 0.029 325 ILE 0.900 0.045 326 ASP 0.690 0.034 329 PHE 0.960 0.048 330 TYR 0.810 0.041 333 ASN 0.810 0.041 334 LYS 0.830 0.042 336 TYR 0.820 0.041 337 TYR 0.640 0.032 338 PHE 1.070 0.054 339 PHE 1.000 0.050 341 GLY 0.800 0.040 342 SER 0.900 0.045 343 ASN 0.900 0.045 345 PHE 0.870 0.044 346 GLU 1.050 0.053 347 TYR 0.640 0.032 348 ASP 0.870 0.044 349 PHE 0.990 0.050 353 ARG 0.380 0.019 354 ILE 0.790 0.040 355 THR 0.710 0.035 356 LYS 0.870 0.044 357 THR 0.550 0.028 358 LEU 0.720 0.036 361 ASN 1.040 0.052 364 PHE 0.970 0.049 365 GLY 0.770 0.039 366 CYS 0.540 0.027 stop_ save_