data_16841 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments of Fibronectin 6FnI1-2FnII7FnI ; _BMRB_accession_number 16841 _BMRB_flat_file_name bmr16841.str _Entry_type original _Submission_date 2010-04-06 _Accession_date 2010-04-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '6FnI and 7FnI are fibronectin type I domains, 1-2 FnII are fibronectin typeII domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Erat Michele C. . 2 Campbell Iain D. . 3 Vakonakis Ioannis . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 853 "13C chemical shifts" 498 "15N chemical shifts" 186 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-26 update BMRB 'update entry citation' 2010-09-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4830 'The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Implications for Collagen Binding from the Crystallographic Structure of Fibronectin 6FnI1-2FnII7FnI.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20739283 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Erat Michele C. . 2 Schwarz-Linek Ulrich . . 3 Pickford Andrew R. . 4 Farndale Richard W. . 5 Campbell Iain D. . 6 Vakonakis Ioannis . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 44 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 33764 _Page_last 33770 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fibronectin 6FnI1-2FnII7FnI' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fibronectin 6FnI1-2FnII7FnI' $QUAD glycan $NAG stop_ _System_molecular_weight 23961.4 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'N-acetylglucosamine N-linked to N430 of QUAD' save_ ######################## # Monomeric polymers # ######################## save_QUAD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common QUAD _Molecular_mass 23708.1 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Gelatin/collagen binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 211 _Mol_residue_sequence ; YGDCVTDSGVVYSVGMQWLK TQGNKQMLCTCLGNGVSCQE TAVTQTYGGNSNGEPCVLPF TYNGRTFYSCTTEGRQDGHL WCSTTSNYEQDQKYSFCTDH TVLVQTRGGNSNGALCHFPF LYNNHNYTDCTSEGRRDNMK WCGTTQNYDADQKFGFCPMA AHEEICTTNEGVMYRIGDQW DKQHDMGHMMRCTCVGNGRG EWTCIAYSQLR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 305 TYR 2 306 GLY 3 307 ASP 4 308 CYS 5 309 VAL 6 310 THR 7 311 ASP 8 312 SER 9 313 GLY 10 314 VAL 11 315 VAL 12 316 TYR 13 317 SER 14 318 VAL 15 319 GLY 16 320 MET 17 321 GLN 18 322 TRP 19 323 LEU 20 324 LYS 21 325 THR 22 326 GLN 23 327 GLY 24 328 ASN 25 329 LYS 26 330 GLN 27 331 MET 28 332 LEU 29 333 CYS 30 334 THR 31 335 CYS 32 336 LEU 33 337 GLY 34 338 ASN 35 339 GLY 36 340 VAL 37 341 SER 38 342 CYS 39 343 GLN 40 344 GLU 41 345 THR 42 346 ALA 43 347 VAL 44 348 THR 45 349 GLN 46 350 THR 47 351 TYR 48 352 GLY 49 353 GLY 50 354 ASN 51 355 SER 52 356 ASN 53 357 GLY 54 358 GLU 55 359 PRO 56 360 CYS 57 361 VAL 58 362 LEU 59 363 PRO 60 364 PHE 61 365 THR 62 366 TYR 63 367 ASN 64 368 GLY 65 369 ARG 66 370 THR 67 371 PHE 68 372 TYR 69 373 SER 70 374 CYS 71 375 THR 72 376 THR 73 377 GLU 74 378 GLY 75 379 ARG 76 380 GLN 77 381 ASP 78 382 GLY 79 383 HIS 80 384 LEU 81 385 TRP 82 386 CYS 83 387 SER 84 388 THR 85 389 THR 86 390 SER 87 391 ASN 88 392 TYR 89 393 GLU 90 394 GLN 91 395 ASP 92 396 GLN 93 397 LYS 94 398 TYR 95 399 SER 96 400 PHE 97 401 CYS 98 402 THR 99 403 ASP 100 404 HIS 101 405 THR 102 406 VAL 103 407 LEU 104 408 VAL 105 409 GLN 106 410 THR 107 411 ARG 108 412 GLY 109 413 GLY 110 414 ASN 111 415 SER 112 416 ASN 113 417 GLY 114 418 ALA 115 419 LEU 116 420 CYS 117 421 HIS 118 422 PHE 119 423 PRO 120 424 PHE 121 425 LEU 122 426 TYR 123 427 ASN 124 428 ASN 125 429 HIS 126 430 ASN 127 431 TYR 128 432 THR 129 433 ASP 130 434 CYS 131 435 THR 132 436 SER 133 437 GLU 134 438 GLY 135 439 ARG 136 440 ARG 137 441 ASP 138 442 ASN 139 443 MET 140 444 LYS 141 445 TRP 142 446 CYS 143 447 GLY 144 448 THR 145 449 THR 146 450 GLN 147 451 ASN 148 452 TYR 149 453 ASP 150 454 ALA 151 455 ASP 152 456 GLN 153 457 LYS 154 458 PHE 155 459 GLY 156 460 PHE 157 461 CYS 158 462 PRO 159 463 MET 160 464 ALA 161 465 ALA 162 466 HIS 163 467 GLU 164 468 GLU 165 469 ILE 166 470 CYS 167 471 THR 168 472 THR 169 473 ASN 170 474 GLU 171 475 GLY 172 476 VAL 173 477 MET 174 478 TYR 175 479 ARG 176 480 ILE 177 481 GLY 178 482 ASP 179 483 GLN 180 484 TRP 181 485 ASP 182 486 LYS 183 487 GLN 184 488 HIS 185 489 ASP 186 490 MET 187 491 GLY 188 492 HIS 189 493 MET 190 494 MET 191 495 ARG 192 496 CYS 193 497 THR 194 498 CYS 195 499 VAL 196 500 GLY 197 501 ASN 198 502 GLY 199 503 ARG 200 504 GLY 201 505 GLU 202 506 TRP 203 507 THR 204 508 CYS 205 509 ILE 206 510 ALA 207 511 TYR 208 512 SER 209 513 GLN 210 514 LEU 211 515 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 1E88 "Solution Structure Of 6f11f22f2, A Compact Three-Module Fragment Of The Gelatin-Binding Domain Of Human Fibronectin" 75.83 160 99.38 99.38 5.83e-112 PDB 1E8B "Solution Structure Of 6f11f22f2, A Compact Three-Module Fragment Of The Gelatin-Binding Domain Of Human Fibronectin" 75.83 160 99.38 99.38 5.83e-112 PDB 3M7P "Fibronectin Fragment" 100.00 308 99.53 99.53 4.09e-151 PDB 3MQL "Crystal Structure Of The Fibronectin 6fni1-2fnii7fni Fragment" 100.00 220 100.00 100.00 1.01e-154 DBJ BAM95188 "fusion proteins of collagen binding domain and bone morphogenetic protein 4 protein [Expression vector pBac-IE2-HsCBDBMP4-Puro]" 100.00 400 99.53 99.53 9.79e-154 GB AAG30571 "fibronectin [Homo sapiens]" 97.16 205 99.51 99.51 6.56e-149 stop_ save_ ############# # Ligands # ############# save_NAG _Saveframe_category ligand _Mol_type "non-polymer (D-saccharide)" _Name_common "NAG (N-ACETYL-D-GLUCOSAMINE)" _BMRB_code . _PDB_code NAG _Molecular_mass 221.208 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:20:37 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H83 H83 H . 0 . ? HN2 HN2 H . 0 . ? HO1 HO1 H . 0 . ? HO3 HO3 H . 0 . ? HO4 HO4 H . 0 . ? HO6 HO6 H . 0 . ? N2 N2 N . 0 . ? O1 O1 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? O5 O5 O . 0 . ? O6 O6 O . 0 . ? O7 O7 O . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 O1 ? ? SING C1 O5 ? ? SING C1 H1 ? ? SING C2 C3 ? ? SING C2 N2 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 O3 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 O4 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 O5 ? ? SING C5 H5 ? ? SING C6 O6 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 N2 ? ? DOUB C7 O7 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C8 H83 ? ? SING N2 HN2 ? ? SING O1 HO1 ? ? SING O3 HO3 ? ? SING O4 HO4 ? ? SING O6 HO6 ? ? stop_ _Mol_thiol_state 'not present' _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 $QUAD 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 $QUAD 'recombinant technology' . Pichia pastoris X-33 pPICZalpha stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $QUAD 1 mM [U-15N] 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DSS 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $QUAD 1 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DSS 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $QUAD 1 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DSS 0.1 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_Omega_Spectrometer_Operating_Software _Saveframe_category software _Name 'Omega Spectrometer Operating Software' _Version 'Beta 6.03b2' loop_ _Vendor _Address _Electronic_address GE . . stop_ loop_ _Task collection stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version 4.3.7 loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version '2.4 Rev 2006.095.11.35' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer GE _Model OMEGA _Field_strength 950 _Details 'Oxford supercon magnets, home built consoles controlled by GE Omega computers' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer GE _Model OMEGA _Field_strength 500 _Details 'Oxford supercon magnets, home built consoles controlled by GE Omega computers' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_CACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CACONH _Sample_label $sample_2 save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_2 save_ save_C(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name C(CCO)NH _Sample_label $sample_2 save_ save_H(CCCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _Sample_label $sample_2 save_ save_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_3 save_ save_HBCBCGCDHD_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label $sample_3 save_ save_HBCBCGCDCEHE_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE _Sample_label $sample_3 save_ save_HBHACONH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_4D_HC/HC_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HC/HC NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 7.2 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Omega_Spectrometer_Operating_Software $PIPP $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' CACONH CBCACONH C(CCO)NH H(CCCO)NH HCCH-COSY HBCBCGCDHD HBCBCGCDCEHE HBHACONH '3D 1H-15N TOCSY' '4D HC/HC NOESY' '3D 1H-15N NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Fibronectin 6FnI1-2FnII7FnI' _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 1 306 2 GLY HA2 H 3.81 0.02 1 2 306 2 GLY HA3 H 4.01 0.02 1 3 306 2 GLY CA C 45.21 0.10 1 4 307 3 ASP H H 7.94 0.02 1 5 307 3 ASP HA H 4.76 0.02 1 6 307 3 ASP HB2 H 2.43 0.02 1 7 307 3 ASP HB3 H 2.65 0.02 1 8 307 3 ASP CA C 54.80 0.10 1 9 307 3 ASP CB C 42.20 0.10 1 10 307 3 ASP N N 118.95 0.10 1 11 308 4 CYS H H 9.05 0.02 1 12 308 4 CYS HA H 4.78 0.02 1 13 308 4 CYS HB2 H 2.92 0.02 1 14 308 4 CYS HB3 H 3.15 0.02 1 15 308 4 CYS CA C 57.66 0.10 1 16 308 4 CYS CB C 43.49 0.10 1 17 308 4 CYS N N 117.30 0.10 1 18 309 5 VAL H H 8.36 0.02 1 19 309 5 VAL HA H 4.62 0.02 1 20 309 5 VAL HB H 1.91 0.02 1 21 309 5 VAL HG1 H 0.87 0.02 2 22 309 5 VAL HG2 H 0.87 0.02 2 23 309 5 VAL CA C 61.20 0.10 1 24 309 5 VAL CB C 32.83 0.10 1 25 309 5 VAL CG1 C 20.89 0.10 2 26 309 5 VAL CG2 C 20.89 0.10 2 27 309 5 VAL N N 122.90 0.10 1 28 310 6 THR H H 8.62 0.02 1 29 310 6 THR CA C 61.04 0.10 1 30 310 6 THR CB C 71.43 0.10 1 31 310 6 THR N N 117.75 0.10 1 32 312 8 SER HA H 4.53 0.02 1 33 312 8 SER HB2 H 3.92 0.02 1 34 312 8 SER HB3 H 4.04 0.02 1 35 312 8 SER CA C 57.97 0.10 1 36 312 8 SER CB C 63.65 0.10 1 37 313 9 GLY H H 8.05 0.02 1 38 313 9 GLY HA2 H 3.44 0.02 1 39 313 9 GLY HA3 H 4.16 0.02 1 40 313 9 GLY CA C 45.40 0.10 1 41 313 9 GLY N N 110.25 0.10 1 42 314 10 VAL H H 7.06 0.02 1 43 314 10 VAL HA H 3.62 0.02 1 44 314 10 VAL HB H 1.55 0.02 1 45 314 10 VAL HG1 H 0.69 0.02 1 46 314 10 VAL HG2 H 0.27 0.02 1 47 314 10 VAL CA C 62.93 0.10 1 48 314 10 VAL CB C 31.50 0.10 1 49 314 10 VAL CG1 C 21.50 0.10 1 50 314 10 VAL CG2 C 21.50 0.10 1 51 314 10 VAL N N 121.49 0.10 1 52 315 11 VAL H H 7.47 0.02 1 53 315 11 VAL HA H 4.55 0.02 1 54 315 11 VAL HB H 1.64 0.02 1 55 315 11 VAL HG1 H 0.81 0.02 1 56 315 11 VAL HG2 H 0.70 0.02 1 57 315 11 VAL CA C 61.18 0.10 1 58 315 11 VAL CB C 33.02 0.10 1 59 315 11 VAL CG1 C 21.65 0.10 1 60 315 11 VAL CG2 C 21.65 0.10 1 61 315 11 VAL N N 125.95 0.10 1 62 316 12 TYR H H 8.53 0.02 1 63 316 12 TYR HA H 4.66 0.02 1 64 316 12 TYR HB2 H 2.95 0.02 2 65 316 12 TYR HB3 H 2.95 0.02 2 66 316 12 TYR CA C 56.98 0.10 1 67 316 12 TYR CB C 42.79 0.10 1 68 316 12 TYR N N 124.83 0.10 1 69 317 13 SER H H 8.10 0.02 1 70 317 13 SER HA H 4.92 0.02 1 71 317 13 SER HB2 H 3.56 0.02 1 72 317 13 SER HB3 H 4.06 0.02 1 73 317 13 SER CA C 57.96 0.10 1 74 317 13 SER CB C 64.91 0.10 1 75 317 13 SER N N 117.55 0.10 1 76 318 14 VAL H H 8.41 0.02 1 77 318 14 VAL HA H 3.53 0.02 1 78 318 14 VAL HB H 1.89 0.02 1 79 318 14 VAL HG1 H 1.40 0.02 1 80 318 14 VAL HG2 H 1.40 0.02 1 81 318 14 VAL CA C 65.29 0.10 1 82 318 14 VAL CB C 31.35 0.10 1 83 318 14 VAL CG1 C 22.40 0.10 1 84 318 14 VAL CG2 C 20.91 0.10 1 85 318 14 VAL N N 122.19 0.10 1 86 319 15 GLY H H 9.10 0.02 1 87 319 15 GLY HA2 H 3.67 0.02 1 88 319 15 GLY HA3 H 4.54 0.02 1 89 319 15 GLY CA C 44.60 0.10 1 90 319 15 GLY N N 115.10 0.10 1 91 320 16 MET H H 8.20 0.02 1 92 320 16 MET HA H 4.75 0.02 1 93 320 16 MET CA C 57.28 0.10 1 94 320 16 MET CB C 34.54 0.10 1 95 320 16 MET CE C 16.01 0.10 1 96 320 16 MET N N 118.45 0.10 1 97 321 17 GLN H H 9.51 0.02 1 98 321 17 GLN HA H 5.60 0.02 1 99 321 17 GLN HB2 H 1.72 0.02 1 100 321 17 GLN HB3 H 1.81 0.02 1 101 321 17 GLN HG2 H 2.40 0.02 2 102 321 17 GLN HG3 H 2.40 0.02 2 103 321 17 GLN CA C 54.05 0.10 1 104 321 17 GLN CB C 34.21 0.10 1 105 321 17 GLN CG C 34.49 0.10 1 106 321 17 GLN N N 118.16 0.10 1 107 322 18 TRP H H 8.64 0.02 1 108 322 18 TRP HA H 4.83 0.02 1 109 322 18 TRP HB2 H 2.86 0.02 1 110 322 18 TRP HB3 H 3.04 0.02 1 111 322 18 TRP CA C 56.86 0.10 1 112 322 18 TRP CB C 31.04 0.10 1 113 322 18 TRP N N 119.48 0.10 1 114 323 19 LEU H H 8.40 0.02 1 115 323 19 LEU HA H 5.27 0.02 1 116 323 19 LEU HB2 H 1.39 0.02 1 117 323 19 LEU HB3 H 1.61 0.02 1 118 323 19 LEU HD2 H 0.78 0.02 1 119 323 19 LEU HG H 1.35 0.02 1 120 323 19 LEU CA C 53.25 0.10 1 121 323 19 LEU CB C 44.47 0.10 1 122 323 19 LEU CD1 C 25.42 0.10 1 123 323 19 LEU CD2 C 23.80 0.10 1 124 323 19 LEU CG C 26.98 0.10 1 125 323 19 LEU N N 119.55 0.10 1 126 324 20 LYS H H 8.92 0.02 1 127 324 20 LYS HA H 4.79 0.02 1 128 324 20 LYS HB2 H 1.78 0.02 1 129 324 20 LYS HB3 H 1.83 0.02 1 130 324 20 LYS HD2 H 1.80 0.02 2 131 324 20 LYS HD3 H 1.80 0.02 2 132 324 20 LYS HE2 H 3.02 0.02 2 133 324 20 LYS HE3 H 3.02 0.02 2 134 324 20 LYS HG2 H 1.35 0.02 1 135 324 20 LYS HG3 H 1.40 0.02 1 136 324 20 LYS CA C 54.98 0.10 1 137 324 20 LYS CB C 36.83 0.10 1 138 324 20 LYS CD C 29.97 0.10 1 139 324 20 LYS CG C 24.80 0.10 1 140 324 20 LYS N N 122.81 0.10 1 141 325 21 THR H H 8.74 0.02 1 142 325 21 THR HA H 4.91 0.02 1 143 325 21 THR HB H 4.07 0.02 1 144 325 21 THR HG2 H 1.16 0.02 1 145 325 21 THR CA C 61.92 0.10 1 146 325 21 THR CB C 69.90 0.10 1 147 325 21 THR CG2 C 21.99 0.10 1 148 325 21 THR N N 120.64 0.10 1 149 326 22 GLN H H 8.71 0.02 1 150 326 22 GLN HA H 4.64 0.02 1 151 326 22 GLN HB2 H 1.81 0.02 1 152 326 22 GLN HB3 H 2.02 0.02 1 153 326 22 GLN HG2 H 2.25 0.02 2 154 326 22 GLN HG3 H 2.25 0.02 2 155 326 22 GLN CA C 54.93 0.10 1 156 326 22 GLN CB C 30.97 0.10 1 157 326 22 GLN CG C 34.47 0.10 1 158 326 22 GLN N N 127.30 0.10 1 159 328 24 ASN HA H 4.67 0.02 1 160 328 24 ASN HB2 H 2.93 0.02 2 161 328 24 ASN HB3 H 2.93 0.02 2 162 328 24 ASN CA C 53.35 0.10 1 163 328 24 ASN CB C 38.34 0.10 1 164 329 25 LYS H H 7.90 0.02 1 165 329 25 LYS HA H 4.63 0.02 1 166 329 25 LYS HB2 H 1.76 0.02 1 167 329 25 LYS HB3 H 1.93 0.02 1 168 329 25 LYS HE2 H 2.65 0.02 1 169 329 25 LYS HE3 H 3.04 0.02 1 170 329 25 LYS HG2 H 1.77 0.02 1 171 329 25 LYS HG3 H 1.47 0.02 1 172 329 25 LYS CA C 55.24 0.10 1 173 329 25 LYS CB C 35.17 0.10 1 174 329 25 LYS CD C 29.25 0.10 1 175 329 25 LYS CE C 42.38 0.10 1 176 329 25 LYS CG C 24.65 0.10 1 177 329 25 LYS N N 119.38 0.10 1 178 330 26 GLN H H 8.66 0.02 1 179 330 26 GLN HA H 4.76 0.02 1 180 330 26 GLN HB2 H 1.96 0.02 2 181 330 26 GLN HB3 H 1.96 0.02 2 182 330 26 GLN HG2 H 2.21 0.02 2 183 330 26 GLN HG3 H 2.21 0.02 2 184 330 26 GLN CA C 55.30 0.10 1 185 330 26 GLN CB C 30.80 0.10 1 186 330 26 GLN CG C 34.76 0.10 1 187 330 26 GLN N N 122.03 0.10 1 188 331 27 MET H H 9.01 0.02 1 189 331 27 MET HA H 4.97 0.02 1 190 331 27 MET HB2 H 1.60 0.02 1 191 331 27 MET HB3 H 1.91 0.02 1 192 331 27 MET HG2 H 2.30 0.02 2 193 331 27 MET HG3 H 2.30 0.02 2 194 331 27 MET CA C 53.23 0.10 1 195 331 27 MET CB C 35.00 0.10 1 196 331 27 MET CG C 32.40 0.10 1 197 331 27 MET N N 122.14 0.10 1 198 332 28 LEU H H 8.93 0.02 1 199 332 28 LEU HA H 4.66 0.02 1 200 332 28 LEU HB2 H 1.10 0.02 1 201 332 28 LEU HB3 H 1.71 0.02 1 202 332 28 LEU HD1 H 0.68 0.02 2 203 332 28 LEU HD2 H 0.68 0.02 2 204 332 28 LEU CA C 53.52 0.10 1 205 332 28 LEU CB C 44.19 0.10 1 206 332 28 LEU CD1 C 25.45 0.10 2 207 332 28 LEU CD2 C 25.45 0.10 2 208 332 28 LEU CG C 27.40 0.10 1 209 332 28 LEU N N 123.78 0.10 1 210 333 29 CYS H H 9.13 0.02 1 211 333 29 CYS HA H 5.16 0.02 1 212 333 29 CYS HB2 H 0.62 0.02 1 213 333 29 CYS HB3 H 1.57 0.02 1 214 333 29 CYS CA C 54.98 0.10 1 215 333 29 CYS CB C 45.70 0.10 1 216 333 29 CYS N N 128.65 0.10 1 217 334 30 THR H H 8.57 0.02 1 218 334 30 THR HA H 4.76 0.02 1 219 334 30 THR HB H 3.72 0.02 1 220 334 30 THR HG2 H 1.08 0.02 1 221 334 30 THR CA C 60.82 0.10 1 222 334 30 THR CB C 71.69 0.10 1 223 334 30 THR CG2 C 20.74 0.10 1 224 334 30 THR N N 114.70 0.10 1 225 335 31 CYS H H 8.40 0.02 1 226 335 31 CYS HA H 5.21 0.02 1 227 335 31 CYS HB2 H 3.09 0.02 1 228 335 31 CYS HB3 H 3.46 0.02 1 229 335 31 CYS CA C 54.45 0.10 1 230 335 31 CYS CB C 38.35 0.10 1 231 335 31 CYS N N 123.56 0.10 1 232 336 32 LEU H H 8.43 0.02 1 233 336 32 LEU HA H 4.84 0.02 1 234 336 32 LEU HB2 H 1.73 0.02 1 235 336 32 LEU HB3 H 1.98 0.02 1 236 336 32 LEU HD1 H 0.91 0.02 2 237 336 32 LEU HD2 H 0.91 0.02 2 238 336 32 LEU CA C 54.15 0.10 1 239 336 32 LEU CB C 43.66 0.10 1 240 336 32 LEU CG C 25.80 0.10 1 241 336 32 LEU N N 130.03 0.10 1 242 337 33 GLY H H 8.48 0.02 1 243 337 33 GLY HA2 H 3.78 0.02 1 244 337 33 GLY HA3 H 3.99 0.02 1 245 337 33 GLY CA C 46.87 0.10 1 246 337 33 GLY N N 108.24 0.10 1 247 338 34 ASN H H 7.70 0.02 1 248 338 34 ASN HA H 4.88 0.02 1 249 338 34 ASN HB2 H 2.77 0.02 1 250 338 34 ASN HB3 H 3.00 0.02 1 251 338 34 ASN CA C 52.21 0.10 1 252 338 34 ASN CB C 37.97 0.10 1 253 338 34 ASN N N 114.19 0.10 1 254 339 35 GLY H H 7.61 0.02 1 255 339 35 GLY HA2 H 3.91 0.02 1 256 339 35 GLY HA3 H 4.54 0.02 1 257 339 35 GLY CA C 44.44 0.10 1 258 339 35 GLY N N 107.97 0.10 1 259 340 36 VAL H H 8.43 0.02 1 260 340 36 VAL HA H 4.66 0.02 1 261 340 36 VAL HB H 2.09 0.02 1 262 340 36 VAL HG1 H 1.25 0.02 1 263 340 36 VAL HG2 H 1.06 0.02 1 264 340 36 VAL CA C 62.60 0.10 1 265 340 36 VAL CB C 33.91 0.10 1 266 340 36 VAL CG1 C 23.25 0.10 1 267 340 36 VAL CG2 C 23.27 0.10 1 268 340 36 VAL N N 120.11 0.10 1 269 341 37 SER H H 8.45 0.02 1 270 341 37 SER HA H 4.81 0.02 1 271 341 37 SER HB2 H 3.71 0.02 1 272 341 37 SER HB3 H 3.65 0.02 1 273 341 37 SER CA C 56.57 0.10 1 274 341 37 SER CB C 64.84 0.10 1 275 341 37 SER N N 121.26 0.10 1 276 342 38 CYS HA H 5.63 0.02 1 277 342 38 CYS HB2 H 2.43 0.02 1 278 342 38 CYS HB3 H 3.12 0.02 1 279 342 38 CYS CA C 55.48 0.10 1 280 342 38 CYS CB C 49.37 0.10 1 281 343 39 GLN H H 8.65 0.02 1 282 343 39 GLN HA H 4.71 0.02 1 283 343 39 GLN HB2 H 2.06 0.02 1 284 343 39 GLN HB3 H 2.28 0.02 1 285 343 39 GLN HG2 H 2.28 0.02 2 286 343 39 GLN HG3 H 2.28 0.02 2 287 343 39 GLN CA C 53.96 0.10 1 288 343 39 GLN CB C 32.84 0.10 1 289 343 39 GLN CG C 33.30 0.10 1 290 343 39 GLN N N 120.03 0.10 1 291 344 40 GLU H H 8.92 0.02 1 292 344 40 GLU HA H 4.65 0.02 1 293 344 40 GLU HB2 H 2.02 0.02 2 294 344 40 GLU HB3 H 2.02 0.02 2 295 344 40 GLU HG2 H 2.99 0.02 1 296 344 40 GLU HG3 H 3.34 0.02 1 297 344 40 GLU CA C 57.76 0.10 1 298 344 40 GLU CB C 30.26 0.10 1 299 344 40 GLU CG C 37.02 0.10 1 300 344 40 GLU N N 124.42 0.10 1 301 345 41 THR H H 8.28 0.02 1 302 345 41 THR HA H 4.46 0.02 1 303 345 41 THR HB H 4.06 0.02 1 304 345 41 THR HG2 H 1.05 0.02 1 305 345 41 THR CA C 61.10 0.10 1 306 345 41 THR CB C 70.38 0.10 1 307 345 41 THR CG2 C 21.66 0.10 1 308 345 41 THR N N 116.43 0.10 1 309 346 42 ALA H H 8.29 0.02 1 310 346 42 ALA HA H 4.50 0.02 1 311 346 42 ALA HB H 1.39 0.02 1 312 346 42 ALA CA C 51.98 0.10 1 313 346 42 ALA CB C 19.90 0.10 1 314 346 42 ALA N N 126.08 0.10 1 315 347 43 VAL H H 8.13 0.02 1 316 347 43 VAL HA H 4.19 0.02 1 317 347 43 VAL HB H 2.11 0.02 1 318 347 43 VAL HG1 H 0.99 0.02 2 319 347 43 VAL HG2 H 0.99 0.02 2 320 347 43 VAL CA C 62.25 0.10 1 321 347 43 VAL CB C 32.83 0.10 1 322 347 43 VAL CG1 C 21.07 0.10 2 323 347 43 VAL CG2 C 21.07 0.10 2 324 347 43 VAL N N 119.27 0.10 1 325 348 44 THR H H 8.23 0.02 1 326 348 44 THR HA H 4.28 0.02 1 327 348 44 THR HB H 4.12 0.02 1 328 348 44 THR HG2 H 1.32 0.02 1 329 348 44 THR CA C 63.08 0.10 1 330 348 44 THR CB C 70.01 0.10 1 331 348 44 THR CG2 C 22.39 0.10 1 332 348 44 THR N N 119.73 0.10 1 333 349 45 GLN H H 8.46 0.02 1 334 349 45 GLN HA H 4.68 0.02 1 335 349 45 GLN HB2 H 2.13 0.02 1 336 349 45 GLN HB3 H 2.26 0.02 1 337 349 45 GLN HG2 H 2.19 0.02 1 338 349 45 GLN HG3 H 2.43 0.02 1 339 349 45 GLN CA C 55.61 0.10 1 340 349 45 GLN CB C 30.31 0.10 1 341 349 45 GLN CG C 34.23 0.10 1 342 349 45 GLN N N 125.57 0.10 1 343 350 46 THR H H 7.97 0.02 1 344 350 46 THR HA H 5.68 0.02 1 345 350 46 THR HB H 3.93 0.02 1 346 350 46 THR HG2 H 1.18 0.02 1 347 350 46 THR CA C 58.97 0.10 1 348 350 46 THR CB C 72.70 0.10 1 349 350 46 THR CG2 C 24.38 0.10 1 350 350 46 THR N N 111.62 0.10 1 351 351 47 TYR H H 8.71 0.02 1 352 351 47 TYR HA H 4.81 0.02 1 353 351 47 TYR HB2 H 2.94 0.02 1 354 351 47 TYR HB3 H 3.10 0.02 1 355 351 47 TYR CA C 56.88 0.10 1 356 351 47 TYR CB C 40.62 0.10 1 357 351 47 TYR N N 115.80 0.10 1 358 352 48 GLY H H 8.79 0.02 1 359 352 48 GLY HA2 H 3.86 0.02 2 360 352 48 GLY HA3 H 3.86 0.02 2 361 352 48 GLY CA C 46.83 0.10 1 362 352 48 GLY N N 106.28 0.10 1 363 353 49 GLY H H 7.37 0.02 1 364 353 49 GLY HA2 H 2.79 0.02 1 365 353 49 GLY HA3 H 3.44 0.02 1 366 353 49 GLY CA C 45.08 0.10 1 367 353 49 GLY N N 108.24 0.10 1 368 354 50 ASN H H 6.25 0.02 1 369 354 50 ASN HA H 4.67 0.02 1 370 354 50 ASN HB2 H 2.48 0.02 1 371 354 50 ASN HB3 H 3.20 0.02 1 372 354 50 ASN CA C 52.30 0.10 1 373 354 50 ASN CB C 37.26 0.10 1 374 354 50 ASN N N 118.58 0.10 1 375 355 51 SER H H 7.68 0.02 1 376 355 51 SER HA H 4.50 0.02 1 377 355 51 SER HB2 H 3.74 0.02 2 378 355 51 SER HB3 H 3.74 0.02 2 379 355 51 SER CA C 57.39 0.10 1 380 355 51 SER CB C 64.65 0.10 1 381 355 51 SER N N 113.71 0.10 1 382 356 52 ASN H H 7.95 0.02 1 383 356 52 ASN HA H 4.13 0.02 1 384 356 52 ASN HB2 H 2.67 0.02 1 385 356 52 ASN HB3 H 3.11 0.02 1 386 356 52 ASN CA C 53.97 0.10 1 387 356 52 ASN CB C 37.35 0.10 1 388 356 52 ASN N N 117.96 0.10 1 389 357 53 GLY H H 8.88 0.02 1 390 357 53 GLY HA2 H 3.25 0.02 1 391 357 53 GLY HA3 H 3.91 0.02 1 392 357 53 GLY CA C 46.74 0.10 1 393 357 53 GLY N N 106.50 0.10 1 394 358 54 GLU H H 7.39 0.02 1 395 358 54 GLU HA H 4.24 0.02 1 396 358 54 GLU HB2 H 1.75 0.02 1 397 358 54 GLU HB3 H 2.19 0.02 1 398 358 54 GLU CA C 56.16 0.10 1 399 358 54 GLU CB C 28.49 0.10 1 400 358 54 GLU N N 122.09 0.10 1 401 359 55 PRO HA H 4.43 0.02 1 402 359 55 PRO HB2 H 1.88 0.02 1 403 359 55 PRO HB3 H 2.35 0.02 1 404 359 55 PRO CA C 62.61 0.10 1 405 359 55 PRO CB C 32.49 0.10 1 406 360 56 CYS H H 7.88 0.02 1 407 360 56 CYS HA H 4.52 0.02 1 408 360 56 CYS HB2 H 2.43 0.02 1 409 360 56 CYS HB3 H 2.79 0.02 1 410 360 56 CYS CA C 53.36 0.10 1 411 360 56 CYS CB C 36.93 0.10 1 412 360 56 CYS N N 115.74 0.10 1 413 361 57 VAL H H 8.54 0.02 1 414 361 57 VAL HA H 3.92 0.02 1 415 361 57 VAL HB H 1.41 0.02 1 416 361 57 VAL HG1 H 0.83 0.02 1 417 361 57 VAL HG2 H 0.71 0.02 1 418 361 57 VAL CA C 63.55 0.10 1 419 361 57 VAL CB C 32.18 0.10 1 420 361 57 VAL CG1 C 21.18 0.10 1 421 361 57 VAL CG2 C 22.41 0.10 1 422 361 57 VAL N N 126.06 0.10 1 423 362 58 LEU H H 7.71 0.02 1 424 362 58 LEU HA H 4.84 0.02 1 425 362 58 LEU HB2 H 1.16 0.02 1 426 362 58 LEU HB3 H 1.77 0.02 1 427 362 58 LEU HG H 1.11 0.02 1 428 362 58 LEU CA C 50.30 0.10 1 429 362 58 LEU CB C 44.49 0.10 1 430 362 58 LEU N N 121.20 0.10 1 431 363 59 PRO HA H 4.95 0.02 1 432 363 59 PRO HB2 H 1.44 0.02 2 433 363 59 PRO HB3 H 1.44 0.02 2 434 363 59 PRO CA C 62.72 0.10 1 435 363 59 PRO CB C 35.54 0.10 1 436 364 60 PHE H H 8.26 0.02 1 437 364 60 PHE HA H 5.57 0.02 1 438 364 60 PHE HB2 H 3.29 0.02 1 439 364 60 PHE HB3 H 3.72 0.02 1 440 364 60 PHE CA C 55.62 0.10 1 441 364 60 PHE CB C 42.14 0.10 1 442 364 60 PHE N N 113.32 0.10 1 443 365 61 THR H H 8.86 0.02 1 444 365 61 THR HA H 5.66 0.02 1 445 365 61 THR HB H 4.20 0.02 1 446 365 61 THR HG2 H 1.19 0.02 1 447 365 61 THR CA C 60.48 0.10 1 448 365 61 THR CB C 71.22 0.10 1 449 365 61 THR CG2 C 21.71 0.10 1 450 365 61 THR N N 113.92 0.10 1 451 366 62 TYR H H 9.11 0.02 1 452 366 62 TYR HA H 5.24 0.02 1 453 366 62 TYR HB2 H 3.06 0.02 1 454 366 62 TYR HB3 H 3.68 0.02 1 455 366 62 TYR CA C 57.29 0.10 1 456 366 62 TYR CB C 41.24 0.10 1 457 366 62 TYR N N 123.28 0.10 1 458 367 63 ASN H H 9.48 0.02 1 459 367 63 ASN HA H 4.23 0.02 1 460 367 63 ASN HB2 H 1.71 0.02 1 461 367 63 ASN HB3 H 2.92 0.02 1 462 367 63 ASN CA C 53.35 0.10 1 463 367 63 ASN CB C 37.06 0.10 1 464 367 63 ASN N N 129.11 0.10 1 465 368 64 GLY H H 8.78 0.02 1 466 368 64 GLY HA2 H 3.64 0.02 1 467 368 64 GLY HA3 H 4.10 0.02 1 468 368 64 GLY CA C 45.72 0.10 1 469 368 64 GLY N N 103.51 0.10 1 470 369 65 ARG H H 7.92 0.02 1 471 369 65 ARG HA H 4.54 0.02 1 472 369 65 ARG HB2 H 1.51 0.02 1 473 369 65 ARG HB3 H 1.76 0.02 1 474 369 65 ARG HD2 H 3.08 0.02 1 475 369 65 ARG HD3 H 3.11 0.02 1 476 369 65 ARG HG2 H 1.26 0.02 1 477 369 65 ARG HG3 H 1.50 0.02 1 478 369 65 ARG CA C 54.69 0.10 1 479 369 65 ARG CB C 33.16 0.10 1 480 369 65 ARG CD C 43.74 0.10 1 481 369 65 ARG CG C 27.05 0.10 1 482 369 65 ARG N N 121.66 0.10 1 483 370 66 THR H H 8.07 0.02 1 484 370 66 THR HA H 4.50 0.02 1 485 370 66 THR HB H 3.67 0.02 1 486 370 66 THR HG2 H 0.72 0.02 1 487 370 66 THR CA C 62.44 0.10 1 488 370 66 THR CB C 69.84 0.10 1 489 370 66 THR CG2 C 22.49 0.10 1 490 370 66 THR N N 117.79 0.10 1 491 371 67 PHE H H 9.00 0.02 1 492 371 67 PHE HA H 4.26 0.02 1 493 371 67 PHE HB2 H 2.59 0.02 2 494 371 67 PHE HB3 H 2.59 0.02 2 495 371 67 PHE CA C 57.73 0.10 1 496 371 67 PHE CB C 41.06 0.10 1 497 371 67 PHE N N 126.23 0.10 1 498 372 68 TYR H H 8.86 0.02 1 499 372 68 TYR HA H 4.28 0.02 1 500 372 68 TYR HB2 H 2.64 0.02 1 501 372 68 TYR HB3 H 3.42 0.02 1 502 372 68 TYR CA C 58.41 0.10 1 503 372 68 TYR CB C 39.49 0.10 1 504 372 68 TYR N N 119.04 0.10 1 505 373 69 SER H H 7.78 0.02 1 506 373 69 SER HA H 4.60 0.02 1 507 373 69 SER HB2 H 3.86 0.02 1 508 373 69 SER HB3 H 4.19 0.02 1 509 373 69 SER CA C 56.50 0.10 1 510 373 69 SER CB C 66.00 0.10 1 511 373 69 SER N N 112.48 0.10 1 512 374 70 CYS H H 8.29 0.02 1 513 374 70 CYS HA H 4.65 0.02 1 514 374 70 CYS HB2 H 2.70 0.02 1 515 374 70 CYS HB3 H 3.42 0.02 1 516 374 70 CYS CA C 59.03 0.10 1 517 374 70 CYS CB C 46.78 0.10 1 518 374 70 CYS N N 112.96 0.10 1 519 375 71 THR H H 8.57 0.02 1 520 375 71 THR HA H 4.78 0.02 1 521 375 71 THR HB H 3.59 0.02 1 522 375 71 THR HG2 H -0.19 0.02 1 523 375 71 THR CA C 59.32 0.10 1 524 375 71 THR CB C 69.90 0.10 1 525 375 71 THR CG2 C 16.59 0.10 1 526 375 71 THR N N 115.89 0.10 1 527 376 72 THR H H 7.93 0.02 1 528 376 72 THR HA H 4.98 0.02 1 529 376 72 THR HB H 4.46 0.02 1 530 376 72 THR HG2 H 1.11 0.02 1 531 376 72 THR CA C 61.54 0.10 1 532 376 72 THR CB C 70.08 0.10 1 533 376 72 THR CG2 C 21.81 0.10 1 534 376 72 THR N N 113.64 0.10 1 535 377 73 GLU H H 8.53 0.02 1 536 377 73 GLU HA H 4.18 0.02 1 537 377 73 GLU HB2 H 2.14 0.02 2 538 377 73 GLU HB3 H 2.14 0.02 2 539 377 73 GLU HG2 H 2.55 0.02 2 540 377 73 GLU HG3 H 2.55 0.02 2 541 377 73 GLU CA C 58.60 0.10 1 542 377 73 GLU CB C 30.23 0.10 1 543 377 73 GLU CG C 36.56 0.10 1 544 377 73 GLU N N 125.30 0.10 1 545 378 74 GLY H H 8.85 0.02 1 546 378 74 GLY HA2 H 4.10 0.02 1 547 378 74 GLY HA3 H 4.64 0.02 1 548 378 74 GLY CA C 45.85 0.10 1 549 378 74 GLY N N 110.25 0.10 1 550 380 76 GLN HA H 4.52 0.02 1 551 380 76 GLN HB2 H 1.95 0.02 1 552 380 76 GLN HB3 H 2.26 0.02 1 553 380 76 GLN HG2 H 2.37 0.02 2 554 380 76 GLN HG3 H 2.37 0.02 2 555 380 76 GLN CA C 56.21 0.10 1 556 380 76 GLN CB C 29.26 0.10 1 557 381 77 ASP H H 7.84 0.02 1 558 381 77 ASP HA H 4.51 0.02 1 559 381 77 ASP HB2 H 2.62 0.02 1 560 381 77 ASP HB3 H 2.98 0.02 1 561 381 77 ASP CA C 53.19 0.10 1 562 381 77 ASP CB C 41.21 0.10 1 563 381 77 ASP N N 116.41 0.10 1 564 382 78 GLY H H 8.06 0.02 1 565 382 78 GLY HA2 H 3.74 0.02 1 566 382 78 GLY HA3 H 3.98 0.02 1 567 382 78 GLY CA C 46.04 0.10 1 568 382 78 GLY N N 107.61 0.10 1 569 383 79 HIS H H 7.63 0.02 1 570 383 79 HIS HA H 4.44 0.02 1 571 383 79 HIS HB2 H 2.68 0.02 1 572 383 79 HIS HB3 H 2.72 0.02 1 573 383 79 HIS CA C 56.73 0.10 1 574 383 79 HIS CB C 29.99 0.10 1 575 383 79 HIS N N 118.34 0.10 1 576 384 80 LEU H H 8.16 0.02 1 577 384 80 LEU HA H 4.40 0.02 1 578 384 80 LEU HB2 H 1.25 0.02 1 579 384 80 LEU HB3 H 1.89 0.02 1 580 384 80 LEU HD1 H 0.73 0.02 1 581 384 80 LEU HD2 H 0.73 0.02 1 582 384 80 LEU HG H 1.63 0.02 1 583 384 80 LEU CA C 54.57 0.10 1 584 384 80 LEU CB C 45.03 0.10 1 585 384 80 LEU CD1 C 25.54 0.10 1 586 384 80 LEU CD2 C 24.81 0.10 1 587 384 80 LEU CG C 27.21 0.10 1 588 384 80 LEU N N 122.57 0.10 1 589 385 81 TRP H H 9.61 0.02 1 590 385 81 TRP HA H 5.85 0.02 1 591 385 81 TRP HB2 H 2.91 0.02 1 592 385 81 TRP HB3 H 3.35 0.02 1 593 385 81 TRP CA C 56.05 0.10 1 594 385 81 TRP CB C 33.41 0.10 1 595 385 81 TRP N N 121.45 0.10 1 596 386 82 CYS H H 8.86 0.02 1 597 386 82 CYS HA H 4.10 0.02 1 598 386 82 CYS HB2 H 2.85 0.02 1 599 386 82 CYS HB3 H 3.37 0.02 1 600 386 82 CYS CA C 53.15 0.10 1 601 386 82 CYS CB C 43.14 0.10 1 602 386 82 CYS N N 110.30 0.10 1 603 387 83 SER H H 3.90 0.02 1 604 387 83 SER N N 111.42 0.10 1 605 388 84 THR H H 8.06 0.02 1 606 388 84 THR HA H 4.70 0.02 1 607 388 84 THR HB H 4.42 0.02 1 608 388 84 THR HG2 H 0.91 0.02 1 609 388 84 THR CA C 61.84 0.10 1 610 388 84 THR CB C 67.64 0.10 1 611 388 84 THR CG2 C 23.08 0.10 1 612 388 84 THR N N 115.07 0.10 1 613 389 85 THR H H 8.01 0.02 1 614 389 85 THR HA H 4.94 0.02 1 615 389 85 THR HB H 4.55 0.02 1 616 389 85 THR HG2 H 0.70 0.02 1 617 389 85 THR CA C 59.83 0.10 1 618 389 85 THR CB C 71.81 0.10 1 619 389 85 THR N N 110.25 0.10 1 620 390 86 SER HA H 4.53 0.02 1 621 390 86 SER HB2 H 4.07 0.02 1 622 390 86 SER HB3 H 4.29 0.02 1 623 390 86 SER CA C 60.83 0.10 1 624 390 86 SER CB C 63.84 0.10 1 625 391 87 ASN H H 7.95 0.02 1 626 391 87 ASN HA H 5.23 0.02 1 627 391 87 ASN HB2 H 2.23 0.02 1 628 391 87 ASN HB3 H 3.09 0.02 1 629 391 87 ASN CA C 51.30 0.10 1 630 391 87 ASN CB C 38.72 0.10 1 631 391 87 ASN N N 120.42 0.10 1 632 392 88 TYR H H 8.92 0.02 1 633 392 88 TYR HA H 4.92 0.02 1 634 392 88 TYR HB2 H 3.46 0.02 1 635 392 88 TYR HB3 H 3.59 0.02 1 636 392 88 TYR CA C 61.91 0.10 1 637 392 88 TYR CB C 38.43 0.10 1 638 392 88 TYR N N 125.71 0.10 1 639 393 89 GLU H H 8.81 0.02 1 640 393 89 GLU HA H 3.90 0.02 1 641 393 89 GLU HB2 H 2.26 0.02 1 642 393 89 GLU HB3 H 2.17 0.02 1 643 393 89 GLU HG2 H 2.57 0.02 1 644 393 89 GLU HG3 H 2.26 0.02 1 645 393 89 GLU CA C 59.99 0.10 1 646 393 89 GLU CB C 29.48 0.10 1 647 393 89 GLU CG C 37.42 0.10 1 648 393 89 GLU N N 116.54 0.10 1 649 394 90 GLN H H 7.04 0.02 1 650 394 90 GLN HA H 4.17 0.02 1 651 394 90 GLN HB2 H 1.85 0.02 1 652 394 90 GLN HB3 H 2.04 0.02 1 653 394 90 GLN HG2 H 2.88 0.02 2 654 394 90 GLN HG3 H 2.88 0.02 2 655 394 90 GLN CA C 57.54 0.10 1 656 394 90 GLN CB C 30.86 0.10 1 657 394 90 GLN CG C 34.24 0.10 1 658 394 90 GLN N N 114.37 0.10 1 659 395 91 ASP H H 7.92 0.02 1 660 395 91 ASP HA H 4.46 0.02 1 661 395 91 ASP HB2 H 2.49 0.02 1 662 395 91 ASP HB3 H 2.69 0.02 1 663 395 91 ASP CA C 56.45 0.10 1 664 395 91 ASP CB C 41.54 0.10 1 665 395 91 ASP N N 117.13 0.10 1 666 396 92 GLN H H 8.85 0.02 1 667 396 92 GLN HA H 2.74 0.02 1 668 396 92 GLN HB2 H 1.92 0.02 1 669 396 92 GLN HB3 H 2.03 0.02 1 670 396 92 GLN HG2 H 1.94 0.02 2 671 396 92 GLN HG3 H 1.94 0.02 2 672 396 92 GLN CA C 56.35 0.10 1 673 396 92 GLN CB C 26.32 0.10 1 674 396 92 GLN CG C 34.19 0.10 1 675 396 92 GLN N N 115.52 0.10 1 676 397 93 LYS H H 8.58 0.02 1 677 397 93 LYS HA H 5.03 0.02 1 678 397 93 LYS HB2 H 1.50 0.02 1 679 397 93 LYS HB3 H 1.85 0.02 1 680 397 93 LYS HD2 H 1.37 0.02 1 681 397 93 LYS HD3 H 1.48 0.02 1 682 397 93 LYS HG2 H 1.17 0.02 1 683 397 93 LYS HG3 H 1.31 0.02 1 684 397 93 LYS CA C 54.62 0.10 1 685 397 93 LYS CB C 33.52 0.10 1 686 397 93 LYS CD C 28.58 0.10 1 687 397 93 LYS CE C 42.03 0.10 1 688 397 93 LYS CG C 23.88 0.10 1 689 397 93 LYS N N 119.71 0.10 1 690 398 94 TYR H H 9.19 0.02 1 691 398 94 TYR HA H 5.77 0.02 1 692 398 94 TYR HB2 H 2.86 0.02 1 693 398 94 TYR HB3 H 3.11 0.02 1 694 398 94 TYR CA C 55.93 0.10 1 695 398 94 TYR CB C 43.32 0.10 1 696 398 94 TYR N N 119.36 0.10 1 697 399 95 SER H H 8.40 0.02 1 698 399 95 SER HA H 4.52 0.02 1 699 399 95 SER HB2 H 3.29 0.02 1 700 399 95 SER HB3 H 3.69 0.02 1 701 399 95 SER CA C 57.13 0.10 1 702 399 95 SER CB C 67.93 0.10 1 703 399 95 SER N N 118.04 0.10 1 704 400 96 PHE H H 8.01 0.02 1 705 400 96 PHE HA H 5.67 0.02 1 706 400 96 PHE HB2 H 1.74 0.02 1 707 400 96 PHE HB3 H 2.81 0.02 1 708 400 96 PHE CA C 56.03 0.10 1 709 400 96 PHE CB C 37.93 0.10 1 710 400 96 PHE N N 118.48 0.10 1 711 401 97 CYS H H 7.98 0.02 1 712 401 97 CYS HA H 5.53 0.02 1 713 401 97 CYS HB2 H 3.20 0.02 2 714 401 97 CYS HB3 H 3.20 0.02 2 715 401 97 CYS CA C 53.29 0.10 1 716 401 97 CYS CB C 45.69 0.10 1 717 401 97 CYS N N 115.79 0.10 1 718 402 98 THR H H 8.59 0.02 1 719 402 98 THR HA H 4.49 0.02 1 720 402 98 THR HB H 4.33 0.02 1 721 402 98 THR HG2 H 1.31 0.02 1 722 402 98 THR CA C 62.88 0.10 1 723 402 98 THR CB C 69.79 0.10 1 724 402 98 THR CG2 C 22.28 0.10 1 725 402 98 THR N N 114.89 0.10 1 726 403 99 ASP H H 8.14 0.02 1 727 403 99 ASP HA H 4.59 0.02 1 728 403 99 ASP HB2 H 2.66 0.02 1 729 403 99 ASP HB3 H 2.73 0.02 1 730 403 99 ASP CA C 54.39 0.10 1 731 403 99 ASP CB C 42.10 0.10 1 732 403 99 ASP N N 120.91 0.10 1 733 404 100 HIS H H 8.32 0.02 1 734 404 100 HIS HA H 4.71 0.02 1 735 404 100 HIS HB2 H 3.06 0.02 1 736 404 100 HIS HB3 H 3.16 0.02 1 737 404 100 HIS CA C 55.98 0.10 1 738 404 100 HIS CB C 30.96 0.10 1 739 404 100 HIS N N 118.98 0.10 1 740 405 101 THR H H 8.06 0.02 1 741 405 101 THR HA H 4.21 0.02 1 742 405 101 THR HB H 4.04 0.02 1 743 405 101 THR HG2 H 1.14 0.02 1 744 405 101 THR CA C 62.44 0.10 1 745 405 101 THR CB C 69.84 0.10 1 746 405 101 THR CG2 C 21.61 0.10 1 747 405 101 THR N N 118.01 0.10 1 748 406 102 VAL H H 8.31 0.02 1 749 406 102 VAL HA H 4.10 0.02 1 750 406 102 VAL HB H 2.14 0.02 1 751 406 102 VAL HG1 H 0.97 0.02 2 752 406 102 VAL HG2 H 0.97 0.02 2 753 406 102 VAL CA C 62.59 0.10 1 754 406 102 VAL CB C 32.15 0.10 1 755 406 102 VAL CG1 C 21.33 0.10 2 756 406 102 VAL CG2 C 21.33 0.10 2 757 406 102 VAL N N 125.11 0.10 1 758 407 103 LEU H H 8.27 0.02 1 759 407 103 LEU HA H 4.62 0.02 1 760 407 103 LEU HB2 H 1.25 0.02 1 761 407 103 LEU HB3 H 1.83 0.02 1 762 407 103 LEU HD1 H 0.86 0.02 1 763 407 103 LEU HD2 H 0.86 0.02 1 764 407 103 LEU HG H 1.80 0.02 1 765 407 103 LEU CA C 53.75 0.10 1 766 407 103 LEU CB C 42.86 0.10 1 767 407 103 LEU CD1 C 23.67 0.10 1 768 407 103 LEU CD2 C 22.49 0.10 1 769 407 103 LEU CG C 26.29 0.10 1 770 407 103 LEU N N 128.57 0.10 1 771 408 104 VAL H H 8.95 0.02 1 772 408 104 VAL HA H 4.07 0.02 1 773 408 104 VAL HB H 1.74 0.02 1 774 408 104 VAL HG1 H 1.02 0.02 1 775 408 104 VAL HG2 H 0.80 0.02 1 776 408 104 VAL CA C 61.91 0.10 1 777 408 104 VAL CB C 33.44 0.10 1 778 408 104 VAL CG1 C 21.99 0.10 1 779 408 104 VAL CG2 C 21.99 0.10 1 780 408 104 VAL N N 125.84 0.10 1 781 409 105 GLN H H 8.67 0.02 1 782 409 105 GLN HA H 4.09 0.02 1 783 409 105 GLN HB2 H 1.88 0.02 1 784 409 105 GLN HB3 H 2.16 0.02 1 785 409 105 GLN HG2 H 2.38 0.02 2 786 409 105 GLN HG3 H 2.38 0.02 2 787 409 105 GLN CA C 56.80 0.10 1 788 409 105 GLN CB C 30.18 0.10 1 789 409 105 GLN CG C 34.96 0.10 1 790 409 105 GLN N N 127.22 0.10 1 791 410 106 THR H H 7.02 0.02 1 792 410 106 THR HA H 4.84 0.02 1 793 410 106 THR HB H 3.95 0.02 1 794 410 106 THR HG2 H 0.96 0.02 1 795 410 106 THR CA C 61.11 0.10 1 796 410 106 THR CB C 73.03 0.10 1 797 410 106 THR CG2 C 22.61 0.10 1 798 410 106 THR N N 113.24 0.10 1 799 411 107 ARG H H 8.60 0.02 1 800 411 107 ARG HA H 4.72 0.02 1 801 411 107 ARG HB2 H 1.83 0.02 1 802 411 107 ARG HB3 H 1.73 0.02 1 803 411 107 ARG HG2 H 1.68 0.02 2 804 411 107 ARG HG3 H 1.68 0.02 2 805 411 107 ARG HD2 H 3.17 0.02 2 806 411 107 ARG HD3 H 3.17 0.02 2 807 411 107 ARG CA C 54.19 0.10 1 808 411 107 ARG CB C 33.76 0.10 1 809 411 107 ARG CD C 43.61 0.10 1 810 411 107 ARG CG C 27.06 0.10 1 811 411 107 ARG N N 115.55 0.10 1 812 412 108 GLY H H 8.73 0.02 1 813 412 108 GLY HA2 H 3.87 0.02 1 814 412 108 GLY HA3 H 4.20 0.02 1 815 412 108 GLY CA C 45.92 0.10 1 816 412 108 GLY N N 108.18 0.10 1 817 413 109 GLY H H 8.71 0.02 1 818 413 109 GLY HA2 H 2.91 0.02 1 819 413 109 GLY HA3 H 3.22 0.02 1 820 413 109 GLY CA C 46.38 0.10 1 821 413 109 GLY N N 109.02 0.10 1 822 414 110 ASN H H 7.27 0.02 1 823 414 110 ASN HA H 5.00 0.02 1 824 414 110 ASN HB2 H 2.64 0.02 1 825 414 110 ASN HB3 H 3.32 0.02 1 826 414 110 ASN CA C 51.08 0.10 1 827 414 110 ASN CB C 38.06 0.10 1 828 414 110 ASN N N 120.48 0.10 1 829 415 111 SER H H 6.62 0.02 1 830 415 111 SER HA H 4.80 0.02 1 831 415 111 SER HB2 H 3.65 0.02 1 832 415 111 SER HB3 H 4.13 0.02 1 833 415 111 SER CA C 59.01 0.10 1 834 415 111 SER CB C 64.74 0.10 1 835 415 111 SER N N 108.37 0.10 1 836 416 112 ASN H H 8.86 0.02 1 837 416 112 ASN HA H 4.24 0.02 1 838 416 112 ASN HB2 H 2.36 0.02 1 839 416 112 ASN HB3 H 2.57 0.02 1 840 416 112 ASN CA C 54.41 0.10 1 841 416 112 ASN CB C 38.12 0.10 1 842 416 112 ASN N N 116.57 0.10 1 843 417 113 GLY H H 9.61 0.02 1 844 417 113 GLY HA2 H 4.09 0.02 2 845 417 113 GLY HA3 H 4.09 0.02 2 846 417 113 GLY CA C 45.94 0.10 1 847 417 113 GLY N N 108.03 0.10 1 848 418 114 ALA H H 7.33 0.02 1 849 418 114 ALA HA H 4.58 0.02 1 850 418 114 ALA HB H 1.93 0.02 1 851 418 114 ALA CA C 52.30 0.10 1 852 418 114 ALA CB C 20.01 0.10 1 853 418 114 ALA N N 119.80 0.10 1 854 419 115 LEU H H 8.85 0.02 1 855 419 115 LEU HA H 4.83 0.02 1 856 419 115 LEU HB2 H 1.45 0.02 1 857 419 115 LEU HB3 H 1.59 0.02 1 858 419 115 LEU HG H 1.59 0.02 1 859 419 115 LEU HD1 H 0.73 0.02 2 860 419 115 LEU HD2 H 0.73 0.02 2 861 419 115 LEU CA C 54.32 0.10 1 862 419 115 LEU CB C 42.24 0.10 1 863 419 115 LEU CD1 C 23.51 0.10 2 864 419 115 LEU CD2 C 23.51 0.10 2 865 419 115 LEU CG C 27.23 0.10 1 866 419 115 LEU N N 119.38 0.10 1 867 420 116 CYS H H 8.41 0.02 1 868 420 116 CYS HA H 4.10 0.02 1 869 420 116 CYS HB2 H 1.52 0.02 1 870 420 116 CYS HB3 H 1.85 0.02 1 871 420 116 CYS CA C 54.39 0.10 1 872 420 116 CYS CB C 38.45 0.10 1 873 420 116 CYS N N 116.41 0.10 1 874 421 117 HIS H H 8.64 0.02 1 875 421 117 HIS HA H 4.27 0.02 1 876 421 117 HIS HB2 H 2.36 0.02 1 877 421 117 HIS HB3 H 2.86 0.02 1 878 421 117 HIS CA C 54.61 0.10 1 879 421 117 HIS CB C 28.94 0.10 1 880 421 117 HIS N N 124.08 0.10 1 881 422 118 PHE H H 7.94 0.02 1 882 422 118 PHE HA H 5.65 0.02 1 883 422 118 PHE HB2 H 2.89 0.02 2 884 422 118 PHE HB3 H 2.89 0.02 2 885 422 118 PHE CA C 52.05 0.10 1 886 422 118 PHE CB C 40.38 0.10 1 887 422 118 PHE N N 121.56 0.10 1 888 423 119 PRO HA H 3.93 0.02 1 889 423 119 PRO HB2 H 1.83 0.02 1 890 423 119 PRO HB3 H 2.04 0.02 1 891 423 119 PRO CA C 62.86 0.10 1 892 423 119 PRO CB C 34.87 0.10 1 893 424 120 PHE H H 8.70 0.02 1 894 424 120 PHE HA H 5.88 0.02 1 895 424 120 PHE HB2 H 3.18 0.02 1 896 424 120 PHE HB3 H 4.14 0.02 1 897 424 120 PHE CA C 55.46 0.10 1 898 424 120 PHE CB C 41.49 0.10 1 899 424 120 PHE N N 115.78 0.10 1 900 425 121 LEU H H 8.75 0.02 1 901 425 121 LEU HA H 5.07 0.02 1 902 425 121 LEU HB2 H 1.75 0.02 1 903 425 121 LEU HB3 H 2.20 0.02 1 904 425 121 LEU HD1 H 0.98 0.02 1 905 425 121 LEU HD2 H 0.72 0.02 1 906 425 121 LEU HG H 1.75 0.02 1 907 425 121 LEU CA C 54.85 0.10 1 908 425 121 LEU CB C 44.54 0.10 1 909 425 121 LEU CD1 C 25.95 0.10 1 910 425 121 LEU CD2 C 24.57 0.10 1 911 425 121 LEU CG C 27.52 0.10 1 912 425 121 LEU N N 124.44 0.10 1 913 426 122 TYR H H 9.51 0.02 1 914 426 122 TYR HA H 5.69 0.02 1 915 426 122 TYR HB2 H 3.11 0.02 1 916 426 122 TYR HB3 H 3.42 0.02 1 917 426 122 TYR CA C 55.39 0.10 1 918 426 122 TYR CB C 40.58 0.10 1 919 426 122 TYR N N 126.74 0.10 1 920 427 123 ASN H H 11.94 0.02 1 921 427 123 ASN HA H 4.23 0.02 1 922 427 123 ASN HB2 H 2.09 0.02 1 923 427 123 ASN HB3 H 2.92 0.02 1 924 427 123 ASN CA C 53.24 0.10 1 925 427 123 ASN CB C 36.40 0.10 1 926 427 123 ASN N N 135.57 0.10 1 927 428 124 ASN H H 9.27 0.02 1 928 428 124 ASN HA H 4.14 0.02 1 929 428 124 ASN HB2 H 2.68 0.02 1 930 428 124 ASN HB3 H 3.13 0.02 1 931 428 124 ASN CA C 55.09 0.10 1 932 428 124 ASN CB C 38.87 0.10 1 933 428 124 ASN N N 110.29 0.10 1 934 429 125 HIS H H 7.96 0.02 1 935 429 125 HIS HA H 4.74 0.02 1 936 429 125 HIS HB2 H 3.00 0.02 1 937 429 125 HIS HB3 H 3.15 0.02 1 938 429 125 HIS CA C 55.00 0.10 1 939 429 125 HIS CB C 32.52 0.10 1 940 429 125 HIS N N 117.37 0.10 1 941 430 126 ASN H H 8.33 0.02 1 942 430 126 ASN HA H 5.19 0.02 1 943 430 126 ASN HB2 H 2.17 0.02 1 944 430 126 ASN HB3 H 2.52 0.02 1 945 430 126 ASN CA C 52.50 0.10 1 946 430 126 ASN CB C 40.87 0.10 1 947 430 126 ASN N N 122.21 0.10 1 948 431 127 TYR H H 9.19 0.02 1 949 431 127 TYR HA H 4.32 0.02 1 950 431 127 TYR HB2 H 1.49 0.02 1 951 431 127 TYR HB3 H 2.55 0.02 1 952 431 127 TYR CA C 58.55 0.10 1 953 431 127 TYR CB C 40.60 0.10 1 954 431 127 TYR N N 125.04 0.10 1 955 432 128 THR H H 8.50 0.02 1 956 432 128 THR HA H 4.45 0.02 1 957 432 128 THR HB H 4.23 0.02 1 958 432 128 THR HG2 H 1.00 0.02 1 959 432 128 THR CA C 60.38 0.10 1 960 432 128 THR CB C 68.33 0.10 1 961 432 128 THR CG2 C 21.98 0.10 1 962 432 128 THR N N 110.10 0.10 1 963 433 129 ASP H H 7.57 0.02 1 964 433 129 ASP HA H 3.99 0.02 1 965 433 129 ASP HB2 H 2.40 0.02 1 966 433 129 ASP HB3 H 2.54 0.02 1 967 433 129 ASP CA C 51.70 0.10 1 968 433 129 ASP CB C 43.83 0.10 1 969 433 129 ASP N N 118.57 0.10 1 970 434 130 CYS H H 9.03 0.02 1 971 434 130 CYS HA H 4.68 0.02 1 972 434 130 CYS HB2 H 2.70 0.02 1 973 434 130 CYS HB3 H 3.54 0.02 1 974 434 130 CYS CA C 59.84 0.10 1 975 434 130 CYS CB C 48.77 0.10 1 976 434 130 CYS N N 116.61 0.10 1 977 435 131 THR H H 8.90 0.02 1 978 435 131 THR HA H 4.86 0.02 1 979 435 131 THR HG2 H 1.95 0.02 1 980 435 131 THR CA C 59.46 0.10 1 981 435 131 THR CB C 70.47 0.10 1 982 435 131 THR CG2 C 17.14 0.10 1 983 435 131 THR N N 116.70 0.10 1 984 436 132 SER H H 8.64 0.02 1 985 436 132 SER HA H 5.25 0.02 1 986 436 132 SER HB2 H 3.61 0.02 1 987 436 132 SER HB3 H 4.11 0.02 1 988 436 132 SER CA C 57.88 0.10 1 989 436 132 SER CB C 64.70 0.10 1 990 436 132 SER N N 119.48 0.10 1 991 437 133 GLU H H 8.69 0.02 1 992 437 133 GLU HA H 4.24 0.02 1 993 437 133 GLU CA C 58.50 0.10 1 994 437 133 GLU CB C 30.36 0.10 1 995 437 133 GLU N N 125.02 0.10 1 996 438 134 GLY H H 8.85 0.02 1 997 438 134 GLY HA2 H 3.84 0.02 1 998 438 134 GLY HA3 H 4.41 0.02 1 999 438 134 GLY CA C 45.85 0.10 1 1000 438 134 GLY N N 110.25 0.10 1 1001 439 135 ARG H H 7.79 0.02 1 1002 439 135 ARG HA H 4.58 0.02 1 1003 439 135 ARG HB2 H 1.94 0.02 1 1004 439 135 ARG HB3 H 2.08 0.02 1 1005 439 135 ARG CA C 55.29 0.10 1 1006 439 135 ARG CB C 32.50 0.10 1 1007 439 135 ARG N N 117.17 0.10 1 1008 440 136 ARG HA H 4.52 0.02 1 1009 440 136 ARG HB2 H 1.76 0.02 1 1010 440 136 ARG HB3 H 1.99 0.02 1 1011 440 136 ARG HG2 H 1.72 0.02 2 1012 440 136 ARG HG3 H 1.72 0.02 2 1013 440 136 ARG CA C 56.27 0.10 1 1014 440 136 ARG CB C 30.31 0.10 1 1015 440 136 ARG CD C 43.37 0.10 1 1016 440 136 ARG CG C 27.30 0.10 1 1017 441 137 ASP H H 7.68 0.02 1 1018 441 137 ASP HA H 4.57 0.02 1 1019 441 137 ASP HB2 H 2.57 0.02 1 1020 441 137 ASP HB3 H 3.09 0.02 1 1021 441 137 ASP CA C 53.13 0.10 1 1022 441 137 ASP CB C 41.50 0.10 1 1023 441 137 ASP N N 116.63 0.10 1 1024 442 138 ASN H H 8.18 0.02 1 1025 442 138 ASN CA C 54.35 0.10 1 1026 442 138 ASN CB C 38.43 0.10 1 1027 442 138 ASN N N 112.64 0.10 1 1028 443 139 MET HA H 4.06 0.02 1 1029 443 139 MET HB2 H 2.07 0.02 2 1030 443 139 MET HB3 H 2.07 0.02 2 1031 443 139 MET HG2 H 2.37 0.02 2 1032 443 139 MET HG3 H 2.37 0.02 2 1033 443 139 MET CA C 56.04 0.10 1 1034 443 139 MET CB C 33.36 0.10 1 1035 444 140 LYS H H 8.13 0.02 1 1036 444 140 LYS HA H 4.67 0.02 1 1037 444 140 LYS HB2 H 1.44 0.02 1 1038 444 140 LYS HB3 H 2.03 0.02 1 1039 444 140 LYS CA C 55.71 0.10 1 1040 444 140 LYS CB C 34.13 0.10 1 1041 444 140 LYS CD C 29.52 0.10 1 1042 444 140 LYS CE C 42.60 0.10 1 1043 444 140 LYS CG C 25.64 0.10 1 1044 444 140 LYS N N 119.76 0.10 1 1045 445 141 TRP H H 9.75 0.02 1 1046 445 141 TRP HA H 5.55 0.02 1 1047 445 141 TRP HB2 H 2.83 0.02 1 1048 445 141 TRP HB3 H 3.28 0.02 1 1049 445 141 TRP CA C 55.56 0.10 1 1050 445 141 TRP CB C 33.19 0.10 1 1051 445 141 TRP N N 122.92 0.10 1 1052 446 142 CYS H H 8.80 0.02 1 1053 446 142 CYS HA H 4.18 0.02 1 1054 446 142 CYS CA C 52.60 0.10 1 1055 446 142 CYS CB C 42.70 0.10 1 1056 446 142 CYS N N 110.74 0.10 1 1057 447 143 GLY CA C 44.92 0.10 1 1058 448 144 THR H H 8.06 0.02 1 1059 448 144 THR CA C 61.36 0.10 1 1060 448 144 THR CG2 C 22.40 0.10 1 1061 448 144 THR N N 110.47 0.10 1 1062 449 145 THR H H 7.77 0.02 1 1063 449 145 THR HA H 4.39 0.02 1 1064 449 145 THR HB H 4.22 0.02 1 1065 449 145 THR CA C 59.79 0.10 1 1066 449 145 THR CB C 70.88 0.10 1 1067 449 145 THR CG2 C 22.79 0.10 1 1068 449 145 THR N N 110.81 0.10 1 1069 450 146 GLN H H 7.94 0.02 1 1070 450 146 GLN HA H 4.16 0.02 1 1071 450 146 GLN HB2 H 1.76 0.02 1 1072 450 146 GLN HB3 H 1.92 0.02 1 1073 450 146 GLN HG2 H 2.34 0.02 2 1074 450 146 GLN HG3 H 2.34 0.02 2 1075 450 146 GLN CA C 58.30 0.10 1 1076 450 146 GLN CB C 28.92 0.10 1 1077 450 146 GLN CG C 33.51 0.10 1 1078 450 146 GLN N N 112.97 0.10 1 1079 451 147 ASN H H 8.07 0.02 1 1080 451 147 ASN HA H 5.24 0.02 1 1081 451 147 ASN HB2 H 2.56 0.02 1 1082 451 147 ASN HB3 H 3.28 0.02 1 1083 451 147 ASN CA C 51.85 0.10 1 1084 451 147 ASN CB C 38.60 0.10 1 1085 451 147 ASN N N 117.91 0.10 1 1086 452 148 TYR H H 8.52 0.02 1 1087 452 148 TYR HA H 5.32 0.02 1 1088 452 148 TYR HB2 H 3.29 0.02 1 1089 452 148 TYR HB3 H 3.86 0.02 1 1090 452 148 TYR CA C 60.79 0.10 1 1091 452 148 TYR CB C 38.54 0.10 1 1092 452 148 TYR N N 126.65 0.10 1 1093 453 149 ASP H H 8.00 0.02 1 1094 453 149 ASP HA H 4.35 0.02 1 1095 453 149 ASP HB2 H 2.69 0.02 1 1096 453 149 ASP HB3 H 3.05 0.02 1 1097 453 149 ASP CA C 58.33 0.10 1 1098 453 149 ASP CB C 40.01 0.10 1 1099 453 149 ASP N N 122.30 0.10 1 1100 454 150 ALA H H 7.41 0.02 1 1101 454 150 ALA HA H 4.28 0.02 1 1102 454 150 ALA HB H 1.30 0.02 1 1103 454 150 ALA CA C 53.47 0.10 1 1104 454 150 ALA CB C 19.93 0.10 1 1105 454 150 ALA N N 118.31 0.10 1 1106 455 151 ASP H H 8.28 0.02 1 1107 455 151 ASP HA H 4.46 0.02 1 1108 455 151 ASP HB2 H 2.55 0.02 1 1109 455 151 ASP HB3 H 2.85 0.02 1 1110 455 151 ASP CA C 56.30 0.10 1 1111 455 151 ASP CB C 40.71 0.10 1 1112 455 151 ASP N N 116.80 0.10 1 1113 456 152 GLN H H 9.13 0.02 1 1114 456 152 GLN HA H 4.15 0.02 1 1115 456 152 GLN HB2 H 2.10 0.02 1 1116 456 152 GLN HB3 H 2.87 0.02 1 1117 456 152 GLN HG2 H 3.12 0.02 2 1118 456 152 GLN HG3 H 3.12 0.02 2 1119 456 152 GLN CA C 56.38 0.10 1 1120 456 152 GLN CB C 26.04 0.10 1 1121 456 152 GLN CG C 34.13 0.10 1 1122 456 152 GLN N N 114.30 0.10 1 1123 457 153 LYS H H 7.96 0.02 1 1124 457 153 LYS HA H 5.16 0.02 1 1125 457 153 LYS CA C 53.27 0.10 1 1126 457 153 LYS CB C 32.52 0.10 1 1127 457 153 LYS CD C 28.36 0.10 1 1128 457 153 LYS CE C 42.72 0.10 1 1129 457 153 LYS CG C 23.45 0.10 1 1130 457 153 LYS N N 117.35 0.10 1 1131 458 154 PHE H H 9.85 0.02 1 1132 458 154 PHE HA H 5.68 0.02 1 1133 458 154 PHE HB2 H 3.05 0.02 2 1134 458 154 PHE HB3 H 3.05 0.02 2 1135 458 154 PHE CA C 55.90 0.10 1 1136 458 154 PHE CB C 43.90 0.10 1 1137 458 154 PHE N N 123.80 0.10 1 1138 459 155 GLY H H 8.28 0.02 1 1139 459 155 GLY HA2 H 3.43 0.02 1 1140 459 155 GLY HA3 H 3.71 0.02 1 1141 459 155 GLY CA C 44.09 0.10 1 1142 459 155 GLY N N 106.34 0.10 1 1143 460 156 PHE H H 8.60 0.02 1 1144 460 156 PHE HA H 5.19 0.02 1 1145 460 156 PHE HB2 H 3.12 0.02 1 1146 460 156 PHE HB3 H 3.32 0.02 1 1147 460 156 PHE CA C 59.24 0.10 1 1148 460 156 PHE CB C 38.78 0.10 1 1149 460 156 PHE N N 116.82 0.10 1 1150 461 157 CYS H H 8.76 0.02 1 1151 461 157 CYS CA C 54.90 0.10 1 1152 461 157 CYS CB C 43.23 0.10 1 1153 461 157 CYS N N 120.84 0.10 1 1154 462 158 PRO HA H 4.41 0.02 1 1155 462 158 PRO HB2 H 1.97 0.02 1 1156 462 158 PRO HB3 H 2.36 0.02 1 1157 462 158 PRO CA C 63.81 0.10 1 1158 462 158 PRO CB C 32.13 0.10 1 1159 463 159 MET H H 8.39 0.02 1 1160 463 159 MET HA H 4.57 0.02 1 1161 463 159 MET HB2 H 2.14 0.02 2 1162 463 159 MET HB3 H 2.14 0.02 2 1163 463 159 MET HG2 H 2.61 0.02 2 1164 463 159 MET HG3 H 2.61 0.02 2 1165 463 159 MET CA C 54.76 0.10 1 1166 463 159 MET CB C 34.73 0.10 1 1167 463 159 MET CG C 32.36 0.10 1 1168 463 159 MET N N 120.85 0.10 1 1169 464 160 ALA H H 8.60 0.02 1 1170 464 160 ALA HA H 4.33 0.02 1 1171 464 160 ALA HB H 1.34 0.02 1 1172 464 160 ALA CA C 52.14 0.10 1 1173 464 160 ALA CB C 19.78 0.10 1 1174 464 160 ALA N N 124.28 0.10 1 1175 465 161 ALA H H 8.69 0.02 1 1176 465 161 ALA HA H 4.22 0.02 1 1177 465 161 ALA HB H 1.47 0.02 1 1178 465 161 ALA CA C 54.19 0.10 1 1179 465 161 ALA CB C 19.02 0.10 1 1180 465 161 ALA N N 123.39 0.10 1 1181 466 162 HIS H H 7.85 0.02 1 1182 466 162 HIS HA H 4.61 0.02 1 1183 466 162 HIS HB2 H 3.06 0.02 1 1184 466 162 HIS HB3 H 3.25 0.02 1 1185 466 162 HIS CA C 56.81 0.10 1 1186 466 162 HIS CB C 30.33 0.10 1 1187 466 162 HIS N N 113.61 0.10 1 1188 467 163 GLU H H 7.76 0.02 1 1189 467 163 GLU HA H 4.29 0.02 1 1190 467 163 GLU HB2 H 1.95 0.02 2 1191 467 163 GLU HB3 H 1.95 0.02 2 1192 467 163 GLU HG2 H 1.96 0.02 2 1193 467 163 GLU HG3 H 1.96 0.02 2 1194 467 163 GLU CA C 56.26 0.10 1 1195 467 163 GLU CB C 30.62 0.10 1 1196 467 163 GLU CG C 36.60 0.10 1 1197 467 163 GLU N N 120.88 0.10 1 1198 468 164 GLU H H 7.74 0.02 1 1199 468 164 GLU HA H 4.27 0.02 1 1200 468 164 GLU HB2 H 2.00 0.02 2 1201 468 164 GLU HB3 H 2.00 0.02 2 1202 468 164 GLU HG2 H 2.34 0.02 2 1203 468 164 GLU HG3 H 2.34 0.02 2 1204 468 164 GLU CA C 57.50 0.10 1 1205 468 164 GLU CB C 30.95 0.10 1 1206 468 164 GLU CG C 37.02 0.10 1 1207 468 164 GLU N N 121.67 0.10 1 1208 469 165 ILE H H 7.69 0.02 1 1209 469 165 ILE HA H 4.97 0.02 1 1210 469 165 ILE HB H 1.85 0.02 1 1211 469 165 ILE CA C 58.76 0.10 1 1212 469 165 ILE CB C 42.29 0.10 1 1213 469 165 ILE CD1 C 13.24 0.10 1 1214 469 165 ILE CG1 C 26.57 0.10 1 1215 469 165 ILE CG2 C 18.62 0.10 1 1216 469 165 ILE N N 119.04 0.10 1 1217 470 166 CYS H H 9.16 0.02 1 1218 470 166 CYS HA H 4.92 0.02 1 1219 470 166 CYS HB2 H 2.52 0.02 1 1220 470 166 CYS HB3 H 3.00 0.02 1 1221 470 166 CYS CA C 56.46 0.10 1 1222 470 166 CYS CB C 44.69 0.10 1 1223 470 166 CYS N N 119.96 0.10 1 1224 471 167 THR H H 9.18 0.02 1 1225 471 167 THR HA H 5.14 0.02 1 1226 471 167 THR HB H 3.95 0.02 1 1227 471 167 THR HG2 H 1.13 0.02 1 1228 471 167 THR CA C 61.13 0.10 1 1229 471 167 THR CB C 70.26 0.10 1 1230 471 167 THR CG2 C 21.24 0.10 1 1231 471 167 THR N N 118.87 0.10 1 1232 472 168 THR H H 8.61 0.02 1 1233 472 168 THR HA H 4.21 0.02 1 1234 472 168 THR HB H 4.29 0.02 1 1235 472 168 THR HG2 H 0.36 0.02 1 1236 472 168 THR CA C 60.84 0.10 1 1237 472 168 THR CB C 70.59 0.10 1 1238 472 168 THR CG2 C 21.48 0.10 1 1239 472 168 THR N N 115.49 0.10 1 1240 474 170 GLU HA H 4.38 0.02 1 1241 474 170 GLU HB2 H 1.84 0.02 1 1242 474 170 GLU HB3 H 2.22 0.02 1 1243 474 170 GLU HG2 H 2.25 0.02 2 1244 474 170 GLU HG3 H 2.25 0.02 2 1245 474 170 GLU CA C 56.81 0.10 1 1246 474 170 GLU CB C 29.64 0.10 1 1247 474 170 GLU CG C 37.08 0.10 1 1248 475 171 GLY H H 7.87 0.02 1 1249 475 171 GLY HA2 H 3.47 0.02 1 1250 475 171 GLY HA3 H 4.11 0.02 1 1251 475 171 GLY CA C 45.48 0.10 1 1252 475 171 GLY N N 107.62 0.10 1 1253 476 172 VAL H H 6.89 0.02 1 1254 476 172 VAL HA H 3.67 0.02 1 1255 476 172 VAL HB H 1.58 0.02 1 1256 476 172 VAL HG1 H 0.68 0.02 1 1257 476 172 VAL HG2 H 0.36 0.02 1 1258 476 172 VAL CA C 62.68 0.10 1 1259 476 172 VAL CB C 31.56 0.10 1 1260 476 172 VAL CG1 C 21.53 0.10 1 1261 476 172 VAL CG2 C 21.53 0.10 1 1262 476 172 VAL N N 121.13 0.10 1 1263 477 173 MET H H 7.88 0.02 1 1264 477 173 MET HA H 4.91 0.02 1 1265 477 173 MET HB2 H 1.71 0.02 1 1266 477 173 MET HB3 H 1.78 0.02 1 1267 477 173 MET CA C 55.07 0.10 1 1268 477 173 MET CB C 34.91 0.10 1 1269 477 173 MET CG C 32.31 0.10 1 1270 477 173 MET N N 125.10 0.10 1 1271 478 174 TYR H H 8.97 0.02 1 1272 478 174 TYR HA H 4.60 0.02 1 1273 478 174 TYR HB2 H 2.08 0.02 1 1274 478 174 TYR HB3 H 3.21 0.02 1 1275 478 174 TYR CA C 57.53 0.10 1 1276 478 174 TYR CB C 43.19 0.10 1 1277 478 174 TYR N N 122.69 0.10 1 1278 479 175 ARG H H 9.10 0.02 1 1279 479 175 ARG HA H 4.52 0.02 1 1280 479 175 ARG HB2 H 1.77 0.02 1 1281 479 175 ARG HB3 H 1.98 0.02 1 1282 479 175 ARG HG2 H 1.71 0.02 2 1283 479 175 ARG HG3 H 1.71 0.02 2 1284 479 175 ARG HD2 H 3.22 0.02 2 1285 479 175 ARG HD3 H 3.22 0.02 2 1286 479 175 ARG CA C 54.59 0.10 1 1287 479 175 ARG CB C 32.01 0.10 1 1288 479 175 ARG CG C 28.04 0.10 1 1289 479 175 ARG N N 120.18 0.10 1 1290 480 176 ILE H H 8.16 0.02 1 1291 480 176 ILE HA H 3.56 0.02 1 1292 480 176 ILE HB H 1.76 0.02 1 1293 480 176 ILE HG2 H 0.95 0.02 1 1294 480 176 ILE HD1 H 0.95 0.02 1 1295 480 176 ILE CA C 63.64 0.10 1 1296 480 176 ILE CB C 37.10 0.10 1 1297 480 176 ILE CD1 C 13.45 0.10 1 1298 480 176 ILE CG1 C 28.22 0.10 1 1299 480 176 ILE CG2 C 17.09 0.10 1 1300 480 176 ILE N N 119.87 0.10 1 1301 481 177 GLY H H 9.13 0.02 1 1302 481 177 GLY HA2 H 3.54 0.02 1 1303 481 177 GLY HA3 H 4.49 0.02 1 1304 481 177 GLY CA C 44.83 0.10 1 1305 481 177 GLY N N 116.22 0.10 1 1306 482 178 ASP H H 8.49 0.02 1 1307 482 178 ASP HA H 4.76 0.02 1 1308 482 178 ASP HB2 H 2.98 0.02 1 1309 482 178 ASP HB3 H 3.35 0.02 1 1310 482 178 ASP CA C 55.53 0.10 1 1311 482 178 ASP CB C 42.01 0.10 1 1312 482 178 ASP N N 122.20 0.10 1 1313 483 179 GLN H H 8.27 0.02 1 1314 483 179 GLN HA H 5.60 0.02 1 1315 483 179 GLN HB2 H 1.83 0.02 1 1316 483 179 GLN HB3 H 1.89 0.02 1 1317 483 179 GLN HG2 H 3.18 0.02 2 1318 483 179 GLN HG3 H 3.18 0.02 2 1319 483 179 GLN CA C 54.14 0.10 1 1320 483 179 GLN CB C 33.20 0.10 1 1321 483 179 GLN CG C 34.26 0.10 1 1322 483 179 GLN N N 116.09 0.10 1 1323 484 180 TRP H H 8.57 0.02 1 1324 484 180 TRP HA H 4.82 0.02 1 1325 484 180 TRP CA C 56.43 0.10 1 1326 484 180 TRP CB C 31.78 0.10 1 1327 484 180 TRP N N 121.40 0.10 1 1328 485 181 ASP H H 8.41 0.02 1 1329 485 181 ASP HA H 5.67 0.02 1 1330 485 181 ASP HB2 H 2.63 0.02 2 1331 485 181 ASP HB3 H 2.63 0.02 2 1332 485 181 ASP CA C 53.00 0.10 1 1333 485 181 ASP CB C 42.37 0.10 1 1334 485 181 ASP N N 122.25 0.10 1 1335 486 182 LYS H H 8.68 0.02 1 1336 486 182 LYS HA H 4.47 0.02 1 1337 486 182 LYS HD2 H 1.54 0.02 2 1338 486 182 LYS HD3 H 1.54 0.02 2 1339 486 182 LYS HG2 H 1.23 0.02 2 1340 486 182 LYS HG3 H 1.23 0.02 2 1341 486 182 LYS CB C 37.20 0.10 1 1342 486 182 LYS N N 122.14 0.10 1 1343 487 183 GLN H H 8.81 0.02 1 1344 487 183 GLN HA H 4.67 0.02 1 1345 487 183 GLN HB2 H 1.88 0.02 1 1346 487 183 GLN HB3 H 2.03 0.02 1 1347 487 183 GLN HG2 H 2.15 0.02 1 1348 487 183 GLN HG3 H 2.42 0.02 1 1349 487 183 GLN CA C 56.10 0.10 1 1350 487 183 GLN CB C 29.96 0.10 1 1351 487 183 GLN CG C 34.17 0.10 1 1352 487 183 GLN N N 126.79 0.10 1 1353 488 184 HIS H H 9.06 0.02 1 1354 488 184 HIS HA H 4.27 0.02 1 1355 488 184 HIS CA C 57.54 0.10 1 1356 488 184 HIS CB C 31.60 0.10 1 1357 488 184 HIS N N 128.45 0.10 1 1358 489 185 ASP H H 8.03 0.02 1 1359 489 185 ASP HA H 4.35 0.02 1 1360 489 185 ASP HB2 H 2.57 0.02 1 1361 489 185 ASP HB3 H 2.87 0.02 1 1362 489 185 ASP N N 127.97 0.10 1 1363 490 186 MET HA H 4.46 0.02 1 1364 490 186 MET HB2 H 2.40 0.02 2 1365 490 186 MET HB3 H 2.40 0.02 2 1366 490 186 MET HG2 H 2.99 0.02 2 1367 490 186 MET HG3 H 2.99 0.02 2 1368 490 186 MET CA C 57.13 0.10 1 1369 490 186 MET CB C 32.41 0.10 1 1370 491 187 GLY H H 8.23 0.02 1 1371 491 187 GLY HA2 H 3.66 0.02 1 1372 491 187 GLY HA3 H 4.49 0.02 1 1373 491 187 GLY CA C 45.58 0.10 1 1374 491 187 GLY N N 106.32 0.10 1 1375 492 188 HIS H H 7.46 0.02 1 1376 492 188 HIS HA H 4.84 0.02 1 1377 492 188 HIS HB2 H 3.05 0.02 1 1378 492 188 HIS HB3 H 3.24 0.02 1 1379 492 188 HIS CA C 55.47 0.10 1 1380 492 188 HIS CB C 31.34 0.10 1 1381 492 188 HIS N N 117.31 0.10 1 1382 493 189 MET H H 8.67 0.02 1 1383 493 189 MET HA H 5.00 0.02 1 1384 493 189 MET HB2 H 1.80 0.02 2 1385 493 189 MET HB3 H 1.80 0.02 2 1386 493 189 MET HG2 H 2.54 0.02 2 1387 493 189 MET HG3 H 2.54 0.02 2 1388 493 189 MET CA C 54.12 0.10 1 1389 493 189 MET CB C 32.39 0.10 1 1390 493 189 MET CG C 31.89 0.10 1 1391 493 189 MET N N 119.05 0.10 1 1392 494 190 MET H H 8.95 0.02 1 1393 494 190 MET HA H 5.18 0.02 1 1394 494 190 MET HB2 H 1.76 0.02 2 1395 494 190 MET HB3 H 1.76 0.02 2 1396 494 190 MET HG2 H 2.08 0.02 1 1397 494 190 MET HG3 H 2.55 0.02 1 1398 494 190 MET CA C 53.92 0.10 1 1399 494 190 MET CB C 36.53 0.10 1 1400 494 190 MET CG C 31.84 0.10 1 1401 494 190 MET N N 120.93 0.10 1 1402 495 191 ARG H H 8.99 0.02 1 1403 495 191 ARG HA H 4.97 0.02 1 1404 495 191 ARG HB2 H 1.32 0.02 1 1405 495 191 ARG HB3 H 1.69 0.02 1 1406 495 191 ARG HD2 H 3.00 0.02 2 1407 495 191 ARG HD3 H 3.00 0.02 2 1408 495 191 ARG HG2 H 1.35 0.02 1 1409 495 191 ARG HG3 H 1.70 0.02 1 1410 495 191 ARG CA C 54.27 0.10 1 1411 495 191 ARG CB C 32.21 0.10 1 1412 495 191 ARG CD C 43.38 0.10 1 1413 495 191 ARG CG C 26.08 0.10 1 1414 495 191 ARG N N 122.16 0.10 1 1415 496 192 CYS H H 9.53 0.02 1 1416 496 192 CYS HA H 5.48 0.02 1 1417 496 192 CYS CA C 55.17 0.10 1 1418 496 192 CYS CB C 46.47 0.10 1 1419 496 192 CYS N N 129.94 0.10 1 1420 498 194 CYS HA H 4.99 0.02 1 1421 498 194 CYS HB2 H 3.37 0.02 2 1422 498 194 CYS HB3 H 3.37 0.02 2 1423 498 194 CYS CA C 55.19 0.10 1 1424 498 194 CYS CB C 37.17 0.10 1 1425 499 195 VAL H H 8.76 0.02 1 1426 499 195 VAL HA H 4.39 0.02 1 1427 499 195 VAL HB H 2.02 0.02 1 1428 499 195 VAL HG1 H 0.91 0.02 1 1429 499 195 VAL HG2 H 0.91 0.02 1 1430 499 195 VAL CA C 63.28 0.10 1 1431 499 195 VAL CB C 33.14 0.10 1 1432 499 195 VAL CG1 C 21.80 0.10 1 1433 499 195 VAL CG2 C 20.59 0.10 1 1434 499 195 VAL N N 129.70 0.10 1 1435 500 196 GLY H H 9.09 0.02 1 1436 500 196 GLY HA2 H 3.22 0.02 1 1437 500 196 GLY HA3 H 4.34 0.02 1 1438 500 196 GLY CA C 47.94 0.10 1 1439 500 196 GLY N N 108.16 0.10 1 1440 501 197 ASN H H 8.69 0.02 1 1441 501 197 ASN HA H 4.52 0.02 1 1442 501 197 ASN HB2 H 2.93 0.02 1 1443 501 197 ASN HB3 H 3.12 0.02 1 1444 501 197 ASN CA C 54.61 0.10 1 1445 501 197 ASN CB C 37.05 0.10 1 1446 501 197 ASN N N 123.90 0.10 1 1447 502 198 GLY H H 9.86 0.02 1 1448 502 198 GLY HA2 H 3.71 0.02 1 1449 502 198 GLY HA3 H 4.15 0.02 1 1450 502 198 GLY CA C 46.01 0.10 1 1451 502 198 GLY N N 108.83 0.10 1 1452 503 199 ARG H H 7.59 0.02 1 1453 503 199 ARG HA H 4.76 0.02 1 1454 503 199 ARG HB2 H 1.89 0.02 2 1455 503 199 ARG HB3 H 1.89 0.02 2 1456 503 199 ARG HD2 H 3.19 0.02 2 1457 503 199 ARG HD3 H 3.19 0.02 2 1458 503 199 ARG HG2 H 1.55 0.02 2 1459 503 199 ARG HG3 H 1.55 0.02 2 1460 503 199 ARG CA C 54.71 0.10 1 1461 503 199 ARG CB C 31.85 0.10 1 1462 503 199 ARG CD C 43.82 0.10 1 1463 503 199 ARG CG C 26.68 0.10 1 1464 503 199 ARG N N 116.62 0.10 1 1465 504 200 GLY H H 9.56 0.02 1 1466 504 200 GLY HA2 H 3.82 0.02 1 1467 504 200 GLY HA3 H 4.13 0.02 1 1468 504 200 GLY CA C 47.95 0.10 1 1469 504 200 GLY N N 115.20 0.10 1 1470 505 201 GLU H H 8.93 0.02 1 1471 505 201 GLU HA H 3.90 0.02 1 1472 505 201 GLU HB2 H 1.76 0.02 1 1473 505 201 GLU HB3 H 1.92 0.02 1 1474 505 201 GLU CA C 57.36 0.10 1 1475 505 201 GLU CB C 31.40 0.10 1 1476 505 201 GLU CG C 36.47 0.10 1 1477 505 201 GLU N N 119.82 0.10 1 1478 506 202 TRP H H 8.36 0.02 1 1479 506 202 TRP CA C 54.74 0.10 1 1480 506 202 TRP N N 122.95 0.10 1 1481 507 203 THR H H 8.62 0.02 1 1482 507 203 THR HA H 5.60 0.02 1 1483 507 203 THR HB H 4.13 0.02 1 1484 507 203 THR HG2 H 1.19 0.02 1 1485 507 203 THR CA C 60.06 0.10 1 1486 507 203 THR CB C 71.17 0.10 1 1487 507 203 THR N N 113.74 0.10 1 1488 508 204 CYS HA H 5.60 0.02 1 1489 508 204 CYS HB2 H 2.70 0.02 1 1490 508 204 CYS HB3 H 3.19 0.02 1 1491 508 204 CYS CA C 55.55 0.10 1 1492 508 204 CYS CB C 50.23 0.10 1 1493 509 205 ILE H H 8.68 0.02 1 1494 509 205 ILE HA H 4.51 0.02 1 1495 509 205 ILE HB H 1.75 0.02 1 1496 509 205 ILE HG2 H 0.90 0.02 1 1497 509 205 ILE HD1 H 0.90 0.02 1 1498 509 205 ILE CA C 59.29 0.10 1 1499 509 205 ILE CB C 42.02 0.10 1 1500 509 205 ILE CD1 C 13.47 0.10 1 1501 509 205 ILE CG1 C 27.32 0.10 1 1502 509 205 ILE CG2 C 17.31 0.10 1 1503 509 205 ILE N N 121.40 0.10 1 1504 510 206 ALA H H 8.64 0.02 1 1505 510 206 ALA HA H 4.72 0.02 1 1506 510 206 ALA HB H 1.41 0.02 1 1507 510 206 ALA CA C 52.95 0.10 1 1508 510 206 ALA CB C 19.08 0.10 1 1509 510 206 ALA N N 128.23 0.10 1 1510 511 207 TYR H H 8.55 0.02 1 1511 511 207 TYR HA H 4.33 0.02 1 1512 511 207 TYR HB2 H 2.94 0.02 2 1513 511 207 TYR HB3 H 2.94 0.02 2 1514 511 207 TYR CA C 60.22 0.10 1 1515 511 207 TYR CB C 39.29 0.10 1 1516 511 207 TYR N N 122.29 0.10 1 1517 512 208 SER CA C 58.81 0.10 1 1518 512 208 SER CB C 63.55 0.10 1 1519 513 209 GLN H H 8.10 0.02 1 1520 513 209 GLN HA H 4.40 0.02 1 1521 513 209 GLN HB2 H 1.98 0.02 1 1522 513 209 GLN HB3 H 2.23 0.02 1 1523 513 209 GLN HG2 H 2.32 0.02 2 1524 513 209 GLN HG3 H 2.32 0.02 2 1525 513 209 GLN CA C 55.68 0.10 1 1526 513 209 GLN CB C 29.84 0.10 1 1527 513 209 GLN CG C 34.29 0.10 1 1528 513 209 GLN N N 121.76 0.10 1 1529 514 210 LEU H H 7.55 0.02 1 1530 514 210 LEU HA H 4.13 0.02 1 1531 514 210 LEU HB2 H 1.58 0.02 2 1532 514 210 LEU HB3 H 1.58 0.02 2 1533 514 210 LEU HD1 H 0.74 0.02 2 1534 514 210 LEU HD2 H 0.74 0.02 2 1535 514 210 LEU CA C 56.92 0.10 1 1536 514 210 LEU CB C 43.41 0.10 1 1537 514 210 LEU N N 128.33 0.10 1 stop_ save_