data_18990 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; protein structure ; _BMRB_accession_number 18990 _BMRB_flat_file_name bmr18990.str _Entry_type original _Submission_date 2013-01-30 _Accession_date 2013-01-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Noh Yeong J. . 2 Mercier Pascal . . 3 Spratt Donald E. . 4 Shaw Gary S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 660 "13C chemical shifts" 540 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-06-19 update BMRB 'update entry citation' 2012-01-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A molecular explanation for the recessive nature of parkin-linked Parkinson's disease' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Spratt Donald E. . 2 Martinez-Torres 'R. Julio' . . 3 Noh Yeong J. . 4 Mercier Pascal . . 5 Manczyk Noah . . 6 Barber Kathryn R. . 7 Aguirre Jacob D. . 8 Burchell Lynn . . 9 Purkiss Andrew . . 10 Walden Helen . . 11 Shaw Gary S. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 4 _Journal_issue 1983 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name protein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_ZN 'ZINC ION_3' $entity_ZN 'ZINC ION_4' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 15460.624 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; EEYVLQAGGVLCPQPGCGMG LLVEPDCRKVTCQNGCGYVF CRNCLQGYHIGECLPEGTGA SATNSCEYTVDPNRAAEARW DEASNVTIKVSTKPCPKCRT PTERDGGCMHMVCTRAGCGF EWCWVCQTEWTRDCMGAHWF G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 342 GLU 2 343 GLU 3 344 TYR 4 345 VAL 5 346 LEU 6 347 GLN 7 348 ALA 8 349 GLY 9 350 GLY 10 351 VAL 11 352 LEU 12 353 CYS 13 354 PRO 14 355 GLN 15 356 PRO 16 357 GLY 17 358 CYS 18 359 GLY 19 360 MET 20 361 GLY 21 362 LEU 22 363 LEU 23 364 VAL 24 365 GLU 25 366 PRO 26 367 ASP 27 368 CYS 28 369 ARG 29 370 LYS 30 371 VAL 31 372 THR 32 373 CYS 33 374 GLN 34 375 ASN 35 376 GLY 36 377 CYS 37 378 GLY 38 379 TYR 39 380 VAL 40 381 PHE 41 382 CYS 42 383 ARG 43 384 ASN 44 385 CYS 45 386 LEU 46 387 GLN 47 388 GLY 48 389 TYR 49 390 HIS 50 391 ILE 51 392 GLY 52 393 GLU 53 394 CYS 54 395 LEU 55 396 PRO 56 397 GLU 57 398 GLY 58 399 THR 59 400 GLY 60 401 ALA 61 402 SER 62 403 ALA 63 404 THR 64 405 ASN 65 406 SER 66 407 CYS 67 408 GLU 68 409 TYR 69 410 THR 70 411 VAL 71 412 ASP 72 413 PRO 73 414 ASN 74 415 ARG 75 416 ALA 76 417 ALA 77 418 GLU 78 419 ALA 79 420 ARG 80 421 TRP 81 422 ASP 82 423 GLU 83 424 ALA 84 425 SER 85 426 ASN 86 427 VAL 87 428 THR 88 429 ILE 89 430 LYS 90 431 VAL 91 432 SER 92 433 THR 93 434 LYS 94 435 PRO 95 436 CYS 96 437 PRO 97 438 LYS 98 439 CYS 99 440 ARG 100 441 THR 101 442 PRO 102 443 THR 103 444 GLU 104 445 ARG 105 446 ASP 106 447 GLY 107 448 GLY 108 449 CYS 109 450 MET 110 451 HIS 111 452 MET 112 453 VAL 113 454 CYS 114 455 THR 115 456 ARG 116 457 ALA 117 458 GLY 118 459 CYS 119 460 GLY 120 461 PHE 121 462 GLU 122 463 TRP 123 464 CYS 124 465 TRP 125 466 VAL 126 467 CYS 127 468 GLN 128 469 THR 129 470 GLU 130 471 TRP 131 472 THR 132 473 ARG 133 474 ASP 134 475 CYS 135 476 MET 136 477 GLY 137 478 ALA 138 479 HIS 139 480 TRP 140 481 PHE 141 482 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2M48 "Solution Structure Of Ibr-ring2 Tandem Domain From Parkin" 100.00 141 100.00 100.00 7.27e-98 GB AAL13983 "SD01679p [Drosophila melanogaster]" 100.00 482 100.00 100.00 1.28e-97 GB AAM18800 "PARKIN [Drosophila melanogaster]" 100.00 482 100.00 100.00 1.31e-97 GB AAM43930 "PARKIN [Drosophila melanogaster]" 100.00 482 100.00 100.00 1.31e-97 GB AAN12154 "parkin, isoform B [Drosophila melanogaster]" 100.00 482 100.00 100.00 1.31e-97 GB AAN12155 "parkin, isoform C [Drosophila melanogaster]" 100.00 482 100.00 100.00 1.31e-97 REF NP_730600 "parkin, isoform B [Drosophila melanogaster]" 100.00 482 100.00 100.00 1.31e-97 REF NP_730601 "parkin, isoform C [Drosophila melanogaster]" 100.00 482 100.00 100.00 1.31e-97 REF XP_001973584 "GG13257 [Drosophila erecta]" 100.00 468 98.58 99.29 3.09e-96 REF XP_002040765 "GM22162 [Drosophila sechellia]" 100.00 468 100.00 100.00 1.42e-97 REF XP_002085754 "GD12138 [Drosophila simulans]" 100.00 482 100.00 100.00 1.31e-97 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? 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 _Gene_mnemonic $entity_1 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster park 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 _Details $entity_1 'recombinant technology' . Escherichia coli . pGEX-6P2 'modified to have TEV site' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Added Roche EDTA-free protease inhibitor cocktail (~10 uM) to limit proteolysis during data collection' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' $entity_1 500 uM '[U-98% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Added Roche EDTA-free protease inhibitor cocktail (~10 uM) to limit proteolysis during data collection' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' $entity_1 500 uM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Added Roche EDTA-free protease inhibitor cocktail (~10 uM) to limit proteolysis during data collection' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' $entity_1 500 uM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 'Varian VnmrJ 2.2D' loop_ _Vendor _Address _Electronic_address Varian . http://www.home.agilent.com stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2011.084.20.33 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 'Ver 5.7 Rev 2011.084.20.33' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version '8.2.33 with Java 1.6.0_31' loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . http://www.onemoonscientific.com stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . http://www.cyana.org stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.33 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . http://nmr.cit.nih.gov/xplor-nih stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version TALOSPlus loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . http://spin.niddk.nih.gov/NMRPipe stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version 3.5.4 loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . http://www.ebi.ac.uk/thornton-srv/software/PROCHECK stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details '13C-enhanced triple resonance cold probe with z-gradients' 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCD)HD_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_3 save_ save_2D_(HB)CB(CGCDCE)HE_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_3 save_ save_3D_HNHB_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_13C_TOCSY_aromatic_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C TOCSY aromatic' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCA' '3D HCACO' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNHA' '3D C(CO)NH' '3D 1H-13C NOESY aliphatic' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' '3D HNHB' '2D 1H-13C HSQC aromatic' '3D 13C TOCSY aromatic' 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 entity_1 _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 1 342 1 GLU C C 176.5760 0.0000 1 2 342 1 GLU CA C 57.4880 0.0000 1 3 342 1 GLU CB C 29.4040 0.0000 1 4 342 1 GLU N N 122.8480 0.0000 1 5 343 2 GLU H H 8.2930 0.0000 1 6 343 2 GLU HA H 4.1650 0.0000 1 7 343 2 GLU C C 176.5290 0.0000 1 8 343 2 GLU CA C 57.1620 0.0000 1 9 343 2 GLU CB C 30.2040 0.0000 1 10 343 2 GLU N N 121.0450 0.0000 1 11 344 3 TYR H H 8.0400 0.0000 1 12 344 3 TYR HA H 4.5380 0.0000 1 13 344 3 TYR HB2 H 3.0560 0.0000 2 14 344 3 TYR HB3 H 2.9710 0.0000 2 15 344 3 TYR HD2 H 7.1800 0.0000 3 16 344 3 TYR HE2 H 6.8840 0.0000 3 17 344 3 TYR C C 175.8970 0.0000 1 18 344 3 TYR CA C 58.1790 0.0000 1 19 344 3 TYR CB C 38.6000 0.0000 1 20 344 3 TYR CD2 C 133.4510 0.0000 1 21 344 3 TYR CE2 C 118.5260 0.0000 1 22 344 3 TYR N N 121.0000 0.0000 1 23 345 4 VAL H H 7.8560 0.0000 1 24 345 4 VAL HA H 3.9390 0.0000 1 25 345 4 VAL HB H 2.0000 0.0000 1 26 345 4 VAL HG1 H 0.8560 0.0000 2 27 345 4 VAL HG2 H 0.9030 0.0000 2 28 345 4 VAL C C 176.1430 0.0000 1 29 345 4 VAL CA C 62.8670 0.0000 1 30 345 4 VAL CB C 32.7990 0.0000 1 31 345 4 VAL CG1 C 21.1030 0.0000 2 32 345 4 VAL CG2 C 20.8680 0.0000 2 33 345 4 VAL N N 121.9000 0.0000 1 34 346 5 LEU H H 8.1270 0.0000 1 35 346 5 LEU HA H 4.2430 0.0000 1 36 346 5 LEU HB2 H 1.6540 0.0000 2 37 346 5 LEU HB3 H 1.5850 0.0000 2 38 346 5 LEU HG H 1.6090 0.0000 1 39 346 5 LEU HD1 H 0.9160 0.0000 2 40 346 5 LEU HD2 H 0.8590 0.0000 2 41 346 5 LEU C C 177.7470 0.0000 1 42 346 5 LEU CA C 55.5000 0.0000 1 43 346 5 LEU CB C 42.2520 0.0000 1 44 346 5 LEU CG C 27.0140 0.0000 1 45 346 5 LEU CD1 C 24.8000 0.0000 2 46 346 5 LEU CD2 C 23.7180 0.0000 2 47 346 5 LEU N N 124.9500 0.0000 1 48 347 6 GLN H H 8.2700 0.0000 1 49 347 6 GLN HA H 4.2860 0.0000 1 50 347 6 GLN HB2 H 2.1270 0.0000 2 51 347 6 GLN HB3 H 1.9930 0.0000 2 52 347 6 GLN HG2 H 2.3790 0.0000 2 53 347 6 GLN HE21 H 7.5110 0.0000 2 54 347 6 GLN HE22 H 6.8470 0.0000 2 55 347 6 GLN C C 175.8330 0.0000 1 56 347 6 GLN CA C 55.9880 0.0000 1 57 347 6 GLN CB C 29.3750 0.0000 1 58 347 6 GLN CG C 33.7600 0.0000 1 59 347 6 GLN N N 121.4520 0.0000 1 60 347 6 GLN NE2 N 112.2960 0.0000 1 61 348 7 ALA H H 8.2270 0.0000 1 62 348 7 ALA HA H 4.3210 0.0000 1 63 348 7 ALA HB H 1.3950 0.0000 1 64 348 7 ALA C C 177.9290 0.0000 1 65 348 7 ALA CA C 52.7030 0.0000 1 66 348 7 ALA CB C 19.0020 0.0000 1 67 348 7 ALA N N 124.4660 0.0000 1 68 349 8 GLY H H 8.2980 0.0000 1 69 349 8 GLY HA2 H 4.0000 0.0000 2 70 349 8 GLY C C 174.2690 0.0000 1 71 349 8 GLY CA C 45.2270 0.0000 1 72 349 8 GLY N N 108.1930 0.0000 1 73 350 9 GLY H H 8.1560 0.0000 1 74 350 9 GLY HA2 H 4.4290 0.0000 2 75 350 9 GLY HA3 H 3.8670 0.0000 2 76 350 9 GLY C C 172.9790 0.0000 1 77 350 9 GLY CA C 44.9350 0.0000 1 78 350 9 GLY N N 108.0730 0.0000 1 79 351 10 VAL H H 8.5410 0.0000 1 80 351 10 VAL HA H 4.4160 0.0000 1 81 351 10 VAL HB H 2.0660 0.0000 1 82 351 10 VAL HG1 H 1.0050 0.0000 2 83 351 10 VAL C C 173.4120 0.0000 1 84 351 10 VAL CA C 60.6630 0.0000 1 85 351 10 VAL CB C 34.8660 0.0000 1 86 351 10 VAL CG1 C 21.2870 0.0000 2 87 351 10 VAL N N 119.0580 0.0000 1 88 352 11 LEU H H 8.1510 0.0000 1 89 352 11 LEU HA H 4.7650 0.0000 1 90 352 11 LEU HB2 H 1.4970 0.0000 2 91 352 11 LEU HB3 H 1.1980 0.0000 2 92 352 11 LEU HG H 0.8150 0.0000 1 93 352 11 LEU HD1 H 0.7450 0.0000 2 94 352 11 LEU C C 176.2180 0.0000 1 95 352 11 LEU CA C 53.3410 0.0000 1 96 352 11 LEU CB C 42.7060 0.0000 1 97 352 11 LEU CG C 25.0200 0.0000 1 98 352 11 LEU CD1 C 23.2630 0.0000 2 99 352 11 LEU N N 125.8000 0.0000 1 100 353 12 CYS H H 8.7940 0.0000 1 101 353 12 CYS HA H 4.1070 0.0000 1 102 353 12 CYS HB2 H 3.2590 0.0000 2 103 353 12 CYS HB3 H 2.8890 0.0000 2 104 353 12 CYS C C 176.6550 0.0000 1 105 353 12 CYS CA C 57.7310 0.0000 1 106 353 12 CYS CB C 31.8650 0.0000 1 107 353 12 CYS N N 126.8250 0.0000 1 108 354 13 PRO HA H 4.4200 0.0000 1 109 354 13 PRO HB2 H 2.0330 0.0000 2 110 354 13 PRO HG2 H 1.4660 0.0000 2 111 354 13 PRO HD2 H 3.2430 0.0000 2 112 354 13 PRO HD3 H 2.8600 0.0000 2 113 354 13 PRO C C 177.5120 0.0000 1 114 354 13 PRO CA C 62.9920 0.0000 1 115 354 13 PRO CB C 32.5670 0.0000 1 116 354 13 PRO CG C 27.0150 0.0000 1 117 354 13 PRO CD C 50.3800 0.0000 1 118 355 14 GLN H H 9.0330 0.0000 1 119 355 14 GLN HA H 4.2750 0.0000 1 120 355 14 GLN HB2 H 2.1210 0.0000 2 121 355 14 GLN C C 175.5160 0.0000 1 122 355 14 GLN CA C 54.7930 0.0000 1 123 355 14 GLN CB C 28.5470 0.0000 1 124 355 14 GLN N N 126.8000 0.0000 1 125 356 15 PRO HD2 H 3.9120 0.0000 2 126 356 15 PRO HD3 H 3.5460 0.0000 2 127 356 15 PRO CD C 51.0000 0.0000 1 128 357 16 GLY HA2 H 4.0390 0.0000 2 129 357 16 GLY HA3 H 3.7460 0.0000 2 130 357 16 GLY C C 173.2290 0.0000 1 131 357 16 GLY CA C 45.2540 0.0000 1 132 358 17 CYS H H 7.7200 0.0000 1 133 358 17 CYS HA H 4.5330 0.0000 1 134 358 17 CYS HB2 H 3.0040 0.0000 2 135 358 17 CYS HB3 H 2.5340 0.0000 2 136 358 17 CYS C C 176.1570 0.0000 1 137 358 17 CYS CA C 60.2680 0.0000 1 138 358 17 CYS CB C 29.3750 0.0000 1 139 358 17 CYS N N 123.5000 0.0000 1 140 359 18 GLY H H 7.7560 0.0000 1 141 359 18 GLY HA2 H 4.1390 0.0000 2 142 359 18 GLY HA3 H 3.9270 0.0000 2 143 359 18 GLY C C 174.0800 0.0000 1 144 359 18 GLY CA C 46.0640 0.0000 1 145 359 18 GLY N N 104.4000 0.0000 1 146 360 19 MET H H 8.2290 0.0000 1 147 360 19 MET HA H 4.3430 0.0000 1 148 360 19 MET HB2 H 2.6540 0.0000 2 149 360 19 MET HB3 H 2.5250 0.0000 2 150 360 19 MET HG2 H 2.5790 0.0000 2 151 360 19 MET HE H 2.0620 0.0000 1 152 360 19 MET C C 175.6410 0.0000 1 153 360 19 MET CA C 55.9230 0.0000 1 154 360 19 MET CB C 33.0910 0.0000 1 155 360 19 MET CG C 19.0560 0.0000 1 156 360 19 MET CE C 17.1020 0.0000 1 157 360 19 MET N N 121.3000 0.0000 1 158 361 20 GLY H H 8.3470 0.0000 1 159 361 20 GLY HA2 H 4.4170 0.0000 2 160 361 20 GLY HA3 H 3.4950 0.0000 2 161 361 20 GLY C C 173.7740 0.0000 1 162 361 20 GLY CA C 45.8380 0.0000 1 163 361 20 GLY N N 109.0000 0.0000 1 164 362 21 LEU H H 8.9350 0.0000 1 165 362 21 LEU HA H 4.6750 0.0000 1 166 362 21 LEU HB2 H 1.7120 0.0000 2 167 362 21 LEU HB3 H 1.3190 0.0000 2 168 362 21 LEU HG H 0.9790 0.0000 1 169 362 21 LEU HD1 H 1.1010 0.0000 2 170 362 21 LEU C C 175.8650 0.0000 1 171 362 21 LEU CA C 54.1900 0.0000 1 172 362 21 LEU CB C 44.0500 0.0000 1 173 362 21 LEU CG C 26.0800 0.0000 1 174 362 21 LEU CD1 C 23.7300 0.0000 2 175 362 21 LEU N N 126.7250 0.0000 1 176 363 22 LEU H H 8.4810 0.0000 1 177 363 22 LEU HA H 4.6770 0.0000 1 178 363 22 LEU HB2 H 1.6020 0.0000 2 179 363 22 LEU HD1 H 0.9100 0.0000 2 180 363 22 LEU HD2 H 0.8460 0.0000 2 181 363 22 LEU C C 176.1620 0.0000 1 182 363 22 LEU CA C 54.3420 0.0000 1 183 363 22 LEU CB C 42.2100 0.0000 1 184 363 22 LEU CD1 C 24.6370 0.0000 2 185 363 22 LEU CD2 C 24.0150 0.0000 2 186 363 22 LEU N N 123.7420 0.0000 1 187 364 23 VAL H H 8.1550 0.0000 1 188 364 23 VAL HA H 4.3970 0.0000 1 189 364 23 VAL HB H 2.0430 0.0000 1 190 364 23 VAL HG1 H 0.8910 0.0000 2 191 364 23 VAL HG2 H 0.8300 0.0000 2 192 364 23 VAL C C 175.5920 0.0000 1 193 364 23 VAL CA C 60.4600 0.0000 1 194 364 23 VAL CB C 34.1250 0.0000 1 195 364 23 VAL CG1 C 21.9950 0.0000 2 196 364 23 VAL CG2 C 20.4430 0.0000 2 197 364 23 VAL N N 120.9800 0.0000 1 198 365 24 GLU H H 8.9000 0.0000 1 199 365 24 GLU HA H 4.6100 0.0000 1 200 365 24 GLU HB2 H 2.1340 0.0000 2 201 365 24 GLU HB3 H 1.9300 0.0000 2 202 365 24 GLU HG2 H 2.3280 0.0000 2 203 365 24 GLU HG3 H 2.2970 0.0000 2 204 365 24 GLU C C 175.4270 0.0000 1 205 365 24 GLU CA C 54.5510 0.0000 1 206 365 24 GLU CB C 29.7800 0.0000 1 207 365 24 GLU CG C 36.3210 0.0000 1 208 365 24 GLU N N 126.9500 0.0000 1 209 366 25 PRO HA H 4.2620 0.0000 1 210 366 25 PRO HB2 H 2.2720 0.0000 2 211 366 25 PRO HB3 H 1.9190 0.0000 2 212 366 25 PRO HG2 H 2.0710 0.0000 2 213 366 25 PRO HG3 H 1.9530 0.0000 2 214 366 25 PRO HD2 H 3.8160 0.0000 2 215 366 25 PRO C C 177.0130 0.0000 1 216 366 25 PRO CA C 64.4630 0.0000 1 217 366 25 PRO CB C 32.0480 0.0000 1 218 366 25 PRO CG C 27.6000 0.0000 1 219 366 25 PRO CD C 50.7000 0.0000 1 220 367 26 ASP H H 8.4390 0.0000 1 221 367 26 ASP HA H 4.4950 0.0000 1 222 367 26 ASP HB2 H 2.7590 0.0000 2 223 367 26 ASP C C 175.1230 0.0000 1 224 367 26 ASP CA C 54.5030 0.0000 1 225 367 26 ASP CB C 40.1230 0.0000 1 226 367 26 ASP N N 115.4590 0.0000 1 227 368 27 CYS H H 7.5150 0.0000 1 228 368 27 CYS HA H 4.5700 0.0000 1 229 368 27 CYS HB2 H 2.8880 0.0000 2 230 368 27 CYS HB3 H 2.8060 0.0000 2 231 368 27 CYS C C 173.8060 0.0000 1 232 368 27 CYS CA C 58.5810 0.0000 1 233 368 27 CYS CB C 28.4500 0.0000 1 234 368 27 CYS N N 118.7000 0.0000 1 235 369 28 ARG HA H 4.2650 0.0000 1 236 369 28 ARG HB2 H 2.1350 0.0000 2 237 369 28 ARG HB3 H 1.8790 0.0000 2 238 369 28 ARG HG2 H 1.6760 0.0000 2 239 369 28 ARG HD2 H 3.4910 0.0000 2 240 369 28 ARG HD3 H 3.1700 0.0000 2 241 369 28 ARG C C 174.9080 0.0000 1 242 369 28 ARG CA C 57.6690 0.0000 1 243 369 28 ARG CB C 32.2740 0.0000 1 244 369 28 ARG CG C 29.0000 0.0000 1 245 369 28 ARG CD C 43.8240 0.0000 1 246 370 29 LYS H H 7.7400 0.0000 1 247 370 29 LYS HA H 4.1700 0.0000 1 248 370 29 LYS HB2 H 1.4300 0.0000 2 249 370 29 LYS HG2 H 0.5370 0.0000 2 250 370 29 LYS HD2 H 0.9790 0.0000 2 251 370 29 LYS HE2 H 2.2040 0.0000 2 252 370 29 LYS C C 174.8680 0.0000 1 253 370 29 LYS CA C 56.5540 0.0000 1 254 370 29 LYS CB C 33.1400 0.0000 1 255 370 29 LYS CG C 23.8750 0.0000 1 256 370 29 LYS CD C 29.0050 0.0000 1 257 370 29 LYS CE C 41.1150 0.0000 1 258 370 29 LYS N N 121.0220 0.0000 1 259 371 30 VAL H H 8.6470 0.0000 1 260 371 30 VAL HA H 4.1330 0.0000 1 261 371 30 VAL HB H 0.9400 0.0000 1 262 371 30 VAL HG1 H 0.6210 0.0000 2 263 371 30 VAL HG2 H 0.5780 0.0000 2 264 371 30 VAL C C 173.4020 0.0000 1 265 371 30 VAL CA C 60.7770 0.0000 1 266 371 30 VAL CB C 33.0000 0.0000 1 267 371 30 VAL CG1 C 24.3380 0.0000 2 268 371 30 VAL CG2 C 21.3380 0.0000 2 269 371 30 VAL N N 128.3620 0.0000 1 270 372 31 THR H H 8.0870 0.0000 1 271 372 31 THR HA H 5.0320 0.0000 1 272 372 31 THR HB H 3.7890 0.0000 1 273 372 31 THR HG2 H 0.9220 0.0000 1 274 372 31 THR C C 174.3390 0.0000 1 275 372 31 THR CA C 60.8810 0.0000 1 276 372 31 THR CB C 70.4710 0.0000 1 277 372 31 THR CG2 C 20.7510 0.0000 1 278 372 31 THR N N 119.6670 0.0000 1 279 373 32 CYS H H 9.3220 0.0000 1 280 373 32 CYS HA H 4.8020 0.0000 1 281 373 32 CYS HB2 H 3.4640 0.0000 2 282 373 32 CYS HB3 H 3.0420 0.0000 2 283 373 32 CYS C C 176.7910 0.0000 1 284 373 32 CYS CA C 58.5040 0.0000 1 285 373 32 CYS CB C 28.3110 0.0000 1 286 373 32 CYS N N 132.5540 0.0000 1 287 374 33 GLN H H 7.8560 0.0000 1 288 374 33 GLN HA H 4.0000 0.0000 1 289 374 33 GLN HB2 H 1.9720 0.0000 2 290 374 33 GLN HG2 H 2.3260 0.0000 2 291 374 33 GLN HE21 H 7.5330 0.0000 2 292 374 33 GLN HE22 H 6.8650 0.0000 2 293 374 33 GLN C C 176.8270 0.0000 1 294 374 33 GLN CA C 58.3000 0.0000 1 295 374 33 GLN CB C 29.6640 0.0000 1 296 374 33 GLN CG C 33.3090 0.0000 1 297 374 33 GLN N N 125.8900 0.0000 1 298 374 33 GLN NE2 N 111.9370 0.0000 1 299 375 34 ASN H H 8.9130 0.0000 1 300 375 34 ASN HA H 4.8870 0.0000 1 301 375 34 ASN HB2 H 3.0100 0.0000 2 302 375 34 ASN HB3 H 2.7370 0.0000 2 303 375 34 ASN HD21 H 7.6840 0.0000 2 304 375 34 ASN HD22 H 6.9790 0.0000 2 305 375 34 ASN C C 174.0490 0.0000 1 306 375 34 ASN CA C 53.0470 0.0000 1 307 375 34 ASN CB C 38.9160 0.0000 1 308 375 34 ASN N N 115.3420 0.0000 1 309 375 34 ASN ND2 N 113.3250 0.0000 1 310 376 35 GLY H H 7.1620 0.0000 1 311 376 35 GLY HA2 H 4.3340 0.0000 2 312 376 35 GLY HA3 H 3.9760 0.0000 2 313 376 35 GLY C C 174.1100 0.0000 1 314 376 35 GLY CA C 46.3860 0.0000 1 315 376 35 GLY N N 109.0980 0.0000 1 316 377 36 CYS H H 9.8000 0.0000 1 317 377 36 CYS HA H 4.7640 0.0000 1 318 377 36 CYS HB2 H 3.1800 0.0000 2 319 377 36 CYS HB3 H 2.8800 0.0000 2 320 377 36 CYS C C 177.3550 0.0000 1 321 377 36 CYS CA C 59.9880 0.0000 1 322 377 36 CYS CB C 32.3650 0.0000 1 323 377 36 CYS N N 132.5460 0.0000 1 324 378 37 GLY H H 8.8200 0.0000 1 325 378 37 GLY HA2 H 4.2010 0.0000 2 326 378 37 GLY HA3 H 3.5720 0.0000 2 327 378 37 GLY C C 173.4040 0.0000 1 328 378 37 GLY CA C 45.8630 0.0000 1 329 378 37 GLY N N 113.8510 0.0000 1 330 379 38 TYR H H 9.0540 0.0000 1 331 379 38 TYR HA H 4.4780 0.0000 1 332 379 38 TYR HB2 H 3.5980 0.0000 2 333 379 38 TYR HB3 H 2.7490 0.0000 2 334 379 38 TYR HD1 H 7.0380 0.0000 3 335 379 38 TYR HE1 H 6.6480 0.0000 3 336 379 38 TYR C C 173.6610 0.0000 1 337 379 38 TYR CA C 59.1800 0.0000 1 338 379 38 TYR CB C 40.1080 0.0000 1 339 379 38 TYR CD1 C 132.8260 0.0000 1 340 379 38 TYR CE1 C 117.9960 0.0000 1 341 379 38 TYR N N 125.5320 0.0000 1 342 380 39 VAL H H 7.2380 0.0000 1 343 380 39 VAL HA H 4.8180 0.0000 1 344 380 39 VAL HB H 1.7460 0.0000 1 345 380 39 VAL HG1 H 0.9050 0.0000 2 346 380 39 VAL HG2 H 0.9110 0.0000 2 347 380 39 VAL C C 175.8760 0.0000 1 348 380 39 VAL CA C 60.7970 0.0000 1 349 380 39 VAL CB C 32.6100 0.0000 1 350 380 39 VAL CG1 C 21.0700 0.0000 2 351 380 39 VAL CG2 C 21.0700 0.0000 2 352 380 39 VAL N N 124.4610 0.0000 1 353 381 40 PHE H H 9.4240 0.0000 1 354 381 40 PHE HA H 5.2730 0.0000 1 355 381 40 PHE HB2 H 2.7640 0.0000 2 356 381 40 PHE HB3 H 2.4960 0.0000 2 357 381 40 PHE HD2 H 6.9040 0.0000 3 358 381 40 PHE HE2 H 7.1060 0.0000 3 359 381 40 PHE HZ H 6.7440 0.0000 1 360 381 40 PHE C C 173.2420 0.0000 1 361 381 40 PHE CA C 55.2100 0.0000 1 362 381 40 PHE CB C 42.0900 0.0000 1 363 381 40 PHE CD2 C 133.1570 0.0000 1 364 381 40 PHE CE2 C 130.6100 0.0000 1 365 381 40 PHE CZ C 118.1230 0.0000 1 366 381 40 PHE N N 124.5880 0.0000 1 367 382 41 CYS H H 8.6730 0.0000 1 368 382 41 CYS HA H 4.9020 0.0000 1 369 382 41 CYS HB2 H 3.6530 0.0000 2 370 382 41 CYS HB3 H 2.5360 0.0000 2 371 382 41 CYS C C 177.1650 0.0000 1 372 382 41 CYS CA C 57.6910 0.0000 1 373 382 41 CYS CB C 32.4750 0.0000 1 374 382 41 CYS N N 120.2210 0.0000 1 375 383 42 ARG H H 9.5340 0.0000 1 376 383 42 ARG HA H 4.0210 0.0000 1 377 383 42 ARG HB2 H 1.9880 0.0000 2 378 383 42 ARG HB3 H 1.6870 0.0000 2 379 383 42 ARG HG2 H 1.8450 0.0000 2 380 383 42 ARG HG3 H 1.5910 0.0000 2 381 383 42 ARG HD2 H 3.1310 0.0000 2 382 383 42 ARG C C 175.0120 0.0000 1 383 383 42 ARG CA C 58.6860 0.0000 1 384 383 42 ARG CB C 30.9000 0.0000 1 385 383 42 ARG CG C 26.8090 0.0000 1 386 383 42 ARG CD C 43.7730 0.0000 1 387 383 42 ARG N N 129.3470 0.0000 1 388 384 43 ASN H H 8.8400 0.0000 1 389 384 43 ASN HA H 4.7080 0.0000 1 390 384 43 ASN HB2 H 2.9690 0.0000 2 391 384 43 ASN HB3 H 2.7560 0.0000 2 392 384 43 ASN HD21 H 7.8190 0.0000 2 393 384 43 ASN HD22 H 7.0270 0.0000 2 394 384 43 ASN C C 175.6560 0.0000 1 395 384 43 ASN CA C 55.7780 0.0000 1 396 384 43 ASN CB C 39.4750 0.0000 1 397 384 43 ASN N N 117.7720 0.0000 1 398 384 43 ASN ND2 N 113.6410 0.0000 1 399 385 44 CYS H H 7.8680 0.0000 1 400 385 44 CYS HA H 5.0280 0.0000 1 401 385 44 CYS HB2 H 3.4130 0.0000 2 402 385 44 CYS HB3 H 3.0590 0.0000 2 403 385 44 CYS C C 175.7030 0.0000 1 404 385 44 CYS CA C 58.1120 0.0000 1 405 385 44 CYS CB C 32.3590 0.0000 1 406 385 44 CYS N N 115.8760 0.0000 1 407 386 45 LEU H H 8.5140 0.0000 1 408 386 45 LEU HA H 4.3130 0.0000 1 409 386 45 LEU HB2 H 2.1310 0.0000 2 410 386 45 LEU HB3 H 1.6490 0.0000 2 411 386 45 LEU HG H 0.9430 0.0000 1 412 386 45 LEU HD1 H 0.9060 0.0000 2 413 386 45 LEU C C 175.7220 0.0000 1 414 386 45 LEU CA C 57.0090 0.0000 1 415 386 45 LEU CB C 38.4120 0.0000 1 416 386 45 LEU CG C 25.3780 0.0000 1 417 386 45 LEU CD1 C 22.8620 0.0000 2 418 386 45 LEU N N 120.0820 0.0000 1 419 387 46 GLN H H 8.2480 0.0000 1 420 387 46 GLN HA H 4.7760 0.0000 1 421 387 46 GLN HB2 H 2.4320 0.0000 2 422 387 46 GLN HB3 H 2.4320 0.0000 2 423 387 46 GLN HG2 H 2.5210 0.0000 2 424 387 46 GLN HG3 H 2.5210 0.0000 2 425 387 46 GLN C C 175.2990 0.0000 1 426 387 46 GLN CA C 54.0170 0.0000 1 427 387 46 GLN CB C 30.3070 0.0000 1 428 387 46 GLN CG C 34.3230 0.0000 1 429 387 46 GLN N N 117.5790 0.0000 1 430 388 47 GLY H H 8.6950 0.0000 1 431 388 47 GLY HA2 H 4.0140 0.0000 2 432 388 47 GLY HA3 H 3.8550 0.0000 2 433 388 47 GLY C C 173.6930 0.0000 1 434 388 47 GLY CA C 46.1800 0.0000 1 435 388 47 GLY N N 106.1070 0.0000 1 436 389 48 TYR H H 7.9230 0.0000 1 437 389 48 TYR HA H 3.6580 0.0000 1 438 389 48 TYR HB2 H 2.5580 0.0000 2 439 389 48 TYR HB3 H 2.4650 0.0000 2 440 389 48 TYR HD1 H 6.7800 0.0000 3 441 389 48 TYR HE1 H 6.5220 0.0000 3 442 389 48 TYR C C 172.8600 0.0000 1 443 389 48 TYR CA C 62.9870 0.0000 1 444 389 48 TYR CB C 38.0520 0.0000 1 445 389 48 TYR CD1 C 132.0220 0.0000 1 446 389 48 TYR CE1 C 118.7540 0.0000 1 447 389 48 TYR N N 122.5140 0.0000 1 448 390 49 HIS H H 5.2910 0.0000 1 449 390 49 HIS HA H 4.7080 0.0000 1 450 390 49 HIS HB2 H 3.1090 0.0000 2 451 390 49 HIS HB3 H 2.9850 0.0000 2 452 390 49 HIS HD2 H 6.8160 0.0000 1 453 390 49 HIS C C 173.2350 0.0000 1 454 390 49 HIS CA C 51.4310 0.0000 1 455 390 49 HIS CB C 31.9000 0.0000 1 456 390 49 HIS CD2 C 127.1510 0.0000 1 457 390 49 HIS N N 120.0800 0.0000 1 458 391 50 ILE H H 8.4180 0.0000 1 459 391 50 ILE HA H 4.1160 0.0000 1 460 391 50 ILE HB H 1.9260 0.0000 1 461 391 50 ILE HG12 H 1.3550 0.0000 2 462 391 50 ILE HD1 H 0.9350 0.0000 1 463 391 50 ILE C C 178.2080 0.0000 1 464 391 50 ILE CA C 60.8770 0.0000 1 465 391 50 ILE CB C 39.0340 0.0000 1 466 391 50 ILE CG1 C 26.7490 0.0000 1 467 391 50 ILE CD1 C 18.0990 0.0000 1 468 391 50 ILE N N 117.8100 0.0000 1 469 392 51 GLY H H 8.6540 0.0000 1 470 392 51 GLY HA2 H 4.1070 0.0000 2 471 392 51 GLY HA3 H 3.9150 0.0000 2 472 392 51 GLY C C 173.5650 0.0000 1 473 392 51 GLY CA C 45.2580 0.0000 1 474 392 51 GLY N N 112.3870 0.0000 1 475 393 52 GLU H H 8.3910 0.0000 1 476 393 52 GLU HA H 4.2890 0.0000 1 477 393 52 GLU HB2 H 2.0660 0.0000 2 478 393 52 GLU HB3 H 1.8790 0.0000 2 479 393 52 GLU HG2 H 2.3550 0.0000 2 480 393 52 GLU C C 176.8990 0.0000 1 481 393 52 GLU CA C 56.4330 0.0000 1 482 393 52 GLU CB C 30.4700 0.0000 1 483 393 52 GLU CG C 36.3250 0.0000 1 484 393 52 GLU N N 119.0980 0.0000 1 485 394 53 CYS H H 8.4740 0.0000 1 486 394 53 CYS HA H 3.7660 0.0000 1 487 394 53 CYS HB2 H 2.8060 0.0000 2 488 394 53 CYS HB3 H 2.6770 0.0000 2 489 394 53 CYS C C 175.4610 0.0000 1 490 394 53 CYS CA C 59.8350 0.0000 1 491 394 53 CYS CB C 30.7610 0.0000 1 492 394 53 CYS N N 122.8450 0.0000 1 493 395 54 LEU H H 8.4180 0.0000 1 494 395 54 LEU HA H 4.5040 0.0000 1 495 395 54 LEU HB2 H 1.4870 0.0000 2 496 395 54 LEU HB3 H 1.4300 0.0000 2 497 395 54 LEU HD1 H 0.8160 0.0000 2 498 395 54 LEU C C 175.2590 0.0000 1 499 395 54 LEU CA C 52.8350 0.0000 1 500 395 54 LEU CB C 41.4360 0.0000 1 501 395 54 LEU CD1 C 23.1690 0.0000 2 502 395 54 LEU N N 124.4030 0.0000 1 503 396 55 PRO HA H 4.3700 0.0000 1 504 396 55 PRO HB2 H 2.2630 0.0000 2 505 396 55 PRO HB3 H 1.8780 0.0000 2 506 396 55 PRO HG2 H 1.9870 0.0000 2 507 396 55 PRO HD2 H 3.7550 0.0000 2 508 396 55 PRO HD3 H 3.5770 0.0000 2 509 396 55 PRO C C 177.0060 0.0000 1 510 396 55 PRO CA C 63.0960 0.0000 1 511 396 55 PRO CB C 32.0720 0.0000 1 512 396 55 PRO CG C 27.4360 0.0000 1 513 396 55 PRO CD C 50.4000 0.0000 1 514 397 56 GLU H H 8.5680 0.0000 1 515 397 56 GLU HA H 4.2250 0.0000 1 516 397 56 GLU HB2 H 2.2640 0.0000 2 517 397 56 GLU HG2 H 2.4160 0.0000 2 518 397 56 GLU C C 177.2020 0.0000 1 519 397 56 GLU CA C 57.0340 0.0000 1 520 397 56 GLU CB C 30.2630 0.0000 1 521 397 56 GLU CG C 36.2190 0.0000 1 522 397 56 GLU N N 121.5740 0.0000 1 523 398 57 GLY H H 8.5150 0.0000 1 524 398 57 GLY HA2 H 4.0150 0.0000 2 525 398 57 GLY C C 174.5790 0.0000 1 526 398 57 GLY CA C 45.4620 0.0000 1 527 398 57 GLY N N 110.4950 0.0000 1 528 399 58 THR H H 8.0900 0.0000 1 529 399 58 THR HA H 4.3980 0.0000 1 530 399 58 THR C C 175.3330 0.0000 1 531 399 58 THR CA C 62.2330 0.0000 1 532 399 58 THR CB C 69.8330 0.0000 1 533 399 58 THR N N 113.2340 0.0000 1 534 400 59 GLY H H 8.5240 0.0000 1 535 400 59 GLY HA2 H 3.9860 0.0000 2 536 400 59 GLY C C 174.0480 0.0000 1 537 400 59 GLY CA C 45.4390 0.0000 1 538 400 59 GLY N N 111.4790 0.0000 1 539 401 60 ALA H H 8.1790 0.0000 1 540 401 60 ALA HA H 4.2510 0.0000 1 541 401 60 ALA HB H 1.2860 0.0000 1 542 401 60 ALA C C 177.9420 0.0000 1 543 401 60 ALA CA C 52.7300 0.0000 1 544 401 60 ALA CB C 19.1420 0.0000 1 545 401 60 ALA N N 123.9190 0.0000 1 546 402 61 SER H H 8.3050 0.0000 1 547 402 61 SER HA H 4.4480 0.0000 1 548 402 61 SER HB2 H 3.8890 0.0000 2 549 402 61 SER C C 174.4260 0.0000 1 550 402 61 SER CA C 58.2890 0.0000 1 551 402 61 SER CB C 63.7720 0.0000 1 552 402 61 SER N N 114.9040 0.0000 1 553 403 62 ALA H H 8.3450 0.0000 1 554 403 62 ALA HA H 4.3990 0.0000 1 555 403 62 ALA HB H 1.4190 0.0000 1 556 403 62 ALA C C 177.9840 0.0000 1 557 403 62 ALA CA C 52.6550 0.0000 1 558 403 62 ALA CB C 19.1380 0.0000 1 559 403 62 ALA N N 125.9650 0.0000 1 560 404 63 THR H H 8.1180 0.0000 1 561 404 63 THR HB H 4.7940 0.0000 1 562 404 63 THR HG2 H 1.2790 0.0000 1 563 404 63 THR C C 174.4200 0.0000 1 564 404 63 THR CA C 61.9880 0.0000 1 565 404 63 THR CB C 69.6880 0.0000 1 566 404 63 THR CG2 C 20.8510 0.0000 1 567 404 63 THR N N 112.7900 0.0000 1 568 405 64 ASN H H 8.3960 0.0000 1 569 405 64 ASN N N 121.0500 0.0000 1 570 407 66 CYS HA H 4.5780 0.0000 1 571 407 66 CYS HB2 H 2.8850 0.0000 2 572 407 66 CYS C C 174.4890 0.0000 1 573 407 66 CYS CA C 58.7130 0.0000 1 574 407 66 CYS CB C 28.1020 0.0000 1 575 408 67 GLU H H 8.4150 0.0000 1 576 408 67 GLU C C 175.9540 0.0000 1 577 408 67 GLU CA C 56.8020 0.0000 1 578 408 67 GLU CB C 30.3280 0.0000 1 579 408 67 GLU N N 123.0210 0.0000 1 580 409 68 TYR H H 8.1350 0.0000 1 581 409 68 TYR HA H 4.6540 0.0000 1 582 409 68 TYR HB2 H 3.0630 0.0000 2 583 409 68 TYR HB3 H 2.9530 0.0000 2 584 409 68 TYR HD1 H 7.1030 0.0000 3 585 409 68 TYR HE1 H 6.8120 0.0000 3 586 409 68 TYR C C 175.6130 0.0000 1 587 409 68 TYR CA C 57.6690 0.0000 1 588 409 68 TYR CB C 38.8250 0.0000 1 589 409 68 TYR CD1 C 133.1730 0.0000 1 590 409 68 TYR CE1 C 118.2050 0.0000 1 591 409 68 TYR N N 121.0150 0.0000 1 592 410 69 THR H H 8.0600 0.0000 1 593 410 69 THR HA H 4.3060 0.0000 1 594 410 69 THR HB H 4.1040 0.0000 1 595 410 69 THR HG2 H 1.1560 0.0000 1 596 410 69 THR C C 173.8460 0.0000 1 597 410 69 THR CA C 61.7300 0.0000 1 598 410 69 THR CB C 69.9140 0.0000 1 599 410 69 THR CG2 C 21.3350 0.0000 1 600 410 69 THR N N 116.9750 0.0000 1 601 411 70 VAL H H 8.0890 0.0000 1 602 411 70 VAL HA H 4.0530 0.0000 1 603 411 70 VAL HB H 2.0240 0.0000 1 604 411 70 VAL HG1 H 0.8910 0.0000 2 605 411 70 VAL C C 175.2750 0.0000 1 606 411 70 VAL CA C 61.8530 0.0000 1 607 411 70 VAL CB C 32.9760 0.0000 1 608 411 70 VAL CG1 C 20.6880 0.0000 2 609 411 70 VAL N N 122.9000 0.0000 1 610 412 71 ASP H H 8.3970 0.0000 1 611 412 71 ASP HA H 4.8500 0.0000 1 612 412 71 ASP HB2 H 2.7860 0.0000 2 613 412 71 ASP HB3 H 2.5890 0.0000 2 614 412 71 ASP CA C 51.5780 0.0000 1 615 412 71 ASP CB C 41.5380 0.0000 1 616 412 71 ASP N N 125.9240 0.0000 1 617 413 72 PRO HA H 4.3860 0.0000 1 618 413 72 PRO HB2 H 2.2790 0.0000 2 619 413 72 PRO HB3 H 1.9460 0.0000 2 620 413 72 PRO HG2 H 1.9990 0.0000 2 621 413 72 PRO HG3 H 1.9490 0.0000 2 622 413 72 PRO HD2 H 3.8800 0.0000 2 623 413 72 PRO C C 177.3520 0.0000 1 624 413 72 PRO CA C 63.9100 0.0000 1 625 413 72 PRO CB C 32.2680 0.0000 1 626 413 72 PRO CG C 26.9490 0.0000 1 627 413 72 PRO CD C 50.9600 0.0000 1 628 414 73 ASN H H 8.4960 0.0000 1 629 414 73 ASN HA H 4.6770 0.0000 1 630 414 73 ASN HB2 H 2.8540 0.0000 2 631 414 73 ASN HB3 H 2.7690 0.0000 2 632 414 73 ASN HD21 H 7.8300 0.0000 2 633 414 73 ASN HD22 H 6.9740 0.0000 2 634 414 73 ASN C C 175.5320 0.0000 1 635 414 73 ASN CA C 53.8240 0.0000 1 636 414 73 ASN CB C 38.7280 0.0000 1 637 414 73 ASN N N 117.0350 0.0000 1 638 414 73 ASN ND2 N 114.3090 0.0000 1 639 415 74 ARG H H 7.8040 0.0000 1 640 415 74 ARG HA H 4.2440 0.0000 1 641 415 74 ARG C C 176.2430 0.0000 1 642 415 74 ARG CA C 56.4040 0.0000 1 643 415 74 ARG CB C 30.6370 0.0000 1 644 415 74 ARG N N 121.0000 0.0000 1 645 416 75 ALA H H 8.1890 0.0000 1 646 416 75 ALA C C 177.8310 0.0000 1 647 416 75 ALA CA C 52.9570 0.0000 1 648 416 75 ALA CB C 19.0590 0.0000 1 649 416 75 ALA N N 124.8800 0.0000 1 650 417 76 ALA H H 8.1690 0.0000 1 651 417 76 ALA HA H 4.2470 0.0000 1 652 417 76 ALA HB H 1.3870 0.0000 1 653 417 76 ALA C C 178.0240 0.0000 1 654 417 76 ALA CA C 52.7890 0.0000 1 655 417 76 ALA CB C 19.0420 0.0000 1 656 417 76 ALA N N 122.6140 0.0000 1 657 418 77 GLU H H 8.1840 0.0000 1 658 418 77 GLU HA H 4.1890 0.0000 1 659 418 77 GLU HB2 H 2.0500 0.0000 2 660 418 77 GLU HB3 H 1.9230 0.0000 2 661 418 77 GLU HG2 H 2.2570 0.0000 2 662 418 77 GLU C C 176.2660 0.0000 1 663 418 77 GLU CA C 56.5760 0.0000 1 664 418 77 GLU CB C 30.3070 0.0000 1 665 418 77 GLU CG C 36.2320 0.0000 1 666 418 77 GLU N N 119.5000 0.0000 1 667 419 78 ALA H H 8.1350 0.0000 1 668 419 78 ALA HA H 4.2500 0.0000 1 669 419 78 ALA HB H 1.2940 0.0000 1 670 419 78 ALA C C 177.4880 0.0000 1 671 419 78 ALA CA C 52.5090 0.0000 1 672 419 78 ALA CB C 19.1610 0.0000 1 673 419 78 ALA N N 124.6430 0.0000 1 674 420 79 ARG H H 8.1350 0.0000 1 675 420 79 ARG HA H 4.2930 0.0000 1 676 420 79 ARG HB2 H 1.7450 0.0000 2 677 420 79 ARG HB3 H 1.6690 0.0000 2 678 420 79 ARG HG2 H 1.4870 0.0000 2 679 420 79 ARG HG3 H 1.5050 0.0000 2 680 420 79 ARG HD2 H 3.1120 0.0000 2 681 420 79 ARG C C 176.2970 0.0000 1 682 420 79 ARG CA C 55.9330 0.0000 1 683 420 79 ARG CB C 30.8500 0.0000 1 684 420 79 ARG CG C 26.9610 0.0000 1 685 420 79 ARG CD C 43.2880 0.0000 1 686 420 79 ARG N N 120.0030 0.0000 1 687 421 80 TRP H H 8.1590 0.0000 1 688 421 80 TRP HA H 4.6630 0.0000 1 689 421 80 TRP HB2 H 3.3130 0.0000 2 690 421 80 TRP HB3 H 3.2400 0.0000 2 691 421 80 TRP HD1 H 7.2640 0.0000 1 692 421 80 TRP HE1 H 10.1350 0.0000 1 693 421 80 TRP HE3 H 7.6320 0.0000 1 694 421 80 TRP HZ2 H 7.4920 0.0000 1 695 421 80 TRP HZ3 H 7.1590 0.0000 1 696 421 80 TRP HH2 H 7.2600 0.0000 1 697 421 80 TRP C C 175.8560 0.0000 1 698 421 80 TRP CA C 57.4040 0.0000 1 699 421 80 TRP CB C 29.4370 0.0000 1 700 421 80 TRP CD1 C 124.8070 0.0000 1 701 421 80 TRP CE3 C 120.8910 0.0000 1 702 421 80 TRP CZ2 C 114.5400 0.0000 1 703 421 80 TRP CZ3 C 122.0840 0.0000 1 704 421 80 TRP CH2 C 127.1300 0.0000 1 705 421 80 TRP N N 122.2800 0.0000 1 706 421 80 TRP NE1 N 129.4170 0.0000 1 707 422 81 ASP H H 8.1350 0.0000 1 708 422 81 ASP HA H 4.4950 0.0000 1 709 422 81 ASP HB2 H 2.5040 0.0000 2 710 422 81 ASP HB3 H 2.4310 0.0000 2 711 422 81 ASP C C 176.1840 0.0000 1 712 422 81 ASP CA C 53.8990 0.0000 1 713 422 81 ASP CB C 40.9480 0.0000 1 714 422 81 ASP N N 121.9800 0.0000 1 715 423 82 GLU H H 8.1530 0.0000 1 716 423 82 GLU HA H 4.0900 0.0000 1 717 423 82 GLU HB2 H 2.0420 0.0000 2 718 423 82 GLU HB3 H 1.9440 0.0000 2 719 423 82 GLU HG2 H 2.2530 0.0000 2 720 423 82 GLU C C 176.7200 0.0000 1 721 423 82 GLU CA C 57.1690 0.0000 1 722 423 82 GLU CB C 30.1560 0.0000 1 723 423 82 GLU CG C 36.2890 0.0000 1 724 423 82 GLU N N 121.9900 0.0000 1 725 424 83 ALA H H 8.2430 0.0000 1 726 424 83 ALA HA H 4.2800 0.0000 1 727 424 83 ALA HB H 1.3950 0.0000 1 728 424 83 ALA C C 178.0950 0.0000 1 729 424 83 ALA CA C 53.0170 0.0000 1 730 424 83 ALA CB C 19.0860 0.0000 1 731 424 83 ALA N N 123.9000 0.0000 1 732 425 84 SER H H 8.0630 0.0000 1 733 425 84 SER HA H 4.3870 0.0000 1 734 425 84 SER HB2 H 3.8500 0.0000 2 735 425 84 SER C C 174.3380 0.0000 1 736 425 84 SER CA C 58.5460 0.0000 1 737 425 84 SER CB C 63.7840 0.0000 1 738 425 84 SER N N 113.8810 0.0000 1 739 426 85 ASN H H 8.3910 0.0000 1 740 426 85 ASN HA H 4.7060 0.0000 1 741 426 85 ASN HB2 H 2.8420 0.0000 2 742 426 85 ASN HB3 H 2.7620 0.0000 2 743 426 85 ASN HD21 H 7.5820 0.0000 2 744 426 85 ASN HD22 H 6.8700 0.0000 2 745 426 85 ASN C C 175.0460 0.0000 1 746 426 85 ASN CA C 53.4450 0.0000 1 747 426 85 ASN CB C 38.8470 0.0000 1 748 426 85 ASN N N 121.0320 0.0000 1 749 426 85 ASN ND2 N 112.8690 0.0000 1 750 427 86 VAL H H 7.9540 0.0000 1 751 427 86 VAL HA H 4.1930 0.0000 1 752 427 86 VAL HB H 2.1140 0.0000 1 753 427 86 VAL HG1 H 0.9280 0.0000 2 754 427 86 VAL HG2 H 0.9320 0.0000 2 755 427 86 VAL C C 176.2130 0.0000 1 756 427 86 VAL CA C 62.4490 0.0000 1 757 427 86 VAL CB C 32.8650 0.0000 1 758 427 86 VAL CG1 C 20.6050 0.0000 2 759 427 86 VAL CG2 C 20.9200 0.0000 2 760 427 86 VAL N N 119.4630 0.0000 1 761 428 87 THR H H 8.2250 0.0000 1 762 428 87 THR HA H 4.3530 0.0000 1 763 428 87 THR HB H 4.2640 0.0000 1 764 428 87 THR HG2 H 1.1960 0.0000 1 765 428 87 THR C C 174.3610 0.0000 1 766 428 87 THR CA C 62.0650 0.0000 1 767 428 87 THR CB C 69.7290 0.0000 1 768 428 87 THR CG2 C 21.5370 0.0000 1 769 428 87 THR N N 118.2260 0.0000 1 770 429 88 ILE H H 8.1480 0.0000 1 771 429 88 ILE HA H 4.1880 0.0000 1 772 429 88 ILE HB H 1.8590 0.0000 1 773 429 88 ILE HG12 H 1.4730 0.0000 2 774 429 88 ILE HG13 H 1.1790 0.0000 2 775 429 88 ILE HG2 H 0.8960 0.0000 1 776 429 88 ILE HD1 H 0.8450 0.0000 1 777 429 88 ILE C C 175.7740 0.0000 1 778 429 88 ILE CA C 60.8190 0.0000 1 779 429 88 ILE CB C 38.7190 0.0000 1 780 429 88 ILE CG1 C 27.3510 0.0000 1 781 429 88 ILE CG2 C 17.4780 0.0000 1 782 429 88 ILE CD1 C 12.8120 0.0000 1 783 429 88 ILE N N 123.9100 0.0000 1 784 430 89 LYS H H 8.4060 0.0000 1 785 430 89 LYS HA H 4.4340 0.0000 1 786 430 89 LYS HB2 H 1.8340 0.0000 2 787 430 89 LYS HB3 H 1.7690 0.0000 2 788 430 89 LYS HG2 H 1.4480 0.0000 2 789 430 89 LYS HG3 H 1.3830 0.0000 2 790 430 89 LYS HD2 H 1.6750 0.0000 2 791 430 89 LYS HE2 H 2.9900 0.0000 2 792 430 89 LYS C C 176.2410 0.0000 1 793 430 89 LYS CA C 55.9370 0.0000 1 794 430 89 LYS CB C 33.1640 0.0000 1 795 430 89 LYS CG C 24.8130 0.0000 1 796 430 89 LYS CD C 29.0460 0.0000 1 797 430 89 LYS CE C 42.1770 0.0000 1 798 430 89 LYS N N 126.4530 0.0000 1 799 431 90 VAL H H 8.3120 0.0000 1 800 431 90 VAL HA H 4.2800 0.0000 1 801 431 90 VAL HB H 2.1660 0.0000 1 802 431 90 VAL HG1 H 1.0020 0.0000 2 803 431 90 VAL CA C 62.3030 0.0000 1 804 431 90 VAL CB C 33.1320 0.0000 1 805 431 90 VAL CG1 C 21.3700 0.0000 2 806 431 90 VAL N N 122.4960 0.0000 1 807 432 91 SER HA H 4.4860 0.0000 1 808 432 91 SER HB2 H 4.0780 0.0000 2 809 432 91 SER HB3 H 4.0010 0.0000 2 810 432 91 SER C C 173.8340 0.0000 1 811 432 91 SER CA C 58.6500 0.0000 1 812 432 91 SER CB C 64.1520 0.0000 1 813 433 92 THR H H 7.8330 0.0000 1 814 433 92 THR HA H 5.4460 0.0000 1 815 433 92 THR HB H 3.9620 0.0000 1 816 433 92 THR HG2 H 1.1330 0.0000 1 817 433 92 THR C C 173.9790 0.0000 1 818 433 92 THR CA C 60.4120 0.0000 1 819 433 92 THR CB C 71.8960 0.0000 1 820 433 92 THR CG2 C 21.6810 0.0000 1 821 433 92 THR N N 114.7060 0.0000 1 822 434 93 LYS H H 8.9370 0.0000 1 823 434 93 LYS HA H 4.7090 0.0000 1 824 434 93 LYS HB2 H 1.4590 0.0000 2 825 434 93 LYS HB3 H 1.3530 0.0000 2 826 434 93 LYS HG2 H 1.0890 0.0000 2 827 434 93 LYS HG3 H 0.7820 0.0000 2 828 434 93 LYS HD2 H 1.0050 0.0000 2 829 434 93 LYS HD3 H -0.0880 0.0000 2 830 434 93 LYS HE2 H 2.4040 0.0000 2 831 434 93 LYS HE3 H 1.9850 0.0000 2 832 434 93 LYS C C 173.5890 0.0000 1 833 434 93 LYS CA C 54.3750 0.0000 1 834 434 93 LYS CB C 36.9250 0.0000 1 835 434 93 LYS CG C 26.6100 0.0000 1 836 434 93 LYS CD C 29.5240 0.0000 1 837 434 93 LYS CE C 42.1400 0.0000 1 838 434 93 LYS N N 122.4920 0.0000 1 839 435 94 PRO HA H 4.2670 0.0000 1 840 435 94 PRO HB2 H 1.8260 0.0000 2 841 435 94 PRO HB3 H 1.3200 0.0000 2 842 435 94 PRO HG2 H 1.9370 0.0000 2 843 435 94 PRO HG3 H 1.8310 0.0000 2 844 435 94 PRO HD2 H 3.6990 0.0000 2 845 435 94 PRO HD3 H 3.4080 0.0000 2 846 435 94 PRO C C 175.2380 0.0000 1 847 435 94 PRO CA C 60.9230 0.0000 1 848 435 94 PRO CB C 31.0860 0.0000 1 849 435 94 PRO CG C 26.8910 0.0000 1 850 435 94 PRO CD C 50.0630 0.0000 1 851 436 95 CYS H H 7.7680 0.0000 1 852 436 95 CYS HA H 3.4300 0.0000 1 853 436 95 CYS HB2 H 3.0910 0.0000 2 854 436 95 CYS C C 176.7700 0.0000 1 855 436 95 CYS CA C 57.0160 0.0000 1 856 436 95 CYS CB C 31.6980 0.0000 1 857 436 95 CYS N N 125.4220 0.0000 1 858 437 96 PRO HA H 3.8580 0.0000 1 859 437 96 PRO HB2 H 2.2070 0.0000 2 860 437 96 PRO HB3 H 1.4950 0.0000 2 861 437 96 PRO HG2 H 1.4270 0.0000 2 862 437 96 PRO HG3 H 1.2910 0.0000 2 863 437 96 PRO HD2 H 2.0780 0.0000 2 864 437 96 PRO HD3 H 1.7300 0.0000 2 865 437 96 PRO C C 173.6080 0.0000 1 866 437 96 PRO CA C 64.2130 0.0000 1 867 437 96 PRO CB C 32.4490 0.0000 1 868 437 96 PRO CG C 27.2880 0.0000 1 869 437 96 PRO CD C 49.2170 0.0000 1 870 438 97 LYS H H 8.3900 0.0000 1 871 438 97 LYS HA H 3.9700 0.0000 1 872 438 97 LYS HB2 H 1.4310 0.0000 2 873 438 97 LYS HB3 H 0.3490 0.0000 2 874 438 97 LYS HG2 H 0.8470 0.0000 2 875 438 97 LYS HG3 H 0.7900 0.0000 2 876 438 97 LYS HD2 H 1.6340 0.0000 2 877 438 97 LYS HD3 H 1.3260 0.0000 2 878 438 97 LYS HE2 H 2.7790 0.0000 2 879 438 97 LYS C C 176.8870 0.0000 1 880 438 97 LYS CA C 57.6870 0.0000 1 881 438 97 LYS CB C 33.1240 0.0000 1 882 438 97 LYS CG C 24.9480 0.0000 1 883 438 97 LYS CD C 28.9690 0.0000 1 884 438 97 LYS CE C 42.1960 0.0000 1 885 438 97 LYS N N 118.6000 0.0000 1 886 439 98 CYS H H 8.3570 0.0000 1 887 439 98 CYS HA H 4.7460 0.0000 1 888 439 98 CYS HB2 H 3.1760 0.0000 2 889 439 98 CYS HB3 H 2.8930 0.0000 2 890 439 98 CYS C C 176.6500 0.0000 1 891 439 98 CYS CA C 59.3480 0.0000 1 892 439 98 CYS CB C 31.1960 0.0000 1 893 439 98 CYS N N 118.9500 0.0000 1 894 440 99 ARG H H 8.0650 0.0000 1 895 440 99 ARG HA H 3.9680 0.0000 1 896 440 99 ARG HB2 H 2.1600 0.0000 2 897 440 99 ARG HB3 H 1.9610 0.0000 2 898 440 99 ARG HG2 H 1.4670 0.0000 2 899 440 99 ARG HG3 H 1.3350 0.0000 2 900 440 99 ARG HD2 H 3.0060 0.0000 2 901 440 99 ARG HD3 H 2.9650 0.0000 2 902 440 99 ARG C C 175.2530 0.0000 1 903 440 99 ARG CA C 56.9000 0.0000 1 904 440 99 ARG CB C 26.0410 0.0000 1 905 440 99 ARG CG C 26.7210 0.0000 1 906 440 99 ARG CD C 42.2210 0.0000 1 907 440 99 ARG N N 117.2000 0.0000 1 908 441 100 THR H H 8.6430 0.0000 1 909 441 100 THR HA H 4.3710 0.0000 1 910 441 100 THR HB H 4.0240 0.0000 1 911 441 100 THR HG2 H 1.2760 0.0000 1 912 441 100 THR C C 173.7020 0.0000 1 913 441 100 THR CA C 63.1940 0.0000 1 914 441 100 THR CB C 68.9330 0.0000 1 915 441 100 THR CG2 C 21.0230 0.0000 1 916 441 100 THR N N 122.4000 0.0000 1 917 442 101 PRO HA H 4.1470 0.0000 1 918 442 101 PRO HB2 H 2.2010 0.0000 2 919 442 101 PRO HB3 H 1.9410 0.0000 2 920 442 101 PRO HG2 H 2.1990 0.0000 2 921 442 101 PRO HG3 H 1.9410 0.0000 2 922 442 101 PRO HD2 H 4.2200 0.0000 2 923 442 101 PRO HD3 H 3.7780 0.0000 2 924 442 101 PRO C C 176.2150 0.0000 1 925 442 101 PRO CA C 64.1970 0.0000 1 926 442 101 PRO CB C 32.0440 0.0000 1 927 442 101 PRO CG C 27.9010 0.0000 1 928 442 101 PRO CD C 51.9960 0.0000 1 929 443 102 THR H H 9.1160 0.0000 1 930 443 102 THR HA H 4.6650 0.0000 1 931 443 102 THR HB H 4.6930 0.0000 1 932 443 102 THR HG2 H 1.5500 0.0000 1 933 443 102 THR C C 172.1330 0.0000 1 934 443 102 THR CA C 62.5660 0.0000 1 935 443 102 THR CB C 71.5620 0.0000 1 936 443 102 THR CG2 C 21.1930 0.0000 1 937 443 102 THR N N 122.9320 0.0000 1 938 444 103 GLU H H 8.7200 0.0000 1 939 444 103 GLU HA H 4.9420 0.0000 1 940 444 103 GLU HB2 H 1.9880 0.0000 2 941 444 103 GLU HB3 H 1.8770 0.0000 2 942 444 103 GLU HG2 H 2.2620 0.0000 2 943 444 103 GLU HG3 H 2.6360 0.0000 2 944 444 103 GLU C C 175.2920 0.0000 1 945 444 103 GLU CA C 55.0490 0.0000 1 946 444 103 GLU CB C 31.8610 0.0000 1 947 444 103 GLU CG C 36.9200 0.0000 1 948 444 103 GLU N N 126.3900 0.0000 1 949 445 104 ARG H H 8.1570 0.0000 1 950 445 104 ARG HA H 3.7110 0.0000 1 951 445 104 ARG HB2 H 0.8680 0.0000 2 952 445 104 ARG HB3 H 0.1830 0.0000 2 953 445 104 ARG HG2 H 0.7690 0.0000 2 954 445 104 ARG HG3 H 0.6000 0.0000 2 955 445 104 ARG HD2 H 1.6330 0.0000 2 956 445 104 ARG HD3 H 1.6330 0.0000 2 957 445 104 ARG C C 175.2890 0.0000 1 958 445 104 ARG CA C 55.8560 0.0000 1 959 445 104 ARG CB C 30.6750 0.0000 1 960 445 104 ARG CG C 26.6280 0.0000 1 961 445 104 ARG CD C 43.2350 0.0000 1 962 445 104 ARG N N 123.5050 0.0000 1 963 446 105 ASP H H 8.4760 0.0000 1 964 446 105 ASP HA H 4.6410 0.0000 1 965 446 105 ASP HB2 H 2.6330 0.0000 2 966 446 105 ASP HB3 H 2.4660 0.0000 2 967 446 105 ASP C C 176.0200 0.0000 1 968 446 105 ASP CA C 52.9520 0.0000 1 969 446 105 ASP CB C 41.4000 0.0000 1 970 446 105 ASP N N 126.8000 0.0000 1 971 447 106 GLY H H 8.0560 0.0000 1 972 447 106 GLY HA2 H 3.8530 0.0000 2 973 447 106 GLY HA3 H 3.7380 0.0000 2 974 447 106 GLY C C 174.0730 0.0000 1 975 447 106 GLY CA C 45.8320 0.0000 1 976 447 106 GLY N N 111.2620 0.0000 1 977 448 107 GLY H H 8.3800 0.0000 1 978 448 107 GLY HA2 H 3.9400 0.0000 2 979 448 107 GLY HA3 H 3.6570 0.0000 2 980 448 107 GLY C C 174.0200 0.0000 1 981 448 107 GLY CA C 45.2670 0.0000 1 982 448 107 GLY N N 108.6550 0.0000 1 983 449 108 CYS H H 7.8320 0.0000 1 984 449 108 CYS HA H 3.9970 0.0000 1 985 449 108 CYS HB2 H 2.8220 0.0000 2 986 449 108 CYS HB3 H 2.6920 0.0000 2 987 449 108 CYS C C 174.8550 0.0000 1 988 449 108 CYS CA C 59.2910 0.0000 1 989 449 108 CYS CB C 28.0000 0.0000 1 990 449 108 CYS N N 120.6280 0.0000 1 991 450 109 MET H H 8.9160 0.0000 1 992 450 109 MET HA H 4.5510 0.0000 1 993 450 109 MET HB2 H 3.0380 0.0000 2 994 450 109 MET HB3 H 2.7100 0.0000 2 995 450 109 MET HG2 H 2.8370 0.0000 2 996 450 109 MET HG3 H 2.7000 0.0000 2 997 450 109 MET HE H 1.9480 0.0000 1 998 450 109 MET C C 174.6580 0.0000 1 999 450 109 MET CA C 54.9700 0.0000 1 1000 450 109 MET CB C 34.1000 0.0000 1 1001 450 109 MET CG C 33.6120 0.0000 1 1002 450 109 MET CE C 18.2190 0.0000 1 1003 450 109 MET N N 123.9470 0.0000 1 1004 451 110 HIS H H 7.5570 0.0000 1 1005 451 110 HIS HA H 3.6790 0.0000 1 1006 451 110 HIS HB2 H 2.6090 0.0000 2 1007 451 110 HIS HB3 H 1.1120 0.0000 2 1008 451 110 HIS HD2 H 5.7510 0.0000 1 1009 451 110 HIS C C 172.4430 0.0000 1 1010 451 110 HIS CA C 53.8120 0.0000 1 1011 451 110 HIS CB C 28.9000 0.0000 1 1012 451 110 HIS CD2 C 113.6740 0.0000 1 1013 451 110 HIS N N 120.4900 0.0000 1 1014 452 111 MET H H 9.0870 0.0000 1 1015 452 111 MET HA H 4.3200 0.0000 1 1016 452 111 MET HB2 H 0.8910 0.0000 2 1017 452 111 MET HB3 H 0.1140 0.0000 2 1018 452 111 MET HG2 H 1.9970 0.0000 2 1019 452 111 MET HG3 H 0.6410 0.0000 2 1020 452 111 MET HE H 1.6700 0.0000 1 1021 452 111 MET C C 175.4790 0.0000 1 1022 452 111 MET CA C 52.5890 0.0000 1 1023 452 111 MET CB C 28.0740 0.0000 1 1024 452 111 MET CG C 30.5770 0.0000 1 1025 452 111 MET CE C 16.0790 0.0000 1 1026 452 111 MET N N 128.8000 0.0000 1 1027 453 112 VAL H H 8.0160 0.0000 1 1028 453 112 VAL HA H 4.7940 0.0000 1 1029 453 112 VAL HB H 1.7520 0.0000 1 1030 453 112 VAL HG1 H 0.7180 0.0000 2 1031 453 112 VAL HG2 H 0.3820 0.0000 2 1032 453 112 VAL C C 175.4760 0.0000 1 1033 453 112 VAL CA C 61.3800 0.0000 1 1034 453 112 VAL CB C 33.0890 0.0000 1 1035 453 112 VAL CG1 C 20.6120 0.0000 2 1036 453 112 VAL CG2 C 20.1650 0.0000 2 1037 453 112 VAL N N 122.2000 0.0000 1 1038 454 113 CYS H H 8.9890 0.0000 1 1039 454 113 CYS HA H 4.5950 0.0000 1 1040 454 113 CYS HB2 H 3.4880 0.0000 2 1041 454 113 CYS HB3 H 3.3420 0.0000 2 1042 454 113 CYS C C 177.8330 0.0000 1 1043 454 113 CYS CA C 61.5710 0.0000 1 1044 454 113 CYS CB C 32.0450 0.0000 1 1045 454 113 CYS N N 130.3530 0.0000 1 1046 455 114 THR H H 8.5330 0.0000 1 1047 455 114 THR HA H 4.3930 0.0000 1 1048 455 114 THR HB H 4.6180 0.0000 1 1049 455 114 THR HG2 H 1.3260 0.0000 1 1050 455 114 THR C C 175.2640 0.0000 1 1051 455 114 THR CA C 61.6440 0.0000 1 1052 455 114 THR CB C 69.4000 0.0000 1 1053 455 114 THR CG2 C 21.6300 0.0000 1 1054 455 114 THR N N 119.0000 0.0000 1 1055 456 115 ARG H H 9.0360 0.0000 1 1056 456 115 ARG HA H 4.2250 0.0000 1 1057 456 115 ARG HB2 H 2.1340 0.0000 2 1058 456 115 ARG HB3 H 1.8390 0.0000 2 1059 456 115 ARG HG2 H 1.7510 0.0000 2 1060 456 115 ARG HD2 H 3.3040 0.0000 2 1061 456 115 ARG C C 177.7820 0.0000 1 1062 456 115 ARG CA C 56.9500 0.0000 1 1063 456 115 ARG CB C 30.0500 0.0000 1 1064 456 115 ARG CG C 26.8810 0.0000 1 1065 456 115 ARG CD C 43.1980 0.0000 1 1066 456 115 ARG N N 128.9000 0.0000 1 1067 457 116 ALA H H 9.0420 0.0000 1 1068 457 116 ALA HA H 4.1460 0.0000 1 1069 457 116 ALA HB H 1.4080 0.0000 1 1070 457 116 ALA C C 178.7570 0.0000 1 1071 457 116 ALA CA C 53.9290 0.0000 1 1072 457 116 ALA CB C 17.7100 0.0000 1 1073 457 116 ALA N N 133.1520 0.0000 1 1074 458 117 GLY H H 8.8300 0.0000 1 1075 458 117 GLY HA2 H 4.1430 0.0000 2 1076 458 117 GLY HA3 H 3.7330 0.0000 2 1077 458 117 GLY C C 173.5580 0.0000 1 1078 458 117 GLY CA C 45.4360 0.0000 1 1079 458 117 GLY N N 111.2000 0.0000 1 1080 459 118 CYS H H 8.0420 0.0000 1 1081 459 118 CYS HA H 4.6220 0.0000 1 1082 459 118 CYS HB2 H 3.1740 0.0000 2 1083 459 118 CYS HB3 H 2.4970 0.0000 2 1084 459 118 CYS C C 176.5910 0.0000 1 1085 459 118 CYS CA C 60.4990 0.0000 1 1086 459 118 CYS CB C 30.1740 0.0000 1 1087 459 118 CYS N N 123.0400 0.0000 1 1088 460 119 GLY H H 7.7050 0.0000 1 1089 460 119 GLY HA2 H 4.2380 0.0000 2 1090 460 119 GLY HA3 H 4.0840 0.0000 2 1091 460 119 GLY C C 173.7160 0.0000 1 1092 460 119 GLY CA C 46.0080 0.0000 1 1093 460 119 GLY N N 104.5000 0.0000 1 1094 461 120 PHE H H 8.9470 0.0000 1 1095 461 120 PHE HA H 4.5800 0.0000 1 1096 461 120 PHE HB2 H 3.3680 0.0000 2 1097 461 120 PHE HB3 H 3.0510 0.0000 2 1098 461 120 PHE HD1 H 7.3560 0.0000 3 1099 461 120 PHE HE1 H 7.1650 0.0000 3 1100 461 120 PHE HZ H 7.3160 0.0000 1 1101 461 120 PHE C C 174.4470 0.0000 1 1102 461 120 PHE CA C 59.9460 0.0000 1 1103 461 120 PHE CB C 41.3000 0.0000 1 1104 461 120 PHE CD1 C 132.1810 0.0000 1 1105 461 120 PHE CE1 C 131.2350 0.0000 1 1106 461 120 PHE CZ C 129.0510 0.0000 1 1107 461 120 PHE N N 124.9490 0.0000 1 1108 462 121 GLU H H 7.7990 0.0000 1 1109 462 121 GLU HA H 5.7210 0.0000 1 1110 462 121 GLU HB2 H 2.1630 0.0000 2 1111 462 121 GLU HB3 H 1.8890 0.0000 2 1112 462 121 GLU HG2 H 2.6120 0.0000 2 1113 462 121 GLU HG3 H 2.2500 0.0000 2 1114 462 121 GLU C C 176.0670 0.0000 1 1115 462 121 GLU CA C 54.6240 0.0000 1 1116 462 121 GLU CB C 31.2550 0.0000 1 1117 462 121 GLU CG C 37.0630 0.0000 1 1118 462 121 GLU N N 125.2720 0.0000 1 1119 463 122 TRP H H 9.3000 0.0000 1 1120 463 122 TRP HA H 5.5060 0.0000 1 1121 463 122 TRP HB2 H 3.0990 0.0000 2 1122 463 122 TRP HB3 H 3.0570 0.0000 2 1123 463 122 TRP HD1 H 7.2320 0.0000 1 1124 463 122 TRP HE1 H 10.0360 0.0000 1 1125 463 122 TRP HE3 H 7.5320 0.0000 1 1126 463 122 TRP HZ2 H 7.4900 0.0000 1 1127 463 122 TRP HZ3 H 6.7980 0.0000 1 1128 463 122 TRP HH2 H 7.0220 0.0000 1 1129 463 122 TRP C C 172.8440 0.0000 1 1130 463 122 TRP CA C 53.7710 0.0000 1 1131 463 122 TRP CB C 31.7360 0.0000 1 1132 463 122 TRP CD1 C 124.7070 0.0000 1 1133 463 122 TRP CE3 C 121.0500 0.0000 1 1134 463 122 TRP CZ2 C 113.4410 0.0000 1 1135 463 122 TRP CZ3 C 120.0910 0.0000 1 1136 463 122 TRP CH2 C 125.2870 0.0000 1 1137 463 122 TRP N N 121.5240 0.0000 1 1138 463 122 TRP NE1 N 131.6300 0.0000 1 1139 464 123 CYS H H 8.7520 0.0000 1 1140 464 123 CYS HA H 5.4160 0.0000 1 1141 464 123 CYS HB2 H 3.5210 0.0000 2 1142 464 123 CYS HB3 H 3.1700 0.0000 2 1143 464 123 CYS C C 177.2130 0.0000 1 1144 464 123 CYS CA C 57.7760 0.0000 1 1145 464 123 CYS CB C 32.9300 0.0000 1 1146 464 123 CYS N N 120.8680 0.0000 1 1147 465 124 TRP H H 9.8090 0.0000 1 1148 465 124 TRP HA H 4.4270 0.0000 1 1149 465 124 TRP HB2 H 3.4480 0.0000 2 1150 465 124 TRP HB3 H 3.4010 0.0000 2 1151 465 124 TRP HD1 H 6.9920 0.0000 1 1152 465 124 TRP HE1 H 10.2260 0.0000 1 1153 465 124 TRP HE3 H 7.3940 0.0000 1 1154 465 124 TRP HZ2 H 7.5040 0.0000 1 1155 465 124 TRP HZ3 H 7.2360 0.0000 1 1156 465 124 TRP HH2 H 7.1110 0.0000 1 1157 465 124 TRP C C 176.0510 0.0000 1 1158 465 124 TRP CA C 60.7630 0.0000 1 1159 465 124 TRP CB C 31.1260 0.0000 1 1160 465 124 TRP CD1 C 126.2300 0.0000 1 1161 465 124 TRP CE3 C 126.2660 0.0000 1 1162 465 124 TRP CZ2 C 114.5400 0.0000 1 1163 465 124 TRP CZ3 C 128.6670 0.0000 1 1164 465 124 TRP CH2 C 122.5310 0.0000 1 1165 465 124 TRP N N 131.2090 0.0000 1 1166 465 124 TRP NE1 N 128.2170 0.0000 1 1167 466 125 VAL H H 8.6270 0.0000 1 1168 466 125 VAL HA H 3.6240 0.0000 1 1169 466 125 VAL HB H 1.5580 0.0000 1 1170 466 125 VAL HG1 H 1.0370 0.0000 2 1171 466 125 VAL HG2 H 0.6770 0.0000 2 1172 466 125 VAL C C 178.9430 0.0000 1 1173 466 125 VAL CA C 65.6020 0.0000 1 1174 466 125 VAL CB C 33.1720 0.0000 1 1175 466 125 VAL CG1 C 22.5500 0.0000 2 1176 466 125 VAL CG2 C 21.1590 0.0000 2 1177 466 125 VAL N N 118.2330 0.0000 1 1178 467 126 CYS H H 7.8200 0.0000 1 1179 467 126 CYS HA H 3.4310 0.0000 1 1180 467 126 CYS HB2 H 3.0990 0.0000 2 1181 467 126 CYS HB3 H 2.9400 0.0000 2 1182 467 126 CYS CA C 56.9990 0.0000 1 1183 467 126 CYS CB C 31.8700 0.0000 1 1184 468 127 GLN HA H 4.0360 0.0000 1 1185 468 127 GLN HB2 H 2.3210 0.0000 2 1186 468 127 GLN HG2 H 2.2120 0.0000 2 1187 468 127 GLN HG3 H 2.0520 0.0000 2 1188 468 127 GLN HE21 H 6.7820 0.0000 2 1189 468 127 GLN HE22 H 7.6050 0.0000 2 1190 468 127 GLN CA C 58.0510 0.0000 1 1191 468 127 GLN CB C 26.4760 0.0000 1 1192 468 127 GLN CG C 36.1530 0.0000 1 1193 468 127 GLN NE2 N 111.7290 0.0000 1 1194 469 128 THR HA H 4.6850 0.0000 1 1195 469 128 THR HB H 4.4560 0.0000 1 1196 469 128 THR HG2 H 1.1820 0.0000 1 1197 469 128 THR C C 173.3510 0.0000 1 1198 469 128 THR CA C 59.1760 0.0000 1 1199 469 128 THR CB C 71.7750 0.0000 1 1200 469 128 THR CG2 C 21.1150 0.0000 1 1201 470 129 GLU H H 8.9120 0.0000 1 1202 470 129 GLU HA H 4.2930 0.0000 1 1203 470 129 GLU HB2 H 2.2310 0.0000 2 1204 470 129 GLU HB3 H 2.0800 0.0000 2 1205 470 129 GLU HG2 H 2.3990 0.0000 2 1206 470 129 GLU HG3 H 2.3470 0.0000 2 1207 470 129 GLU C C 175.5390 0.0000 1 1208 470 129 GLU CA C 57.0150 0.0000 1 1209 470 129 GLU CB C 29.9650 0.0000 1 1210 470 129 GLU CG C 35.6700 0.0000 1 1211 470 129 GLU N N 120.9400 0.0000 1 1212 471 130 TRP H H 8.3500 0.0000 1 1213 471 130 TRP HA H 4.2930 0.0000 1 1214 471 130 TRP HB2 H 2.7750 0.0000 2 1215 471 130 TRP HB3 H 2.6460 0.0000 2 1216 471 130 TRP HD1 H 7.1800 0.0000 1 1217 471 130 TRP HE1 H 10.2780 0.0000 1 1218 471 130 TRP HE3 H 7.7390 0.0000 1 1219 471 130 TRP HZ2 H 7.5330 0.0000 1 1220 471 130 TRP HZ3 H 7.2660 0.0000 1 1221 471 130 TRP HH2 H 7.2090 0.0000 1 1222 471 130 TRP C C 175.4080 0.0000 1 1223 471 130 TRP CA C 58.2200 0.0000 1 1224 471 130 TRP CB C 29.5000 0.0000 1 1225 471 130 TRP CD1 C 122.0840 0.0000 1 1226 471 130 TRP CE3 C 121.1690 0.0000 1 1227 471 130 TRP CZ2 C 114.4520 0.0000 1 1228 471 130 TRP CZ3 C 124.8810 0.0000 1 1229 471 130 TRP CH2 C 125.9220 0.0000 1 1230 471 130 TRP N N 126.9980 0.0000 1 1231 471 130 TRP NE1 N 128.4420 0.0000 1 1232 472 131 THR H H 8.0690 0.0000 1 1233 472 131 THR HA H 4.4440 0.0000 1 1234 472 131 THR HG2 H 1.1600 0.0000 1 1235 472 131 THR CA C 58.9300 0.0000 1 1236 472 131 THR CG2 C 21.2100 0.0000 1 1237 472 131 THR N N 117.4800 0.0000 1 1238 473 132 ARG HA H 3.7730 0.0000 1 1239 473 132 ARG HB2 H 1.7730 0.0000 2 1240 473 132 ARG HG2 H 1.6090 0.0000 2 1241 473 132 ARG HD2 H 3.1830 0.0000 2 1242 473 132 ARG C C 178.0530 0.0000 1 1243 473 132 ARG CA C 58.0880 0.0000 1 1244 473 132 ARG CB C 29.4260 0.0000 1 1245 473 132 ARG CG C 27.2400 0.0000 1 1246 473 132 ARG CD C 43.1690 0.0000 1 1247 474 133 ASP H H 7.7180 0.0000 1 1248 474 133 ASP HA H 4.2150 0.0000 1 1249 474 133 ASP HB2 H 2.5120 0.0000 2 1250 474 133 ASP HB3 H 2.4180 0.0000 2 1251 474 133 ASP C C 178.1970 0.0000 1 1252 474 133 ASP CA C 56.8020 0.0000 1 1253 474 133 ASP CB C 40.1820 0.0000 1 1254 474 133 ASP N N 119.9000 0.0000 1 1255 475 134 CYS H H 6.9530 0.0000 1 1256 475 134 CYS HA H 3.3670 0.0000 1 1257 475 134 CYS HB2 H 2.6800 0.0000 2 1258 475 134 CYS HB3 H 1.4290 0.0000 2 1259 475 134 CYS CA C 64.5330 0.0000 1 1260 475 134 CYS CB C 29.0920 0.0000 1 1261 475 134 CYS N N 121.0000 0.0000 1 1262 476 135 MET HA H 4.0210 0.0000 1 1263 476 135 MET HB2 H 2.0870 0.0000 2 1264 476 135 MET HB3 H 1.8540 0.0000 2 1265 476 135 MET HG2 H 2.2100 0.0000 2 1266 476 135 MET HE H 1.8750 0.0000 1 1267 476 135 MET CA C 58.0100 0.0000 1 1268 476 135 MET CB C 32.5500 0.0000 1 1269 476 135 MET CG C 36.1800 0.0000 1 1270 476 135 MET CE C 16.9530 0.0000 1 1271 477 136 GLY H H 9.1550 0.0000 1 1272 477 136 GLY HA2 H 4.0450 0.0000 2 1273 477 136 GLY HA3 H 3.7510 0.0000 2 1274 477 136 GLY C C 174.4060 0.0000 1 1275 477 136 GLY CA C 45.6160 0.0000 1 1276 477 136 GLY N N 111.9380 0.0000 1 1277 478 137 ALA H H 7.3470 0.0000 1 1278 478 137 ALA HA H 4.2910 0.0000 1 1279 478 137 ALA HB H 0.9840 0.0000 1 1280 478 137 ALA C C 178.1960 0.0000 1 1281 478 137 ALA CA C 53.4400 0.0000 1 1282 478 137 ALA CB C 20.3900 0.0000 1 1283 478 137 ALA N N 121.9000 0.0000 1 1284 479 138 HIS H H 8.2970 0.0000 1 1285 479 138 HIS HA H 4.9030 0.0000 1 1286 479 138 HIS HB2 H 3.3100 0.0000 2 1287 479 138 HIS HB3 H 3.2050 0.0000 2 1288 479 138 HIS HD1 H 9.6200 0.0000 1 1289 479 138 HIS HD2 H 7.1800 0.0000 1 1290 479 138 HIS HE1 H 7.7100 0.0000 1 1291 479 138 HIS C C 173.3250 0.0000 1 1292 479 138 HIS CA C 54.5260 0.0000 1 1293 479 138 HIS CB C 27.6000 0.0000 1 1294 479 138 HIS CD2 C 125.9800 0.0000 1 1295 479 138 HIS CE1 C 138.6000 0.0000 1 1296 479 138 HIS N N 115.2000 0.0000 1 1297 480 139 TRP H H 8.0810 0.0000 1 1298 480 139 TRP HA H 4.2950 0.0000 1 1299 480 139 TRP HB2 H 2.7730 0.0000 2 1300 480 139 TRP HB3 H 2.6420 0.0000 2 1301 480 139 TRP HD1 H 6.6290 0.0000 1 1302 480 139 TRP HE1 H 9.3930 0.0000 1 1303 480 139 TRP HE3 H 7.2550 0.0000 1 1304 480 139 TRP HZ2 H 6.9580 0.0000 1 1305 480 139 TRP HZ3 H 7.4240 0.0000 1 1306 480 139 TRP HH2 H 7.1140 0.0000 1 1307 480 139 TRP C C 175.5680 0.0000 1 1308 480 139 TRP CA C 58.3580 0.0000 1 1309 480 139 TRP CB C 29.5500 0.0000 1 1310 480 139 TRP CD1 C 126.5500 0.0000 1 1311 480 139 TRP CE3 C 119.5390 0.0000 1 1312 480 139 TRP CZ2 C 113.7020 0.0000 1 1313 480 139 TRP CZ3 C 122.7410 0.0000 1 1314 480 139 TRP CH2 C 123.7470 0.0000 1 1315 480 139 TRP N N 121.7800 0.0000 1 1316 480 139 TRP NE1 N 128.9340 0.0000 1 1317 481 140 PHE HA H 4.8450 0.0000 1 1318 481 140 PHE HB2 H 3.0600 0.0000 2 1319 481 140 PHE HB3 H 2.7920 0.0000 2 1320 481 140 PHE HD2 H 7.0280 0.0000 3 1321 481 140 PHE HE2 H 6.8670 0.0000 3 1322 481 140 PHE HZ H 7.1350 0.0000 1 1323 481 140 PHE C C 175.1260 0.0000 1 1324 481 140 PHE CA C 56.4710 0.0000 1 1325 481 140 PHE CB C 41.0060 0.0000 1 1326 481 140 PHE CD2 C 131.7400 0.0000 1 1327 481 140 PHE CE2 C 130.9590 0.0000 1 1328 481 140 PHE CZ C 128.9610 0.0000 1 1329 482 141 GLY H H 7.7190 0.0000 1 1330 482 141 GLY HA2 H 3.7250 0.0000 2 1331 482 141 GLY HA3 H 3.6590 0.0000 2 1332 482 141 GLY C C 178.2980 0.0000 1 1333 482 141 GLY CA C 46.3790 0.0000 1 1334 482 141 GLY N N 114.9060 0.0000 1 stop_ save_