data_18883 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; TICAM-1 TIR domain structure ; _BMRB_accession_number 18883 _BMRB_flat_file_name bmr18883.str _Entry_type original _Submission_date 2012-12-07 _Accession_date 2012-12-07 _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 Enokizono Yoshiaki . . 2 Kumeta Hiroyuki . . 3 Funami Kenji . . 4 Horiuchi Masataka . . 5 Sarmiento Joy . . 6 Yamashita Kazuo . . 7 Standley Daron M. . 8 Matsumoto Misako . . 9 Seya Tsukasa . . 10 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1013 "13C chemical shifts" 750 "15N chemical shifts" 186 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-01-13 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18882 'TICAM-2 TIR domain' stop_ _Original_release_date 2012-12-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structures and interface mapping of the TIR domain-containing adaptor molecules involved in interferon signaling ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24255114 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Enokizono Yoshiaki . . 2 Kumeta Hiroyuki . . 3 Funami Kenji . . 4 Horiuchi Masataka . . 5 Sarmiento Joy . . 6 Yamashita Kazuo . . 7 Standley Daron M. . 8 Matsumoto Misako . . 9 Seya Tsukasa . . 10 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 110 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19908 _Page_last 19913 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TICAM-1 TIR domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TICAM-1 TIR domain' $TICAM1TIR 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_TICAM1TIR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TICAM1TIR _Molecular_mass 18061.678 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; MESSSEQKFYNFVILHARAD EHIALRVREKLEALGVPDGA TFCEDFQVHGRGELSCLQDA IDHSAFIILLLTSNFDCRLS LHQVNQAMMSNLTRQGSPDC VIPFLPLESSPAQLSSDTAS LLSGLVRLDEHSQIFARKVA NTFKPHRLQARKAMWRKEQD LEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 386 MET 2 387 GLU 3 388 SER 4 389 SER 5 390 SER 6 391 GLU 7 392 GLN 8 393 LYS 9 394 PHE 10 395 TYR 11 396 ASN 12 397 PHE 13 398 VAL 14 399 ILE 15 400 LEU 16 401 HIS 17 402 ALA 18 403 ARG 19 404 ALA 20 405 ASP 21 406 GLU 22 407 HIS 23 408 ILE 24 409 ALA 25 410 LEU 26 411 ARG 27 412 VAL 28 413 ARG 29 414 GLU 30 415 LYS 31 416 LEU 32 417 GLU 33 418 ALA 34 419 LEU 35 420 GLY 36 421 VAL 37 422 PRO 38 423 ASP 39 424 GLY 40 425 ALA 41 426 THR 42 427 PHE 43 428 CYS 44 429 GLU 45 430 ASP 46 431 PHE 47 432 GLN 48 433 VAL 49 434 HIS 50 435 GLY 51 436 ARG 52 437 GLY 53 438 GLU 54 439 LEU 55 440 SER 56 441 CYS 57 442 LEU 58 443 GLN 59 444 ASP 60 445 ALA 61 446 ILE 62 447 ASP 63 448 HIS 64 449 SER 65 450 ALA 66 451 PHE 67 452 ILE 68 453 ILE 69 454 LEU 70 455 LEU 71 456 LEU 72 457 THR 73 458 SER 74 459 ASN 75 460 PHE 76 461 ASP 77 462 CYS 78 463 ARG 79 464 LEU 80 465 SER 81 466 LEU 82 467 HIS 83 468 GLN 84 469 VAL 85 470 ASN 86 471 GLN 87 472 ALA 88 473 MET 89 474 MET 90 475 SER 91 476 ASN 92 477 LEU 93 478 THR 94 479 ARG 95 480 GLN 96 481 GLY 97 482 SER 98 483 PRO 99 484 ASP 100 485 CYS 101 486 VAL 102 487 ILE 103 488 PRO 104 489 PHE 105 490 LEU 106 491 PRO 107 492 LEU 108 493 GLU 109 494 SER 110 495 SER 111 496 PRO 112 497 ALA 113 498 GLN 114 499 LEU 115 500 SER 116 501 SER 117 502 ASP 118 503 THR 119 504 ALA 120 505 SER 121 506 LEU 122 507 LEU 123 508 SER 124 509 GLY 125 510 LEU 126 511 VAL 127 512 ARG 128 513 LEU 129 514 ASP 130 515 GLU 131 516 HIS 132 517 SER 133 518 GLN 134 519 ILE 135 520 PHE 136 521 ALA 137 522 ARG 138 523 LYS 139 524 VAL 140 525 ALA 141 526 ASN 142 527 THR 143 528 PHE 144 529 LYS 145 530 PRO 146 531 HIS 147 532 ARG 148 533 LEU 149 534 GLN 150 535 ALA 151 536 ARG 152 537 LYS 153 538 ALA 154 539 MET 155 540 TRP 156 541 ARG 157 542 LYS 158 543 GLU 159 544 GLN 160 545 ASP 161 161 LEU 162 162 GLU 163 163 HIS 164 164 HIS 165 165 HIS 166 166 HIS 167 167 HIS 168 168 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TICAM1TIR Humans 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $TICAM1TIR 'recombinant technology' . Escherichia coli BL21(DE3) pET22b 'co-expression pG-Tf2' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN _Saveframe_category sample _Sample_type solution _Details 'TICAM-1 TIR (387-545)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TICAM1TIR 0.5 mM '[U-99% 13C; U-99% 15N]' 'AcOH Buffer' 20 mM 'natural abundance' DTT 5 mM 'natural abundance' DSS 0.02 mg/mL 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2007.068.09.07 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' refinement stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 2007.068.09.07 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $CN save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $CN save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $CN save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CN save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $CN save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $CN save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $CN save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $CN save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $CN save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $CN save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $CN save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $CN save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $CN save_ save_3D_HCACO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $CN save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $CN save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $CN save_ save_2D_1H-13C_HSQC_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $CN 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' 20 . mM pH 5.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 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' '2D 1H-13C HSQC aromatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $CN stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'TICAM-1 TIR domain' _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 1 386 1 MET HA H 4.150 . . 2 386 1 MET HB2 H 2.169 . . 3 386 1 MET HB3 H 2.169 . . 4 386 1 MET HG2 H 2.604 . . 5 386 1 MET HG3 H 2.604 . . 6 386 1 MET HE H 2.096 . . 7 386 1 MET C C 172.264 . . 8 386 1 MET CA C 55.095 . . 9 386 1 MET CB C 32.869 . . 10 386 1 MET CG C 30.810 . . 11 386 1 MET CE C 16.803 . . 12 387 2 GLU H H 8.902 . . 13 387 2 GLU HA H 4.439 . . 14 387 2 GLU HB2 H 1.969 . . 15 387 2 GLU HB3 H 2.104 . . 16 387 2 GLU HG2 H 2.313 . . 17 387 2 GLU HG3 H 2.313 . . 18 387 2 GLU C C 176.100 . . 19 387 2 GLU CA C 56.420 . . 20 387 2 GLU CB C 30.366 . . 21 387 2 GLU CG C 36.023 . . 22 387 2 GLU N N 124.146 . . 23 388 3 SER H H 8.613 . . 24 388 3 SER HA H 4.503 . . 25 388 3 SER HB2 H 3.869 . . 26 388 3 SER HB3 H 3.910 . . 27 388 3 SER C C 174.684 . . 28 388 3 SER CA C 58.374 . . 29 388 3 SER CB C 63.849 . . 30 388 3 SER N N 117.607 . . 31 389 4 SER H H 8.508 . . 32 389 4 SER HA H 4.511 . . 33 389 4 SER HB2 H 3.895 . . 34 389 4 SER HB3 H 3.895 . . 35 389 4 SER C C 174.805 . . 36 389 4 SER CA C 58.504 . . 37 389 4 SER CB C 63.758 . . 38 389 4 SER N N 117.752 . . 39 390 5 SER H H 8.398 . . 40 390 5 SER HA H 4.469 . . 41 390 5 SER HB2 H 3.871 . . 42 390 5 SER HB3 H 3.871 . . 43 390 5 SER C C 174.484 . . 44 390 5 SER CA C 58.619 . . 45 390 5 SER CB C 63.764 . . 46 390 5 SER N N 117.479 . . 47 391 6 GLU H H 8.305 . . 48 391 6 GLU HA H 4.309 . . 49 391 6 GLU HB2 H 1.953 . . 50 391 6 GLU HB3 H 2.059 . . 51 391 6 GLU HG2 H 2.260 . . 52 391 6 GLU HG3 H 2.301 . . 53 391 6 GLU C C 176.260 . . 54 391 6 GLU CA C 56.530 . . 55 391 6 GLU CB C 30.322 . . 56 391 6 GLU CG C 36.094 . . 57 391 6 GLU N N 122.274 . . 58 392 7 GLN H H 8.355 . . 59 392 7 GLN HA H 4.315 . . 60 392 7 GLN HB2 H 1.989 . . 61 392 7 GLN HB3 H 2.067 . . 62 392 7 GLN HG2 H 2.277 . . 63 392 7 GLN HG3 H 2.351 . . 64 392 7 GLN HE21 H 7.655 . . 65 392 7 GLN HE22 H 6.976 . . 66 392 7 GLN C C 175.092 . . 67 392 7 GLN CA C 55.606 . . 68 392 7 GLN CB C 29.730 . . 69 392 7 GLN CG C 33.789 . . 70 392 7 GLN CD C 180.230 . . 71 392 7 GLN N N 121.310 . . 72 392 7 GLN NE2 N 113.125 . . 73 393 8 LYS H H 8.124 . . 74 393 8 LYS HA H 4.156 . . 75 393 8 LYS HB2 H 1.294 . . 76 393 8 LYS HB3 H 1.416 . . 77 393 8 LYS HG2 H 0.978 . . 78 393 8 LYS HG3 H 1.054 . . 79 393 8 LYS HD2 H 1.504 . . 80 393 8 LYS HD3 H 1.504 . . 81 393 8 LYS HE2 H 2.775 . . 82 393 8 LYS HE3 H 2.775 . . 83 393 8 LYS C C 173.491 . . 84 393 8 LYS CA C 55.798 . . 85 393 8 LYS CB C 33.717 . . 86 393 8 LYS CG C 24.648 . . 87 393 8 LYS CD C 28.848 . . 88 393 8 LYS CE C 42.087 . . 89 393 8 LYS N N 123.136 . . 90 394 9 PHE H H 7.698 . . 91 394 9 PHE HA H 4.305 . . 92 394 9 PHE HB2 H 1.586 . . 93 394 9 PHE HB3 H 2.232 . . 94 394 9 PHE HD1 H 6.271 . . 95 394 9 PHE HD2 H 6.271 . . 96 394 9 PHE HE1 H 6.926 . . 97 394 9 PHE HE2 H 6.926 . . 98 394 9 PHE HZ H 6.978 . . 99 394 9 PHE C C 174.274 . . 100 394 9 PHE CA C 56.506 . . 101 394 9 PHE CB C 41.095 . . 102 394 9 PHE CD2 C 131.621 . . 103 394 9 PHE CE2 C 130.661 . . 104 394 9 PHE CZ C 129.586 . . 105 394 9 PHE N N 121.590 . . 106 395 10 TYR H H 8.392 . . 107 395 10 TYR HA H 4.599 . . 108 395 10 TYR HB2 H 2.839 . . 109 395 10 TYR HB3 H 2.979 . . 110 395 10 TYR HD1 H 6.657 . . 111 395 10 TYR HD2 H 6.657 . . 112 395 10 TYR HE1 H 6.508 . . 113 395 10 TYR HE2 H 6.508 . . 114 395 10 TYR C C 175.771 . . 115 395 10 TYR CA C 56.834 . . 116 395 10 TYR CB C 39.240 . . 117 395 10 TYR CD1 C 133.084 . . 118 395 10 TYR CE1 C 117.395 . . 119 395 10 TYR N N 125.520 . . 120 396 11 ASN H H 8.698 . . 121 396 11 ASN HA H 4.844 . . 122 396 11 ASN HB2 H 2.581 . . 123 396 11 ASN HB3 H 3.122 . . 124 396 11 ASN C C 175.695 . . 125 396 11 ASN CA C 55.267 . . 126 396 11 ASN CB C 38.726 . . 127 396 11 ASN N N 119.959 . . 128 397 12 PHE H H 6.945 . . 129 397 12 PHE HA H 5.835 . . 130 397 12 PHE HB2 H 2.687 . . 131 397 12 PHE HB3 H 3.215 . . 132 397 12 PHE HD1 H 6.624 . . 133 397 12 PHE HD2 H 6.624 . . 134 397 12 PHE HE1 H 6.957 . . 135 397 12 PHE HE2 H 6.957 . . 136 397 12 PHE HZ H 6.697 . . 137 397 12 PHE C C 171.769 . . 138 397 12 PHE CA C 55.640 . . 139 397 12 PHE CB C 41.175 . . 140 397 12 PHE CD1 C 132.652 . . 141 397 12 PHE CE1 C 130.353 . . 142 397 12 PHE CZ C 128.259 . . 143 397 12 PHE N N 108.003 . . 144 398 13 VAL H H 8.248 . . 145 398 13 VAL HA H 4.632 . . 146 398 13 VAL HB H 1.916 . . 147 398 13 VAL HG1 H 0.536 . . 148 398 13 VAL HG2 H 0.745 . . 149 398 13 VAL C C 173.392 . . 150 398 13 VAL CA C 58.524 . . 151 398 13 VAL CB C 34.191 . . 152 398 13 VAL CG1 C 22.146 . . 153 398 13 VAL CG2 C 20.264 . . 154 398 13 VAL N N 116.859 . . 155 399 14 ILE H H 8.813 . . 156 399 14 ILE HA H 4.669 . . 157 399 14 ILE HB H 1.885 . . 158 399 14 ILE HG12 H 0.751 . . 159 399 14 ILE HG13 H 1.935 . . 160 399 14 ILE HG2 H 0.718 . . 161 399 14 ILE HD1 H 0.785 . . 162 399 14 ILE C C 174.745 . . 163 399 14 ILE CA C 60.413 . . 164 399 14 ILE CB C 39.068 . . 165 399 14 ILE CG1 C 27.702 . . 166 399 14 ILE CG2 C 18.724 . . 167 399 14 ILE CD1 C 15.254 . . 168 399 14 ILE N N 126.593 . . 169 400 15 LEU H H 9.646 . . 170 400 15 LEU HA H 5.461 . . 171 400 15 LEU HB2 H 1.791 . . 172 400 15 LEU HB3 H 1.904 . . 173 400 15 LEU HG H 1.800 . . 174 400 15 LEU HD1 H 0.858 . . 175 400 15 LEU HD2 H 0.866 . . 176 400 15 LEU C C 175.546 . . 177 400 15 LEU CA C 54.141 . . 178 400 15 LEU CB C 42.434 . . 179 400 15 LEU CG C 27.688 . . 180 400 15 LEU CD1 C 25.981 . . 181 400 15 LEU CD2 C 24.976 . . 182 400 15 LEU N N 131.458 . . 183 401 16 HIS H H 7.941 . . 184 401 16 HIS HA H 5.315 . . 185 401 16 HIS HB2 H 2.715 . . 186 401 16 HIS HB3 H 3.264 . . 187 401 16 HIS HD2 H 6.828 . . 188 401 16 HIS HE1 H 7.515 . . 189 401 16 HIS HE2 H 10.940 . . 190 401 16 HIS C C 173.824 . . 191 401 16 HIS CA C 53.036 . . 192 401 16 HIS CB C 34.520 . . 193 401 16 HIS CD2 C 129.623 . . 194 401 16 HIS CE1 C 136.810 . . 195 401 16 HIS N N 115.280 . . 196 401 16 HIS NE2 N 167.793 . . 197 402 17 ALA H H 9.537 . . 198 402 17 ALA HA H 4.716 . . 199 402 17 ALA HB H 1.628 . . 200 402 17 ALA C C 181.612 . . 201 402 17 ALA CA C 51.171 . . 202 402 17 ALA CB C 19.500 . . 203 402 17 ALA N N 124.127 . . 204 403 18 ARG H H 10.351 . . 205 403 18 ARG HA H 4.060 . . 206 403 18 ARG HB2 H 1.877 . . 207 403 18 ARG HB3 H 1.877 . . 208 403 18 ARG HG2 H 1.629 . . 209 403 18 ARG HG3 H 1.629 . . 210 403 18 ARG HD2 H 3.075 . . 211 403 18 ARG HD3 H 3.075 . . 212 403 18 ARG HE H 7.295 . . 213 403 18 ARG HH11 H 6.695 . . 214 403 18 ARG HH12 H 6.588 . . 215 403 18 ARG HH21 H 6.588 . . 216 403 18 ARG HH22 H 6.695 . . 217 403 18 ARG C C 178.742 . . 218 403 18 ARG CA C 60.863 . . 219 403 18 ARG CB C 29.463 . . 220 403 18 ARG CG C 26.317 . . 221 403 18 ARG CD C 42.949 . . 222 403 18 ARG CZ C 159.393 . . 223 403 18 ARG N N 131.985 . . 224 403 18 ARG NE N 83.994 . . 225 404 19 ALA H H 8.993 . . 226 404 19 ALA HA H 4.234 . . 227 404 19 ALA HB H 1.355 . . 228 404 19 ALA C C 177.719 . . 229 404 19 ALA CA C 54.034 . . 230 404 19 ALA CB C 18.781 . . 231 404 19 ALA N N 119.191 . . 232 405 20 ASP H H 7.682 . . 233 405 20 ASP HA H 4.993 . . 234 405 20 ASP HB2 H 2.773 . . 235 405 20 ASP HB3 H 3.017 . . 236 405 20 ASP C C 176.722 . . 237 405 20 ASP CA C 53.385 . . 238 405 20 ASP CB C 42.861 . . 239 405 20 ASP N N 113.590 . . 240 406 21 GLU H H 7.718 . . 241 406 21 GLU HA H 3.070 . . 242 406 21 GLU HB2 H 2.146 . . 243 406 21 GLU HB3 H 2.276 . . 244 406 21 GLU HG2 H 2.056 . . 245 406 21 GLU HG3 H 2.131 . . 246 406 21 GLU C C 176.516 . . 247 406 21 GLU CA C 60.631 . . 248 406 21 GLU CB C 29.773 . . 249 406 21 GLU CG C 35.350 . . 250 406 21 GLU N N 122.708 . . 251 407 22 HIS H H 8.968 . . 252 407 22 HIS HA H 4.240 . . 253 407 22 HIS HB2 H 3.234 . . 254 407 22 HIS HB3 H 3.234 . . 255 407 22 HIS HD2 H 7.314 . . 256 407 22 HIS HE1 H 8.476 . . 257 407 22 HIS C C 177.423 . . 258 407 22 HIS CA C 59.169 . . 259 407 22 HIS CB C 27.784 . . 260 407 22 HIS CD2 C 119.342 . . 261 407 22 HIS CE1 C 137.285 . . 262 407 22 HIS N N 114.383 . . 263 408 23 ILE H H 6.892 . . 264 408 23 ILE HA H 3.497 . . 265 408 23 ILE HB H 1.673 . . 266 408 23 ILE HG12 H 0.751 . . 267 408 23 ILE HG13 H 1.220 . . 268 408 23 ILE HG2 H 0.851 . . 269 408 23 ILE HD1 H 0.819 . . 270 408 23 ILE C C 176.712 . . 271 408 23 ILE CA C 64.645 . . 272 408 23 ILE CB C 38.068 . . 273 408 23 ILE CG1 C 27.364 . . 274 408 23 ILE CG2 C 18.162 . . 275 408 23 ILE CD1 C 14.181 . . 276 408 23 ILE N N 120.740 . . 277 409 24 ALA H H 7.699 . . 278 409 24 ALA HA H 3.476 . . 279 409 24 ALA HB H 0.708 . . 280 409 24 ALA C C 178.342 . . 281 409 24 ALA CA C 55.587 . . 282 409 24 ALA CB C 17.885 . . 283 409 24 ALA N N 120.791 . . 284 410 25 LEU H H 7.881 . . 285 410 25 LEU HA H 3.834 . . 286 410 25 LEU HB2 H 1.503 . . 287 410 25 LEU HB3 H 1.638 . . 288 410 25 LEU HG H 1.656 . . 289 410 25 LEU HD1 H 0.804 . . 290 410 25 LEU HD2 H 0.831 . . 291 410 25 LEU C C 178.629 . . 292 410 25 LEU CA C 57.982 . . 293 410 25 LEU CB C 41.298 . . 294 410 25 LEU CG C 26.830 . . 295 410 25 LEU CD1 C 23.170 . . 296 410 25 LEU CD2 C 25.005 . . 297 410 25 LEU N N 115.828 . . 298 411 26 ARG H H 7.399 . . 299 411 26 ARG HA H 3.942 . . 300 411 26 ARG HB2 H 1.720 . . 301 411 26 ARG HB3 H 2.144 . . 302 411 26 ARG HG2 H 1.568 . . 303 411 26 ARG HG3 H 1.670 . . 304 411 26 ARG HD2 H 2.892 . . 305 411 26 ARG HD3 H 3.422 . . 306 411 26 ARG HE H 8.600 . . 307 411 26 ARG C C 179.847 . . 308 411 26 ARG CA C 59.838 . . 309 411 26 ARG CB C 28.825 . . 310 411 26 ARG CG C 25.837 . . 311 411 26 ARG CD C 41.761 . . 312 411 26 ARG CZ C 161.593 . . 313 411 26 ARG N N 121.230 . . 314 411 26 ARG NE N 77.237 . . 315 412 27 VAL H H 8.680 . . 316 412 27 VAL HA H 3.306 . . 317 412 27 VAL HB H 1.692 . . 318 412 27 VAL HG1 H -0.027 . . 319 412 27 VAL HG2 H 0.863 . . 320 412 27 VAL C C 176.961 . . 321 412 27 VAL CA C 67.037 . . 322 412 27 VAL CB C 31.334 . . 323 412 27 VAL CG1 C 21.423 . . 324 412 27 VAL CG2 C 24.295 . . 325 412 27 VAL N N 120.426 . . 326 413 28 ARG H H 8.419 . . 327 413 28 ARG HA H 3.837 . . 328 413 28 ARG HB2 H 1.813 . . 329 413 28 ARG HB3 H 1.963 . . 330 413 28 ARG HG2 H 1.502 . . 331 413 28 ARG HG3 H 1.598 . . 332 413 28 ARG HD2 H 2.861 . . 333 413 28 ARG HD3 H 2.900 . . 334 413 28 ARG HE H 7.545 . . 335 413 28 ARG HH11 H 6.762 . . 336 413 28 ARG HH22 H 6.762 . . 337 413 28 ARG C C 177.859 . . 338 413 28 ARG CA C 60.723 . . 339 413 28 ARG CB C 29.767 . . 340 413 28 ARG CG C 27.688 . . 341 413 28 ARG CD C 43.246 . . 342 413 28 ARG CZ C 159.745 . . 343 413 28 ARG N N 120.592 . . 344 413 28 ARG NE N 84.214 . . 345 413 28 ARG NH2 N 72.630 . . 346 414 29 GLU H H 7.851 . . 347 414 29 GLU HA H 4.001 . . 348 414 29 GLU HB2 H 2.068 . . 349 414 29 GLU HB3 H 2.145 . . 350 414 29 GLU HG2 H 2.273 . . 351 414 29 GLU HG3 H 2.498 . . 352 414 29 GLU C C 178.769 . . 353 414 29 GLU CA C 59.263 . . 354 414 29 GLU CB C 29.323 . . 355 414 29 GLU CG C 36.274 . . 356 414 29 GLU N N 116.197 . . 357 415 30 LYS H H 8.252 . . 358 415 30 LYS HA H 4.190 . . 359 415 30 LYS HB2 H 1.880 . . 360 415 30 LYS HB3 H 2.085 . . 361 415 30 LYS HG2 H 1.543 . . 362 415 30 LYS HG3 H 1.543 . . 363 415 30 LYS HD2 H 1.777 . . 364 415 30 LYS HD3 H 1.777 . . 365 415 30 LYS HE2 H 2.932 . . 366 415 30 LYS HE3 H 3.107 . . 367 415 30 LYS C C 178.257 . . 368 415 30 LYS CA C 59.027 . . 369 415 30 LYS CB C 32.981 . . 370 415 30 LYS CG C 24.825 . . 371 415 30 LYS CD C 29.840 . . 372 415 30 LYS CE C 42.037 . . 373 415 30 LYS N N 122.677 . . 374 416 31 LEU H H 8.532 . . 375 416 31 LEU HA H 3.821 . . 376 416 31 LEU HB2 H 0.696 . . 377 416 31 LEU HB3 H 1.713 . . 378 416 31 LEU HG H 1.535 . . 379 416 31 LEU HD1 H -0.188 . . 380 416 31 LEU HD2 H 0.488 . . 381 416 31 LEU C C 179.178 . . 382 416 31 LEU CA C 58.437 . . 383 416 31 LEU CB C 41.014 . . 384 416 31 LEU CG C 27.155 . . 385 416 31 LEU CD1 C 24.664 . . 386 416 31 LEU CD2 C 23.493 . . 387 416 31 LEU N N 118.059 . . 388 417 32 GLU H H 8.027 . . 389 417 32 GLU HA H 4.326 . . 390 417 32 GLU HB2 H 2.031 . . 391 417 32 GLU HB3 H 2.173 . . 392 417 32 GLU HG2 H 2.787 . . 393 417 32 GLU HG3 H 2.787 . . 394 417 32 GLU C C 181.541 . . 395 417 32 GLU CA C 59.090 . . 396 417 32 GLU CB C 28.687 . . 397 417 32 GLU CG C 36.492 . . 398 417 32 GLU N N 118.026 . . 399 418 33 ALA H H 8.332 . . 400 418 33 ALA HA H 4.220 . . 401 418 33 ALA HB H 1.605 . . 402 418 33 ALA C C 179.875 . . 403 418 33 ALA CA C 54.715 . . 404 418 33 ALA CB C 17.771 . . 405 418 33 ALA N N 124.542 . . 406 419 34 LEU H H 7.810 . . 407 419 34 LEU HA H 4.334 . . 408 419 34 LEU HB2 H 1.776 . . 409 419 34 LEU HB3 H 1.884 . . 410 419 34 LEU HG H 1.975 . . 411 419 34 LEU HD1 H 0.903 . . 412 419 34 LEU HD2 H 0.954 . . 413 419 34 LEU C C 176.606 . . 414 419 34 LEU CA C 55.011 . . 415 419 34 LEU CB C 41.788 . . 416 419 34 LEU CG C 26.840 . . 417 419 34 LEU CD1 C 26.805 . . 418 419 34 LEU CD2 C 22.812 . . 419 419 34 LEU N N 118.734 . . 420 420 35 GLY H H 7.686 . . 421 420 35 GLY HA2 H 4.361 . . 422 420 35 GLY HA3 H 3.680 . . 423 420 35 GLY C C 173.651 . . 424 420 35 GLY CA C 45.299 . . 425 420 35 GLY N N 105.310 . . 426 421 36 VAL H H 8.047 . . 427 421 36 VAL HA H 4.430 . . 428 421 36 VAL HB H 1.793 . . 429 421 36 VAL HG1 H 0.378 . . 430 421 36 VAL HG2 H 0.490 . . 431 421 36 VAL CA C 59.185 . . 432 421 36 VAL CB C 30.438 . . 433 421 36 VAL CG1 C 19.010 . . 434 421 36 VAL CG2 C 21.941 . . 435 421 36 VAL N N 123.290 . . 436 422 37 PRO HA H 4.546 . . 437 422 37 PRO HB2 H 1.887 . . 438 422 37 PRO HB3 H 2.262 . . 439 422 37 PRO HG2 H 1.731 . . 440 422 37 PRO HG3 H 1.970 . . 441 422 37 PRO HD2 H 3.516 . . 442 422 37 PRO HD3 H 3.863 . . 443 422 37 PRO C C 176.327 . . 444 422 37 PRO CA C 62.616 . . 445 422 37 PRO CB C 33.257 . . 446 422 37 PRO CG C 26.840 . . 447 422 37 PRO CD C 49.963 . . 448 423 38 ASP H H 8.587 . . 449 423 38 ASP HA H 4.371 . . 450 423 38 ASP HB2 H 2.794 . . 451 423 38 ASP HB3 H 2.859 . . 452 423 38 ASP C C 175.129 . . 453 423 38 ASP CA C 55.186 . . 454 423 38 ASP CB C 38.969 . . 455 423 38 ASP N N 112.147 . . 456 424 39 GLY H H 8.351 . . 457 424 39 GLY HA2 H 3.473 . . 458 424 39 GLY HA3 H 2.222 . . 459 424 39 GLY C C 173.482 . . 460 424 39 GLY CA C 42.862 . . 461 424 39 GLY N N 106.024 . . 462 425 40 ALA H H 7.132 . . 463 425 40 ALA HA H 4.432 . . 464 425 40 ALA HB H 0.541 . . 465 425 40 ALA C C 176.170 . . 466 425 40 ALA CA C 50.699 . . 467 425 40 ALA CB C 21.805 . . 468 425 40 ALA N N 118.974 . . 469 426 41 THR H H 8.235 . . 470 426 41 THR HA H 5.010 . . 471 426 41 THR HB H 4.397 . . 472 426 41 THR HG2 H 0.918 . . 473 426 41 THR C C 172.577 . . 474 426 41 THR CA C 60.184 . . 475 426 41 THR CB C 70.135 . . 476 426 41 THR CG2 C 22.275 . . 477 426 41 THR N N 109.481 . . 478 427 42 PHE H H 9.062 . . 479 427 42 PHE HA H 4.470 . . 480 427 42 PHE HB2 H 2.477 . . 481 427 42 PHE HB3 H 2.622 . . 482 427 42 PHE HD1 H 6.920 . . 483 427 42 PHE HD2 H 6.920 . . 484 427 42 PHE C C 171.194 . . 485 427 42 PHE CA C 58.832 . . 486 427 42 PHE CB C 42.270 . . 487 427 42 PHE CD2 C 131.658 . . 488 427 42 PHE N N 120.512 . . 489 428 43 CYS H H 7.581 . . 490 428 43 CYS HA H 3.662 . . 491 428 43 CYS HB2 H 2.149 . . 492 428 43 CYS HB3 H 2.149 . . 493 428 43 CYS C C 173.340 . . 494 428 43 CYS CA C 56.585 . . 495 428 43 CYS CB C 27.599 . . 496 428 43 CYS N N 127.207 . . 497 429 44 GLU H H 8.567 . . 498 429 44 GLU HA H 4.118 . . 499 429 44 GLU HB2 H 1.900 . . 500 429 44 GLU HB3 H 1.978 . . 501 429 44 GLU HG2 H 2.272 . . 502 429 44 GLU HG3 H 2.356 . . 503 429 44 GLU C C 174.812 . . 504 429 44 GLU CA C 56.700 . . 505 429 44 GLU CB C 29.864 . . 506 429 44 GLU CG C 34.473 . . 507 429 44 GLU N N 127.820 . . 508 430 45 ASP H H 8.105 . . 509 430 45 ASP HA H 4.537 . . 510 430 45 ASP HB2 H 2.624 . . 511 430 45 ASP HB3 H 2.677 . . 512 430 45 ASP C C 175.805 . . 513 430 45 ASP CA C 53.841 . . 514 430 45 ASP CB C 41.126 . . 515 430 45 ASP N N 119.497 . . 516 431 46 PHE H H 7.766 . . 517 431 46 PHE HA H 4.534 . . 518 431 46 PHE HB2 H 2.946 . . 519 431 46 PHE HB3 H 3.116 . . 520 431 46 PHE HD1 H 7.221 . . 521 431 46 PHE HD2 H 7.221 . . 522 431 46 PHE HE1 H 7.294 . . 523 431 46 PHE HE2 H 7.294 . . 524 431 46 PHE HZ H 7.174 . . 525 431 46 PHE C C 174.990 . . 526 431 46 PHE CA C 57.977 . . 527 431 46 PHE CB C 39.428 . . 528 431 46 PHE CD2 C 131.644 . . 529 431 46 PHE CE2 C 131.688 . . 530 431 46 PHE CZ C 129.632 . . 531 431 46 PHE N N 119.730 . . 532 432 47 GLN H H 8.176 . . 533 432 47 GLN HA H 4.277 . . 534 432 47 GLN HB2 H 1.889 . . 535 432 47 GLN HB3 H 2.023 . . 536 432 47 GLN HG2 H 2.273 . . 537 432 47 GLN HG3 H 2.273 . . 538 432 47 GLN HE21 H 7.552 . . 539 432 47 GLN HE22 H 6.836 . . 540 432 47 GLN C C 175.457 . . 541 432 47 GLN CA C 55.952 . . 542 432 47 GLN CB C 29.511 . . 543 432 47 GLN CG C 33.915 . . 544 432 47 GLN CD C 180.417 . . 545 432 47 GLN N N 120.736 . . 546 432 47 GLN NE2 N 112.240 . . 547 433 48 VAL H H 7.872 . . 548 433 48 VAL HA H 4.023 . . 549 433 48 VAL HB H 1.950 . . 550 433 48 VAL HG1 H 0.861 . . 551 433 48 VAL HG2 H 0.878 . . 552 433 48 VAL C C 175.658 . . 553 433 48 VAL CA C 62.211 . . 554 433 48 VAL CB C 32.768 . . 555 433 48 VAL CG1 C 21.107 . . 556 433 48 VAL CG2 C 20.768 . . 557 433 48 VAL N N 120.168 . . 558 434 49 HIS H H 8.643 . . 559 434 49 HIS HA H 4.768 . . 560 434 49 HIS HB2 H 3.159 . . 561 434 49 HIS HB3 H 3.266 . . 562 434 49 HIS HD2 H 7.280 . . 563 434 49 HIS HE1 H 8.681 . . 564 434 49 HIS C C 174.796 . . 565 434 49 HIS CA C 55.152 . . 566 434 49 HIS CB C 29.481 . . 567 434 49 HIS CD2 C 120.642 . . 568 434 49 HIS CE1 C 136.306 . . 569 434 49 HIS N N 122.265 . . 570 435 50 GLY H H 8.512 . . 571 435 50 GLY HA2 H 4.042 . . 572 435 50 GLY HA3 H 3.946 . . 573 435 50 GLY C C 173.889 . . 574 435 50 GLY CA C 45.142 . . 575 435 50 GLY N N 110.149 . . 576 436 51 ARG H H 8.427 . . 577 436 51 ARG HA H 4.335 . . 578 436 51 ARG HB2 H 1.787 . . 579 436 51 ARG HB3 H 1.896 . . 580 436 51 ARG HG2 H 1.678 . . 581 436 51 ARG HG3 H 1.678 . . 582 436 51 ARG HD2 H 3.206 . . 583 436 51 ARG HD3 H 3.206 . . 584 436 51 ARG HE H 7.246 . . 585 436 51 ARG C C 177.201 . . 586 436 51 ARG CA C 56.625 . . 587 436 51 ARG CB C 30.504 . . 588 436 51 ARG CG C 27.086 . . 589 436 51 ARG CD C 43.341 . . 590 436 51 ARG CZ C 159.590 . . 591 436 51 ARG N N 120.632 . . 592 436 51 ARG NE N 84.434 . . 593 437 52 GLY H H 8.701 . . 594 437 52 GLY HA2 H 4.071 . . 595 437 52 GLY HA3 H 3.917 . . 596 437 52 GLY C C 174.365 . . 597 437 52 GLY CA C 45.410 . . 598 437 52 GLY N N 110.952 . . 599 438 53 GLU H H 8.247 . . 600 438 53 GLU HA H 4.304 . . 601 438 53 GLU HB2 H 1.994 . . 602 438 53 GLU HB3 H 2.070 . . 603 438 53 GLU HG2 H 2.271 . . 604 438 53 GLU HG3 H 2.271 . . 605 438 53 GLU C C 176.796 . . 606 438 53 GLU CA C 57.056 . . 607 438 53 GLU CB C 30.216 . . 608 438 53 GLU CG C 36.038 . . 609 438 53 GLU N N 120.045 . . 610 439 54 LEU H H 8.301 . . 611 439 54 LEU HA H 4.421 . . 612 439 54 LEU HB2 H 1.200 . . 613 439 54 LEU HB3 H 1.857 . . 614 439 54 LEU HG H 1.588 . . 615 439 54 LEU HD1 H 0.617 . . 616 439 54 LEU HD2 H 0.697 . . 617 439 54 LEU C C 177.683 . . 618 439 54 LEU CA C 54.883 . . 619 439 54 LEU CB C 42.792 . . 620 439 54 LEU CG C 26.674 . . 621 439 54 LEU CD1 C 25.381 . . 622 439 54 LEU CD2 C 23.420 . . 623 439 54 LEU N N 120.676 . . 624 440 55 SER H H 9.072 . . 625 440 55 SER HA H 4.330 . . 626 440 55 SER HB2 H 3.929 . . 627 440 55 SER HB3 H 4.006 . . 628 440 55 SER C C 174.741 . . 629 440 55 SER CA C 60.261 . . 630 440 55 SER CB C 64.570 . . 631 440 55 SER N N 116.137 . . 632 441 56 CYS HA H 3.796 . . 633 441 56 CYS CA C 55.121 . . 634 442 57 LEU HA H 3.204 . . 635 442 57 LEU HB2 H 1.560 . . 636 442 57 LEU HB3 H 1.711 . . 637 442 57 LEU HG H 1.373 . . 638 442 57 LEU HD1 H 0.745 . . 639 442 57 LEU HD2 H 0.812 . . 640 442 57 LEU C C 177.954 . . 641 442 57 LEU CA C 57.904 . . 642 442 57 LEU CB C 41.028 . . 643 442 57 LEU CG C 27.060 . . 644 442 57 LEU CD1 C 24.088 . . 645 442 57 LEU CD2 C 26.207 . . 646 443 58 GLN H H 8.701 . . 647 443 58 GLN HA H 3.545 . . 648 443 58 GLN HB2 H 1.991 . . 649 443 58 GLN HB3 H 2.176 . . 650 443 58 GLN HG2 H 2.325 . . 651 443 58 GLN HG3 H 2.427 . . 652 443 58 GLN HE21 H 8.040 . . 653 443 58 GLN HE22 H 7.053 . . 654 443 58 GLN C C 177.125 . . 655 443 58 GLN CA C 59.295 . . 656 443 58 GLN CB C 28.633 . . 657 443 58 GLN CG C 33.590 . . 658 443 58 GLN CD C 180.139 . . 659 443 58 GLN N N 118.090 . . 660 443 58 GLN NE2 N 115.201 . . 661 444 59 ASP H H 7.381 . . 662 444 59 ASP HA H 4.385 . . 663 444 59 ASP HB2 H 2.711 . . 664 444 59 ASP HB3 H 2.798 . . 665 444 59 ASP C C 178.250 . . 666 444 59 ASP CA C 57.248 . . 667 444 59 ASP CB C 41.193 . . 668 444 59 ASP N N 117.663 . . 669 445 60 ALA H H 7.408 . . 670 445 60 ALA HA H 3.790 . . 671 445 60 ALA HB H 0.932 . . 672 445 60 ALA C C 178.530 . . 673 445 60 ALA CA C 55.093 . . 674 445 60 ALA CB C 17.210 . . 675 445 60 ALA N N 120.878 . . 676 446 61 ILE H H 7.985 . . 677 446 61 ILE HA H 3.580 . . 678 446 61 ILE HB H 1.825 . . 679 446 61 ILE HG12 H 1.227 . . 680 446 61 ILE HG13 H 1.430 . . 681 446 61 ILE HG2 H 0.840 . . 682 446 61 ILE HD1 H 0.754 . . 683 446 61 ILE C C 178.093 . . 684 446 61 ILE CA C 63.818 . . 685 446 61 ILE CB C 37.530 . . 686 446 61 ILE CG1 C 29.643 . . 687 446 61 ILE CG2 C 17.964 . . 688 446 61 ILE CD1 C 14.160 . . 689 446 61 ILE N N 117.251 . . 690 447 62 ASP H H 8.539 . . 691 447 62 ASP HA H 4.395 . . 692 447 62 ASP HB2 H 2.490 . . 693 447 62 ASP HB3 H 2.659 . . 694 447 62 ASP C C 177.383 . . 695 447 62 ASP CA C 56.603 . . 696 447 62 ASP CB C 40.505 . . 697 447 62 ASP N N 118.338 . . 698 448 63 HIS H H 7.422 . . 699 448 63 HIS HA H 4.630 . . 700 448 63 HIS HB2 H 2.822 . . 701 448 63 HIS HB3 H 3.871 . . 702 448 63 HIS C C 171.362 . . 703 448 63 HIS CA C 55.707 . . 704 448 63 HIS CB C 28.505 . . 705 448 63 HIS N N 112.392 . . 706 449 64 SER H H 6.954 . . 707 449 64 SER HA H 5.221 . . 708 449 64 SER HB2 H 3.347 . . 709 449 64 SER HB3 H 3.347 . . 710 449 64 SER C C 174.161 . . 711 449 64 SER CA C 56.680 . . 712 449 64 SER CB C 66.508 . . 713 449 64 SER N N 111.448 . . 714 450 65 ALA H H 7.874 . . 715 450 65 ALA HA H 4.237 . . 716 450 65 ALA HB H 1.837 . . 717 450 65 ALA C C 176.909 . . 718 450 65 ALA CA C 54.355 . . 719 450 65 ALA CB C 19.101 . . 720 450 65 ALA N N 123.672 . . 721 451 66 PHE H H 7.393 . . 722 451 66 PHE HA H 5.155 . . 723 451 66 PHE HB2 H 2.957 . . 724 451 66 PHE HB3 H 3.278 . . 725 451 66 PHE HD1 H 7.502 . . 726 451 66 PHE HD2 H 7.502 . . 727 451 66 PHE HE1 H 7.235 . . 728 451 66 PHE HE2 H 7.235 . . 729 451 66 PHE HZ H 7.200 . . 730 451 66 PHE C C 174.385 . . 731 451 66 PHE CA C 57.285 . . 732 451 66 PHE CB C 43.405 . . 733 451 66 PHE CD1 C 132.659 . . 734 451 66 PHE CE1 C 130.494 . . 735 451 66 PHE CZ C 129.901 . . 736 451 66 PHE N N 112.470 . . 737 452 67 ILE H H 9.134 . . 738 452 67 ILE HA H 4.682 . . 739 452 67 ILE HB H 1.989 . . 740 452 67 ILE HG12 H 1.258 . . 741 452 67 ILE HG13 H 1.316 . . 742 452 67 ILE HG2 H 0.855 . . 743 452 67 ILE HD1 H 0.752 . . 744 452 67 ILE C C 174.010 . . 745 452 67 ILE CA C 59.149 . . 746 452 67 ILE CB C 39.219 . . 747 452 67 ILE CG1 C 27.804 . . 748 452 67 ILE CG2 C 18.709 . . 749 452 67 ILE CD1 C 13.416 . . 750 452 67 ILE N N 122.539 . . 751 453 68 ILE H H 9.503 . . 752 453 68 ILE HA H 5.154 . . 753 453 68 ILE HB H 1.871 . . 754 453 68 ILE HG12 H 1.201 . . 755 453 68 ILE HG13 H 1.613 . . 756 453 68 ILE HG2 H 0.837 . . 757 453 68 ILE HD1 H 0.521 . . 758 453 68 ILE C C 174.996 . . 759 453 68 ILE CA C 59.263 . . 760 453 68 ILE CB C 39.141 . . 761 453 68 ILE CG1 C 28.206 . . 762 453 68 ILE CG2 C 17.853 . . 763 453 68 ILE CD1 C 13.849 . . 764 453 68 ILE N N 127.025 . . 765 454 69 LEU H H 8.369 . . 766 454 69 LEU HA H 4.603 . . 767 454 69 LEU HB2 H 1.528 . . 768 454 69 LEU HB3 H 1.818 . . 769 454 69 LEU HG H 1.695 . . 770 454 69 LEU HD1 H 0.891 . . 771 454 69 LEU HD2 H 0.938 . . 772 454 69 LEU C C 174.221 . . 773 454 69 LEU CA C 53.036 . . 774 454 69 LEU CB C 42.323 . . 775 454 69 LEU CG C 27.107 . . 776 454 69 LEU CD1 C 26.184 . . 777 454 69 LEU CD2 C 23.707 . . 778 454 69 LEU N N 126.225 . . 779 455 70 LEU H H 7.591 . . 780 455 70 LEU HA H 4.484 . . 781 455 70 LEU HB2 H 0.807 . . 782 455 70 LEU HB3 H 2.298 . . 783 455 70 LEU HG H 1.200 . . 784 455 70 LEU HD1 H 0.686 . . 785 455 70 LEU HD2 H 0.780 . . 786 455 70 LEU C C 173.203 . . 787 455 70 LEU CA C 54.758 . . 788 455 70 LEU CB C 41.497 . . 789 455 70 LEU CG C 27.248 . . 790 455 70 LEU CD1 C 23.744 . . 791 455 70 LEU CD2 C 26.293 . . 792 455 70 LEU N N 125.659 . . 793 456 71 LEU H H 8.626 . . 794 456 71 LEU HA H 4.137 . . 795 456 71 LEU HB2 H 1.329 . . 796 456 71 LEU HB3 H 2.129 . . 797 456 71 LEU HG H 1.877 . . 798 456 71 LEU HD1 H 0.802 . . 799 456 71 LEU HD2 H 0.861 . . 800 456 71 LEU C C 174.980 . . 801 456 71 LEU CA C 56.301 . . 802 456 71 LEU CB C 41.287 . . 803 456 71 LEU CG C 26.217 . . 804 456 71 LEU CD1 C 26.159 . . 805 456 71 LEU CD2 C 23.331 . . 806 456 71 LEU N N 126.964 . . 807 457 72 THR H H 7.172 . . 808 457 72 THR HA H 4.732 . . 809 457 72 THR HB H 4.642 . . 810 457 72 THR HG2 H 1.000 . . 811 457 72 THR C C 176.340 . . 812 457 72 THR CA C 59.673 . . 813 457 72 THR CB C 72.992 . . 814 457 72 THR CG2 C 19.731 . . 815 457 72 THR N N 112.944 . . 816 458 73 SER H H 9.180 . . 817 458 73 SER HA H 4.427 . . 818 458 73 SER HB2 H 3.983 . . 819 458 73 SER HB3 H 4.095 . . 820 458 73 SER C C 174.864 . . 821 458 73 SER CA C 60.852 . . 822 458 73 SER CB C 63.075 . . 823 458 73 SER N N 114.953 . . 824 459 74 ASN H H 8.755 . . 825 459 74 ASN HA H 4.802 . . 826 459 74 ASN HB2 H 2.753 . . 827 459 74 ASN HB3 H 2.983 . . 828 459 74 ASN HD21 H 8.665 . . 829 459 74 ASN HD22 H 7.166 . . 830 459 74 ASN C C 173.978 . . 831 459 74 ASN CA C 53.906 . . 832 459 74 ASN CB C 39.680 . . 833 459 74 ASN CG C 176.853 . . 834 459 74 ASN N N 116.690 . . 835 459 74 ASN ND2 N 119.227 . . 836 460 75 PHE H H 7.585 . . 837 460 75 PHE HA H 4.590 . . 838 460 75 PHE HB2 H 3.377 . . 839 460 75 PHE HB3 H 3.555 . . 840 460 75 PHE HD1 H 7.305 . . 841 460 75 PHE HD2 H 7.305 . . 842 460 75 PHE HE1 H 7.084 . . 843 460 75 PHE HE2 H 7.084 . . 844 460 75 PHE HZ H 7.231 . . 845 460 75 PHE C C 173.986 . . 846 460 75 PHE CA C 57.737 . . 847 460 75 PHE CB C 42.103 . . 848 460 75 PHE CD1 C 132.134 . . 849 460 75 PHE CE1 C 130.086 . . 850 460 75 PHE CZ C 129.175 . . 851 460 75 PHE N N 122.883 . . 852 461 76 ASP HA H 4.668 . . 853 461 76 ASP HB2 H 2.352 . . 854 461 76 ASP HB3 H 2.763 . . 855 461 76 ASP C C 175.420 . . 856 461 76 ASP CA C 52.128 . . 857 461 76 ASP CB C 39.880 . . 858 462 77 CYS H H 8.550 . . 859 462 77 CYS HA H 3.866 . . 860 462 77 CYS HB2 H 2.983 . . 861 462 77 CYS HB3 H 2.983 . . 862 462 77 CYS C C 175.322 . . 863 462 77 CYS CA C 62.349 . . 864 462 77 CYS CB C 27.376 . . 865 462 77 CYS N N 126.268 . . 866 463 78 ARG H H 8.365 . . 867 463 78 ARG HA H 3.810 . . 868 463 78 ARG HB2 H 1.872 . . 869 463 78 ARG HB3 H 1.872 . . 870 463 78 ARG HG2 H 1.445 . . 871 463 78 ARG HG3 H 1.592 . . 872 463 78 ARG HD2 H 3.173 . . 873 463 78 ARG HD3 H 3.268 . . 874 463 78 ARG HE H 7.638 . . 875 463 78 ARG C C 178.671 . . 876 463 78 ARG CA C 60.125 . . 877 463 78 ARG CB C 29.937 . . 878 463 78 ARG CG C 27.586 . . 879 463 78 ARG CD C 43.017 . . 880 463 78 ARG CZ C 159.585 . . 881 463 78 ARG N N 119.481 . . 882 463 78 ARG NE N 83.664 . . 883 464 79 LEU H H 7.805 . . 884 464 79 LEU HA H 4.116 . . 885 464 79 LEU HB2 H 1.390 . . 886 464 79 LEU HB3 H 1.449 . . 887 464 79 LEU HG H 1.445 . . 888 464 79 LEU HD1 H 0.832 . . 889 464 79 LEU HD2 H 0.899 . . 890 464 79 LEU C C 179.247 . . 891 464 79 LEU CA C 57.489 . . 892 464 79 LEU CB C 41.993 . . 893 464 79 LEU CG C 26.970 . . 894 464 79 LEU CD1 C 25.054 . . 895 464 79 LEU CD2 C 23.482 . . 896 464 79 LEU N N 120.291 . . 897 465 80 SER H H 7.802 . . 898 465 80 SER HA H 4.251 . . 899 465 80 SER HB2 H 3.619 . . 900 465 80 SER HB3 H 3.619 . . 901 465 80 SER C C 176.518 . . 902 465 80 SER CA C 62.493 . . 903 465 80 SER CB C 63.303 . . 904 465 80 SER N N 113.466 . . 905 466 81 LEU H H 8.595 . . 906 466 81 LEU HA H 4.001 . . 907 466 81 LEU HB2 H 1.713 . . 908 466 81 LEU HB3 H 1.713 . . 909 466 81 LEU HG H 1.764 . . 910 466 81 LEU HD1 H 0.866 . . 911 466 81 LEU HD2 H 0.886 . . 912 466 81 LEU C C 178.781 . . 913 466 81 LEU CA C 58.052 . . 914 466 81 LEU CB C 41.918 . . 915 466 81 LEU CG C 27.093 . . 916 466 81 LEU CD1 C 24.762 . . 917 466 81 LEU CD2 C 25.096 . . 918 466 81 LEU N N 119.694 . . 919 467 82 HIS H H 7.743 . . 920 467 82 HIS HA H 4.422 . . 921 467 82 HIS HB2 H 3.408 . . 922 467 82 HIS HB3 H 3.484 . . 923 467 82 HIS HD2 H 7.170 . . 924 467 82 HIS C C 177.523 . . 925 467 82 HIS CA C 59.525 . . 926 467 82 HIS CB C 28.590 . . 927 467 82 HIS CD2 C 119.383 . . 928 467 82 HIS N N 117.017 . . 929 468 83 GLN H H 8.420 . . 930 468 83 GLN HA H 3.981 . . 931 468 83 GLN HB2 H 1.964 . . 932 468 83 GLN HB3 H 2.332 . . 933 468 83 GLN HG2 H 2.428 . . 934 468 83 GLN HG3 H 2.721 . . 935 468 83 GLN HE21 H 7.511 . . 936 468 83 GLN HE22 H 7.008 . . 937 468 83 GLN C C 179.384 . . 938 468 83 GLN CA C 59.157 . . 939 468 83 GLN CB C 28.533 . . 940 468 83 GLN CG C 34.195 . . 941 468 83 GLN CD C 179.703 . . 942 468 83 GLN N N 118.167 . . 943 468 83 GLN NE2 N 111.025 . . 944 469 84 VAL H H 8.845 . . 945 469 84 VAL HA H 3.463 . . 946 469 84 VAL HB H 2.206 . . 947 469 84 VAL HG1 H 0.926 . . 948 469 84 VAL HG2 H 1.025 . . 949 469 84 VAL C C 177.180 . . 950 469 84 VAL CA C 66.848 . . 951 469 84 VAL CB C 31.971 . . 952 469 84 VAL CG1 C 21.962 . . 953 469 84 VAL CG2 C 24.155 . . 954 469 84 VAL N N 120.824 . . 955 470 85 ASN H H 8.542 . . 956 470 85 ASN HA H 4.413 . . 957 470 85 ASN HB2 H 2.729 . . 958 470 85 ASN HB3 H 2.924 . . 959 470 85 ASN HD21 H 7.424 . . 960 470 85 ASN HD22 H 6.767 . . 961 470 85 ASN C C 178.126 . . 962 470 85 ASN CA C 56.565 . . 963 470 85 ASN CB C 38.097 . . 964 470 85 ASN CG C 175.572 . . 965 470 85 ASN N N 117.970 . . 966 470 85 ASN ND2 N 110.120 . . 967 471 86 GLN H H 8.019 . . 968 471 86 GLN HA H 3.966 . . 969 471 86 GLN HB2 H 2.028 . . 970 471 86 GLN HB3 H 2.028 . . 971 471 86 GLN HG2 H 2.211 . . 972 471 86 GLN HG3 H 2.252 . . 973 471 86 GLN HE21 H 7.423 . . 974 471 86 GLN HE22 H 6.841 . . 975 471 86 GLN C C 178.467 . . 976 471 86 GLN CA C 58.794 . . 977 471 86 GLN CB C 28.663 . . 978 471 86 GLN CG C 33.937 . . 979 471 86 GLN CD C 179.846 . . 980 471 86 GLN N N 118.154 . . 981 471 86 GLN NE2 N 111.850 . . 982 472 87 ALA H H 7.899 . . 983 472 87 ALA HA H 4.361 . . 984 472 87 ALA HB H 1.399 . . 985 472 87 ALA C C 180.088 . . 986 472 87 ALA CA C 54.335 . . 987 472 87 ALA CB C 18.402 . . 988 472 87 ALA N N 121.731 . . 989 473 88 MET H H 8.282 . . 990 473 88 MET HA H 4.202 . . 991 473 88 MET HB2 H 2.084 . . 992 473 88 MET HB3 H 2.175 . . 993 473 88 MET HG2 H 2.457 . . 994 473 88 MET HG3 H 2.778 . . 995 473 88 MET HE H 1.939 . . 996 473 88 MET C C 177.580 . . 997 473 88 MET CA C 58.135 . . 998 473 88 MET CB C 33.074 . . 999 473 88 MET CG C 33.082 . . 1000 473 88 MET CE C 17.545 . . 1001 473 88 MET N N 116.582 . . 1002 474 89 MET H H 7.767 . . 1003 474 89 MET HA H 4.367 . . 1004 474 89 MET HB2 H 2.145 . . 1005 474 89 MET HB3 H 2.145 . . 1006 474 89 MET HG2 H 2.636 . . 1007 474 89 MET HG3 H 2.725 . . 1008 474 89 MET HE H 2.068 . . 1009 474 89 MET C C 177.172 . . 1010 474 89 MET CA C 56.718 . . 1011 474 89 MET CB C 32.286 . . 1012 474 89 MET CG C 32.227 . . 1013 474 89 MET CE C 16.790 . . 1014 474 89 MET N N 116.477 . . 1015 475 90 SER H H 7.724 . . 1016 475 90 SER HA H 4.364 . . 1017 475 90 SER HB2 H 3.945 . . 1018 475 90 SER HB3 H 3.991 . . 1019 475 90 SER C C 174.095 . . 1020 475 90 SER CA C 59.427 . . 1021 475 90 SER CB C 63.546 . . 1022 475 90 SER N N 113.601 . . 1023 476 91 ASN H H 7.751 . . 1024 476 91 ASN HA H 4.771 . . 1025 476 91 ASN HB2 H 2.795 . . 1026 476 91 ASN HB3 H 2.967 . . 1027 476 91 ASN HD21 H 7.707 . . 1028 476 91 ASN HD22 H 7.089 . . 1029 476 91 ASN C C 175.523 . . 1030 476 91 ASN CA C 52.976 . . 1031 476 91 ASN CB C 38.831 . . 1032 476 91 ASN CG C 176.894 . . 1033 476 91 ASN N N 119.377 . . 1034 476 91 ASN ND2 N 112.811 . . 1035 477 92 LEU H H 8.473 . . 1036 477 92 LEU HA H 4.229 . . 1037 477 92 LEU HB2 H 1.640 . . 1038 477 92 LEU HB3 H 1.759 . . 1039 477 92 LEU HG H 1.723 . . 1040 477 92 LEU HD1 H 0.883 . . 1041 477 92 LEU HD2 H 0.936 . . 1042 477 92 LEU C C 178.368 . . 1043 477 92 LEU CA C 56.784 . . 1044 477 92 LEU CB C 41.917 . . 1045 477 92 LEU CG C 27.044 . . 1046 477 92 LEU CD1 C 23.177 . . 1047 477 92 LEU CD2 C 25.075 . . 1048 477 92 LEU N N 122.218 . . 1049 478 93 THR H H 8.094 . . 1050 478 93 THR HA H 4.305 . . 1051 478 93 THR HB H 4.323 . . 1052 478 93 THR HG2 H 1.212 . . 1053 478 93 THR C C 174.848 . . 1054 478 93 THR CA C 62.686 . . 1055 478 93 THR CB C 69.360 . . 1056 478 93 THR CG2 C 21.873 . . 1057 478 93 THR N N 110.640 . . 1058 479 94 ARG H H 7.856 . . 1059 479 94 ARG HA H 4.350 . . 1060 479 94 ARG HB2 H 1.805 . . 1061 479 94 ARG HB3 H 1.889 . . 1062 479 94 ARG HG2 H 1.615 . . 1063 479 94 ARG HG3 H 1.615 . . 1064 479 94 ARG HD2 H 3.201 . . 1065 479 94 ARG HD3 H 3.201 . . 1066 479 94 ARG HE H 7.373 . . 1067 479 94 ARG HH11 H 6.656 . . 1068 479 94 ARG HH12 H 6.775 . . 1069 479 94 ARG HH21 H 6.914 . . 1070 479 94 ARG HH22 H 6.656 . . 1071 479 94 ARG C C 175.894 . . 1072 479 94 ARG CA C 56.119 . . 1073 479 94 ARG CB C 30.491 . . 1074 479 94 ARG CG C 27.104 . . 1075 479 94 ARG CD C 43.440 . . 1076 479 94 ARG CZ C 159.574 . . 1077 479 94 ARG N N 121.396 . . 1078 479 94 ARG NE N 84.644 . . 1079 480 95 GLN H H 8.300 . . 1080 480 95 GLN HA H 4.344 . . 1081 480 95 GLN HB2 H 2.035 . . 1082 480 95 GLN HB3 H 2.134 . . 1083 480 95 GLN HG2 H 2.400 . . 1084 480 95 GLN HG3 H 2.400 . . 1085 480 95 GLN HE21 H 7.505 . . 1086 480 95 GLN HE22 H 6.830 . . 1087 480 95 GLN C C 176.391 . . 1088 480 95 GLN CA C 56.185 . . 1089 480 95 GLN CB C 29.389 . . 1090 480 95 GLN CG C 34.004 . . 1091 480 95 GLN CD C 180.268 . . 1092 480 95 GLN N N 120.474 . . 1093 480 95 GLN NE2 N 111.832 . . 1094 481 96 GLY H H 8.432 . . 1095 481 96 GLY HA2 H 4.061 . . 1096 481 96 GLY HA3 H 3.901 . . 1097 481 96 GLY C C 173.483 . . 1098 481 96 GLY CA C 45.150 . . 1099 481 96 GLY N N 109.316 . . 1100 482 97 SER H H 8.136 . . 1101 482 97 SER HA H 4.809 . . 1102 482 97 SER HB2 H 3.897 . . 1103 482 97 SER HB3 H 3.897 . . 1104 482 97 SER CA C 56.710 . . 1105 482 97 SER CB C 63.840 . . 1106 482 97 SER N N 116.049 . . 1107 483 98 PRO HA H 4.457 . . 1108 483 98 PRO HB2 H 2.043 . . 1109 483 98 PRO HB3 H 2.347 . . 1110 483 98 PRO HG2 H 2.045 . . 1111 483 98 PRO HG3 H 2.045 . . 1112 483 98 PRO HD2 H 3.785 . . 1113 483 98 PRO HD3 H 3.822 . . 1114 483 98 PRO C C 176.685 . . 1115 483 98 PRO CA C 64.404 . . 1116 483 98 PRO CB C 31.819 . . 1117 483 98 PRO CG C 27.421 . . 1118 483 98 PRO CD C 50.835 . . 1119 484 99 ASP H H 8.215 . . 1120 484 99 ASP HA H 4.684 . . 1121 484 99 ASP HB2 H 2.749 . . 1122 484 99 ASP HB3 H 2.853 . . 1123 484 99 ASP C C 176.477 . . 1124 484 99 ASP CA C 54.486 . . 1125 484 99 ASP CB C 40.090 . . 1126 484 99 ASP N N 116.015 . . 1127 485 100 CYS H H 7.875 . . 1128 485 100 CYS HA H 4.764 . . 1129 485 100 CYS HB2 H 2.890 . . 1130 485 100 CYS HB3 H 3.129 . . 1131 485 100 CYS C C 172.623 . . 1132 485 100 CYS CA C 58.736 . . 1133 485 100 CYS CB C 28.711 . . 1134 485 100 CYS N N 114.917 . . 1135 486 101 VAL H H 7.775 . . 1136 486 101 VAL HA H 4.885 . . 1137 486 101 VAL HB H 2.243 . . 1138 486 101 VAL HG1 H 0.863 . . 1139 486 101 VAL HG2 H 0.953 . . 1140 486 101 VAL C C 174.671 . . 1141 486 101 VAL CA C 62.191 . . 1142 486 101 VAL CB C 31.878 . . 1143 486 101 VAL CG1 C 21.669 . . 1144 486 101 VAL CG2 C 22.147 . . 1145 486 101 VAL N N 122.703 . . 1146 487 102 ILE H H 9.441 . . 1147 487 102 ILE HA H 5.020 . . 1148 487 102 ILE HB H 2.173 . . 1149 487 102 ILE HG12 H 1.298 . . 1150 487 102 ILE HG13 H 1.366 . . 1151 487 102 ILE HG2 H 0.900 . . 1152 487 102 ILE HD1 H 0.553 . . 1153 487 102 ILE CA C 56.763 . . 1154 487 102 ILE CB C 40.430 . . 1155 487 102 ILE CG1 C 26.549 . . 1156 487 102 ILE CG2 C 16.977 . . 1157 487 102 ILE CD1 C 12.485 . . 1158 487 102 ILE N N 127.073 . . 1159 488 103 PRO HA H 4.798 . . 1160 488 103 PRO HB2 H 1.990 . . 1161 488 103 PRO HB3 H 2.330 . . 1162 488 103 PRO HG2 H 1.792 . . 1163 488 103 PRO HG3 H 2.149 . . 1164 488 103 PRO HD2 H 3.973 . . 1165 488 103 PRO HD3 H 4.323 . . 1166 488 103 PRO C C 174.156 . . 1167 488 103 PRO CA C 62.663 . . 1168 488 103 PRO CB C 32.733 . . 1169 488 103 PRO CG C 29.616 . . 1170 488 103 PRO CD C 50.802 . . 1171 489 104 PHE H H 9.412 . . 1172 489 104 PHE HA H 5.295 . . 1173 489 104 PHE HB2 H 2.611 . . 1174 489 104 PHE HB3 H 3.332 . . 1175 489 104 PHE HD1 H 6.841 . . 1176 489 104 PHE HD2 H 6.841 . . 1177 489 104 PHE HE1 H 7.138 . . 1178 489 104 PHE HE2 H 7.138 . . 1179 489 104 PHE HZ H 6.990 . . 1180 489 104 PHE C C 173.121 . . 1181 489 104 PHE CA C 55.966 . . 1182 489 104 PHE CB C 44.840 . . 1183 489 104 PHE CD2 C 130.951 . . 1184 489 104 PHE CE2 C 130.927 . . 1185 489 104 PHE CZ C 129.565 . . 1186 489 104 PHE N N 128.443 . . 1187 490 105 LEU H H 8.632 . . 1188 490 105 LEU HA H 5.329 . . 1189 490 105 LEU HB2 H 1.237 . . 1190 490 105 LEU HB3 H 2.113 . . 1191 490 105 LEU HG H 1.555 . . 1192 490 105 LEU HD1 H 0.843 . . 1193 490 105 LEU HD2 H 0.906 . . 1194 490 105 LEU C C 172.959 . . 1195 490 105 LEU CA C 50.978 . . 1196 490 105 LEU CB C 43.677 . . 1197 490 105 LEU CG C 27.713 . . 1198 490 105 LEU CD1 C 26.084 . . 1199 490 105 LEU CD2 C 25.824 . . 1200 490 105 LEU N N 131.955 . . 1201 491 106 PRO HA H 5.309 . . 1202 491 106 PRO HB2 H 1.872 . . 1203 491 106 PRO HB3 H 2.646 . . 1204 491 106 PRO HG2 H 1.688 . . 1205 491 106 PRO HG3 H 2.025 . . 1206 491 106 PRO HD2 H 4.229 . . 1207 491 106 PRO HD3 H 4.374 . . 1208 491 106 PRO C C 177.377 . . 1209 491 106 PRO CA C 61.775 . . 1210 491 106 PRO CB C 32.699 . . 1211 491 106 PRO CG C 26.385 . . 1212 491 106 PRO CD C 51.144 . . 1213 492 107 LEU H H 7.964 . . 1214 492 107 LEU HA H 2.917 . . 1215 492 107 LEU HB2 H 1.170 . . 1216 492 107 LEU HB3 H 1.320 . . 1217 492 107 LEU HG H 1.063 . . 1218 492 107 LEU HD1 H 0.355 . . 1219 492 107 LEU HD2 H 0.641 . . 1220 492 107 LEU C C 178.113 . . 1221 492 107 LEU CA C 57.082 . . 1222 492 107 LEU CB C 42.076 . . 1223 492 107 LEU CG C 26.735 . . 1224 492 107 LEU CD1 C 22.056 . . 1225 492 107 LEU CD2 C 25.085 . . 1226 492 107 LEU N N 118.486 . . 1227 493 108 GLU H H 10.158 . . 1228 493 108 GLU HA H 3.953 . . 1229 493 108 GLU HB2 H 1.817 . . 1230 493 108 GLU HB3 H 2.171 . . 1231 493 108 GLU HG2 H 2.276 . . 1232 493 108 GLU HG3 H 2.558 . . 1233 493 108 GLU C C 177.226 . . 1234 493 108 GLU CA C 59.863 . . 1235 493 108 GLU CB C 29.576 . . 1236 493 108 GLU CG C 37.724 . . 1237 493 108 GLU N N 115.754 . . 1238 494 109 SER H H 8.004 . . 1239 494 109 SER HA H 4.887 . . 1240 494 109 SER HB2 H 3.820 . . 1241 494 109 SER HB3 H 3.896 . . 1242 494 109 SER C C 172.574 . . 1243 494 109 SER CA C 56.566 . . 1244 494 109 SER CB C 65.456 . . 1245 494 109 SER N N 114.896 . . 1246 495 110 SER H H 8.408 . . 1247 495 110 SER HA H 4.900 . . 1248 495 110 SER HB2 H 3.785 . . 1249 495 110 SER HB3 H 4.026 . . 1250 495 110 SER CA C 55.233 . . 1251 495 110 SER CB C 64.160 . . 1252 495 110 SER N N 116.610 . . 1253 496 111 PRO HA H 4.085 . . 1254 496 111 PRO HB2 H 1.925 . . 1255 496 111 PRO HB3 H 2.227 . . 1256 496 111 PRO HG2 H 1.717 . . 1257 496 111 PRO HG3 H 2.021 . . 1258 496 111 PRO HD2 H 3.576 . . 1259 496 111 PRO HD3 H 3.789 . . 1260 496 111 PRO C C 177.827 . . 1261 496 111 PRO CA C 65.064 . . 1262 496 111 PRO CB C 31.532 . . 1263 496 111 PRO CG C 27.530 . . 1264 496 111 PRO CD C 50.792 . . 1265 497 112 ALA H H 7.847 . . 1266 497 112 ALA HA H 4.222 . . 1267 497 112 ALA HB H 1.373 . . 1268 497 112 ALA C C 178.406 . . 1269 497 112 ALA CA C 53.478 . . 1270 497 112 ALA CB C 18.556 . . 1271 497 112 ALA N N 118.439 . . 1272 498 113 GLN H H 7.731 . . 1273 498 113 GLN HA H 4.253 . . 1274 498 113 GLN HB2 H 2.158 . . 1275 498 113 GLN HB3 H 2.256 . . 1276 498 113 GLN HG2 H 2.383 . . 1277 498 113 GLN HG3 H 2.462 . . 1278 498 113 GLN HE21 H 7.605 . . 1279 498 113 GLN HE22 H 6.981 . . 1280 498 113 GLN C C 176.017 . . 1281 498 113 GLN CA C 56.201 . . 1282 498 113 GLN CB C 29.422 . . 1283 498 113 GLN CG C 34.555 . . 1284 498 113 GLN CD C 180.193 . . 1285 498 113 GLN N N 115.038 . . 1286 498 113 GLN NE2 N 112.107 . . 1287 499 114 LEU H H 7.309 . . 1288 499 114 LEU HA H 4.456 . . 1289 499 114 LEU HB2 H 1.577 . . 1290 499 114 LEU HB3 H 1.777 . . 1291 499 114 LEU HG H 1.789 . . 1292 499 114 LEU HD1 H 0.727 . . 1293 499 114 LEU HD2 H 0.883 . . 1294 499 114 LEU C C 176.893 . . 1295 499 114 LEU CA C 53.915 . . 1296 499 114 LEU CB C 41.798 . . 1297 499 114 LEU CG C 26.823 . . 1298 499 114 LEU CD1 C 22.741 . . 1299 499 114 LEU CD2 C 25.533 . . 1300 499 114 LEU N N 118.979 . . 1301 500 115 SER H H 8.594 . . 1302 500 115 SER HA H 4.476 . . 1303 500 115 SER HB2 H 4.079 . . 1304 500 115 SER HB3 H 4.298 . . 1305 500 115 SER C C 176.276 . . 1306 500 115 SER CA C 58.151 . . 1307 500 115 SER CB C 64.215 . . 1308 500 115 SER N N 117.969 . . 1309 501 116 SER H H 9.124 . . 1310 501 116 SER HA H 4.262 . . 1311 501 116 SER HB2 H 4.007 . . 1312 501 116 SER HB3 H 4.007 . . 1313 501 116 SER C C 176.280 . . 1314 501 116 SER CA C 61.372 . . 1315 501 116 SER CB C 62.704 . . 1316 501 116 SER N N 119.474 . . 1317 502 117 ASP H H 8.519 . . 1318 502 117 ASP HA H 4.545 . . 1319 502 117 ASP HB2 H 2.681 . . 1320 502 117 ASP HB3 H 2.751 . . 1321 502 117 ASP C C 177.585 . . 1322 502 117 ASP CA C 56.055 . . 1323 502 117 ASP CB C 40.505 . . 1324 502 117 ASP N N 120.361 . . 1325 503 118 THR H H 7.943 . . 1326 503 118 THR HA H 3.865 . . 1327 503 118 THR HB H 4.295 . . 1328 503 118 THR HG2 H 1.326 . . 1329 503 118 THR C C 175.374 . . 1330 503 118 THR CA C 66.725 . . 1331 503 118 THR CB C 68.424 . . 1332 503 118 THR CG2 C 22.977 . . 1333 503 118 THR N N 116.891 . . 1334 504 119 ALA H H 8.339 . . 1335 504 119 ALA HA H 3.913 . . 1336 504 119 ALA HB H 1.456 . . 1337 504 119 ALA C C 180.589 . . 1338 504 119 ALA CA C 55.519 . . 1339 504 119 ALA CB C 17.798 . . 1340 504 119 ALA N N 122.073 . . 1341 505 120 SER H H 8.028 . . 1342 505 120 SER HA H 4.264 . . 1343 505 120 SER HB2 H 3.999 . . 1344 505 120 SER HB3 H 3.999 . . 1345 505 120 SER C C 177.262 . . 1346 505 120 SER CA C 61.102 . . 1347 505 120 SER CB C 62.834 . . 1348 505 120 SER N N 112.529 . . 1349 506 121 LEU H H 7.914 . . 1350 506 121 LEU HA H 4.179 . . 1351 506 121 LEU HB2 H 1.554 . . 1352 506 121 LEU HB3 H 1.916 . . 1353 506 121 LEU HG H 1.789 . . 1354 506 121 LEU HD1 H 0.874 . . 1355 506 121 LEU HD2 H 0.891 . . 1356 506 121 LEU C C 178.247 . . 1357 506 121 LEU CA C 57.170 . . 1358 506 121 LEU CB C 42.410 . . 1359 506 121 LEU CG C 26.559 . . 1360 506 121 LEU CD1 C 25.568 . . 1361 506 121 LEU CD2 C 23.762 . . 1362 506 121 LEU N N 122.315 . . 1363 507 122 LEU H H 7.535 . . 1364 507 122 LEU HA H 4.388 . . 1365 507 122 LEU HB2 H 1.700 . . 1366 507 122 LEU HB3 H 1.799 . . 1367 507 122 LEU HG H 2.001 . . 1368 507 122 LEU HD1 H 0.771 . . 1369 507 122 LEU HD2 H 0.887 . . 1370 507 122 LEU C C 176.983 . . 1371 507 122 LEU CA C 53.773 . . 1372 507 122 LEU CB C 41.377 . . 1373 507 122 LEU CG C 25.940 . . 1374 507 122 LEU CD1 C 22.415 . . 1375 507 122 LEU CD2 C 26.607 . . 1376 507 122 LEU N N 113.786 . . 1377 508 123 SER H H 7.294 . . 1378 508 123 SER HA H 4.172 . . 1379 508 123 SER HB2 H 4.007 . . 1380 508 123 SER HB3 H 4.007 . . 1381 508 123 SER C C 175.612 . . 1382 508 123 SER CA C 60.682 . . 1383 508 123 SER CB C 63.232 . . 1384 508 123 SER N N 114.943 . . 1385 509 124 GLY H H 8.852 . . 1386 509 124 GLY HA2 H 4.089 . . 1387 509 124 GLY HA3 H 3.939 . . 1388 509 124 GLY C C 173.877 . . 1389 509 124 GLY CA C 45.151 . . 1390 509 124 GLY N N 112.678 . . 1391 510 125 LEU H H 7.665 . . 1392 510 125 LEU HA H 4.765 . . 1393 510 125 LEU HB2 H 1.558 . . 1394 510 125 LEU HB3 H 1.765 . . 1395 510 125 LEU HG H 1.637 . . 1396 510 125 LEU HD1 H 0.904 . . 1397 510 125 LEU HD2 H 0.987 . . 1398 510 125 LEU C C 177.267 . . 1399 510 125 LEU CA C 53.729 . . 1400 510 125 LEU CB C 42.739 . . 1401 510 125 LEU CG C 27.043 . . 1402 510 125 LEU CD1 C 25.800 . . 1403 510 125 LEU CD2 C 22.405 . . 1404 510 125 LEU N N 119.823 . . 1405 511 126 VAL H H 8.984 . . 1406 511 126 VAL HA H 3.855 . . 1407 511 126 VAL HB H 2.055 . . 1408 511 126 VAL HG1 H 0.834 . . 1409 511 126 VAL HG2 H 1.013 . . 1410 511 126 VAL C C 174.073 . . 1411 511 126 VAL CA C 63.436 . . 1412 511 126 VAL CB C 31.604 . . 1413 511 126 VAL CG1 C 21.091 . . 1414 511 126 VAL CG2 C 21.446 . . 1415 511 126 VAL N N 125.049 . . 1416 512 127 ARG H H 8.019 . . 1417 512 127 ARG HA H 4.843 . . 1418 512 127 ARG HB2 H 1.678 . . 1419 512 127 ARG HB3 H 1.747 . . 1420 512 127 ARG HG2 H 1.392 . . 1421 512 127 ARG HG3 H 1.624 . . 1422 512 127 ARG HD2 H 3.101 . . 1423 512 127 ARG HD3 H 3.101 . . 1424 512 127 ARG HE H 7.514 . . 1425 512 127 ARG HH11 H 6.884 . . 1426 512 127 ARG HH12 H 6.767 . . 1427 512 127 ARG HH21 H 6.767 . . 1428 512 127 ARG HH22 H 6.884 . . 1429 512 127 ARG C C 176.203 . . 1430 512 127 ARG CA C 54.550 . . 1431 512 127 ARG CB C 32.540 . . 1432 512 127 ARG CG C 26.782 . . 1433 512 127 ARG CD C 43.903 . . 1434 512 127 ARG CZ C 160.125 . . 1435 512 127 ARG N N 122.701 . . 1436 512 127 ARG NE N 83.816 . . 1437 513 128 LEU H H 8.517 . . 1438 513 128 LEU HA H 4.516 . . 1439 513 128 LEU HB2 H 1.171 . . 1440 513 128 LEU HB3 H 1.548 . . 1441 513 128 LEU HG H 1.488 . . 1442 513 128 LEU HD1 H 0.728 . . 1443 513 128 LEU HD2 H 0.898 . . 1444 513 128 LEU C C 173.815 . . 1445 513 128 LEU CA C 53.633 . . 1446 513 128 LEU CB C 44.462 . . 1447 513 128 LEU CG C 27.014 . . 1448 513 128 LEU CD1 C 23.952 . . 1449 513 128 LEU CD2 C 25.402 . . 1450 513 128 LEU N N 123.391 . . 1451 514 129 ASP H H 8.688 . . 1452 514 129 ASP HA H 4.848 . . 1453 514 129 ASP HB2 H 2.363 . . 1454 514 129 ASP HB3 H 2.866 . . 1455 514 129 ASP C C 176.629 . . 1456 514 129 ASP CA C 52.123 . . 1457 514 129 ASP CB C 41.785 . . 1458 514 129 ASP N N 122.790 . . 1459 515 130 GLU H H 8.598 . . 1460 515 130 GLU HA H 2.750 . . 1461 515 130 GLU HB2 H 1.388 . . 1462 515 130 GLU HB3 H 1.388 . . 1463 515 130 GLU HG2 H 1.080 . . 1464 515 130 GLU HG3 H 1.788 . . 1465 515 130 GLU C C 176.209 . . 1466 515 130 GLU CA C 56.896 . . 1467 515 130 GLU CB C 30.960 . . 1468 515 130 GLU CG C 36.705 . . 1469 515 130 GLU N N 128.436 . . 1470 516 131 HIS H H 8.553 . . 1471 516 131 HIS HA H 4.081 . . 1472 516 131 HIS HB2 H 3.168 . . 1473 516 131 HIS HB3 H 3.306 . . 1474 516 131 HIS HD2 H 7.361 . . 1475 516 131 HIS HE1 H 8.520 . . 1476 516 131 HIS C C 175.565 . . 1477 516 131 HIS CA C 56.858 . . 1478 516 131 HIS CB C 27.897 . . 1479 516 131 HIS CD2 C 120.187 . . 1480 516 131 HIS CE1 C 136.587 . . 1481 516 131 HIS N N 110.701 . . 1482 517 132 SER H H 7.512 . . 1483 517 132 SER HA H 4.308 . . 1484 517 132 SER HB2 H 3.815 . . 1485 517 132 SER HB3 H 4.137 . . 1486 517 132 SER C C 177.157 . . 1487 517 132 SER CA C 58.186 . . 1488 517 132 SER CB C 63.986 . . 1489 517 132 SER N N 112.045 . . 1490 518 133 GLN H H 9.310 . . 1491 518 133 GLN HA H 4.297 . . 1492 518 133 GLN HB2 H 2.163 . . 1493 518 133 GLN HB3 H 2.258 . . 1494 518 133 GLN HG2 H 2.562 . . 1495 518 133 GLN HG3 H 2.562 . . 1496 518 133 GLN HE21 H 7.618 . . 1497 518 133 GLN HE22 H 6.938 . . 1498 518 133 GLN C C 177.235 . . 1499 518 133 GLN CA C 58.422 . . 1500 518 133 GLN CB C 28.735 . . 1501 518 133 GLN CG C 34.172 . . 1502 518 133 GLN CD C 180.255 . . 1503 518 133 GLN N N 127.884 . . 1504 518 133 GLN NE2 N 112.371 . . 1505 519 134 ILE H H 7.921 . . 1506 519 134 ILE HA H 4.798 . . 1507 519 134 ILE HB H 2.181 . . 1508 519 134 ILE HG12 H 1.095 . . 1509 519 134 ILE HG13 H 1.326 . . 1510 519 134 ILE HG2 H 0.938 . . 1511 519 134 ILE HD1 H 0.892 . . 1512 519 134 ILE C C 175.253 . . 1513 519 134 ILE CA C 60.200 . . 1514 519 134 ILE CB C 38.015 . . 1515 519 134 ILE CG1 C 26.908 . . 1516 519 134 ILE CG2 C 17.924 . . 1517 519 134 ILE CD1 C 14.686 . . 1518 519 134 ILE N N 111.667 . . 1519 520 135 PHE H H 7.367 . . 1520 520 135 PHE HA H 4.072 . . 1521 520 135 PHE HB2 H 2.926 . . 1522 520 135 PHE HB3 H 3.626 . . 1523 520 135 PHE HD1 H 7.111 . . 1524 520 135 PHE HD2 H 7.111 . . 1525 520 135 PHE HE1 H 6.924 . . 1526 520 135 PHE HE2 H 6.924 . . 1527 520 135 PHE HZ H 7.084 . . 1528 520 135 PHE C C 175.723 . . 1529 520 135 PHE CA C 61.984 . . 1530 520 135 PHE CB C 39.425 . . 1531 520 135 PHE CD2 C 132.637 . . 1532 520 135 PHE CE2 C 130.369 . . 1533 520 135 PHE CZ C 128.316 . . 1534 520 135 PHE N N 121.682 . . 1535 521 136 ALA H H 8.944 . . 1536 521 136 ALA HA H 3.617 . . 1537 521 136 ALA HB H 1.495 . . 1538 521 136 ALA C C 180.586 . . 1539 521 136 ALA CA C 55.880 . . 1540 521 136 ALA CB C 17.752 . . 1541 521 136 ALA N N 118.619 . . 1542 522 137 ARG H H 7.688 . . 1543 522 137 ARG HA H 4.070 . . 1544 522 137 ARG HB2 H 1.947 . . 1545 522 137 ARG HB3 H 1.947 . . 1546 522 137 ARG HG2 H 1.707 . . 1547 522 137 ARG HG3 H 1.707 . . 1548 522 137 ARG HD2 H 3.198 . . 1549 522 137 ARG HD3 H 3.235 . . 1550 522 137 ARG HE H 7.251 . . 1551 522 137 ARG C C 178.525 . . 1552 522 137 ARG CA C 58.514 . . 1553 522 137 ARG CB C 29.929 . . 1554 522 137 ARG CG C 26.707 . . 1555 522 137 ARG CD C 43.532 . . 1556 522 137 ARG CZ C 159.721 . . 1557 522 137 ARG N N 119.417 . . 1558 522 137 ARG NE N 84.051 . . 1559 523 138 LYS H H 8.144 . . 1560 523 138 LYS HA H 3.998 . . 1561 523 138 LYS HB2 H 1.652 . . 1562 523 138 LYS HB3 H 1.859 . . 1563 523 138 LYS HG2 H 1.365 . . 1564 523 138 LYS HG3 H 1.497 . . 1565 523 138 LYS HD2 H 1.643 . . 1566 523 138 LYS HD3 H 1.684 . . 1567 523 138 LYS HE2 H 2.888 . . 1568 523 138 LYS HE3 H 2.965 . . 1569 523 138 LYS C C 180.766 . . 1570 523 138 LYS CA C 59.113 . . 1571 523 138 LYS CB C 31.681 . . 1572 523 138 LYS CG C 25.188 . . 1573 523 138 LYS CD C 28.871 . . 1574 523 138 LYS CE C 42.151 . . 1575 523 138 LYS N N 120.201 . . 1576 524 139 VAL H H 8.499 . . 1577 524 139 VAL HA H 3.206 . . 1578 524 139 VAL HB H 1.910 . . 1579 524 139 VAL HG1 H 0.135 . . 1580 524 139 VAL HG2 H 0.728 . . 1581 524 139 VAL C C 177.447 . . 1582 524 139 VAL CA C 67.707 . . 1583 524 139 VAL CB C 31.564 . . 1584 524 139 VAL CG1 C 24.315 . . 1585 524 139 VAL CG2 C 21.433 . . 1586 524 139 VAL N N 122.946 . . 1587 525 140 ALA H H 7.531 . . 1588 525 140 ALA HA H 4.059 . . 1589 525 140 ALA HB H 1.505 . . 1590 525 140 ALA C C 179.495 . . 1591 525 140 ALA CA C 54.805 . . 1592 525 140 ALA CB C 17.868 . . 1593 525 140 ALA N N 121.366 . . 1594 526 141 ASN H H 7.811 . . 1595 526 141 ASN HA H 4.485 . . 1596 526 141 ASN HB2 H 2.787 . . 1597 526 141 ASN HB3 H 2.787 . . 1598 526 141 ASN HD21 H 7.633 . . 1599 526 141 ASN HD22 H 6.948 . . 1600 526 141 ASN C C 176.029 . . 1601 526 141 ASN CA C 54.791 . . 1602 526 141 ASN CB C 39.349 . . 1603 526 141 ASN CG C 176.356 . . 1604 526 141 ASN N N 112.552 . . 1605 526 141 ASN ND2 N 112.256 . . 1606 527 142 THR H H 7.710 . . 1607 527 142 THR HA H 3.811 . . 1608 527 142 THR HB H 3.527 . . 1609 527 142 THR HG2 H 0.148 . . 1610 527 142 THR C C 174.620 . . 1611 527 142 THR CA C 65.862 . . 1612 527 142 THR CB C 69.388 . . 1613 527 142 THR CG2 C 20.119 . . 1614 527 142 THR N N 116.217 . . 1615 528 143 PHE H H 7.733 . . 1616 528 143 PHE HA H 4.222 . . 1617 528 143 PHE HB2 H 2.680 . . 1618 528 143 PHE HB3 H 2.956 . . 1619 528 143 PHE HD1 H 6.984 . . 1620 528 143 PHE HD2 H 6.984 . . 1621 528 143 PHE HE1 H 6.712 . . 1622 528 143 PHE HE2 H 6.712 . . 1623 528 143 PHE HZ H 6.565 . . 1624 528 143 PHE C C 174.476 . . 1625 528 143 PHE CA C 56.401 . . 1626 528 143 PHE CB C 37.728 . . 1627 528 143 PHE CD1 C 132.378 . . 1628 528 143 PHE CE1 C 129.516 . . 1629 528 143 PHE CZ C 127.699 . . 1630 528 143 PHE N N 119.741 . . 1631 529 144 LYS H H 7.092 . . 1632 529 144 LYS HA H 4.604 . . 1633 529 144 LYS HB2 H 1.677 . . 1634 529 144 LYS HB3 H 1.988 . . 1635 529 144 LYS HG2 H 1.592 . . 1636 529 144 LYS HG3 H 1.592 . . 1637 529 144 LYS HD2 H 1.793 . . 1638 529 144 LYS HD3 H 1.887 . . 1639 529 144 LYS HE2 H 3.168 . . 1640 529 144 LYS HE3 H 3.168 . . 1641 529 144 LYS C C 176.161 . . 1642 529 144 LYS CA C 54.778 . . 1643 529 144 LYS CB C 32.836 . . 1644 529 144 LYS CG C 25.163 . . 1645 529 144 LYS CD C 29.730 . . 1646 529 144 LYS CE C 42.308 . . 1647 529 144 LYS N N 119.379 . . 1648 530 145 PRO HA H 4.332 . . 1649 530 145 PRO HB2 H 2.082 . . 1650 530 145 PRO HB3 H 2.503 . . 1651 530 145 PRO HG2 H 2.201 . . 1652 530 145 PRO HG3 H 2.275 . . 1653 530 145 PRO HD2 H 3.931 . . 1654 530 145 PRO HD3 H 4.214 . . 1655 530 145 PRO C C 178.716 . . 1656 530 145 PRO CA C 66.015 . . 1657 530 145 PRO CB C 32.163 . . 1658 530 145 PRO CG C 27.668 . . 1659 530 145 PRO CD C 51.074 . . 1660 531 146 HIS H H 8.886 . . 1661 531 146 HIS HA H 4.511 . . 1662 531 146 HIS HB2 H 3.203 . . 1663 531 146 HIS HB3 H 3.330 . . 1664 531 146 HIS HD2 H 7.211 . . 1665 531 146 HIS HE1 H 8.176 . . 1666 531 146 HIS C C 177.418 . . 1667 531 146 HIS CA C 58.915 . . 1668 531 146 HIS CB C 28.954 . . 1669 531 146 HIS CD2 C 119.380 . . 1670 531 146 HIS CE1 C 137.778 . . 1671 531 146 HIS N N 114.389 . . 1672 532 147 ARG H H 7.484 . . 1673 532 147 ARG HA H 4.275 . . 1674 532 147 ARG HB2 H 2.110 . . 1675 532 147 ARG HB3 H 2.110 . . 1676 532 147 ARG HG2 H 1.633 . . 1677 532 147 ARG HG3 H 1.701 . . 1678 532 147 ARG HD2 H 3.339 . . 1679 532 147 ARG HD3 H 3.339 . . 1680 532 147 ARG HE H 7.436 . . 1681 532 147 ARG C C 178.359 . . 1682 532 147 ARG CA C 57.885 . . 1683 532 147 ARG CB C 30.175 . . 1684 532 147 ARG CG C 27.230 . . 1685 532 147 ARG CD C 43.162 . . 1686 532 147 ARG CZ C 159.810 . . 1687 532 147 ARG N N 120.008 . . 1688 532 147 ARG NE N 84.069 . . 1689 533 148 LEU H H 7.914 . . 1690 533 148 LEU HA H 4.155 . . 1691 533 148 LEU HB2 H 1.756 . . 1692 533 148 LEU HB3 H 2.032 . . 1693 533 148 LEU HG H 1.890 . . 1694 533 148 LEU HD1 H 1.021 . . 1695 533 148 LEU HD2 H 1.185 . . 1696 533 148 LEU C C 179.339 . . 1697 533 148 LEU CA C 57.764 . . 1698 533 148 LEU CB C 40.910 . . 1699 533 148 LEU CG C 26.537 . . 1700 533 148 LEU CD1 C 25.352 . . 1701 533 148 LEU CD2 C 23.271 . . 1702 533 148 LEU N N 119.739 . . 1703 534 149 GLN H H 8.500 . . 1704 534 149 GLN HA H 4.063 . . 1705 534 149 GLN HB2 H 2.131 . . 1706 534 149 GLN HB3 H 2.131 . . 1707 534 149 GLN HG2 H 2.475 . . 1708 534 149 GLN HG3 H 2.539 . . 1709 534 149 GLN HE21 H 7.498 . . 1710 534 149 GLN HE22 H 6.909 . . 1711 534 149 GLN C C 178.342 . . 1712 534 149 GLN CA C 58.353 . . 1713 534 149 GLN CB C 28.372 . . 1714 534 149 GLN CG C 33.683 . . 1715 534 149 GLN CD C 180.007 . . 1716 534 149 GLN N N 118.297 . . 1717 534 149 GLN NE2 N 111.265 . . 1718 535 150 ALA H H 7.927 . . 1719 535 150 ALA HA H 4.228 . . 1720 535 150 ALA HB H 1.527 . . 1721 535 150 ALA C C 180.402 . . 1722 535 150 ALA CA C 54.676 . . 1723 535 150 ALA CB C 18.251 . . 1724 535 150 ALA N N 122.656 . . 1725 536 151 ARG H H 7.999 . . 1726 536 151 ARG HA H 4.222 . . 1727 536 151 ARG HB2 H 2.025 . . 1728 536 151 ARG HB3 H 2.025 . . 1729 536 151 ARG HG2 H 1.829 . . 1730 536 151 ARG HG3 H 1.829 . . 1731 536 151 ARG HD2 H 3.233 . . 1732 536 151 ARG HD3 H 3.233 . . 1733 536 151 ARG HE H 7.471 . . 1734 536 151 ARG HH11 H 6.788 . . 1735 536 151 ARG HH22 H 6.788 . . 1736 536 151 ARG C C 178.212 . . 1737 536 151 ARG CA C 57.615 . . 1738 536 151 ARG CB C 28.892 . . 1739 536 151 ARG CG C 27.293 . . 1740 536 151 ARG CD C 42.329 . . 1741 536 151 ARG CZ C 159.778 . . 1742 536 151 ARG N N 118.026 . . 1743 536 151 ARG NE N 84.133 . . 1744 537 152 LYS H H 8.030 . . 1745 537 152 LYS HA H 3.203 . . 1746 537 152 LYS HB2 H 1.605 . . 1747 537 152 LYS HB3 H 1.738 . . 1748 537 152 LYS HG2 H 0.853 . . 1749 537 152 LYS HG3 H 1.226 . . 1750 537 152 LYS HD2 H 1.607 . . 1751 537 152 LYS HD3 H 1.607 . . 1752 537 152 LYS HE2 H 2.882 . . 1753 537 152 LYS HE3 H 2.920 . . 1754 537 152 LYS C C 177.673 . . 1755 537 152 LYS CA C 58.975 . . 1756 537 152 LYS CB C 32.123 . . 1757 537 152 LYS CG C 25.288 . . 1758 537 152 LYS CD C 29.492 . . 1759 537 152 LYS CE C 42.251 . . 1760 537 152 LYS N N 121.601 . . 1761 538 153 ALA H H 8.129 . . 1762 538 153 ALA HA H 4.118 . . 1763 538 153 ALA HB H 1.468 . . 1764 538 153 ALA C C 180.306 . . 1765 538 153 ALA CA C 54.621 . . 1766 538 153 ALA CB C 18.087 . . 1767 538 153 ALA N N 121.203 . . 1768 539 154 MET H H 7.821 . . 1769 539 154 MET HA H 4.247 . . 1770 539 154 MET HB2 H 2.186 . . 1771 539 154 MET HB3 H 2.186 . . 1772 539 154 MET HG2 H 2.637 . . 1773 539 154 MET HG3 H 2.730 . . 1774 539 154 MET HE H 2.113 . . 1775 539 154 MET C C 177.675 . . 1776 539 154 MET CA C 57.837 . . 1777 539 154 MET CB C 32.607 . . 1778 539 154 MET CG C 32.190 . . 1779 539 154 MET CE C 17.127 . . 1780 539 154 MET N N 117.981 . . 1781 540 155 TRP H H 7.884 . . 1782 540 155 TRP HA H 4.392 . . 1783 540 155 TRP HB2 H 3.155 . . 1784 540 155 TRP HB3 H 3.155 . . 1785 540 155 TRP HD1 H 7.313 . . 1786 540 155 TRP HE1 H 9.923 . . 1787 540 155 TRP HE3 H 7.392 . . 1788 540 155 TRP HZ2 H 7.216 . . 1789 540 155 TRP HZ3 H 6.945 . . 1790 540 155 TRP HH2 H 7.048 . . 1791 540 155 TRP C C 177.624 . . 1792 540 155 TRP CA C 60.142 . . 1793 540 155 TRP CB C 28.595 . . 1794 540 155 TRP CD1 C 126.897 . . 1795 540 155 TRP CE3 C 120.741 . . 1796 540 155 TRP CZ2 C 114.094 . . 1797 540 155 TRP CZ3 C 121.370 . . 1798 540 155 TRP CH2 C 124.156 . . 1799 540 155 TRP N N 122.038 . . 1800 540 155 TRP NE1 N 129.135 . . 1801 541 156 ARG H H 8.418 . . 1802 541 156 ARG HA H 3.493 . . 1803 541 156 ARG HB2 H 1.819 . . 1804 541 156 ARG HB3 H 1.819 . . 1805 541 156 ARG HG2 H 1.604 . . 1806 541 156 ARG HG3 H 1.672 . . 1807 541 156 ARG HD2 H 3.099 . . 1808 541 156 ARG HD3 H 3.145 . . 1809 541 156 ARG HE H 7.303 . . 1810 541 156 ARG C C 177.930 . . 1811 541 156 ARG CA C 58.114 . . 1812 541 156 ARG CB C 30.185 . . 1813 541 156 ARG CG C 27.223 . . 1814 541 156 ARG CD C 43.239 . . 1815 541 156 ARG CZ C 159.639 . . 1816 541 156 ARG N N 119.798 . . 1817 541 156 ARG NE N 84.770 . . 1818 542 157 LYS H H 7.761 . . 1819 542 157 LYS HA H 4.062 . . 1820 542 157 LYS HB2 H 1.887 . . 1821 542 157 LYS HB3 H 1.887 . . 1822 542 157 LYS HG2 H 1.409 . . 1823 542 157 LYS HG3 H 1.514 . . 1824 542 157 LYS HD2 H 1.698 . . 1825 542 157 LYS HD3 H 1.698 . . 1826 542 157 LYS HE2 H 2.975 . . 1827 542 157 LYS HE3 H 2.975 . . 1828 542 157 LYS C C 178.340 . . 1829 542 157 LYS CA C 58.531 . . 1830 542 157 LYS CB C 32.362 . . 1831 542 157 LYS CG C 24.857 . . 1832 542 157 LYS CD C 29.262 . . 1833 542 157 LYS CE C 42.094 . . 1834 542 157 LYS N N 119.514 . . 1835 543 158 GLU H H 7.951 . . 1836 543 158 GLU HA H 4.037 . . 1837 543 158 GLU HB2 H 2.051 . . 1838 543 158 GLU HB3 H 2.051 . . 1839 543 158 GLU HG2 H 2.288 . . 1840 543 158 GLU HG3 H 2.373 . . 1841 543 158 GLU C C 178.129 . . 1842 543 158 GLU CA C 58.090 . . 1843 543 158 GLU CB C 29.169 . . 1844 543 158 GLU CG C 35.684 . . 1845 543 158 GLU N N 119.434 . . 1846 544 159 GLN H H 8.034 . . 1847 544 159 GLN HA H 3.836 . . 1848 544 159 GLN HB2 H 1.664 . . 1849 544 159 GLN HB3 H 1.807 . . 1850 544 159 GLN HG2 H 1.504 . . 1851 544 159 GLN HG3 H 1.720 . . 1852 544 159 GLN HE21 H 6.928 . . 1853 544 159 GLN HE22 H 6.675 . . 1854 544 159 GLN C C 177.303 . . 1855 544 159 GLN CA C 57.026 . . 1856 544 159 GLN CB C 28.677 . . 1857 544 159 GLN CG C 33.121 . . 1858 544 159 GLN CD C 179.860 . . 1859 544 159 GLN N N 118.371 . . 1860 544 159 GLN NE2 N 113.127 . . 1861 545 160 ASP H H 7.999 . . 1862 545 160 ASP HA H 4.441 . . 1863 545 160 ASP HB2 H 2.682 . . 1864 545 160 ASP HB3 H 2.714 . . 1865 545 160 ASP C C 177.614 . . 1866 545 160 ASP CA C 55.659 . . 1867 545 160 ASP CB C 40.669 . . 1868 545 160 ASP N N 119.664 . . 1869 546 161 LEU H H 7.882 . . 1870 546 161 LEU HA H 4.101 . . 1871 546 161 LEU HB2 H 1.527 . . 1872 546 161 LEU HB3 H 1.700 . . 1873 546 161 LEU HG H 1.520 . . 1874 546 161 LEU HD1 H 0.824 . . 1875 546 161 LEU HD2 H 0.846 . . 1876 546 161 LEU C C 178.697 . . 1877 546 161 LEU CA C 56.611 . . 1878 546 161 LEU CB C 42.028 . . 1879 546 161 LEU CG C 26.977 . . 1880 546 161 LEU CD1 C 23.317 . . 1881 546 161 LEU CD2 C 26.040 . . 1882 546 161 LEU N N 120.836 . . 1883 547 162 GLU H H 8.027 . . 1884 547 162 GLU HA H 4.055 . . 1885 547 162 GLU HB2 H 1.875 . . 1886 547 162 GLU HB3 H 1.875 . . 1887 547 162 GLU HG2 H 2.150 . . 1888 547 162 GLU HG3 H 2.238 . . 1889 547 162 GLU C C 177.245 . . 1890 547 162 GLU CA C 57.473 . . 1891 547 162 GLU CB C 29.478 . . 1892 547 162 GLU CG C 35.739 . . 1893 547 162 GLU N N 118.309 . . 1894 548 163 HIS H H 8.042 . . 1895 548 163 HIS HA H 4.539 . . 1896 548 163 HIS HB2 H 3.084 . . 1897 548 163 HIS HB3 H 3.190 . . 1898 548 163 HIS HD2 H 7.178 . . 1899 548 163 HIS C C 174.796 . . 1900 548 163 HIS CA C 55.940 . . 1901 548 163 HIS CB C 28.547 . . 1902 548 163 HIS CD2 C 120.197 . . 1903 548 163 HIS N N 116.181 . . 1904 549 164 HIS H H 8.205 . . 1905 549 164 HIS HA H 4.592 . . 1906 549 164 HIS HB2 H 3.100 . . 1907 549 164 HIS HB3 H 3.195 . . 1908 549 164 HIS HD2 H 7.204 . . 1909 549 164 HIS C C 174.413 . . 1910 549 164 HIS CA C 55.881 . . 1911 549 164 HIS CB C 28.677 . . 1912 549 164 HIS CD2 C 119.958 . . 1913 549 164 HIS N N 117.324 . . 1914 550 165 HIS H H 8.385 . . 1915 550 165 HIS HA H 4.654 . . 1916 550 165 HIS HB2 H 3.102 . . 1917 550 165 HIS HB3 H 3.192 . . 1918 550 165 HIS HD2 H 7.205 . . 1919 550 165 HIS C C 174.278 . . 1920 550 165 HIS CA C 55.422 . . 1921 550 165 HIS CB C 29.128 . . 1922 550 165 HIS CD2 C 119.588 . . 1923 550 165 HIS N N 118.460 . . 1924 551 166 HIS H H 8.492 . . 1925 551 166 HIS HA H 4.648 . . 1926 551 166 HIS HB2 H 3.100 . . 1927 551 166 HIS HB3 H 3.192 . . 1928 551 166 HIS C C 174.070 . . 1929 551 166 HIS CA C 55.524 . . 1930 551 166 HIS CB C 29.322 . . 1931 551 166 HIS N N 119.210 . . 1932 552 167 HIS H H 8.529 . . 1933 552 167 HIS HA H 4.648 . . 1934 552 167 HIS HB2 H 3.193 . . 1935 552 167 HIS HB3 H 3.193 . . 1936 552 167 HIS HD2 H 7.208 . . 1937 552 167 HIS C C 173.536 . . 1938 552 167 HIS CA C 55.562 . . 1939 552 167 HIS CB C 29.484 . . 1940 552 167 HIS CD2 C 119.650 . . 1941 552 167 HIS N N 120.145 . . 1942 553 168 HIS H H 8.329 . . 1943 553 168 HIS HA H 4.454 . . 1944 553 168 HIS HB2 H 3.117 . . 1945 553 168 HIS HB3 H 3.239 . . 1946 553 168 HIS C C 178.843 . . 1947 553 168 HIS CA C 57.106 . . 1948 553 168 HIS CB C 29.761 . . 1949 553 168 HIS N N 125.197 . . stop_ save_