data_16832 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of C-terminal domain from mtTyrRS of A. nidulans ; _BMRB_accession_number 16832 _BMRB_flat_file_name bmr16832.str _Entry_type original _Submission_date 2010-04-02 _Accession_date 2010-04-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'C-terminal domain of mtTyrRS from A. nidulans' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chari Nandini S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 719 "13C chemical shifts" 524 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-03 original author . stop_ _Original_release_date 2012-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the C-terminal domain of the mtTyrRS from A. nidulans' _Citation_status 'in preparation' _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 Hoffman David . . 2 Lambowitz Alan . . 3 Chari Nandini . . 4 Paukstelis Paul . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain from mtTyrRS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mtTyrRS $mtTyrRS 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_mtTyrRS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mtTyrRS _Molecular_mass 17675.309 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MPRTASPGNPKSSLSGFVNP QSGNPHAPQTNFANMPSARV TLPKSLVYDKTFSKVLWSAG LVASKSEGQRIINNNGAYVG SRPGVKKNEPGGGMPDDLTF TPIKTWNASKTQEFIIDGDL LILKLGKWKMKLVSIVSDEK FKELGLTAPGWDEVVGKGKE EPSP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 454 MET 2 455 PRO 3 456 ARG 4 457 THR 5 458 ALA 6 459 SER 7 460 PRO 8 461 GLY 9 462 ASN 10 463 PRO 11 464 LYS 12 465 SER 13 466 SER 14 467 LEU 15 468 SER 16 469 GLY 17 470 PHE 18 471 VAL 19 472 ASN 20 473 PRO 21 474 GLN 22 475 SER 23 476 GLY 24 477 ASN 25 478 PRO 26 479 HIS 27 480 ALA 28 481 PRO 29 482 GLN 30 483 THR 31 484 ASN 32 485 PHE 33 486 ALA 34 487 ASN 35 488 MET 36 489 PRO 37 490 SER 38 491 ALA 39 492 ARG 40 493 VAL 41 494 THR 42 495 LEU 43 496 PRO 44 497 LYS 45 498 SER 46 499 LEU 47 500 VAL 48 501 TYR 49 502 ASP 50 503 LYS 51 504 THR 52 505 PHE 53 506 SER 54 507 LYS 55 508 VAL 56 509 LEU 57 510 TRP 58 511 SER 59 512 ALA 60 513 GLY 61 514 LEU 62 515 VAL 63 516 ALA 64 517 SER 65 518 LYS 66 519 SER 67 520 GLU 68 521 GLY 69 522 GLN 70 523 ARG 71 524 ILE 72 525 ILE 73 526 ASN 74 527 ASN 75 528 ASN 76 529 GLY 77 530 ALA 78 531 TYR 79 532 VAL 80 533 GLY 81 534 SER 82 535 ARG 83 536 PRO 84 537 GLY 85 538 VAL 86 539 LYS 87 540 LYS 88 541 ASN 89 542 GLU 90 543 PRO 91 544 GLY 92 545 GLY 93 546 GLY 94 547 MET 95 548 PRO 96 549 ASP 97 550 ASP 98 551 LEU 99 552 THR 100 553 PHE 101 554 THR 102 555 PRO 103 556 ILE 104 557 LYS 105 558 THR 106 559 TRP 107 560 ASN 108 561 ALA 109 562 SER 110 563 LYS 111 564 THR 112 565 GLN 113 566 GLU 114 567 PHE 115 568 ILE 116 569 ILE 117 570 ASP 118 571 GLY 119 572 ASP 120 573 LEU 121 574 LEU 122 575 ILE 123 576 LEU 124 577 LYS 125 578 LEU 126 579 GLY 127 580 LYS 128 581 TRP 129 582 LYS 130 583 MET 131 584 LYS 132 585 LEU 133 586 VAL 134 587 SER 135 588 ILE 136 589 VAL 137 590 SER 138 591 ASP 139 592 GLU 140 593 LYS 141 594 PHE 142 595 LYS 143 596 GLU 144 597 LEU 145 598 GLY 146 599 LEU 147 600 THR 148 601 ALA 149 602 PRO 150 603 GLY 151 604 TRP 152 605 ASP 153 606 GLU 154 607 VAL 155 608 VAL 156 609 GLY 157 610 LYS 158 611 GLY 159 612 LYS 160 613 GLU 161 614 GLU 162 615 PRO 163 616 SER 164 617 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KTL "Structure Of C-Terminal Domain From Mttyrrs Of A. Nidulans" 100.00 164 100.00 100.00 6.87e-113 GB EAA64829 "hypothetical protein AN1709.2 [Aspergillus nidulans FGSC A4]" 99.39 427 100.00 100.00 2.84e-109 REF XP_659313 "hypothetical protein AN1709.2 [Aspergillus nidulans FGSC A4]" 99.39 427 100.00 100.00 2.84e-109 TPE CBF85411 "TPA: tyrosyl-tRNA synthetase, mitochondrial precursor (tyrosine--tRNA ligase) (tyrrs) (AFU_orthologue; AFUA_4G08320) [Aspergill" 99.39 427 100.00 100.00 2.84e-109 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mtTyrRS 'Aspergillus nidulellus' 162425 Eukaryota Metazoa Emericella nidulans 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 $mtTyrRS 'recombinant technology' . Escherichia coli BL21(DE3) pET11d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mtTyrRS 20 mg '[U-100% 15N]' $mtTyrRS 20 mg '[U-100% 13C]' 'sodium chloride' 500 mM 'natural abundance' TRIS 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 500 mM 'natural abundance' TRIS 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . 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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 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' 500 . mM pH 7.4 . 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 carbon' ppm 0 internal indirect . . . 0.25144953018 DSS H 1 'methyl carbon' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl carbon' ppm 0 internal 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' '2D 1H-1H TOCSY' '2D 1H-1H COSY' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name mtTyrRS _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 1 456 3 ARG C C 175.5 . 1 2 457 4 THR H H 8.26 . 1 3 457 4 THR HA H 4.334 . 1 4 457 4 THR HB H 4.105 . 1 5 457 4 THR C C 173.3 . 1 6 457 4 THR CA C 61.61 . 1 7 457 4 THR CB C 69.95 . 1 8 457 4 THR N N 117.1 . 1 9 458 5 ALA H H 8.392 . 1 10 458 5 ALA HA H 4.379 . 1 11 458 5 ALA HB H 1.372 . . 12 458 5 ALA C C 176.5 . 1 13 458 5 ALA CA C 52.99 . 1 14 458 5 ALA CB C 19.48 . 1 15 458 5 ALA N N 127.3 . 1 16 459 6 SER H H 8.34 . 1 17 459 6 SER HA H 4.76 . 1 18 459 6 SER HB2 H 3.851 . . 19 459 6 SER HB3 H 3.851 . . 20 459 6 SER CA C 56.15 . 1 21 459 6 SER CB C 63.51 . 1 22 459 6 SER N N 117.6 . 1 23 460 7 PRO C C 176.3 . 1 24 460 7 PRO CA C 62.98 . 1 25 460 7 PRO CB C 32 . 1 26 465 12 SER H H 8.15 . 1 27 465 12 SER HA H 4.4 . 1 28 465 12 SER HB2 H 3.8 . . 29 465 12 SER HB3 H 3.8 . . 30 465 12 SER C C 174.3 . 1 31 465 12 SER CA C 58.76 . 1 32 465 12 SER CB C 64.03 . 1 33 465 12 SER N N 117 . 1 34 466 13 SER C C 173.9 . 1 35 466 13 SER CA C 58.95 . 1 36 466 13 SER CB C 63.36 . 1 37 467 14 LEU H H 8.212 . 1 38 467 14 LEU HA H 4.393 . 1 39 467 14 LEU HB2 H 1.638 . . 40 467 14 LEU HB3 H 1.638 . . 41 467 14 LEU HG H 0.9038 . 1 42 467 14 LEU C C 175.1 . 1 43 467 14 LEU CA C 55.45 . 1 44 467 14 LEU CB C 42.33 . 1 45 467 14 LEU CG C 25.06 . 1 46 467 14 LEU N N 124.6 . 1 47 468 15 SER H H 8.176 . 1 48 468 15 SER HA H 4.402 . 1 49 468 15 SER HB2 H 3.87 . 2 50 468 15 SER HB3 H 3.87 . 2 51 468 15 SER C C 174.3 . 1 52 468 15 SER CA C 58.52 . 1 53 468 15 SER CB C 63.95 . 1 54 468 15 SER N N 116.8 . 1 55 469 16 GLY H H 8.27 . 1 56 469 16 GLY HA2 H 3.89 . 2 57 469 16 GLY HA3 H 3.89 . 2 58 469 16 GLY C C 173 . 1 59 469 16 GLY CA C 45.4 . 1 60 469 16 GLY N N 111.3 . 1 61 470 17 PHE H H 7.997 . 1 62 470 17 PHE HA H 4.73 . 1 63 470 17 PHE HB2 H 3.07 . . 64 470 17 PHE HB3 H 2.994 . . 65 470 17 PHE C C 174.7 . 1 66 470 17 PHE CA C 57.83 . 1 67 470 17 PHE CB C 39.86 . 1 68 470 17 PHE N N 120.9 . 1 69 471 18 VAL H H 7.94 . 1 70 471 18 VAL HA H 4.04 . 1 71 471 18 VAL HB H 1.936 . 1 72 471 18 VAL C C 174.4 . 1 73 471 18 VAL CA C 61.9 . 1 74 471 18 VAL CB C 33.11 . 1 75 471 18 VAL N N 123.3 . 1 76 472 19 ASN H H 8.427 . 1 77 472 19 ASN HA H 4.881 . 1 78 472 19 ASN HB2 H 2.68 . . 79 472 19 ASN HB3 H 2.68 . . 80 472 19 ASN CA C 51.28 . 1 81 472 19 ASN CB C 38.92 . 1 82 472 19 ASN N N 124.5 . 1 83 473 20 PRO C C 174.3 . 1 84 473 20 PRO CA C 63.72 . 1 85 473 20 PRO CB C 32.34 . 1 86 474 21 GLN H H 8.346 . 1 87 474 21 GLN HA H 4.356 . 1 88 474 21 GLN HB2 H 1.978 . . 89 474 21 GLN HB3 H 2.13 . . 90 474 21 GLN HG2 H 2.36 . . 91 474 21 GLN HG3 H 2.36 . . 92 474 21 GLN C C 176.2 . 1 93 474 21 GLN CA C 56.17 . 1 94 474 21 GLN CB C 29.26 . 1 95 474 21 GLN N N 120.2 . 1 96 475 22 SER H H 8.15 . 1 97 475 22 SER C C 174.2 . 1 98 475 22 SER CA C 58.6 . 1 99 475 22 SER CB C 63.91 . 1 100 475 22 SER N N 117.3 . 1 101 476 23 GLY H H 8.325 . 1 102 476 23 GLY HA2 H 3.92 . . 103 476 23 GLY HA3 H 4.72 . . 104 476 23 GLY CA C 45.29 . 1 105 476 23 GLY N N 111.4 . 1 106 478 25 PRO C C 176 . 1 107 478 25 PRO CA C 63.79 . 1 108 478 25 PRO CB C 32.15 . 1 109 479 26 HIS H H 8.294 . 1 110 479 26 HIS HA H 4.638 . 1 111 479 26 HIS HB2 H 3.09 . . 112 479 26 HIS HB3 H 3.09 . . 113 479 26 HIS HD1 H 8.121 . 1 114 479 26 HIS HE1 H 7.16 . 1 115 479 26 HIS C C 173.5 . 1 116 479 26 HIS CA C 55.15 . 1 117 479 26 HIS CB C 29.53 . 1 118 479 26 HIS N N 118.7 . 1 119 480 27 ALA H H 8.023 . 1 120 480 27 ALA HA H 4.571 . 1 121 480 27 ALA HB H 1.355 . . 122 480 27 ALA CA C 50.7 . 1 123 480 27 ALA CB C 18.43 . 1 124 480 27 ALA N N 126.8 . 1 125 481 28 PRO C C 179.6 . 1 126 481 28 PRO CA C 64.05 . 1 127 481 28 PRO CB C 32.13 . 1 128 482 29 GLN H H 8.508 . 1 129 482 29 GLN HA H 4.353 . 1 130 482 29 GLN HB2 H 2.004 . . 131 482 29 GLN HB3 H 2.004 . . 132 482 29 GLN HG2 H 2.383 . . 133 482 29 GLN HG3 H 2.383 . . 134 482 29 GLN C C 175.4 . 1 135 482 29 GLN CA C 55.94 . 1 136 482 29 GLN CB C 29.45 . 1 137 482 29 GLN N N 121.3 . 1 138 483 30 THR H H 8.1 . 1 139 483 30 THR HA H 4.283 . 1 140 483 30 THR HB H 4.07 . 1 141 483 30 THR C C 176.5 . 1 142 483 30 THR CA C 61.9 . 1 143 483 30 THR CB C 69.79 . 1 144 483 30 THR N N 115.9 . 1 145 484 31 ASN H H 8.318 . 1 146 484 31 ASN HA H 4.679 . 1 147 484 31 ASN HB2 H 2.75 . . 148 484 31 ASN HB3 H 2.75 . . 149 484 31 ASN C C 175.2 . 1 150 484 31 ASN CA C 53.15 . 1 151 484 31 ASN CB C 38.92 . 1 152 484 31 ASN N N 121.8 . 1 153 485 32 PHE H H 8.232 . 1 154 485 32 PHE HA H 4.52 . 1 155 485 32 PHE HB2 H 2.997 . . 156 485 32 PHE HB3 H 2.997 . . 157 485 32 PHE C C 175.1 . 1 158 485 32 PHE CA C 58.55 . 1 159 485 32 PHE CB C 39.24 . 1 160 485 32 PHE N N 121.6 . 1 161 486 33 ALA H H 8.11 . 1 162 486 33 ALA HA H 4.168 . 1 163 486 33 ALA HB H 1.332 . . 164 486 33 ALA C C 176.6 . 1 165 486 33 ALA CA C 53.29 . 1 166 486 33 ALA CB C 19.1 . 1 167 486 33 ALA N N 123.9 . 1 168 487 34 ASN H H 8.074 . 1 169 487 34 ASN HA H 4.698 . 1 170 487 34 ASN HB2 H 2.883 . . 171 487 34 ASN HB3 H 2.728 . . 172 487 34 ASN CA C 53.15 . 1 173 487 34 ASN CB C 38.9 . 1 174 487 34 ASN N N 116.3 . 1 175 489 36 PRO C C 175.6 . 1 176 489 36 PRO CA C 64.14 . 1 177 489 36 PRO CB C 31.98 . 1 178 490 37 SER H H 8.267 . 1 179 490 37 SER HA H 4.568 . 1 180 490 37 SER HB2 H 3.893 . . 181 490 37 SER HB3 H 3.893 . . 182 490 37 SER C C 173.6 . 1 183 490 37 SER CA C 58.56 . 1 184 490 37 SER CB C 64.23 . 1 185 490 37 SER N N 115.2 . 1 186 491 38 ALA H H 8.092 . 1 187 491 38 ALA HA H 4.652 . 1 188 491 38 ALA HB H 1.552 . . 189 491 38 ALA C C 175.3 . 1 190 491 38 ALA CA C 52.47 . 1 191 491 38 ALA CB C 20.56 . 1 192 491 38 ALA N N 125.3 . 1 193 492 39 ARG H H 8.098 . 1 194 492 39 ARG HA H 5.283 . 1 195 492 39 ARG HB2 H 1.906 . . 196 492 39 ARG HB3 H 1.75 . . 197 492 39 ARG HD2 H 3.187 . . 198 492 39 ARG HD3 H 3.187 . . 199 492 39 ARG HG2 H 1.74 . . 200 492 39 ARG HG3 H 1.62 . . 201 492 39 ARG C C 175.2 . 1 202 492 39 ARG CA C 55.42 . 1 203 492 39 ARG CB C 32.9 . 1 204 492 39 ARG CD C 43.43 . 1 205 492 39 ARG CG C 28.51 . 1 206 492 39 ARG N N 120.2 . 1 207 493 40 VAL H H 8.569 . 1 208 493 40 VAL HA H 4.599 . 1 209 493 40 VAL HB H 2.12 . 1 210 493 40 VAL C C 171.8 . 1 211 493 40 VAL CA C 60.32 . 1 212 493 40 VAL CB C 35.69 . 1 213 493 40 VAL N N 122.5 . 1 214 494 41 THR H H 8.31 . 1 215 494 41 THR HA H 5.322 . 1 216 494 41 THR HB H 3.887 . 1 217 494 41 THR C C 172.6 . 1 218 494 41 THR CA C 61.83 . 1 219 494 41 THR CB C 69.98 . 1 220 494 41 THR N N 125.4 . 1 221 495 42 LEU H H 8.964 . 1 222 495 42 LEU HA H 4.531 . 1 223 495 42 LEU HB2 H 1.1 . . 224 495 42 LEU HB3 H 1.1 . . 225 495 42 LEU HD1 H 0.70 . . 226 495 42 LEU HD1 H 0.62 . . 227 495 42 LEU HD1 H 0.70 . . 228 495 42 LEU HD2 H 0.62 . . 229 495 42 LEU HG H 1.39 . 1 230 495 42 LEU CA C 50.85 . 1 231 495 42 LEU CB C 44.92 . 1 232 495 42 LEU CD1 C 25.66 . 2 233 495 42 LEU CD2 C 24.6 . 2 234 495 42 LEU CG C 27.24 . 1 235 495 42 LEU N N 125.8 . 1 236 496 43 PRO C C 177.1 . 1 237 496 43 PRO CA C 60.64 . 1 238 497 44 LYS H H 8.128 . 1 239 497 44 LYS HA H 3.58 . 1 240 497 44 LYS HB2 H 1.67 . . 241 497 44 LYS HB3 H 1.67 . . 242 497 44 LYS HD2 H 1.36 . . 243 497 44 LYS HD3 H 1.36 . . 244 497 44 LYS HE2 H 2.36 . . 245 497 44 LYS HE3 H 2.2 . . 246 497 44 LYS HG2 H 1.15 . . 247 497 44 LYS HG3 H 1.03 . . 248 497 44 LYS C C 174.2 . 1 249 497 44 LYS CA C 61.28 . 1 250 497 44 LYS CB C 33.23 . 1 251 497 44 LYS CD C 29.67 . 1 252 497 44 LYS CE C 35 . 1 253 497 44 LYS CG C 26.42 . 1 254 497 44 LYS N N 122.3 . 1 255 498 45 SER H H 9.617 . 1 256 498 45 SER HA H 4.47 . 1 257 498 45 SER HB2 H 4.033 . . 258 498 45 SER HB3 H 4.033 . . 259 498 45 SER C C 178.6 . 1 260 498 45 SER CA C 62.79 . 1 261 498 45 SER CB C 62.79 . 1 262 498 45 SER N N 114 . 1 263 499 46 LEU H H 7.638 . 1 264 499 46 LEU HA H 4.592 . 1 265 499 46 LEU HB2 H 1.392 . . 266 499 46 LEU HB3 H 1.392 . . 267 499 46 LEU HG H 1.126 . 1 268 499 46 LEU C C 174.1 . 1 269 499 46 LEU CA C 54.37 . 1 270 499 46 LEU CB C 41.49 . 1 271 499 46 LEU CG C 20.98 . 1 272 499 46 LEU N N 117.5 . 1 273 500 47 VAL H H 7.59 . 1 274 500 47 VAL HA H 4.05 . 1 275 500 47 VAL HB H 1.72 . 1 276 500 47 VAL HG1 H 0.65 . . 277 500 47 VAL HG2 H 0.65 . . 278 500 47 VAL C C 173.3 . 1 279 500 47 VAL CA C 64.07 . 1 280 500 47 VAL CB C 36.27 . 1 281 500 47 VAL CG1 C 21.52 . 2 282 500 47 VAL CG2 C 21.52 . 2 283 500 47 VAL N N 117.1 . 1 284 501 48 TYR H H 8.36 . 1 285 501 48 TYR HA H 4.72 . 1 286 501 48 TYR HB2 H 2.62 . . 287 501 48 TYR HB3 H 2.62 . . 288 501 48 TYR HE1 H 7.15 . 3 289 501 48 TYR HH H 7.004 . 1 290 501 48 TYR C C 176.4 . 1 291 501 48 TYR CA C 59.68 . 1 292 501 48 TYR CB C 37.83 . 1 293 501 48 TYR N N 117.1 . 1 294 502 49 ASP H H 9.335 . 1 295 502 49 ASP HA H 3.946 . 1 296 502 49 ASP HB2 H 2.72 . . 297 502 49 ASP HB3 H 2.92 . . 298 502 49 ASP C C 177.1 . 1 299 502 49 ASP CA C 56.15 . 1 300 502 49 ASP CB C 39.82 . 1 301 502 49 ASP N N 116.9 . 1 302 503 50 LYS H H 7.333 . 1 303 503 50 LYS HA H 4.831 . 1 304 503 50 LYS HB2 H 1.713 . . 305 503 50 LYS HB3 H 1.713 . . 306 503 50 LYS HG2 H 1.46 . . 307 503 50 LYS HG3 H 1.46 . . 308 503 50 LYS C C 174.8 . 1 309 503 50 LYS CA C 52.45 . 1 310 503 50 LYS CB C 34.52 . 1 311 503 50 LYS N N 117.4 . 1 312 504 51 THR H H 7.785 . 1 313 504 51 THR HA H 4.332 . 1 314 504 51 THR HB H 3.88 . 1 315 504 51 THR C C 175.5 . 1 316 504 51 THR CA C 61.29 . 1 317 504 51 THR CB C 69.7 . 1 318 504 51 THR N N 111.8 . 1 319 505 52 PHE H H 8.72 . 1 320 505 52 PHE HA H 4.18 . 1 321 505 52 PHE HB2 H 2.56 . . 322 505 52 PHE HB3 H 2.7 . . 323 505 52 PHE C C 174 . 1 324 505 52 PHE CA C 64.09 . 1 325 505 52 PHE CB C 40.08 . 1 326 505 52 PHE N N 118.6 . 1 327 506 53 SER H H 8.683 . 1 328 506 53 SER HA H 4.72 . 1 329 506 53 SER HB2 H 3.66 . . 330 506 53 SER HB3 H 3.66 . . 331 506 53 SER C C 174.2 . 1 332 506 53 SER CA C 62.83 . 1 333 506 53 SER CB C 61.41 . 1 334 506 53 SER N N 115.8 . 1 335 507 54 LYS H H 6.878 . 1 336 507 54 LYS HA H 4.271 . 1 337 507 54 LYS HB2 H 2.5 . . 338 507 54 LYS HB3 H 2.5 . . 339 507 54 LYS HD2 H 1.83 . . 340 507 54 LYS HD3 H 1.83 . . 341 507 54 LYS HE2 H 3.04 . . 342 507 54 LYS HE3 H 3.04 . . 343 507 54 LYS HG2 H 1.6 . . 344 507 54 LYS HG3 H 1.3 . . 345 507 54 LYS C C 176.8 . 1 346 507 54 LYS CA C 59.92 . 1 347 507 54 LYS CB C 32.58 . 1 348 507 54 LYS CD C 30.99 . 1 349 507 54 LYS CE C 43.14 . 1 350 507 54 LYS CG C 27.54 . 1 351 507 54 LYS N N 120.4 . 1 352 508 55 VAL H H 7.961 . 1 353 508 55 VAL HA H 3.54 . 1 354 508 55 VAL HB H 2.056 . 1 355 508 55 VAL C C 174.2 . 1 356 508 55 VAL CA C 67.6 . 1 357 508 55 VAL CB C 32.21 . 1 358 508 55 VAL N N 120.9 . 1 359 509 56 LEU H H 8.972 . 1 360 509 56 LEU HA H 3.805 . 1 361 509 56 LEU HB2 H 1.32 . . 362 509 56 LEU HB3 H 2.012 . . 363 509 56 LEU HD1 H 0.71 . . 364 509 56 LEU HD1 H 0.82 . . 365 509 56 LEU HD1 H 0.71 . . 366 509 56 LEU HD2 H 0.82 . . 367 509 56 LEU HG H 0.84 . 1 368 509 56 LEU C C 178.8 . 1 369 509 56 LEU CA C 58.75 . 1 370 509 56 LEU CB C 43.24 . 1 371 509 56 LEU CD1 C 23.2 . 2 372 509 56 LEU CD2 C 18.54 . 2 373 509 56 LEU CG C 22.79 . 1 374 509 56 LEU N N 117.6 . 1 375 510 57 TRP H H 7.132 . 1 376 510 57 TRP HA H 4.575 . 1 377 510 57 TRP HB2 H 3.848 . . 378 510 57 TRP HB3 H 3.848 . . 379 510 57 TRP HD1 H 6.96 . 1 380 510 57 TRP HE1 H 10.02 . 1 381 510 57 TRP HE3 H 7.621 . 1 382 510 57 TRP HH2 H 7.23 . 1 383 510 57 TRP HZ2 H 7.54 . 1 384 510 57 TRP HZ3 H 7.09 . 1 385 510 57 TRP C C 178.9 . 1 386 510 57 TRP CA C 59.45 . 1 387 510 57 TRP CB C 27.31 . 1 388 510 57 TRP N N 121.3 . 1 389 511 58 SER H H 9.459 . 1 390 511 58 SER HA H 3.863 . 1 391 511 58 SER HB2 H 3.77 . . 392 511 58 SER HB3 H 3.77 . . 393 511 58 SER C C 173.4 . 1 394 511 58 SER CA C 63.23 . 1 395 511 58 SER CB C 63.2 . 1 396 511 58 SER N N 121 . 1 397 512 59 ALA H H 8.655 . 1 398 512 59 ALA HA H 4.08 . 1 399 512 59 ALA HB H 1.25 . . 400 512 59 ALA C C 175.7 . 1 401 512 59 ALA CA C 52.19 . 1 402 512 59 ALA CB C 18.81 . 1 403 512 59 ALA N N 118.4 . 1 404 513 60 GLY H H 7.903 . 1 405 513 60 GLY HA2 H 4.12 . . 406 513 60 GLY HA3 H 4.12 . . 407 513 60 GLY C C 175.1 . 1 408 513 60 GLY CA C 45.81 . 1 409 513 60 GLY N N 105.5 . 1 410 514 61 LEU H H 8.15 . 1 411 514 61 LEU HA H 4.3 . 1 412 514 61 LEU HB2 H 1.82 . . 413 514 61 LEU HB3 H 1.82 . . 414 514 61 LEU HD1 H 0.82 . . 415 514 61 LEU HD2 H 0.82 . . 416 514 61 LEU HG H 1.42 . 1 417 514 61 LEU C C 175 . 1 418 514 61 LEU CA C 56.41 . 1 419 514 61 LEU CB C 43.98 . 1 420 514 61 LEU CD1 C 26.79 . 2 421 514 61 LEU CD2 C 26.79 . 2 422 514 61 LEU CG C 27.94 . 1 423 514 61 LEU N N 118.8 . 1 424 515 62 VAL H H 7.03 . 1 425 515 62 VAL HA H 4.67 . 1 426 515 62 VAL HB H 2.254 . 1 427 515 62 VAL HG1 H 0.71 . . 428 515 62 VAL HG1 H 0.835 . . 429 515 62 VAL HG1 H 0.71 . . 430 515 62 VAL HG2 H 0.835 . . 431 515 62 VAL C C 175 . 1 432 515 62 VAL CA C 58.4 . 1 433 515 62 VAL CB C 35.69 . 1 434 515 62 VAL CG1 C 18.61 . 2 435 515 62 VAL CG2 C 24.2 . 2 436 515 62 VAL N N 107.2 . 1 437 516 63 ALA H H 8.923 . 1 438 516 63 ALA HA H 4.39 . 1 439 516 63 ALA HB H 1.547 . . 440 516 63 ALA C C 176.4 . 1 441 516 63 ALA CA C 53.91 . 1 442 516 63 ALA CB C 20.06 . 1 443 516 63 ALA N N 123 . 1 444 517 64 SER H H 7.39 . 1 445 517 64 SER HA H 4.243 . 1 446 517 64 SER HB2 H 3.79 . . 447 517 64 SER HB3 H 3.79 . . 448 517 64 SER C C 173.1 . 1 449 517 64 SER CA C 56.25 . 1 450 517 64 SER CB C 65.98 . 1 451 517 64 SER N N 107.7 . 1 452 518 65 LYS H H 8.313 . 1 453 518 65 LYS HA H 4.72 . 1 454 518 65 LYS HB2 H 1.41 . . 455 518 65 LYS HB3 H 1.41 . . 456 518 65 LYS C C 175.5 . 1 457 518 65 LYS CA C 59.52 . 1 458 518 65 LYS CB C 31.54 . 1 459 518 65 LYS N N 123.2 . 1 460 519 66 SER H H 8.082 . 1 461 519 66 SER HA H 4.1 . 1 462 519 66 SER HB2 H 3.817 . . 463 519 66 SER HB3 H 3.817 . . 464 519 66 SER C C 173.1 . 1 465 519 66 SER CA C 62.18 . 1 466 519 66 SER CB C 62.84 . 1 467 519 66 SER N N 115.7 . 1 468 520 67 GLU H H 7.946 . 1 469 520 67 GLU HA H 4.12 . 1 470 520 67 GLU HB2 H 2.19 . . 471 520 67 GLU HB3 H 2.095 . . 472 520 67 GLU HG2 H 2.32 . . 473 520 67 GLU HG3 H 2.32 . . 474 520 67 GLU C C 176.7 . 1 475 520 67 GLU CA C 59.16 . 1 476 520 67 GLU CB C 30.06 . 1 477 520 67 GLU CG C 36.95 . 1 478 520 67 GLU N N 125.3 . 1 479 521 68 GLY H H 8.057 . 1 480 521 68 GLY HA2 H 4.71 . . 481 521 68 GLY HA3 H 4.71 . . 482 521 68 GLY C C 177.9 . 1 483 521 68 GLY CA C 48.5 . 1 484 521 68 GLY N N 106.6 . 1 485 522 69 GLN H H 8.152 . 1 486 522 69 GLN HA H 3.85 . 1 487 522 69 GLN HB2 H 1.99 . . 488 522 69 GLN HB3 H 2.12 . . 489 522 69 GLN HE22 H 6.79 . . 490 522 69 GLN HG2 H 2.38 . . 491 522 69 GLN HG3 H 2.38 . . 492 522 69 GLN C C 173.2 . 1 493 522 69 GLN CA C 58.43 . 1 494 522 69 GLN CB C 28.74 . 1 495 522 69 GLN CG C 33.5 . 1 496 522 69 GLN N N 121.2 . 1 497 522 69 GLN NE2 N 114.6 . 1 498 523 70 ARG H H 7.941 . 1 499 523 70 ARG HA H 3.93 . 1 500 523 70 ARG HB2 H 1.92 . . 501 523 70 ARG HB3 H 1.92 . . 502 523 70 ARG HD2 H 3.255 . . 503 523 70 ARG HD3 H 3.255 . . 504 523 70 ARG HG2 H 1.5 . . 505 523 70 ARG HG3 H 1.717 . . 506 523 70 ARG C C 176.8 . 1 507 523 70 ARG CA C 59.88 . 1 508 523 70 ARG CB C 30.23 . 1 509 523 70 ARG CD C 43.3 . 1 510 523 70 ARG CG C 27.83 . 1 511 523 70 ARG N N 121.4 . 1 512 524 71 ILE H H 8.114 . 1 513 524 71 ILE HA H 3.777 . 1 514 524 71 ILE HB H 1.834 . 1 515 524 71 ILE HG12 H 0.79 . . 516 524 71 ILE HG13 H 1.558 . . 517 524 71 ILE HG2 H 1.29 . . 518 524 71 ILE HG2 H 1.558 . . 519 524 71 ILE C C 178.2 . 1 520 524 71 ILE CA C 64.19 . 1 521 524 71 ILE CB C 37.52 . 1 522 524 71 ILE CG1 C 18.68 . 1 523 524 71 ILE CG2 C 29.08 . 1 524 524 71 ILE N N 120 . 1 525 525 72 ILE H H 7.774 . 1 526 525 72 ILE HA H 3.802 . 1 527 525 72 ILE HB H 1.7 . 1 528 525 72 ILE HD1 H 0.86 . . 529 525 72 ILE HG12 H 0.5 . . 530 525 72 ILE HG13 H 0.6 . . 531 525 72 ILE HG2 H 0.5 . . 532 525 72 ILE HG2 H 0.6 . . 533 525 72 ILE C C 178.3 . 1 534 525 72 ILE CA C 64.18 . 1 535 525 72 ILE CB C 38.18 . 1 536 525 72 ILE CD1 C 13.5 . 1 537 525 72 ILE CG1 C 16.44 . 1 538 525 72 ILE CG2 C 15.15 . 1 539 525 72 ILE N N 123.8 . 1 540 526 73 ASN H H 8.5 . 1 541 526 73 ASN HA H 4.378 . 1 542 526 73 ASN HB2 H 2.93 . . 543 526 73 ASN HB3 H 2.812 . . 544 526 73 ASN C C 176.2 . 1 545 526 73 ASN CA C 55.29 . 1 546 526 73 ASN CB C 37.81 . 1 547 526 73 ASN N N 121.5 . 1 548 527 74 ASN H H 7.52 . 1 549 527 74 ASN HA H 4.802 . 1 550 527 74 ASN HB2 H 2.964 . . 551 527 74 ASN HB3 H 2.62 . . 552 527 74 ASN C C 175.3 . 1 553 527 74 ASN CA C 52.68 . 1 554 527 74 ASN CB C 38.89 . 1 555 527 74 ASN N N 117.7 . 1 556 528 75 ASN H H 8.126 . 1 557 528 75 ASN HA H 4.401 . 1 558 528 75 ASN HB2 H 2.805 . . 559 528 75 ASN HB3 H 2.805 . . 560 528 75 ASN C C 174 . 1 561 528 75 ASN CA C 54.62 . 1 562 528 75 ASN CB C 37.27 . 1 563 528 75 ASN N N 117.6 . 1 564 529 76 GLY H H 7.947 . 1 565 529 76 GLY HA2 H 3.43 . . 566 529 76 GLY HA3 H 4.45 . . 567 529 76 GLY C C 172.5 . 1 568 529 76 GLY CA C 45.23 . 1 569 529 76 GLY N N 102 . 1 570 530 77 ALA H H 7.563 . 1 571 530 77 ALA HA H 5.21 . 1 572 530 77 ALA HB H 1.09 . . 573 530 77 ALA C C 174.3 . 1 574 530 77 ALA CA C 50 . 1 575 530 77 ALA CB C 23.37 . 1 576 530 77 ALA N N 122.2 . 1 577 531 78 TYR H H 9.384 . 1 578 531 78 TYR HA H 5.179 . 1 579 531 78 TYR HB2 H 2.887 . . 580 531 78 TYR HB3 H 2.6 . . 581 531 78 TYR HD2 H 6.85 . 3 582 531 78 TYR HE1 H 6.89 . 3 583 531 78 TYR C C 172.4 . 1 584 531 78 TYR CA C 56.8 . 1 585 531 78 TYR CB C 43.5 . 1 586 531 78 TYR N N 120 . 1 587 532 79 VAL H H 9.097 . 1 588 532 79 VAL HA H 5.511 . 1 589 532 79 VAL HB H 1.385 . 1 590 532 79 VAL HG1 H 1.13 . . 591 532 79 VAL HG1 H 0.28 . . 592 532 79 VAL HG1 H 1.13 . . 593 532 79 VAL HG2 H 0.28 . . 594 532 79 VAL C C 174.3 . 1 595 532 79 VAL CA C 58.14 . 1 596 532 79 VAL CB C 35.34 . 1 597 532 79 VAL CG1 C 22.77 . 2 598 532 79 VAL CG2 C 18.8 . 2 599 532 79 VAL N N 119.9 . 1 600 533 80 GLY H H 9.148 . 1 601 533 80 GLY HA2 H 2.76 . . 602 533 80 GLY HA3 H 4.42 . . 603 533 80 GLY C C 171.8 . 1 604 533 80 GLY CA C 45.39 . 1 605 533 80 GLY N N 116.5 . 1 606 534 81 SER H H 8.789 . 1 607 534 81 SER HA H 4.747 . 1 608 534 81 SER HB2 H 3.75 . . 609 534 81 SER HB3 H 3.855 . . 610 534 81 SER C C 171.6 . 1 611 534 81 SER CA C 57.31 . 1 612 534 81 SER CB C 65.85 . 1 613 534 81 SER N N 116.7 . 1 614 535 82 ARG H H 8.521 . 1 615 535 82 ARG HA H 4.877 . 1 616 535 82 ARG HB2 H 1.911 . . 617 535 82 ARG HB3 H 1.647 . . 618 535 82 ARG CA C 56.17 . 1 619 535 82 ARG CB C 32.02 . 1 620 535 82 ARG N N 122.1 . 1 621 537 84 GLY C C 173.5 . 1 622 537 84 GLY CA C 45.48 . 1 623 538 85 VAL H H 7.884 . 1 624 538 85 VAL HA H 4.13 . 1 625 538 85 VAL HB H 2.09 . 1 626 538 85 VAL HG1 H 0.92 . . 627 538 85 VAL HG2 H 0.92 . . 628 538 85 VAL C C 175.2 . 1 629 538 85 VAL CA C 62.22 . 1 630 538 85 VAL CB C 32.96 . 1 631 538 85 VAL CG1 C 20.88 . 2 632 538 85 VAL CG2 C 20.88 . 2 633 538 85 VAL N N 119.5 . 1 634 539 86 LYS H H 8.365 . 1 635 539 86 LYS HA H 4.314 . 1 636 539 86 LYS HB2 H 1.743 . . 637 539 86 LYS HB3 H 1.743 . . 638 539 86 LYS HD2 H 1.422 . . 639 539 86 LYS HD3 H 1.422 . . 640 539 86 LYS HE2 H 3.0003 . . 641 539 86 LYS HE3 H 3.0003 . . 642 539 86 LYS HG2 H 1.817 . . 643 539 86 LYS HG3 H 1.817 . . 644 539 86 LYS C C 175.5 . 1 645 539 86 LYS CA C 56.22 . 1 646 539 86 LYS CB C 33.15 . 1 647 539 86 LYS CD C 24.78 . 1 648 539 86 LYS CE C 42.23 . 1 649 539 86 LYS CG C 29.11 . 1 650 539 86 LYS N N 125.7 . 1 651 540 87 LYS H H 8.356 . 1 652 540 87 LYS HA H 4.27 . 1 653 540 87 LYS C C 175.5 . 1 654 540 87 LYS CA C 56.39 . 1 655 540 87 LYS CB C 33.35 . 1 656 540 87 LYS N N 123.8 . 1 657 541 88 ASN H H 8.518 . 1 658 541 88 ASN HA H 4.688 . 1 659 541 88 ASN HB2 H 2.81 . . 660 541 88 ASN HB3 H 2.734 . . 661 541 88 ASN C C 173.9 . 1 662 541 88 ASN CA C 53.32 . 1 663 541 88 ASN CB C 38.81 . 1 664 541 88 ASN N N 120.1 . 1 665 542 89 GLU H H 8.102 . 1 666 542 89 GLU HA H 4.635 . 1 667 542 89 GLU HB2 H 1.896 . . 668 542 89 GLU HB3 H 1.896 . . 669 542 89 GLU HG2 H 2.05 . . 670 542 89 GLU HG3 H 2.275 . . 671 542 89 GLU CA C 54.25 . 1 672 542 89 GLU CB C 30.11 . 1 673 542 89 GLU N N 122.6 . 1 674 548 95 PRO HA H 4.443 . 1 675 548 95 PRO HB2 H 1.99 . . 676 548 95 PRO HB3 H 1.35 . . 677 548 95 PRO HD2 H 3.73 . . 678 548 95 PRO HD3 H 3.6 . . 679 548 95 PRO HG2 H 2.27 . . 680 548 95 PRO HG3 H 2.27 . . 681 548 95 PRO C C 176.4 . 1 682 548 95 PRO CA C 63.18 . 1 683 548 95 PRO CB C 32.85 . 1 684 548 95 PRO CD C 50.57 . 1 685 548 95 PRO CG C 29 . 1 686 549 96 ASP H H 8.342 . 1 687 549 96 ASP HA H 4.56 . 1 688 549 96 ASP HB2 H 2.65 . . 689 549 96 ASP HB3 H 2.65 . . 690 549 96 ASP C C 175.3 . 1 691 549 96 ASP CA C 54.57 . 1 692 549 96 ASP CB C 41.19 . 1 693 549 96 ASP N N 120.2 . 1 694 550 97 ASP H H 8.082 . 1 695 550 97 ASP HA H 4.582 . 1 696 550 97 ASP HB2 H 2.65 . . 697 550 97 ASP HB3 H 2.65 . . 698 550 97 ASP C C 174.7 . 1 699 550 97 ASP CA C 53.91 . 1 700 550 97 ASP CB C 41.06 . 1 701 550 97 ASP N N 120.2 . 1 702 551 98 LEU H H 7.652 . 1 703 551 98 LEU HA H 4.496 . 1 704 551 98 LEU HB2 H 1.418 . . 705 551 98 LEU HB3 H 1.418 . . 706 551 98 LEU HD1 H 0.718 . . 707 551 98 LEU HD1 H 0.61 . . 708 551 98 LEU HD1 H 0.718 . . 709 551 98 LEU HD2 H 0.61 . . 710 551 98 LEU HG H 1.098 . 1 711 551 98 LEU C C 175.9 . 1 712 551 98 LEU CA C 54.98 . 1 713 551 98 LEU CB C 44.35 . 1 714 551 98 LEU CD1 C 26.08 . 2 715 551 98 LEU CD2 C 25.2 . 2 716 551 98 LEU CG C 21.66 . 1 717 551 98 LEU N N 121 . 1 718 552 99 THR H H 8.538 . 1 719 552 99 THR HA H 4.493 . 1 720 552 99 THR HB H 4.009 . 1 721 552 99 THR HG2 H 1.118 . . 722 552 99 THR C C 172 . 1 723 552 99 THR CA C 60.59 . 1 724 552 99 THR CB C 71.27 . 1 725 552 99 THR CG2 C 21.18 . 1 726 552 99 THR N N 117.9 . 1 727 553 100 PHE H H 8.739 . 1 728 553 100 PHE HA H 5.12 . 1 729 553 100 PHE HB2 H 2.628 . . 730 553 100 PHE HB3 H 2.628 . . 731 553 100 PHE C C 174.6 . 1 732 553 100 PHE CA C 58.27 . 1 733 553 100 PHE CB C 41.66 . 1 734 553 100 PHE N N 121.9 . 1 735 554 101 THR H H 9.02 . 1 736 554 101 THR HA H 5.074 . 1 737 554 101 THR HB H 4.13 . 1 738 554 101 THR HG2 H 1.46 . . 739 554 101 THR CA C 59.26 . 1 740 554 101 THR CB C 72.19 . 1 741 554 101 THR CG2 C 20.77 . 1 742 554 101 THR N N 121.5 . 1 743 556 103 ILE H H 8.013 . 1 744 556 103 ILE HA H 3.29 . 1 745 556 103 ILE HB H 0.96 . 1 746 556 103 ILE HD1 H 0.17 . . 747 556 103 ILE HG12 H 0.008 . . 748 556 103 ILE HG13 H 0.46 . . 749 556 103 ILE HG2 H 1.18 . . 750 556 103 ILE HG2 H 0.46 . . 751 556 103 ILE C C 173.2 . 1 752 556 103 ILE CA C 62.3 . 1 753 556 103 ILE CB C 38.3 . 1 754 556 103 ILE CD1 C 13.8 . 1 755 556 103 ILE CG1 C 30.04 . 1 756 556 103 ILE CG2 C 19.27 . 1 757 556 103 ILE N N 125.6 . 1 758 557 104 LYS H H 8.324 . 1 759 557 104 LYS HA H 4.25 . 1 760 557 104 LYS HB2 H 1.35 . . 761 557 104 LYS HB3 H 1.35 . . 762 557 104 LYS HG2 H 1.56 . . 763 557 104 LYS HG3 H 1.56 . . 764 557 104 LYS C C 175.2 . 1 765 557 104 LYS CA C 53.06 . 1 766 557 104 LYS CB C 32.9 . 1 767 557 104 LYS N N 121.8 . 1 768 558 105 THR H H 7.815 . 1 769 558 105 THR HA H 4.158 . 1 770 558 105 THR HG2 H 1.171 . . 771 558 105 THR C C 174 . 1 772 558 105 THR CA C 62.35 . 1 773 558 105 THR CB C 67.37 . 1 774 558 105 THR CG2 C 20.76 . 1 775 558 105 THR N N 116.1 . 1 776 559 106 TRP H H 7.55 . 1 777 559 106 TRP HA H 5.071 . 1 778 559 106 TRP HB2 H 3.36 . . 779 559 106 TRP HB3 H 3.41 . . 780 559 106 TRP HD1 H 7.43 . 1 781 559 106 TRP HE1 H 10.46 . 1 782 559 106 TRP HE3 H 7.85 . 1 783 559 106 TRP HH2 H 6.943 . 1 784 559 106 TRP HZ2 H 7.58 . 1 785 559 106 TRP HZ3 H 6.46 . 1 786 559 106 TRP C C 176.3 . 1 787 559 106 TRP CA C 56.04 . 1 788 559 106 TRP CB C 32 . 1 789 559 106 TRP N N 126.1 . 1 790 560 107 ASN H H 9.005 . 1 791 560 107 ASN HB2 H 2.92 . . 792 560 107 ASN HB3 H 2.92 . . 793 560 107 ASN HD22 H 7.07 . . 794 560 107 ASN C C 176.5 . 1 795 560 107 ASN CA C 54.1 . 1 796 560 107 ASN CB C 38.98 . 1 797 560 107 ASN N N 121.1 . 1 798 560 107 ASN ND2 N 114.8 . 1 799 561 108 ALA H H 9.121 . 1 800 561 108 ALA HA H 4.713 . 1 801 561 108 ALA HB H 1.304 . . 802 561 108 ALA C C 176.9 . 1 803 561 108 ALA CA C 55.4 . 1 804 561 108 ALA CB C 18.81 . 1 805 561 108 ALA N N 129.1 . 1 806 562 109 SER H H 8.27 . 1 807 562 109 SER HA H 4.424 . 1 808 562 109 SER HB2 H 3.882 . . 809 562 109 SER HB3 H 3.882 . . 810 562 109 SER C C 173.9 . 1 811 562 109 SER CA C 60.01 . 1 812 562 109 SER CB C 63.19 . 1 813 562 109 SER N N 110.9 . 1 814 563 110 LYS H H 7.702 . 1 815 563 110 LYS HA H 4.013 . 1 816 563 110 LYS HB2 H 1.92 . . 817 563 110 LYS HB3 H 1.762 . . 818 563 110 LYS HD2 H 0.93 . . 819 563 110 LYS HD3 H 0.93 . . 820 563 110 LYS HE2 H 2.25 . . 821 563 110 LYS HE3 H 2.25 . . 822 563 110 LYS HG2 H 1.34 . . 823 563 110 LYS HG3 H 1.2 . . 824 563 110 LYS C C 177.3 . 1 825 563 110 LYS CA C 56.5 . 1 826 563 110 LYS CB C 33.32 . 1 827 563 110 LYS CD C 25.28 . 1 828 563 110 LYS CE C 41.73 . 1 829 563 110 LYS CG C 28.85 . 1 830 563 110 LYS N N 121.2 . 1 831 564 111 THR H H 7.655 . 1 832 564 111 THR HA H 3.75 . 1 833 564 111 THR HB H 4.166 . 1 834 564 111 THR HG2 H 0.589 . . 835 564 111 THR C C 175.5 . 1 836 564 111 THR CA C 66.7 . 1 837 564 111 THR CB C 68.52 . 1 838 564 111 THR CG2 C 15.33 . 1 839 564 111 THR N N 118.4 . 1 840 565 112 GLN H H 8.502 . 1 841 565 112 GLN HA H 4.341 . 1 842 565 112 GLN HB2 H 2.378 . . 843 565 112 GLN HB3 H 2.378 . . 844 565 112 GLN HG2 H 2.001 . . 845 565 112 GLN HG3 H 2.001 . . 846 565 112 GLN CA C 56.9 . 1 847 565 112 GLN CB C 27.38 . 1 848 565 112 GLN CG C 29.84 . 1 849 565 112 GLN N N 114.5 . 1 850 566 113 GLU H H 7.924 . 1 851 566 113 GLU HA H 3.94 . 1 852 566 113 GLU HB2 H 2.12 . . 853 566 113 GLU HB3 H 2.12 . . 854 566 113 GLU HG2 H 2.34 . . 855 566 113 GLU HG3 H 2.34 . . 856 566 113 GLU C C 176.8 . 1 857 566 113 GLU CA C 58.3 . 1 858 566 113 GLU CB C 28.65 . 1 859 566 113 GLU CG C 33.74 . 1 860 566 113 GLU N N 122.2 . 1 861 567 114 PHE H H 7.7 . 1 862 567 114 PHE HA H 4.438 . 1 863 567 114 PHE HB2 H 3.61 . . 864 567 114 PHE HB3 H 2.96 . . 865 567 114 PHE C C 174.6 . 1 866 567 114 PHE CA C 59.04 . 1 867 567 114 PHE CB C 39.93 . 1 868 567 114 PHE N N 116.1 . 1 869 568 115 ILE H H 6.959 . 1 870 568 115 ILE HA H 4.162 . 1 871 568 115 ILE HB H 1.697 . 1 872 568 115 ILE HD1 H 0.78 . . 873 568 115 ILE HG12 H 0.8053 . . 874 568 115 ILE HG13 H 0.58 . . 875 568 115 ILE HG2 H 0.8053 . . 876 568 115 ILE HG2 H 0.58 . . 877 568 115 ILE C C 175.6 . 1 878 568 115 ILE CA C 62.75 . 1 879 568 115 ILE CB C 38.09 . 1 880 568 115 ILE CD1 C 17.05 . 1 881 568 115 ILE CG1 C 14.81 . 1 882 568 115 ILE CG2 C 15.49 . 1 883 568 115 ILE N N 122 . 1 884 569 116 ILE H H 10.02 . 1 885 569 116 ILE HA H 4.343 . 1 886 569 116 ILE HB H 1.826 . 1 887 569 116 ILE HD1 H 0.96 . . 888 569 116 ILE HG12 H 1.86 . . 889 569 116 ILE HG13 H 0.81 . . 890 569 116 ILE HG2 H 1.12 . . 891 569 116 ILE HG2 H 0.81 . . 892 569 116 ILE C C 174.3 . 1 893 569 116 ILE CA C 60.54 . 1 894 569 116 ILE CB C 40.04 . 1 895 569 116 ILE CD1 C 17.7 . 1 896 569 116 ILE CG1 C 27.87 . 1 897 569 116 ILE CG2 C 14.2 . 1 898 569 116 ILE N N 132.5 . 1 899 570 117 ASP H H 8.86 . 1 900 570 117 ASP HA H 4.328 . 1 901 570 117 ASP HB2 H 2.99 . . 902 570 117 ASP HB3 H 2.815 . . 903 570 117 ASP C C 174.8 . 1 904 570 117 ASP CA C 55.46 . 1 905 570 117 ASP CB C 39.83 . 1 906 570 117 ASP N N 123.2 . 1 907 571 118 GLY H H 8.466 . 1 908 571 118 GLY HA2 H 4.29 . . 909 571 118 GLY HA3 H 4.29 . . 910 571 118 GLY C C 174.2 . 1 911 571 118 GLY CA C 46.27 . 1 912 571 118 GLY N N 106.3 . 1 913 572 119 ASP H H 7.94 . 1 914 572 119 ASP C C 174.8 . 1 915 572 119 ASP CA C 52.86 . 1 916 572 119 ASP CB C 38.81 . 1 917 572 119 ASP N N 121.4 . 1 918 573 120 LEU H H 7.836 . 1 919 573 120 LEU HA H 5.718 . 1 920 573 120 LEU HB2 H 1.63 . . 921 573 120 LEU HB3 H 1.71 . . 922 573 120 LEU HD1 H 0.87 . . 923 573 120 LEU HD2 H 0.87 . . 924 573 120 LEU HG H 1.54 . 1 925 573 120 LEU C C 174.2 . 1 926 573 120 LEU CA C 53.88 . 1 927 573 120 LEU CB C 45.64 . 1 928 573 120 LEU CD1 C 25.27 . 2 929 573 120 LEU CD2 C 27.2 . 2 930 573 120 LEU CG C 27.27 . 1 931 573 120 LEU N N 121.4 . 1 932 574 121 LEU H H 9.213 . 1 933 574 121 LEU HA H 4.914 . 1 934 574 121 LEU HB2 H 1.28 . . 935 574 121 LEU HB3 H 1.67 . . 936 574 121 LEU HD1 H 0.99 . . 937 574 121 LEU HD2 H 0.99 . . 938 574 121 LEU HG H 1.51 . 1 939 574 121 LEU C C 174.7 . 1 940 574 121 LEU CA C 53.54 . 1 941 574 121 LEU CB C 47.21 . 1 942 574 121 LEU CD1 C 25.68 . 2 943 574 121 LEU CG C 27.2 . 1 944 574 121 LEU N N 126.3 . 1 945 575 122 ILE H H 9.448 . 1 946 575 122 ILE HA H 4.853 . 1 947 575 122 ILE HB H 1.626 . 1 948 575 122 ILE HD1 H 0.81 . . 949 575 122 ILE HG12 H 1.012 . . 950 575 122 ILE HG13 H 0.78 . . 951 575 122 ILE HG2 H 1.012 . . 952 575 122 ILE HG2 H 0.78 . . 953 575 122 ILE C C 174.1 . 1 954 575 122 ILE CA C 61.51 . 1 955 575 122 ILE CB C 39.82 . 1 956 575 122 ILE CD1 C 15.11 . 1 957 575 122 ILE CG1 C 18.44 . 1 958 575 122 ILE CG2 C 16.07 . 1 959 575 122 ILE N N 127.5 . 1 960 576 123 LEU H H 8.608 . 1 961 576 123 LEU HA H 5.404 . 1 962 576 123 LEU HB2 H 1.21 . . 963 576 123 LEU HB3 H 1.674 . . 964 576 123 LEU HD1 H 1.67 . . 965 576 123 LEU HD1 H 0.79 . . 966 576 123 LEU HD1 H 1.67 . . 967 576 123 LEU HD2 H 0.79 . . 968 576 123 LEU HG H 1.038 . 1 969 576 123 LEU C C 174.5 . 1 970 576 123 LEU CA C 52.74 . 1 971 576 123 LEU CB C 47.07 . 1 972 576 123 LEU CD1 C 26.56 . 2 973 576 123 LEU CD2 C 26.6 . 2 974 576 123 LEU CG C 23.43 . 1 975 576 123 LEU N N 127.1 . 1 976 577 124 LYS H H 8.79 . 1 977 577 124 LYS HA H 5.109 . 1 978 577 124 LYS HB2 H 1.1 . . 979 577 124 LYS HB3 H 1.268 . . 980 577 124 LYS HD2 H 0.32 . . 981 577 124 LYS HD3 H 0.54 . . 982 577 124 LYS HE2 H 1.78 . . 983 577 124 LYS HE3 H 1.78 . . 984 577 124 LYS HG2 H 0.94 . . 985 577 124 LYS HG3 H 0.85 . . 986 577 124 LYS C C 173.1 . 1 987 577 124 LYS CA C 55.16 . 1 988 577 124 LYS CB C 37.98 . 1 989 577 124 LYS CD C 29.16 . 1 990 577 124 LYS CE C 41.04 . 1 991 577 124 LYS CG C 24.37 . 1 992 577 124 LYS N N 121.9 . 1 993 578 125 LEU H H 8.901 . 1 994 578 125 LEU HA H 5.01 . 1 995 578 125 LEU HB2 H 1.826 . . 996 578 125 LEU HB3 H 1.826 . . 997 578 125 LEU HD1 H 1.666 . . 998 578 125 LEU HD1 H 0.94 . . 999 578 125 LEU HD1 H 1.666 . . 1000 578 125 LEU HD2 H 0.94 . . 1001 578 125 LEU HG H 1.468 . 1 1002 578 125 LEU C C 175.4 . 1 1003 578 125 LEU CA C 53.24 . 1 1004 578 125 LEU CB C 44.52 . 1 1005 578 125 LEU CD1 C 36.85 . 2 1006 578 125 LEU CD2 C 27.8 . 2 1007 578 125 LEU CG C 23.29 . 1 1008 578 125 LEU N N 128.1 . 1 1009 579 126 GLY H H 8.319 . 1 1010 579 126 GLY HA2 H 3.82 . . 1011 579 126 GLY HA3 H 3.82 . . 1012 579 126 GLY C C 174.6 . 1 1013 579 126 GLY CA C 46.3 . 1 1014 579 126 GLY N N 112.3 . 1 1015 580 127 LYS H H 8.06 . 1 1016 580 127 LYS HA H 3.7 . 1 1017 580 127 LYS HB2 H 0.98 . . 1018 580 127 LYS HB3 H 0.98 . . 1019 580 127 LYS HD2 H 0.78 . . 1020 580 127 LYS HD3 H 0.78 . . 1021 580 127 LYS HE2 H 2.27 . . 1022 580 127 LYS HE3 H 2.27 . . 1023 580 127 LYS HG2 H 1.35 . . 1024 580 127 LYS HG3 H 1.35 . . 1025 580 127 LYS C C 177 . 1 1026 580 127 LYS CA C 57.92 . 1 1027 580 127 LYS CB C 32.9 . 1 1028 580 127 LYS CD C 24.9 . 1 1029 580 127 LYS CE C 42.07 . 1 1030 580 127 LYS CG C 29.14 . 1 1031 580 127 LYS N N 121.4 . 1 1032 581 128 TRP H H 8.178 . 1 1033 581 128 TRP HA H 4.938 . 1 1034 581 128 TRP HB2 H 3.418 . . 1035 581 128 TRP HB3 H 3.18 . . 1036 581 128 TRP HD1 H 7.21 . 1 1037 581 128 TRP HE1 H 10.16 . 1 1038 581 128 TRP HE3 H 7.78 . 1 1039 581 128 TRP HH2 H 7.22 . 1 1040 581 128 TRP HZ2 H 7.47 . 1 1041 581 128 TRP HZ3 H 7.06 . 1 1042 581 128 TRP C C 175.5 . 1 1043 581 128 TRP CA C 57.2 . 1 1044 581 128 TRP CB C 32 . 1 1045 581 128 TRP N N 116 . 1 1046 582 129 LYS H H 7.33 . 1 1047 582 129 LYS HA H 4.468 . 1 1048 582 129 LYS HB2 H 1.80 . . 1049 582 129 LYS HB3 H 1.74 . . 1050 582 129 LYS HG2 H 1.33 . . 1051 582 129 LYS HG3 H 1.27 . . 1052 582 129 LYS C C 173.4 . 1 1053 582 129 LYS CA C 56.56 . 1 1054 582 129 LYS CB C 33.21 . 1 1055 582 129 LYS N N 121.4 . 1 1056 583 130 MET H H 8.152 . 1 1057 583 130 MET HA H 5.251 . 1 1058 583 130 MET HB2 H 1.969 . . 1059 583 130 MET HB3 H 1.879 . . 1060 583 130 MET HG2 H 2.296 . . 1061 583 130 MET HG3 H 2.389 . . 1062 583 130 MET C C 174.5 . 1 1063 583 130 MET CA C 54.75 . 1 1064 583 130 MET CB C 36.98 . 1 1065 583 130 MET CG C 31.52 . 1 1066 583 130 MET N N 124.9 . 1 1067 584 131 LYS H H 9.13 . 1 1068 584 131 LYS HA H 5.016 . 1 1069 584 131 LYS HB2 H 1.67 . . 1070 584 131 LYS HB3 H 1.501 . . 1071 584 131 LYS HG2 H 1.344 . . 1072 584 131 LYS HG3 H 1.344 . . 1073 584 131 LYS C C 173 . 1 1074 584 131 LYS CA C 54.75 . 1 1075 584 131 LYS CB C 36.98 . 1 1076 584 131 LYS CG C 29.15 . 1 1077 584 131 LYS N N 122.6 . 1 1078 585 132 LEU H H 8.84 . 1 1079 585 132 LEU HA H 4.678 . 1 1080 585 132 LEU HB2 H 1.52 . . 1081 585 132 LEU HB3 H 1.639 . . 1082 585 132 LEU HD1 H 0.86 . . 1083 585 132 LEU HD1 H 0.91 . . 1084 585 132 LEU HD1 H 0.86 . . 1085 585 132 LEU HD2 H 0.91 . . 1086 585 132 LEU HG H 1.64 . 1 1087 585 132 LEU C C 174.6 . 1 1088 585 132 LEU CA C 54.67 . 1 1089 585 132 LEU CB C 42.5 . 1 1090 585 132 LEU CD1 C 25.1 . 2 1091 585 132 LEU CD2 C 26 . 2 1092 585 132 LEU CG C 28.8 . 1 1093 585 132 LEU N N 126.6 . 1 1094 586 133 VAL H H 9.413 . 1 1095 586 133 VAL HA H 4.768 . 1 1096 586 133 VAL HB H 2.532 . 1 1097 586 133 VAL HG1 H 0.73 . . 1098 586 133 VAL HG2 H 0.73 . . 1099 586 133 VAL C C 175.2 . 1 1100 586 133 VAL CA C 60.79 . 1 1101 586 133 VAL CB C 32.55 . 1 1102 586 133 VAL CG1 C 20.89 . 2 1103 586 133 VAL CG2 C 20.89 . 2 1104 586 133 VAL N N 128.4 . 1 1105 587 134 SER H H 9.07 . 1 1106 587 134 SER HA H 5.203 . 1 1107 587 134 SER HB2 H 3.72 . . 1108 587 134 SER HB3 H 3.85 . . 1109 587 134 SER C C 172.8 . 1 1110 587 134 SER CA C 57.86 . 1 1111 587 134 SER CB C 64.07 . 1 1112 587 134 SER N N 124.5 . 1 1113 588 135 ILE H H 8.73 . 1 1114 588 135 ILE HA H 5.042 . 1 1115 588 135 ILE HB H 1.62 . 1 1116 588 135 ILE HG12 H 1.004 . . 1117 588 135 ILE HG13 H 0.79 . . 1118 588 135 ILE HG2 H 1.004 . . 1119 588 135 ILE HG2 H 0.79 . . 1120 588 135 ILE C C 176.7 . 1 1121 588 135 ILE CA C 60.34 . 1 1122 588 135 ILE CB C 39.34 . 1 1123 588 135 ILE CG1 C 28.59 . 1 1124 588 135 ILE CG2 C 15.44 . 1 1125 588 135 ILE N N 126.6 . 1 1126 589 136 VAL H H 8.62 . 1 1127 589 136 VAL HA H 4.883 . 1 1128 589 136 VAL HB H 2.349 . 1 1129 589 136 VAL HG1 H 0.76 . . 1130 589 136 VAL HG1 H 0.81 . . 1131 589 136 VAL HG1 H 0.76 . . 1132 589 136 VAL HG2 H 0.81 . . 1133 589 136 VAL C C 174 . 1 1134 589 136 VAL CA C 56.29 . 1 1135 589 136 VAL CB C 35.85 . 1 1136 589 136 VAL CG1 C 18.57 . 2 1137 589 136 VAL CG2 C 21.4 . 2 1138 589 136 VAL N N 121.3 . 1 1139 590 137 SER H H 8.707 . 1 1140 590 137 SER HA H 4.236 . 1 1141 590 137 SER C C 173.6 . 1 1142 590 137 SER CA C 58.02 . 1 1143 590 137 SER CB C 64.36 . 1 1144 590 137 SER N N 116.9 . 1 1145 591 138 ASP H H 9.097 . 1 1146 591 138 ASP HA H 4.387 . 1 1147 591 138 ASP HB2 H 2.75 . . 1148 591 138 ASP HB3 H 2.92 . . 1149 591 138 ASP C C 175.7 . 1 1150 591 138 ASP CA C 58.14 . 1 1151 591 138 ASP CB C 39.67 . 1 1152 591 138 ASP N N 124.8 . 1 1153 592 139 GLU H H 8.727 . 1 1154 592 139 GLU HA H 4.073 . 1 1155 592 139 GLU HB2 H 2.015 . . 1156 592 139 GLU HB3 H 2.11 . . 1157 592 139 GLU HG2 H 2.47 . . 1158 592 139 GLU HG3 H 2.35 . . 1159 592 139 GLU C C 178.5 . 1 1160 592 139 GLU CA C 60.27 . 1 1161 592 139 GLU CB C 29.24 . 1 1162 592 139 GLU CG C 36.78 . 1 1163 592 139 GLU N N 118.2 . 1 1164 593 140 LYS H H 8.132 . 1 1165 593 140 LYS HA H 4.15 . 1 1166 593 140 LYS HB2 H 1.763 . . 1167 593 140 LYS HB3 H 1.763 . . 1168 593 140 LYS C C 175.7 . 1 1169 593 140 LYS CA C 57.76 . 1 1170 593 140 LYS CB C 31.46 . 1 1171 593 140 LYS N N 124 . 1 1172 594 141 PHE H H 8.476 . 1 1173 594 141 PHE HA H 3.634 . 1 1174 594 141 PHE HB2 H 2.93 . . 1175 594 141 PHE HB3 H 2.7 . . 1176 594 141 PHE C C 177.1 . 1 1177 594 141 PHE CA C 62.73 . 1 1178 594 141 PHE CB C 40.18 . 1 1179 594 141 PHE N N 122 . 1 1180 595 142 LYS H H 8.082 . 1 1181 595 142 LYS HA H 4.256 . 1 1182 595 142 LYS HB2 H 2.21 . . 1183 595 142 LYS HB3 H 1.91 . . 1184 595 142 LYS HD2 H 1.542 . . 1185 595 142 LYS HD3 H 1.542 . . 1186 595 142 LYS HE2 H 3.086 . . 1187 595 142 LYS HE3 H 3.086 . . 1188 595 142 LYS HG2 H 1.99 . . 1189 595 142 LYS HG3 H 1.734 . . 1190 595 142 LYS C C 179.4 . 1 1191 595 142 LYS CA C 59.45 . 1 1192 595 142 LYS CB C 33.1 . 1 1193 595 142 LYS CD C 28.37 . 1 1194 595 142 LYS CE C 42.26 . 1 1195 595 142 LYS CG C 26.35 . 1 1196 595 142 LYS N N 117.8 . 1 1197 596 143 GLU H H 8.094 . 1 1198 596 143 GLU HA H 3.992 . 1 1199 596 143 GLU HB2 H 2.218 . . 1200 596 143 GLU HB3 H 2.246 . . 1201 596 143 GLU HG2 H 2.442 . . 1202 596 143 GLU HG3 H 2.442 . . 1203 596 143 GLU C C 178.1 . 1 1204 596 143 GLU CA C 59.26 . 1 1205 596 143 GLU CB C 29.93 . 1 1206 596 143 GLU CG C 36.23 . 1 1207 596 143 GLU N N 123.1 . 1 1208 597 144 LEU H H 8.061 . 1 1209 597 144 LEU HA H 4.1 . 1 1210 597 144 LEU HB2 H 1.623 . . 1211 597 144 LEU HB3 H 1.623 . . 1212 597 144 LEU HD1 H 1.859 . . 1213 597 144 LEU HD2 H 1.859 . . 1214 597 144 LEU HG H 1.321 . 1 1215 597 144 LEU C C 177.3 . 1 1216 597 144 LEU CA C 55.62 . 1 1217 597 144 LEU CB C 43.18 . 1 1218 597 144 LEU CD1 C 25.8 . 2 1219 597 144 LEU CG C 25.85 . 1 1220 597 144 LEU N N 117.7 . 1 1221 598 145 GLY H H 7.634 . 1 1222 598 145 GLY HA2 H 3.813 . . 1223 598 145 GLY HA3 H 3.813 . . 1224 598 145 GLY C C 173.8 . 1 1225 598 145 GLY CA C 46.29 . 1 1226 598 145 GLY N N 108 . 1 1227 599 146 LEU H H 6.034 . 1 1228 599 146 LEU HA H 4.087 . 1 1229 599 146 LEU HB2 H 0.86 . . 1230 599 146 LEU HB3 H 0.21 . . 1231 599 146 LEU HD1 H 0.68 . . 1232 599 146 LEU HD1 H 1.094 . . 1233 599 146 LEU HD1 H 0.68 . . 1234 599 146 LEU HD2 H 1.094 . . 1235 599 146 LEU HG H 0.7079 . 1 1236 599 146 LEU C C 173.8 . 1 1237 599 146 LEU CA C 53.52 . 1 1238 599 146 LEU CB C 42.74 . 1 1239 599 146 LEU CD1 C 25.7 . 2 1240 599 146 LEU CD2 C 26.95 . 2 1241 599 146 LEU CG C 21.85 . 1 1242 599 146 LEU N N 118.4 . 1 1243 600 147 THR H H 7.586 . 1 1244 600 147 THR HA H 4.467 . 1 1245 600 147 THR HB H 4.163 . 1 1246 600 147 THR HG2 H 1.102 . . 1247 600 147 THR C C 171.5 . 1 1248 600 147 THR CA C 60.14 . 1 1249 600 147 THR CB C 70.27 . 1 1250 600 147 THR CG2 C 21.56 . 1 1251 600 147 THR N N 109.9 . 1 1252 601 148 ALA H H 7.845 . 1 1253 601 148 ALA HA H 4.762 . 1 1254 601 148 ALA HB H 1.113 . . 1255 601 148 ALA CA C 51 . 1 1256 601 148 ALA CB C 20.46 . 1 1257 601 148 ALA N N 124.3 . 1 1258 602 149 PRO HA H 4.12 . 1 1259 602 149 PRO C C 175.2 . 1 1260 602 149 PRO CA C 64.3 . 1 1261 602 149 PRO CB C 29.85 . 1 1262 603 150 GLY H H 8.798 . 1 1263 603 150 GLY HA2 H 3.89 . . 1264 603 150 GLY HA3 H 4.32 . . 1265 603 150 GLY C C 175.8 . 1 1266 603 150 GLY CA C 45.6 . 1 1267 603 150 GLY N N 114.8 . 1 1268 604 151 TRP H H 8.663 . 1 1269 604 151 TRP HA H 4.739 . 1 1270 604 151 TRP HB2 H 3.69 . . 1271 604 151 TRP HB3 H 3.24 . . 1272 604 151 TRP HD1 H 7.47 . 1 1273 604 151 TRP HE1 H 10.3 . 1 1274 604 151 TRP HE3 H 7.5 . 1 1275 604 151 TRP HH2 H 7.212 . 1 1276 604 151 TRP HZ2 H 7.34 . 1 1277 604 151 TRP HZ3 H 6.7 . 1 1278 604 151 TRP C C 175.7 . 1 1279 604 151 TRP CA C 58.77 . 1 1280 604 151 TRP CB C 31.88 . 1 1281 604 151 TRP N N 125.5 . 1 1282 605 152 ASP H H 8.718 . 1 1283 605 152 ASP HA H 4.152 . 1 1284 605 152 ASP HB2 H 2.568 . . 1285 605 152 ASP HB3 H 2.7 . . 1286 605 152 ASP C C 176.9 . 1 1287 605 152 ASP CA C 56.13 . 1 1288 605 152 ASP CB C 39.78 . 1 1289 605 152 ASP N N 119.4 . 1 1290 606 153 GLU H H 7.725 . 1 1291 606 153 GLU HA H 4.101 . 1 1292 606 153 GLU HB2 H 2.101 . . 1293 606 153 GLU HB3 H 2.101 . . 1294 606 153 GLU HG2 H 2.318 . . 1295 606 153 GLU HG3 H 2.318 . . 1296 606 153 GLU C C 176.8 . 1 1297 606 153 GLU CA C 57.97 . 1 1298 606 153 GLU CB C 30.08 . 1 1299 606 153 GLU N N 120 . 1 1300 607 154 VAL H H 7.531 . 1 1301 607 154 VAL HA H 3.756 . 1 1302 607 154 VAL HB H 1.867 . 1 1303 607 154 VAL HG1 H 0.95 . . 1304 607 154 VAL HG1 H 0.74 . . 1305 607 154 VAL HG1 H 0.95 . . 1306 607 154 VAL HG2 H 0.74 . . 1307 607 154 VAL C C 176.9 . 1 1308 607 154 VAL CA C 64.49 . 1 1309 607 154 VAL CB C 31.93 . 1 1310 607 154 VAL CG1 C 21.27 . 2 1311 607 154 VAL CG2 C 21.8 . 2 1312 607 154 VAL N N 120.9 . 1 1313 608 155 VAL H H 7.353 . 1 1314 608 155 VAL HA H 3.738 . 1 1315 608 155 VAL HB H 1.645 . 1 1316 608 155 VAL HG1 H 0.527 . . 1317 608 155 VAL HG1 H 0.58 . . 1318 608 155 VAL HG1 H 0.527 . . 1319 608 155 VAL HG2 H 0.58 . . 1320 608 155 VAL C C 176.2 . 1 1321 608 155 VAL CA C 62.94 . 1 1322 608 155 VAL CB C 32.17 . 1 1323 608 155 VAL CG1 C 20.68 . 2 1324 608 155 VAL CG2 C 22.0 . 2 1325 608 155 VAL N N 117.9 . 1 1326 609 156 GLY H H 7.781 . 1 1327 609 156 GLY HA2 H 3.88 . 2 1328 609 156 GLY HA3 H 3.88 . 2 1329 609 156 GLY C C 173.4 . 1 1330 609 156 GLY CA C 45.64 . 1 1331 609 156 GLY N N 110.5 . 1 1332 610 157 LYS H H 7.832 . 1 1333 610 157 LYS HA H 4.254 . 1 1334 610 157 LYS HB2 H 1.37 . . 1335 610 157 LYS HB3 H 0.09 . . 1336 610 157 LYS HD2 H 1.12 . . 1337 610 157 LYS HD3 H 0.99 . . 1338 610 157 LYS HE2 H 2.96 . . 1339 610 157 LYS HG2 H 1.52 . 2 1340 610 157 LYS HG3 H 1.52 . 2 1341 610 157 LYS C C 176.3 . 1 1342 610 157 LYS CA C 56.41 . 1 1343 610 157 LYS CB C 33.21 . 1 1344 610 157 LYS CD C 28.74 . 1 1345 610 157 LYS CE C 42.11 . 1 1346 610 157 LYS CG C 33.23 . 1 1347 610 157 LYS N N 121.1 . 1 1348 611 158 GLY H H 8.402 . 1 1349 611 158 GLY HA2 H 3.894 . . 1350 611 158 GLY HA3 H 4.7 . . 1351 611 158 GLY C C 173.3 . 1 1352 611 158 GLY CA C 45.38 . 1 1353 611 158 GLY N N 110.7 . 1 1354 612 159 LYS H H 8.131 . 1 1355 612 159 LYS HA H 4.319 . 1 1356 612 159 LYS HB2 H 1.73 . . 1357 612 159 LYS HB3 H 1.83 . . 1358 612 159 LYS HG2 H 1.43 . . 1359 612 159 LYS C C 175.7 . 1 1360 612 159 LYS CA C 56.22 . 1 1361 612 159 LYS CB C 33.36 . 1 1362 612 159 LYS N N 121.8 . 1 1363 613 160 GLU H H 8.466 . 1 1364 613 160 GLU HA H 4.301 . 1 1365 613 160 GLU HB2 H 2.037 . . 1366 613 160 GLU HB3 H 1.907 . . 1367 613 160 GLU HG2 H 2.271 . . 1368 613 160 GLU HG3 H 2.271 . . 1369 613 160 GLU CA C 56.35 . 1 1370 613 160 GLU CB C 30.45 . 1 1371 613 160 GLU CG C 36.17 . 1 1372 613 160 GLU N N 123.3 . 1 1373 615 162 PRO C C 175.1 . 1 1374 615 162 PRO CA C 63.38 . 1 1375 615 162 PRO CB C 32.2 . 1 1376 616 163 SER H H 7.974 . 1 1377 616 163 SER HA H 4.628 . 1 1378 616 163 SER CA C 55.74 . 1 1379 616 163 SER CB C 64.58 . 1 1380 616 163 SER N N 116.9 . 1 stop_ save_