data_16971 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; backbone and sidechain 1H, 13C, and 15N assignments for F-plasmid TraI 381-569 ; _BMRB_accession_number 16971 _BMRB_flat_file_name bmr16971.str _Entry_type original _Submission_date 2010-06-02 _Accession_date 2010-06-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chemical shifts' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wright Nathan T. . 2 Majumdar Ananya . . 3 Schildbach Joel F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 949 "13C chemical shifts" 655 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry ciation' 2011-01-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Chemical shift assignments for F-plasmid TraI (381-569).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20936510 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wright Nathan T. . 2 Majumdar Ananya . . 3 Schildbach Joel F. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 67 _Page_last 70 _Year 2011 _Details . loop_ _Keyword 'bacterial conjugation' RecD 'triple resonance' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TraI 381-569' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TraI 381-569' $TraI_(381-569) stop_ _System_molecular_weight 20000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TraI_(381-569) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TraI_(381-569) _Molecular_mass 20000 _Mol_thiol_state 'not present' loop_ _Biological_function 'part of TraI, a protein involved in cutting, unwinding, and then re-ligating specific plasmid DNA in bacterial conjugation.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 189 _Mol_residue_sequence ; TSGIHVLDELSVRALSRDIM KQNRVTVHPEKSVPRTAGYS DAVSVLAQDRPSLAIVSGQG GAAGQRERVAELVMMAREQG REVQIIAADRRSQMNMKQDE RLSGELITGRRQLLEGMAFT PGSTVIVDQGEKLSLKETLT LLDGAARHNVQVLITDSGQR TGTGSALMAMKDAGVNTYRW QGGEQRPAT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 381 THR 2 382 SER 3 383 GLY 4 384 ILE 5 385 HIS 6 386 VAL 7 387 LEU 8 388 ASP 9 389 GLU 10 390 LEU 11 391 SER 12 392 VAL 13 393 ARG 14 394 ALA 15 395 LEU 16 396 SER 17 397 ARG 18 398 ASP 19 399 ILE 20 400 MET 21 401 LYS 22 402 GLN 23 403 ASN 24 404 ARG 25 405 VAL 26 406 THR 27 407 VAL 28 408 HIS 29 409 PRO 30 410 GLU 31 411 LYS 32 412 SER 33 413 VAL 34 414 PRO 35 415 ARG 36 416 THR 37 417 ALA 38 418 GLY 39 419 TYR 40 420 SER 41 421 ASP 42 422 ALA 43 423 VAL 44 424 SER 45 425 VAL 46 426 LEU 47 427 ALA 48 428 GLN 49 429 ASP 50 430 ARG 51 431 PRO 52 432 SER 53 433 LEU 54 434 ALA 55 435 ILE 56 436 VAL 57 437 SER 58 438 GLY 59 439 GLN 60 440 GLY 61 441 GLY 62 442 ALA 63 443 ALA 64 444 GLY 65 445 GLN 66 446 ARG 67 447 GLU 68 448 ARG 69 449 VAL 70 450 ALA 71 451 GLU 72 452 LEU 73 453 VAL 74 454 MET 75 455 MET 76 456 ALA 77 457 ARG 78 458 GLU 79 459 GLN 80 460 GLY 81 461 ARG 82 462 GLU 83 463 VAL 84 464 GLN 85 465 ILE 86 466 ILE 87 467 ALA 88 468 ALA 89 469 ASP 90 470 ARG 91 471 ARG 92 472 SER 93 473 GLN 94 474 MET 95 475 ASN 96 476 MET 97 477 LYS 98 478 GLN 99 479 ASP 100 480 GLU 101 481 ARG 102 482 LEU 103 483 SER 104 484 GLY 105 485 GLU 106 486 LEU 107 487 ILE 108 488 THR 109 489 GLY 110 490 ARG 111 491 ARG 112 492 GLN 113 493 LEU 114 494 LEU 115 495 GLU 116 496 GLY 117 497 MET 118 498 ALA 119 499 PHE 120 500 THR 121 501 PRO 122 502 GLY 123 503 SER 124 504 THR 125 505 VAL 126 506 ILE 127 507 VAL 128 508 ASP 129 509 GLN 130 510 GLY 131 511 GLU 132 512 LYS 133 513 LEU 134 514 SER 135 515 LEU 136 516 LYS 137 517 GLU 138 518 THR 139 519 LEU 140 520 THR 141 521 LEU 142 522 LEU 143 523 ASP 144 524 GLY 145 525 ALA 146 526 ALA 147 527 ARG 148 528 HIS 149 529 ASN 150 530 VAL 151 531 GLN 152 532 VAL 153 533 LEU 154 534 ILE 155 535 THR 156 536 ASP 157 537 SER 158 538 GLY 159 539 GLN 160 540 ARG 161 541 THR 162 542 GLY 163 543 THR 164 544 GLY 165 545 SER 166 546 ALA 167 547 LEU 168 548 MET 169 549 ALA 170 550 MET 171 551 LYS 172 552 ASP 173 553 ALA 174 554 GLY 175 555 VAL 176 556 ASN 177 557 THR 178 558 TYR 179 559 ARG 180 560 TRP 181 561 GLN 182 562 GLY 183 563 GLY 184 564 GLU 185 565 GLN 186 566 ARG 187 567 PRO 188 568 ALA 189 569 THR 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 2L8B "Trai (381-569)" 100.00 189 100.00 100.00 1.43e-131 DBJ BAA78885 "DNA helicase I [Shigella flexneri 2b]" 100.00 1756 98.41 98.94 3.78e-116 DBJ BAA97974 "traI [Escherichia coli K-12]" 100.00 1756 100.00 100.00 2.90e-118 DBJ BAI28866 "conjugal transfer protein TraI [Escherichia coli O26:H11 str. 11368]" 100.00 1755 99.47 100.00 1.04e-117 DBJ BAI33972 "putative TraI protein [Escherichia coli O103:H2 str. 12009]" 100.00 1755 98.94 100.00 3.32e-117 DBJ BAI39380 "nickase [Escherichia coli O111:H- str. 11128]" 100.00 1756 99.47 100.00 5.37e-118 EMBL CAP07735 "TraI [Escherichia coli]" 100.00 1756 99.47 100.00 9.08e-118 EMBL CAQ87159 "OriT nicking and unwinding protein TraI (DNA helicase I) [Escherichia coli S88]" 100.00 1756 98.94 100.00 2.22e-117 EMBL CAQ87444 "DNA helicase I [Escherichia coli UMN026]" 100.00 1756 98.41 98.94 3.86e-116 EMBL CAS07478 "oriT-specific relaxase; helicase [Escherichia coli O127:H6 str. E2348/69]" 100.00 1756 98.41 99.47 2.08e-116 EMBL CBG27820 "DNA helicase I [Escherichia coli 042]" 100.00 1756 98.41 99.47 2.19e-116 GB AAA98085 "helicase I [Plasmid F]" 100.00 1756 100.00 100.00 2.90e-118 GB AAC44186 "TraI [Escherichia coli]" 100.00 1756 100.00 100.00 2.90e-118 GB AAK18571 "oriT nicking and unwinding protein, fragment [Shigella flexneri 5a str. M90T]" 100.00 1623 98.94 100.00 1.08e-117 GB AAK62053 "w0095 [Escherichia coli]" 100.00 1756 99.47 100.00 6.42e-118 GB AAL72528 "oriT nicking and unwinding protein [Shigella flexneri 2a str. 301]" 100.00 454 97.88 98.94 1.01e-123 REF NP_052981 "DNA helicase I [Shigella flexneri 2b]" 100.00 1756 98.41 98.94 3.78e-116 REF NP_061483 "traI [Escherichia coli K-12]" 100.00 1756 100.00 100.00 2.90e-118 REF NP_085415 "oriT nicking and unwinding protein, fragment [Shigella flexneri 5a str. M90T]" 100.00 1623 98.94 100.00 1.08e-117 REF NP_858381 "oriT nicking and unwinding protein, partial [Shigella flexneri 2a str. 301]" 100.00 454 97.88 98.94 1.01e-123 REF NP_862951 "conjugal transfer nickase/helicase TraI [Escherichia coli]" 100.00 1756 98.94 98.94 5.82e-117 SP P14565 "RecName: Full=Multifunctional conjugation protein TraI; Includes: RecName: Full=DNA relaxase TraI; AltName: Full=DNA nickase Tr" 100.00 1756 100.00 100.00 2.90e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $TraI_(381-569) 'E. coli' 562 Eubacteria . Escherichia coli TraI 'encoded on the F-plasmid, found in many kinds of bacteria' 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 $TraI_(381-569) 'recombinant technology' . Escherichia coli Bl-21 pET-24a 'cut sites: NdeI and EcoRI' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TraI_(381-569) . uM 300 600 '[U-100% 13C; U-100% 15N]' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' TRIS 20 mM . . 'natural abundance' 'sodium chloride' 25 mM . . 'natural abundance' EDTA 1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'with TXI cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'with chillyprobe' 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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 50 . mM pH 7.2 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' '3D HNCA' '3D HN(CO)CA' '3D H(CCO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'TraI 381-569' _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 1 381 1 THR HB H 4.44 0.02 1 2 383 3 GLY HA2 H 3.86 0.02 1 3 383 3 GLY HA3 H 3.96 0.02 1 4 384 4 ILE H H 7.90 0.02 1 5 384 4 ILE HA H 4.10 0.02 1 6 384 4 ILE HB H 1.79 0.02 1 7 384 4 ILE HD1 H 0.80 0.02 1 8 384 4 ILE HG2 H 1.08 0.02 1 9 384 4 ILE C C 175.9 0.1 1 10 384 4 ILE CA C 61.04 0.1 1 11 384 4 ILE CB C 38.58 0.1 1 12 384 4 ILE N N 119.4 0.05 1 13 385 5 HIS HA H 4.62 0.02 1 14 386 6 VAL H H 7.82 0.02 1 15 386 6 VAL HA H 4.30 0.02 1 16 386 6 VAL HB H 2.20 0.02 1 17 386 6 VAL HG1 H 0.93 0.02 1 18 386 6 VAL HG2 H 0.93 0.02 1 19 386 6 VAL C C 175.2 0.1 1 20 386 6 VAL CA C 61.46 0.1 1 21 386 6 VAL CB C 33.09 0.1 1 22 386 6 VAL CG1 C 21.92 0.1 1 23 386 6 VAL CG2 C 21.92 0.1 1 24 386 6 VAL N N 120.0 0.05 1 25 387 7 LEU H H 8.45 0.02 1 26 387 7 LEU N N 130.0 0.05 1 27 389 9 GLU HA H 4.35 0.02 1 28 390 10 LEU H H 7.97 0.02 1 29 390 10 LEU HA H 4.02 0.02 1 30 390 10 LEU HB2 H 1.92 0.02 1 31 390 10 LEU HB3 H 1.92 0.02 1 32 390 10 LEU HD1 H 0.88 0.02 1 33 390 10 LEU HD2 H 0.88 0.02 1 34 390 10 LEU HG H 1.62 0.02 1 35 390 10 LEU C C 180.3 0.1 1 36 390 10 LEU CA C 58.21 0.1 1 37 390 10 LEU CB C 41.09 0.1 1 38 390 10 LEU CG C 27.32 0.1 1 39 390 10 LEU N N 119.9 0.05 1 40 391 11 SER H H 8.21 0.02 1 41 391 11 SER HA H 4.18 0.02 1 42 391 11 SER HB2 H 4.35 0.02 1 43 391 11 SER HB3 H 4.35 0.02 1 44 391 11 SER C C 180.2 0.1 1 45 391 11 SER CA C 61.84 0.1 1 46 391 11 SER CB C 63.19 0.1 1 47 391 11 SER N N 117.3 0.05 1 48 392 12 VAL HA H 3.74 0.02 1 49 392 12 VAL HB H 2.13 0.02 1 50 392 12 VAL HG1 H 0.95 0.02 1 51 392 12 VAL HG2 H 1.32 0.02 1 52 392 12 VAL C C 178.7 0.1 1 53 392 12 VAL CA C 60.24 0.1 1 54 392 12 VAL CB C 29.57 0.1 1 55 392 12 VAL CG1 C 22.01 0.1 1 56 392 12 VAL CG2 C 22.01 0.1 1 57 393 13 ARG H H 7.97 0.02 1 58 393 13 ARG HA H 4.00 0.02 1 59 393 13 ARG HB2 H 1.96 0.02 1 60 393 13 ARG HB3 H 1.96 0.02 1 61 393 13 ARG HG2 H 1.62 0.02 1 62 393 13 ARG HG3 H 1.62 0.02 1 63 393 13 ARG C C 180.3 0.1 1 64 393 13 ARG CB C 29.50 0.1 1 65 393 13 ARG N N 120.2 0.05 1 66 394 14 ALA H H 8.04 0.02 1 67 394 14 ALA HA H 4.00 0.02 1 68 394 14 ALA HB H 1.50 0.02 1 69 394 14 ALA C C 179.4 0.1 1 70 394 14 ALA CA C 55.48 0.1 1 71 394 14 ALA CB C 18.35 0.1 1 72 394 14 ALA N N 121.0 0.05 1 73 395 15 LEU H H 8.31 0.02 1 74 395 15 LEU HA H 4.12 0.02 1 75 395 15 LEU HB2 H 1.75 0.02 1 76 395 15 LEU HB3 H 1.75 0.02 1 77 395 15 LEU HD1 H 0.85 0.02 1 78 395 15 LEU HD2 H 0.85 0.02 1 79 395 15 LEU HG H 1.33 0.02 1 80 395 15 LEU C C 179.4 0.1 1 81 395 15 LEU CA C 57.94 0.1 1 82 395 15 LEU CB C 43.20 0.1 1 83 395 15 LEU N N 118.2 0.05 1 84 396 16 SER H H 7.94 0.02 1 85 396 16 SER HA H 3.58 0.02 1 86 396 16 SER HB2 H 3.37 0.02 1 87 396 16 SER HB3 H 3.37 0.02 1 88 396 16 SER C C 179.4 0.1 1 89 396 16 SER CA C 63.66 0.1 1 90 396 16 SER CB C 63.00 0.1 1 91 396 16 SER N N 114.4 0.05 1 92 397 17 ARG H H 7.72 0.02 1 93 397 17 ARG HA H 3.96 0.02 1 94 397 17 ARG HB2 H 1.95 0.02 1 95 397 17 ARG HB3 H 1.95 0.02 1 96 397 17 ARG HD2 H 3.22 0.02 1 97 397 17 ARG HD3 H 3.22 0.02 1 98 397 17 ARG HG2 H 1.64 0.02 1 99 397 17 ARG HG3 H 1.64 0.02 1 100 397 17 ARG C C 176.2 0.1 1 101 397 17 ARG CA C 59.78 0.1 1 102 397 17 ARG CB C 30.14 0.1 1 103 397 17 ARG CG C 27.60 0.1 1 104 398 18 ASP H H 8.06 0.02 1 105 398 18 ASP HA H 4.41 0.02 1 106 398 18 ASP HB2 H 2.61 0.02 1 107 398 18 ASP HB3 H 2.83 0.02 1 108 398 18 ASP C C 179.0 0.1 1 109 398 18 ASP CA C 57.96 0.1 1 110 398 18 ASP CB C 40.18 0.1 1 111 398 18 ASP N N 120.7 0.05 1 112 399 19 ILE H H 8.48 0.02 1 113 399 19 ILE HA H 3.56 0.02 1 114 399 19 ILE HB H 1.86 0.02 1 115 399 19 ILE HD1 H 0.98 0.02 1 116 399 19 ILE HG12 H 1.57 0.02 1 117 399 19 ILE HG13 H 1.57 0.02 1 118 399 19 ILE HG2 H 0.84 0.02 1 119 399 19 ILE C C 178.7 0.1 1 120 399 19 ILE CA C 65.61 0.1 1 121 399 19 ILE CB C 38.25 0.1 1 122 399 19 ILE CG1 C 30.35 0.1 1 123 399 19 ILE N N 121.3 0.05 1 124 400 20 MET H H 7.89 0.02 1 125 400 20 MET HA H 3.57 0.02 1 126 400 20 MET HB2 H 2.22 0.02 1 127 400 20 MET HB3 H 2.22 0.02 1 128 400 20 MET HG2 H 2.64 0.02 1 129 400 20 MET HG3 H 2.64 0.02 1 130 400 20 MET C C 178.4 0.1 1 131 400 20 MET CA C 58.87 0.1 1 132 400 20 MET CB C 32.92 0.1 1 133 400 20 MET N N 116.5 0.05 1 134 401 21 LYS H H 7.72 0.02 1 135 401 21 LYS HA H 4.16 0.02 1 136 401 21 LYS HB2 H 1.97 0.02 1 137 401 21 LYS HB3 H 1.97 0.02 1 138 401 21 LYS HD2 H 1.68 0.02 1 139 401 21 LYS HD3 H 1.68 0.02 1 140 401 21 LYS HE2 H 2.94 0.02 1 141 401 21 LYS HE3 H 2.94 0.02 1 142 401 21 LYS HG2 H 1.53 0.02 1 143 401 21 LYS HG3 H 1.53 0.02 1 144 401 21 LYS C C 178.1 0.1 1 145 401 21 LYS CA C 58.18 0.1 1 146 401 21 LYS CB C 34.00 0.1 1 147 401 21 LYS N N 115.7 0.05 1 148 402 22 GLN H H 8.30 0.02 1 149 402 22 GLN HA H 4.41 0.02 1 150 402 22 GLN HB2 H 2.11 0.02 1 151 402 22 GLN HB3 H 2.11 0.02 1 152 402 22 GLN HE21 H 6.79 0.02 1 153 402 22 GLN HE22 H 7.41 0.02 1 154 402 22 GLN HG2 H 2.48 0.02 1 155 402 22 GLN HG3 H 2.48 0.02 1 156 402 22 GLN C C 176.6 0.1 1 157 402 22 GLN CA C 56.99 0.1 1 158 402 22 GLN CB C 30.56 0.1 1 159 402 22 GLN CG C 34.06 0.1 1 160 402 22 GLN N N 115.9 0.05 1 161 402 22 GLN NE2 N 110.7 0.05 1 162 403 23 ASN H H 8.26 0.02 1 163 403 23 ASN HA H 4.71 0.02 1 164 403 23 ASN HB2 H 2.79 0.02 1 165 403 23 ASN HB3 H 3.08 0.02 1 166 403 23 ASN C C 175.6 0.1 1 167 403 23 ASN CA C 53.80 0.1 1 168 403 23 ASN CB C 38.20 0.1 1 169 403 23 ASN N N 120.5 0.05 1 170 404 24 ARG H H 8.82 0.02 1 171 404 24 ARG HA H 4.58 0.02 1 172 404 24 ARG HB2 H 1.72 0.02 1 173 404 24 ARG HB3 H 1.72 0.02 1 174 404 24 ARG HD2 H 3.18 0.02 1 175 404 24 ARG HD3 H 3.18 0.02 1 176 404 24 ARG HG2 H 1.56 0.02 1 177 404 24 ARG HG3 H 1.56 0.02 1 178 404 24 ARG C C 175.2 0.1 1 179 404 24 ARG CA C 54.90 0.1 1 180 404 24 ARG CB C 32.91 0.1 1 181 404 24 ARG CG C 26.82 0.1 1 182 404 24 ARG N N 121.2 0.05 1 183 405 25 VAL H H 8.67 0.02 1 184 405 25 VAL HA H 3.88 0.02 1 185 405 25 VAL HB H 1.72 0.02 1 186 405 25 VAL HG1 H 0.88 0.02 1 187 405 25 VAL HG2 H 0.87 0.02 1 188 405 25 VAL C C 175.4 0.1 1 189 405 25 VAL CA C 62.48 0.1 1 190 405 25 VAL CB C 31.76 0.1 1 191 405 25 VAL N N 125.7 0.05 1 192 406 26 THR H H 8.09 0.02 1 193 406 26 THR HA H 5.00 0.02 1 194 406 26 THR HB H 4.31 0.02 1 195 406 26 THR HG2 H 1.67 0.02 1 196 406 26 THR C C 174.9 0.1 1 197 406 26 THR CA C 59.13 0.1 1 198 406 26 THR CB C 64.16 0.1 1 199 406 26 THR N N 127.9 0.05 1 200 407 27 VAL H H 8.99 0.02 1 201 407 27 VAL HA H 4.40 0.02 1 202 407 27 VAL HB H 2.03 0.02 1 203 407 27 VAL HG1 H 0.79 0.02 1 204 407 27 VAL HG2 H 0.79 0.02 1 205 407 27 VAL C C 174.9 0.1 1 206 407 27 VAL CA C 61.50 0.1 1 207 407 27 VAL CB C 33.10 0.1 1 208 407 27 VAL CG1 C 20.44 0.1 1 209 407 27 VAL CG2 C 20.44 0.1 1 210 407 27 VAL N N 126.2 0.05 1 211 408 28 HIS H H 8.34 0.02 1 212 408 28 HIS HA H 5.15 0.02 1 213 408 28 HIS HB2 H 3.50 0.02 1 214 408 28 HIS HB3 H 3.64 0.02 1 215 408 28 HIS CA C 52.88 0.1 1 216 408 28 HIS CB C 29.75 0.1 1 217 408 28 HIS N N 122.8 0.05 1 218 409 29 PRO HA H 4.71 0.02 1 219 409 29 PRO HB2 H 2.40 0.02 1 220 409 29 PRO HB3 H 2.40 0.02 1 221 409 29 PRO HD2 H 3.63 0.02 1 222 409 29 PRO HD3 H 3.63 0.02 1 223 409 29 PRO HG2 H 1.98 0.02 1 224 409 29 PRO HG3 H 1.98 0.02 1 225 409 29 PRO C C 178.8 0.1 1 226 409 29 PRO CA C 65.17 0.1 1 227 409 29 PRO CB C 32.13 0.1 1 228 409 29 PRO CG C 27.39 0.1 1 229 410 30 GLU H H 10.03 0.02 1 230 410 30 GLU HA H 4.29 0.02 1 231 410 30 GLU HB2 H 2.08 0.02 1 232 410 30 GLU HB3 H 2.08 0.02 1 233 410 30 GLU HG2 H 2.49 0.02 1 234 410 30 GLU HG3 H 2.49 0.02 1 235 410 30 GLU C C 176.8 0.1 1 236 410 30 GLU CA C 58.28 0.1 1 237 410 30 GLU CB C 27.86 0.1 1 238 410 30 GLU CG C 36.07 0.1 1 239 410 30 GLU N N 118.4 0.05 1 240 411 31 LYS H H 7.78 0.02 1 241 411 31 LYS HA H 4.56 0.02 1 242 411 31 LYS HB2 H 1.83 0.02 1 243 411 31 LYS HB3 H 1.83 0.02 1 244 411 31 LYS HD2 H 1.62 0.02 1 245 411 31 LYS HD3 H 1.62 0.02 1 246 411 31 LYS HE2 H 2.94 0.02 1 247 411 31 LYS HE3 H 2.94 0.02 1 248 411 31 LYS HG2 H 1.37 0.02 1 249 411 31 LYS HG3 H 1.37 0.02 1 250 411 31 LYS C C 175.6 0.1 1 251 411 31 LYS CA C 54.87 0.1 1 252 411 31 LYS CB C 33.29 0.1 1 253 411 31 LYS CE C 42.00 0.1 1 254 411 31 LYS CG C 25.19 0.1 1 255 411 31 LYS N N 119.0 0.05 1 256 412 32 SER H H 7.15 0.02 1 257 412 32 SER HA H 3.94 0.02 1 258 412 32 SER HB2 H 3.74 0.02 1 259 412 32 SER HB3 H 3.74 0.02 1 260 412 32 SER C C 174.8 0.1 1 261 412 32 SER CA C 59.45 0.1 1 262 412 32 SER CB C 64.67 0.1 1 263 412 32 SER N N 114.1 0.05 1 264 413 33 VAL H H 7.86 0.02 1 265 413 33 VAL HA H 4.49 0.02 1 266 413 33 VAL HB H 1.82 0.02 1 267 413 33 VAL HG1 H 0.97 0.02 1 268 413 33 VAL HG2 H 0.97 0.02 1 269 413 33 VAL C C 174.0 0.1 1 270 413 33 VAL CB C 33.32 0.1 1 271 413 33 VAL N N 129.5 0.05 1 272 414 34 PRO HA H 4.68 0.02 1 273 414 34 PRO HB2 H 2.29 0.02 1 274 414 34 PRO HB3 H 2.29 0.02 1 275 414 34 PRO HD2 H 3.68 0.02 1 276 414 34 PRO HD3 H 3.68 0.02 1 277 414 34 PRO HG2 H 2.00 0.02 1 278 414 34 PRO HG3 H 2.00 0.02 1 279 414 34 PRO C C 176.8 0.1 1 280 414 34 PRO CA C 63.10 0.1 1 281 414 34 PRO CB C 32.28 0.1 1 282 415 35 ARG H H 8.25 0.02 1 283 415 35 ARG HA H 4.39 0.02 1 284 415 35 ARG HB2 H 2.00 0.02 1 285 415 35 ARG HB3 H 2.00 0.02 1 286 415 35 ARG HD2 H 2.76 0.02 1 287 415 35 ARG HD3 H 2.76 0.02 1 288 415 35 ARG HG2 H 1.76 0.02 1 289 415 35 ARG HG3 H 1.76 0.02 1 290 415 35 ARG C C 176.6 0.1 1 291 415 35 ARG CA C 56.08 0.1 1 292 415 35 ARG CB C 30.26 0.1 1 293 415 35 ARG CG C 26.53 0.1 1 294 416 36 THR H H 7.84 0.02 1 295 416 36 THR HA H 4.37 0.02 1 296 416 36 THR HB H 4.36 0.02 1 297 416 36 THR HG2 H 1.15 0.02 1 298 416 36 THR C C 173.6 0.1 1 299 416 36 THR CA C 61.28 0.1 1 300 416 36 THR CB C 69.31 0.1 1 301 416 36 THR CG2 C 21.80 0.1 1 302 416 36 THR N N 111.8 0.05 1 303 417 37 ALA H H 7.56 0.02 1 304 417 37 ALA HA H 4.35 0.02 1 305 417 37 ALA HB H 1.32 0.02 1 306 417 37 ALA C C 175.6 0.1 1 307 417 37 ALA CA C 50.99 0.1 1 308 417 37 ALA CB C 21.68 0.1 1 309 417 37 ALA N N 124.3 0.05 1 310 418 38 GLY H H 8.04 0.02 1 311 418 38 GLY HA2 H 3.55 0.02 1 312 418 38 GLY HA3 H 3.82 0.02 1 313 418 38 GLY C C 173.6 0.1 1 314 418 38 GLY CA C 44.53 0.1 1 315 418 38 GLY N N 104.1 0.05 1 316 419 39 TYR H H 7.89 0.02 1 317 419 39 TYR HA H 4.88 0.02 1 318 419 39 TYR HB2 H 2.75 0.02 1 319 419 39 TYR HB3 H 3.30 0.02 1 320 419 39 TYR C C 177.9 0.1 1 321 419 39 TYR CA C 55.93 0.1 1 322 419 39 TYR CB C 41.16 0.1 1 323 419 39 TYR N N 117.5 0.05 1 324 420 40 SER H H 9.63 0.02 1 325 420 40 SER HA H 4.27 0.02 1 326 420 40 SER HB2 H 4.05 0.02 1 327 420 40 SER HB3 H 4.05 0.02 1 328 420 40 SER C C 175.3 0.1 1 329 420 40 SER CA C 58.78 0.1 1 330 420 40 SER CB C 64.46 0.1 1 331 420 40 SER N N 117.7 0.05 1 332 421 41 ASP H H 8.82 0.02 1 333 421 41 ASP HA H 4.35 0.02 1 334 421 41 ASP HB2 H 2.68 0.02 1 335 421 41 ASP HB3 H 2.68 0.02 1 336 421 41 ASP C C 178.6 0.1 1 337 421 41 ASP CA C 58.14 0.1 1 338 421 41 ASP CB C 40.18 0.1 1 339 421 41 ASP N N 122.8 0.05 1 340 422 42 ALA H H 8.47 0.02 1 341 422 42 ALA HA H 4.24 0.02 1 342 422 42 ALA HB H 1.37 0.02 1 343 422 42 ALA C C 178.8 0.1 1 344 422 42 ALA CA C 55.16 0.1 1 345 422 42 ALA CB C 19.02 0.1 1 346 422 42 ALA N N 119.0 0.05 1 347 423 43 VAL H H 7.43 0.02 1 348 423 43 VAL HA H 3.42 0.02 1 349 423 43 VAL HB H 2.13 0.02 1 350 423 43 VAL HG1 H 0.90 0.02 1 351 423 43 VAL HG2 H 0.51 0.02 1 352 423 43 VAL C C 176.5 0.1 1 353 423 43 VAL CA C 65.67 0.1 1 354 423 43 VAL CB C 31.10 0.1 1 355 423 43 VAL CG1 C 24.04 0.1 1 356 423 43 VAL CG2 C 24.04 0.1 1 357 423 43 VAL N N 116.0 0.05 1 358 424 44 SER H H 8.35 0.02 1 359 424 44 SER HA H 3.97 0.02 1 360 424 44 SER HB2 H 4.03 0.02 1 361 424 44 SER HB3 H 4.03 0.02 1 362 424 44 SER C C 175.4 0.1 1 363 424 44 SER CA C 62.23 0.1 1 364 424 44 SER CB C 63.05 0.1 1 365 424 44 SER N N 116.7 0.05 1 366 425 45 VAL H H 7.65 0.02 1 367 425 45 VAL HA H 3.75 0.02 1 368 425 45 VAL HB H 2.22 0.02 1 369 425 45 VAL HG1 H 1.16 0.02 1 370 425 45 VAL HG2 H 1.16 0.02 1 371 425 45 VAL C C 177.9 0.1 1 372 425 45 VAL CA C 66.35 0.1 1 373 425 45 VAL CB C 31.66 0.1 1 374 425 45 VAL CG1 C 22.85 0.1 1 375 425 45 VAL CG2 C 22.85 0.1 1 376 425 45 VAL N N 121.0 0.05 1 377 426 46 LEU H H 7.72 0.02 1 378 426 46 LEU HA H 3.45 0.02 1 379 426 46 LEU HB2 H 1.38 0.02 1 380 426 46 LEU HB3 H 1.38 0.02 1 381 426 46 LEU HD1 H 0.36 0.02 1 382 426 46 LEU HD2 H 0.14 0.02 1 383 426 46 LEU C C 179.0 0.1 1 384 426 46 LEU CA C 59.39 0.1 1 385 426 46 LEU CB C 41.82 0.1 1 386 426 46 LEU CG C 27.01 0.1 1 387 426 46 LEU N N 123.9 0.05 1 388 427 47 ALA H H 8.62 0.02 1 389 427 47 ALA HA H 3.79 0.02 1 390 427 47 ALA HB H 1.24 0.02 1 391 427 47 ALA C C 179.0 0.1 1 392 427 47 ALA CA C 55.26 0.1 1 393 427 47 ALA CB C 18.13 0.1 1 394 427 47 ALA N N 120.4 0.05 1 395 428 48 GLN H H 7.21 0.02 1 396 428 48 GLN HA H 4.10 0.02 1 397 428 48 GLN HB2 H 2.21 0.02 1 398 428 48 GLN HB3 H 2.21 0.02 1 399 428 48 GLN HG2 H 2.47 0.02 1 400 428 48 GLN HG3 H 2.47 0.02 1 401 428 48 GLN C C 177.6 0.1 1 402 428 48 GLN CA C 57.58 0.1 1 403 428 48 GLN CB C 29.32 0.1 1 404 428 48 GLN CG C 33.89 0.1 1 405 428 48 GLN N N 115.7 0.05 1 406 429 49 ASP H H 8.60 0.02 1 407 429 49 ASP HA H 4.29 0.02 1 408 429 49 ASP HB2 H 2.60 0.02 1 409 429 49 ASP HB3 H 2.76 0.02 1 410 429 49 ASP C C 176.7 0.1 1 411 429 49 ASP CA C 56.58 0.1 1 412 429 49 ASP CB C 41.17 0.1 1 413 429 49 ASP N N 120.3 0.05 1 414 430 50 ARG H H 8.23 0.02 1 415 430 50 ARG HA H 3.96 0.02 1 416 430 50 ARG HB2 H 1.88 0.02 1 417 430 50 ARG HB3 H 1.88 0.02 1 418 430 50 ARG HD2 H 3.34 0.02 1 419 430 50 ARG HD3 H 3.34 0.02 1 420 430 50 ARG HG2 H 1.64 0.02 1 421 430 50 ARG HG3 H 1.64 0.02 1 422 430 50 ARG C C 171.7 0.1 1 423 430 50 ARG CA C 56.35 0.1 1 424 430 50 ARG CB C 29.35 0.1 1 425 430 50 ARG CD C 42.00 0.1 1 426 430 50 ARG CG C 25.50 0.1 1 427 431 51 PRO HA H 4.67 0.02 1 428 431 51 PRO HB2 H 2.05 0.02 1 429 431 51 PRO HB3 H 2.05 0.02 1 430 431 51 PRO HG2 H 2.30 0.02 1 431 431 51 PRO HG3 H 2.30 0.02 1 432 431 51 PRO C C 177.3 0.1 1 433 431 51 PRO CA C 62.79 0.1 1 434 431 51 PRO CB C 31.49 0.1 1 435 431 51 PRO CG C 27.72 0.1 1 436 432 52 SER H H 8.94 0.02 1 437 432 52 SER HA H 3.71 0.02 1 438 432 52 SER HB2 H 3.93 0.02 1 439 432 52 SER HB3 H 3.93 0.02 1 440 432 52 SER C C 172.5 0.1 1 441 432 52 SER CA C 60.56 0.1 1 442 432 52 SER CB C 63.99 0.1 1 443 432 52 SER N N 115.5 0.05 1 444 433 53 LEU H H 7.04 0.02 1 445 433 53 LEU HA H 5.44 0.02 1 446 433 53 LEU HB2 H 2.04 0.02 1 447 433 53 LEU HB3 H 2.04 0.02 1 448 433 53 LEU HD1 H 0.91 0.02 1 449 433 53 LEU HD2 H 0.69 0.02 1 450 433 53 LEU HG H 1.51 0.02 1 451 433 53 LEU C C 174.8 0.1 1 452 433 53 LEU CA C 53.63 0.1 1 453 433 53 LEU CB C 46.54 0.1 1 454 433 53 LEU CD1 C 19.19 0.1 1 455 433 53 LEU CD2 C 17.13 0.1 1 456 433 53 LEU CG C 26.30 0.1 1 457 433 53 LEU N N 119.8 0.05 1 458 434 54 ALA H H 8.25 0.02 1 459 434 54 ALA HA H 4.82 0.02 1 460 434 54 ALA HB H 1.37 0.02 1 461 434 54 ALA C C 174.2 0.1 1 462 434 54 ALA CA C 51.84 0.1 1 463 434 54 ALA CB C 23.64 0.1 1 464 434 54 ALA N N 122.8 0.05 1 465 435 55 ILE H H 8.37 0.02 1 466 435 55 ILE HA H 5.13 0.02 1 467 435 55 ILE HB H 1.82 0.02 1 468 435 55 ILE HD1 H 0.75 0.02 1 469 435 55 ILE HG12 H 1.38 0.02 1 470 435 55 ILE HG13 H 1.38 0.02 1 471 435 55 ILE HG2 H 0.85 0.02 1 472 435 55 ILE C C 175.0 0.1 1 473 435 55 ILE CA C 59.51 0.1 1 474 435 55 ILE CB C 40.33 0.1 1 475 435 55 ILE CD1 C 15.50 0.1 1 476 435 55 ILE CG1 C 28.22 0.1 1 477 435 55 ILE CG2 C 19.52 0.1 1 478 435 55 ILE N N 120.6 0.05 1 479 436 56 VAL H H 9.09 0.02 1 480 436 56 VAL HA H 5.10 0.02 1 481 436 56 VAL HB H 1.75 0.02 1 482 436 56 VAL HG1 H 0.73 0.02 1 483 436 56 VAL HG2 H 1.05 0.02 1 484 436 56 VAL C C 175.1 0.1 1 485 436 56 VAL CA C 60.77 0.1 1 486 436 56 VAL CB C 33.35 0.1 1 487 436 56 VAL CG1 C 21.02 0.1 1 488 436 56 VAL CG2 C 21.59 0.1 1 489 436 56 VAL N N 127.6 0.05 1 490 437 57 SER H H 8.91 0.02 1 491 437 57 SER HA H 5.54 0.02 1 492 437 57 SER HB2 H 3.82 0.02 1 493 437 57 SER HB3 H 3.82 0.02 1 494 437 57 SER C C 174.0 0.1 1 495 437 57 SER CA C 56.56 0.1 1 496 437 57 SER CB C 66.11 0.1 1 497 437 57 SER N N 123.2 0.05 1 498 438 58 GLY H H 8.26 0.02 1 499 438 58 GLY HA2 H 4.32 0.02 1 500 438 58 GLY HA3 H 4.32 0.02 1 501 438 58 GLY C C 171.5 0.1 1 502 438 58 GLY CA C 46.11 0.1 1 503 438 58 GLY N N 108.8 0.05 1 504 439 59 GLN H H 8.50 0.02 1 505 439 59 GLN HA H 4.40 0.02 1 506 439 59 GLN HB2 H 2.02 0.02 1 507 439 59 GLN HB3 H 2.02 0.02 1 508 439 59 GLN HE21 H 6.87 0.02 1 509 439 59 GLN HE22 H 7.77 0.02 1 510 439 59 GLN HG2 H 2.39 0.02 1 511 439 59 GLN HG3 H 2.39 0.02 1 512 439 59 GLN C C 176.8 0.1 1 513 439 59 GLN CA C 54.82 0.1 1 514 439 59 GLN CB C 29.34 0.1 1 515 439 59 GLN CG C 33.80 0.1 1 516 439 59 GLN N N 117.8 0.05 1 517 439 59 GLN NE2 N 112.4 0.05 1 518 442 62 ALA HA H 4.29 0.02 1 519 442 62 ALA HB H 1.37 0.02 1 520 442 62 ALA C C 177.4 0.1 1 521 442 62 ALA CA C 52.63 0.1 1 522 442 62 ALA CB C 19.10 0.1 1 523 443 63 ALA H H 8.05 0.02 1 524 443 63 ALA HA H 4.11 0.02 1 525 443 63 ALA HB H 1.51 0.02 1 526 443 63 ALA C C 180.3 0.1 1 527 443 63 ALA CA C 55.45 0.1 1 528 443 63 ALA CB C 18.30 0.1 1 529 443 63 ALA N N 120.8 0.05 1 530 444 64 GLY H H 7.78 0.02 1 531 444 64 GLY HA2 H 3.88 0.02 1 532 444 64 GLY HA3 H 3.88 0.02 1 533 444 64 GLY C C 175.1 0.1 1 534 444 64 GLY CA C 46.71 0.1 1 535 444 64 GLY N N 107.1 0.05 1 536 445 65 GLN H H 7.67 0.02 1 537 445 65 GLN HA H 3.88 0.02 1 538 445 65 GLN HB2 H 2.03 0.02 1 539 445 65 GLN HB3 H 2.03 0.02 1 540 445 65 GLN HE21 H 6.81 0.02 1 541 445 65 GLN HE22 H 7.48 0.02 1 542 445 65 GLN HG2 H 2.35 0.02 1 543 445 65 GLN HG3 H 2.35 0.02 1 544 445 65 GLN C C 178.0 0.1 1 545 445 65 GLN CA C 58.07 0.1 1 546 445 65 GLN CB C 27.97 0.1 1 547 445 65 GLN CG C 33.05 0.1 1 548 445 65 GLN N N 120.4 0.05 1 549 445 65 GLN NE2 N 112.1 0.05 1 550 446 66 ARG H H 7.71 0.02 1 551 446 66 ARG HA H 3.94 0.02 1 552 446 66 ARG HB2 H 1.91 0.02 1 553 446 66 ARG HB3 H 1.91 0.02 1 554 446 66 ARG HD2 H 3.31 0.02 1 555 446 66 ARG HD3 H 3.31 0.02 1 556 446 66 ARG HG2 H 1.75 0.02 1 557 446 66 ARG HG3 H 1.75 0.02 1 558 446 66 ARG C C 178.0 0.1 1 559 446 66 ARG CA C 59.54 0.1 1 560 446 66 ARG CB C 29.89 0.1 1 561 446 66 ARG CD C 43.36 0.1 1 562 446 66 ARG CG C 27.65 0.1 1 563 446 66 ARG N N 118.2 0.05 1 564 447 67 GLU H H 7.98 0.02 1 565 447 67 GLU HA H 3.95 0.02 1 566 447 67 GLU HB2 H 2.25 0.02 1 567 447 67 GLU HB3 H 2.25 0.02 1 568 447 67 GLU HG2 H 2.57 0.02 1 569 447 67 GLU HG3 H 2.57 0.02 1 570 447 67 GLU C C 178.9 0.1 1 571 447 67 GLU CA C 59.19 0.1 1 572 447 67 GLU CB C 29.47 0.1 1 573 447 67 GLU CG C 36.11 0.1 1 574 447 67 GLU N N 118.2 0.05 1 575 448 68 ARG H H 7.63 0.02 1 576 448 68 ARG HA H 3.34 0.02 1 577 448 68 ARG HB2 H 2.18 0.02 1 578 448 68 ARG HB3 H 2.18 0.02 1 579 448 68 ARG HD2 H 3.25 0.02 1 580 448 68 ARG HD3 H 3.25 0.02 1 581 448 68 ARG HG2 H 2.06 0.02 1 582 448 68 ARG HG3 H 2.06 0.02 1 583 448 68 ARG C C 177.8 0.1 1 584 448 68 ARG CA C 60.03 0.1 1 585 448 68 ARG CB C 30.71 0.1 1 586 448 68 ARG CD C 44.04 0.1 1 587 448 68 ARG CG C 27.70 0.1 1 588 448 68 ARG N N 117.6 0.05 1 589 449 69 VAL H H 7.44 0.02 1 590 449 69 VAL HA H 3.29 0.02 1 591 449 69 VAL HB H 2.06 0.02 1 592 449 69 VAL HG1 H 1.34 0.02 1 593 449 69 VAL HG2 H 0.90 0.02 1 594 449 69 VAL C C 177.2 0.1 1 595 449 69 VAL CA C 67.76 0.1 1 596 449 69 VAL CB C 31.23 0.1 1 597 449 69 VAL CG1 C 23.32 0.1 1 598 449 69 VAL CG2 C 23.32 0.1 1 599 449 69 VAL N N 116.4 0.05 1 600 450 70 ALA H H 8.37 0.02 1 601 450 70 ALA HA H 3.85 0.02 1 602 450 70 ALA HB H 1.37 0.02 1 603 450 70 ALA C C 180.2 0.1 1 604 450 70 ALA CA C 56.02 0.1 1 605 450 70 ALA CB C 17.04 0.1 1 606 450 70 ALA N N 119.8 0.05 1 607 451 71 GLU H H 8.36 0.02 1 608 451 71 GLU HA H 4.11 0.02 1 609 451 71 GLU HB2 H 2.33 0.02 1 610 451 71 GLU HB3 H 2.33 0.02 1 611 451 71 GLU HG2 H 2.88 0.02 1 612 451 71 GLU HG3 H 2.88 0.02 1 613 451 71 GLU C C 178.4 0.1 1 614 451 71 GLU CA C 60.77 0.1 1 615 451 71 GLU CB C 31.18 0.1 1 616 451 71 GLU CG C 36.15 0.1 1 617 451 71 GLU N N 118.8 0.05 1 618 452 72 LEU H H 7.70 0.02 1 619 452 72 LEU HA H 3.95 0.02 1 620 452 72 LEU HB2 H 2.01 0.02 1 621 452 72 LEU HB3 H 2.01 0.02 1 622 452 72 LEU HD1 H 0.58 0.02 1 623 452 72 LEU HD2 H 1.06 0.02 1 624 452 72 LEU HG H 1.90 0.02 1 625 452 72 LEU C C 178.8 0.1 1 626 452 72 LEU CA C 57.76 0.1 1 627 452 72 LEU CB C 41.83 0.1 1 628 452 72 LEU CG C 26.04 0.1 1 629 452 72 LEU N N 118.0 0.05 1 630 453 73 VAL H H 8.33 0.02 1 631 453 73 VAL HA H 3.37 0.02 1 632 453 73 VAL HB H 2.12 0.02 1 633 453 73 VAL HG1 H 0.90 0.02 1 634 453 73 VAL HG2 H 0.71 0.02 1 635 453 73 VAL C C 177.0 0.1 1 636 453 73 VAL CA C 67.06 0.1 1 637 453 73 VAL CB C 31.61 0.1 1 638 453 73 VAL CG1 C 24.59 0.1 1 639 453 73 VAL CG2 C 21.64 0.1 1 640 453 73 VAL N N 120.0 0.05 1 641 454 74 MET H H 8.05 0.02 1 642 454 74 MET HA H 4.15 0.02 1 643 454 74 MET HB2 H 2.33 0.02 1 644 454 74 MET HB3 H 2.33 0.02 1 645 454 74 MET HG2 H 2.53 0.02 1 646 454 74 MET HG3 H 2.53 0.02 1 647 454 74 MET C C 178.6 0.1 1 648 454 74 MET CA C 59.78 0.1 1 649 454 74 MET CB C 33.22 0.1 1 650 454 74 MET CG C 33.00 0.1 1 651 454 74 MET N N 119.0 0.05 1 652 455 75 MET H H 7.76 0.02 1 653 455 75 MET HA H 4.31 0.02 1 654 455 75 MET HB2 H 1.99 0.02 1 655 455 75 MET HB3 H 1.99 0.02 1 656 455 75 MET HG2 H 2.14 0.02 1 657 455 75 MET HG3 H 2.14 0.02 1 658 455 75 MET C C 178.1 0.1 1 659 455 75 MET CA C 58.22 0.1 1 660 455 75 MET CB C 33.47 0.1 1 661 455 75 MET N N 117.1 0.05 1 662 456 76 ALA H H 8.13 0.02 1 663 456 76 ALA HA H 4.04 0.02 1 664 456 76 ALA HB H 1.30 0.02 1 665 456 76 ALA C C 180.4 0.1 1 666 456 76 ALA CA C 55.60 0.1 1 667 456 76 ALA CB C 17.68 0.1 1 668 456 76 ALA N N 122.8 0.05 1 669 457 77 ARG H H 8.71 0.02 1 670 457 77 ARG HA H 4.31 0.02 1 671 457 77 ARG HB2 H 2.04 0.02 1 672 457 77 ARG HB3 H 2.04 0.02 1 673 457 77 ARG HD2 H 3.22 0.02 1 674 457 77 ARG HD3 H 3.22 0.02 1 675 457 77 ARG HG2 H 1.81 0.02 1 676 457 77 ARG HG3 H 1.81 0.02 1 677 457 77 ARG C C 182.3 0.1 1 678 457 77 ARG CA C 58.67 0.1 1 679 457 77 ARG CB C 29.07 0.1 1 680 457 77 ARG CD C 41.80 0.1 1 681 457 77 ARG CG C 27.15 0.1 1 682 457 77 ARG N N 115.4 0.05 1 683 458 78 GLU H H 8.75 0.02 1 684 458 78 GLU HA H 4.46 0.02 1 685 458 78 GLU HB2 H 2.24 0.02 1 686 458 78 GLU HB3 H 2.24 0.02 1 687 458 78 GLU HG2 H 2.48 0.02 1 688 458 78 GLU HG3 H 2.48 0.02 1 689 458 78 GLU C C 179.3 0.1 1 690 458 78 GLU CA C 59.05 0.1 1 691 458 78 GLU CB C 29.08 0.1 1 692 458 78 GLU CG C 37.55 0.1 1 693 458 78 GLU N N 117.5 0.05 1 694 459 79 GLN H H 7.88 0.02 1 695 459 79 GLN HA H 4.22 0.02 1 696 459 79 GLN HB2 H 1.84 0.02 1 697 459 79 GLN HB3 H 1.84 0.02 1 698 459 79 GLN HE21 H 6.90 0.02 1 699 459 79 GLN HE22 H 7.54 0.02 1 700 459 79 GLN HG2 H 2.18 0.02 1 701 459 79 GLN HG3 H 2.18 0.02 1 702 459 79 GLN C C 174.7 0.1 1 703 459 79 GLN CA C 56.33 0.1 1 704 459 79 GLN CB C 27.73 0.1 1 705 459 79 GLN N N 117.5 0.05 1 706 459 79 GLN NE2 N 113.0 0.05 1 707 460 80 GLY H H 7.91 0.02 1 708 460 80 GLY HA2 H 3.63 0.02 1 709 460 80 GLY HA3 H 4.30 0.02 1 710 460 80 GLY C C 173.5 0.1 1 711 460 80 GLY CA C 46.22 0.1 1 712 460 80 GLY N N 108.6 0.05 1 713 461 81 ARG H H 7.95 0.02 1 714 461 81 ARG HA H 4.59 0.02 1 715 461 81 ARG HB2 H 1.71 0.02 1 716 461 81 ARG HB3 H 1.71 0.02 1 717 461 81 ARG HD2 H 3.28 0.02 1 718 461 81 ARG HD3 H 3.28 0.02 1 719 461 81 ARG HG2 H 1.86 0.02 1 720 461 81 ARG HG3 H 1.86 0.02 1 721 461 81 ARG C C 175.7 0.1 1 722 461 81 ARG CA C 55.19 0.1 1 723 461 81 ARG CB C 32.88 0.1 1 724 461 81 ARG CD C 43.50 0.1 1 725 461 81 ARG CG C 27.71 0.1 1 726 461 81 ARG N N 117.8 0.05 1 727 462 82 GLU H H 8.31 0.02 1 728 462 82 GLU HA H 4.28 0.02 1 729 462 82 GLU HB2 H 1.71 0.02 1 730 462 82 GLU HB3 H 1.71 0.02 1 731 462 82 GLU HG2 H 2.29 0.02 1 732 462 82 GLU HG3 H 2.29 0.02 1 733 462 82 GLU C C 175.6 0.1 1 734 462 82 GLU CA C 55.98 0.1 1 735 462 82 GLU CB C 30.49 0.1 1 736 462 82 GLU CG C 36.73 0.1 1 737 462 82 GLU N N 119.6 0.05 1 738 463 83 VAL H H 8.08 0.02 1 739 463 83 VAL HA H 5.49 0.02 1 740 463 83 VAL HB H 1.84 0.02 1 741 463 83 VAL HG1 H 0.86 0.02 1 742 463 83 VAL HG2 H 0.86 0.02 1 743 463 83 VAL C C 175.3 0.1 1 744 463 83 VAL CA C 59.66 0.1 1 745 463 83 VAL CB C 35.97 0.1 1 746 463 83 VAL CG1 C 21.83 0.1 1 747 463 83 VAL CG2 C 22.70 0.1 1 748 463 83 VAL N N 118.1 0.05 1 749 464 84 GLN H H 8.49 0.02 1 750 464 84 GLN HA H 4.86 0.02 1 751 464 84 GLN HB2 H 1.88 0.02 1 752 464 84 GLN HB3 H 1.88 0.02 1 753 464 84 GLN HE21 H 6.72 0.02 1 754 464 84 GLN HE22 H 7.16 0.02 1 755 464 84 GLN HG2 H 2.07 0.02 1 756 464 84 GLN HG3 H 2.07 0.02 1 757 464 84 GLN C C 173.4 0.1 1 758 464 84 GLN CA C 55.11 0.1 1 759 464 84 GLN CB C 29.80 0.1 1 760 464 84 GLN CG C 33.63 0.1 1 761 464 84 GLN N N 125.2 0.05 1 762 464 84 GLN NE2 N 109.2 0.05 1 763 465 85 ILE H H 8.98 0.02 1 764 465 85 ILE HA H 4.95 0.02 1 765 465 85 ILE HB H 1.82 0.02 1 766 465 85 ILE HD1 H 0.75 0.02 1 767 465 85 ILE HG12 H 1.51 0.02 1 768 465 85 ILE HG13 H 1.51 0.02 1 769 465 85 ILE HG2 H 0.88 0.02 1 770 465 85 ILE C C 174.5 0.1 1 771 465 85 ILE CA C 60.08 0.1 1 772 465 85 ILE CB C 40.78 0.1 1 773 465 85 ILE CD1 C 15.00 0.1 1 774 465 85 ILE CG1 C 28.57 0.1 1 775 465 85 ILE CG2 C 20.00 0.1 1 776 465 85 ILE N N 125.5 0.05 1 777 466 86 ILE H H 9.02 0.02 1 778 466 86 ILE HA H 4.54 0.02 1 779 466 86 ILE HB H 1.76 0.02 1 780 466 86 ILE HD1 H 0.65 0.02 1 781 466 86 ILE HG12 H 1.27 0.02 1 782 466 86 ILE HG13 H 1.27 0.02 1 783 466 86 ILE HG2 H 0.98 0.02 1 784 466 86 ILE C C 175.4 0.1 1 785 466 86 ILE CA C 59.23 0.1 1 786 466 86 ILE CB C 38.09 0.1 1 787 466 86 ILE CD1 C 14.50 0.1 1 788 466 86 ILE CG1 C 26.52 0.1 1 789 466 86 ILE CG2 C 17.20 0.1 1 790 466 86 ILE N N 126.0 0.05 1 791 467 87 ALA H H 8.99 0.02 1 792 467 87 ALA HA H 4.39 0.02 1 793 467 87 ALA HB H 1.31 0.02 1 794 467 87 ALA C C 177.5 0.1 1 795 467 87 ALA CA C 51.49 0.1 1 796 467 87 ALA CB C 20.50 0.1 1 797 467 87 ALA N N 130.0 0.05 1 798 468 88 ALA H H 9.31 0.02 1 799 468 88 ALA HA H 3.93 0.02 1 800 468 88 ALA HB H 1.30 0.02 1 801 468 88 ALA CA C 54.90 0.1 1 802 468 88 ALA CB C 20.00 0.1 1 803 468 88 ALA N N 122.9 0.05 1 804 469 89 ASP HA H 4.57 0.02 1 805 469 89 ASP HB2 H 2.26 0.02 1 806 469 89 ASP HB3 H 2.53 0.02 1 807 469 89 ASP C C 178.6 0.1 1 808 469 89 ASP CA C 59.76 0.1 1 809 469 89 ASP CB C 41.26 0.1 1 810 470 90 ARG H H 8.29 0.02 1 811 470 90 ARG HA H 3.96 0.02 1 812 470 90 ARG HB2 H 1.79 0.02 1 813 470 90 ARG HB3 H 1.79 0.02 1 814 470 90 ARG HD2 H 3.21 0.02 1 815 470 90 ARG HD3 H 3.21 0.02 1 816 470 90 ARG HG2 H 1.65 0.02 1 817 470 90 ARG HG3 H 1.65 0.02 1 818 470 90 ARG C C 177.9 0.1 1 819 470 90 ARG CA C 58.51 0.1 1 820 470 90 ARG CB C 29.80 0.1 1 821 470 90 ARG CD C 43.00 0.1 1 822 470 90 ARG CG C 27.65 0.1 1 823 470 90 ARG N N 120.7 0.05 1 824 471 91 ARG H H 8.23 0.02 1 825 471 91 ARG HA H 4.04 0.02 1 826 471 91 ARG HB2 H 1.85 0.02 1 827 471 91 ARG HB3 H 1.85 0.02 1 828 471 91 ARG HD2 H 3.22 0.02 1 829 471 91 ARG HD3 H 3.22 0.02 1 830 471 91 ARG HG2 H 1.65 0.02 1 831 471 91 ARG HG3 H 1.65 0.02 1 832 471 91 ARG C C 178.9 0.1 1 833 471 91 ARG CA C 59.19 0.1 1 834 471 91 ARG CB C 29.50 0.1 1 835 471 91 ARG CG C 26.76 0.1 1 836 471 91 ARG N N 120.7 0.05 1 837 472 92 SER H H 8.71 0.02 1 838 472 92 SER HA H 3.97 0.02 1 839 472 92 SER HB2 H 4.29 0.02 1 840 472 92 SER HB3 H 4.29 0.02 1 841 472 92 SER C C 178.3 0.1 1 842 472 92 SER CA C 61.29 0.1 1 843 472 92 SER CB C 62.92 0.1 1 844 472 92 SER N N 116.1 0.05 1 845 473 93 GLN H H 8.15 0.02 1 846 473 93 GLN HA H 3.67 0.02 1 847 473 93 GLN HB2 H 1.91 0.02 1 848 473 93 GLN HB3 H 1.91 0.02 1 849 473 93 GLN HE21 H 6.79 0.02 1 850 473 93 GLN HE22 H 7.49 0.02 1 851 473 93 GLN HG2 H 2.09 0.02 1 852 473 93 GLN HG3 H 2.09 0.02 1 853 473 93 GLN C C 177.3 0.1 1 854 473 93 GLN CA C 61.13 0.1 1 855 473 93 GLN CB C 28.72 0.1 1 856 473 93 GLN CG C 33.27 0.1 1 857 473 93 GLN N N 120.8 0.05 1 858 473 93 GLN NE2 N 112.4 0.05 1 859 474 94 MET H H 8.23 0.02 1 860 474 94 MET HA H 4.12 0.02 1 861 474 94 MET HB2 H 2.13 0.02 1 862 474 94 MET HB3 H 2.13 0.02 1 863 474 94 MET HG2 H 2.61 0.02 1 864 474 94 MET HG3 H 2.61 0.02 1 865 474 94 MET C C 178.8 0.1 1 866 474 94 MET CA C 58.12 0.1 1 867 474 94 MET CB C 31.19 0.1 1 868 474 94 MET CG C 30.89 0.1 1 869 474 94 MET N N 116.2 0.05 1 870 475 95 ASN H H 8.20 0.02 1 871 475 95 ASN HA H 4.45 0.02 1 872 475 95 ASN HB2 H 2.80 0.02 1 873 475 95 ASN HB3 H 2.94 0.02 1 874 475 95 ASN HD21 H 7.04 0.02 1 875 475 95 ASN HD22 H 8.10 0.02 1 876 475 95 ASN C C 178.6 0.1 1 877 475 95 ASN CA C 56.11 0.1 1 878 475 95 ASN CB C 38.73 0.1 1 879 475 95 ASN N N 118.1 0.05 1 880 475 95 ASN ND2 N 111.1 0.05 1 881 476 96 MET H H 8.34 0.02 1 882 476 96 MET HA H 3.89 0.02 1 883 476 96 MET HB2 H 1.91 0.02 1 884 476 96 MET HB3 H 1.91 0.02 1 885 476 96 MET HG2 H 2.27 0.02 1 886 476 96 MET HG3 H 2.27 0.02 1 887 476 96 MET CA C 60.50 0.1 1 888 476 96 MET CB C 33.20 0.1 1 889 476 96 MET N N 118.8 0.05 1 890 477 97 LYS H H 7.72 0.02 1 891 477 97 LYS CA C 58.20 0.1 1 892 478 98 GLN H H 8.06 0.02 1 893 478 98 GLN HA H 4.21 0.02 1 894 478 98 GLN HB2 H 2.27 0.02 1 895 478 98 GLN HB3 H 2.27 0.02 1 896 478 98 GLN HE21 H 6.75 0.02 1 897 478 98 GLN HE22 H 7.44 0.02 1 898 478 98 GLN HG2 H 2.40 0.02 1 899 478 98 GLN HG3 H 2.40 0.02 1 900 478 98 GLN C C 175.4 0.1 1 901 478 98 GLN CA C 60.40 0.1 1 902 478 98 GLN CB C 29.06 0.1 1 903 478 98 GLN CG C 34.05 0.1 1 904 478 98 GLN N N 122.0 0.05 1 905 478 98 GLN NE2 N 111.4 0.05 1 906 479 99 ASP H H 7.49 0.02 1 907 479 99 ASP HA H 4.63 0.02 1 908 479 99 ASP HB2 H 2.74 0.02 1 909 479 99 ASP HB3 H 2.47 0.02 1 910 479 99 ASP C C 177.0 0.1 1 911 479 99 ASP CA C 53.30 0.1 1 912 479 99 ASP CB C 43.20 0.1 1 913 479 99 ASP N N 122.4 0.05 1 914 480 100 GLU H H 8.21 0.02 1 915 480 100 GLU HA H 4.14 0.02 1 916 480 100 GLU HB2 H 2.09 0.02 1 917 480 100 GLU HB3 H 2.09 0.02 1 918 480 100 GLU HG2 H 2.33 0.02 1 919 480 100 GLU HG3 H 2.33 0.02 1 920 480 100 GLU C C 177.7 0.1 1 921 480 100 GLU CA C 56.60 0.1 1 922 480 100 GLU CB C 29.50 0.1 1 923 480 100 GLU CG C 36.17 0.1 1 924 480 100 GLU N N 121.2 0.05 1 925 481 101 ARG H H 8.86 0.02 1 926 481 101 ARG HA H 4.21 0.02 1 927 481 101 ARG HB2 H 1.98 0.02 1 928 481 101 ARG HB3 H 1.98 0.02 1 929 481 101 ARG HD2 H 3.12 0.02 1 930 481 101 ARG HD3 H 3.12 0.02 1 931 481 101 ARG HG2 H 1.76 0.02 1 932 481 101 ARG HG3 H 1.76 0.02 1 933 481 101 ARG C C 177.6 0.1 1 934 481 101 ARG CA C 58.02 0.1 1 935 481 101 ARG CB C 30.38 0.1 1 936 481 101 ARG CG C 26.29 0.1 1 937 481 101 ARG N N 117.7 0.05 1 938 482 102 LEU H H 7.75 0.02 1 939 482 102 LEU HA H 4.21 0.02 1 940 482 102 LEU HB2 H 2.18 0.02 1 941 482 102 LEU HB3 H 2.18 0.02 1 942 482 102 LEU HD1 H 0.89 0.02 1 943 482 102 LEU HD2 H 0.74 0.02 1 944 482 102 LEU HG H 1.37 0.02 1 945 482 102 LEU C C 177.5 0.1 1 946 482 102 LEU CA C 54.34 0.1 1 947 482 102 LEU CB C 43.00 0.1 1 948 482 102 LEU CD1 C 25.22 0.1 1 949 482 102 LEU CD2 C 22.85 0.1 1 950 482 102 LEU CG C 26.96 0.1 1 951 482 102 LEU N N 115.8 0.05 1 952 483 103 SER H H 7.81 0.02 1 953 483 103 SER HA H 3.93 0.02 1 954 483 103 SER HB2 H 3.73 0.02 1 955 483 103 SER HB3 H 3.73 0.02 1 956 483 103 SER C C 175.4 0.1 1 957 483 103 SER CA C 61.36 0.1 1 958 483 103 SER CB C 63.59 0.1 1 959 483 103 SER N N 113.5 0.05 1 960 484 104 GLY H H 8.66 0.02 1 961 484 104 GLY HA2 H 4.04 0.02 1 962 484 104 GLY HA3 H 3.70 0.02 1 963 484 104 GLY C C 174.8 0.1 1 964 484 104 GLY CA C 44.90 0.1 1 965 484 104 GLY N N 110.1 0.05 1 966 485 105 GLU H H 7.63 0.02 1 967 485 105 GLU HA H 4.55 0.02 1 968 485 105 GLU HB2 H 1.98 0.02 1 969 485 105 GLU HB3 H 1.98 0.02 1 970 485 105 GLU HG2 H 2.25 0.02 1 971 485 105 GLU HG3 H 2.25 0.02 1 972 485 105 GLU C C 175.5 0.1 1 973 485 105 GLU CA C 54.00 0.1 1 974 485 105 GLU CB C 29.83 0.1 1 975 485 105 GLU CG C 35.07 0.1 1 976 485 105 GLU N N 123.7 0.05 1 977 486 106 LEU H H 9.03 0.02 1 978 486 106 LEU HA H 4.31 0.02 1 979 486 106 LEU HB2 H 1.96 0.02 1 980 486 106 LEU HB3 H 1.96 0.02 1 981 486 106 LEU HG H 1.58 0.02 1 982 486 106 LEU CA C 55.56 0.1 1 983 486 106 LEU CB C 41.61 0.1 1 984 486 106 LEU N N 123.7 0.05 1 985 487 107 ILE H H 7.16 0.02 1 986 487 107 ILE HA H 4.23 0.02 1 987 487 107 ILE HB H 1.87 0.02 1 988 487 107 ILE HD1 H 0.88 0.02 1 989 487 107 ILE HG12 H 1.46 0.02 1 990 487 107 ILE HG13 H 1.46 0.02 1 991 487 107 ILE HG2 H 0.88 0.02 1 992 487 107 ILE C C 175.6 0.1 1 993 487 107 ILE CA C 61.08 0.1 1 994 487 107 ILE CB C 38.57 0.1 1 995 487 107 ILE CD1 C 12.07 0.1 1 996 487 107 ILE CG1 C 27.10 0.1 1 997 487 107 ILE CG2 C 17.44 0.1 1 998 488 108 THR H H 7.73 0.02 1 999 488 108 THR HA H 4.21 0.02 1 1000 488 108 THR HB H 3.97 0.02 1 1001 488 108 THR HG2 H 1.17 0.02 1 1002 488 108 THR C C 179.0 0.1 1 1003 488 108 THR CA C 63.05 0.1 1 1004 488 108 THR CB C 70.83 0.1 1 1005 488 108 THR N N 124.0 0.05 1 1006 489 109 GLY H H 8.66 0.02 1 1007 489 109 GLY HA2 H 3.72 0.02 1 1008 489 109 GLY HA3 H 3.72 0.02 1 1009 489 109 GLY C C 174.2 0.1 1 1010 489 109 GLY CA C 44.89 0.1 1 1011 489 109 GLY N N 110.1 0.05 1 1012 490 110 ARG H H 8.02 0.02 1 1013 490 110 ARG HA H 4.03 0.02 1 1014 490 110 ARG HB2 H 1.86 0.02 1 1015 490 110 ARG HB3 H 1.86 0.02 1 1016 490 110 ARG HD2 H 3.22 0.02 1 1017 490 110 ARG HD3 H 3.22 0.02 1 1018 490 110 ARG HG2 H 1.68 0.02 1 1019 490 110 ARG HG3 H 1.68 0.02 1 1020 490 110 ARG C C 176.1 0.1 1 1021 490 110 ARG CA C 60.36 0.1 1 1022 490 110 ARG CB C 31.10 0.1 1 1023 490 110 ARG N N 121.6 0.05 1 1024 491 111 ARG H H 8.02 0.02 1 1025 491 111 ARG HA H 4.30 0.02 1 1026 491 111 ARG C C 176.1 0.1 1 1027 491 111 ARG CA C 60.36 0.1 1 1028 491 111 ARG CB C 34.14 0.1 1 1029 491 111 ARG N N 121.6 0.05 1 1030 492 112 GLN H H 7.50 0.02 1 1031 492 112 GLN HA H 4.11 0.02 1 1032 492 112 GLN HB2 H 2.07 0.02 1 1033 492 112 GLN HB3 H 2.07 0.02 1 1034 492 112 GLN HE21 H 6.85 0.02 1 1035 492 112 GLN HE22 H 7.60 0.02 1 1036 492 112 GLN HG2 H 2.26 0.02 1 1037 492 112 GLN HG3 H 2.26 0.02 1 1038 492 112 GLN C C 177.7 0.1 1 1039 492 112 GLN CA C 58.51 0.1 1 1040 492 112 GLN CB C 28.45 0.1 1 1041 492 112 GLN CG C 35.38 0.1 1 1042 492 112 GLN N N 121.1 0.05 1 1043 492 112 GLN NE2 N 112.9 0.05 1 1044 493 113 LEU H H 7.55 0.02 1 1045 493 113 LEU HA H 4.03 0.02 1 1046 493 113 LEU HB2 H 1.81 0.02 1 1047 493 113 LEU HB3 H 1.67 0.02 1 1048 493 113 LEU HD1 H 0.94 0.02 1 1049 493 113 LEU HD2 H 0.94 0.02 1 1050 493 113 LEU HG H 1.67 0.02 1 1051 493 113 LEU C C 177.7 0.1 1 1052 493 113 LEU CA C 57.69 0.1 1 1053 493 113 LEU CB C 41.81 0.1 1 1054 493 113 LEU CD1 C 24.83 0.1 1 1055 493 113 LEU CD2 C 24.83 0.1 1 1056 493 113 LEU N N 118.4 0.05 1 1057 494 114 LEU H H 7.37 0.02 1 1058 494 114 LEU HA H 4.26 0.02 1 1059 494 114 LEU HB2 H 1.70 0.02 1 1060 494 114 LEU HB3 H 1.70 0.02 1 1061 494 114 LEU HD1 H 0.88 0.02 1 1062 494 114 LEU HD2 H 0.87 0.02 1 1063 494 114 LEU C C 178.2 0.1 1 1064 494 114 LEU CA C 55.97 0.1 1 1065 494 114 LEU CB C 41.90 0.1 1 1066 494 114 LEU CD1 C 25.19 0.1 1 1067 494 114 LEU CD2 C 23.08 0.1 1 1068 494 114 LEU CG C 25.40 0.1 1 1069 494 114 LEU N N 116.4 0.05 1 1070 495 115 GLU H H 7.68 0.02 1 1071 495 115 GLU HA H 4.23 0.02 1 1072 495 115 GLU HB2 H 1.86 0.02 1 1073 495 115 GLU HB3 H 1.86 0.02 1 1074 495 115 GLU HG2 H 2.16 0.02 1 1075 495 115 GLU HG3 H 2.16 0.02 1 1076 495 115 GLU C C 176.8 0.1 1 1077 495 115 GLU CA C 57.05 0.1 1 1078 495 115 GLU CB C 30.21 0.1 1 1079 495 115 GLU CG C 36.41 0.1 1 1080 495 115 GLU N N 118.0 0.05 1 1081 496 116 GLY H H 7.84 0.02 1 1082 496 116 GLY HA2 H 3.65 0.02 1 1083 496 116 GLY HA3 H 3.65 0.02 1 1084 496 116 GLY C C 174.7 0.1 1 1085 496 116 GLY CA C 45.95 0.1 1 1086 496 116 GLY N N 108.5 0.05 1 1087 497 117 MET H H 8.03 0.02 1 1088 497 117 MET HA H 4.14 0.02 1 1089 497 117 MET HB2 H 1.74 0.02 1 1090 497 117 MET HB3 H 1.74 0.02 1 1091 497 117 MET HG2 H 2.04 0.02 1 1092 497 117 MET HG3 H 2.04 0.02 1 1093 497 117 MET C C 174.4 0.1 1 1094 497 117 MET CA C 55.48 0.1 1 1095 497 117 MET CB C 33.96 0.1 1 1096 497 117 MET CG C 31.40 0.1 1 1097 497 117 MET N N 123.2 0.05 1 1098 498 118 ALA H H 8.18 0.02 1 1099 498 118 ALA HA H 4.32 0.02 1 1100 498 118 ALA HB H 1.15 0.02 1 1101 498 118 ALA C C 176.4 0.1 1 1102 498 118 ALA CA C 50.91 0.1 1 1103 498 118 ALA CB C 19.49 0.1 1 1104 498 118 ALA N N 126.5 0.05 1 1105 499 119 PHE H H 7.64 0.02 1 1106 499 119 PHE HA H 4.46 0.02 1 1107 499 119 PHE HB2 H 2.63 0.02 1 1108 499 119 PHE HB3 H 2.20 0.02 1 1109 499 119 PHE C C 175.3 0.1 1 1110 499 119 PHE CA C 56.09 0.1 1 1111 499 119 PHE CB C 41.05 0.1 1 1112 499 119 PHE N N 119.2 0.05 1 1113 500 120 THR H H 8.70 0.02 1 1114 500 120 THR HA H 4.38 0.02 1 1115 500 120 THR HB H 4.84 0.02 1 1116 500 120 THR HG2 H 1.21 0.02 1 1117 500 120 THR C C 172.8 0.1 1 1118 500 120 THR CA C 60.48 0.1 1 1119 500 120 THR CB C 69.25 0.1 1 1120 500 120 THR N N 120.0 0.05 1 1121 501 121 PRO HA H 4.97 0.02 1 1122 501 121 PRO HB2 H 2.51 0.02 1 1123 501 121 PRO HB3 H 2.51 0.02 1 1124 501 121 PRO HD2 H 3.39 0.02 1 1125 501 121 PRO HD3 H 3.39 0.02 1 1126 501 121 PRO HG2 H 1.97 0.02 1 1127 501 121 PRO HG3 H 1.97 0.02 1 1128 501 121 PRO C C 178.5 0.1 1 1129 501 121 PRO CA C 63.72 0.1 1 1130 501 121 PRO CB C 31.77 0.1 1 1131 501 121 PRO CD C 51.52 0.1 1 1132 501 121 PRO CG C 28.31 0.1 1 1133 502 122 GLY H H 8.22 0.02 1 1134 502 122 GLY HA2 H 4.15 0.02 1 1135 502 122 GLY HA3 H 4.30 0.02 1 1136 502 122 GLY C C 174.5 0.1 1 1137 502 122 GLY CA C 46.69 0.1 1 1138 502 122 GLY N N 109.8 0.05 1 1139 503 123 SER H H 7.33 0.02 1 1140 503 123 SER HA H 3.92 0.02 1 1141 503 123 SER HB2 H 3.59 0.02 1 1142 503 123 SER HB3 H 3.59 0.02 1 1143 503 123 SER C C 172.8 0.1 1 1144 503 123 SER CA C 57.45 0.1 1 1145 503 123 SER CB C 65.98 0.1 1 1146 503 123 SER N N 112.7 0.05 1 1147 504 124 THR H H 9.09 0.02 1 1148 504 124 THR HA H 5.28 0.02 1 1149 504 124 THR HB H 3.80 0.02 1 1150 504 124 THR HG1 H 3.80 0.02 1 1151 504 124 THR HG2 H 1.04 0.02 1 1152 504 124 THR C C 172.9 0.1 1 1153 504 124 THR CA C 63.43 0.1 1 1154 504 124 THR CB C 72.79 0.1 1 1155 504 124 THR CG2 C 21.49 0.1 1 1156 504 124 THR N N 117.2 0.05 1 1157 505 125 VAL H H 9.41 0.02 1 1158 505 125 VAL HA H 5.02 0.02 1 1159 505 125 VAL HB H 1.59 0.02 1 1160 505 125 VAL HG1 H 0.96 0.02 1 1161 505 125 VAL HG2 H 0.63 0.02 1 1162 505 125 VAL C C 173.7 0.1 1 1163 505 125 VAL CA C 59.77 0.1 1 1164 505 125 VAL CB C 34.34 0.1 1 1165 505 125 VAL CG1 C 22.51 0.1 1 1166 505 125 VAL CG2 C 21.50 0.1 1 1167 505 125 VAL N N 127.5 0.05 1 1168 506 126 ILE H H 8.67 0.02 1 1169 506 126 ILE HA H 4.92 0.02 1 1170 506 126 ILE HB H 1.56 0.02 1 1171 506 126 ILE HD1 H 0.68 0.02 1 1172 506 126 ILE HG12 H 1.48 0.02 1 1173 506 126 ILE HG13 H 1.48 0.02 1 1174 506 126 ILE HG2 H 0.72 0.02 1 1175 506 126 ILE C C 174.9 0.1 1 1176 506 126 ILE CA C 59.22 0.1 1 1177 506 126 ILE CB C 40.84 0.1 1 1178 506 126 ILE CD1 C 17.00 0.1 1 1179 506 126 ILE CG1 C 28.80 0.1 1 1180 506 126 ILE CG2 C 19.00 0.1 1 1181 506 126 ILE N N 126.9 0.05 1 1182 507 127 VAL H H 10.12 0.02 1 1183 507 127 VAL HA H 4.99 0.02 1 1184 507 127 VAL HB H 2.11 0.02 1 1185 507 127 VAL HG1 H 0.84 0.02 1 1186 507 127 VAL HG2 H 0.85 0.02 1 1187 507 127 VAL C C 175.9 0.1 1 1188 507 127 VAL CA C 60.46 0.1 1 1189 507 127 VAL CB C 33.50 0.1 1 1190 507 127 VAL CG1 C 18.91 0.1 1 1191 507 127 VAL CG2 C 18.91 0.1 1 1192 507 127 VAL N N 129.8 0.05 1 1193 508 128 ASP H H 9.21 0.02 1 1194 508 128 ASP HA H 4.02 0.02 1 1195 508 128 ASP HB2 H 2.65 0.02 1 1196 508 128 ASP HB3 H 2.65 0.02 1 1197 508 128 ASP C C 176.9 0.1 1 1198 508 128 ASP CA C 63.89 0.1 1 1199 508 128 ASP CB C 38.60 0.1 1 1200 508 128 ASP N N 122.8 0.05 1 1201 509 129 GLN H H 7.99 0.02 1 1202 509 129 GLN HA H 4.10 0.02 1 1203 509 129 GLN HB2 H 2.06 0.02 1 1204 509 129 GLN HB3 H 2.06 0.02 1 1205 509 129 GLN HE21 H 6.83 0.02 1 1206 509 129 GLN HE22 H 7.49 0.02 1 1207 509 129 GLN HG2 H 2.27 0.02 1 1208 509 129 GLN HG3 H 2.27 0.02 1 1209 509 129 GLN C C 177.1 0.1 1 1210 509 129 GLN CA C 56.64 0.1 1 1211 509 129 GLN CB C 26.90 0.1 1 1212 509 129 GLN CG C 33.84 0.1 1 1213 509 129 GLN N N 122.8 0.05 1 1214 509 129 GLN NE2 N 110.1 0.05 1 1215 510 130 GLY H H 8.87 0.02 1 1216 510 130 GLY HA2 H 3.62 0.02 1 1217 510 130 GLY HA3 H 3.62 0.02 1 1218 510 130 GLY C C 174.8 0.1 1 1219 510 130 GLY CA C 47.02 0.1 1 1220 510 130 GLY N N 106.7 0.05 1 1221 511 131 GLU H H 10.92 0.02 1 1222 511 131 GLU HA H 4.27 0.02 1 1223 511 131 GLU HB2 H 1.95 0.02 1 1224 511 131 GLU HB3 H 1.95 0.02 1 1225 511 131 GLU HG2 H 2.55 0.02 1 1226 511 131 GLU HG3 H 2.55 0.02 1 1227 511 131 GLU C C 176.7 0.1 1 1228 511 131 GLU CA C 58.69 0.1 1 1229 511 131 GLU CB C 26.90 0.1 1 1230 511 131 GLU CG C 33.84 0.1 1 1231 511 131 GLU N N 122.9 0.05 1 1232 512 132 LYS H H 7.97 0.02 1 1233 512 132 LYS HA H 4.29 0.02 1 1234 512 132 LYS HB2 H 2.08 0.02 1 1235 512 132 LYS HB3 H 2.08 0.02 1 1236 512 132 LYS HD2 H 1.81 0.02 1 1237 512 132 LYS HD3 H 1.81 0.02 1 1238 512 132 LYS HE2 H 2.99 0.02 1 1239 512 132 LYS HE3 H 2.99 0.02 1 1240 512 132 LYS HG2 H 1.36 0.02 1 1241 512 132 LYS HG3 H 1.36 0.02 1 1242 512 132 LYS C C 176.9 0.1 1 1243 512 132 LYS CA C 56.54 0.1 1 1244 512 132 LYS CB C 32.90 0.1 1 1245 512 132 LYS CD C 29.29 0.1 1 1246 512 132 LYS CE C 42.12 0.1 1 1247 512 132 LYS CG C 26.42 0.1 1 1248 512 132 LYS N N 119.1 0.05 1 1249 513 133 LEU H H 7.24 0.02 1 1250 513 133 LEU HA H 4.31 0.02 1 1251 513 133 LEU HB2 H 1.81 0.02 1 1252 513 133 LEU HB3 H 1.81 0.02 1 1253 513 133 LEU HD1 H 0.76 0.02 1 1254 513 133 LEU HD2 H 0.78 0.02 1 1255 513 133 LEU HG H 1.49 0.02 1 1256 513 133 LEU C C 178.0 0.1 1 1257 513 133 LEU CA C 55.61 0.1 1 1258 513 133 LEU CB C 42.78 0.1 1 1259 513 133 LEU CD1 C 25.18 0.1 1 1260 513 133 LEU CD2 C 22.90 0.1 1 1261 513 133 LEU CG C 26.11 0.1 1 1262 513 133 LEU N N 118.7 0.05 1 1263 514 134 SER H H 9.29 0.02 1 1264 514 134 SER HA H 4.12 0.02 1 1265 514 134 SER HB2 H 4.48 0.02 1 1266 514 134 SER HB3 H 4.48 0.02 1 1267 514 134 SER C C 176.0 0.1 1 1268 514 134 SER CA C 56.78 0.1 1 1269 514 134 SER CB C 66.06 0.1 1 1270 514 134 SER N N 118.6 0.05 1 1271 515 135 LEU H H 8.01 0.02 1 1272 515 135 LEU HA H 3.92 0.02 1 1273 515 135 LEU HB2 H 1.97 0.02 1 1274 515 135 LEU HB3 H 1.97 0.02 1 1275 515 135 LEU HD1 H 0.95 0.02 1 1276 515 135 LEU HD2 H 0.77 0.02 1 1277 515 135 LEU C C 178.6 0.1 1 1278 515 135 LEU CA C 58.83 0.1 1 1279 515 135 LEU CB C 41.50 0.1 1 1280 515 135 LEU CD1 C 23.69 0.1 1 1281 515 135 LEU CD2 C 23.69 0.1 1 1282 515 135 LEU N N 119.6 0.05 1 1283 516 136 LYS H H 8.46 0.02 1 1284 516 136 LYS HA H 3.95 0.02 1 1285 516 136 LYS HB2 H 1.81 0.02 1 1286 516 136 LYS HB3 H 1.81 0.02 1 1287 516 136 LYS HG2 H 1.40 0.02 1 1288 516 136 LYS HG3 H 1.40 0.02 1 1289 516 136 LYS C C 180.2 0.1 1 1290 516 136 LYS CA C 59.62 0.1 1 1291 516 136 LYS CB C 32.34 0.1 1 1292 516 136 LYS CD C 27.02 0.1 1 1293 516 136 LYS CE C 42.03 0.1 1 1294 516 136 LYS CG C 24.95 0.1 1 1295 516 136 LYS N N 117.9 0.05 1 1296 517 137 GLU H H 7.98 0.02 1 1297 517 137 GLU HA H 3.73 0.02 1 1298 517 137 GLU HB2 H 1.81 0.02 1 1299 517 137 GLU HB3 H 1.81 0.02 1 1300 517 137 GLU HG2 H 2.31 0.02 1 1301 517 137 GLU HG3 H 2.31 0.02 1 1302 517 137 GLU C C 178.0 0.1 1 1303 517 137 GLU CA C 59.77 0.1 1 1304 517 137 GLU CB C 31.05 0.1 1 1305 517 137 GLU CG C 37.93 0.1 1 1306 517 137 GLU N N 119.4 0.05 1 1307 518 138 THR H H 8.09 0.02 1 1308 518 138 THR HA H 4.15 0.02 1 1309 518 138 THR HB H 3.82 0.02 1 1310 518 138 THR HG2 H 1.02 0.02 1 1311 518 138 THR C C 176.0 0.1 1 1312 518 138 THR CA C 68.12 0.1 1 1313 518 138 THR CB C 73.74 0.1 1 1314 518 138 THR CG2 C 22.02 0.1 1 1315 518 138 THR N N 115.7 0.05 1 1316 519 139 LEU H H 8.57 0.02 1 1317 519 139 LEU HA H 3.83 0.02 1 1318 519 139 LEU HB2 H 1.80 0.02 1 1319 519 139 LEU HB3 H 1.80 0.02 1 1320 519 139 LEU HD1 H 0.82 0.02 1 1321 519 139 LEU HD2 H 0.82 0.02 1 1322 519 139 LEU HG H 1.50 0.02 1 1323 519 139 LEU C C 178.6 0.1 1 1324 519 139 LEU CA C 58.85 0.1 1 1325 519 139 LEU CB C 41.52 0.1 1 1326 519 139 LEU CD1 C 25.11 0.1 1 1327 519 139 LEU CD2 C 24.14 0.1 1 1328 519 139 LEU N N 122.4 0.05 1 1329 520 140 THR H H 7.68 0.02 1 1330 520 140 THR HA H 4.22 0.02 1 1331 520 140 THR HB H 3.97 0.02 1 1332 520 140 THR HG2 H 1.31 0.02 1 1333 520 140 THR C C 178.6 0.1 1 1334 520 140 THR CA C 67.19 0.1 1 1335 520 140 THR CB C 68.92 0.1 1 1336 520 140 THR CG2 C 21.86 0.1 1 1337 520 140 THR N N 115.7 0.05 1 1338 521 141 LEU H H 7.91 0.02 1 1339 521 141 LEU HA H 4.07 0.02 1 1340 521 141 LEU HB2 H 1.70 0.02 1 1341 521 141 LEU HB3 H 1.70 0.02 1 1342 521 141 LEU HD1 H 0.80 0.02 1 1343 521 141 LEU HD2 H 0.80 0.02 1 1344 521 141 LEU HG H 1.33 0.02 1 1345 521 141 LEU C C 177.3 0.1 1 1346 521 141 LEU CA C 58.40 0.1 1 1347 521 141 LEU CB C 42.63 0.1 1 1348 521 141 LEU CD1 C 23.99 0.1 1 1349 521 141 LEU CD2 C 23.99 0.1 1 1350 521 141 LEU N N 119.7 0.05 1 1351 522 142 LEU H H 8.71 0.02 1 1352 522 142 LEU HA H 3.94 0.02 1 1353 522 142 LEU HB2 H 1.84 0.02 1 1354 522 142 LEU HB3 H 1.84 0.02 1 1355 522 142 LEU HD1 H 0.83 0.02 1 1356 522 142 LEU HD2 H 0.83 0.02 1 1357 522 142 LEU HG H 1.35 0.02 1 1358 522 142 LEU C C 178.3 0.1 1 1359 522 142 LEU CA C 57.45 0.1 1 1360 522 142 LEU CB C 41.49 0.1 1 1361 522 142 LEU CD1 C 21.59 0.1 1 1362 522 142 LEU CD2 C 21.59 0.1 1 1363 522 142 LEU CG C 27.23 0.1 1 1364 522 142 LEU N N 116.4 0.05 1 1365 523 143 ASP H H 8.47 0.02 1 1366 523 143 ASP HA H 4.25 0.02 1 1367 523 143 ASP HB2 H 2.71 0.02 1 1368 523 143 ASP HB3 H 2.71 0.02 1 1369 523 143 ASP C C 178.7 0.1 1 1370 523 143 ASP CA C 57.91 0.1 1 1371 523 143 ASP CB C 42.55 0.1 1 1372 523 143 ASP N N 119.7 0.05 1 1373 524 144 GLY H H 7.66 0.02 1 1374 524 144 GLY HA2 H 3.35 0.02 1 1375 524 144 GLY HA3 H 3.65 0.02 1 1376 524 144 GLY C C 175.8 0.1 1 1377 524 144 GLY CA C 47.24 0.1 1 1378 524 144 GLY N N 104.4 0.05 1 1379 525 145 ALA H H 8.35 0.02 1 1380 525 145 ALA HA H 3.94 0.02 1 1381 525 145 ALA HB H 1.39 0.02 1 1382 525 145 ALA C C 180.6 0.1 1 1383 525 145 ALA CA C 54.97 0.1 1 1384 525 145 ALA CB C 18.62 0.1 1 1385 525 145 ALA N N 123.5 0.05 1 1386 526 146 ALA H H 8.51 0.02 1 1387 526 146 ALA HA H 4.24 0.02 1 1388 526 146 ALA HB H 1.48 0.02 1 1389 526 146 ALA C C 179.9 0.1 1 1390 526 146 ALA CA C 54.53 0.1 1 1391 526 146 ALA CB C 18.17 0.1 1 1392 526 146 ALA N N 120.7 0.05 1 1393 527 147 ARG H H 7.69 0.02 1 1394 527 147 ARG HA H 4.00 0.02 1 1395 527 147 ARG HB2 H 1.51 0.02 1 1396 527 147 ARG HB3 H 1.51 0.02 1 1397 527 147 ARG HD2 H 3.08 0.02 1 1398 527 147 ARG HD3 H 3.08 0.02 1 1399 527 147 ARG HG2 H 1.27 0.02 1 1400 527 147 ARG HG3 H 1.27 0.02 1 1401 527 147 ARG C C 178.0 0.1 1 1402 527 147 ARG CA C 58.45 0.1 1 1403 527 147 ARG CB C 30.62 0.1 1 1404 527 147 ARG CD C 43.26 0.1 1 1405 527 147 ARG CG C 28.06 0.1 1 1406 527 147 ARG N N 116.4 0.05 1 1407 528 148 HIS H H 7.52 0.02 1 1408 528 148 HIS HA H 4.92 0.02 1 1409 528 148 HIS HB2 H 3.11 0.02 1 1410 528 148 HIS HB3 H 2.62 0.02 1 1411 528 148 HIS C C 174.1 0.1 1 1412 528 148 HIS CA C 55.81 0.1 1 1413 528 148 HIS CB C 31.03 0.1 1 1414 528 148 HIS N N 113.2 0.05 1 1415 529 149 ASN H H 7.74 0.02 1 1416 529 149 ASN HA H 4.45 0.02 1 1417 529 149 ASN HB2 H 2.45 0.02 1 1418 529 149 ASN HB3 H 2.45 0.02 1 1419 529 149 ASN HD21 H 7.52 0.02 1 1420 529 149 ASN HD22 H 6.91 0.02 1 1421 529 149 ASN C C 174.1 0.1 1 1422 529 149 ASN CA C 54.42 0.1 1 1423 529 149 ASN CB C 36.86 0.1 1 1424 529 149 ASN N N 118.1 0.05 1 1425 529 149 ASN ND2 N 113.0 0.05 1 1426 530 150 VAL H H 7.56 0.02 1 1427 530 150 VAL HA H 4.47 0.02 1 1428 530 150 VAL HB H 1.61 0.02 1 1429 530 150 VAL HG1 H 0.72 0.02 1 1430 530 150 VAL HG2 H 0.85 0.02 1 1431 530 150 VAL C C 175.4 0.1 1 1432 530 150 VAL CA C 60.73 0.1 1 1433 530 150 VAL CB C 34.66 0.1 1 1434 530 150 VAL CG1 C 22.38 0.1 1 1435 530 150 VAL CG2 C 22.90 0.1 1 1436 530 150 VAL N N 120.3 0.05 1 1437 531 151 GLN H H 8.54 0.02 1 1438 531 151 GLN HA H 4.86 0.02 1 1439 531 151 GLN HB2 H 1.72 0.02 1 1440 531 151 GLN HB3 H 1.72 0.02 1 1441 531 151 GLN HE21 H 7.30 0.02 1 1442 531 151 GLN HE22 H 6.58 0.02 1 1443 531 151 GLN HG2 H 2.22 0.02 1 1444 531 151 GLN HG3 H 2.22 0.02 1 1445 531 151 GLN C C 174.1 0.1 1 1446 531 151 GLN CA C 54.28 0.1 1 1447 531 151 GLN CB C 30.09 0.1 1 1448 531 151 GLN CG C 33.20 0.1 1 1449 531 151 GLN N N 126.4 0.05 1 1450 531 151 GLN NE2 N 109.9 0.05 1 1451 532 152 VAL H H 8.64 0.02 1 1452 532 152 VAL HA H 4.56 0.02 1 1453 532 152 VAL HB H 2.05 0.02 1 1454 532 152 VAL HG1 H 0.69 0.02 1 1455 532 152 VAL HG2 H 1.20 0.02 1 1456 532 152 VAL C C 173.5 0.1 1 1457 532 152 VAL CA C 61.54 0.1 1 1458 532 152 VAL CB C 32.63 0.1 1 1459 532 152 VAL CG1 C 22.21 0.1 1 1460 532 152 VAL CG2 C 21.90 0.1 1 1461 532 152 VAL N N 129.8 0.05 1 1462 533 153 LEU H H 8.79 0.02 1 1463 533 153 LEU HA H 4.96 0.02 1 1464 533 153 LEU HB2 H 1.87 0.02 1 1465 533 153 LEU HB3 H 1.87 0.02 1 1466 533 153 LEU HD1 H 0.68 0.02 1 1467 533 153 LEU HD2 H 0.65 0.02 1 1468 533 153 LEU HG H 1.38 0.02 1 1469 533 153 LEU C C 174.7 0.1 1 1470 533 153 LEU CA C 52.00 0.1 1 1471 533 153 LEU CB C 42.72 0.1 1 1472 533 153 LEU CD1 C 27.60 0.1 1 1473 533 153 LEU CD2 C 24.29 0.1 1 1474 533 153 LEU CG C 27.20 0.1 1 1475 533 153 LEU N N 125.6 0.05 1 1476 534 154 ILE H H 8.91 0.02 1 1477 534 154 ILE HA H 4.32 0.02 1 1478 534 154 ILE HB H 1.89 0.02 1 1479 534 154 ILE HD1 H 0.60 0.02 1 1480 534 154 ILE HG12 H 1.47 0.02 1 1481 534 154 ILE HG13 H 1.47 0.02 1 1482 534 154 ILE HG2 H 0.83 0.02 1 1483 534 154 ILE C C 175.7 0.1 1 1484 534 154 ILE CA C 60.28 0.1 1 1485 534 154 ILE CB C 39.39 0.1 1 1486 534 154 ILE CD1 C 13.80 0.1 1 1487 534 154 ILE CG1 C 27.87 0.1 1 1488 534 154 ILE CG2 C 18.50 0.1 1 1489 534 154 ILE N N 123.9 0.05 1 1490 535 155 THR H H 8.42 0.02 1 1491 535 155 THR HA H 5.38 0.02 1 1492 535 155 THR HB H 4.26 0.02 1 1493 535 155 THR HG2 H 0.95 0.02 1 1494 535 155 THR C C 172.7 0.1 1 1495 535 155 THR CA C 59.95 0.1 1 1496 535 155 THR CB C 70.00 0.1 1 1497 535 155 THR CG2 C 22.05 0.1 1 1498 535 155 THR N N 116.7 0.05 1 1499 536 156 ASP H H 8.37 0.02 1 1500 536 156 ASP HA H 5.30 0.02 1 1501 536 156 ASP HB2 H 2.38 0.02 1 1502 536 156 ASP HB3 H 2.38 0.02 1 1503 536 156 ASP C C 176.3 0.1 1 1504 536 156 ASP CA C 52.04 0.1 1 1505 536 156 ASP CB C 43.95 0.1 1 1506 536 156 ASP N N 122.5 0.05 1 1507 537 157 SER H H 9.32 0.02 1 1508 537 157 SER HA H 4.12 0.02 1 1509 537 157 SER HB2 H 4.92 0.02 1 1510 537 157 SER HB3 H 4.92 0.02 1 1511 537 157 SER C C 175.7 0.1 1 1512 537 157 SER CA C 57.62 0.1 1 1513 537 157 SER CB C 64.09 0.1 1 1514 537 157 SER N N 122.4 0.05 1 1515 538 158 GLY H H 8.71 0.02 1 1516 538 158 GLY HA2 H 3.77 0.02 1 1517 538 158 GLY HA3 H 3.98 0.02 1 1518 538 158 GLY C C 175.2 0.1 1 1519 538 158 GLY CA C 46.18 0.1 1 1520 538 158 GLY N N 110.6 0.05 1 1521 539 159 GLN HE21 H 7.42 0.02 1 1522 539 159 GLN HE22 H 6.84 0.02 1 1523 539 159 GLN CB C 28.57 0.1 1 1524 539 159 GLN CG C 35.32 0.1 1 1525 539 159 GLN NE2 N 112.5 0.05 1 1526 541 161 THR HA H 4.07 0.02 1 1527 541 161 THR HB H 4.58 0.02 1 1528 541 161 THR HG2 H 1.12 0.02 1 1529 541 161 THR C C 173.3 0.1 1 1530 541 161 THR CA C 60.47 0.1 1 1531 541 161 THR CB C 70.91 0.1 1 1532 541 161 THR CG2 C 21.27 0.1 1 1533 542 162 GLY H H 8.39 0.02 1 1534 542 162 GLY HA2 H 3.82 0.02 1 1535 542 162 GLY HA3 H 3.82 0.02 1 1536 542 162 GLY CA C 44.86 0.1 1 1537 542 162 GLY N N 108.5 0.05 1 1538 544 164 GLY HA2 H 4.05 0.02 1 1539 544 164 GLY HA3 H 4.05 0.02 1 1540 544 164 GLY C C 174.5 0.1 1 1541 544 164 GLY CA C 45.85 0.1 1 1542 545 165 SER H H 7.95 0.02 1 1543 545 165 SER HA H 4.25 0.02 1 1544 545 165 SER HB2 H 4.40 0.02 1 1545 545 165 SER HB3 H 4.40 0.02 1 1546 545 165 SER C C 176.2 0.1 1 1547 545 165 SER CA C 59.00 0.1 1 1548 545 165 SER CB C 64.00 0.1 1 1549 545 165 SER N N 115.1 0.05 1 1550 546 166 ALA H H 8.99 0.02 1 1551 546 166 ALA HA H 3.98 0.02 1 1552 546 166 ALA HB H 1.38 0.02 1 1553 546 166 ALA C C 178.6 0.1 1 1554 546 166 ALA CA C 55.40 0.1 1 1555 546 166 ALA CB C 18.80 0.1 1 1556 546 166 ALA N N 126.5 0.05 1 1557 547 167 LEU H H 7.93 0.02 1 1558 547 167 LEU HA H 3.65 0.02 1 1559 547 167 LEU HB2 H 1.61 0.02 1 1560 547 167 LEU HB3 H 1.61 0.02 1 1561 547 167 LEU HD1 H 0.78 0.02 1 1562 547 167 LEU HD2 H 0.76 0.02 1 1563 547 167 LEU HG H 1.43 0.02 1 1564 547 167 LEU C C 179.4 0.1 1 1565 547 167 LEU CA C 57.99 0.1 1 1566 547 167 LEU CB C 41.17 0.1 1 1567 547 167 LEU CD1 C 24.30 0.1 1 1568 547 167 LEU CD2 C 24.30 0.1 1 1569 547 167 LEU CG C 27.14 0.1 1 1570 547 167 LEU N N 116.0 0.05 1 1571 548 168 MET H H 7.69 0.02 1 1572 548 168 MET HA H 4.06 0.02 1 1573 548 168 MET HB2 H 2.09 0.02 1 1574 548 168 MET HB3 H 2.09 0.02 1 1575 548 168 MET HE H 1.62 0.02 1 1576 548 168 MET HG2 H 2.60 0.02 1 1577 548 168 MET HG3 H 2.60 0.02 1 1578 548 168 MET C C 178.0 0.1 1 1579 548 168 MET CA C 58.11 0.1 1 1580 548 168 MET CB C 31.62 0.1 1 1581 548 168 MET N N 117.1 0.05 1 1582 549 169 ALA H H 7.72 0.02 1 1583 549 169 ALA HA H 4.21 0.02 1 1584 549 169 ALA HB H 1.44 0.02 1 1585 549 169 ALA C C 179.5 0.1 1 1586 549 169 ALA CA C 54.94 0.1 1 1587 549 169 ALA CB C 18.02 0.1 1 1588 549 169 ALA N N 122.0 0.05 1 1589 550 170 MET H H 7.54 0.02 1 1590 550 170 MET HA H 3.84 0.02 1 1591 550 170 MET HB2 H 2.20 0.02 1 1592 550 170 MET HB3 H 2.20 0.02 1 1593 550 170 MET HE H 2.00 0.02 1 1594 550 170 MET HG2 H 2.56 0.02 1 1595 550 170 MET HG3 H 2.56 0.02 1 1596 550 170 MET C C 178.5 0.1 1 1597 550 170 MET CA C 59.99 0.1 1 1598 550 170 MET CB C 33.42 0.1 1 1599 550 170 MET N N 115.5 0.05 1 1600 551 171 LYS H H 8.05 0.02 1 1601 551 171 LYS HA H 4.04 0.02 1 1602 551 171 LYS HB2 H 1.88 0.02 1 1603 551 171 LYS HB3 H 1.88 0.02 1 1604 551 171 LYS HD2 H 1.56 0.02 1 1605 551 171 LYS HD3 H 1.56 0.02 1 1606 551 171 LYS HE2 H 2.81 0.02 1 1607 551 171 LYS HE3 H 2.81 0.02 1 1608 551 171 LYS HG2 H 1.31 0.02 1 1609 551 171 LYS HG3 H 1.30 0.02 1 1610 551 171 LYS C C 181.2 0.1 1 1611 551 171 LYS CA C 60.19 0.1 1 1612 551 171 LYS CB C 31.65 0.1 1 1613 551 171 LYS CE C 42.00 0.1 1 1614 551 171 LYS CG C 25.56 0.1 1 1615 551 171 LYS N N 120.0 0.05 1 1616 552 172 ASP H H 8.48 0.02 1 1617 552 172 ASP HA H 4.38 0.02 1 1618 552 172 ASP HB2 H 2.58 0.02 1 1619 552 172 ASP HB3 H 2.80 0.02 1 1620 552 172 ASP C C 177.4 0.1 1 1621 552 172 ASP CA C 56.96 0.1 1 1622 552 172 ASP CB C 40.62 0.1 1 1623 552 172 ASP N N 121.3 0.05 1 1624 553 173 ALA H H 7.55 0.02 1 1625 553 173 ALA HA H 4.26 0.02 1 1626 553 173 ALA HB H 1.59 0.02 1 1627 553 173 ALA C C 176.6 0.1 1 1628 553 173 ALA CA C 52.35 0.1 1 1629 553 173 ALA CB C 20.13 0.1 1 1630 553 173 ALA N N 119.8 0.05 1 1631 554 174 GLY H H 7.69 0.02 1 1632 554 174 GLY HA2 H 3.02 0.02 1 1633 554 174 GLY HA3 H 3.60 0.02 1 1634 554 174 GLY C C 174.4 0.1 1 1635 554 174 GLY CA C 44.79 0.1 1 1636 554 174 GLY N N 103.5 0.05 1 1637 555 175 VAL H H 7.45 0.02 1 1638 555 175 VAL HA H 3.88 0.02 1 1639 555 175 VAL HB H 1.53 0.02 1 1640 555 175 VAL HG1 H 0.93 0.02 1 1641 555 175 VAL HG2 H 0.97 0.02 1 1642 555 175 VAL C C 175.7 0.1 1 1643 555 175 VAL CA C 63.79 0.1 1 1644 555 175 VAL CB C 31.95 0.1 1 1645 555 175 VAL CG1 C 21.73 0.1 1 1646 555 175 VAL CG2 C 21.73 0.1 1 1647 555 175 VAL N N 120.8 0.05 1 1648 556 176 ASN H H 9.19 0.02 1 1649 556 176 ASN HA H 4.50 0.02 1 1650 556 176 ASN HB2 H 2.83 0.02 1 1651 556 176 ASN HB3 H 2.43 0.02 1 1652 556 176 ASN HD21 H 7.03 0.02 1 1653 556 176 ASN HD22 H 6.78 0.02 1 1654 556 176 ASN C C 173.9 0.1 1 1655 556 176 ASN CA C 54.10 0.1 1 1656 556 176 ASN CB C 39.93 0.1 1 1657 556 176 ASN N N 127.5 0.05 1 1658 556 176 ASN ND2 N 111.5 0.05 1 1659 557 177 THR H H 7.86 0.02 1 1660 557 177 THR HA H 5.15 0.02 1 1661 557 177 THR HB H 3.87 0.02 1 1662 557 177 THR HG2 H 1.01 0.02 1 1663 557 177 THR C C 173.8 0.1 1 1664 557 177 THR CA C 61.21 0.1 1 1665 557 177 THR CB C 70.38 0.1 1 1666 557 177 THR CG2 C 21.49 0.1 1 1667 557 177 THR N N 115.4 0.05 1 1668 558 178 TYR H H 9.39 0.02 1 1669 558 178 TYR HA H 4.48 0.02 1 1670 558 178 TYR HB2 H 2.79 0.02 1 1671 558 178 TYR HB3 H 2.79 0.02 1 1672 558 178 TYR C C 174.6 0.1 1 1673 558 178 TYR CA C 57.04 0.1 1 1674 558 178 TYR CB C 39.69 0.1 1 1675 558 178 TYR N N 127.2 0.05 1 1676 559 179 ARG H H 8.91 0.02 1 1677 559 179 ARG HA H 4.68 0.02 1 1678 559 179 ARG HB2 H 1.75 0.02 1 1679 559 179 ARG HB3 H 1.75 0.02 1 1680 559 179 ARG HD2 H 3.15 0.02 1 1681 559 179 ARG HD3 H 3.15 0.02 1 1682 559 179 ARG HG2 H 1.54 0.02 1 1683 559 179 ARG HG3 H 1.54 0.02 1 1684 559 179 ARG C C 174.6 0.1 1 1685 559 179 ARG CA C 55.79 0.1 1 1686 559 179 ARG CB C 30.02 0.1 1 1687 559 179 ARG CG C 27.33 0.1 1 1688 559 179 ARG N N 124.8 0.05 1 1689 560 180 TRP H H 9.03 0.02 1 1690 560 180 TRP HA H 4.34 0.02 1 1691 560 180 TRP HB2 H 3.39 0.02 1 1692 560 180 TRP HB3 H 3.39 0.02 1 1693 560 180 TRP C C 175.5 0.1 1 1694 560 180 TRP CA C 59.41 0.1 1 1695 560 180 TRP CB C 30.54 0.1 1 1696 560 180 TRP N N 128.4 0.05 1 1697 560 180 TRP NE1 N 132.7 0.05 1 1698 561 181 GLN H H 7.76 0.02 1 1699 561 181 GLN HA H 4.09 0.02 1 1700 561 181 GLN HB2 H 1.81 0.02 1 1701 561 181 GLN HB3 H 1.81 0.02 1 1702 561 181 GLN HE21 H 7.41 0.02 1 1703 561 181 GLN HE22 H 6.76 0.02 1 1704 561 181 GLN HG2 H 2.16 0.02 1 1705 561 181 GLN HG3 H 2.16 0.02 1 1706 561 181 GLN C C 174.3 0.1 1 1707 561 181 GLN CA C 55.44 0.1 1 1708 561 181 GLN CB C 30.76 0.1 1 1709 561 181 GLN CG C 33.65 0.1 1 1710 561 181 GLN N N 125.7 0.05 1 1711 561 181 GLN NE2 N 111.8 0.05 1 1712 562 182 GLY H H 7.25 0.02 1 1713 562 182 GLY HA2 H 3.46 0.02 1 1714 562 182 GLY HA3 H 3.46 0.02 1 1715 562 182 GLY C C 174.0 0.1 1 1716 562 182 GLY CA C 45.15 0.1 1 1717 562 182 GLY N N 108.8 0.05 1 1718 563 183 GLY H H 8.30 0.02 1 1719 563 183 GLY HA2 H 3.50 0.02 1 1720 563 183 GLY HA3 H 3.91 0.02 1 1721 563 183 GLY C C 174.0 0.1 1 1722 563 183 GLY CA C 45.18 0.1 1 1723 563 183 GLY N N 108.7 0.05 1 1724 564 184 GLU H H 8.36 0.02 1 1725 564 184 GLU HA H 4.24 0.02 1 1726 564 184 GLU HB2 H 1.92 0.02 1 1727 564 184 GLU HB3 H 1.92 0.02 1 1728 564 184 GLU HG2 H 2.20 0.02 1 1729 564 184 GLU HG3 H 2.20 0.02 1 1730 564 184 GLU C C 176.4 0.1 1 1731 564 184 GLU CA C 56.60 0.1 1 1732 564 184 GLU CB C 30.29 0.1 1 1733 564 184 GLU CG C 36.22 0.1 1 1734 564 184 GLU N N 120.6 0.05 1 1735 565 185 GLN H H 8.42 0.02 1 1736 565 185 GLN HA H 4.28 0.02 1 1737 565 185 GLN HB2 H 1.99 0.02 1 1738 565 185 GLN HB3 H 1.99 0.02 1 1739 565 185 GLN HE21 H 7.42 0.02 1 1740 565 185 GLN HE22 H 6.78 0.02 1 1741 565 185 GLN HG2 H 2.32 0.02 1 1742 565 185 GLN HG3 H 2.32 0.02 1 1743 565 185 GLN C C 175.6 0.1 1 1744 565 185 GLN CA C 55.70 0.1 1 1745 565 185 GLN CB C 29.27 0.1 1 1746 565 185 GLN CG C 33.78 0.1 1 1747 565 185 GLN N N 121.7 0.05 1 1748 565 185 GLN NE2 N 111.9 0.05 1 1749 566 186 ARG H H 8.35 0.02 1 1750 566 186 ARG HA H 4.72 0.02 1 1751 566 186 ARG HB2 H 1.82 0.02 1 1752 566 186 ARG HB3 H 1.82 0.02 1 1753 566 186 ARG HD2 H 3.36 0.02 1 1754 566 186 ARG HD3 H 3.36 0.02 1 1755 566 186 ARG HG2 H 1.68 0.02 1 1756 566 186 ARG HG3 H 1.68 0.02 1 1757 566 186 ARG C C 174.1 0.1 1 1758 566 186 ARG CA C 53.90 0.1 1 1759 566 186 ARG CB C 30.20 0.1 1 1760 567 187 PRO HA H 4.41 0.02 1 1761 567 187 PRO HB2 H 2.28 0.02 1 1762 567 187 PRO HB3 H 2.28 0.02 1 1763 567 187 PRO HD3 H 3.62 0.02 1 1764 567 187 PRO HG2 H 1.96 0.02 1 1765 567 187 PRO HG3 H 1.96 0.02 1 1766 567 187 PRO C C 176.4 0.1 1 1767 567 187 PRO CA C 63.04 0.1 1 1768 567 187 PRO CB C 32.13 0.1 1 1769 567 187 PRO CG C 27.34 0.1 1 1770 568 188 ALA H H 8.41 0.02 1 1771 568 188 ALA HA H 4.38 0.02 1 1772 568 188 ALA HB H 1.39 0.02 1 1773 568 188 ALA C C 177.1 0.1 1 1774 568 188 ALA CA C 52.63 0.1 1 1775 568 188 ALA CB C 19.27 0.1 1 1776 568 188 ALA N N 124.9 0.05 1 1777 569 189 THR H H 7.63 0.02 1 1778 569 189 THR HA H 4.72 0.02 1 1779 569 189 THR HB H 4.21 0.02 1 1780 569 189 THR C C 179.2 0.1 1 1781 569 189 THR CA C 62.97 0.1 1 1782 569 189 THR CB C 70.95 0.1 1 1783 569 189 THR N N 118.0 0.05 1 stop_ save_