data_17399 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of a novel CBM3 lacking the calcium-binding site ; _BMRB_accession_number 17399 _BMRB_flat_file_name bmr17399.str _Entry_type original _Submission_date 2011-01-07 _Accession_date 2011-01-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Paiva Joice H. . 2 Meza Andreia N. . 3 Sforca Mauricio L. . 4 Navarro Rodrigo Z. . 5 Neves Jorge L. . 6 Santos Camila R. . 7 Murakami Mario T. . 8 Zeri Ana C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 789 "13C chemical shifts" 583 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-20 original author . stop_ _Original_release_date 2011-12-20 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Dissecting structure-function-stability relationships of a thermostable GH5-CBM3 cellulase from Bacillus subtilis 168' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21880019 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Santos Camila R. . 2 Paiva Joice H. . 3 Sforca Mauricio L. . 4 Neves Jorge L. . 5 Navarro Rodrigo Z. . 6 Cota Junio . . 7 Akao Patricia K. . 8 Hoffmam Zaira B. . 9 Meza Andreia N. . 10 Smetana Juliana H. . 11 Nogueira Maria L. . 12 Polikarpov Igor . . 13 Neto Jose X. . 14 Squina Fabio M. . 15 Ward Richard J. . 16 Ruller Roberto . . 17 Zeri Ana C. . 18 Murakami Mario T. . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume 441 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 95 _Page_last 104 _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CBM3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBM3 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 16717.734 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MASISVQYRAGDGSMNSNQI RPQLQIKNNGNTTVDLKDVT ARYWYKAKNKGQNFDCDYAQ IGCGNVTHKFVTLHKPKQGA DTYLELGFKNGTLAPGASTG NIQLRLHNDDWSNYAQSGDY SFFKSNTFKTTKKITLYDQG KLIWGTEPN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 351 MET 2 352 ALA 3 353 SER 4 354 ILE 5 355 SER 6 356 VAL 7 357 GLN 8 358 TYR 9 359 ARG 10 360 ALA 11 361 GLY 12 362 ASP 13 363 GLY 14 364 SER 15 365 MET 16 366 ASN 17 367 SER 18 368 ASN 19 369 GLN 20 370 ILE 21 371 ARG 22 372 PRO 23 373 GLN 24 374 LEU 25 375 GLN 26 376 ILE 27 377 LYS 28 378 ASN 29 379 ASN 30 380 GLY 31 381 ASN 32 382 THR 33 383 THR 34 384 VAL 35 385 ASP 36 386 LEU 37 387 LYS 38 388 ASP 39 389 VAL 40 390 THR 41 391 ALA 42 392 ARG 43 393 TYR 44 394 TRP 45 395 TYR 46 396 LYS 47 397 ALA 48 398 LYS 49 399 ASN 50 400 LYS 51 401 GLY 52 402 GLN 53 403 ASN 54 404 PHE 55 405 ASP 56 406 CYS 57 407 ASP 58 408 TYR 59 409 ALA 60 410 GLN 61 411 ILE 62 412 GLY 63 413 CYS 64 414 GLY 65 415 ASN 66 416 VAL 67 417 THR 68 418 HIS 69 419 LYS 70 420 PHE 71 421 VAL 72 422 THR 73 423 LEU 74 424 HIS 75 425 LYS 76 426 PRO 77 427 LYS 78 428 GLN 79 429 GLY 80 430 ALA 81 431 ASP 82 432 THR 83 433 TYR 84 434 LEU 85 435 GLU 86 436 LEU 87 437 GLY 88 438 PHE 89 439 LYS 90 440 ASN 91 441 GLY 92 442 THR 93 443 LEU 94 444 ALA 95 445 PRO 96 446 GLY 97 447 ALA 98 448 SER 99 449 THR 100 450 GLY 101 451 ASN 102 452 ILE 103 453 GLN 104 454 LEU 105 455 ARG 106 456 LEU 107 457 HIS 108 458 ASN 109 459 ASP 110 460 ASP 111 461 TRP 112 462 SER 113 463 ASN 114 464 TYR 115 465 ALA 116 466 GLN 117 467 SER 118 468 GLY 119 469 ASP 120 470 TYR 121 471 SER 122 472 PHE 123 473 PHE 124 474 LYS 125 475 SER 126 476 ASN 127 477 THR 128 478 PHE 129 479 LYS 130 480 THR 131 481 THR 132 482 LYS 133 483 LYS 134 484 ILE 135 485 THR 136 486 LEU 137 487 TYR 138 488 ASP 139 489 GLN 140 490 GLY 141 491 LYS 142 492 LEU 143 493 ILE 144 494 TRP 145 495 GLY 146 496 THR 147 497 GLU 148 498 PRO 149 499 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 2L8A "Structure Of A Novel Cbm3 Lacking The Calcium-Binding Site" 100.00 149 100.00 100.00 1.31e-105 DBJ BAA00859 "CMCase [Bacillus subtilis]" 97.99 499 97.26 98.63 1.81e-96 DBJ BAI85501 "endo-1,4-beta-glucanase [Bacillus subtilis subsp. natto BEST195]" 97.99 499 98.63 98.63 7.04e-98 DBJ BAL46915 "cellulase [Bacillus subtilis]" 97.99 499 98.63 98.63 6.74e-98 DBJ GAK81525 "endo-1,4-beta-glucanase [Bacillus subtilis Miyagi-4]" 97.99 499 98.63 98.63 7.04e-98 EMBL CAA28392 "unnamed protein product [Bacillus subtilis]" 97.99 499 100.00 100.00 1.42e-99 EMBL CAA47429 "cellulase [Bacillus subtilis]" 97.99 499 100.00 100.00 1.51e-99 EMBL CAA82317 "endo-1,4-beta-glucanase [Bacillus subtilis]" 97.99 499 100.00 100.00 1.42e-99 EMBL CAA97610 "endo-1,4-beta glucanase [Bacillus subtilis subsp. subtilis str. 168]" 97.99 508 100.00 100.00 1.23e-99 EMBL CAB13696 "endo-1,4-beta-glucanase [Bacillus subtilis subsp. subtilis str. 168]" 97.99 499 100.00 100.00 1.42e-99 GB AAC02536 "endo-b-1,4-glucanase [Bacillus sp. 79-23]" 97.99 499 98.63 98.63 7.04e-98 GB AAK39540 "alkali tolerable cellulase [Bacillus subtilis]" 97.99 499 100.00 100.00 1.54e-99 GB AAK94871 "endo-1,4-beta-glucanase [Bacillus subtilis]" 97.99 508 100.00 100.00 1.30e-99 GB AAO63626 "cellulase C [Bacillus subtilis]" 97.99 499 99.32 99.32 1.21e-98 GB AAV34758 "cellulase [Bacillus sp. HY2-3]" 97.99 499 99.32 100.00 4.04e-99 PRF 2106121A endo-beta-1,4-glucanase 97.99 499 100.00 100.00 1.51e-99 REF NP_389695 "endoglucanase [Bacillus subtilis subsp. subtilis str. 168]" 97.99 499 100.00 100.00 1.42e-99 REF WP_003231540 "MULTISPECIES: endoglucanase [Bacillus]" 97.99 499 100.00 100.00 1.42e-99 REF WP_014479947 "MULTISPECIES: endo-1,4-beta-glucanase [Bacillus]" 97.99 499 98.63 98.63 7.04e-98 REF WP_015251994 "endoglucanase [Bacillus subtilis]" 97.99 499 100.00 100.00 1.51e-99 REF WP_015383776 "cellulase C [Bacillus subtilis]" 97.99 499 97.95 98.63 8.41e-97 SP P10475 "RecName: Full=Endoglucanase; AltName: Full=Carboxymethyl-cellulase; Short=CMCase; Short=Cellulase; AltName: Full=Endo-1,4-beta-" 97.99 499 100.00 100.00 1.42e-99 SP P23549 "RecName: Full=Endoglucanase; AltName: Full=Carboxymethyl-cellulase; Short=CMCase; Short=Cellulase; AltName: Full=Endo-1,4-beta-" 97.99 499 97.26 98.63 1.81e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $entity 'recombinant technology' . Escherichia coli . pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'phosphate buffer pH 7.2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.3 mM '[U-99% 15N]' H2O 95 % 'relative abundance' D2O 5 % 'relative abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'phosphate buffer' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.3 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'relative abundance' D2O 5 % 'relative abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'phosphate buffer' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.3 mM '[U-100% 13C; U-100% 15N]' D2O 5 % 'relative 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 processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'cryogenic probe' 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 70 . mM pH 7.2 . pH pressure 1 . atm temperature 293 . 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 external indirect . . . 0.251449530 water H 1 protons ppm 4.82 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external 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' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CBM3 _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 1 351 1 MET HA H 4.970 0.020 1 2 351 1 MET HB2 H 2.268 0.020 2 3 351 1 MET HB3 H 2.268 0.020 2 4 351 1 MET HG2 H 2.379 0.020 2 5 351 1 MET HG3 H 2.379 0.020 2 6 351 1 MET C C 175.390 0.600 1 7 351 1 MET CA C 55.290 0.600 1 8 351 1 MET CB C 33.400 0.600 1 9 352 2 ALA H H 8.620 0.020 1 10 352 2 ALA HA H 4.298 0.020 1 11 352 2 ALA HB H 1.363 0.020 1 12 352 2 ALA C C 177.111 0.600 1 13 352 2 ALA CA C 52.430 0.600 1 14 352 2 ALA CB C 19.610 0.600 1 15 352 2 ALA N N 125.980 0.500 1 16 353 3 SER H H 8.620 0.020 1 17 353 3 SER HA H 4.778 0.020 1 18 353 3 SER HB2 H 3.770 0.020 2 19 353 3 SER HB3 H 3.698 0.020 2 20 353 3 SER C C 173.156 0.600 1 21 353 3 SER CA C 57.800 0.600 1 22 353 3 SER CB C 63.310 0.600 1 23 353 3 SER N N 116.840 0.500 1 24 354 4 ILE H H 7.740 0.020 1 25 354 4 ILE HA H 5.330 0.020 1 26 354 4 ILE HB H 1.516 0.020 1 27 354 4 ILE HG12 H 1.344 0.020 1 28 354 4 ILE HG13 H 1.344 0.020 1 29 354 4 ILE HG2 H 0.885 0.020 1 30 354 4 ILE HD1 H 0.674 0.020 1 31 354 4 ILE C C 171.727 0.600 1 32 354 4 ILE CA C 58.500 0.600 1 33 354 4 ILE CB C 41.000 0.600 1 34 354 4 ILE CG1 C 25.550 0.600 1 35 354 4 ILE CG2 C 18.565 0.600 1 36 354 4 ILE CD1 C 14.654 0.600 1 37 354 4 ILE N N 118.810 0.500 1 38 355 5 SER H H 8.350 0.020 1 39 355 5 SER HA H 4.688 0.020 1 40 355 5 SER HB2 H 3.766 0.020 2 41 355 5 SER HB3 H 3.696 0.020 2 42 355 5 SER C C 171.361 0.600 1 43 355 5 SER CA C 56.570 0.600 1 44 355 5 SER CB C 64.730 0.600 1 45 355 5 SER N N 114.200 0.500 1 46 356 6 VAL H H 5.400 0.020 1 47 356 6 VAL HA H 5.910 0.020 1 48 356 6 VAL HB H 2.810 0.020 1 49 356 6 VAL HG1 H 1.121 0.020 2 50 356 6 VAL HG2 H 0.990 0.020 2 51 356 6 VAL C C 173.778 0.600 1 52 356 6 VAL CA C 59.500 0.600 1 53 356 6 VAL CB C 35.270 0.600 1 54 356 6 VAL CG1 C 23.420 0.600 1 55 356 6 VAL CG2 C 21.720 0.600 1 56 356 6 VAL N N 114.200 0.500 1 57 357 7 GLN H H 8.720 0.020 1 58 357 7 GLN HA H 5.167 0.020 1 59 357 7 GLN HB2 H 1.860 0.020 2 60 357 7 GLN HB3 H 1.717 0.020 2 61 357 7 GLN HG2 H 2.169 0.020 2 62 357 7 GLN HG3 H 2.169 0.020 2 63 357 7 GLN C C 174.767 0.600 1 64 357 7 GLN CA C 54.280 0.600 1 65 357 7 GLN CB C 32.900 0.600 1 66 357 7 GLN CG C 34.505 0.600 1 67 357 7 GLN N N 123.670 0.500 1 68 358 8 TYR H H 9.170 0.020 1 69 358 8 TYR HA H 6.143 0.020 1 70 358 8 TYR HB2 H 3.400 0.020 2 71 358 8 TYR HB3 H 2.612 0.020 2 72 358 8 TYR HD1 H 6.915 0.020 3 73 358 8 TYR HD2 H 6.915 0.020 3 74 358 8 TYR HE1 H 6.854 0.020 3 75 358 8 TYR HE2 H 6.854 0.020 3 76 358 8 TYR C C 173.668 0.600 1 77 358 8 TYR CA C 56.500 0.600 1 78 358 8 TYR CB C 45.570 0.600 1 79 358 8 TYR CD1 C 131.437 0.600 3 80 358 8 TYR CD2 C 131.437 0.600 3 81 358 8 TYR CE1 C 117.855 0.600 3 82 358 8 TYR CE2 C 117.855 0.600 3 83 358 8 TYR N N 125.480 0.500 1 84 359 9 ARG H H 8.200 0.020 1 85 359 9 ARG HA H 4.610 0.020 1 86 359 9 ARG HB2 H 1.965 0.020 2 87 359 9 ARG HB3 H 1.965 0.020 2 88 359 9 ARG HG2 H 1.589 0.020 2 89 359 9 ARG HG3 H 1.589 0.020 2 90 359 9 ARG HD2 H 3.500 0.020 2 91 359 9 ARG HD3 H 3.500 0.020 2 92 359 9 ARG HE H 7.200 0.020 1 93 359 9 ARG HH21 H 6.175 0.020 1 94 359 9 ARG C C 172.240 0.600 1 95 359 9 ARG CA C 55.300 0.600 1 96 359 9 ARG CB C 32.950 0.600 1 97 359 9 ARG CG C 28.826 0.600 1 98 359 9 ARG CD C 42.270 0.600 1 99 359 9 ARG N N 125.000 0.500 1 100 360 10 ALA H H 7.590 0.020 1 101 360 10 ALA HA H 4.342 0.020 1 102 360 10 ALA HB H 1.355 0.020 1 103 360 10 ALA C C 179.711 0.600 1 104 360 10 ALA CA C 51.980 0.600 1 105 360 10 ALA CB C 20.110 0.600 1 106 360 10 ALA N N 123.870 0.500 1 107 361 11 GLY H H 9.250 0.020 1 108 361 11 GLY HA2 H 3.976 0.020 2 109 361 11 GLY HA3 H 3.976 0.020 2 110 361 11 GLY C C 173.888 0.600 1 111 361 11 GLY CA C 45.370 0.600 1 112 361 11 GLY N N 108.830 0.500 1 113 362 12 ASP H H 8.400 0.020 1 114 362 12 ASP HA H 4.775 0.020 1 115 362 12 ASP HB2 H 2.831 0.020 2 116 362 12 ASP HB3 H 2.831 0.020 2 117 362 12 ASP CA C 55.190 0.600 1 118 362 12 ASP CB C 42.370 0.600 1 119 362 12 ASP N N 121.480 0.500 1 120 363 13 GLY H H 8.313 0.020 1 121 363 13 GLY HA2 H 3.596 0.020 2 122 363 13 GLY HA3 H 3.964 0.020 2 123 363 13 GLY CA C 44.105 0.600 1 124 363 13 GLY N N 108.975 0.500 1 125 364 14 SER H H 8.355 0.020 1 126 364 14 SER HA H 4.547 0.020 1 127 364 14 SER HB2 H 3.909 0.020 2 128 364 14 SER HB3 H 3.909 0.020 2 129 364 14 SER C C 172.272 0.600 1 130 364 14 SER CA C 59.977 0.600 1 131 364 14 SER CB C 71.970 0.600 1 132 364 14 SER N N 114.820 0.500 1 133 365 15 MET H H 7.760 0.020 1 134 365 15 MET HA H 4.410 0.020 1 135 365 15 MET HB2 H 2.970 0.020 2 136 365 15 MET HB3 H 2.970 0.020 2 137 365 15 MET HG2 H 2.375 0.020 2 138 365 15 MET HG3 H 2.375 0.020 2 139 365 15 MET C C 173.329 0.600 1 140 365 15 MET CA C 59.206 0.600 1 141 365 15 MET CB C 33.200 0.600 1 142 365 15 MET CG C 32.624 0.600 1 143 365 15 MET N N 115.200 0.500 1 144 366 16 ASN H H 8.330 0.020 1 145 366 16 ASN HA H 4.953 0.020 1 146 366 16 ASN HB2 H 3.436 0.020 2 147 366 16 ASN HB3 H 3.436 0.020 2 148 366 16 ASN C C 174.266 0.600 1 149 366 16 ASN CA C 52.282 0.600 1 150 366 16 ASN CB C 38.251 0.600 1 151 366 16 ASN N N 118.310 0.500 1 152 367 17 SER H H 7.614 0.020 1 153 367 17 SER HA H 4.710 0.020 1 154 367 17 SER HB2 H 3.812 0.020 2 155 367 17 SER HB3 H 4.188 0.020 2 156 367 17 SER CA C 57.333 0.600 1 157 367 17 SER CB C 65.283 0.600 1 158 367 17 SER N N 114.160 0.500 1 159 368 18 ASN H H 8.650 0.020 1 160 368 18 ASN HA H 4.953 0.020 1 161 368 18 ASN HB2 H 2.980 0.020 2 162 368 18 ASN HB3 H 3.413 0.020 2 163 368 18 ASN C C 175.367 0.600 1 164 368 18 ASN CA C 52.749 0.600 1 165 368 18 ASN CB C 37.857 0.600 1 166 368 18 ASN N N 117.160 0.500 1 167 369 19 GLN H H 8.115 0.020 1 168 369 19 GLN HA H 5.847 0.020 1 169 369 19 GLN HB2 H 1.946 0.020 2 170 369 19 GLN HB3 H 1.946 0.020 2 171 369 19 GLN HG2 H 2.752 0.020 2 172 369 19 GLN HG3 H 2.387 0.020 2 173 369 19 GLN C C 175.219 0.600 1 174 369 19 GLN CA C 55.330 0.600 1 175 369 19 GLN CB C 34.700 0.600 1 176 369 19 GLN CG C 35.848 0.600 1 177 369 19 GLN N N 115.712 0.500 1 178 370 20 ILE H H 7.970 0.020 1 179 370 20 ILE HA H 4.819 0.020 1 180 370 20 ILE HB H 2.193 0.020 1 181 370 20 ILE HG12 H 1.700 0.020 1 182 370 20 ILE HG13 H 1.292 0.020 1 183 370 20 ILE HG2 H 0.825 0.020 1 184 370 20 ILE HD1 H 0.620 0.020 1 185 370 20 ILE C C 176.529 0.600 1 186 370 20 ILE CA C 61.480 0.600 1 187 370 20 ILE CB C 38.770 0.600 1 188 370 20 ILE CG1 C 28.570 0.600 1 189 370 20 ILE CG2 C 16.580 0.600 1 190 370 20 ILE CD1 C 15.730 0.600 1 191 370 20 ILE N N 125.900 0.500 1 192 371 21 ARG H H 9.260 0.020 1 193 371 21 ARG HA H 5.403 0.020 1 194 371 21 ARG HB2 H 1.999 0.020 2 195 371 21 ARG HB3 H 1.999 0.020 2 196 371 21 ARG HG2 H 1.486 0.020 2 197 371 21 ARG HG3 H 1.429 0.020 2 198 371 21 ARG HD2 H 3.139 0.020 2 199 371 21 ARG HD3 H 3.139 0.020 2 200 371 21 ARG HE H 7.680 0.020 1 201 371 21 ARG CA C 52.840 0.600 1 202 371 21 ARG CB C 32.640 0.600 1 203 371 21 ARG CG C 27.878 0.600 1 204 371 21 ARG CD C 43.907 0.600 1 205 371 21 ARG N N 127.620 0.500 1 206 372 22 PRO HA H 4.720 0.020 1 207 372 22 PRO HB2 H 2.390 0.020 2 208 372 22 PRO HB3 H 2.250 0.020 2 209 372 22 PRO HG2 H 2.290 0.020 2 210 372 22 PRO HG3 H 1.915 0.020 2 211 372 22 PRO HD2 H 3.664 0.020 2 212 372 22 PRO HD3 H 3.824 0.020 2 213 372 22 PRO C C 176.490 0.600 1 214 372 22 PRO CA C 63.112 0.600 1 215 372 22 PRO CB C 31.423 0.600 1 216 372 22 PRO CG C 27.430 0.600 1 217 372 22 PRO CD C 51.710 0.600 1 218 373 23 GLN H H 7.800 0.020 1 219 373 23 GLN HA H 5.611 0.020 1 220 373 23 GLN HB2 H 1.985 0.020 2 221 373 23 GLN HB3 H 1.985 0.020 2 222 373 23 GLN HG2 H 2.535 0.020 2 223 373 23 GLN HG3 H 2.216 0.020 2 224 373 23 GLN C C 174.840 0.600 1 225 373 23 GLN CA C 54.500 0.600 1 226 373 23 GLN CB C 29.650 0.600 1 227 373 23 GLN CG C 33.788 0.600 1 228 373 23 GLN N N 120.850 0.500 1 229 374 24 LEU H H 9.360 0.020 1 230 374 24 LEU HA H 6.420 0.020 1 231 374 24 LEU HB2 H 1.812 0.020 2 232 374 24 LEU HB3 H 1.812 0.020 2 233 374 24 LEU HG H 1.719 0.020 1 234 374 24 LEU HD1 H 0.848 0.020 2 235 374 24 LEU HD2 H 0.976 0.020 2 236 374 24 LEU C C 175.353 0.600 1 237 374 24 LEU CA C 54.270 0.600 1 238 374 24 LEU CB C 47.900 0.600 1 239 374 24 LEU CG C 26.624 0.600 1 240 374 24 LEU N N 120.650 0.500 1 241 375 25 GLN H H 8.840 0.020 1 242 375 25 GLN HA H 4.610 0.020 1 243 375 25 GLN HB2 H 1.576 0.020 2 244 375 25 GLN HB3 H 1.576 0.020 2 245 375 25 GLN HG2 H 1.771 0.020 2 246 375 25 GLN HG3 H 1.771 0.020 2 247 375 25 GLN C C 174.401 0.600 1 248 375 25 GLN CA C 55.700 0.600 1 249 375 25 GLN CB C 32.700 0.600 1 250 375 25 GLN N N 114.820 0.500 1 251 376 26 ILE H H 8.220 0.020 1 252 376 26 ILE HA H 4.839 0.020 1 253 376 26 ILE HB H 1.564 0.020 1 254 376 26 ILE HG2 H 0.990 0.020 1 255 376 26 ILE HD1 H 0.620 0.020 1 256 376 26 ILE C C 173.412 0.600 1 257 376 26 ILE CA C 60.200 0.600 1 258 376 26 ILE CB C 40.170 0.600 1 259 376 26 ILE CG1 C 28.147 0.600 1 260 376 26 ILE CD1 C 16.953 0.600 1 261 376 26 ILE N N 122.340 0.500 1 262 377 27 LYS H H 8.380 0.020 1 263 377 27 LYS HA H 4.848 0.020 1 264 377 27 LYS HB2 H 2.190 0.020 2 265 377 27 LYS HB3 H 1.936 0.020 2 266 377 27 LYS HG2 H 1.481 0.020 2 267 377 27 LYS HG3 H 1.372 0.020 2 268 377 27 LYS HD2 H 1.726 0.020 2 269 377 27 LYS HE2 H 2.979 0.020 2 270 377 27 LYS C C 173.888 0.600 1 271 377 27 LYS CA C 54.360 0.600 1 272 377 27 LYS CB C 36.220 0.600 1 273 377 27 LYS CG C 25.120 0.600 1 274 377 27 LYS CD C 29.132 0.600 1 275 377 27 LYS CE C 42.270 0.600 1 276 377 27 LYS N N 126.830 0.500 1 277 378 28 ASN H H 8.530 0.020 1 278 378 28 ASN HA H 4.913 0.020 1 279 378 28 ASN HB2 H 3.402 0.020 2 280 378 28 ASN HB3 H 2.170 0.020 2 281 378 28 ASN C C 174.840 0.600 1 282 378 28 ASN CA C 51.550 0.600 1 283 378 28 ASN CB C 38.380 0.600 1 284 378 28 ASN N N 119.990 0.500 1 285 379 29 ASN H H 8.670 0.020 1 286 379 29 ASN HA H 4.876 0.020 1 287 379 29 ASN HB2 H 2.421 0.020 2 288 379 29 ASN HB3 H 2.809 0.020 2 289 379 29 ASN C C 175.500 0.600 1 290 379 29 ASN CA C 53.370 0.600 1 291 379 29 ASN CB C 39.860 0.600 1 292 379 29 ASN N N 123.170 0.500 1 293 380 30 GLY H H 8.310 0.020 1 294 380 30 GLY HA2 H 4.545 0.020 2 295 380 30 GLY HA3 H 4.108 0.020 2 296 380 30 GLY C C 173.900 0.600 1 297 380 30 GLY CA C 44.400 0.600 1 298 380 30 GLY N N 108.980 0.500 1 299 381 31 ASN H H 8.450 0.020 1 300 381 31 ASN HA H 4.960 0.020 1 301 381 31 ASN HB2 H 2.752 0.020 2 302 381 31 ASN HB3 H 3.710 0.020 2 303 381 31 ASN C C 175.353 0.600 1 304 381 31 ASN CA C 52.760 0.600 1 305 381 31 ASN CB C 39.610 0.600 1 306 381 31 ASN N N 113.810 0.500 1 307 382 32 THR H H 7.610 0.020 1 308 382 32 THR HA H 4.639 0.020 1 309 382 32 THR HB H 4.228 0.020 1 310 382 32 THR HG2 H 1.900 0.020 1 311 382 32 THR C C 173.559 0.600 1 312 382 32 THR CA C 59.380 0.600 1 313 382 32 THR CB C 70.950 0.600 1 314 382 32 THR CG2 C 21.878 0.600 1 315 382 32 THR N N 110.500 0.500 1 316 383 33 THR H H 8.660 0.020 1 317 383 33 THR HA H 5.650 0.020 1 318 383 33 THR HB H 4.201 0.020 1 319 383 33 THR HG2 H 1.552 0.020 1 320 383 33 THR C C 174.350 0.600 1 321 383 33 THR CA C 63.690 0.600 1 322 383 33 THR CB C 69.300 0.600 1 323 383 33 THR CG2 C 23.132 0.600 1 324 383 33 THR N N 119.340 0.500 1 325 384 34 VAL H H 8.190 0.020 1 326 384 34 VAL HA H 4.130 0.020 1 327 384 34 VAL HB H 1.733 0.020 1 328 384 34 VAL HG1 H 0.662 0.020 2 329 384 34 VAL HG2 H 0.770 0.020 2 330 384 34 VAL C C 173.852 0.600 1 331 384 34 VAL CA C 61.200 0.600 1 332 384 34 VAL CB C 35.140 0.600 1 333 384 34 VAL CG1 C 21.134 0.600 1 334 384 34 VAL CG2 C 21.772 0.600 1 335 384 34 VAL N N 128.270 0.500 1 336 385 35 ASP H H 8.970 0.020 1 337 385 35 ASP HA H 4.653 0.020 1 338 385 35 ASP HB2 H 2.911 0.020 2 339 385 35 ASP HB3 H 2.467 0.020 2 340 385 35 ASP C C 176.818 0.600 1 341 385 35 ASP CA C 53.280 0.600 1 342 385 35 ASP CB C 40.780 0.600 1 343 385 35 ASP N N 128.510 0.500 1 344 386 36 LEU H H 8.280 0.020 1 345 386 36 LEU HA H 3.664 0.020 1 346 386 36 LEU HB2 H 1.317 0.020 2 347 386 36 LEU HB3 H 1.290 0.020 2 348 386 36 LEU HD1 H 0.720 0.020 2 349 386 36 LEU HD2 H 0.239 0.020 2 350 386 36 LEU C C 178.393 0.600 1 351 386 36 LEU CA C 57.190 0.600 1 352 386 36 LEU CB C 39.846 0.600 1 353 386 36 LEU CG C 29.311 0.600 1 354 386 36 LEU CD1 C 21.341 0.600 1 355 386 36 LEU CD2 C 25.341 0.600 1 356 386 36 LEU N N 125.300 0.500 1 357 387 37 LYS H H 8.600 0.020 1 358 387 37 LYS HA H 4.378 0.020 1 359 387 37 LYS HB2 H 1.722 0.020 2 360 387 37 LYS HB3 H 1.722 0.020 2 361 387 37 LYS HG2 H 1.346 0.020 2 362 387 37 LYS HG3 H 1.346 0.020 2 363 387 37 LYS HD2 H 1.735 0.020 2 364 387 37 LYS HD3 H 1.735 0.020 2 365 387 37 LYS HE2 H 3.126 0.020 2 366 387 37 LYS HE3 H 3.126 0.020 2 367 387 37 LYS C C 178.906 0.600 1 368 387 37 LYS CA C 59.100 0.600 1 369 387 37 LYS CB C 31.500 0.600 1 370 387 37 LYS CG C 24.378 0.600 1 371 387 37 LYS CD C 29.660 0.600 1 372 387 37 LYS CE C 41.237 0.600 1 373 387 37 LYS N N 116.840 0.500 1 374 388 38 ASP H H 7.520 0.020 1 375 388 38 ASP HA H 4.750 0.020 1 376 388 38 ASP HB2 H 2.886 0.020 2 377 388 38 ASP HB3 H 2.886 0.020 2 378 388 38 ASP C C 176.488 0.600 1 379 388 38 ASP CA C 55.170 0.600 1 380 388 38 ASP CB C 42.400 0.600 1 381 388 38 ASP N N 117.640 0.500 1 382 389 39 VAL H H 8.160 0.020 1 383 389 39 VAL HA H 5.319 0.020 1 384 389 39 VAL HB H 2.269 0.020 1 385 389 39 VAL HG1 H 0.918 0.020 2 386 389 39 VAL HG2 H 0.837 0.020 2 387 389 39 VAL C C 176.452 0.600 1 388 389 39 VAL CA C 62.110 0.600 1 389 389 39 VAL CB C 33.370 0.600 1 390 389 39 VAL CG1 C 21.968 0.600 1 391 389 39 VAL CG2 C 21.968 0.600 1 392 389 39 VAL N N 124.140 0.500 1 393 390 40 THR H H 8.690 0.020 1 394 390 40 THR HA H 5.600 0.020 1 395 390 40 THR HB H 3.945 0.020 1 396 390 40 THR HG2 H 1.660 0.020 1 397 390 40 THR C C 173.522 0.600 1 398 390 40 THR CA C 58.350 0.600 1 399 390 40 THR CB C 73.960 0.600 1 400 390 40 THR CG2 C 23.938 0.600 1 401 390 40 THR N N 115.660 0.500 1 402 391 41 ALA H H 9.400 0.020 1 403 391 41 ALA HA H 6.125 0.020 1 404 391 41 ALA HB H 1.201 0.020 1 405 391 41 ALA C C 176.965 0.600 1 406 391 41 ALA CA C 49.330 0.600 1 407 391 41 ALA CB C 23.311 0.600 1 408 391 41 ALA N N 121.810 0.500 1 409 392 42 ARG H H 9.360 0.020 1 410 392 42 ARG HA H 5.382 0.020 1 411 392 42 ARG HB2 H 1.799 0.020 2 412 392 42 ARG HB3 H 1.172 0.020 2 413 392 42 ARG HG2 H 1.445 0.020 2 414 392 42 ARG HG3 H 1.445 0.020 2 415 392 42 ARG HD2 H 3.229 0.020 2 416 392 42 ARG HD3 H 3.229 0.020 2 417 392 42 ARG C C 172.570 0.600 1 418 392 42 ARG CA C 55.160 0.600 1 419 392 42 ARG CB C 33.270 0.600 1 420 392 42 ARG CG C 28.147 0.600 1 421 392 42 ARG CD C 42.564 0.600 1 422 392 42 ARG N N 118.240 0.500 1 423 393 43 TYR H H 8.750 0.020 1 424 393 43 TYR HA H 4.814 0.020 1 425 393 43 TYR HB2 H 3.297 0.020 2 426 393 43 TYR HB3 H 3.297 0.020 2 427 393 43 TYR HD1 H 6.915 0.020 3 428 393 43 TYR HD2 H 6.915 0.020 3 429 393 43 TYR HE1 H 6.851 0.020 3 430 393 43 TYR HE2 H 6.851 0.020 3 431 393 43 TYR C C 173.925 0.600 1 432 393 43 TYR CA C 57.710 0.600 1 433 393 43 TYR CB C 42.220 0.600 1 434 393 43 TYR CD1 C 130.947 0.600 3 435 393 43 TYR CD2 C 130.947 0.600 3 436 393 43 TYR CE1 C 118.650 0.600 3 437 393 43 TYR CE2 C 118.650 0.600 3 438 393 43 TYR N N 124.000 0.500 1 439 394 44 TRP H H 9.560 0.020 1 440 394 44 TRP HA H 5.187 0.020 1 441 394 44 TRP HB2 H 3.652 0.020 2 442 394 44 TRP HB3 H 3.161 0.020 2 443 394 44 TRP HE1 H 9.779 0.020 1 444 394 44 TRP HE3 H 7.340 0.020 1 445 394 44 TRP HZ2 H 7.304 0.020 1 446 394 44 TRP C C 174.657 0.600 1 447 394 44 TRP CA C 56.958 0.600 1 448 394 44 TRP CB C 30.300 0.600 1 449 394 44 TRP CE3 C 118.151 0.600 1 450 394 44 TRP CZ2 C 111.374 0.600 1 451 394 44 TRP N N 130.960 0.500 1 452 394 44 TRP NE1 N 127.619 0.500 1 453 395 45 TYR H H 9.150 0.020 1 454 395 45 TYR HA H 5.333 0.020 1 455 395 45 TYR HB2 H 3.352 0.020 2 456 395 45 TYR HB3 H 3.930 0.020 2 457 395 45 TYR HD1 H 6.909 0.020 3 458 395 45 TYR HD2 H 6.909 0.020 3 459 395 45 TYR HE1 H 6.871 0.020 3 460 395 45 TYR HE2 H 6.871 0.020 3 461 395 45 TYR C C 174.108 0.600 1 462 395 45 TYR CA C 56.958 0.600 1 463 395 45 TYR CB C 38.438 0.600 1 464 395 45 TYR CD1 C 131.970 0.600 3 465 395 45 TYR CD2 C 131.970 0.600 3 466 395 45 TYR CE1 C 117.764 0.600 3 467 395 45 TYR CE2 C 117.764 0.600 3 468 395 45 TYR N N 120.510 0.500 1 469 396 46 LYS H H 9.110 0.020 1 470 396 46 LYS HA H 4.337 0.020 1 471 396 46 LYS HB2 H 1.924 0.020 2 472 396 46 LYS HB3 H 1.661 0.020 2 473 396 46 LYS HG2 H 1.281 0.020 2 474 396 46 LYS HG3 H 1.281 0.020 2 475 396 46 LYS HD2 H 1.697 0.020 2 476 396 46 LYS HD3 H 1.697 0.020 2 477 396 46 LYS HE2 H 3.300 0.020 2 478 396 46 LYS HE3 H 3.300 0.020 2 479 396 46 LYS C C 174.474 0.600 1 480 396 46 LYS CA C 55.836 0.600 1 481 396 46 LYS CB C 32.732 0.600 1 482 396 46 LYS CG C 26.904 0.600 1 483 396 46 LYS CD C 28.978 0.600 1 484 396 46 LYS CE C 42.670 0.600 1 485 396 46 LYS N N 120.830 0.500 1 486 397 47 ALA H H 10.670 0.020 1 487 397 47 ALA HA H 4.769 0.020 1 488 397 47 ALA HB H 1.302 0.020 1 489 397 47 ALA C C 179.601 0.600 1 490 397 47 ALA CA C 51.160 0.600 1 491 397 47 ALA CB C 20.200 0.600 1 492 397 47 ALA N N 128.940 0.500 1 493 398 48 LYS H H 9.910 0.020 1 494 398 48 LYS C C 175.536 0.600 1 495 398 48 LYS CA C 56.865 0.600 1 496 398 48 LYS CB C 29.440 0.600 1 497 398 48 LYS N N 120.160 0.500 1 498 399 49 ASN H H 8.570 0.020 1 499 399 49 ASN HA H 4.166 0.020 1 500 399 49 ASN HB2 H 2.992 0.020 2 501 399 49 ASN HB3 H 2.769 0.020 2 502 399 49 ASN C C 174.802 0.600 1 503 399 49 ASN CA C 54.526 0.600 1 504 399 49 ASN CB C 37.720 0.600 1 505 399 49 ASN N N 110.160 0.500 1 506 400 50 LYS H H 7.350 0.020 1 507 400 50 LYS HA H 4.337 0.020 1 508 400 50 LYS HB2 H 1.535 0.020 2 509 400 50 LYS HB3 H 1.535 0.020 2 510 400 50 LYS HG2 H 1.676 0.020 2 511 400 50 LYS HG3 H 1.676 0.020 2 512 400 50 LYS HE2 H 2.987 0.020 2 513 400 50 LYS HE3 H 2.987 0.020 2 514 400 50 LYS C C 178.722 0.600 1 515 400 50 LYS CA C 55.181 0.600 1 516 400 50 LYS CB C 33.760 0.600 1 517 400 50 LYS CG C 27.870 0.600 1 518 400 50 LYS CD C 28.993 0.600 1 519 400 50 LYS CE C 42.253 0.600 1 520 400 50 LYS N N 118.820 0.500 1 521 401 51 GLY H H 9.400 0.020 1 522 401 51 GLY HA2 H 4.187 0.020 2 523 401 51 GLY HA3 H 3.788 0.020 2 524 401 51 GLY C C 173.460 0.600 1 525 401 51 GLY CA C 46.389 0.600 1 526 401 51 GLY N N 115.830 0.500 1 527 402 52 GLN H H 8.170 0.020 1 528 402 52 GLN HA H 4.319 0.020 1 529 402 52 GLN HB2 H 1.853 0.020 2 530 402 52 GLN HB3 H 1.853 0.020 2 531 402 52 GLN HG2 H 2.750 0.020 2 532 402 52 GLN HG3 H 2.750 0.020 2 533 402 52 GLN C C 175.500 0.600 1 534 402 52 GLN CA C 52.936 0.600 1 535 402 52 GLN CB C 30.768 0.600 1 536 402 52 GLN CG C 33.331 0.600 1 537 402 52 GLN N N 121.330 0.500 1 538 403 53 ASN H H 7.310 0.020 1 539 403 53 ASN HA H 4.783 0.020 1 540 403 53 ASN HB2 H 2.871 0.020 2 541 403 53 ASN HB3 H 2.871 0.020 2 542 403 53 ASN C C 172.200 0.600 1 543 403 53 ASN CA C 52.760 0.600 1 544 403 53 ASN CB C 41.431 0.600 1 545 403 53 ASN N N 117.500 0.500 1 546 404 54 PHE H H 9.800 0.020 1 547 404 54 PHE HA H 4.875 0.020 1 548 404 54 PHE HB2 H 2.507 0.020 2 549 404 54 PHE HB3 H 2.507 0.020 2 550 404 54 PHE HD1 H 6.929 0.020 3 551 404 54 PHE HD2 H 6.929 0.020 3 552 404 54 PHE C C 173.900 0.600 1 553 404 54 PHE CA C 56.958 0.600 1 554 404 54 PHE CB C 43.210 0.600 1 555 404 54 PHE CD1 C 131.970 0.600 3 556 404 54 PHE CD2 C 131.970 0.600 3 557 404 54 PHE N N 124.000 0.500 1 558 405 55 ASP H H 8.100 0.020 1 559 405 55 ASP HA H 4.486 0.020 1 560 405 55 ASP HB2 H 2.230 0.020 2 561 405 55 ASP HB3 H 2.230 0.020 2 562 405 55 ASP C C 172.130 0.600 1 563 405 55 ASP CA C 53.778 0.600 1 564 405 55 ASP CB C 45.547 0.600 1 565 405 55 ASP N N 124.980 0.500 1 566 406 56 CYS H H 8.640 0.020 1 567 406 56 CYS HA H 4.389 0.020 1 568 406 56 CYS HB2 H 3.107 0.020 2 569 406 56 CYS HB3 H 2.861 0.020 2 570 406 56 CYS C C 172.863 0.600 1 571 406 56 CYS CA C 54.994 0.600 1 572 406 56 CYS CB C 39.350 0.600 1 573 406 56 CYS N N 121.160 0.500 1 574 407 57 ASP H H 8.670 0.020 1 575 407 57 ASP HA H 4.627 0.020 1 576 407 57 ASP HB2 H 2.960 0.020 2 577 407 57 ASP HB3 H 2.664 0.020 2 578 407 57 ASP C C 176.672 0.600 1 579 407 57 ASP CA C 55.618 0.600 1 580 407 57 ASP CB C 41.890 0.600 1 581 407 57 ASP N N 129.150 0.500 1 582 408 58 TYR H H 7.660 0.020 1 583 408 58 TYR HA H 4.416 0.020 1 584 408 58 TYR HB2 H 3.393 0.020 2 585 408 58 TYR HB3 H 2.603 0.020 2 586 408 58 TYR HD1 H 6.909 0.020 3 587 408 58 TYR HD2 H 6.909 0.020 3 588 408 58 TYR C C 172.350 0.600 1 589 408 58 TYR CA C 58.828 0.600 1 590 408 58 TYR CB C 41.660 0.600 1 591 408 58 TYR CD1 C 131.357 0.600 3 592 408 58 TYR CD2 C 131.357 0.600 3 593 408 58 TYR N N 117.490 0.500 1 594 409 59 ALA H H 7.590 0.020 1 595 409 59 ALA HA H 4.930 0.020 1 596 409 59 ALA HB H 1.810 0.020 1 597 409 59 ALA C C 176.745 0.600 1 598 409 59 ALA CA C 50.500 0.600 1 599 409 59 ALA CB C 19.900 0.600 1 600 409 59 ALA N N 127.150 0.500 1 601 410 60 GLN H H 8.360 0.020 1 602 410 60 GLN HA H 3.937 0.020 1 603 410 60 GLN HB2 H 1.930 0.020 2 604 410 60 GLN HB3 H 1.930 0.020 2 605 410 60 GLN HG2 H 2.385 0.020 2 606 410 60 GLN HG3 H 2.385 0.020 2 607 410 60 GLN C C 178.270 0.600 1 608 410 60 GLN CA C 59.600 0.600 1 609 410 60 GLN CB C 28.149 0.600 1 610 410 60 GLN CG C 34.295 0.600 1 611 410 60 GLN N N 130.420 0.500 1 612 411 61 ILE H H 8.240 0.020 1 613 411 61 ILE HA H 4.230 0.020 1 614 411 61 ILE HB H 2.155 0.020 1 615 411 61 ILE HG12 H 1.429 0.020 1 616 411 61 ILE HG13 H 1.429 0.020 1 617 411 61 ILE HG2 H 0.969 0.020 1 618 411 61 ILE HD1 H 0.920 0.020 1 619 411 61 ILE C C 175.390 0.600 1 620 411 61 ILE CA C 62.900 0.600 1 621 411 61 ILE CB C 38.960 0.600 1 622 411 61 ILE CG1 C 26.430 0.600 1 623 411 61 ILE CG2 C 16.751 0.600 1 624 411 61 ILE CD1 C 15.340 0.600 1 625 411 61 ILE N N 111.100 0.500 1 626 412 62 GLY H H 7.500 0.020 1 627 412 62 GLY HA2 H 3.664 0.020 2 628 412 62 GLY HA3 H 4.458 0.020 2 629 412 62 GLY CA C 44.530 0.600 1 630 412 62 GLY N N 110.820 0.500 1 631 413 63 CYS H H 8.640 0.020 1 632 413 63 CYS HA H 4.389 0.020 1 633 413 63 CYS HB2 H 2.861 0.020 2 634 413 63 CYS HB3 H 2.861 0.020 2 635 413 63 CYS CA C 58.330 0.600 1 636 413 63 CYS CB C 38.999 0.600 1 637 413 63 CYS N N 121.160 0.500 1 638 414 64 GLY H H 8.410 0.020 1 639 414 64 GLY HA2 H 3.788 0.020 2 640 414 64 GLY HA3 H 4.130 0.020 2 641 414 64 GLY C C 174.364 0.600 1 642 414 64 GLY CA C 46.202 0.600 1 643 414 64 GLY N N 116.647 0.500 1 644 415 65 ASN H H 7.870 0.020 1 645 415 65 ASN HA H 4.972 0.020 1 646 415 65 ASN HB2 H 2.810 0.020 2 647 415 65 ASN HB3 H 2.810 0.020 2 648 415 65 ASN C C 173.998 0.600 1 649 415 65 ASN CA C 53.200 0.600 1 650 415 65 ASN CB C 40.450 0.600 1 651 415 65 ASN N N 115.970 0.500 1 652 416 66 VAL H H 7.490 0.020 1 653 416 66 VAL HA H 4.764 0.020 1 654 416 66 VAL HB H 2.332 0.020 1 655 416 66 VAL HG1 H 0.966 0.020 2 656 416 66 VAL HG2 H 0.966 0.020 2 657 416 66 VAL C C 175.756 0.600 1 658 416 66 VAL CA C 61.168 0.600 1 659 416 66 VAL CB C 33.200 0.600 1 660 416 66 VAL CG1 C 21.495 0.600 1 661 416 66 VAL CG2 C 21.475 0.600 1 662 416 66 VAL N N 120.150 0.500 1 663 417 67 THR H H 8.590 0.020 1 664 417 67 THR HA H 4.486 0.020 1 665 417 67 THR HB H 4.400 0.020 1 666 417 67 THR HG2 H 0.689 0.020 1 667 417 67 THR C C 172.240 0.600 1 668 417 67 THR CA C 59.380 0.600 1 669 417 67 THR CB C 70.200 0.600 1 670 417 67 THR CG2 C 20.860 0.600 1 671 417 67 THR N N 119.680 0.500 1 672 418 68 HIS H H 7.780 0.020 1 673 418 68 HIS HA H 5.375 0.020 1 674 418 68 HIS HB2 H 3.790 0.020 2 675 418 68 HIS HB3 H 3.790 0.020 2 676 418 68 HIS HD2 H 7.948 0.020 1 677 418 68 HIS HE1 H 7.425 0.020 1 678 418 68 HIS C C 173.339 0.600 1 679 418 68 HIS CA C 54.830 0.600 1 680 418 68 HIS CB C 32.920 0.600 1 681 418 68 HIS CD2 C 121.800 0.600 1 682 418 68 HIS CE1 C 132.558 0.600 1 683 418 68 HIS N N 115.300 0.500 1 684 419 69 LYS H H 7.750 0.020 1 685 419 69 LYS HA H 3.972 0.020 1 686 419 69 LYS HB2 H 1.580 0.020 2 687 419 69 LYS HB3 H 1.580 0.020 2 688 419 69 LYS HG2 H 1.303 0.020 2 689 419 69 LYS HG3 H 1.303 0.020 2 690 419 69 LYS HD2 H 1.711 0.020 2 691 419 69 LYS HD3 H 1.711 0.020 2 692 419 69 LYS HE2 H 3.930 0.020 2 693 419 69 LYS HE3 H 3.930 0.020 2 694 419 69 LYS C C 173.301 0.600 1 695 419 69 LYS CA C 55.462 0.600 1 696 419 69 LYS CB C 35.920 0.600 1 697 419 69 LYS CG C 23.972 0.600 1 698 419 69 LYS CD C 29.600 0.600 1 699 419 69 LYS CE C 41.505 0.600 1 700 419 69 LYS N N 116.660 0.500 1 701 420 70 PHE H H 8.820 0.020 1 702 420 70 PHE HA H 5.264 0.020 1 703 420 70 PHE HB2 H 3.366 0.020 2 704 420 70 PHE HB3 H 2.739 0.020 2 705 420 70 PHE HD1 H 7.276 0.020 3 706 420 70 PHE HD2 H 7.276 0.020 3 707 420 70 PHE HE1 H 7.276 0.020 3 708 420 70 PHE HE2 H 7.276 0.020 3 709 420 70 PHE C C 175.756 0.600 1 710 420 70 PHE CA C 57.239 0.600 1 711 420 70 PHE CB C 41.230 0.600 1 712 420 70 PHE N N 120.680 0.500 1 713 421 71 VAL H H 8.720 0.020 1 714 421 71 VAL HA H 3.902 0.020 1 715 421 71 VAL HB H 2.194 0.020 1 716 421 71 VAL HG1 H 0.989 0.020 2 717 421 71 VAL HG2 H 0.989 0.020 2 718 421 71 VAL C C 174.401 0.600 1 719 421 71 VAL CA C 61.266 0.600 1 720 421 71 VAL CB C 33.574 0.600 1 721 421 71 VAL CG1 C 21.109 0.600 1 722 421 71 VAL CG2 C 21.109 0.600 1 723 421 71 VAL N N 124.820 0.500 1 724 422 72 THR H H 8.520 0.020 1 725 422 72 THR HA H 4.263 0.020 1 726 422 72 THR HB H 3.856 0.020 1 727 422 72 THR HG2 H 1.145 0.020 1 728 422 72 THR C C 174.474 0.600 1 729 422 72 THR CA C 62.296 0.600 1 730 422 72 THR CB C 69.260 0.600 1 731 422 72 THR CG2 C 22.320 0.600 1 732 422 72 THR N N 123.850 0.500 1 733 423 73 LEU H H 8.340 0.020 1 734 423 73 LEU HA H 4.858 0.020 1 735 423 73 LEU HB2 H 2.300 0.020 2 736 423 73 LEU HB3 H 2.300 0.020 2 737 423 73 LEU HG H 1.731 0.020 1 738 423 73 LEU HD1 H 0.477 0.020 2 739 423 73 LEU C C 177.740 0.600 1 740 423 73 LEU CA C 54.620 0.600 1 741 423 73 LEU CB C 41.390 0.600 1 742 423 73 LEU CG C 29.152 0.600 1 743 423 73 LEU CD1 C 24.993 0.600 1 744 423 73 LEU CD2 C 24.993 0.600 1 745 423 73 LEU N N 127.320 0.500 1 746 424 74 HIS H H 8.130 0.020 1 747 424 74 HIS HA H 4.467 0.020 1 748 424 74 HIS HB2 H 2.495 0.020 2 749 424 74 HIS HB3 H 2.860 0.020 2 750 424 74 HIS HE1 H 7.718 0.020 1 751 424 74 HIS C C 175.638 0.600 1 752 424 74 HIS CA C 59.858 0.600 1 753 424 74 HIS CB C 32.545 0.600 1 754 424 74 HIS CE1 C 136.724 0.600 1 755 424 74 HIS N N 122.650 0.500 1 756 425 75 LYS H H 7.434 0.020 1 757 425 75 LYS HA H 4.416 0.020 1 758 425 75 LYS HB2 H 1.625 0.020 2 759 425 75 LYS HB3 H 1.625 0.020 2 760 425 75 LYS C C 173.790 0.600 1 761 425 75 LYS CA C 52.562 0.600 1 762 425 75 LYS CB C 34.420 0.600 1 763 425 75 LYS N N 116.990 0.500 1 764 426 76 PRO HA H 4.390 0.020 1 765 426 76 PRO HB2 H 2.337 0.020 2 766 426 76 PRO HB3 H 1.695 0.020 2 767 426 76 PRO HG2 H 1.990 0.020 2 768 426 76 PRO HG3 H 1.990 0.020 2 769 426 76 PRO HD2 H 3.683 0.020 2 770 426 76 PRO HD3 H 3.683 0.020 2 771 426 76 PRO C C 175.500 0.600 1 772 426 76 PRO CA C 63.599 0.600 1 773 426 76 PRO CB C 32.826 0.600 1 774 426 76 PRO CG C 27.415 0.600 1 775 426 76 PRO CD C 51.710 0.600 1 776 427 77 LYS H H 8.440 0.020 1 777 427 77 LYS HA H 4.639 0.020 1 778 427 77 LYS HB2 H 1.663 0.020 2 779 427 77 LYS HB3 H 1.663 0.020 2 780 427 77 LYS HG2 H 1.240 0.020 2 781 427 77 LYS HG3 H 1.240 0.020 2 782 427 77 LYS HD2 H 1.711 0.020 2 783 427 77 LYS HD3 H 1.711 0.020 2 784 427 77 LYS HE2 H 2.984 0.020 2 785 427 77 LYS HE3 H 2.984 0.020 2 786 427 77 LYS C C 176.379 0.600 1 787 427 77 LYS CA C 53.217 0.600 1 788 427 77 LYS CB C 36.530 0.600 1 789 427 77 LYS CG C 25.390 0.600 1 790 427 77 LYS CD C 28.717 0.600 1 791 427 77 LYS CE C 42.390 0.600 1 792 427 77 LYS N N 120.610 0.500 1 793 428 78 GLN H H 8.930 0.020 1 794 428 78 GLN HA H 4.440 0.020 1 795 428 78 GLN HB2 H 2.112 0.020 2 796 428 78 GLN HB3 H 2.112 0.020 2 797 428 78 GLN HG2 H 2.418 0.020 2 798 428 78 GLN HG3 H 2.418 0.020 2 799 428 78 GLN C C 176.342 0.600 1 800 428 78 GLN CA C 58.340 0.600 1 801 428 78 GLN CB C 28.100 0.600 1 802 428 78 GLN CG C 33.781 0.600 1 803 428 78 GLN N N 123.630 0.500 1 804 429 79 GLY H H 8.800 0.020 1 805 429 79 GLY HA2 H 3.767 0.020 2 806 429 79 GLY HA3 H 4.187 0.020 2 807 429 79 GLY C C 174.584 0.600 1 808 429 79 GLY CA C 46.296 0.600 1 809 429 79 GLY N N 111.180 0.500 1 810 430 80 ALA H H 7.820 0.020 1 811 430 80 ALA HA H 4.639 0.020 1 812 430 80 ALA HB H 1.445 0.020 1 813 430 80 ALA C C 174.108 0.600 1 814 430 80 ALA CA C 52.450 0.600 1 815 430 80 ALA CB C 23.710 0.600 1 816 430 80 ALA N N 117.850 0.500 1 817 431 81 ASP H H 8.620 0.020 1 818 431 81 ASP HA H 4.778 0.020 1 819 431 81 ASP HB2 H 2.861 0.020 2 820 431 81 ASP HB3 H 2.861 0.020 2 821 431 81 ASP C C 175.207 0.600 1 822 431 81 ASP CA C 54.170 0.600 1 823 431 81 ASP CB C 42.750 0.600 1 824 431 81 ASP N N 119.320 0.500 1 825 432 82 THR H H 8.570 0.020 1 826 432 82 THR HA H 5.277 0.020 1 827 432 82 THR HB H 4.476 0.020 1 828 432 82 THR HG2 H 0.995 0.020 1 829 432 82 THR C C 172.570 0.600 1 830 432 82 THR CA C 62.160 0.600 1 831 432 82 THR CB C 74.970 0.600 1 832 432 82 THR CG2 C 21.917 0.600 1 833 432 82 THR N N 121.000 0.500 1 834 433 83 TYR H H 8.410 0.020 1 835 433 83 TYR HA H 5.695 0.020 1 836 433 83 TYR HB2 H 3.494 0.020 2 837 433 83 TYR HB3 H 3.684 0.020 2 838 433 83 TYR HD1 H 6.912 0.020 3 839 433 83 TYR HD2 H 6.912 0.020 3 840 433 83 TYR C C 174.254 0.600 1 841 433 83 TYR CA C 56.480 0.600 1 842 433 83 TYR CB C 39.900 0.600 1 843 433 83 TYR CD1 C 131.339 0.600 3 844 433 83 TYR CD2 C 131.339 0.600 3 845 433 83 TYR N N 114.990 0.500 1 846 434 84 LEU H H 9.140 0.020 1 847 434 84 LEU HA H 4.870 0.020 1 848 434 84 LEU HB2 H 1.819 0.020 2 849 434 84 LEU HB3 H 1.819 0.020 2 850 434 84 LEU HG H 1.342 0.020 1 851 434 84 LEU HD1 H 0.855 0.020 2 852 434 84 LEU HD2 H 0.944 0.020 2 853 434 84 LEU C C 174.767 0.600 1 854 434 84 LEU CA C 53.404 0.600 1 855 434 84 LEU CB C 44.237 0.600 1 856 434 84 LEU CG C 25.896 0.600 1 857 434 84 LEU CD1 C 23.482 0.600 1 858 434 84 LEU CD2 C 23.482 0.600 1 859 434 84 LEU N N 122.470 0.500 1 860 435 85 GLU H H 9.420 0.020 1 861 435 85 GLU HA H 5.449 0.020 1 862 435 85 GLU HB2 H 1.815 0.020 2 863 435 85 GLU HB3 H 1.815 0.020 2 864 435 85 GLU HG2 H 2.389 0.020 2 865 435 85 GLU HG3 H 2.389 0.020 2 866 435 85 GLU C C 174.767 0.600 1 867 435 85 GLU CA C 53.310 0.600 1 868 435 85 GLU CB C 32.840 0.600 1 869 435 85 GLU CG C 33.211 0.600 1 870 435 85 GLU N N 128.790 0.500 1 871 436 86 LEU H H 9.490 0.020 1 872 436 86 LEU HA H 4.981 0.020 1 873 436 86 LEU HB2 H 1.360 0.020 2 874 436 86 LEU HB3 H 1.360 0.020 2 875 436 86 LEU HD1 H 0.656 0.020 2 876 436 86 LEU HD2 H 0.822 0.020 2 877 436 86 LEU C C 175.230 0.600 1 878 436 86 LEU CA C 52.830 0.600 1 879 436 86 LEU CB C 45.630 0.600 1 880 436 86 LEU CG C 25.735 0.600 1 881 436 86 LEU N N 130.830 0.500 1 882 437 87 GLY H H 7.680 0.020 1 883 437 87 GLY HA2 H 3.829 0.020 2 884 437 87 GLY HA3 H 4.531 0.020 2 885 437 87 GLY C C 171.654 0.600 1 886 437 87 GLY CA C 43.970 0.600 1 887 437 87 GLY N N 111.700 0.500 1 888 438 88 PHE H H 8.840 0.020 1 889 438 88 PHE HA H 5.582 0.020 1 890 438 88 PHE HB2 H 2.964 0.020 2 891 438 88 PHE HB3 H 2.599 0.020 2 892 438 88 PHE HD1 H 7.419 0.020 3 893 438 88 PHE HD2 H 7.419 0.020 3 894 438 88 PHE HE1 H 7.419 0.020 3 895 438 88 PHE HE2 H 7.419 0.020 3 896 438 88 PHE C C 176.891 0.600 1 897 438 88 PHE CA C 56.200 0.600 1 898 438 88 PHE CB C 42.770 0.600 1 899 438 88 PHE CD1 C 132.354 0.600 3 900 438 88 PHE CD2 C 132.354 0.600 3 901 438 88 PHE N N 114.350 0.500 1 902 439 89 LYS H H 8.920 0.020 1 903 439 89 LYS HA H 4.137 0.020 1 904 439 89 LYS HB2 H 1.930 0.020 2 905 439 89 LYS HB3 H 1.758 0.020 2 906 439 89 LYS HG2 H 1.305 0.020 2 907 439 89 LYS HG3 H 1.305 0.020 2 908 439 89 LYS HD2 H 1.725 0.020 2 909 439 89 LYS HD3 H 1.725 0.020 2 910 439 89 LYS HE2 H 2.997 0.020 2 911 439 89 LYS HE3 H 2.997 0.020 2 912 439 89 LYS C C 176.146 0.600 1 913 439 89 LYS CA C 57.940 0.600 1 914 439 89 LYS CB C 34.620 0.600 1 915 439 89 LYS CG C 26.548 0.600 1 916 439 89 LYS CD C 29.461 0.600 1 917 439 89 LYS CE C 42.650 0.600 1 918 439 89 LYS N N 119.480 0.500 1 919 440 90 ASN H H 7.740 0.020 1 920 440 90 ASN HA H 4.603 0.020 1 921 440 90 ASN HB2 H 2.888 0.020 2 922 440 90 ASN HB3 H 2.672 0.020 2 923 440 90 ASN C C 173.340 0.600 1 924 440 90 ASN CA C 52.100 0.600 1 925 440 90 ASN CB C 41.160 0.600 1 926 440 90 ASN N N 111.670 0.500 1 927 441 91 GLY H H 8.180 0.020 1 928 441 91 GLY HA2 H 4.524 0.020 2 929 441 91 GLY HA3 H 4.103 0.020 2 930 441 91 GLY C C 173.583 0.600 1 931 441 91 GLY CA C 44.437 0.600 1 932 441 91 GLY N N 104.820 0.500 1 933 442 92 THR H H 8.200 0.020 1 934 442 92 THR HA H 5.143 0.020 1 935 442 92 THR HB H 3.879 0.020 1 936 442 92 THR HG2 H 1.170 0.020 1 937 442 92 THR C C 173.436 0.600 1 938 442 92 THR CA C 59.620 0.600 1 939 442 92 THR CB C 72.750 0.600 1 940 442 92 THR CG2 C 21.218 0.600 1 941 442 92 THR N N 112.000 0.500 1 942 443 93 LEU H H 8.910 0.020 1 943 443 93 LEU HA H 4.893 0.020 1 944 443 93 LEU HB2 H 1.641 0.020 2 945 443 93 LEU HB3 H 1.641 0.020 2 946 443 93 LEU HG H 1.309 0.020 1 947 443 93 LEU HD1 H 0.468 0.020 2 948 443 93 LEU HD2 H 0.800 0.020 2 949 443 93 LEU C C 175.670 0.600 1 950 443 93 LEU CA C 52.520 0.600 1 951 443 93 LEU CB C 44.870 0.600 1 952 443 93 LEU CG C 26.155 0.600 1 953 443 93 LEU CD1 C 23.980 0.600 1 954 443 93 LEU N N 120.160 0.500 1 955 444 94 ALA H H 8.750 0.020 1 956 444 94 ALA HA H 4.470 0.020 1 957 444 94 ALA HB H 1.285 0.020 1 958 444 94 ALA CA C 51.390 0.600 1 959 444 94 ALA CB C 16.690 0.600 1 960 444 94 ALA N N 131.460 0.500 1 961 445 95 PRO HA H 4.440 0.020 1 962 445 95 PRO HB2 H 2.260 0.020 2 963 445 95 PRO HB3 H 2.209 0.020 2 964 445 95 PRO HG2 H 1.900 0.020 2 965 445 95 PRO HG3 H 1.900 0.020 2 966 445 95 PRO HD2 H 3.727 0.020 2 967 445 95 PRO HD3 H 3.727 0.020 2 968 445 95 PRO C C 177.721 0.600 1 969 445 95 PRO CA C 65.190 0.600 1 970 445 95 PRO CB C 31.797 0.600 1 971 445 95 PRO CG C 24.200 0.600 1 972 445 95 PRO CD C 49.361 0.600 1 973 446 96 GLY H H 7.930 0.020 1 974 446 96 GLY HA2 H 4.141 0.020 2 975 446 96 GLY HA3 H 3.751 0.020 2 976 446 96 GLY C C 173.656 0.600 1 977 446 96 GLY CA C 46.108 0.600 1 978 446 96 GLY N N 115.130 0.500 1 979 447 97 ALA H H 8.270 0.020 1 980 447 97 ALA HA H 4.447 0.020 1 981 447 97 ALA HB H 1.487 0.020 1 982 447 97 ALA C C 175.377 0.600 1 983 447 97 ALA CA C 51.533 0.600 1 984 447 97 ALA CB C 21.980 0.600 1 985 447 97 ALA N N 123.380 0.500 1 986 448 98 SER H H 8.330 0.020 1 987 448 98 SER HA H 5.612 0.020 1 988 448 98 SER HB2 H 3.682 0.020 2 989 448 98 SER HB3 H 3.485 0.020 2 990 448 98 SER C C 176.403 0.600 1 991 448 98 SER CA C 54.590 0.600 1 992 448 98 SER CB C 65.840 0.600 1 993 448 98 SER N N 111.340 0.500 1 994 449 99 THR H H 9.100 0.020 1 995 449 99 THR HA H 3.881 0.020 1 996 449 99 THR HB H 3.880 0.020 1 997 449 99 THR HG2 H 1.182 0.020 1 998 449 99 THR C C 177.978 0.600 1 999 449 99 THR CA C 64.800 0.600 1 1000 449 99 THR CB C 70.970 0.600 1 1001 449 99 THR CG2 C 22.168 0.600 1 1002 449 99 THR N N 114.640 0.500 1 1003 450 100 GLY H H 8.320 0.020 1 1004 450 100 GLY HA2 H 3.596 0.020 2 1005 450 100 GLY HA3 H 3.964 0.020 2 1006 450 100 GLY C C 173.876 0.600 1 1007 450 100 GLY CA C 44.832 0.600 1 1008 450 100 GLY N N 108.980 0.500 1 1009 451 101 ASN H H 8.970 0.020 1 1010 451 101 ASN HA H 4.441 0.020 1 1011 451 101 ASN HB2 H 2.812 0.020 2 1012 451 101 ASN HB3 H 3.124 0.020 2 1013 451 101 ASN C C 176.549 0.600 1 1014 451 101 ASN CA C 55.560 0.600 1 1015 451 101 ASN CB C 38.970 0.600 1 1016 451 101 ASN N N 118.480 0.500 1 1017 452 102 ILE H H 9.170 0.020 1 1018 452 102 ILE HA H 4.407 0.020 1 1019 452 102 ILE HB H 2.850 0.020 1 1020 452 102 ILE HG2 H 0.928 0.020 1 1021 452 102 ILE HD1 H 0.857 0.020 1 1022 452 102 ILE C C 174.938 0.600 1 1023 452 102 ILE CA C 62.851 0.600 1 1024 452 102 ILE CB C 39.841 0.600 1 1025 452 102 ILE CG1 C 27.484 0.600 1 1026 452 102 ILE CG2 C 16.667 0.600 1 1027 452 102 ILE CD1 C 13.427 0.600 1 1028 452 102 ILE N N 124.500 0.500 1 1029 453 103 GLN H H 9.590 0.020 1 1030 453 103 GLN HA H 4.951 0.020 1 1031 453 103 GLN HB2 H 1.933 0.020 2 1032 453 103 GLN HB3 H 1.933 0.020 2 1033 453 103 GLN HG2 H 2.281 0.020 2 1034 453 103 GLN HG3 H 2.379 0.020 2 1035 453 103 GLN C C 173.620 0.600 1 1036 453 103 GLN CA C 55.650 0.600 1 1037 453 103 GLN CB C 29.560 0.600 1 1038 453 103 GLN CG C 34.585 0.600 1 1039 453 103 GLN N N 124.980 0.500 1 1040 454 104 LEU H H 8.120 0.020 1 1041 454 104 LEU HA H 4.899 0.020 1 1042 454 104 LEU HB2 H 1.300 0.020 2 1043 454 104 LEU HB3 H 1.630 0.020 2 1044 454 104 LEU HG H 0.865 0.020 1 1045 454 104 LEU HD1 H 0.865 0.020 2 1046 454 104 LEU HD2 H 0.865 0.020 2 1047 454 104 LEU C C 175.304 0.600 1 1048 454 104 LEU CA C 52.630 0.600 1 1049 454 104 LEU CB C 44.530 0.600 1 1050 454 104 LEU CG C 26.980 0.600 1 1051 454 104 LEU CD1 C 24.200 0.600 1 1052 454 104 LEU CD2 C 24.200 0.600 1 1053 454 104 LEU N N 123.980 0.500 1 1054 455 105 ARG H H 8.240 0.020 1 1055 455 105 ARG HA H 5.343 0.020 1 1056 455 105 ARG HB2 H 1.604 0.020 2 1057 455 105 ARG HB3 H 1.604 0.020 2 1058 455 105 ARG HG2 H 1.316 0.020 2 1059 455 105 ARG HG3 H 1.316 0.020 2 1060 455 105 ARG HD2 H 2.943 0.020 2 1061 455 105 ARG HD3 H 2.943 0.020 2 1062 455 105 ARG C C 174.572 0.600 1 1063 455 105 ARG CA C 55.370 0.600 1 1064 455 105 ARG CB C 34.450 0.600 1 1065 455 105 ARG CG C 28.390 0.600 1 1066 455 105 ARG CD C 42.516 0.600 1 1067 455 105 ARG N N 118.120 0.500 1 1068 456 106 LEU H H 9.400 0.020 1 1069 456 106 LEU HA H 5.786 0.020 1 1070 456 106 LEU HB2 H 1.574 0.020 2 1071 456 106 LEU HB3 H 1.571 0.020 2 1072 456 106 LEU HG H 1.341 0.020 1 1073 456 106 LEU HD1 H 0.590 0.020 2 1074 456 106 LEU HD2 H 0.868 0.020 2 1075 456 106 LEU C C 176.806 0.600 1 1076 456 106 LEU CA C 52.330 0.600 1 1077 456 106 LEU CB C 43.450 0.600 1 1078 456 106 LEU CG C 27.920 0.600 1 1079 456 106 LEU CD1 C 24.504 0.600 1 1080 456 106 LEU N N 125.290 0.500 1 1081 457 107 HIS H H 8.100 0.020 1 1082 457 107 HIS HA H 5.445 0.020 1 1083 457 107 HIS HB2 H 2.600 0.020 2 1084 457 107 HIS HB3 H 2.600 0.020 2 1085 457 107 HIS HD2 H 7.550 0.020 1 1086 457 107 HIS HE1 H 7.422 0.020 1 1087 457 107 HIS C C 174.205 0.600 1 1088 457 107 HIS CA C 55.310 0.600 1 1089 457 107 HIS CB C 31.790 0.600 1 1090 457 107 HIS CD2 C 127.255 0.600 1 1091 457 107 HIS CE1 C 132.661 0.600 1 1092 457 107 HIS N N 113.000 0.500 1 1093 458 108 ASN H H 9.590 0.020 1 1094 458 108 ASN HA H 5.290 0.020 1 1095 458 108 ASN HB2 H 3.700 0.020 2 1096 458 108 ASN HB3 H 2.787 0.020 2 1097 458 108 ASN C C 179.490 0.600 1 1098 458 108 ASN CA C 52.656 0.600 1 1099 458 108 ASN CB C 41.290 0.600 1 1100 458 108 ASN N N 120.170 0.500 1 1101 459 109 ASP H H 8.522 0.020 1 1102 459 109 ASP HA H 4.429 0.020 1 1103 459 109 ASP HB2 H 2.700 0.020 2 1104 459 109 ASP HB3 H 2.550 0.020 2 1105 459 109 ASP C C 175.890 0.600 1 1106 459 109 ASP CA C 57.145 0.600 1 1107 459 109 ASP CB C 40.960 0.600 1 1108 459 109 ASP N N 122.233 0.500 1 1109 460 110 ASP H H 7.550 0.020 1 1110 460 110 ASP HA H 4.616 0.020 1 1111 460 110 ASP HB2 H 2.666 0.020 2 1112 460 110 ASP HB3 H 2.469 0.020 2 1113 460 110 ASP C C 176.623 0.600 1 1114 460 110 ASP CA C 52.610 0.600 1 1115 460 110 ASP CB C 39.980 0.600 1 1116 460 110 ASP N N 113.330 0.500 1 1117 461 111 TRP H H 8.280 0.020 1 1118 461 111 TRP HA H 4.721 0.020 1 1119 461 111 TRP HB2 H 3.562 0.020 2 1120 461 111 TRP HB3 H 3.174 0.020 2 1121 461 111 TRP HD1 H 6.905 0.020 1 1122 461 111 TRP HE1 H 10.820 0.020 1 1123 461 111 TRP HE3 H 7.429 0.020 1 1124 461 111 TRP C C 174.975 0.600 1 1125 461 111 TRP CA C 59.754 0.600 1 1126 461 111 TRP CB C 25.468 0.600 1 1127 461 111 TRP CD1 C 131.471 0.600 1 1128 461 111 TRP CE3 C 118.429 0.600 1 1129 461 111 TRP N N 114.970 0.500 1 1130 461 111 TRP NE1 N 130.865 0.500 1 1131 462 112 SER H H 7.680 0.020 1 1132 462 112 SER HA H 4.840 0.020 1 1133 462 112 SER HB2 H 3.701 0.020 2 1134 462 112 SER HB3 H 3.701 0.020 2 1135 462 112 SER C C 176.586 0.600 1 1136 462 112 SER CA C 57.987 0.600 1 1137 462 112 SER CB C 64.350 0.600 1 1138 462 112 SER N N 111.150 0.500 1 1139 463 113 ASN H H 8.822 0.020 1 1140 463 113 ASN HA H 4.404 0.020 1 1141 463 113 ASN HB2 H 2.897 0.020 2 1142 463 113 ASN HB3 H 2.897 0.020 2 1143 463 113 ASN C C 176.659 0.600 1 1144 463 113 ASN CA C 54.976 0.600 1 1145 463 113 ASN CB C 38.629 0.600 1 1146 463 113 ASN N N 119.380 0.500 1 1147 464 114 TYR H H 8.620 0.020 1 1148 464 114 TYR HA H 4.563 0.020 1 1149 464 114 TYR HB2 H 3.486 0.020 2 1150 464 114 TYR HB3 H 2.620 0.020 2 1151 464 114 TYR HD1 H 7.350 0.020 3 1152 464 114 TYR HD2 H 7.350 0.020 3 1153 464 114 TYR C C 174.828 0.600 1 1154 464 114 TYR CA C 58.270 0.600 1 1155 464 114 TYR CB C 39.370 0.600 1 1156 464 114 TYR CD1 C 129.841 0.600 3 1157 464 114 TYR CD2 C 129.841 0.600 3 1158 464 114 TYR N N 121.420 0.500 1 1159 465 115 ALA H H 9.130 0.020 1 1160 465 115 ALA HA H 5.500 0.020 1 1161 465 115 ALA HB H 1.301 0.020 1 1162 465 115 ALA C C 177.978 0.600 1 1163 465 115 ALA CA C 51.670 0.600 1 1164 465 115 ALA CB C 18.530 0.600 1 1165 465 115 ALA N N 126.180 0.500 1 1166 466 116 GLN H H 7.690 0.020 1 1167 466 116 GLN HA H 4.135 0.020 1 1168 466 116 GLN HB2 H 1.820 0.020 2 1169 466 116 GLN HB3 H 1.820 0.020 2 1170 466 116 GLN HG2 H 2.230 0.020 2 1171 466 116 GLN HG3 H 2.230 0.020 2 1172 466 116 GLN C C 176.403 0.600 1 1173 466 116 GLN CA C 58.665 0.600 1 1174 466 116 GLN CB C 29.492 0.600 1 1175 466 116 GLN CG C 36.310 0.600 1 1176 466 116 GLN N N 118.200 0.500 1 1177 467 117 SER H H 8.220 0.020 1 1178 467 117 SER HA H 4.158 0.020 1 1179 467 117 SER HB2 H 3.986 0.020 2 1180 467 117 SER HB3 H 3.986 0.020 2 1181 467 117 SER C C 176.330 0.600 1 1182 467 117 SER CA C 61.190 0.600 1 1183 467 117 SER CB C 62.740 0.600 1 1184 467 117 SER N N 111.490 0.500 1 1185 468 118 GLY H H 7.940 0.020 1 1186 468 118 GLY HA2 H 3.994 0.020 2 1187 468 118 GLY HA3 H 3.994 0.020 2 1188 468 118 GLY C C 174.791 0.600 1 1189 468 118 GLY CA C 45.240 0.600 1 1190 468 118 GLY N N 108.830 0.500 1 1191 469 119 ASP H H 8.130 0.020 1 1192 469 119 ASP HA H 5.264 0.020 1 1193 469 119 ASP HB2 H 3.367 0.020 2 1194 469 119 ASP HB3 H 2.752 0.020 2 1195 469 119 ASP C C 178.820 0.600 1 1196 469 119 ASP CA C 55.550 0.600 1 1197 469 119 ASP CB C 41.792 0.600 1 1198 469 119 ASP N N 123.140 0.500 1 1199 470 120 TYR H H 10.800 0.020 1 1200 470 120 TYR HA H 4.236 0.020 1 1201 470 120 TYR HB2 H 2.970 0.020 2 1202 470 120 TYR HB3 H 3.315 0.020 2 1203 470 120 TYR HD1 H 6.937 0.020 3 1204 470 120 TYR HD2 H 6.937 0.020 3 1205 470 120 TYR C C 178.161 0.600 1 1206 470 120 TYR CA C 62.800 0.600 1 1207 470 120 TYR CB C 38.350 0.600 1 1208 470 120 TYR CD1 C 131.109 0.600 3 1209 470 120 TYR CD2 C 131.109 0.600 3 1210 470 120 TYR N N 126.980 0.500 1 1211 471 121 SER H H 8.270 0.020 1 1212 471 121 SER HA H 4.690 0.020 1 1213 471 121 SER HB2 H 3.553 0.020 2 1214 471 121 SER HB3 H 3.553 0.020 2 1215 471 121 SER C C 171.495 0.600 1 1216 471 121 SER CA C 60.762 0.600 1 1217 471 121 SER CB C 64.600 0.600 1 1218 471 121 SER N N 109.310 0.500 1 1219 472 122 PHE H H 7.120 0.020 1 1220 472 122 PHE HA H 4.896 0.020 1 1221 472 122 PHE HB2 H 3.740 0.020 2 1222 472 122 PHE HB3 H 3.150 0.020 2 1223 472 122 PHE HD1 H 7.230 0.020 3 1224 472 122 PHE HD2 H 7.230 0.020 3 1225 472 122 PHE C C 177.795 0.600 1 1226 472 122 PHE CA C 58.873 0.600 1 1227 472 122 PHE CB C 41.579 0.600 1 1228 472 122 PHE CD1 C 131.109 0.600 3 1229 472 122 PHE CD2 C 131.109 0.600 3 1230 472 122 PHE N N 118.190 0.500 1 1231 473 123 PHE H H 7.250 0.020 1 1232 473 123 PHE HA H 3.994 0.020 1 1233 473 123 PHE HB2 H 3.220 0.020 2 1234 473 123 PHE HB3 H 3.106 0.020 2 1235 473 123 PHE HD1 H 6.717 0.020 3 1236 473 123 PHE HD2 H 6.717 0.020 3 1237 473 123 PHE HE1 H 6.717 0.020 3 1238 473 123 PHE HE2 H 6.717 0.020 3 1239 473 123 PHE C C 172.301 0.600 1 1240 473 123 PHE CA C 58.800 0.600 1 1241 473 123 PHE CB C 41.930 0.600 1 1242 473 123 PHE N N 125.860 0.500 1 1243 474 124 LYS H H 8.800 0.020 1 1244 474 124 LYS HA H 4.141 0.020 1 1245 474 124 LYS HB2 H 1.715 0.020 2 1246 474 124 LYS HB3 H 1.715 0.020 2 1247 474 124 LYS HG2 H 1.394 0.020 2 1248 474 124 LYS HG3 H 1.394 0.020 2 1249 474 124 LYS HD2 H 1.716 0.020 2 1250 474 124 LYS HD3 H 1.716 0.020 2 1251 474 124 LYS HE2 H 3.109 0.020 2 1252 474 124 LYS HE3 H 3.109 0.020 2 1253 474 124 LYS C C 175.341 0.600 1 1254 474 124 LYS CA C 56.120 0.600 1 1255 474 124 LYS CB C 31.848 0.600 1 1256 474 124 LYS CG C 24.841 0.600 1 1257 474 124 LYS CD C 29.556 0.600 1 1258 474 124 LYS CE C 41.837 0.600 1 1259 474 124 LYS N N 123.490 0.500 1 1260 475 125 SER H H 8.130 0.020 1 1261 475 125 SER HA H 4.553 0.020 1 1262 475 125 SER HB2 H 4.640 0.020 2 1263 475 125 SER HB3 H 3.875 0.020 2 1264 475 125 SER CA C 58.131 0.600 1 1265 475 125 SER CB C 64.750 0.600 1 1266 475 125 SER N N 119.840 0.500 1 1267 476 126 ASN H H 8.650 0.020 1 1268 476 126 ASN HA H 4.723 0.020 1 1269 476 126 ASN HB2 H 2.896 0.020 2 1270 476 126 ASN HB3 H 2.896 0.020 2 1271 476 126 ASN C C 175.100 0.600 1 1272 476 126 ASN CA C 54.246 0.600 1 1273 476 126 ASN CB C 38.719 0.600 1 1274 476 126 ASN N N 117.160 0.500 1 1275 477 127 THR H H 7.742 0.020 1 1276 477 127 THR HA H 4.558 0.020 1 1277 477 127 THR HB H 4.219 0.020 1 1278 477 127 THR HG2 H 1.246 0.020 1 1279 477 127 THR C C 176.917 0.600 1 1280 477 127 THR CA C 59.297 0.600 1 1281 477 127 THR CB C 71.363 0.600 1 1282 477 127 THR CG2 C 20.710 0.600 1 1283 477 127 THR N N 110.544 0.500 1 1284 478 128 PHE H H 8.846 0.020 1 1285 478 128 PHE HA H 4.720 0.020 1 1286 478 128 PHE HB2 H 2.802 0.020 2 1287 478 128 PHE HB3 H 2.737 0.020 2 1288 478 128 PHE C C 176.110 0.600 1 1289 478 128 PHE CA C 54.526 0.600 1 1290 478 128 PHE CB C 38.345 0.600 1 1291 478 128 PHE N N 119.800 0.500 1 1292 479 129 LYS H H 8.980 0.020 1 1293 479 129 LYS HA H 4.610 0.020 1 1294 479 129 LYS HB2 H 1.910 0.020 2 1295 479 129 LYS HB3 H 1.568 0.020 2 1296 479 129 LYS C C 173.774 0.600 1 1297 479 129 LYS CA C 55.181 0.600 1 1298 479 129 LYS CB C 32.639 0.600 1 1299 479 129 LYS N N 121.735 0.500 1 1300 480 130 THR H H 8.470 0.020 1 1301 480 130 THR HA H 4.200 0.020 1 1302 480 130 THR HB H 3.903 0.020 1 1303 480 130 THR HG2 H 1.970 0.020 1 1304 480 130 THR C C 174.352 0.600 1 1305 480 130 THR CA C 64.998 0.600 1 1306 480 130 THR CB C 68.931 0.600 1 1307 480 130 THR CG2 C 23.531 0.600 1 1308 480 130 THR N N 120.296 0.500 1 1309 481 131 THR H H 8.470 0.020 1 1310 481 131 THR HA H 5.250 0.020 1 1311 481 131 THR HB H 4.445 0.020 1 1312 481 131 THR HG2 H 0.980 0.020 1 1313 481 131 THR C C 172.667 0.600 1 1314 481 131 THR CA C 57.530 0.600 1 1315 481 131 THR CB C 70.340 0.600 1 1316 481 131 THR CG2 C 21.415 0.600 1 1317 481 131 THR N N 120.300 0.500 1 1318 482 132 LYS H H 9.230 0.020 1 1319 482 132 LYS HA H 4.308 0.020 1 1320 482 132 LYS HB2 H 1.818 0.020 2 1321 482 132 LYS HB3 H 1.818 0.020 2 1322 482 132 LYS HG2 H 1.330 0.020 2 1323 482 132 LYS HG3 H 1.330 0.020 2 1324 482 132 LYS HD2 H 1.739 0.020 2 1325 482 132 LYS HD3 H 1.739 0.020 2 1326 482 132 LYS HE2 H 3.800 0.020 2 1327 482 132 LYS HE3 H 3.800 0.020 2 1328 482 132 LYS C C 174.901 0.600 1 1329 482 132 LYS CA C 56.390 0.600 1 1330 482 132 LYS CB C 32.920 0.600 1 1331 482 132 LYS CG C 24.832 0.600 1 1332 482 132 LYS CD C 29.234 0.600 1 1333 482 132 LYS CE C 41.932 0.600 1 1334 482 132 LYS N N 126.460 0.500 1 1335 483 133 LYS H H 8.550 0.020 1 1336 483 133 LYS HA H 4.312 0.020 1 1337 483 133 LYS HB2 H 1.819 0.020 2 1338 483 133 LYS HB3 H 1.819 0.020 2 1339 483 133 LYS HG2 H 1.552 0.020 2 1340 483 133 LYS HG3 H 1.552 0.020 2 1341 483 133 LYS HD2 H 1.644 0.020 2 1342 483 133 LYS HD3 H 1.644 0.020 2 1343 483 133 LYS HE2 H 3.210 0.020 2 1344 483 133 LYS HE3 H 3.210 0.020 2 1345 483 133 LYS C C 175.780 0.600 1 1346 483 133 LYS CA C 56.238 0.600 1 1347 483 133 LYS CB C 32.844 0.600 1 1348 483 133 LYS CG C 26.995 0.600 1 1349 483 133 LYS CD C 30.953 0.600 1 1350 483 133 LYS CE C 43.241 0.600 1 1351 483 133 LYS N N 116.000 0.500 1 1352 484 134 ILE H H 7.200 0.020 1 1353 484 134 ILE HA H 4.846 0.020 1 1354 484 134 ILE HB H 1.506 0.020 1 1355 484 134 ILE HG12 H 1.341 0.020 1 1356 484 134 ILE HG13 H 1.341 0.020 1 1357 484 134 ILE HG2 H 0.800 0.020 1 1358 484 134 ILE HD1 H 0.617 0.020 1 1359 484 134 ILE C C 175.303 0.600 1 1360 484 134 ILE CA C 62.261 0.600 1 1361 484 134 ILE CB C 40.140 0.600 1 1362 484 134 ILE CG1 C 28.935 0.600 1 1363 484 134 ILE CG2 C 16.560 0.600 1 1364 484 134 ILE CD1 C 14.958 0.600 1 1365 484 134 ILE N N 121.650 0.500 1 1366 485 135 THR H H 8.900 0.020 1 1367 485 135 THR HA H 5.820 0.020 1 1368 485 135 THR HB H 4.160 0.020 1 1369 485 135 THR HG2 H 1.900 0.020 1 1370 485 135 THR C C 174.791 0.600 1 1371 485 135 THR CA C 58.530 0.600 1 1372 485 135 THR CB C 70.120 0.600 1 1373 485 135 THR N N 111.310 0.500 1 1374 486 136 LEU H H 8.420 0.020 1 1375 486 136 LEU HA H 5.967 0.020 1 1376 486 136 LEU HB2 H 1.838 0.020 2 1377 486 136 LEU HB3 H 1.838 0.020 2 1378 486 136 LEU HG H 1.425 0.020 1 1379 486 136 LEU HD1 H 0.856 0.020 2 1380 486 136 LEU HD2 H 0.488 0.020 2 1381 486 136 LEU C C 175.817 0.600 1 1382 486 136 LEU CA C 52.700 0.600 1 1383 486 136 LEU CB C 46.450 0.600 1 1384 486 136 LEU CG C 25.125 0.600 1 1385 486 136 LEU CD1 C 24.460 0.600 1 1386 486 136 LEU CD2 C 24.460 0.600 1 1387 486 136 LEU N N 116.300 0.500 1 1388 487 137 TYR H H 9.700 0.020 1 1389 487 137 TYR HA H 5.107 0.020 1 1390 487 137 TYR HB2 H 3.140 0.020 2 1391 487 137 TYR HB3 H 2.726 0.020 2 1392 487 137 TYR HD1 H 6.765 0.020 3 1393 487 137 TYR HD2 H 6.765 0.020 3 1394 487 137 TYR HE1 H 6.765 0.020 3 1395 487 137 TYR HE2 H 6.765 0.020 3 1396 487 137 TYR C C 174.220 0.600 1 1397 487 137 TYR CA C 56.330 0.600 1 1398 487 137 TYR CB C 40.700 0.600 1 1399 487 137 TYR N N 120.170 0.500 1 1400 488 138 ASP H H 8.760 0.020 1 1401 488 138 ASP HA H 5.143 0.020 1 1402 488 138 ASP HB2 H 2.806 0.020 2 1403 488 138 ASP HB3 H 2.463 0.020 2 1404 488 138 ASP C C 177.502 0.600 1 1405 488 138 ASP CA C 52.400 0.600 1 1406 488 138 ASP CB C 43.280 0.600 1 1407 488 138 ASP N N 119.810 0.500 1 1408 489 139 GLN H H 9.730 0.020 1 1409 489 139 GLN HA H 4.141 0.020 1 1410 489 139 GLN HB2 H 1.643 0.020 2 1411 489 139 GLN HB3 H 1.643 0.020 2 1412 489 139 GLN HG2 H 2.151 0.020 2 1413 489 139 GLN HG3 H 2.151 0.020 2 1414 489 139 GLN C C 176.769 0.600 1 1415 489 139 GLN CA C 57.602 0.600 1 1416 489 139 GLN CB C 26.951 0.600 1 1417 489 139 GLN CG C 34.396 0.600 1 1418 489 139 GLN N N 124.140 0.500 1 1419 490 140 GLY H H 8.490 0.020 1 1420 490 140 GLY HA2 H 4.185 0.020 2 1421 490 140 GLY HA3 H 3.431 0.020 2 1422 490 140 GLY C C 173.473 0.600 1 1423 490 140 GLY CA C 45.240 0.600 1 1424 490 140 GLY N N 102.380 0.500 1 1425 491 141 LYS H H 7.930 0.020 1 1426 491 141 LYS HA H 4.574 0.020 1 1427 491 141 LYS HB2 H 1.930 0.020 2 1428 491 141 LYS HB3 H 1.930 0.020 2 1429 491 141 LYS HG2 H 1.379 0.020 2 1430 491 141 LYS HG3 H 1.379 0.020 2 1431 491 141 LYS HD2 H 1.499 0.020 2 1432 491 141 LYS HD3 H 1.499 0.020 2 1433 491 141 LYS HE2 H 2.701 0.020 2 1434 491 141 LYS HE3 H 3.100 0.020 2 1435 491 141 LYS C C 176.000 0.600 1 1436 491 141 LYS CA C 55.279 0.600 1 1437 491 141 LYS CB C 33.800 0.600 1 1438 491 141 LYS CG C 24.809 0.600 1 1439 491 141 LYS CD C 28.883 0.600 1 1440 491 141 LYS CE C 42.390 0.600 1 1441 491 141 LYS N N 122.800 0.500 1 1442 492 142 LEU H H 8.810 0.020 1 1443 492 142 LEU HA H 3.789 0.020 1 1444 492 142 LEU HB2 H 1.750 0.020 2 1445 492 142 LEU HB3 H 1.750 0.020 2 1446 492 142 LEU HG H 1.317 0.020 1 1447 492 142 LEU HD1 H 0.577 0.020 2 1448 492 142 LEU C C 177.477 0.600 1 1449 492 142 LEU CA C 57.145 0.600 1 1450 492 142 LEU CB C 41.870 0.600 1 1451 492 142 LEU CG C 26.661 0.600 1 1452 492 142 LEU CD1 C 23.462 0.600 1 1453 492 142 LEU N N 128.170 0.500 1 1454 493 143 ILE H H 8.960 0.020 1 1455 493 143 ILE HA H 4.768 0.020 1 1456 493 143 ILE HB H 2.220 0.020 1 1457 493 143 ILE HG12 H 1.980 0.020 1 1458 493 143 ILE HG13 H 1.980 0.020 1 1459 493 143 ILE HG2 H 0.825 0.020 1 1460 493 143 ILE HD1 H 0.840 0.020 1 1461 493 143 ILE C C 175.536 0.600 1 1462 493 143 ILE CA C 60.720 0.600 1 1463 493 143 ILE CB C 41.360 0.600 1 1464 493 143 ILE CG1 C 28.960 0.600 1 1465 493 143 ILE CG2 C 13.225 0.600 1 1466 493 143 ILE CD1 C 18.853 0.600 1 1467 493 143 ILE N N 121.660 0.500 1 1468 494 144 TRP H H 7.550 0.020 1 1469 494 144 TRP HA H 4.835 0.020 1 1470 494 144 TRP HB2 H 2.774 0.020 2 1471 494 144 TRP HB3 H 3.732 0.020 2 1472 494 144 TRP HD1 H 7.230 0.020 1 1473 494 144 TRP HE1 H 11.147 0.020 1 1474 494 144 TRP C C 174.401 0.600 1 1475 494 144 TRP CA C 57.894 0.600 1 1476 494 144 TRP CB C 33.700 0.600 1 1477 494 144 TRP CD1 C 131.109 0.600 1 1478 494 144 TRP N N 123.380 0.500 1 1479 494 144 TRP NE1 N 129.679 0.500 1 1480 495 145 GLY H H 7.570 0.020 1 1481 495 145 GLY HA2 H 3.276 0.020 2 1482 495 145 GLY HA3 H 4.409 0.020 2 1483 495 145 GLY CA C 43.570 0.600 1 1484 495 145 GLY N N 112.290 0.500 1 1485 496 146 THR H H 8.350 0.020 1 1486 496 146 THR HA H 4.294 0.020 1 1487 496 146 THR HB H 3.479 0.020 1 1488 496 146 THR HG2 H 1.830 0.020 1 1489 496 146 THR C C 171.764 0.600 1 1490 496 146 THR CA C 60.610 0.600 1 1491 496 146 THR CB C 71.360 0.600 1 1492 496 146 THR CG2 C 22.410 0.600 1 1493 496 146 THR N N 113.990 0.500 1 1494 497 147 GLU H H 8.900 0.020 1 1495 497 147 GLU HA H 4.193 0.020 1 1496 497 147 GLU HB2 H 1.580 0.020 2 1497 497 147 GLU HB3 H 1.580 0.020 2 1498 497 147 GLU HG2 H 2.000 0.020 2 1499 497 147 GLU HG3 H 2.000 0.020 2 1500 497 147 GLU CA C 54.900 0.600 1 1501 497 147 GLU CB C 27.590 0.600 1 1502 497 147 GLU CG C 38.390 0.600 1 1503 497 147 GLU N N 128.590 0.500 1 1504 498 148 PRO HA H 4.357 0.020 1 1505 498 148 PRO HB2 H 1.602 0.020 2 1506 498 148 PRO HB3 H 1.602 0.020 2 1507 498 148 PRO HG2 H 1.403 0.020 2 1508 498 148 PRO HG3 H 1.403 0.020 2 1509 498 148 PRO C C 176.142 0.600 1 1510 498 148 PRO CA C 62.758 0.600 1 1511 498 148 PRO CB C 30.300 0.600 1 1512 498 148 PRO CG C 24.814 0.600 1 1513 499 149 ASN H H 7.815 0.020 1 1514 499 149 ASN HA H 4.266 0.020 1 1515 499 149 ASN HB2 H 2.400 0.020 2 1516 499 149 ASN HB3 H 2.400 0.020 2 1517 499 149 ASN CA C 54.339 0.600 1 1518 499 149 ASN CB C 41.151 0.600 1 1519 499 149 ASN N N 119.250 0.500 1 stop_ save_