data_6932 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of phosphoryl carrier domain of pyruvate phosphate dikinase ; _BMRB_accession_number 6932 _BMRB_flat_file_name bmr6932.str _Entry_type original _Submission_date 2006-01-06 _Accession_date 2006-01-06 _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 Ames James B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 574 "13C chemical shifts" 491 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-05-02 original author . stop_ _Original_release_date 2006-05-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Examination of the structure, stability, and catalytic potential in the engineered phosphoryl carrier domain of pyruvate phosphate dikinase. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16460017 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Ying . . 2 Lusin Jacqueline D. . 3 Ye Dongmei . . 4 Dunaway-Mariano Debra . . 5 Ames James B. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 45 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1702 _Page_last 1711 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name cent-I _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cent-I $cent-I stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'cent-I is the phosphoryl carrier domain of pyruvate phosphate dikinase (residues 384-511)' save_ ######################## # Monomeric polymers # ######################## save_cent-I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cent-I _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; AALKAGEVIGSALPASPGAA AGKVYFTADEAKAAHEKGER VILVRLETSPEDIEGMHAAE GILTVRGGMTSHAAVVARGM GTCCVSGCGEIKINEEAKTF ELGGHTFAEGDYISLDGSTG KIYKGDIE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 384 ALA 2 385 ALA 3 386 LEU 4 387 LYS 5 388 ALA 6 389 GLY 7 390 GLU 8 391 VAL 9 392 ILE 10 393 GLY 11 394 SER 12 395 ALA 13 396 LEU 14 397 PRO 15 398 ALA 16 399 SER 17 400 PRO 18 401 GLY 19 402 ALA 20 403 ALA 21 404 ALA 22 405 GLY 23 406 LYS 24 407 VAL 25 408 TYR 26 409 PHE 27 410 THR 28 411 ALA 29 412 ASP 30 413 GLU 31 414 ALA 32 415 LYS 33 416 ALA 34 417 ALA 35 418 HIS 36 419 GLU 37 420 LYS 38 421 GLY 39 422 GLU 40 423 ARG 41 424 VAL 42 425 ILE 43 426 LEU 44 427 VAL 45 428 ARG 46 429 LEU 47 430 GLU 48 431 THR 49 432 SER 50 433 PRO 51 434 GLU 52 435 ASP 53 436 ILE 54 437 GLU 55 438 GLY 56 439 MET 57 440 HIS 58 441 ALA 59 442 ALA 60 443 GLU 61 444 GLY 62 445 ILE 63 446 LEU 64 447 THR 65 448 VAL 66 449 ARG 67 450 GLY 68 451 GLY 69 452 MET 70 453 THR 71 454 SER 72 455 HIS 73 456 ALA 74 457 ALA 75 458 VAL 76 459 VAL 77 460 ALA 78 461 ARG 79 462 GLY 80 463 MET 81 464 GLY 82 465 THR 83 466 CYS 84 467 CYS 85 468 VAL 86 469 SER 87 470 GLY 88 471 CYS 89 472 GLY 90 473 GLU 91 474 ILE 92 475 LYS 93 476 ILE 94 477 ASN 95 478 GLU 96 479 GLU 97 480 ALA 98 481 LYS 99 482 THR 100 483 PHE 101 484 GLU 102 485 LEU 103 486 GLY 104 487 GLY 105 488 HIS 106 489 THR 107 490 PHE 108 491 ALA 109 492 GLU 110 493 GLY 111 494 ASP 112 495 TYR 113 496 ILE 114 497 SER 115 498 LEU 116 499 ASP 117 500 GLY 118 501 SER 119 502 THR 120 503 GLY 121 504 LYS 122 505 ILE 123 506 TYR 124 507 LYS 125 508 GLY 126 509 ASP 127 510 ILE 128 511 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1DIK "Pyruvate Phosphate Dikinase" 100.00 874 100.00 100.00 6.68e-78 PDB 1GGO "T453a Mutant Of Pyruvate, Phosphate Dikinase" 100.00 873 99.22 99.22 5.09e-77 PDB 1JDE "K22a Mutant Of Pyruvate, Phosphate Dikinase" 100.00 873 100.00 100.00 8.02e-78 PDB 1KBL "Pyruvate Phosphate Dikinase" 100.00 873 100.00 100.00 6.60e-78 PDB 1KC7 "Pyruvate Phosphate Dikinase With Bound Mg-Phosphonopyruvate" 100.00 873 100.00 100.00 6.60e-78 PDB 2DIK "R337a Mutant Of Pyruvate Phosphate Dikinase" 100.00 873 100.00 100.00 7.78e-78 PDB 2FM4 "Nmr Structure Of The Phosphoryl Carrier Domain Of Pyruvate Phosphate Dikinase" 100.00 128 100.00 100.00 8.48e-84 PDB 2R82 "Pyruvate Phosphate Dikinase (Ppdk) Triple Mutant R219eE271RS262D Adapts A Second Conformational State" 100.00 874 100.00 100.00 7.24e-78 GB AAA22917 "pyruvate phosphate dikinase [ [[Clostridium] symbiosum]" 100.00 840 100.00 100.00 4.87e-78 GB EGA95273 "pyruvate [ [[Clostridium] symbiosum WAL-14163]" 100.00 874 100.00 100.00 6.74e-78 GB EGB19009 "pyruvate, phosphate dikinase [ [[Clostridium] symbiosum WAL-14673]" 100.00 874 100.00 100.00 6.74e-78 GB EHF07270 "pyruvate, phosphate dikinase [Clostridium sp. 7_3_54FAA]" 100.00 874 100.00 100.00 6.74e-78 GB ERI77319 "pyruvate, phosphate dikinase [ [[Clostridium] symbiosum ATCC 14940]" 100.00 874 100.00 100.00 6.74e-78 REF WP_003498777 "MULTISPECIES: pyruvate phosphate dikinase [Clostridiales]" 100.00 874 100.00 100.00 6.74e-78 SP P22983 "RecName: Full=Pyruvate, phosphate dikinase; AltName: Full=Pyruvate, orthophosphate dikinase [[Clostridium] symbiosum]" 100.00 874 100.00 100.00 6.68e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cent-I 'C. symbiosum' 1512 Bacteria . Clostridium symbiosum 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 $cent-I 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cent-I 1.0 mM '[U-13C; U-15N]' KCL 50 mM . 'potassium phosphate' 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance DRX' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCOCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HBHACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample_1 save_ save_HCC-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _Sample_label $sample_1 save_ save_CCONH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH-TOCSY _Sample_label $sample_1 save_ save_HCCONH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH-TOCSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '1.0 mM cent-I, 50 mM KCl and 20 mM potassium phosphate' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.07 0.001 M pH 7.0 0.1 pH temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name cent-I _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 1 384 1 ALA H H 8.13 0.02 1 2 384 1 ALA HA H 4.16 0.02 1 3 384 1 ALA HB H 1.36 0.02 1 4 384 1 ALA C C 178.38 0.1 1 5 384 1 ALA CA C 53.38 0.1 1 6 384 1 ALA CB C 18.65 0.1 1 7 384 1 ALA N N 121.88 0.1 1 8 385 2 ALA H H 7.86 0.02 1 9 385 2 ALA HA H 4.19 0.02 1 10 385 2 ALA HB H 1.36 0.02 1 11 385 2 ALA C C 178.33 0.1 1 12 385 2 ALA CA C 52.89 0.1 1 13 385 2 ALA CB C 19.14 0.1 1 14 385 2 ALA N N 122.16 0.1 1 15 386 3 LEU H H 7.69 0.02 1 16 386 3 LEU HA H 4.01 0.02 1 17 386 3 LEU HB2 H 1.38 0.02 2 18 386 3 LEU HB3 H 1.55 0.02 2 19 386 3 LEU HG H 1.45 0.02 1 20 386 3 LEU HD1 H 0.75 0.02 2 21 386 3 LEU HD2 H 0.64 0.02 2 22 386 3 LEU C C 177.80 0.1 1 23 386 3 LEU CA C 55.90 0.1 1 24 386 3 LEU CB C 42.04 0.1 1 25 386 3 LEU CG C 27.31 0.1 1 26 386 3 LEU CD1 C 24.89 0.1 1 27 386 3 LEU CD2 C 23.83 0.1 1 28 386 3 LEU N N 119.88 0.1 1 29 387 4 LYS H H 8.00 0.02 1 30 387 4 LYS HA H 4.19 0.02 1 31 387 4 LYS HB2 H 1.71 0.02 2 32 387 4 LYS HB3 H 1.78 0.02 2 33 387 4 LYS HG2 H 1.39 0.02 2 34 387 4 LYS HE2 H 2.92 0.02 2 35 387 4 LYS C C 176.41 0.1 1 36 387 4 LYS CA C 56.83 0.1 1 37 387 4 LYS CB C 32.76 0.1 1 38 387 4 LYS CG C 24.89 0.1 1 39 387 4 LYS CD C 28.90 0.1 1 40 387 4 LYS CE C 42.11 0.1 1 41 387 4 LYS N N 120.85 0.1 1 42 388 5 ALA H H 7.86 0.02 1 43 388 5 ALA HA H 4.35 0.02 1 44 388 5 ALA HB H 1.31 0.02 1 45 388 5 ALA C C 177.83 0.1 1 46 388 5 ALA CA C 52.37 0.1 1 47 388 5 ALA CB C 19.26 0.1 1 48 388 5 ALA N N 123.14 0.1 1 49 389 6 GLY H H 7.99 0.02 1 50 389 6 GLY HA2 H 3.74 0.02 2 51 389 6 GLY HA3 H 4.09 0.02 2 52 389 6 GLY C C 172.98 0.1 1 53 389 6 GLY CA C 45.21 0.1 1 54 389 6 GLY N N 107.48 0.1 1 55 390 7 GLU H H 8.77 0.02 1 56 390 7 GLU HA H 4.46 0.02 1 57 390 7 GLU HB2 H 2.03 0.02 2 58 390 7 GLU HB3 H 2.11 0.02 2 59 390 7 GLU HG2 H 2.30 0.02 2 60 390 7 GLU C C 175.12 0.1 1 61 390 7 GLU CA C 55.70 0.1 1 62 390 7 GLU CB C 30.61 0.1 1 63 390 7 GLU CG C 30.73 0.1 1 64 390 7 GLU N N 122.34 0.1 1 65 391 8 VAL H H 8.39 0.02 1 66 391 8 VAL HA H 3.78 0.02 1 67 391 8 VAL HB H 1.93 0.02 1 68 391 8 VAL HG1 H 0.77 0.02 2 69 391 8 VAL HG2 H 0.79 0.02 2 70 391 8 VAL C C 177.42 0.1 1 71 391 8 VAL CA C 63.10 0.1 1 72 391 8 VAL CB C 32.11 0.1 1 73 391 8 VAL CG1 C 23.10 0.1 1 74 391 8 VAL CG2 C 21.48 0.1 1 75 391 8 VAL N N 127.19 0.1 1 76 392 9 ILE H H 9.02 0.02 1 77 392 9 ILE HA H 4.77 0.02 1 78 392 9 ILE HB H 2.07 0.02 1 79 392 9 ILE HG12 H 0.99 0.02 2 80 392 9 ILE HG2 H 0.91 0.02 1 81 392 9 ILE HD1 H 0.79 0.02 1 82 392 9 ILE C C 174.80 0.1 1 83 392 9 ILE CA C 60.83 0.1 1 84 392 9 ILE CB C 39.88 0.1 1 85 392 9 ILE CG1 C 26.42 0.1 1 86 392 9 ILE CG2 C 19.04 0.1 1 87 392 9 ILE CD1 C 15.64 0.1 1 88 392 9 ILE N N 121.94 0.1 1 89 393 10 GLY H H 7.53 0.02 1 90 393 10 GLY HA2 H 4.09 0.02 2 91 393 10 GLY HA3 H 3.71 0.02 2 92 393 10 GLY C C 169.91 0.1 1 93 393 10 GLY CA C 45.34 0.1 1 94 393 10 GLY N N 107.85 0.1 1 95 394 11 SER H H 8.46 0.02 1 96 394 11 SER HA H 5.15 0.02 1 97 394 11 SER HB2 H 3.68 0.02 2 98 394 11 SER HB3 H 3.77 0.02 2 99 394 11 SER C C 172.97 0.1 1 100 394 11 SER CA C 57.44 0.1 1 101 394 11 SER CB C 65.49 0.1 1 102 394 11 SER N N 112.42 0.1 1 103 395 12 ALA H H 9.19 0.02 1 104 395 12 ALA HA H 4.54 0.02 1 105 395 12 ALA HB H 1.24 0.02 1 106 395 12 ALA C C 175.35 0.1 1 107 395 12 ALA CA C 51.76 0.1 1 108 395 12 ALA CB C 18.70 0.1 1 109 395 12 ALA N N 128.22 0.1 1 110 396 13 LEU H H 8.52 0.02 1 111 396 13 LEU HA H 4.68 0.02 1 112 396 13 LEU HB2 H 1.33 0.02 2 113 396 13 LEU HB3 H 1.94 0.02 2 114 396 13 LEU HG H 1.72 0.2 1 115 396 13 LEU HD1 H 0.92 0.02 2 116 396 13 LEU HD2 H 0.92 0.02 2 117 396 13 LEU CA C 53.87 0.1 1 118 396 13 LEU CB C 41.81 0.1 1 119 396 13 LEU CD1 C 26.20 0.1 1 120 396 13 LEU N N 122.38 0.1 1 121 397 14 PRO HA H 4.57 0.02 1 122 397 14 PRO HB2 H 1.23 0.02 2 123 397 14 PRO HB3 H 2.26 0.02 2 124 397 14 PRO HG2 H 1.89 0.02 2 125 397 14 PRO HD2 H 3.61 0.02 2 126 397 14 PRO HD3 H 3.89 0.02 2 127 397 14 PRO C C 174.28 0.1 1 128 397 14 PRO CA C 61.40 0.1 1 129 397 14 PRO CB C 29.56 0.1 1 130 397 14 PRO CG C 26.94 0.1 1 131 397 14 PRO CD C 50.54 0.1 1 132 398 15 ALA H H 7.94 0.02 1 133 398 15 ALA HA H 4.14 0.02 1 134 398 15 ALA HB H 1.18 0.02 1 135 398 15 ALA C C 177.77 0.1 1 136 398 15 ALA CA C 54.62 0.1 1 137 398 15 ALA CB C 20.31 0.1 1 138 398 15 ALA N N 128.69 0.1 1 139 399 16 SER H H 7.92 0.02 1 140 399 16 SER HA H 4.86 0.02 1 141 399 16 SER HB2 H 3.45 0.02 2 142 399 16 SER HB3 H 4.01 0.02 2 143 399 16 SER CA C 54.60 0.1 1 144 399 16 SER CB C 65.08 0.1 1 145 399 16 SER N N 111.59 0.1 1 146 400 17 PRO HA H 3.86 0.02 1 147 400 17 PRO HB2 H 1.91 0.02 2 148 400 17 PRO HB3 H 2.25 0.02 2 149 400 17 PRO HG2 H 1.91 0.02 2 150 400 17 PRO HD2 H 3.65 0.02 2 151 400 17 PRO HD3 H 3.76 0.02 2 152 400 17 PRO C C 175.51 0.1 1 153 400 17 PRO CA C 63.21 0.1 1 154 400 17 PRO CB C 33.54 0.1 1 155 400 17 PRO CG C 26.93 0.1 1 156 400 17 PRO CD C 51.77 0.1 1 157 401 18 GLY H H 7.09 0.02 1 158 401 18 GLY HA2 H 3.65 0.02 2 159 401 18 GLY HA3 H 4.47 0.02 2 160 401 18 GLY C C 171.82 0.1 1 161 401 18 GLY CA C 43.79 0.1 1 162 401 18 GLY N N 106.38 0.1 1 163 402 19 ALA H H 8.41 0.02 1 164 402 19 ALA HA H 5.38 0.02 1 165 402 19 ALA HB H 1.38 0.02 1 166 402 19 ALA C C 176.43 0.1 1 167 402 19 ALA CA C 51.21 0.1 1 168 402 19 ALA CB C 21.11 0.1 1 169 402 19 ALA N N 123.64 0.1 1 170 403 20 ALA H H 8.70 0.02 1 171 403 20 ALA HA H 4.82 0.02 1 172 403 20 ALA HB H 1.21 0.02 1 173 403 20 ALA C C 174.48 0.1 1 174 403 20 ALA CA C 51.26 0.1 1 175 403 20 ALA CB C 24.65 0.1 1 176 403 20 ALA N N 123.50 0.1 1 177 404 21 ALA H H 8.42 0.02 1 178 404 21 ALA HA H 5.32 0.02 1 179 404 21 ALA HB H 1.48 0.02 1 180 404 21 ALA C C 176.33 0.1 1 181 404 21 ALA CA C 51.39 0.1 1 182 404 21 ALA CB C 23.75 0.1 1 183 404 21 ALA N N 123.51 0.1 1 184 405 22 GLY H H 8.36 0.02 1 185 405 22 GLY HA2 H 3.87 0.02 2 186 405 22 GLY HA3 H 3.51 0.02 2 187 405 22 GLY C C 169.26 0.1 1 188 405 22 GLY CA C 46.13 0.1 1 189 405 22 GLY N N 104.29 0.1 1 190 406 23 LYS H H 8.75 0.02 1 191 406 23 LYS HA H 3.80 0.02 1 192 406 23 LYS HB2 H 1.16 0.02 2 193 406 23 LYS HB3 H 1.77 0.02 2 194 406 23 LYS HG2 H 0.45 0.02 2 195 406 23 LYS HD2 H 1.62 0.02 2 196 406 23 LYS HE2 H 3.04 0.02 2 197 406 23 LYS C C 177.75 0.1 1 198 406 23 LYS CA C 55.62 0.1 1 199 406 23 LYS CB C 35.37 0.1 1 200 406 23 LYS CG C 25.05 0.1 1 201 406 23 LYS CD C 29.93 0.1 1 202 406 23 LYS CE C 41.80 0.1 1 203 406 23 LYS N N 119.81 0.1 1 204 407 24 VAL H H 8.59 0.02 1 205 407 24 VAL HA H 4.15 0.02 1 206 407 24 VAL HB H 1.76 0.02 1 207 407 24 VAL HG1 H 0.38 0.02 2 208 407 24 VAL HG2 H 0.92 0.02 2 209 407 24 VAL C C 174.95 0.1 1 210 407 24 VAL CA C 63.17 0.1 1 211 407 24 VAL CB C 32.78 0.1 1 212 407 24 VAL CG1 C 22.61 0.1 1 213 407 24 VAL N N 120.87 0.1 1 214 408 25 TYR H H 8.35 0.02 1 215 408 25 TYR HA H 4.41 0.02 1 216 408 25 TYR HB2 H 3.02 0.02 2 217 408 25 TYR HB3 H 2.28 0.02 2 218 408 25 TYR HD1 H 7.20 0.02 3 219 408 25 TYR HE1 H 6.61 0.02 3 220 408 25 TYR C C 175.10 0.1 1 221 408 25 TYR CA C 58.85 0.1 1 222 408 25 TYR CB C 43.49 0.1 1 223 408 25 TYR CD1 C 133.35 0.1 3 224 408 25 TYR CE1 C 118.56 0.1 3 225 408 25 TYR N N 121.72 0.1 1 226 409 26 PHE H H 9.75 0.02 1 227 409 26 PHE HA H 5.17 0.02 1 228 409 26 PHE HB2 H 2.92 0.02 2 229 409 26 PHE HB3 H 3.59 0.02 2 230 409 26 PHE HD1 H 7.40 0.02 3 231 409 26 PHE HE1 H 7.01 0.02 3 232 409 26 PHE HZ H 6.90 0.02 1 233 409 26 PHE C C 176.56 0.1 1 234 409 26 PHE CA C 59.24 0.1 1 235 409 26 PHE CB C 41.47 0.1 1 236 409 26 PHE CD1 C 131.30 0.1 3 237 409 26 PHE CE1 C 130.68 0.1 3 238 409 26 PHE N N 116.07 0.1 1 239 410 27 THR H H 7.33 0.02 1 240 410 27 THR HA H 4.84 0.02 1 241 410 27 THR HB H 4.56 0.02 1 242 410 27 THR HG2 H 1.34 0.02 1 243 410 27 THR C C 174.18 0.1 1 244 410 27 THR CA C 58.97 0.1 1 245 410 27 THR CB C 72.90 0.1 1 246 410 27 THR CG2 C 21.95 0.1 1 247 410 27 THR N N 104.54 0.1 1 248 411 28 ALA H H 10.23 0.02 1 249 411 28 ALA HA H 3.86 0.02 1 250 411 28 ALA HB H 1.69 0.02 1 251 411 28 ALA C C 179.05 0.1 1 252 411 28 ALA CA C 55.64 0.1 1 253 411 28 ALA CB C 19.24 0.1 1 254 411 28 ALA N N 127.51 0.1 1 255 412 29 ASP H H 9.12 0.02 1 256 412 29 ASP HA H 4.34 0.02 1 257 412 29 ASP HB2 H 2.62 0.02 2 258 412 29 ASP C C 179.74 0.1 1 259 412 29 ASP CA C 57.66 0.1 1 260 412 29 ASP CB C 40.24 0.1 1 261 412 29 ASP N N 116.97 0.1 1 262 413 30 GLU H H 7.56 0.02 1 263 413 30 GLU HA H 4.01 0.02 1 264 413 30 GLU HB2 H 2.25 0.02 2 265 413 30 GLU HG2 H 2.35 0.02 2 266 413 30 GLU C C 178.67 0.1 1 267 413 30 GLU CA C 58.88 0.1 1 268 413 30 GLU CB C 30.01 0.1 1 269 413 30 GLU CG C 38.42 0.1 1 270 413 30 GLU N N 118.93 0.1 1 271 414 31 ALA H H 8.27 0.02 1 272 414 31 ALA HA H 3.57 0.02 1 273 414 31 ALA HB H 1.37 0.02 1 274 414 31 ALA C C 178.36 0.1 1 275 414 31 ALA CA C 54.91 0.1 1 276 414 31 ALA CB C 18.66 0.1 1 277 414 31 ALA N N 122.98 0.1 1 278 415 32 LYS H H 8.28 0.02 1 279 415 32 LYS HA H 3.73 0.02 1 280 415 32 LYS HB2 H 1.63 0.02 2 281 415 32 LYS HB3 H 1.93 0.02 2 282 415 32 LYS HG2 H 1.35 0.02 2 283 415 32 LYS HD2 H 1.58 0.02 2 284 415 32 LYS HE2 H 2.98 0.02 2 285 415 32 LYS C C 177.94 0.1 1 286 415 32 LYS CA C 59.88 0.1 1 287 415 32 LYS CB C 32.83 0.1 1 288 415 32 LYS CG C 24.84 0.1 1 289 415 32 LYS CD C 30.28 0.1 1 290 415 32 LYS CE C 42.01 0.1 1 291 415 32 LYS N N 117.58 0.1 1 292 416 33 ALA H H 7.67 0.02 1 293 416 33 ALA HA H 4.06 0.02 1 294 416 33 ALA HB H 1.38 0.02 1 295 416 33 ALA C C 180.30 0.1 1 296 416 33 ALA CA C 54.90 0.1 1 297 416 33 ALA CB C 18.11 0.1 1 298 416 33 ALA N N 120.68 0.1 1 299 417 34 ALA H H 7.65 0.02 1 300 417 34 ALA HA H 3.84 0.02 1 301 417 34 ALA HB H 0.81 0.02 1 302 417 34 ALA C C 180.23 0.1 1 303 417 34 ALA CA C 54.97 0.1 1 304 417 34 ALA CB C 18.12 0.1 1 305 417 34 ALA N N 121.09 0.1 1 306 418 35 HIS H H 8.25 0.02 1 307 418 35 HIS HA H 5.03 0.02 1 308 418 35 HIS HB2 H 3.44 0.02 2 309 418 35 HIS HB3 H 3.18 0.02 2 310 418 35 HIS HD1 H 7.49 0.02 1 311 418 35 HIS C C 179.85 0.1 1 312 418 35 HIS CA C 58.37 0.1 1 313 418 35 HIS CB C 28.98 0.1 1 314 418 35 HIS N N 118.81 0.1 1 315 419 36 GLU H H 8.40 0.02 1 316 419 36 GLU HA H 3.93 0.02 1 317 419 36 GLU HB2 H 2.12 0.02 2 318 419 36 GLU HG2 H 2.35 0.02 2 319 419 36 GLU C C 177.90 0.1 1 320 419 36 GLU CA C 58.90 0.1 1 321 419 36 GLU CB C 29.01 0.1 1 322 419 36 GLU CG C 37.11 0.1 1 323 419 36 GLU N N 121.32 0.1 1 324 420 37 LYS H H 7.27 0.02 1 325 420 37 LYS HA H 4.35 0.02 1 326 420 37 LYS HB2 H 1.98 0.02 2 327 420 37 LYS HB3 H 2.04 0.02 2 328 420 37 LYS HG2 H 1.55 0.02 2 329 420 37 LYS HD2 H 1.64 0.02 2 330 420 37 LYS HE2 H 2.92 0.02 2 331 420 37 LYS C C 176.60 0.1 1 332 420 37 LYS CA C 56.62 0.1 1 333 420 37 LYS CB C 32.46 0.1 1 334 420 37 LYS CG C 25.22 0.1 1 335 420 37 LYS CD C 29.51 0.1 1 336 420 37 LYS CE C 42.21 0.1 1 337 420 37 LYS N N 117.36 0.1 1 338 421 38 GLY H H 7.83 0.02 1 339 421 38 GLY HA2 H 3.61 0.02 2 340 421 38 GLY HA3 H 4.34 0.02 2 341 421 38 GLY C C 174.82 0.1 1 342 421 38 GLY CA C 44.87 0.1 1 343 421 38 GLY N N 107.18 0.1 1 344 422 39 GLU H H 7.64 0.02 1 345 422 39 GLU HA H 4.47 0.02 1 346 422 39 GLU HB2 H 1.97 0.02 2 347 422 39 GLU HG2 H 2.17 0.02 2 348 422 39 GLU C C 179.5 0.1 1 349 422 39 GLU CA C 56.12 0.1 1 350 422 39 GLU CB C 29.62 0.1 1 351 422 39 GLU CG C 35.75 0.1 1 352 422 39 GLU N N 119.45 0.1 1 353 423 40 ARG H H 8.52 0.02 1 354 423 40 ARG HA H 4.70 0.02 1 355 423 40 ARG HB2 H 1.99 0.02 2 356 423 40 ARG HB3 H 2.26 0.02 2 357 423 40 ARG HG2 H 1.80 0.02 2 358 423 40 ARG HD2 H 3.41 0.02 2 359 423 40 ARG C C 177.07 0.1 1 360 423 40 ARG CA C 56.18 0.1 1 361 423 40 ARG CB C 32.15 0.1 1 362 423 40 ARG CG C 28.62 0.1 1 363 423 40 ARG CD C 43.85 0.1 1 364 423 40 ARG N N 122.98 0.1 1 365 424 41 VAL H H 9.32 0.02 1 366 424 41 VAL HA H 5.26 0.02 1 367 424 41 VAL HB H 2.13 0.02 1 368 424 41 VAL HG1 H 0.96 0.02 2 369 424 41 VAL HG2 H 0.98 0.02 2 370 424 41 VAL C C 174.79 0.1 1 371 424 41 VAL CA C 60.84 0.1 1 372 424 41 VAL CB C 36.54 0.1 1 373 424 41 VAL CG1 C 20.83 0.1 1 374 424 41 VAL CG2 C 22.15 0.1 1 375 424 41 VAL N N 121.30 0.1 1 376 425 42 ILE H H 8.86 0.02 1 377 425 42 ILE HA H 4.58 0.02 1 378 425 42 ILE HB H 1.44 0.02 1 379 425 42 ILE HG12 H 1.17 0.02 2 380 425 42 ILE HG2 H 0.38 0.02 1 381 425 42 ILE HD1 H 0.38 0.02 1 382 425 42 ILE C C 174.19 0.1 1 383 425 42 ILE CA C 57.38 0.1 1 384 425 42 ILE CB C 38.18 0.1 1 385 425 42 ILE CG1 C 26.49 0.1 1 386 425 42 ILE CG2 C 16.46 0.1 1 387 425 42 ILE CD1 C 9.69 0.1 1 388 425 42 ILE N N 126.9 0.1 1 389 426 43 LEU H H 7.61 0.02 1 390 426 43 LEU HA H 4.57 0.02 1 391 426 43 LEU HB2 H 0.76 0.02 2 392 426 43 LEU HB3 H 1.66 0.02 2 393 426 43 LEU HG H 1.17 0.02 1 394 426 43 LEU HD1 H 0.47 0.02 2 395 426 43 LEU HD2 H 0.56 0.02 2 396 426 43 LEU C C 173.42 0.1 1 397 426 43 LEU CA C 53.34 0.1 1 398 426 43 LEU CB C 44.27 0.1 1 399 426 43 LEU CG C 26.47 0.1 1 400 426 43 LEU CD1 C 22.25 0.1 1 401 426 43 LEU CD2 C 26.30 0.1 1 402 426 43 LEU N N 127.80 0.1 1 403 427 44 VAL H H 8.22 0.02 1 404 427 44 VAL HA H 5.05 0.02 1 405 427 44 VAL HB H 1.38 0.02 1 406 427 44 VAL HG1 H 0.49 0.02 2 407 427 44 VAL HG2 H 0.05 0.2 2 408 427 44 VAL C C 175.17 0.1 1 409 427 44 VAL CA C 60.63 0.1 1 410 427 44 VAL CB C 32.24 0.1 1 411 427 44 VAL CG1 C 21.72 0.1 1 412 427 44 VAL CG2 C 18.70 0.1 1 413 427 44 VAL N N 128.49 0.1 1 414 428 45 ARG H H 7.97 0.02 1 415 428 45 ARG HA H 4.70 0.02 1 416 428 45 ARG HB2 H 1.02 0.02 2 417 428 45 ARG HB3 H 1.95 0.02 2 418 428 45 ARG HG2 H 1.56 0.02 2 419 428 45 ARG HD2 H 2.93 0.02 2 420 428 45 ARG HD3 H 3.42 0.02 2 421 428 45 ARG C C 175.43 0.1 1 422 428 45 ARG CA C 52.37 0.1 1 423 428 45 ARG CB C 36.03 0.1 1 424 428 45 ARG CG C 26.86 0.1 1 425 428 45 ARG CD C 42.70 0.1 1 426 428 45 ARG N N 120.89 0.1 1 427 429 46 LEU H H 9.30 0.02 1 428 429 46 LEU HA H 3.88 0.02 1 429 429 46 LEU HB2 H 1.59 0.02 2 430 429 46 LEU HB3 H 1.85 0.02 2 431 429 46 LEU HG H 1.70 0.02 1 432 429 46 LEU HD1 H 0.93 0.02 2 433 429 46 LEU HD2 H 0.96 0.02 2 434 429 46 LEU C C 176.08 0.1 1 435 429 46 LEU CA C 59.39 0.1 1 436 429 46 LEU CB C 42.81 0.1 1 437 429 46 LEU CG C 27.07 0.1 1 438 429 46 LEU CD1 C 24.50 0.1 1 439 429 46 LEU CD2 C 24.73 0.1 1 440 429 46 LEU N N 122.88 0.1 1 441 430 47 GLU H H 7.25 0.02 1 442 430 47 GLU HA H 4.38 0.02 1 443 430 47 GLU HB2 H 2.15 0.02 2 444 430 47 GLU HB3 H 2.48 0.02 2 445 430 47 GLU C C 175.21 0.1 1 446 430 47 GLU CA C 55.38 0.1 1 447 430 47 GLU CB C 32.33 0.1 1 448 430 47 GLU CG C 35.69 0.1 1 449 430 47 GLU N N 108.50 0.1 1 450 431 48 THR H H 8.93 0.02 1 451 431 48 THR HA H 4.93 0.02 1 452 431 48 THR HB H 4.71 0.02 1 453 431 48 THR HG2 H 0.87 0.02 1 454 431 48 THR C C 173.24 0.1 1 455 431 48 THR CA C 61.40 0.1 1 456 431 48 THR CB C 70.33 0.1 1 457 431 48 THR CG2 C 21.50 0.1 1 458 431 48 THR N N 113.00 0.1 1 459 432 49 SER H H 8.64 0.02 1 460 432 49 SER HA H 3.98 0.02 1 461 432 49 SER HB2 H 3.64 0.02 2 462 432 49 SER CA C 55.67 0.1 1 463 432 49 SER CB C 65.06 0.1 1 464 432 49 SER N N 116.58 0.1 1 465 433 50 PRO HA H 4.19 0.02 1 466 433 50 PRO HB2 H 1.86 0.02 2 467 433 50 PRO HB3 H 2.50 0.02 2 468 433 50 PRO HG2 H 2.17 0.02 2 469 433 50 PRO HD2 H 3.29 0.02 2 470 433 50 PRO HD3 H 3.64 0.02 2 471 433 50 PRO C C 178.05 0.1 1 472 433 50 PRO CA C 66.00 0.1 1 473 433 50 PRO CB C 31.80 0.1 1 474 433 50 PRO CG C 27.95 0.1 1 475 433 50 PRO CD C 50.73 0.1 1 476 434 51 GLU H H 8.30 0.02 1 477 434 51 GLU HA H 4.15 0.02 1 478 434 51 GLU HB2 H 1.86 0.02 2 479 434 51 GLU HB3 H 2.09 0.02 2 480 434 51 GLU HG2 H 2.33 0.02 2 481 434 51 GLU C C 177.77 0.1 1 482 434 51 GLU CA C 58.80 0.1 1 483 434 51 GLU CB C 29.01 0.1 1 484 434 51 GLU CG C 37.14 0.1 1 485 434 51 GLU N N 115.94 0.1 1 486 435 52 ASP H H 8.46 0.02 1 487 435 52 ASP HA H 4.68 0.02 1 488 435 52 ASP HB2 H 2.71 0.02 2 489 435 52 ASP HB3 H 3.11 0.02 2 490 435 52 ASP C C 178.25 0.1 1 491 435 52 ASP CA C 55.06 0.1 1 492 435 52 ASP CB C 42.15 0.1 1 493 435 52 ASP N N 118.22 0.1 1 494 436 53 ILE H H 7.31 0.02 1 495 436 53 ILE HA H 3.95 0.02 1 496 436 53 ILE HB H 2.07 0.02 1 497 436 53 ILE HG12 H 1.47 0.02 2 498 436 53 ILE HG2 H 0.99 0.02 1 499 436 53 ILE HD1 H 0.97 0.02 1 500 436 53 ILE C C 176.35 0.1 1 501 436 53 ILE CA C 64.28 0.1 1 502 436 53 ILE CB C 38.58 0.1 1 503 436 53 ILE CG1 C 28.93 0.1 1 504 436 53 ILE CG2 C 18.43 0.1 1 505 436 53 ILE CD1 C 14.08 0.1 1 506 436 53 ILE N N 120.42 0.1 1 507 437 54 GLU H H 8.74 0.02 1 508 437 54 GLU HA H 4.20 0.02 1 509 437 54 GLU HB2 H 2.01 0.02 2 510 437 54 GLU HG2 H 2.20 0.02 2 511 437 54 GLU C C 180.77 0.1 1 512 437 54 GLU CA C 60.05 0.1 1 513 437 54 GLU CB C 29.00 0.1 1 514 437 54 GLU CG C 37.10 0.1 1 515 437 54 GLU N N 120.99 0.1 1 516 438 55 GLY H H 7.96 0.02 1 517 438 55 GLY HA2 H 3.65 0.02 2 518 438 55 GLY HA3 H 3.86 0.02 2 519 438 55 GLY C C 174.44 0.1 1 520 438 55 GLY CA C 47.41 0.1 1 521 438 55 GLY N N 107.07 0.1 1 522 439 56 MET H H 8.08 0.02 1 523 439 56 MET HA H 3.61 0.02 1 524 439 56 MET HB2 H 2.01 0.02 2 525 439 56 MET HB3 H 2.05 0.02 2 526 439 56 MET HG2 H 2.63 0.02 2 527 439 56 MET HE H 1.62 0.02 1 528 439 56 MET C C 177.8 0.1 1 529 439 56 MET CA C 59.45 0.1 1 530 439 56 MET CB C 33.38 0.1 1 531 439 56 MET CG C 32.71 0.1 1 532 439 56 MET N N 119.53 0.1 1 533 440 57 HIS H H 8.09 0.02 1 534 440 57 HIS HA H 4.30 0.02 1 535 440 57 HIS HB2 H 3.15 0.02 2 536 440 57 HIS HD1 H 7.09 0.02 1 537 440 57 HIS C C 175.36 0.1 1 538 440 57 HIS CA C 58.62 0.1 1 539 440 57 HIS CB C 30.02 0.1 1 540 440 57 HIS N N 116.27 0.1 1 541 441 58 ALA H H 6.94 0.02 1 542 441 58 ALA HA H 3.70 0.02 1 543 441 58 ALA HB H 1.29 0.02 1 544 441 58 ALA C C 175.74 0.1 1 545 441 58 ALA CA C 52.26 0.1 1 546 441 58 ALA CB C 19.30 0.1 1 547 441 58 ALA N N 118.77 0.1 1 548 442 59 ALA H H 6.82 0.02 1 549 442 59 ALA HA H 4.11 0.02 1 550 442 59 ALA HB H 1.31 0.02 1 551 442 59 ALA C C 176.60 0.1 1 552 442 59 ALA CA C 51.94 0.1 1 553 442 59 ALA CB C 19.79 0.1 1 554 442 59 ALA N N 119.01 0.1 1 555 443 60 GLU H H 9.47 0.02 1 556 443 60 GLU HA H 4.21 0.02 1 557 443 60 GLU HB2 H 1.95 0.02 2 558 443 60 GLU HB3 H 2.13 0.02 2 559 443 60 GLU HG2 H 2.63 0.02 2 560 443 60 GLU C C 176.0 0.1 1 561 443 60 GLU CA C 57.25 0.1 1 562 443 60 GLU CB C 30.69 0.1 1 563 443 60 GLU CG C 37.12 0.1 1 564 443 60 GLU N N 121.44 0.1 1 565 444 61 GLY H H 7.16 0.02 1 566 444 61 GLY HA2 H 3.06 0.02 2 567 444 61 GLY HA3 H 4.70 0.02 2 568 444 61 GLY C C 169.89 0.1 1 569 444 61 GLY CA C 44.50 0.1 1 570 444 61 GLY N N 126.15 0.1 1 571 445 62 ILE H H 7.68 0.02 1 572 445 62 ILE HA H 4.69 0.02 1 573 445 62 ILE HB H 1.53 0.02 1 574 445 62 ILE HG12 H 1.38 0.02 2 575 445 62 ILE HG2 H 0.70 0.02 1 576 445 62 ILE HD1 H 0.74 0.02 1 577 445 62 ILE C C 171.54 0.1 1 578 445 62 ILE CA C 59.85 0.1 1 579 445 62 ILE CB C 41.58 0.1 1 580 445 62 ILE CG1 C 28.39 0.1 1 581 445 62 ILE CG2 C 18.66 0.1 1 582 445 62 ILE CD1 C 14.60 0.1 1 583 445 62 ILE N N 121.10 0.1 1 584 446 63 LEU H H 8.74 0.02 1 585 446 63 LEU HA H 5.54 0.02 1 586 446 63 LEU HB2 H 0.97 0.02 2 587 446 63 LEU HB3 H 1.54 0.02 2 588 446 63 LEU HG H 0.95 0.02 1 589 446 63 LEU HD1 H 0.70 0.02 2 590 446 63 LEU HD2 H 0.36 0.02 2 591 446 63 LEU C C 174.24 0.1 1 592 446 63 LEU CA C 52.64 0.1 1 593 446 63 LEU CB C 45.82 0.1 1 594 446 63 LEU CG C 27.13 0.1 1 595 446 63 LEU CD1 C 22.96 0.1 1 596 446 63 LEU CD2 C 25.42 0.1 1 597 446 63 LEU N N 130.91 0.1 1 598 447 64 THR H H 8.10 0.02 1 599 447 64 THR HA H 6.10 0.02 1 600 447 64 THR HB H 4.50 0.02 1 601 447 64 THR HG2 H 0.90 0.02 1 602 447 64 THR C C 174.45 0.1 1 603 447 64 THR CA C 57.06 0.1 1 604 447 64 THR CB C 71.88 0.1 1 605 447 64 THR CG2 C 22.61 0.1 1 606 447 64 THR N N 112.01 0.1 1 607 448 65 VAL H H 7.46 0.02 1 608 448 65 VAL HA H 3.89 0.02 1 609 448 65 VAL HB H 2.23 0.02 1 610 448 65 VAL HG1 H 0.87 0.02 2 611 448 65 VAL HG2 H 1.14 0.02 2 612 448 65 VAL C C 175.70 0.1 1 613 448 65 VAL CA C 62.76 0.1 1 614 448 65 VAL CB C 33.87 0.1 1 615 448 65 VAL CG1 C 22.09 0.1 1 616 448 65 VAL CG2 C 20.98 0.1 1 617 448 65 VAL N N 120.08 0.1 1 618 449 66 ARG H H 8.61 0.02 1 619 449 66 ARG HA H 4.62 0.02 1 620 449 66 ARG HB2 H 1.79 0.02 2 621 449 66 ARG HG2 H 1.60 0.02 2 622 449 66 ARG HD2 H 3.17 0.02 2 623 449 66 ARG C C 175.88 0.1 1 624 449 66 ARG CA C 54.45 0.1 1 625 449 66 ARG CB C 33.91 0.1 1 626 449 66 ARG CG C 27.36 0.1 1 627 449 66 ARG CD C 43.95 0.1 1 628 449 66 ARG N N 117.01 0.1 1 629 450 67 GLY H H 8.65 0.02 1 630 450 67 GLY HA2 H 4.35 0.02 2 631 450 67 GLY HA3 H 3.73 0.02 2 632 450 67 GLY C C 173.90 0.1 1 633 450 67 GLY CA C 44.65 0.1 1 634 450 67 GLY N N 111.16 0.1 1 635 451 68 GLY H H 8.27 0.02 1 636 451 68 GLY HA2 H 3.70 0.02 2 637 451 68 GLY HA3 H 4.41 0.02 2 638 451 68 GLY CA C 44.34 0.1 1 639 451 68 GLY N N 109.66 0.1 1 640 453 70 THR HA H 4.38 0.02 1 641 453 70 THR HB H 4.57 0.02 1 642 453 70 THR HG2 H 1.09 0.02 1 643 453 70 THR C C 173.96 0.1 1 644 453 70 THR CA C 60.44 0.1 1 645 453 70 THR CB C 68.10 0.1 1 646 453 70 THR CG2 C 21.63 0.1 1 647 454 71 SER H H 7.48 0.02 1 648 454 71 SER HA H 4.35 0.02 1 649 454 71 SER HB2 H 4.10 0.02 2 650 454 71 SER C C 172.44 0.1 1 651 454 71 SER CA C 58.31 0.1 1 652 454 71 SER CB C 65.13 0.1 1 653 454 71 SER N N 118.13 0.1 1 654 455 72 HIS H H 8.63 0.02 1 655 455 72 HIS HA H 3.88 0.02 1 656 455 72 HIS HB2 H 2.98 0.02 2 657 455 72 HIS HB3 H 3.11 0.02 2 658 455 72 HIS HD1 H 7.00 0.02 1 659 455 72 HIS C C 176.40 0.1 1 660 455 72 HIS CA C 62.63 0.1 1 661 455 72 HIS CB C 30.99 0.1 1 662 455 72 HIS N N 122.31 0.1 1 663 456 73 ALA H H 8.55 0.02 1 664 456 73 ALA HA H 3.53 0.02 1 665 456 73 ALA HB H 1.28 0.02 1 666 456 73 ALA C C 178.37 0.1 1 667 456 73 ALA CA C 55.97 0.1 1 668 456 73 ALA CB C 19.91 0.1 1 669 456 73 ALA N N 118.42 0.1 1 670 457 74 ALA H H 6.53 0.02 1 671 457 74 ALA HA H 3.56 0.02 1 672 457 74 ALA HB H 1.29 0.02 1 673 457 74 ALA C C 178.49 0.1 1 674 457 74 ALA CA C 55.26 0.1 1 675 457 74 ALA CB C 20.58 0.1 1 676 457 74 ALA N N 116.06 0.1 1 677 458 75 VAL H H 8.13 0.02 1 678 458 75 VAL HA H 3.39 0.02 1 679 458 75 VAL HB H 1.87 0.02 1 680 458 75 VAL HG1 H 0.80 0.02 2 681 458 75 VAL HG2 H 0.91 0.02 2 682 458 75 VAL C C 180.34 0.1 1 683 458 75 VAL CA C 66.21 0.1 1 684 458 75 VAL CB C 32.32 0.1 1 685 458 75 VAL CG1 C 20.95 0.1 1 686 458 75 VAL CG2 C 22.50 0.1 1 687 458 75 VAL N N 116.33 0.1 1 688 459 76 VAL H H 8.49 0.02 1 689 459 76 VAL HA H 3.46 0.02 1 690 459 76 VAL HB H 1.50 0.02 1 691 459 76 VAL HG1 H 0.72 002 2 692 459 76 VAL HG2 H 0.31 0.02 2 693 459 76 VAL C C 177.30 0.1 1 694 459 76 VAL CA C 65.95 0.1 1 695 459 76 VAL CB C 31.19 0.1 1 696 459 76 VAL CG1 C 21.26 0.1 1 697 459 76 VAL CG2 C 21.75 0.1 1 698 459 76 VAL N N 121.68 0.1 1 699 460 77 ALA H H 8.53 0.02 1 700 460 77 ALA HA H 3.79 0.02 1 701 460 77 ALA HB H 1.41 0.02 1 702 460 77 ALA C C 180.35 0.1 1 703 460 77 ALA CA C 56.19 0.1 1 704 460 77 ALA CB C 18.26 0.1 1 705 460 77 ALA N N 123.18 0.1 1 706 461 78 ARG H H 8.11 0.02 1 707 461 78 ARG HA H 4.34 0.02 1 708 461 78 ARG HB2 H 1.72 0.02 2 709 461 78 ARG HB3 H 2.06 0.02 2 710 461 78 ARG HG2 H 1.65 0.02 2 711 461 78 ARG HD2 H 3.22 0.02 2 712 461 78 ARG HD3 H 3.64 0.02 2 713 461 78 ARG C C 181.00 0.1 1 714 461 78 ARG CA C 60.32 0.1 1 715 461 78 ARG CB C 31.04 0.1 1 716 461 78 ARG CD C 44.38 0.1 1 717 461 78 ARG N N 117.68 0.1 1 718 462 79 GLY H H 7.67 0.02 1 719 462 79 GLY HA2 H 3.89 0.02 2 720 462 79 GLY C C 175.09 0.1 1 721 462 79 GLY CA C 46.83 0.1 1 722 462 79 GLY N N 106.41 0.1 1 723 463 80 MET H H 7.63 0.02 1 724 463 80 MET HA H 4.48 0.02 1 725 463 80 MET HB2 H 2.00 0.02 2 726 463 80 MET HB3 H 2.07 0.02 2 727 463 80 MET HG2 H 2.55 0.02 2 728 463 80 MET C C 176.49 0.1 1 729 463 80 MET CA C 56.08 0.1 1 730 463 80 MET CB C 33.97 0.1 1 731 463 80 MET CG C 31.36 0.1 1 732 463 80 MET N N 116.97 0.1 1 733 464 81 GLY H H 7.82 0.02 1 734 464 81 GLY HA2 H 4.01 0.02 2 735 464 81 GLY HA3 H 3.80 0.02 2 736 464 81 GLY C C 174.89 0.1 1 737 464 81 GLY CA C 46.43 0.1 1 738 464 81 GLY N N 109.97 0.1 1 739 465 82 THR H H 8.00 0.02 1 740 465 82 THR HA H 4.38 0.02 1 741 465 82 THR HB H 3.52 0.02 1 742 465 82 THR HG2 H 1.10 0.02 1 743 465 82 THR C C 172.89 0.1 1 744 465 82 THR CA C 61.61 0.1 1 745 465 82 THR CB C 71.23 0.1 1 746 465 82 THR CG2 C 21.66 0.1 1 747 465 82 THR N N 118.20 0.1 1 748 466 83 CYS H H 8.42 0.02 1 749 466 83 CYS HA H 3.94 0.02 1 750 466 83 CYS HB2 H 2.55 0.02 2 751 466 83 CYS HB3 H 2.87 0.02 2 752 466 83 CYS C C 173.61 0.1 1 753 466 83 CYS CA C 58.83 0.1 1 754 466 83 CYS CB C 27.53 0.1 1 755 466 83 CYS N N 128.23 0.1 1 756 467 84 CYS H H 8.62 0.02 1 757 467 84 CYS HA H 5.36 0.02 1 758 467 84 CYS HB2 H 2.25 0.02 2 759 467 84 CYS HB3 H 2.59 0.02 2 760 467 84 CYS C C 172.68 0.1 1 761 467 84 CYS CA C 56.61 0.1 1 762 467 84 CYS CB C 29.48 0.1 1 763 467 84 CYS N N 128.48 0.1 1 764 468 85 VAL H H 8.35 0.02 1 765 468 85 VAL HA H 4.74 0.02 1 766 468 85 VAL HB H 1.78 0.02 1 767 468 85 VAL HG1 H 0.74 0.02 2 768 468 85 VAL HG2 H 0.69 0.02 2 769 468 85 VAL C C 174.00 0.1 1 770 468 85 VAL CA C 61.61 0.1 1 771 468 85 VAL CB C 33.52 0.1 1 772 468 85 VAL CG1 C 22.25 0.1 1 773 468 85 VAL CG2 C 21.75 0.1 1 774 468 85 VAL N N 130.22 0.1 1 775 469 86 SER H H 7.81 0.02 1 776 469 86 SER HA H 5.40 0.02 1 777 469 86 SER HB2 H 3.29 0.02 2 778 469 86 SER HB3 H 3.37 0.02 2 779 469 86 SER C C 174.83 0.1 1 780 469 86 SER CA C 55.40 0.1 1 781 469 86 SER CB C 67.39 0.1 1 782 469 86 SER N N 117.93 0.1 1 783 470 87 GLY H H 7.12 0.02 1 784 470 87 GLY HA2 H 3.81 0.02 2 785 470 87 GLY HA3 H 3.17 0.02 2 786 470 87 GLY C C 175.84 0.1 1 787 470 87 GLY CA C 47.92 0.1 1 788 470 87 GLY N N 110.57 0.1 1 789 471 88 CYS H H 8.81 0.02 1 790 471 88 CYS HA H 4.64 0.02 1 791 471 88 CYS HB2 H 2.17 0.02 2 792 471 88 CYS HB3 H 2.85 0.02 2 793 471 88 CYS C C 173.71 0.1 1 794 471 88 CYS CA C 58.39 0.1 1 795 471 88 CYS CB C 25.62 0.1 1 796 471 88 CYS N N 121.01 0.1 1 797 472 89 GLY H H 8.05 0.02 1 798 472 89 GLY HA2 H 4.13 0.02 2 799 472 89 GLY HA3 H 3.85 0.02 2 800 472 89 GLY C C 174.34 0.1 1 801 472 89 GLY CA C 46.96 0.1 1 802 472 89 GLY N N 115.30 0.1 1 803 473 90 GLU H H 7.80 0.02 1 804 473 90 GLU HA H 4.21 0.02 1 805 473 90 GLU HB2 H 1.97 0.02 2 806 473 90 GLU HB3 H 2.21 0.02 2 807 473 90 GLU HG2 H 2.41 0.02 2 808 473 90 GLU C C 176.88 0.1 1 809 473 90 GLU CA C 58.28 0.1 1 810 473 90 GLU CB C 30.03 0.1 1 811 473 90 GLU CG C 38.06 0.1 1 812 473 90 GLU N N 117.39 0.1 1 813 474 91 ILE H H 7.49 0.02 1 814 474 91 ILE HA H 4.36 0.02 1 815 474 91 ILE HB H 1.99 0.02 1 816 474 91 ILE HG12 H 0.89 0.02 2 817 474 91 ILE HG2 H 0.54 0.02 1 818 474 91 ILE HD1 H 0.47 0.02 1 819 474 91 ILE C C 175.52 0.1 1 820 474 91 ILE CA C 63.11 0.1 1 821 474 91 ILE CB C 38.73 0.1 1 822 474 91 ILE CG1 C 31.23 0.1 1 823 474 91 ILE CG2 C 18.17 0.1 1 824 474 91 ILE CD1 C 14.20 0.1 1 825 474 91 ILE N N 120.48 0.1 1 826 475 92 LYS H H 8.48 0.02 1 827 475 92 LYS HA H 4.77 0.02 1 828 475 92 LYS HB2 H 1.84 0.02 2 829 475 92 LYS HG2 H 1.38 0.02 2 830 475 92 LYS HD2 H 1.70 0.02 2 831 475 92 LYS HE2 H 3.00 0.02 2 832 475 92 LYS C C 176.53 0.1 1 833 475 92 LYS CA C 54.51 0.1 1 834 475 92 LYS CB C 33.88 0.1 1 835 475 92 LYS CG C 24.59 0.1 1 836 475 92 LYS CD C 29.65 0.1 1 837 475 92 LYS CE C 42.29 0.1 1 838 475 92 LYS N N 127.62 0.1 1 839 476 93 ILE H H 9.27 0.02 1 840 476 93 ILE HA H 4.34 0.02 1 841 476 93 ILE HB H 1.72 0.02 1 842 476 93 ILE HG12 H 1.65 0.02 2 843 476 93 ILE HG2 H 0.86 0.02 1 844 476 93 ILE HD1 H 0.75 0.02 1 845 476 93 ILE C C 174.74 0.1 1 846 476 93 ILE CA C 62.00 0.1 1 847 476 93 ILE CB C 40.16 0.1 1 848 476 93 ILE CG1 C 29.39 0.1 1 849 476 93 ILE CG2 C 16.84 0.1 1 850 476 93 ILE CD1 C 13.93 0.1 1 851 476 93 ILE N N 128.01 0.1 1 852 477 94 ASN H H 9.05 0.02 1 853 477 94 ASN HA H 4.91 0.02 1 854 477 94 ASN HB2 H 2.66 0.02 2 855 477 94 ASN HB3 H 3.15 0.02 2 856 477 94 ASN C C 175.10 0.1 1 857 477 94 ASN CA C 51.72 0.1 1 858 477 94 ASN CB C 38.01 0.1 1 859 477 94 ASN N N 127.69 0.1 1 860 478 95 GLU H H 8.99 0.02 1 861 478 95 GLU HA H 3.65 0.02 1 862 478 95 GLU HB2 H 2.05 0.02 2 863 478 95 GLU HG2 H 2.30 0.02 2 864 478 95 GLU C C 178.39 0.1 1 865 478 95 GLU CA C 60.34 0.1 1 866 478 95 GLU CB C 30.14 0.1 1 867 478 95 GLU CG C 37.60 0.1 1 868 478 95 GLU N N 124.13 0.1 1 869 479 96 GLU H H 8.42 0.02 1 870 479 96 GLU HA H 4.03 0.02 1 871 479 96 GLU HB2 H 2.05 0.02 2 872 479 96 GLU HG2 H 2.29 0.02 2 873 479 96 GLU C C 177.64 0.1 1 874 479 96 GLU CA C 59.20 0.1 1 875 479 96 GLU CB C 29.40 0.1 1 876 479 96 GLU CG C 36.94 0.1 1 877 479 96 GLU N N 118.53 0.1 1 878 480 97 ALA H H 7.34 0.02 1 879 480 97 ALA HA H 4.14 0.02 1 880 480 97 ALA HB H 1.22 0.02 1 881 480 97 ALA C C 176.27 0.1 1 882 480 97 ALA CA C 51.72 0.1 1 883 480 97 ALA CB C 19.45 0.1 1 884 480 97 ALA N N 119.63 0.1 1 885 481 98 LYS H H 7.66 0.02 1 886 481 98 LYS HA H 2.75 0.02 1 887 481 98 LYS HB2 H 1.57 0.02 2 888 481 98 LYS HB3 H 2.15 0.02 2 889 481 98 LYS HG2 H 1.36 0.02 2 890 481 98 LYS HD2 H 1.75 0.02 2 891 481 98 LYS HE2 H 3.10 0.02 2 892 481 98 LYS C C 174.44 0.1 1 893 481 98 LYS CA C 57.11 0.1 1 894 481 98 LYS CB C 29.79 0.1 1 895 481 98 LYS CG C 25.21 0.1 1 896 481 98 LYS CD C 29.80 0.1 1 897 481 98 LYS CE C 42.46 0.1 1 898 481 98 LYS N N 114.49 0.1 1 899 482 99 THR H H 7.39 0.02 1 900 482 99 THR HA H 5.52 0.02 1 901 482 99 THR HB H 4.05 0.02 1 902 482 99 THR HG2 H 1.00 0.02 1 903 482 99 THR C C 174.48 0.1 1 904 482 99 THR CA C 59.33 0.1 1 905 482 99 THR CB C 73.59 0.1 1 906 482 99 THR CG2 C 21.16 0.1 1 907 482 99 THR N N 107.64 0.1 1 908 483 100 PHE H H 9.29 0.02 1 909 483 100 PHE HA H 5.63 0.02 1 910 483 100 PHE HB2 H 2.99 0.02 2 911 483 100 PHE HB3 H 3.08 0.02 2 912 483 100 PHE HD1 H 7.15 0.02 3 913 483 100 PHE HE1 H 6.87 0.02 3 914 483 100 PHE HZ H 6.40 0.02 1 915 483 100 PHE C C 171.75 0.1 1 916 483 100 PHE CA C 56.63 0.1 1 917 483 100 PHE CB C 43.15 0.1 1 918 483 100 PHE CD1 C 132.23 0.1 1 919 483 100 PHE CE1 C 130.68 0.1 1 920 483 100 PHE CZ C 128.81 0.1 1 921 483 100 PHE N N 115.41 0.1 1 922 484 101 GLU H H 8.83 0.02 1 923 484 101 GLU HA H 5.55 0.02 1 924 484 101 GLU HB2 H 1.93 0.02 2 925 484 101 GLU HB3 H 2.11 0.02 2 926 484 101 GLU HG2 H 2.20 0.02 2 927 484 101 GLU C C 175.72 0.1 1 928 484 101 GLU CA C 53.95 0.1 1 929 484 101 GLU CB C 33.38 0.1 1 930 484 101 GLU CG C 36.55 0.1 1 931 484 101 GLU N N 121.60 0.1 1 932 485 102 LEU H H 8.85 0.02 1 933 485 102 LEU HA H 4.69 0.02 1 934 485 102 LEU HB2 H 1.86 0.02 2 935 485 102 LEU HG H 1.57 0.02 1 936 485 102 LEU HD1 H 0.72 0.02 2 937 485 102 LEU HD2 H 0.96 0.02 2 938 485 102 LEU C C 176.39 0.1 1 939 485 102 LEU CA C 55.56 0.1 1 940 485 102 LEU CB C 45.61 0.1 1 941 485 102 LEU CG C 26.50 0.1 1 942 485 102 LEU CD1 C 23.25 0.1 1 943 485 102 LEU CD2 C 23.47 0.1 1 944 485 102 LEU N N 124.09 0.1 1 945 486 103 GLY H H 9.12 0.02 1 946 486 103 GLY HA2 H 4.17 0.02 2 947 486 103 GLY HA3 H 3.98 0.02 2 948 486 103 GLY C C 175.27 0.1 1 949 486 103 GLY CA C 47.36 0.1 1 950 486 103 GLY N N 115.68 0.1 1 951 487 104 GLY H H 9.01 0.02 1 952 487 104 GLY HA2 H 4.04 0.02 2 953 487 104 GLY HA3 H 3.53 0.02 2 954 487 104 GLY C C 173.49 0.1 1 955 487 104 GLY CA C 44.66 0.1 1 956 487 104 GLY N N 106.69 0.1 1 957 488 105 HIS H H 7.79 0.02 1 958 488 105 HIS HA H 4.56 0.02 1 959 488 105 HIS HB2 H 2.52 0.02 2 960 488 105 HIS HB3 H 3.09 0.02 2 961 488 105 HIS HD1 H 6.72 0.02 1 962 488 105 HIS C C 173.75 0.1 1 963 488 105 HIS CA C 55.00 0.1 1 964 488 105 HIS CB C 33.62 0.1 1 965 488 105 HIS N N 121.02 0.1 1 966 489 106 THR H H 8.24 0.02 1 967 489 106 THR HA H 4.70 0.02 1 968 489 106 THR HB H 3.73 0.02 1 969 489 106 THR HG2 H 0.99 0.02 1 970 489 106 THR C C 173.28 0.1 1 971 489 106 THR CA C 62.18 0.1 1 972 489 106 THR CB C 69.71 0.1 1 973 489 106 THR CG2 C 20.97 0.1 1 974 489 106 THR N N 118.19 0.1 1 975 490 107 PHE H H 9.28 0.02 1 976 490 107 PHE HA H 4.45 0.02 1 977 490 107 PHE HB2 H 1.59 0.02 2 978 490 107 PHE HB3 H 2.33 0.02 2 979 490 107 PHE HD1 H 6.62 0.02 3 980 490 107 PHE HE1 H 7.26 0.02 3 981 490 107 PHE HZ H 6.80 0.02 1 982 490 107 PHE C C 173.25 0.1 1 983 490 107 PHE CA C 57.19 0.1 1 984 490 107 PHE CB C 41.49 0.1 1 985 490 107 PHE CD1 C 132.54 0.1 1 986 490 107 PHE CE1 C 130.68 0.1 1 987 490 107 PHE CZ C 127.88 0.1 1 988 490 107 PHE N N 127.59 0.1 1 989 491 108 ALA H H 8.92 0.02 1 990 491 108 ALA HA H 5.04 0.02 1 991 491 108 ALA HB H 1.42 0.02 1 992 491 108 ALA C C 176.70 0.1 1 993 491 108 ALA CA C 49.51 0.1 1 994 491 108 ALA CB C 21.76 0.1 1 995 491 108 ALA N N 125.99 0.1 1 996 492 109 GLU H H 7.83 0.02 1 997 492 109 GLU HA H 3.93 0.02 1 998 492 109 GLU HB2 H 2.15 0.02 2 999 492 109 GLU HG2 H 1.84 0.02 2 1000 492 109 GLU HG3 H 2.17 0.02 2 1001 492 109 GLU C C 177.66 0.1 1 1002 492 109 GLU CA C 57.76 0.1 1 1003 492 109 GLU CB C 31.05 0.1 1 1004 492 109 GLU CG C 38.52 0.1 1 1005 492 109 GLU N N 118.93 0.1 1 1006 493 110 GLY H H 9.70 0.02 1 1007 493 110 GLY HA2 H 3.04 0.02 2 1008 493 110 GLY HA3 H 4.43 0.02 2 1009 493 110 GLY C C 173.61 0.1 1 1010 493 110 GLY CA C 44.81 0.1 1 1011 493 110 GLY N N 116.92 0.1 1 1012 494 111 ASP H H 8.30 0.02 1 1013 494 111 ASP HA H 4.75 0.02 1 1014 494 111 ASP HB2 H 2.85 0.02 2 1015 494 111 ASP HB3 H 3.09 0.02 2 1016 494 111 ASP C C 175.98 0.1 1 1017 494 111 ASP CA C 54.79 0.1 1 1018 494 111 ASP CB C 41.88 0.1 1 1019 494 111 ASP N N 122.28 0.1 1 1020 495 112 TYR H H 8.60 0.02 1 1021 495 112 TYR HA H 5.04 0.02 1 1022 495 112 TYR HB2 H 2.42 0.02 2 1023 495 112 TYR HB3 H 2.78 0.02 2 1024 495 112 TYR HD1 H 6.97 0.02 3 1025 495 112 TYR HE1 H 6.72 0.02 3 1026 495 112 TYR C C 177.42 0.1 1 1027 495 112 TYR CA C 59.35 0.1 1 1028 495 112 TYR CB C 40.40 0.1 1 1029 495 112 TYR CD1 C 132.85 0.1 1 1030 495 112 TYR CE1 C 118.25 0.1 1 1031 495 112 TYR N N 117.32 0.1 1 1032 496 113 ILE H H 8.68 0.02 1 1033 496 113 ILE HA H 4.79 0.02 1 1034 496 113 ILE HB H 1.73 0.02 1 1035 496 113 ILE HG12 H 1.18 0.02 2 1036 496 113 ILE HG2 H 0.44 0.02 1 1037 496 113 ILE HD1 H 0.26 0.02 1 1038 496 113 ILE C C 173.55 0.1 1 1039 496 113 ILE CA C 60.47 0.1 1 1040 496 113 ILE CB C 42.56 0.1 1 1041 496 113 ILE CG1 C 26.46 0.1 1 1042 496 113 ILE CG2 C 17.74 0.1 1 1043 496 113 ILE CD1 C 14.55 0.1 1 1044 496 113 ILE N N 119.17 0.1 1 1045 497 114 SER H H 8.46 0.02 1 1046 497 114 SER HA H 5.67 0.02 1 1047 497 114 SER HB2 H 3.52 0.02 2 1048 497 114 SER HB3 H 3.75 0.02 2 1049 497 114 SER C C 172.19 0.1 1 1050 497 114 SER CA C 57.13 0.1 1 1051 497 114 SER CB C 66.29 0.1 1 1052 497 114 SER N N 113.07 0.1 1 1053 498 115 LEU H H 9.49 0.02 1 1054 498 115 LEU HA H 5.12 0.02 1 1055 498 115 LEU HB2 H 1.16 0.02 2 1056 498 115 LEU HB3 H 1.79 0.02 2 1057 498 115 LEU HG H 1.44 0.02 1 1058 498 115 LEU HD1 H 0.63 0.02 2 1059 498 115 LEU HD2 H 0.79 0.02 2 1060 498 115 LEU C C 175.75 0.1 1 1061 498 115 LEU CA C 52.93 0.1 1 1062 498 115 LEU CB C 47.42 0.1 1 1063 498 115 LEU CG C 27.20 0.1 1 1064 498 115 LEU CD1 C 26.36 0.1 1 1065 498 115 LEU CD2 C 25.80 0.1 1 1066 498 115 LEU N N 121.59 0.1 1 1067 499 116 ASP H H 8.55 0.02 1 1068 499 116 ASP HA H 5.19 0.02 1 1069 499 116 ASP HB2 H 2.46 0.02 2 1070 499 116 ASP HB3 H 3.25 0.02 2 1071 499 116 ASP C C 177.07 0.1 1 1072 499 116 ASP CA C 52.82 0.1 1 1073 499 116 ASP CB C 42.95 0.1 1 1074 499 116 ASP N N 119.07 0.1 1 1075 500 117 GLY H H 9.21 0.02 1 1076 500 117 GLY HA2 H 4.43 0.02 2 1077 500 117 GLY HA3 H 3.80 0.02 2 1078 500 117 GLY C C 174.22 0.1 1 1079 500 117 GLY CA C 46.58 0.1 1 1080 500 117 GLY N N 115.31 0.1 1 1081 501 118 SER H H 8.80 0.02 1 1082 501 118 SER HA H 4.54 0.02 1 1083 501 118 SER HB2 H 3.96 0.02 2 1084 501 118 SER HB3 H 4.21 0.02 2 1085 501 118 SER C C 176.14 0.1 1 1086 501 118 SER CA C 60.99 0.1 1 1087 501 118 SER CB C 62.90 0.1 1 1088 501 118 SER N N 113.72 0.1 1 1089 502 119 THR H H 7.32 0.02 1 1090 502 119 THR HA H 4.51 0.02 1 1091 502 119 THR HB H 4.31 0.02 1 1092 502 119 THR HG2 H 1.19 0.02 1 1093 502 119 THR C C 176.29 0.1 1 1094 502 119 THR CA C 61.43 0.1 1 1095 502 119 THR CB C 71.18 0.1 1 1096 502 119 THR CG2 C 21.16 0.1 1 1097 502 119 THR N N 108.11 0.1 1 1098 503 120 GLY H H 8.88 0.02 1 1099 503 120 GLY HA2 H 4.37 0.02 2 1100 503 120 GLY HA3 H 3.29 0.02 2 1101 503 120 GLY C C 172.52 0.1 1 1102 503 120 GLY CA C 45.18 0.1 1 1103 503 120 GLY N N 112.47 0.1 1 1104 504 121 LYS H H 7.39 0.02 1 1105 504 121 LYS HA H 4.35 0.02 1 1106 504 121 LYS HB2 H 1.72 0.02 2 1107 504 121 LYS HB3 H 1.30 0.02 2 1108 504 121 LYS HG2 H 1.46 0.02 2 1109 504 121 LYS HD2 H 1.66 0.02 2 1110 504 121 LYS HE2 H 2.97 0.02 2 1111 504 121 LYS C C 173.76 0.1 1 1112 504 121 LYS CA C 57.17 0.1 1 1113 504 121 LYS CB C 35.33 0.1 1 1114 504 121 LYS CG C 26.64 0.1 1 1115 504 121 LYS CD C 28.94 0.1 1 1116 504 121 LYS CE C 44.91 0.1 1 1117 504 121 LYS N N 118.71 0.1 1 1118 505 122 ILE H H 7.65 0.02 1 1119 505 122 ILE HA H 4.43 0.02 1 1120 505 122 ILE HB H 1.05 0.02 1 1121 505 122 ILE HG12 H 1.45 0.02 2 1122 505 122 ILE HG2 H 0.63 0.02 1 1123 505 122 ILE C C 174.25 0.1 1 1124 505 122 ILE CA C 60.54 0.1 1 1125 505 122 ILE CB C 41.34 0.1 1 1126 505 122 ILE CG1 C 27.69 0.1 1 1127 505 122 ILE CG2 C 18.18 0.1 1 1128 505 122 ILE N N 119.81 0.1 1 1129 506 123 TYR H H 9.39 0.02 1 1130 506 123 TYR HA H 5.28 0.02 1 1131 506 123 TYR HB2 H 2.55 0.02 2 1132 506 123 TYR HB3 H 2.74 0.02 2 1133 506 123 TYR HD1 H 6.68 0.02 3 1134 506 123 TYR HE1 H 6.54 0.02 3 1135 506 123 TYR C C 175.37 0.1 1 1136 506 123 TYR CA C 56.06 0.1 1 1137 506 123 TYR CB C 41.60 0.1 1 1138 506 123 TYR CD1 C 133.16 0.1 1 1139 506 123 TYR CE1 C 118.25 0.1 1 1140 506 123 TYR N N 124.60 0.1 1 1141 507 124 LYS H H 8.41 0.02 1 1142 507 124 LYS HA H 4.31 0.02 1 1143 507 124 LYS HB2 H 1.66 0.02 2 1144 507 124 LYS HB3 H 1.86 0.02 2 1145 507 124 LYS HG2 H 1.46 0.02 2 1146 507 124 LYS HD2 H 1.36 0.02 2 1147 507 124 LYS HE2 H 2.74 0.02 2 1148 507 124 LYS C C 175.88 0.1 1 1149 507 124 LYS CA C 57.09 0.1 1 1150 507 124 LYS CB C 34.36 0.1 1 1151 507 124 LYS CG C 25.91 0.1 1 1152 507 124 LYS CD C 29.38 0.1 1 1153 507 124 LYS CE C 41.89 0.1 1 1154 507 124 LYS N N 120.63 0.1 1 1155 508 125 GLY H H 7.50 0.02 1 1156 508 125 GLY HA2 H 4.15 0.02 2 1157 508 125 GLY HA3 H 3.61 0.02 2 1158 508 125 GLY C C 171.10 0.1 1 1159 508 125 GLY CA C 44.92 0.1 1 1160 508 125 GLY N N 112.80 0.1 1 1161 509 126 ASP H H 8.11 0.02 1 1162 509 126 ASP HA H 4.38 0.02 1 1163 509 126 ASP HB2 H 1.66 0.02 2 1164 509 126 ASP HB3 H 2.36 0.02 2 1165 509 126 ASP C C 175.82 0.1 1 1166 509 126 ASP CA C 52.30 0.1 1 1167 509 126 ASP CB C 41.47 0.1 1 1168 509 126 ASP N N 118.81 0.1 1 1169 510 127 ILE H H 7.75 0.02 1 1170 510 127 ILE HA H 3.95 0.02 1 1171 510 127 ILE HB H 1.64 0.02 1 1172 510 127 ILE HG12 H 1.16 0.02 2 1173 510 127 ILE HG2 H 0.61 0.02 1 1174 510 127 ILE HD1 H 0.45 0.02 1 1175 510 127 ILE C C 174.83 0.1 1 1176 510 127 ILE CA C 61.24 0.1 1 1177 510 127 ILE CB C 38.19 0.1 1 1178 510 127 ILE CG1 C 26.70 0.1 1 1179 510 127 ILE CG2 C 17.44 0.1 1 1180 510 127 ILE CD1 C 12.97 0.1 1 1181 510 127 ILE N N 122.05 0.1 1 1182 511 128 GLU H H 7.66 0.02 1 1183 511 128 GLU HA H 3.95 0.02 1 1184 511 128 GLU HB2 H 1.87 0.02 2 1185 511 128 GLU HB3 H 2.10 0.02 2 1186 511 128 GLU CA C 58.34 0.1 1 1187 511 128 GLU CB C 31.24 0.1 1 1188 511 128 GLU N N 129.47 0.1 1 stop_ save_