data_18398 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the WNK1 Autoinhibitory Domain ; _BMRB_accession_number 18398 _BMRB_flat_file_name bmr18398.str _Entry_type original _Submission_date 2012-04-13 _Accession_date 2012-04-13 _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 Moon Thomas M. . 2 Correa Fernando . . 3 Gardner Kevin H. . 4 Goldsmith Elizabeth J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 602 "13C chemical shifts" 438 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-04-19 update BMRB 'update entry citation' 2012-04-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the WNK1 Autoinhibitory Domain, a WNK-Specific PF2 Domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23376100 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moon Thomas M. . 2 Correa Fernando . . 3 Kinch Lisa N. . 4 Piala Alexander T. . 5 Gardner Kevin H. . 6 Goldsmith Elizabeth J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1245 _Page_last 1252 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'WNK1 Autoinhibitory Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'WNK1 Autoinhibitory Domain' $WNKAI 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_WNKAI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WNKAI _Molecular_mass 11358.971 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; GAMDPQEETGVRVELAEEDD GEKIAIKLWLRIEDIKKLKG KYKDNEAIEFSFDLERDVPE DVAQEMVESGYVCEGDHKTM AKAIKDRVSLIKRKREQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 475 GLY 2 476 ALA 3 477 MET 4 478 ASP 5 479 PRO 6 480 GLN 7 481 GLU 8 482 GLU 9 483 THR 10 484 GLY 11 485 VAL 12 486 ARG 13 487 VAL 14 488 GLU 15 489 LEU 16 490 ALA 17 491 GLU 18 492 GLU 19 493 ASP 20 494 ASP 21 495 GLY 22 496 GLU 23 497 LYS 24 498 ILE 25 499 ALA 26 500 ILE 27 501 LYS 28 502 LEU 29 503 TRP 30 504 LEU 31 505 ARG 32 506 ILE 33 507 GLU 34 508 ASP 35 509 ILE 36 510 LYS 37 511 LYS 38 512 LEU 39 513 LYS 40 514 GLY 41 515 LYS 42 516 TYR 43 517 LYS 44 518 ASP 45 519 ASN 46 520 GLU 47 521 ALA 48 522 ILE 49 523 GLU 50 524 PHE 51 525 SER 52 526 PHE 53 527 ASP 54 528 LEU 55 529 GLU 56 530 ARG 57 531 ASP 58 532 VAL 59 533 PRO 60 534 GLU 61 535 ASP 62 536 VAL 63 537 ALA 64 538 GLN 65 539 GLU 66 540 MET 67 541 VAL 68 542 GLU 69 543 SER 70 544 GLY 71 545 TYR 72 546 VAL 73 547 CYS 74 548 GLU 75 549 GLY 76 550 ASP 77 551 HIS 78 552 LYS 79 553 THR 80 554 MET 81 555 ALA 82 556 LYS 83 557 ALA 84 558 ILE 85 559 LYS 86 560 ASP 87 561 ARG 88 562 VAL 89 563 SER 90 564 LEU 91 565 ILE 92 566 LYS 93 567 ARG 94 568 LYS 95 569 ARG 96 570 GLU 97 571 GLN 98 572 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2LRU "Solution Structure Of The Wnk1 Autoinhibitory Domain" 100.00 98 100.00 100.00 7.42e-62 DBJ BAA20802 "KIAA0344 [Homo sapiens]" 94.90 2066 100.00 100.00 5.31e-54 DBJ BAD32213 "mKIAA0344 protein [Mus musculus]" 94.90 800 100.00 100.00 5.75e-50 DBJ BAE21813 "unnamed protein product [Mus musculus]" 94.90 578 100.00 100.00 4.51e-54 EMBL CAC15059 "putative protein kinase [Homo sapiens]" 94.90 2382 100.00 100.00 4.07e-55 GB AAF31483 "kinase deficient protein KDP [Homo sapiens]" 94.90 670 100.00 100.00 3.29e-54 GB AAF74258 "protein kinase WNK1 [Rattus norvegicus]" 94.90 2126 100.00 100.00 3.38e-54 GB AAH30370 "Wnk1 protein, partial [Mus musculus]" 94.90 417 100.00 100.00 4.81e-51 GB AAI28629 "LOC100036683 protein [Xenopus (Silurana) tropicalis]" 94.90 2102 98.92 100.00 2.32e-54 GB AAI38446 "Wnk1 protein [Mus musculus]" 94.90 2128 100.00 100.00 5.18e-54 REF NP_001002823 "serine/threonine-protein kinase WNK1 isoform 1 [Rattus norvegicus]" 94.90 2634 100.00 100.00 4.32e-55 REF NP_001090703 "serine/threonine-protein kinase WNK1 [Xenopus (Silurana) tropicalis]" 94.90 2102 98.92 100.00 2.32e-54 REF NP_001171914 "serine/threonine-protein kinase WNK1 isoform 4 [Homo sapiens]" 94.90 2642 100.00 100.00 4.33e-55 REF NP_001171949 "serine/threonine-protein kinase WNK1 isoform 2 [Mus musculus]" 94.90 2128 100.00 100.00 5.18e-54 REF NP_001171950 "serine/threonine-protein kinase WNK1 isoform 3 [Mus musculus]" 94.90 2195 100.00 100.00 1.52e-54 SP P83741 "RecName: Full=Serine/threonine-protein kinase WNK1; AltName: Full=Protein kinase lysine-deficient 1; AltName: Full=Protein kina" 94.90 2377 100.00 100.00 4.07e-55 SP Q9H4A3 "RecName: Full=Serine/threonine-protein kinase WNK1; AltName: Full=Erythrocyte 65 kDa protein; Short=p65; AltName: Full=Kinase d" 94.90 2382 100.00 100.00 4.07e-55 SP Q9JIH7 "RecName: Full=Serine/threonine-protein kinase WNK1; AltName: Full=Protein kinase lysine-deficient 1; AltName: Full=Protein kina" 94.90 2126 100.00 100.00 3.48e-54 TPG DAA29175 "TPA: WNK lysine deficient protein kinase 1 [Bos taurus]" 94.90 2376 97.85 100.00 3.94e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $WNKAI Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $WNKAI 'recombinant technology' . Escherichia coli . pHis-parallel 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 $WNKAI 0.65 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_INOVA _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 0.010 . M pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'WNK1 Autoinhibitory Domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 476 2 ALA HA H 4.280 0.03 1 2 476 2 ALA HB H 1.398 0.03 1 3 476 2 ALA C C 177.894 0.3 1 4 476 2 ALA CA C 53.384 0.3 1 5 476 2 ALA CB C 19.520 0.3 1 6 477 3 MET H H 8.425 0.03 1 7 477 3 MET HA H 4.455 0.03 1 8 477 3 MET HB2 H 1.990 0.03 2 9 477 3 MET HB3 H 2.121 0.03 2 10 477 3 MET HG2 H 2.523 0.03 2 11 477 3 MET HG3 H 2.607 0.03 2 12 477 3 MET C C 175.772 0.3 1 13 477 3 MET CA C 55.261 0.3 1 14 477 3 MET CB C 32.951 0.3 1 15 477 3 MET CG C 32.330 0.3 1 16 477 3 MET N N 118.069 0.3 1 17 478 4 ASP H H 8.100 0.03 1 18 478 4 ASP HA H 4.874 0.03 1 19 478 4 ASP HB2 H 2.554 0.03 2 20 478 4 ASP HB3 H 2.735 0.03 2 21 478 4 ASP CA C 52.486 0.3 1 22 478 4 ASP CB C 40.923 0.3 1 23 478 4 ASP N N 122.830 0.3 1 24 479 5 PRO HA H 4.420 0.03 1 25 479 5 PRO HB2 H 1.953 0.03 2 26 479 5 PRO HB3 H 2.046 0.03 2 27 479 5 PRO HG2 H 2.309 0.03 2 28 479 5 PRO HG3 H 2.309 0.03 2 29 479 5 PRO HD2 H 3.752 0.03 2 30 479 5 PRO HD3 H 3.859 0.03 2 31 479 5 PRO C C 177.334 0.3 1 32 479 5 PRO CA C 63.736 0.3 1 33 479 5 PRO CB C 32.237 0.3 1 34 479 5 PRO CG C 27.605 0.3 1 35 479 5 PRO CD C 50.860 0.3 1 36 480 6 GLN H H 8.491 0.03 1 37 480 6 GLN HA H 4.313 0.03 1 38 480 6 GLN HB2 H 2.014 0.03 2 39 480 6 GLN HB3 H 2.132 0.03 2 40 480 6 GLN HG2 H 2.370 0.03 2 41 480 6 GLN HG3 H 2.380 0.03 2 42 480 6 GLN HE21 H 7.543 0.03 2 43 480 6 GLN HE22 H 6.786 0.03 2 44 480 6 GLN C C 176.206 0.3 1 45 480 6 GLN CA C 56.089 0.3 1 46 480 6 GLN CB C 29.564 0.3 1 47 480 6 GLN CG C 34.172 0.3 1 48 480 6 GLN N N 120.002 0.3 1 49 480 6 GLN NE2 N 112.165 0.3 1 50 481 7 GLU H H 8.281 0.03 1 51 481 7 GLU HA H 4.290 0.03 1 52 481 7 GLU HB2 H 1.976 0.03 2 53 481 7 GLU HB3 H 2.069 0.03 2 54 481 7 GLU HG2 H 2.244 0.03 2 55 481 7 GLU HG3 H 2.244 0.03 2 56 481 7 GLU C C 176.618 0.3 1 57 481 7 GLU CA C 56.750 0.3 1 58 481 7 GLU CB C 30.678 0.3 1 59 481 7 GLU CG C 36.399 0.3 1 60 481 7 GLU N N 121.787 0.3 1 61 482 8 GLU H H 8.394 0.03 1 62 482 8 GLU HA H 4.437 0.03 1 63 482 8 GLU HB2 H 2.109 0.03 2 64 482 8 GLU HB3 H 1.985 0.03 2 65 482 8 GLU HG2 H 2.274 0.03 2 66 482 8 GLU HG3 H 2.274 0.03 2 67 482 8 GLU C C 176.980 0.3 1 68 482 8 GLU CA C 56.600 0.3 1 69 482 8 GLU CB C 30.337 0.3 1 70 482 8 GLU CG C 36.468 0.3 1 71 482 8 GLU N N 122.500 0.3 1 72 483 9 THR H H 8.385 0.03 1 73 483 9 THR HA H 4.350 0.03 1 74 483 9 THR HB H 4.310 0.03 1 75 483 9 THR HG2 H 1.270 0.03 1 76 483 9 THR C C 175.423 0.3 1 77 483 9 THR CA C 62.164 0.3 1 78 483 9 THR CB C 70.659 0.3 1 79 483 9 THR CG2 C 21.920 0.3 1 80 483 9 THR N N 113.140 0.3 1 81 484 10 GLY H H 8.512 0.03 1 82 484 10 GLY HA2 H 3.845 0.03 2 83 484 10 GLY HA3 H 4.293 0.03 2 84 484 10 GLY C C 173.163 0.3 1 85 484 10 GLY CA C 45.867 0.3 1 86 484 10 GLY N N 107.935 0.3 1 87 485 11 VAL H H 7.619 0.03 1 88 485 11 VAL HA H 4.959 0.03 1 89 485 11 VAL HB H 1.795 0.03 1 90 485 11 VAL HG1 H 0.780 0.03 2 91 485 11 VAL HG2 H 0.725 0.03 2 92 485 11 VAL C C 173.912 0.3 1 93 485 11 VAL CA C 59.839 0.3 1 94 485 11 VAL CB C 35.484 0.3 1 95 485 11 VAL CG1 C 22.320 0.3 2 96 485 11 VAL CG2 C 20.982 0.3 2 97 485 11 VAL N N 115.897 0.3 1 98 486 12 ARG H H 8.810 0.03 1 99 486 12 ARG HA H 4.682 0.03 1 100 486 12 ARG HB2 H 1.698 0.03 2 101 486 12 ARG HB3 H 1.774 0.03 2 102 486 12 ARG HG2 H 1.479 0.03 2 103 486 12 ARG HG3 H 1.480 0.03 2 104 486 12 ARG HD2 H 3.171 0.03 2 105 486 12 ARG HD3 H 3.227 0.03 2 106 486 12 ARG C C 173.943 0.3 1 107 486 12 ARG CA C 54.941 0.3 1 108 486 12 ARG CB C 34.309 0.3 1 109 486 12 ARG CG C 27.500 0.3 1 110 486 12 ARG CD C 43.530 0.3 1 111 486 12 ARG N N 122.943 0.3 1 112 487 13 VAL H H 8.748 0.03 1 113 487 13 VAL HA H 5.447 0.03 1 114 487 13 VAL HB H 1.832 0.03 1 115 487 13 VAL HG1 H 0.974 0.03 2 116 487 13 VAL HG2 H 0.885 0.03 2 117 487 13 VAL C C 175.235 0.3 1 118 487 13 VAL CA C 60.584 0.3 1 119 487 13 VAL CB C 33.344 0.3 1 120 487 13 VAL CG1 C 23.410 0.3 2 121 487 13 VAL CG2 C 23.593 0.3 2 122 487 13 VAL N N 123.706 0.3 1 123 488 14 GLU H H 9.064 0.03 1 124 488 14 GLU HA H 4.733 0.03 1 125 488 14 GLU HB2 H 1.741 0.03 2 126 488 14 GLU HB3 H 2.098 0.03 2 127 488 14 GLU HG2 H 2.184 0.03 2 128 488 14 GLU HG3 H 2.240 0.03 2 129 488 14 GLU C C 175.055 0.3 1 130 488 14 GLU CA C 53.756 0.3 1 131 488 14 GLU CB C 34.561 0.3 1 132 488 14 GLU CG C 34.700 0.3 1 133 488 14 GLU N N 126.247 0.3 1 134 489 15 LEU H H 8.687 0.03 1 135 489 15 LEU HA H 4.257 0.03 1 136 489 15 LEU HB2 H 1.647 0.03 2 137 489 15 LEU HB3 H 1.994 0.03 2 138 489 15 LEU HG H 1.655 0.03 1 139 489 15 LEU HD1 H 1.020 0.03 2 140 489 15 LEU HD2 H 0.915 0.03 2 141 489 15 LEU C C 177.110 0.3 1 142 489 15 LEU CA C 56.646 0.3 1 143 489 15 LEU CB C 42.523 0.3 1 144 489 15 LEU CG C 28.558 0.3 1 145 489 15 LEU CD1 C 25.876 0.3 2 146 489 15 LEU CD2 C 24.550 0.3 2 147 489 15 LEU N N 121.698 0.3 1 148 490 16 ALA H H 8.552 0.03 1 149 490 16 ALA HA H 4.021 0.03 1 150 490 16 ALA HB H 0.515 0.03 1 151 490 16 ALA C C 175.941 0.3 1 152 490 16 ALA CA C 51.583 0.3 1 153 490 16 ALA CB C 18.645 0.3 1 154 490 16 ALA N N 124.126 0.3 1 155 491 17 GLU H H 7.475 0.03 1 156 491 17 GLU HA H 4.510 0.03 1 157 491 17 GLU HB2 H 1.976 0.03 2 158 491 17 GLU HB3 H 2.053 0.03 2 159 491 17 GLU HG2 H 1.977 0.03 2 160 491 17 GLU HG3 H 2.173 0.03 2 161 491 17 GLU C C 174.135 0.3 1 162 491 17 GLU CA C 53.850 0.3 1 163 491 17 GLU CB C 32.410 0.3 1 164 491 17 GLU CG C 35.009 0.3 1 165 491 17 GLU N N 115.148 0.3 1 166 492 18 GLU H H 8.393 0.03 1 167 492 18 GLU HA H 4.094 0.03 1 168 492 18 GLU HB2 H 1.919 0.03 2 169 492 18 GLU HB3 H 1.919 0.03 2 170 492 18 GLU HG2 H 2.176 0.03 2 171 492 18 GLU HG3 H 2.254 0.03 2 172 492 18 GLU C C 176.626 0.3 1 173 492 18 GLU CA C 57.031 0.3 1 174 492 18 GLU CB C 30.339 0.3 1 175 492 18 GLU CG C 36.430 0.3 1 176 492 18 GLU N N 118.870 0.3 1 177 493 19 ASP H H 8.659 0.03 1 178 493 19 ASP HA H 4.608 0.03 1 179 493 19 ASP HB2 H 2.507 0.03 2 180 493 19 ASP HB3 H 2.778 0.03 2 181 493 19 ASP C C 176.096 0.3 1 182 493 19 ASP CA C 53.945 0.3 1 183 493 19 ASP CB C 41.072 0.3 1 184 493 19 ASP N N 123.312 0.3 1 185 494 20 ASP H H 7.806 0.03 1 186 494 20 ASP HA H 4.587 0.03 1 187 494 20 ASP HB2 H 2.610 0.03 2 188 494 20 ASP HB3 H 3.103 0.03 2 189 494 20 ASP C C 177.523 0.3 1 190 494 20 ASP CA C 53.339 0.3 1 191 494 20 ASP CB C 41.341 0.3 1 192 494 20 ASP N N 126.432 0.3 1 193 495 21 GLY H H 8.646 0.03 1 194 495 21 GLY HA2 H 3.622 0.03 2 195 495 21 GLY HA3 H 4.167 0.03 2 196 495 21 GLY C C 173.020 0.3 1 197 495 21 GLY CA C 46.042 0.3 1 198 495 21 GLY N N 109.268 0.3 1 199 496 22 GLU H H 8.470 0.03 1 200 496 22 GLU HA H 4.398 0.03 1 201 496 22 GLU HB2 H 1.771 0.03 2 202 496 22 GLU HB3 H 1.980 0.03 2 203 496 22 GLU HG2 H 2.150 0.03 2 204 496 22 GLU HG3 H 2.049 0.03 2 205 496 22 GLU C C 176.946 0.3 1 206 496 22 GLU CA C 57.064 0.3 1 207 496 22 GLU CB C 33.023 0.3 1 208 496 22 GLU CG C 36.205 0.3 1 209 496 22 GLU N N 118.939 0.3 1 210 497 23 LYS H H 9.264 0.03 1 211 497 23 LYS HA H 4.148 0.03 1 212 497 23 LYS HB2 H 1.769 0.03 2 213 497 23 LYS HB3 H 1.942 0.03 2 214 497 23 LYS HG2 H 1.576 0.03 2 215 497 23 LYS HG3 H 1.759 0.03 2 216 497 23 LYS HD2 H 1.733 0.03 2 217 497 23 LYS HD3 H 1.733 0.03 2 218 497 23 LYS HE2 H 2.988 0.03 2 219 497 23 LYS HE3 H 2.988 0.03 2 220 497 23 LYS C C 177.058 0.3 1 221 497 23 LYS CA C 58.140 0.3 1 222 497 23 LYS CB C 33.146 0.3 1 223 497 23 LYS CG C 25.010 0.3 1 224 497 23 LYS CD C 29.871 0.3 1 225 497 23 LYS CE C 42.213 0.3 1 226 497 23 LYS N N 123.135 0.3 1 227 498 24 ILE H H 8.258 0.03 1 228 498 24 ILE HA H 4.166 0.03 1 229 498 24 ILE HB H 1.889 0.03 1 230 498 24 ILE HG12 H 1.582 0.03 2 231 498 24 ILE HG13 H 1.354 0.03 2 232 498 24 ILE HG2 H 0.988 0.03 1 233 498 24 ILE HD1 H 0.866 0.03 1 234 498 24 ILE C C 174.339 0.3 1 235 498 24 ILE CA C 61.913 0.3 1 236 498 24 ILE CB C 38.965 0.3 1 237 498 24 ILE CG1 C 27.936 0.3 1 238 498 24 ILE CG2 C 19.169 0.3 1 239 498 24 ILE CD1 C 12.612 0.3 1 240 498 24 ILE N N 122.405 0.3 1 241 499 25 ALA H H 7.459 0.03 1 242 499 25 ALA HA H 5.281 0.03 1 243 499 25 ALA HB H 1.227 0.03 1 244 499 25 ALA C C 176.444 0.3 1 245 499 25 ALA CA C 50.457 0.3 1 246 499 25 ALA CB C 19.432 0.3 1 247 499 25 ALA N N 121.989 0.3 1 248 500 26 ILE H H 8.613 0.03 1 249 500 26 ILE HA H 4.598 0.03 1 250 500 26 ILE HB H 1.581 0.03 1 251 500 26 ILE HG12 H 1.450 0.03 2 252 500 26 ILE HG13 H 1.253 0.03 2 253 500 26 ILE HG2 H 0.839 0.03 1 254 500 26 ILE HD1 H 0.785 0.03 1 255 500 26 ILE C C 173.694 0.3 1 256 500 26 ILE CA C 58.712 0.3 1 257 500 26 ILE CB C 42.745 0.3 1 258 500 26 ILE CG1 C 27.861 0.3 1 259 500 26 ILE CG2 C 17.728 0.3 1 260 500 26 ILE CD1 C 14.520 0.3 1 261 500 26 ILE N N 121.242 0.3 1 262 501 27 LYS H H 8.781 0.03 1 263 501 27 LYS HA H 4.543 0.03 1 264 501 27 LYS HB2 H 1.370 0.03 2 265 501 27 LYS HB3 H 1.370 0.03 2 266 501 27 LYS HG2 H 1.308 0.03 2 267 501 27 LYS HG3 H 1.088 0.03 2 268 501 27 LYS HD2 H 1.358 0.03 2 269 501 27 LYS HD3 H 1.457 0.03 2 270 501 27 LYS HE2 H 2.739 0.03 2 271 501 27 LYS HE3 H 2.739 0.03 2 272 501 27 LYS C C 175.027 0.3 1 273 501 27 LYS CA C 55.864 0.3 1 274 501 27 LYS CB C 33.613 0.3 1 275 501 27 LYS CG C 24.923 0.3 1 276 501 27 LYS CD C 29.126 0.3 1 277 501 27 LYS CE C 41.821 0.3 1 278 501 27 LYS N N 125.017 0.3 1 279 502 28 LEU H H 8.521 0.03 1 280 502 28 LEU HA H 4.651 0.03 1 281 502 28 LEU HB2 H 0.104 0.03 2 282 502 28 LEU HB3 H 0.798 0.03 2 283 502 28 LEU HG H 1.254 0.03 1 284 502 28 LEU HD1 H 0.366 0.03 2 285 502 28 LEU HD2 H 0.573 0.03 2 286 502 28 LEU C C 174.447 0.3 1 287 502 28 LEU CA C 53.166 0.3 1 288 502 28 LEU CB C 45.950 0.3 1 289 502 28 LEU CG C 26.704 0.3 1 290 502 28 LEU CD1 C 26.637 0.3 2 291 502 28 LEU CD2 C 25.187 0.3 2 292 502 28 LEU N N 124.115 0.3 1 293 503 29 TRP H H 8.906 0.03 1 294 503 29 TRP HA H 5.478 0.03 1 295 503 29 TRP HB2 H 2.820 0.03 2 296 503 29 TRP HB3 H 2.900 0.03 2 297 503 29 TRP HD1 H 6.885 0.03 1 298 503 29 TRP HE1 H 10.322 0.03 1 299 503 29 TRP HE3 H 7.278 0.03 1 300 503 29 TRP HZ2 H 7.450 0.03 1 301 503 29 TRP HZ3 H 6.992 0.03 1 302 503 29 TRP HH2 H 7.177 0.03 1 303 503 29 TRP C C 176.024 0.3 1 304 503 29 TRP CA C 55.164 0.3 1 305 503 29 TRP CB C 32.749 0.3 1 306 503 29 TRP CD1 C 125.676 0.3 1 307 503 29 TRP CE3 C 120.279 0.3 1 308 503 29 TRP CZ2 C 114.509 0.3 1 309 503 29 TRP CZ3 C 121.965 0.3 1 310 503 29 TRP CH2 C 124.375 0.3 1 311 503 29 TRP N N 116.042 0.3 1 312 503 29 TRP NE1 N 128.914 0.3 1 313 504 30 LEU H H 9.606 0.03 1 314 504 30 LEU HA H 4.996 0.03 1 315 504 30 LEU HB2 H 1.562 0.03 2 316 504 30 LEU HB3 H 1.950 0.03 2 317 504 30 LEU HG H 1.425 0.03 1 318 504 30 LEU HD1 H 0.728 0.03 2 319 504 30 LEU HD2 H 0.728 0.03 2 320 504 30 LEU C C 174.915 0.3 1 321 504 30 LEU CA C 54.910 0.3 1 322 504 30 LEU CB C 44.142 0.3 1 323 504 30 LEU CG C 27.880 0.3 1 324 504 30 LEU CD1 C 25.451 0.3 2 325 504 30 LEU CD2 C 25.451 0.3 2 326 504 30 LEU N N 125.245 0.3 1 327 505 31 ARG H H 9.284 0.03 1 328 505 31 ARG HA H 4.948 0.03 1 329 505 31 ARG HB2 H 1.588 0.03 2 330 505 31 ARG HB3 H 1.726 0.03 2 331 505 31 ARG HG2 H 1.352 0.03 2 332 505 31 ARG HG3 H 1.412 0.03 2 333 505 31 ARG HD2 H 2.940 0.03 2 334 505 31 ARG HD3 H 2.940 0.03 2 335 505 31 ARG C C 174.821 0.3 1 336 505 31 ARG CA C 54.814 0.3 1 337 505 31 ARG CB C 32.406 0.3 1 338 505 31 ARG CG C 27.778 0.3 1 339 505 31 ARG CD C 43.082 0.3 1 340 505 31 ARG N N 125.772 0.3 1 341 506 32 ILE H H 8.491 0.03 1 342 506 32 ILE HA H 3.994 0.03 1 343 506 32 ILE HB H 1.995 0.03 1 344 506 32 ILE HG12 H 1.080 0.03 2 345 506 32 ILE HG13 H 0.949 0.03 2 346 506 32 ILE HG2 H 0.597 0.03 1 347 506 32 ILE HD1 H 0.167 0.03 1 348 506 32 ILE C C 175.281 0.3 1 349 506 32 ILE CA C 60.847 0.3 1 350 506 32 ILE CB C 36.316 0.3 1 351 506 32 ILE CG1 C 27.785 0.3 1 352 506 32 ILE CG2 C 18.560 0.3 1 353 506 32 ILE CD1 C 11.488 0.3 1 354 506 32 ILE N N 125.306 0.3 1 355 507 33 GLU H H 8.357 0.03 1 356 507 33 GLU HA H 4.419 0.03 1 357 507 33 GLU HB2 H 1.680 0.03 2 358 507 33 GLU HB3 H 1.882 0.03 2 359 507 33 GLU HG2 H 2.006 0.03 2 360 507 33 GLU HG3 H 2.084 0.03 2 361 507 33 GLU C C 176.684 0.3 1 362 507 33 GLU CA C 57.148 0.3 1 363 507 33 GLU CB C 31.671 0.3 1 364 507 33 GLU CG C 36.479 0.3 1 365 507 33 GLU N N 127.382 0.3 1 366 508 34 ASP H H 7.887 0.03 1 367 508 34 ASP HA H 4.899 0.03 1 368 508 34 ASP HB2 H 2.560 0.03 2 369 508 34 ASP HB3 H 2.739 0.03 2 370 508 34 ASP CA C 53.407 0.3 1 371 508 34 ASP CB C 41.950 0.3 1 372 508 34 ASP N N 117.669 0.3 1 373 509 35 ILE H H 8.538 0.03 1 374 509 35 ILE HA H 3.943 0.03 1 375 509 35 ILE HB H 2.200 0.03 1 376 509 35 ILE HG12 H 1.438 0.03 2 377 509 35 ILE HG13 H 1.398 0.03 2 378 509 35 ILE HG2 H 1.035 0.03 1 379 509 35 ILE HD1 H 0.996 0.03 1 380 509 35 ILE C C 178.055 0.3 1 381 509 35 ILE CA C 63.774 0.3 1 382 509 35 ILE CB C 38.158 0.3 1 383 509 35 ILE CG1 C 26.750 0.3 1 384 509 35 ILE CG2 C 18.999 0.3 1 385 509 35 ILE CD1 C 14.815 0.3 1 386 509 35 ILE N N 120.454 0.3 1 387 510 36 LYS H H 8.229 0.03 1 388 510 36 LYS HA H 4.196 0.03 1 389 510 36 LYS HB2 H 1.884 0.03 2 390 510 36 LYS HB3 H 2.032 0.03 2 391 510 36 LYS HG2 H 1.526 0.03 2 392 510 36 LYS HG3 H 1.575 0.03 2 393 510 36 LYS HD2 H 1.759 0.03 2 394 510 36 LYS HD3 H 1.785 0.03 2 395 510 36 LYS HE2 H 3.045 0.03 2 396 510 36 LYS HE3 H 3.045 0.03 2 397 510 36 LYS C C 178.268 0.3 1 398 510 36 LYS CA C 58.434 0.3 1 399 510 36 LYS CB C 31.556 0.3 1 400 510 36 LYS CG C 25.244 0.3 1 401 510 36 LYS CD C 28.975 0.3 1 402 510 36 LYS CE C 41.720 0.3 1 403 510 36 LYS N N 119.508 0.3 1 404 511 37 LYS H H 7.535 0.03 1 405 511 37 LYS HA H 4.356 0.03 1 406 511 37 LYS HB2 H 1.736 0.03 2 407 511 37 LYS HB3 H 2.034 0.03 2 408 511 37 LYS HG2 H 1.315 0.03 2 409 511 37 LYS HG3 H 1.384 0.03 2 410 511 37 LYS HD2 H 1.503 0.03 2 411 511 37 LYS HD3 H 1.623 0.03 2 412 511 37 LYS HE2 H 2.975 0.03 2 413 511 37 LYS HE3 H 2.975 0.03 2 414 511 37 LYS C C 176.114 0.3 1 415 511 37 LYS CA C 56.046 0.3 1 416 511 37 LYS CB C 33.429 0.3 1 417 511 37 LYS CG C 25.607 0.3 1 418 511 37 LYS CD C 29.106 0.3 1 419 511 37 LYS CE C 42.365 0.3 1 420 511 37 LYS N N 116.115 0.3 1 421 512 38 LEU H H 7.335 0.03 1 422 512 38 LEU HA H 4.726 0.03 1 423 512 38 LEU HB2 H 1.834 0.03 2 424 512 38 LEU HB3 H 2.212 0.03 2 425 512 38 LEU HG H 1.683 0.03 1 426 512 38 LEU HD1 H 0.696 0.03 2 427 512 38 LEU HD2 H 0.852 0.03 2 428 512 38 LEU CA C 53.853 0.3 1 429 512 38 LEU CB C 43.666 0.3 1 430 512 38 LEU CG C 27.470 0.3 1 431 512 38 LEU CD1 C 27.459 0.3 2 432 512 38 LEU CD2 C 23.359 0.3 2 433 512 38 LEU N N 120.630 0.3 1 434 513 39 LYS HA H 4.359 0.03 1 435 513 39 LYS HB2 H 1.730 0.03 2 436 513 39 LYS HB3 H 1.870 0.03 2 437 513 39 LYS HG2 H 1.315 0.03 2 438 513 39 LYS HG3 H 1.365 0.03 2 439 513 39 LYS HD2 H 1.686 0.03 2 440 513 39 LYS HD3 H 1.619 0.03 2 441 513 39 LYS HE2 H 3.032 0.03 2 442 513 39 LYS HE3 H 3.032 0.03 2 443 513 39 LYS C C 179.587 0.3 1 444 513 39 LYS CA C 56.913 0.3 1 445 513 39 LYS CB C 33.483 0.3 1 446 513 39 LYS CG C 25.507 0.3 1 447 513 39 LYS CD C 28.790 0.3 1 448 513 39 LYS CE C 42.458 0.3 1 449 514 40 GLY H H 8.913 0.03 1 450 514 40 GLY HA2 H 3.378 0.03 2 451 514 40 GLY HA3 H 4.116 0.03 2 452 514 40 GLY C C 171.575 0.3 1 453 514 40 GLY CA C 44.730 0.3 1 454 514 40 GLY N N 108.296 0.3 1 455 515 41 LYS H H 7.643 0.03 1 456 515 41 LYS HA H 4.425 0.03 1 457 515 41 LYS HB2 H 1.563 0.03 2 458 515 41 LYS HB3 H 1.639 0.03 2 459 515 41 LYS HG2 H 1.267 0.03 2 460 515 41 LYS HG3 H 1.365 0.03 2 461 515 41 LYS HD2 H 1.623 0.03 2 462 515 41 LYS HD3 H 1.623 0.03 2 463 515 41 LYS HE2 H 2.971 0.03 2 464 515 41 LYS HE3 H 2.971 0.03 2 465 515 41 LYS C C 175.180 0.3 1 466 515 41 LYS CA C 54.960 0.3 1 467 515 41 LYS CB C 32.372 0.3 1 468 515 41 LYS CG C 24.511 0.3 1 469 515 41 LYS CD C 28.992 0.3 1 470 515 41 LYS CE C 42.228 0.3 1 471 515 41 LYS N N 119.531 0.3 1 472 516 42 TYR H H 7.492 0.03 1 473 516 42 TYR HA H 4.764 0.03 1 474 516 42 TYR HB2 H 2.442 0.03 2 475 516 42 TYR HB3 H 3.301 0.03 2 476 516 42 TYR HD1 H 7.032 0.03 3 477 516 42 TYR HD2 H 7.032 0.03 3 478 516 42 TYR HE1 H 6.943 0.03 3 479 516 42 TYR HE2 H 6.943 0.03 3 480 516 42 TYR C C 175.392 0.3 1 481 516 42 TYR CA C 56.416 0.3 1 482 516 42 TYR CB C 41.766 0.3 1 483 516 42 TYR CD1 C 133.600 0.3 3 484 516 42 TYR CD2 C 133.600 0.3 3 485 516 42 TYR CE1 C 117.600 0.3 3 486 516 42 TYR CE2 C 117.600 0.3 3 487 516 42 TYR N N 121.584 0.3 1 488 517 43 LYS H H 8.850 0.03 1 489 517 43 LYS HA H 4.372 0.03 1 490 517 43 LYS HB2 H 1.736 0.03 2 491 517 43 LYS HB3 H 1.866 0.03 2 492 517 43 LYS HG2 H 1.525 0.03 2 493 517 43 LYS HG3 H 1.525 0.03 2 494 517 43 LYS HD2 H 1.730 0.03 2 495 517 43 LYS HD3 H 1.730 0.03 2 496 517 43 LYS HE2 H 3.047 0.03 2 497 517 43 LYS HE3 H 3.047 0.03 2 498 517 43 LYS C C 176.264 0.3 1 499 517 43 LYS CA C 56.096 0.3 1 500 517 43 LYS CB C 33.438 0.3 1 501 517 43 LYS CG C 24.938 0.3 1 502 517 43 LYS CD C 29.377 0.3 1 503 517 43 LYS CE C 42.375 0.3 1 504 517 43 LYS N N 121.527 0.3 1 505 518 44 ASP H H 8.238 0.03 1 506 518 44 ASP HA H 4.331 0.03 1 507 518 44 ASP HB2 H 2.577 0.03 2 508 518 44 ASP HB3 H 2.577 0.03 2 509 518 44 ASP C C 177.001 0.3 1 510 518 44 ASP CA C 55.789 0.3 1 511 518 44 ASP CB C 41.076 0.3 1 512 518 44 ASP N N 120.203 0.3 1 513 519 45 ASN H H 8.676 0.03 1 514 519 45 ASN HA H 4.482 0.03 1 515 519 45 ASN HB2 H 2.804 0.03 2 516 519 45 ASN HB3 H 2.917 0.03 2 517 519 45 ASN HD21 H 7.495 0.03 2 518 519 45 ASN HD22 H 6.799 0.03 2 519 519 45 ASN C C 174.732 0.3 1 520 519 45 ASN CA C 54.180 0.3 1 521 519 45 ASN CB C 38.097 0.3 1 522 519 45 ASN N N 117.358 0.3 1 523 519 45 ASN ND2 N 112.790 0.3 1 524 520 46 GLU H H 7.660 0.03 1 525 520 46 GLU HA H 4.135 0.03 1 526 520 46 GLU HB2 H 1.921 0.03 2 527 520 46 GLU HB3 H 2.271 0.03 2 528 520 46 GLU HG2 H 2.287 0.03 2 529 520 46 GLU HG3 H 2.287 0.03 2 530 520 46 GLU C C 174.645 0.3 1 531 520 46 GLU CA C 57.664 0.3 1 532 520 46 GLU CB C 30.613 0.3 1 533 520 46 GLU CG C 36.293 0.3 1 534 520 46 GLU N N 120.445 0.3 1 535 521 47 ALA H H 8.278 0.03 1 536 521 47 ALA HA H 5.310 0.03 1 537 521 47 ALA HB H 1.055 0.03 1 538 521 47 ALA C C 176.676 0.3 1 539 521 47 ALA CA C 51.002 0.3 1 540 521 47 ALA CB C 21.590 0.3 1 541 521 47 ALA N N 126.341 0.3 1 542 522 48 ILE H H 9.097 0.03 1 543 522 48 ILE HA H 4.360 0.03 1 544 522 48 ILE HB H 1.803 0.03 1 545 522 48 ILE HG12 H 1.038 0.03 2 546 522 48 ILE HG13 H 1.497 0.03 2 547 522 48 ILE HG2 H 0.744 0.03 1 548 522 48 ILE HD1 H 0.786 0.03 1 549 522 48 ILE C C 174.886 0.3 1 550 522 48 ILE CA C 60.827 0.3 1 551 522 48 ILE CB C 41.311 0.3 1 552 522 48 ILE CG1 C 27.905 0.3 1 553 522 48 ILE CG2 C 17.644 0.3 1 554 522 48 ILE CD1 C 14.376 0.3 1 555 522 48 ILE N N 123.805 0.3 1 556 523 49 GLU H H 8.698 0.03 1 557 523 49 GLU HA H 5.001 0.03 1 558 523 49 GLU HB2 H 1.503 0.03 2 559 523 49 GLU HB3 H 1.741 0.03 2 560 523 49 GLU HG2 H 1.557 0.03 2 561 523 49 GLU HG3 H 1.750 0.03 2 562 523 49 GLU C C 175.795 0.3 1 563 523 49 GLU CA C 55.316 0.3 1 564 523 49 GLU CB C 31.316 0.3 1 565 523 49 GLU CG C 36.687 0.3 1 566 523 49 GLU N N 130.049 0.3 1 567 524 50 PHE H H 8.980 0.03 1 568 524 50 PHE HA H 4.940 0.03 1 569 524 50 PHE HB2 H 3.064 0.03 2 570 524 50 PHE HB3 H 3.064 0.03 2 571 524 50 PHE HD1 H 7.161 0.03 3 572 524 50 PHE HD2 H 7.161 0.03 3 573 524 50 PHE HE1 H 6.999 0.03 3 574 524 50 PHE HE2 H 6.999 0.03 3 575 524 50 PHE HZ H 6.870 0.03 1 576 524 50 PHE C C 171.883 0.3 1 577 524 50 PHE CA C 56.061 0.3 1 578 524 50 PHE CB C 40.353 0.3 1 579 524 50 PHE CD1 C 133.205 0.3 3 580 524 50 PHE CD2 C 133.205 0.3 3 581 524 50 PHE CE1 C 129.790 0.3 3 582 524 50 PHE CE2 C 129.790 0.3 3 583 524 50 PHE CZ C 128.600 0.3 1 584 524 50 PHE N N 122.831 0.3 1 585 525 51 SER H H 8.405 0.03 1 586 525 51 SER HA H 5.032 0.03 1 587 525 51 SER HB2 H 3.583 0.03 2 588 525 51 SER HB3 H 3.606 0.03 2 589 525 51 SER C C 173.212 0.3 1 590 525 51 SER CA C 57.129 0.3 1 591 525 51 SER CB C 64.909 0.3 1 592 525 51 SER N N 114.940 0.3 1 593 526 52 PHE H H 8.891 0.03 1 594 526 52 PHE HA H 4.670 0.03 1 595 526 52 PHE HB2 H 2.530 0.03 2 596 526 52 PHE HB3 H 3.013 0.03 2 597 526 52 PHE HD1 H 6.984 0.03 3 598 526 52 PHE HD2 H 6.984 0.03 3 599 526 52 PHE HE1 H 7.087 0.03 3 600 526 52 PHE HE2 H 7.087 0.03 3 601 526 52 PHE HZ H 6.921 0.03 1 602 526 52 PHE C C 173.174 0.3 1 603 526 52 PHE CA C 57.449 0.3 1 604 526 52 PHE CB C 44.480 0.3 1 605 526 52 PHE CD1 C 131.131 0.3 3 606 526 52 PHE CD2 C 131.131 0.3 3 607 526 52 PHE CE1 C 131.489 0.3 3 608 526 52 PHE CE2 C 131.489 0.3 3 609 526 52 PHE CZ C 128.979 0.3 1 610 526 52 PHE N N 126.272 0.3 1 611 527 53 ASP H H 9.780 0.03 1 612 527 53 ASP HA H 4.843 0.03 1 613 527 53 ASP HB2 H 2.211 0.03 2 614 527 53 ASP HB3 H 2.501 0.03 2 615 527 53 ASP C C 176.107 0.3 1 616 527 53 ASP CA C 53.350 0.3 1 617 527 53 ASP CB C 42.310 0.3 1 618 527 53 ASP N N 131.000 0.3 1 619 528 54 LEU H H 9.191 0.03 1 620 528 54 LEU HA H 4.165 0.03 1 621 528 54 LEU HB2 H 1.582 0.03 2 622 528 54 LEU HB3 H 2.050 0.03 2 623 528 54 LEU HG H 2.110 0.03 1 624 528 54 LEU HD1 H 0.959 0.03 2 625 528 54 LEU HD2 H 0.968 0.03 2 626 528 54 LEU C C 178.067 0.3 1 627 528 54 LEU CA C 57.785 0.3 1 628 528 54 LEU CB C 42.944 0.3 1 629 528 54 LEU CG C 27.480 0.3 1 630 528 54 LEU CD1 C 25.950 0.3 2 631 528 54 LEU CD2 C 23.815 0.3 2 632 528 54 LEU N N 125.945 0.3 1 633 529 55 GLU H H 8.499 0.03 1 634 529 55 GLU HA H 4.454 0.03 1 635 529 55 GLU HB2 H 2.060 0.03 2 636 529 55 GLU HB3 H 2.060 0.03 2 637 529 55 GLU HG2 H 2.186 0.03 2 638 529 55 GLU HG3 H 2.293 0.03 2 639 529 55 GLU C C 177.962 0.3 1 640 529 55 GLU CA C 57.537 0.3 1 641 529 55 GLU CB C 31.135 0.3 1 642 529 55 GLU CG C 36.660 0.3 1 643 529 55 GLU N N 116.906 0.3 1 644 530 56 ARG H H 8.084 0.03 1 645 530 56 ARG HA H 4.393 0.03 1 646 530 56 ARG HB2 H 1.412 0.03 2 647 530 56 ARG HB3 H 1.710 0.03 2 648 530 56 ARG HG2 H 1.479 0.03 2 649 530 56 ARG HG3 H 1.539 0.03 2 650 530 56 ARG HD2 H 3.126 0.03 2 651 530 56 ARG HD3 H 3.126 0.03 2 652 530 56 ARG C C 177.099 0.3 1 653 530 56 ARG CA C 57.184 0.3 1 654 530 56 ARG CB C 33.800 0.3 1 655 530 56 ARG CG C 27.655 0.3 1 656 530 56 ARG CD C 43.219 0.3 1 657 530 56 ARG N N 117.670 0.3 1 658 531 57 ASP H H 8.297 0.03 1 659 531 57 ASP HA H 4.744 0.03 1 660 531 57 ASP HB2 H 1.417 0.03 2 661 531 57 ASP HB3 H 1.454 0.03 2 662 531 57 ASP C C 176.025 0.3 1 663 531 57 ASP CA C 55.595 0.3 1 664 531 57 ASP CB C 40.882 0.3 1 665 531 57 ASP N N 118.482 0.3 1 666 532 58 VAL H H 8.494 0.03 1 667 532 58 VAL HA H 4.801 0.03 1 668 532 58 VAL HB H 2.250 0.03 1 669 532 58 VAL HG1 H 1.202 0.03 2 670 532 58 VAL HG2 H 1.056 0.03 2 671 532 58 VAL CA C 59.040 0.3 1 672 532 58 VAL CB C 35.440 0.3 1 673 532 58 VAL CG1 C 21.313 0.3 2 674 532 58 VAL CG2 C 21.160 0.3 2 675 532 58 VAL N N 119.854 0.3 1 676 533 59 PRO HA H 4.190 0.03 1 677 533 59 PRO HB2 H 2.067 0.03 2 678 533 59 PRO HB3 H 2.440 0.03 2 679 533 59 PRO HG2 H 1.838 0.03 2 680 533 59 PRO HG3 H 2.260 0.03 2 681 533 59 PRO HD2 H 4.117 0.03 2 682 533 59 PRO HD3 H 4.369 0.03 2 683 533 59 PRO C C 176.835 0.3 1 684 533 59 PRO CA C 67.517 0.3 1 685 533 59 PRO CB C 32.821 0.3 1 686 533 59 PRO CG C 28.300 0.3 1 687 533 59 PRO CD C 51.627 0.3 1 688 534 60 GLU H H 10.147 0.03 1 689 534 60 GLU HA H 3.805 0.03 1 690 534 60 GLU HB2 H 2.126 0.03 2 691 534 60 GLU HB3 H 2.205 0.03 2 692 534 60 GLU HG2 H 2.160 0.03 2 693 534 60 GLU HG3 H 2.744 0.03 2 694 534 60 GLU C C 178.670 0.3 1 695 534 60 GLU CA C 62.016 0.3 1 696 534 60 GLU CB C 29.080 0.3 1 697 534 60 GLU CG C 38.271 0.3 1 698 534 60 GLU N N 116.467 0.3 1 699 535 61 ASP H H 7.277 0.03 1 700 535 61 ASP HA H 4.660 0.03 1 701 535 61 ASP HB2 H 2.849 0.03 2 702 535 61 ASP HB3 H 2.996 0.03 2 703 535 61 ASP C C 178.707 0.3 1 704 535 61 ASP CA C 57.227 0.3 1 705 535 61 ASP CB C 39.990 0.3 1 706 535 61 ASP N N 121.692 0.3 1 707 536 62 VAL H H 8.117 0.03 1 708 536 62 VAL HA H 3.856 0.03 1 709 536 62 VAL HB H 2.156 0.03 1 710 536 62 VAL HG1 H 0.990 0.03 2 711 536 62 VAL HG2 H 1.155 0.03 2 712 536 62 VAL C C 178.896 0.3 1 713 536 62 VAL CA C 66.443 0.3 1 714 536 62 VAL CB C 32.327 0.3 1 715 536 62 VAL CG1 C 22.100 0.3 2 716 536 62 VAL CG2 C 22.990 0.3 2 717 536 62 VAL N N 123.820 0.3 1 718 537 63 ALA H H 8.333 0.03 1 719 537 63 ALA HA H 4.042 0.03 1 720 537 63 ALA HB H 1.140 0.03 1 721 537 63 ALA C C 179.122 0.3 1 722 537 63 ALA CA C 54.910 0.3 1 723 537 63 ALA CB C 18.093 0.3 1 724 537 63 ALA N N 119.709 0.3 1 725 538 64 GLN H H 7.966 0.03 1 726 538 64 GLN HA H 4.037 0.03 1 727 538 64 GLN HB2 H 2.341 0.03 2 728 538 64 GLN HB3 H 2.340 0.03 2 729 538 64 GLN HG2 H 2.344 0.03 2 730 538 64 GLN HG3 H 2.460 0.03 2 731 538 64 GLN HE21 H 7.691 0.03 2 732 538 64 GLN HE22 H 6.570 0.03 2 733 538 64 GLN C C 178.273 0.3 1 734 538 64 GLN CA C 58.687 0.3 1 735 538 64 GLN CB C 27.574 0.3 1 736 538 64 GLN CG C 32.750 0.3 1 737 538 64 GLN N N 118.802 0.3 1 738 538 64 GLN NE2 N 111.196 0.3 1 739 539 65 GLU H H 8.114 0.03 1 740 539 65 GLU HA H 4.138 0.03 1 741 539 65 GLU HB2 H 2.260 0.03 2 742 539 65 GLU HB3 H 2.260 0.03 2 743 539 65 GLU HG2 H 2.329 0.03 2 744 539 65 GLU HG3 H 2.486 0.03 2 745 539 65 GLU C C 179.756 0.3 1 746 539 65 GLU CA C 59.846 0.3 1 747 539 65 GLU CB C 28.880 0.3 1 748 539 65 GLU CG C 36.352 0.3 1 749 539 65 GLU N N 121.703 0.3 1 750 540 66 MET H H 7.640 0.03 1 751 540 66 MET HA H 4.164 0.03 1 752 540 66 MET HB2 H 2.352 0.03 2 753 540 66 MET HB3 H 1.937 0.03 2 754 540 66 MET HG2 H 2.438 0.03 2 755 540 66 MET HG3 H 2.803 0.03 2 756 540 66 MET HE H 1.155 0.03 1 757 540 66 MET C C 178.813 0.3 1 758 540 66 MET CA C 59.846 0.3 1 759 540 66 MET CB C 33.148 0.3 1 760 540 66 MET CG C 33.628 0.3 1 761 540 66 MET CE C 17.861 0.3 1 762 540 66 MET N N 118.169 0.3 1 763 541 67 VAL H H 7.758 0.03 1 764 541 67 VAL HA H 4.505 0.03 1 765 541 67 VAL HB H 2.487 0.03 1 766 541 67 VAL HG1 H 0.965 0.03 2 767 541 67 VAL HG2 H 0.984 0.03 2 768 541 67 VAL C C 181.030 0.3 1 769 541 67 VAL CA C 64.571 0.3 1 770 541 67 VAL CB C 31.753 0.3 1 771 541 67 VAL CG1 C 21.110 0.3 2 772 541 67 VAL CG2 C 21.160 0.3 2 773 541 67 VAL N N 122.346 0.3 1 774 542 68 GLU H H 8.640 0.03 1 775 542 68 GLU HA H 4.021 0.03 1 776 542 68 GLU HB2 H 2.150 0.03 2 777 542 68 GLU HB3 H 2.150 0.03 2 778 542 68 GLU HG2 H 2.505 0.03 2 779 542 68 GLU HG3 H 2.400 0.03 2 780 542 68 GLU C C 179.129 0.3 1 781 542 68 GLU CA C 59.408 0.3 1 782 542 68 GLU CB C 29.327 0.3 1 783 542 68 GLU CG C 36.521 0.3 1 784 542 68 GLU N N 122.339 0.3 1 785 543 69 SER H H 8.107 0.03 1 786 543 69 SER HA H 4.351 0.03 1 787 543 69 SER HB2 H 3.729 0.03 2 788 543 69 SER HB3 H 3.729 0.03 2 789 543 69 SER C C 174.388 0.3 1 790 543 69 SER CA C 59.692 0.3 1 791 543 69 SER CB C 64.238 0.3 1 792 543 69 SER N N 112.216 0.3 1 793 544 70 GLY H H 7.777 0.03 1 794 544 70 GLY HA2 H 3.843 0.03 2 795 544 70 GLY HA3 H 4.142 0.03 2 796 544 70 GLY C C 174.651 0.3 1 797 544 70 GLY CA C 45.504 0.3 1 798 544 70 GLY N N 107.923 0.3 1 799 545 71 TYR H H 7.877 0.03 1 800 545 71 TYR HA H 4.670 0.03 1 801 545 71 TYR HB2 H 2.904 0.03 2 802 545 71 TYR HB3 H 3.250 0.03 2 803 545 71 TYR HD1 H 7.133 0.03 3 804 545 71 TYR HD2 H 7.133 0.03 3 805 545 71 TYR HE1 H 6.970 0.03 3 806 545 71 TYR HE2 H 6.970 0.03 3 807 545 71 TYR C C 175.883 0.3 1 808 545 71 TYR CA C 58.690 0.3 1 809 545 71 TYR CB C 39.517 0.3 1 810 545 71 TYR CD1 C 132.100 0.3 3 811 545 71 TYR CD2 C 132.100 0.3 3 812 545 71 TYR CE1 C 118.600 0.3 3 813 545 71 TYR CE2 C 118.600 0.3 3 814 545 71 TYR N N 118.374 0.3 1 815 546 72 VAL H H 7.059 0.03 1 816 546 72 VAL HA H 4.640 0.03 1 817 546 72 VAL HB H 1.688 0.03 1 818 546 72 VAL HG1 H 0.973 0.03 2 819 546 72 VAL HG2 H 0.829 0.03 2 820 546 72 VAL C C 174.492 0.3 1 821 546 72 VAL CA C 59.648 0.3 1 822 546 72 VAL CB C 36.162 0.3 1 823 546 72 VAL CG1 C 22.083 0.3 2 824 546 72 VAL CG2 C 22.998 0.3 2 825 546 72 VAL N N 113.135 0.3 1 826 547 73 CYS H H 8.028 0.03 1 827 547 73 CYS HA H 4.439 0.03 1 828 547 73 CYS HB2 H 2.857 0.03 2 829 547 73 CYS HB3 H 3.159 0.03 2 830 547 73 CYS C C 176.382 0.3 1 831 547 73 CYS CA C 58.286 0.3 1 832 547 73 CYS CB C 28.443 0.3 1 833 547 73 CYS N N 123.872 0.3 1 834 548 74 GLU H H 9.475 0.03 1 835 548 74 GLU HA H 4.051 0.03 1 836 548 74 GLU HB2 H 2.092 0.03 2 837 548 74 GLU HB3 H 2.211 0.03 2 838 548 74 GLU HG2 H 2.332 0.03 2 839 548 74 GLU HG3 H 2.332 0.03 2 840 548 74 GLU C C 178.818 0.3 1 841 548 74 GLU CA C 60.430 0.3 1 842 548 74 GLU CB C 29.032 0.3 1 843 548 74 GLU CG C 35.572 0.3 1 844 548 74 GLU N N 129.052 0.3 1 845 549 75 GLY H H 8.419 0.03 1 846 549 75 GLY HA2 H 3.772 0.03 2 847 549 75 GLY HA3 H 4.090 0.03 2 848 549 75 GLY C C 174.330 0.3 1 849 549 75 GLY CA C 46.255 0.3 1 850 549 75 GLY N N 108.165 0.3 1 851 550 76 ASP H H 8.149 0.03 1 852 550 76 ASP HA H 5.210 0.03 1 853 550 76 ASP HB2 H 2.699 0.03 2 854 550 76 ASP HB3 H 3.059 0.03 2 855 550 76 ASP C C 175.922 0.3 1 856 550 76 ASP CA C 54.435 0.3 1 857 550 76 ASP CB C 43.357 0.3 1 858 550 76 ASP N N 117.829 0.3 1 859 551 77 HIS H H 7.847 0.03 1 860 551 77 HIS HA H 3.610 0.03 1 861 551 77 HIS HB2 H 3.258 0.03 2 862 551 77 HIS HB3 H 3.292 0.03 2 863 551 77 HIS HD2 H 6.540 0.03 1 864 551 77 HIS HE1 H 7.640 0.03 1 865 551 77 HIS C C 176.145 0.3 1 866 551 77 HIS CA C 62.860 0.3 1 867 551 77 HIS CB C 32.325 0.3 1 868 551 77 HIS CD2 C 116.700 0.3 1 869 551 77 HIS CE1 C 137.600 0.3 1 870 551 77 HIS N N 122.010 0.3 1 871 552 78 LYS H H 8.534 0.03 1 872 552 78 LYS HA H 3.757 0.03 1 873 552 78 LYS HB2 H 1.857 0.03 2 874 552 78 LYS HB3 H 1.973 0.03 2 875 552 78 LYS HG2 H 1.494 0.03 2 876 552 78 LYS HG3 H 1.634 0.03 2 877 552 78 LYS HD2 H 1.766 0.03 2 878 552 78 LYS HD3 H 1.766 0.03 2 879 552 78 LYS HE2 H 3.072 0.03 2 880 552 78 LYS HE3 H 3.072 0.03 2 881 552 78 LYS C C 179.740 0.3 1 882 552 78 LYS CA C 59.866 0.3 1 883 552 78 LYS CB C 31.717 0.3 1 884 552 78 LYS CG C 25.678 0.3 1 885 552 78 LYS CD C 29.177 0.3 1 886 552 78 LYS CE C 42.188 0.3 1 887 552 78 LYS N N 117.637 0.3 1 888 553 79 THR H H 7.760 0.03 1 889 553 79 THR HA H 3.866 0.03 1 890 553 79 THR HB H 4.212 0.03 1 891 553 79 THR HG2 H 1.230 0.03 1 892 553 79 THR C C 176.637 0.3 1 893 553 79 THR CA C 66.322 0.3 1 894 553 79 THR CB C 68.731 0.3 1 895 553 79 THR CG2 C 22.618 0.3 1 896 553 79 THR N N 118.460 0.3 1 897 554 80 MET H H 8.146 0.03 1 898 554 80 MET HA H 3.938 0.03 1 899 554 80 MET HB2 H 1.730 0.03 2 900 554 80 MET HB3 H 2.000 0.03 2 901 554 80 MET HG2 H 2.499 0.03 2 902 554 80 MET HG3 H 2.818 0.03 2 903 554 80 MET HE H 1.810 0.03 1 904 554 80 MET C C 177.604 0.3 1 905 554 80 MET CA C 58.137 0.3 1 906 554 80 MET CB C 30.452 0.3 1 907 554 80 MET CG C 33.859 0.3 1 908 554 80 MET CE C 18.560 0.3 1 909 554 80 MET N N 119.860 0.3 1 910 555 81 ALA H H 8.527 0.03 1 911 555 81 ALA HA H 3.561 0.03 1 912 555 81 ALA HB H 1.080 0.03 1 913 555 81 ALA C C 178.903 0.3 1 914 555 81 ALA CA C 55.535 0.3 1 915 555 81 ALA CB C 18.190 0.3 1 916 555 81 ALA N N 119.903 0.3 1 917 556 82 LYS H H 7.794 0.03 1 918 556 82 LYS HA H 3.925 0.03 1 919 556 82 LYS HB2 H 1.945 0.03 2 920 556 82 LYS HB3 H 1.945 0.03 2 921 556 82 LYS HG2 H 1.450 0.03 2 922 556 82 LYS HG3 H 1.450 0.03 2 923 556 82 LYS HD2 H 1.629 0.03 2 924 556 82 LYS HD3 H 1.773 0.03 2 925 556 82 LYS HE2 H 3.032 0.03 2 926 556 82 LYS HE3 H 3.032 0.03 2 927 556 82 LYS C C 177.406 0.3 1 928 556 82 LYS CA C 59.376 0.3 1 929 556 82 LYS CB C 32.396 0.3 1 930 556 82 LYS CG C 25.453 0.3 1 931 556 82 LYS CD C 29.036 0.3 1 932 556 82 LYS CE C 42.552 0.3 1 933 556 82 LYS N N 118.097 0.3 1 934 557 83 ALA H H 7.558 0.03 1 935 557 83 ALA HA H 4.213 0.03 1 936 557 83 ALA HB H 1.400 0.03 1 937 557 83 ALA C C 181.424 0.3 1 938 557 83 ALA CA C 55.100 0.3 1 939 557 83 ALA CB C 18.570 0.3 1 940 557 83 ALA N N 120.834 0.3 1 941 558 84 ILE H H 8.121 0.03 1 942 558 84 ILE HA H 3.447 0.03 1 943 558 84 ILE HB H 1.837 0.03 1 944 558 84 ILE HG12 H 2.020 0.03 2 945 558 84 ILE HG13 H 0.840 0.03 2 946 558 84 ILE HG2 H 0.712 0.03 1 947 558 84 ILE HD1 H 0.528 0.03 1 948 558 84 ILE C C 176.563 0.3 1 949 558 84 ILE CA C 66.478 0.3 1 950 558 84 ILE CB C 39.350 0.3 1 951 558 84 ILE CG1 C 29.292 0.3 1 952 558 84 ILE CG2 C 17.901 0.3 1 953 558 84 ILE CD1 C 13.826 0.3 1 954 558 84 ILE N N 118.026 0.3 1 955 559 85 LYS H H 8.559 0.03 1 956 559 85 LYS HA H 3.627 0.03 1 957 559 85 LYS HB2 H 1.810 0.03 2 958 559 85 LYS HB3 H 2.090 0.03 2 959 559 85 LYS HG2 H 1.467 0.03 2 960 559 85 LYS HG3 H 1.554 0.03 2 961 559 85 LYS HD2 H 1.753 0.03 2 962 559 85 LYS HD3 H 1.753 0.03 2 963 559 85 LYS HE2 H 2.961 0.03 2 964 559 85 LYS HE3 H 2.960 0.03 2 965 559 85 LYS C C 179.006 0.3 1 966 559 85 LYS CA C 60.427 0.3 1 967 559 85 LYS CB C 32.856 0.3 1 968 559 85 LYS CG C 25.210 0.3 1 969 559 85 LYS CD C 29.754 0.3 1 970 559 85 LYS CE C 42.077 0.3 1 971 559 85 LYS N N 120.964 0.3 1 972 560 86 ASP H H 8.922 0.03 1 973 560 86 ASP HA H 4.376 0.03 1 974 560 86 ASP HB2 H 2.699 0.03 2 975 560 86 ASP HB3 H 2.730 0.03 2 976 560 86 ASP C C 178.759 0.3 1 977 560 86 ASP CA C 57.529 0.3 1 978 560 86 ASP CB C 40.195 0.3 1 979 560 86 ASP N N 119.764 0.3 1 980 561 87 ARG H H 7.321 0.03 1 981 561 87 ARG HA H 4.328 0.03 1 982 561 87 ARG HB2 H 1.770 0.03 2 983 561 87 ARG HB3 H 2.071 0.03 2 984 561 87 ARG HG2 H 1.371 0.03 2 985 561 87 ARG HG3 H 1.547 0.03 2 986 561 87 ARG HD2 H 3.202 0.03 2 987 561 87 ARG HD3 H 3.522 0.03 2 988 561 87 ARG C C 178.620 0.3 1 989 561 87 ARG CA C 57.072 0.3 1 990 561 87 ARG CB C 28.406 0.3 1 991 561 87 ARG CG C 25.919 0.3 1 992 561 87 ARG CD C 41.145 0.3 1 993 561 87 ARG N N 118.799 0.3 1 994 562 88 VAL H H 8.625 0.03 1 995 562 88 VAL HA H 3.447 0.03 1 996 562 88 VAL HB H 1.853 0.03 1 997 562 88 VAL HG1 H 0.584 0.03 2 998 562 88 VAL HG2 H 0.236 0.03 2 999 562 88 VAL C C 178.005 0.3 1 1000 562 88 VAL CA C 66.822 0.3 1 1001 562 88 VAL CB C 31.200 0.3 1 1002 562 88 VAL CG1 C 21.425 0.3 2 1003 562 88 VAL CG2 C 21.415 0.3 2 1004 562 88 VAL N N 118.438 0.3 1 1005 563 89 SER H H 8.478 0.03 1 1006 563 89 SER HA H 4.192 0.03 1 1007 563 89 SER HB2 H 4.014 0.03 2 1008 563 89 SER HB3 H 4.055 0.03 2 1009 563 89 SER C C 176.698 0.3 1 1010 563 89 SER CA C 62.100 0.3 1 1011 563 89 SER CB C 62.840 0.3 1 1012 563 89 SER N N 115.759 0.3 1 1013 564 90 LEU H H 7.219 0.03 1 1014 564 90 LEU HA H 4.140 0.03 1 1015 564 90 LEU HB2 H 1.707 0.03 2 1016 564 90 LEU HB3 H 1.964 0.03 2 1017 564 90 LEU HG H 1.860 0.03 1 1018 564 90 LEU HD1 H 0.970 0.03 2 1019 564 90 LEU HD2 H 0.925 0.03 2 1020 564 90 LEU C C 179.500 0.3 1 1021 564 90 LEU CA C 58.091 0.3 1 1022 564 90 LEU CB C 42.271 0.3 1 1023 564 90 LEU CG C 27.000 0.3 1 1024 564 90 LEU CD1 C 25.200 0.3 2 1025 564 90 LEU CD2 C 23.801 0.3 2 1026 564 90 LEU N N 121.938 0.3 1 1027 565 91 ILE H H 7.782 0.03 1 1028 565 91 ILE HA H 3.674 0.03 1 1029 565 91 ILE HB H 1.955 0.03 1 1030 565 91 ILE HG12 H 1.820 0.03 2 1031 565 91 ILE HG13 H 1.110 0.03 2 1032 565 91 ILE HG2 H 0.909 0.03 1 1033 565 91 ILE HD1 H 0.737 0.03 1 1034 565 91 ILE C C 178.844 0.3 1 1035 565 91 ILE CA C 65.397 0.3 1 1036 565 91 ILE CB C 38.600 0.3 1 1037 565 91 ILE CG1 C 28.626 0.3 1 1038 565 91 ILE CG2 C 17.289 0.3 1 1039 565 91 ILE CD1 C 15.033 0.3 1 1040 565 91 ILE N N 120.918 0.3 1 1041 566 92 LYS H H 8.417 0.03 1 1042 566 92 LYS HA H 3.869 0.03 1 1043 566 92 LYS HB2 H 1.865 0.03 2 1044 566 92 LYS HB3 H 1.976 0.03 2 1045 566 92 LYS HG2 H 1.437 0.03 2 1046 566 92 LYS HG3 H 1.764 0.03 2 1047 566 92 LYS HD2 H 1.746 0.03 2 1048 566 92 LYS HD3 H 1.746 0.03 2 1049 566 92 LYS HE2 H 2.965 0.03 2 1050 566 92 LYS HE3 H 3.102 0.03 2 1051 566 92 LYS C C 179.278 0.3 1 1052 566 92 LYS CA C 60.537 0.3 1 1053 566 92 LYS CB C 32.442 0.3 1 1054 566 92 LYS CG C 26.956 0.3 1 1055 566 92 LYS CD C 29.661 0.3 1 1056 566 92 LYS CE C 42.167 0.3 1 1057 566 92 LYS N N 118.876 0.3 1 1058 567 93 ARG H H 8.175 0.03 1 1059 567 93 ARG HA H 4.155 0.03 1 1060 567 93 ARG HB2 H 1.937 0.03 2 1061 567 93 ARG HB3 H 2.015 0.03 2 1062 567 93 ARG HG2 H 1.769 0.03 2 1063 567 93 ARG HG3 H 1.769 0.03 2 1064 567 93 ARG HD2 H 3.228 0.03 2 1065 567 93 ARG HD3 H 3.228 0.03 2 1066 567 93 ARG C C 178.794 0.3 1 1067 567 93 ARG CA C 58.837 0.3 1 1068 567 93 ARG CB C 30.525 0.3 1 1069 567 93 ARG CG C 27.459 0.3 1 1070 567 93 ARG CD C 43.501 0.3 1 1071 567 93 ARG N N 119.481 0.3 1 1072 568 94 LYS H H 7.686 0.03 1 1073 568 94 LYS HA H 4.158 0.03 1 1074 568 94 LYS HB2 H 1.980 0.03 2 1075 568 94 LYS HB3 H 1.980 0.03 2 1076 568 94 LYS HG2 H 1.530 0.03 2 1077 568 94 LYS HG3 H 1.633 0.03 2 1078 568 94 LYS HD2 H 1.737 0.03 2 1079 568 94 LYS HD3 H 1.737 0.03 2 1080 568 94 LYS HE2 H 3.015 0.03 2 1081 568 94 LYS HE3 H 3.015 0.03 2 1082 568 94 LYS C C 178.668 0.3 1 1083 568 94 LYS CA C 58.645 0.3 1 1084 568 94 LYS CB C 32.412 0.3 1 1085 568 94 LYS CG C 25.260 0.3 1 1086 568 94 LYS CD C 29.380 0.3 1 1087 568 94 LYS CE C 42.300 0.3 1 1088 568 94 LYS N N 118.610 0.3 1 1089 569 95 ARG H H 7.605 0.03 1 1090 569 95 ARG HA H 4.271 0.03 1 1091 569 95 ARG HB2 H 1.968 0.03 2 1092 569 95 ARG HB3 H 2.023 0.03 2 1093 569 95 ARG HG2 H 1.695 0.03 2 1094 569 95 ARG HG3 H 1.941 0.03 2 1095 569 95 ARG HD2 H 2.959 0.03 2 1096 569 95 ARG HD3 H 3.124 0.03 2 1097 569 95 ARG C C 177.412 0.3 1 1098 569 95 ARG CA C 57.605 0.3 1 1099 569 95 ARG CB C 30.747 0.3 1 1100 569 95 ARG CG C 27.618 0.3 1 1101 569 95 ARG CD C 43.821 0.3 1 1102 569 95 ARG N N 117.098 0.3 1 1103 570 96 GLU H H 7.683 0.03 1 1104 570 96 GLU HA H 4.240 0.03 1 1105 570 96 GLU HB2 H 2.127 0.03 2 1106 570 96 GLU HB3 H 2.127 0.03 2 1107 570 96 GLU HG2 H 2.470 0.03 2 1108 570 96 GLU HG3 H 2.306 0.03 2 1109 570 96 GLU C C 176.745 0.3 1 1110 570 96 GLU CA C 57.320 0.3 1 1111 570 96 GLU CB C 30.578 0.3 1 1112 570 96 GLU CG C 36.632 0.3 1 1113 570 96 GLU N N 118.648 0.3 1 1114 571 97 GLN H H 7.884 0.03 1 1115 571 97 GLN HA H 4.352 0.03 1 1116 571 97 GLN HB2 H 2.067 0.03 2 1117 571 97 GLN HB3 H 2.200 0.03 2 1118 571 97 GLN HG2 H 2.464 0.03 2 1119 571 97 GLN HG3 H 2.417 0.03 2 1120 571 97 GLN C C 174.941 0.3 1 1121 571 97 GLN CA C 56.049 0.3 1 1122 571 97 GLN CB C 28.993 0.3 1 1123 571 97 GLN CG C 34.021 0.3 1 1124 571 97 GLN N N 119.931 0.3 1 1125 572 98 ARG H H 7.772 0.03 1 1126 572 98 ARG HA H 4.210 0.03 1 1127 572 98 ARG HB2 H 1.740 0.03 2 1128 572 98 ARG HB3 H 1.883 0.03 2 1129 572 98 ARG HG2 H 1.636 0.03 2 1130 572 98 ARG HG3 H 1.636 0.03 2 1131 572 98 ARG HD2 H 3.228 0.03 2 1132 572 98 ARG HD3 H 3.228 0.03 2 1133 572 98 ARG CA C 57.722 0.3 1 1134 572 98 ARG CB C 31.748 0.3 1 1135 572 98 ARG CG C 27.329 0.3 1 1136 572 98 ARG CD C 43.501 0.3 1 1137 572 98 ARG N N 127.416 0.3 1 stop_ save_