data_15938 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; p190-A RhoGAP FF1 domain ; _BMRB_accession_number 15938 _BMRB_flat_file_name bmr15938.str _Entry_type original _Submission_date 2008-09-02 _Accession_date 2008-09-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'p190-A RhoGAP FF1 domain from homo sapiens.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bonet Roman . . 2 Ruiz Lidia . . 3 Martin-Malpartida Pau . . 4 Macias Maria . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 416 "13C chemical shifts" 233 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-05-26 update BMRB 'complete entry citation' 2009-04-30 update BMRB 'updated entry citation' 2009-04-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structural studies on human p190-A RhoGAPFF1 revealed that domain phosphorylation by the PDGF-receptor alpha requires its previous unfolding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19393245 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bonet Roman . . 2 Ruiz Lidia . . 3 Aragon E. . . 4 Martin-Malpartida Pau . . 5 Macias Maria J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 389 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 230 _Page_last 237 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p190-A RhoGAPFF1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p190-A_RhoGAP_FF1_domain $p190-A_RhoGAP_FF1_domain 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_p190-A_RhoGAP_FF1_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p190-A_RhoGAP_FF1_domain _Molecular_mass 7857.032 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GAMGSQQIATAKDKYEWLVS RIVKNHNENWLSVSRKMQAS PEYQDYVYLEGTQKAKKLFL QHIHRLKHE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 SER 6 GLN 7 GLN 8 ILE 9 ALA 10 THR 11 ALA 12 LYS 13 ASP 14 LYS 15 TYR 16 GLU 17 TRP 18 LEU 19 VAL 20 SER 21 ARG 22 ILE 23 VAL 24 LYS 25 ASN 26 HIS 27 ASN 28 GLU 29 ASN 30 TRP 31 LEU 32 SER 33 VAL 34 SER 35 ARG 36 LYS 37 MET 38 GLN 39 ALA 40 SER 41 PRO 42 GLU 43 TYR 44 GLN 45 ASP 46 TYR 47 VAL 48 TYR 49 LEU 50 GLU 51 GLY 52 THR 53 GLN 54 LYS 55 ALA 56 LYS 57 LYS 58 LEU 59 PHE 60 LEU 61 GLN 62 HIS 63 ILE 64 HIS 65 ARG 66 LEU 67 LYS 68 HIS 69 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2K85 "P190-A Rhogap Ff1 Domain" 100.00 69 100.00 100.00 8.59e-43 DBJ BAB21813 "KIAA1722 protein [Homo sapiens]" 94.20 1499 100.00 100.00 3.24e-35 DBJ BAD32520 "mKIAA1722 protein [Mus musculus]" 94.20 1337 98.46 98.46 5.93e-35 DBJ BAE27848 "unnamed protein product [Mus musculus]" 94.20 1499 98.46 98.46 7.02e-35 DBJ BAE28076 "unnamed protein product [Mus musculus]" 94.20 1499 98.46 98.46 7.02e-35 DBJ BAE36578 "unnamed protein product [Mus musculus]" 94.20 1187 98.46 98.46 7.25e-35 GB AAF80386 "Rho GAP p190-A [Homo sapiens]" 94.20 1514 98.46 98.46 2.64e-34 GB AAI31566 "GRLF1 protein [Homo sapiens]" 94.20 749 100.00 100.00 8.25e-36 GB AAI39460 "Grlf1 protein [Mus musculus]" 94.20 1499 98.46 98.46 7.02e-35 GB AAI39462 "Glucocorticoid receptor DNA binding factor 1 [Mus musculus]" 94.20 1499 98.46 98.46 7.02e-35 GB AAI50258 "GRLF1 protein [Homo sapiens]" 94.20 1499 100.00 100.00 3.24e-35 REF NP_001003022 "rho GTPase-activating protein 35 [Canis lupus familiaris]" 94.20 1500 100.00 100.00 2.59e-35 REF NP_001179327 "rho GTPase-activating protein 35 [Bos taurus]" 94.20 1500 100.00 100.00 2.59e-35 REF NP_001258061 "rho GTPase-activating protein 35 [Rattus norvegicus]" 94.20 1499 98.46 100.00 2.18e-34 REF NP_004482 "rho GTPase-activating protein 35 [Homo sapiens]" 94.20 1499 100.00 100.00 3.24e-35 REF NP_766327 "rho GTPase-activating protein 35 [Mus musculus]" 94.20 1499 98.46 98.46 7.02e-35 SP P81128 "RecName: Full=Rho GTPase-activating protein 35; AltName: Full=GAP-associated protein p190; AltName: Full=Glucocorticoid recepto" 94.20 1513 98.46 100.00 6.61e-35 SP P83509 "RecName: Full=Rho GTPase-activating protein 35; AltName: Full=Glucocorticoid receptor DNA-binding factor 1; AltName: Full=Rho G" 94.20 1500 100.00 100.00 2.59e-35 SP Q91YM2 "RecName: Full=Rho GTPase-activating protein 35; AltName: Full=Glucocorticoid receptor DNA-binding factor 1" 94.20 1499 98.46 98.46 7.02e-35 SP Q9NRY4 "RecName: Full=Rho GTPase-activating protein 35; AltName: Full=Glucocorticoid receptor DNA-binding factor 1; AltName: Full=Gluco" 94.20 1499 100.00 100.00 3.24e-35 TPG DAA19691 "TPA: glucocorticoid receptor DNA binding factor 1-like [Bos taurus]" 94.20 1500 100.00 100.00 2.59e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p190-A_RhoGAP_FF1_domain Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $p190-A_RhoGAP_FF1_domain 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET_trx 'contains a His-tag, a thioredoxin fusion protein and a TEV cleavage-site' 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 $p190-A_RhoGAP_FF1_domain 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p190-A_RhoGAP_FF1_domain 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 0.5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p190-A_RhoGAP_FF1_domain 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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 processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 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' 0.2 . M pH 7.2 . pH pressure 1 . atm temperature 285 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 . indirect . . . 0.404808636 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-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name p190-A_RhoGAP_FF1_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 3 3 MET H H 8.439 0.100 1 2 3 3 MET HA H 4.006 0.100 1 3 3 3 MET HB2 H 1.047 0.100 2 4 3 3 MET HG2 H 1.256 0.100 2 5 3 3 MET HG3 H 1.174 0.100 2 6 3 3 MET CA C 53.014 0.300 1 7 4 4 GLY H H 8.34 0.100 1 8 4 4 GLY HA2 H 4.0605 0.100 2 9 4 4 GLY HA3 H 3.795 0.100 2 10 4 4 GLY CA C 42.813 0.300 1 11 4 4 GLY N N 110.646 0.300 1 12 5 5 SER H H 8.233 0.100 1 13 5 5 SER HA H 3.956 0.100 1 14 5 5 SER HB2 H 3.909 0.100 2 15 5 5 SER CA C 56.025 0.300 1 16 5 5 SER CB C 60.918 0.300 1 17 6 6 GLN H H 8.338 0.100 1 18 6 6 GLN HA H 4.0865 0.100 1 19 6 6 GLN HB2 H 1.88 0.100 2 20 6 6 GLN HE21 H 7.377 0.100 2 21 6 6 GLN HE22 H 6.747 0.100 2 22 6 6 GLN HG2 H 2.1475 0.100 2 23 6 6 GLN CA C 54.294 0.300 1 24 6 6 GLN CB C 25.937 0.300 1 25 6 6 GLN CG C 30.937 0.300 1 26 7 7 GLN H H 8.10175 0.100 1 27 7 7 GLN HA H 4.022375 0.100 1 28 7 7 GLN HB2 H 1.895 0.100 2 29 7 7 GLN HE21 H 7.4725 0.100 2 30 7 7 GLN HE22 H 6.745 0.100 2 31 7 7 GLN HG2 H 2.204 0.100 2 32 7 7 GLN HG3 H 2.1715 0.100 2 33 7 7 GLN CA C 54.971 0.300 1 34 7 7 GLN CB C 26.139 0.300 1 35 7 7 GLN CG C 30.937 0.300 1 36 7 7 GLN N N 121.077 0.300 1 37 7 7 GLN NE2 N 112.782 0.300 1 38 8 8 ILE H H 7.931 0.100 1 39 8 8 ILE HA H 3.70675 0.100 1 40 8 8 ILE HB H 1.6485 0.100 1 41 8 8 ILE HD1 H 0.6375 0.100 2 42 8 8 ILE HG12 H 1.4005 0.100 2 43 8 8 ILE HG13 H 0.8775 0.100 2 44 8 8 ILE HG2 H 0.73375 0.100 2 45 8 8 ILE CA C 60.313 0.300 1 46 8 8 ILE CB C 35.549 0.300 1 47 8 8 ILE CD1 C 10.311 0.300 1 48 8 8 ILE CG1 C 26.562 0.300 1 49 8 8 ILE CG2 C 14.686 0.300 1 50 8 8 ILE N N 121.658 0.300 1 51 9 9 ALA H H 8.0665 0.100 1 52 9 9 ALA HA H 4.153875 0.100 1 53 9 9 ALA HB H 1.27525 0.100 2 54 9 9 ALA CA C 51.5355 0.300 1 55 9 9 ALA CB C 16.9815 0.300 1 56 9 9 ALA N N 125.451 0.300 1 57 10 10 THR H H 8.3405 0.100 1 58 10 10 THR HA H 4.08 0.100 1 59 10 10 THR HB H 4.25175 0.100 1 60 10 10 THR HG2 H 1.158125 0.100 2 61 10 10 THR CA C 60.938 0.300 1 62 10 10 THR CB C 67.814 0.300 1 63 10 10 THR CG2 C 19.062 0.300 1 64 10 10 THR N N 113.598 0.300 1 65 11 11 ALA H H 8.16875 0.100 1 66 11 11 ALA HA H 3.9785 0.100 1 67 11 11 ALA HB H 1.3905 0.100 2 68 11 11 ALA CA C 52.638 0.300 1 69 11 11 ALA CB C 15.450 0.300 1 70 12 12 LYS H H 8.7415 0.100 1 71 12 12 LYS HA H 3.43325 0.100 1 72 12 12 LYS HB2 H 1.80025 0.100 2 73 12 12 LYS HB3 H 1.732 0.100 2 74 12 12 LYS HD2 H 0.772 0.100 2 75 12 12 LYS HE2 H 2.7765 0.100 2 76 12 12 LYS HE3 H 2.724 0.100 2 77 12 12 LYS HG2 H 1.20675 0.100 2 78 12 12 LYS HG3 H 1.02075 0.100 2 79 12 12 LYS CA C 57.832 0.300 1 80 12 12 LYS CB C 29.978 0.300 1 81 12 12 LYS CE C 39.062 0.300 1 82 12 12 LYS CG C 22.187 0.300 1 83 12 12 LYS N N 121.423 0.300 1 84 13 13 ASP H H 7.6885 0.100 1 85 13 13 ASP HA H 4.026 0.100 1 86 13 13 ASP HB2 H 2.57575 0.100 2 87 13 13 ASP HB3 H 2.214375 0.100 2 88 13 13 ASP CA C 54.896 0.300 1 89 13 13 ASP CB C 37.9035 0.300 1 90 13 13 ASP N N 119.535 0.300 1 91 14 14 LYS H H 7.8055 0.100 1 92 14 14 LYS HA H 3.803 0.100 1 93 14 14 LYS HB2 H 1.67175 0.100 2 94 14 14 LYS HG2 H 1.29875 0.100 2 95 14 14 LYS CA C 56.563 0.300 1 96 14 14 LYS N N 117.395 0.300 1 97 15 15 TYR H H 7.8675 0.100 1 98 15 15 TYR HA H 4.0385 0.100 1 99 15 15 TYR HB2 H 2.842 0.100 2 100 15 15 TYR HB3 H 2.44175 0.100 2 101 15 15 TYR HD1 H 6.44575 0.100 3 102 15 15 TYR HD2 H 6.44575 0.100 3 103 15 15 TYR HE1 H 6.792 0.100 3 104 15 15 TYR HE2 H 6.792 0.100 3 105 15 15 TYR CA C 58.284 0.300 1 106 15 15 TYR CB C 35.361 0.300 1 107 15 15 TYR CD2 C 129.400 0.300 1 108 15 15 TYR CE2 C 115.378 0.300 1 109 15 15 TYR N N 120.763 0.300 1 110 16 16 GLU H H 8.575 0.100 1 111 16 16 GLU HA H 3.1775 0.100 1 112 16 16 GLU HB2 H 1.912 0.100 2 113 16 16 GLU HB3 H 1.733 0.100 2 114 16 16 GLU HG2 H 2.3305 0.100 2 115 16 16 GLU HG3 H 1.74475 0.100 2 116 16 16 GLU CA C 58.622 0.300 1 117 16 16 GLU CB C 26.562 0.300 1 118 16 16 GLU CG C 36.562 0.300 1 119 16 16 GLU N N 119.244 0.300 1 120 17 17 TRP H H 8.08175 0.100 1 121 17 17 TRP HA H 4.12375 0.100 1 122 17 17 TRP HB2 H 3.2835 0.100 2 123 17 17 TRP HB3 H 3.12275 0.100 2 124 17 17 TRP HD1 H 7.03225 0.100 1 125 17 17 TRP HE1 H 9.922 0.100 1 126 17 17 TRP HE3 H 7.459 0.100 1 127 17 17 TRP HH2 H 6.96675 0.100 1 128 17 17 TRP HZ2 H 7.2165 0.100 1 129 17 17 TRP HZ3 H 6.877 0.100 1 130 17 17 TRP CA C 57.229 0.300 1 131 17 17 TRP CB C 25.612 0.300 1 132 17 17 TRP CD1 C 123.668 0.300 1 133 17 17 TRP CE3 C 117.681 0.300 1 134 17 17 TRP CH2 C 121.519 0.300 1 135 17 17 TRP CZ2 C 111.027 0.300 1 136 17 17 TRP CZ3 C 118.807 0.300 1 137 17 17 TRP N N 120.589 0.300 1 138 17 17 TRP NE1 N 129.314 0.300 1 139 18 18 LEU H H 7.6185 0.100 1 140 18 18 LEU HA H 3.55325 0.100 1 141 18 18 LEU HB2 H 2.09525 0.100 2 142 18 18 LEU HB3 H 1.35275 0.100 2 143 18 18 LEU HD1 H 1.055 0.100 2 144 18 18 LEU HD2 H 0.787 0.100 2 145 18 18 LEU HG H 1.07825 0.100 1 146 18 18 LEU CA C 55.837 0.300 1 147 18 18 LEU CB C 38.786 0.300 1 148 18 18 LEU CD1 C 20.937 0.300 2 149 18 18 LEU CD2 C 20.937 0.300 2 150 18 18 LEU CG C 25.937 0.300 1 151 18 18 LEU N N 122.925 0.300 1 152 19 19 VAL H H 8.06925 0.100 1 153 19 19 VAL HA H 3.05975 0.100 1 154 19 19 VAL HB H 1.46125 0.100 1 155 19 19 VAL HG1 H 0.3265 0.100 2 156 19 19 VAL HG2 H 0.5755 0.100 2 157 19 19 VAL CA C 64.268 0.300 1 158 19 19 VAL CB C 28.849 0.300 1 159 19 19 VAL CG1 C 20.937 0.300 2 160 19 19 VAL CG2 C 19.062 0.300 2 161 19 19 VAL N N 118.738 0.300 1 162 20 20 SER H H 7.3795 0.100 1 163 20 20 SER HA H 3.56875 0.100 1 164 20 20 SER HB2 H 3.642 0.100 2 165 20 20 SER HB3 H 3.5025 0.100 2 166 20 20 SER CA C 59.063 0.300 1 167 20 20 SER CB C 60.354 0.300 1 168 20 20 SER N N 111.215 0.300 1 169 21 21 ARG H H 7.2905 0.100 1 170 21 21 ARG HA H 3.85975 0.100 1 171 21 21 ARG HB2 H 1.46325 0.100 2 172 21 21 ARG HB3 H 1.4325 0.100 2 173 21 21 ARG HD2 H 2.54625 0.100 2 174 21 21 ARG HD3 H 2.4315 0.100 2 175 21 21 ARG HG2 H 1.10425 0.100 2 176 21 21 ARG HG3 H 1.056 0.100 2 177 21 21 ARG CA C 55.197 0.300 1 178 21 21 ARG CB C 28.021 0.300 1 179 21 21 ARG CD C 40.313 0.300 1 180 21 21 ARG CG C 24.687 0.300 1 181 21 21 ARG N N 119.898 0.300 1 182 22 22 ILE H H 7.695 0.100 1 183 22 22 ILE HA H 3.9 0.100 1 184 22 22 ILE HB H 1.6585 0.100 1 185 22 22 ILE HD1 H 0.47425 0.100 2 186 22 22 ILE HG12 H 1.211 0.100 2 187 22 22 ILE HG13 H 1.137 0.100 2 188 22 22 ILE HG2 H 0.6785 0.100 2 189 22 22 ILE CA C 59.337 0.300 1 190 22 22 ILE CB C 36.562 0.300 1 191 22 22 ILE CD1 C 9.686 0.300 1 192 22 22 ILE CG1 C 25.312 0.300 1 193 22 22 ILE CG2 C 15.312 0.300 1 194 22 22 ILE N N 116.745 0.300 1 195 23 23 VAL H H 7.969 0.100 1 196 23 23 VAL HA H 3.88725 0.100 1 197 23 23 VAL HB H 2.09675 0.100 1 198 23 23 VAL HG1 H 1.09125 0.100 2 199 23 23 VAL HG2 H 0.806125 0.100 2 200 23 23 VAL CA C 60.956 0.300 1 201 23 23 VAL CB C 28.307 0.300 1 202 23 23 VAL CG1 C 20.937 0.300 2 203 23 23 VAL CG2 C 19.687 0.300 2 204 23 23 VAL N N 122.152 0.300 1 205 24 24 LYS H H 9.0065 0.100 1 206 24 24 LYS HA H 4.285125 0.100 1 207 24 24 LYS HB2 H 1.7085 0.100 2 208 24 24 LYS HB3 H 1.5415 0.100 2 209 24 24 LYS HD2 H 1.4295 0.100 2 210 24 24 LYS HE2 H 2.794 0.100 2 211 24 24 LYS HG2 H 1.25125 0.100 2 212 24 24 LYS HG3 H 1.1465 0.100 2 213 24 24 LYS CA C 52.838 0.300 1 214 24 24 LYS CB C 30.937 0.300 1 215 24 24 LYS CD C 25.312 0.300 1 216 24 24 LYS CE C 39.062 0.300 1 217 24 24 LYS CG C 21.562 0.300 1 218 24 24 LYS N N 127.138 0.300 1 219 25 25 ASN H H 7.9355 0.100 1 220 25 25 ASN HA H 4.72675 0.100 1 221 25 25 ASN HB2 H 2.678875 0.100 2 222 25 25 ASN HB3 H 2.514375 0.100 2 223 25 25 ASN HD21 H 7.529 0.100 2 224 25 25 ASN HD22 H 6.735 0.100 2 225 25 25 ASN CA C 49.688 0.300 1 226 25 25 ASN CB C 38.574 0.300 1 227 25 25 ASN N N 116.900 0.300 1 228 25 25 ASN ND2 N 114.534 0.300 1 229 26 26 HIS H H 8.03525 0.100 1 230 26 26 HIS HA H 4.096125 0.100 1 231 26 26 HIS HB2 H 3.06675 0.100 2 232 26 26 HIS HB3 H 2.5905 0.100 2 233 26 26 HIS HD1 H 6.6845 0.100 1 234 26 26 HIS HD2 H 6.693 0.100 1 235 26 26 HIS HE1 H 7.4695 0.100 1 236 26 26 HIS CA C 54.7545 0.300 1 237 26 26 HIS CB C 27.8325 0.300 1 238 26 26 HIS CD2 C 116.043 0.300 1 239 26 26 HIS CE1 C 135.030 0.300 1 240 26 26 HIS N N 117.740 0.300 1 241 27 27 ASN H H 7.9495 0.100 1 242 27 27 ASN HA H 4.5365 0.100 1 243 27 27 ASN HB2 H 2.50225 0.100 2 244 27 27 ASN HB3 H 2.41 0.100 2 245 27 27 ASN HD21 H 7.2275 0.100 2 246 27 27 ASN HD22 H 6.5295 0.100 2 247 27 27 ASN CA C 50.304 0.300 1 248 27 27 ASN CB C 35.850 0.300 1 249 27 27 ASN N N 117.497 0.300 1 250 27 27 ASN ND2 N 113.049 0.300 1 251 28 28 GLU H H 7.02 0.100 1 252 28 28 GLU HA H 4.171 0.100 1 253 28 28 GLU HB2 H 1.986 0.100 2 254 28 28 GLU HB3 H 1.811 0.100 2 255 28 28 GLU HG2 H 2.37125 0.100 2 256 28 28 GLU HG3 H 2.137 0.100 2 257 28 28 GLU CA C 54.971 0.300 1 258 28 28 GLU CB C 28.398 0.300 1 259 28 28 GLU CG C 34.687 0.300 1 260 28 28 GLU N N 120.910 0.300 1 261 29 29 ASN H H 8.539 0.100 1 262 29 29 ASN HA H 5.054875 0.100 1 263 29 29 ASN HB2 H 3.04325 0.100 2 264 29 29 ASN HB3 H 2.751875 0.100 2 265 29 29 ASN HD21 H 7.7585 0.100 2 266 29 29 ASN HD22 H 6.776 0.100 2 267 29 29 ASN CA C 49.375 0.300 1 268 29 29 ASN CB C 38.824 0.300 1 269 29 29 ASN N N 118.857 0.300 1 270 29 29 ASN ND2 N 115.004 0.300 1 271 30 30 TRP H H 9.2185 0.100 1 272 30 30 TRP HA H 3.63675 0.100 1 273 30 30 TRP HB2 H 3.18025 0.100 2 274 30 30 TRP HB3 H 2.96425 0.100 2 275 30 30 TRP HD1 H 6.98875 0.100 1 276 30 30 TRP HE1 H 9.9725 0.100 1 277 30 30 TRP HE3 H 6.1895 0.100 1 278 30 30 TRP HH2 H 7.021 0.100 1 279 30 30 TRP HZ2 H 7.23125 0.100 1 280 30 30 TRP HZ3 H 6.5695 0.100 1 281 30 30 TRP CA C 55.988 0.300 1 282 30 30 TRP CB C 27.757 0.300 1 283 30 30 TRP CD1 C 123.924 0.300 1 284 30 30 TRP CE3 C 113.872 0.300 1 285 30 30 TRP CH2 C 121.417 0.300 1 286 30 30 TRP CZ2 C 111.744 0.300 1 287 30 30 TRP CZ3 C 118.667 0.300 1 288 30 30 TRP N N 122.308 0.300 1 289 30 30 TRP NE1 N 128.319 0.300 1 290 31 31 LEU H H 8.3285 0.100 1 291 31 31 LEU HA H 3.30175 0.100 1 292 31 31 LEU HB2 H 1.4665 0.100 2 293 31 31 LEU HB3 H 1.306 0.100 2 294 31 31 LEU HD1 H 0.70025 0.100 2 295 31 31 LEU HD2 H 0.6535 0.100 2 296 31 31 LEU HG H 1.493 0.100 1 297 31 31 LEU CA C 55.874 0.300 1 298 31 31 LEU CB C 38.372 0.300 1 299 31 31 LEU CD1 C 22.187 0.300 2 300 31 31 LEU CD2 C 22.187 0.300 2 301 31 31 LEU CG C 24.062 0.300 1 302 31 31 LEU N N 120.479 0.300 1 303 32 32 SER H H 7.5205 0.100 1 304 32 32 SER HA H 3.8935 0.100 1 305 32 32 SER HB2 H 3.75125 0.100 2 306 32 32 SER HB3 H 3.714 0.100 2 307 32 32 SER CA C 58.245 0.300 1 308 32 32 SER CB C 60.316 0.300 1 309 32 32 SER N N 112.204 0.300 1 310 33 33 VAL H H 7.8735 0.100 1 311 33 33 VAL HA H 3.293 0.100 1 312 33 33 VAL HB H 1.36525 0.100 1 313 33 33 VAL HG1 H 0.8485 0.100 2 314 33 33 VAL HG2 H 0.6015 0.100 2 315 33 33 VAL CA C 63.629 0.300 1 316 33 33 VAL CB C 29.000 0.300 1 317 33 33 VAL CG1 C 20.937 0.300 2 318 33 33 VAL CG2 C 18.437 0.300 2 319 33 33 VAL N N 121.321 0.300 1 320 34 34 SER H H 8.2135 0.100 1 321 34 34 SER HA H 2.77725 0.100 1 322 34 34 SER HB2 H 2.469 0.100 2 323 34 34 SER HB3 H 1.554 0.100 2 324 34 34 SER CA C 59.063 0.300 1 325 34 34 SER CB C 58.438 0.300 1 326 34 34 SER N N 116.084 0.300 1 327 35 35 ARG H H 6.651 0.100 1 328 35 35 ARG HA H 3.64925 0.100 1 329 35 35 ARG HB2 H 1.5965 0.100 2 330 35 35 ARG HD2 H 2.8985 0.100 2 331 35 35 ARG HG2 H 1.4595 0.100 2 332 35 35 ARG HG3 H 1.3085 0.100 2 333 35 35 ARG CA C 56.778 0.300 1 334 35 35 ARG CB C 26.892 0.300 1 335 35 35 ARG CD C 40.313 0.300 1 336 35 35 ARG CG C 24.687 0.300 1 337 35 35 ARG N N 120.706 0.300 1 338 36 36 LYS H H 7.0745 0.100 1 339 36 36 LYS HA H 3.84025 0.100 1 340 36 36 LYS HB2 H 1.759 0.100 2 341 36 36 LYS HB3 H 1.61275 0.100 2 342 36 36 LYS HD2 H 1.484 0.100 2 343 36 36 LYS HE2 H 2.7815 0.100 2 344 36 36 LYS HG2 H 1.3885 0.100 2 345 36 36 LYS HG3 H 1.20675 0.100 2 346 36 36 LYS CA C 56.288 0.300 1 347 36 36 LYS CB C 30.091 0.300 1 348 36 36 LYS CD C 26.562 0.300 1 349 36 36 LYS CE C 39.687 0.300 1 350 36 36 LYS CG C 22.812 0.300 1 351 36 36 LYS N N 118.246 0.300 1 352 37 37 MET H H 7.3615 0.100 1 353 37 37 MET HA H 3.9575 0.100 1 354 37 37 MET HB2 H 1.5745 0.100 2 355 37 37 MET HB3 H 1.29425 0.100 2 356 37 37 MET HE H 1.7735 0.100 2 357 37 37 MET HG2 H 2.4545 0.100 2 358 37 37 MET HG3 H 1.762 0.100 2 359 37 37 MET CA C 54.972 0.300 1 360 37 37 MET CB C 31.521 0.300 1 361 37 37 MET CG C 29.687 0.300 1 362 37 37 MET N N 116.022 0.300 1 363 38 38 GLN H H 6.836 0.100 1 364 38 38 GLN HA H 3.45525 0.100 1 365 38 38 GLN HB2 H 1.793 0.100 2 366 38 38 GLN HE21 H 7.078 0.100 2 367 38 38 GLN HE22 H 6.6335 0.100 2 368 38 38 GLN HG2 H 2.27575 0.100 2 369 38 38 GLN HG3 H 2.1485 0.100 2 370 38 38 GLN CA C 55.938 0.300 1 371 38 38 GLN CB C 25.312 0.300 1 372 38 38 GLN CG C 30.312 0.300 1 373 38 38 GLN N N 116.745 0.300 1 374 38 38 GLN NE2 N 111.820 0.300 1 375 39 39 ALA H H 7.6355 0.100 1 376 39 39 ALA HA H 4.21025 0.100 1 377 39 39 ALA HB H 1.22925 0.100 2 378 39 39 ALA CA C 50.313 0.300 1 379 39 39 ALA CB C 16.278 0.300 1 380 39 39 ALA N N 118.576 0.300 1 381 40 40 SER H H 8.2465 0.100 1 382 40 40 SER HA H 4.6815 0.100 1 383 40 40 SER HB2 H 4.1215 0.100 2 384 40 40 SER HB3 H 4.0725 0.100 2 385 40 40 SER CA C 55.122 0.300 1 386 40 40 SER CB C 60.938 0.300 1 387 40 40 SER N N 119.184 0.300 1 388 41 41 PRO HA H 4.08275 0.100 1 389 41 41 PRO HB2 H 2.219 0.100 2 390 41 41 PRO HB3 H 1.792 0.100 2 391 41 41 PRO HD2 H 3.9195 0.100 2 392 41 41 PRO HG2 H 1.98275 0.100 2 393 41 41 PRO HG3 H 1.8775 0.100 2 394 41 41 PRO CA C 62.800 0.300 1 395 41 41 PRO CD C 49.063 0.300 1 396 42 42 GLU H H 9.8315 0.100 1 397 42 42 GLU HA H 3.96125 0.100 1 398 42 42 GLU HB2 H 2.01725 0.100 2 399 42 42 GLU HB3 H 1.692 0.100 2 400 42 42 GLU HG2 H 2.3045 0.100 2 401 42 42 GLU HG3 H 2.15 0.100 2 402 42 42 GLU CA C 57.832 0.300 1 403 42 42 GLU CB C 27.812 0.300 1 404 42 42 GLU CG C 31.562 0.300 1 405 42 42 GLU N N 115.590 0.300 1 406 43 43 TYR H H 7.1375 0.100 1 407 43 43 TYR HA H 4.19225 0.100 1 408 43 43 TYR HB2 H 3.247 0.100 2 409 43 43 TYR HB3 H 2.91375 0.100 2 410 43 43 TYR HD1 H 6.916 0.100 3 411 43 43 TYR HD2 H 6.916 0.100 3 412 43 43 TYR HE1 H 6.5445 0.100 3 413 43 43 TYR HE2 H 6.5445 0.100 3 414 43 43 TYR CA C 58.438 0.300 1 415 43 43 TYR CB C 37.812 0.300 1 416 43 43 TYR CD2 C 130.373 0.300 1 417 43 43 TYR CE2 C 114.866 0.300 1 418 43 43 TYR N N 118.651 0.300 1 419 44 44 GLN H H 7.8325 0.100 1 420 44 44 GLN HA H 3.506 0.100 1 421 44 44 GLN HB2 H 1.92625 0.100 2 422 44 44 GLN HB3 H 1.82025 0.100 2 423 44 44 GLN HE21 H 7.64 0.100 2 424 44 44 GLN HE22 H 6.664 0.100 2 425 44 44 GLN HG2 H 2.499 0.100 2 426 44 44 GLN HG3 H 2.377 0.100 2 427 44 44 GLN CA C 56.110 0.300 1 428 44 44 GLN CB C 25.161 0.300 1 429 44 44 GLN CG C 30.937 0.300 1 430 44 44 GLN N N 117.515 0.300 1 431 44 44 GLN NE2 N 110.570 0.300 1 432 45 45 ASP H H 8.9675 0.100 1 433 45 45 ASP HA H 4.22375 0.100 1 434 45 45 ASP HB2 H 2.576 0.100 2 435 45 45 ASP HB3 H 2.3895 0.100 2 436 45 45 ASP CA C 54.407 0.300 1 437 45 45 ASP CB C 37.694 0.300 1 438 45 45 ASP N N 118.351 0.300 1 439 46 46 TYR H H 6.841 0.100 1 440 46 46 TYR HA H 3.77475 0.100 1 441 46 46 TYR HB2 H 2.84325 0.100 2 442 46 46 TYR HB3 H 2.305 0.100 2 443 46 46 TYR HD1 H 6.0725 0.100 3 444 46 46 TYR HD2 H 6.0725 0.100 3 445 46 46 TYR HE1 H 6.129 0.100 3 446 46 46 TYR HE2 H 6.129 0.100 3 447 46 46 TYR CA C 60.316 0.300 1 448 46 46 TYR CB C 36.452 0.300 1 449 46 46 TYR CD2 C 128.786 0.300 1 450 46 46 TYR CE2 C 114.405 0.300 1 451 46 46 TYR N N 118.500 0.300 1 452 47 47 VAL H H 8.125 0.100 1 453 47 47 VAL HA H 2.82325 0.100 1 454 47 47 VAL HB H 1.4525 0.100 1 455 47 47 VAL HG1 H 0.13675 0.100 2 456 47 47 VAL HG2 H 0.43375 0.100 2 457 47 47 VAL CA C 63.553 0.300 1 458 47 47 VAL CB C 27.812 0.300 1 459 47 47 VAL CG1 C 19.687 0.300 2 460 47 47 VAL CG2 C 19.062 0.300 2 461 47 47 VAL N N 117.616 0.300 1 462 48 48 TYR H H 7.8575 0.100 1 463 48 48 TYR HA H 3.86875 0.100 1 464 48 48 TYR HB2 H 3.0285 0.100 2 465 48 48 TYR HB3 H 2.8265 0.100 2 466 48 48 TYR HD1 H 6.857 0.100 3 467 48 48 TYR HD2 H 6.857 0.100 3 468 48 48 TYR HE1 H 6.582 0.100 3 469 48 48 TYR HE2 H 6.582 0.100 3 470 48 48 TYR CA C 58.622 0.300 1 471 48 48 TYR CB C 35.775 0.300 1 472 48 48 TYR CD2 C 130.015 0.300 1 473 48 48 TYR CE2 C 114.917 0.300 1 474 48 48 TYR N N 121.176 0.300 1 475 49 49 LEU H H 6.926 0.100 1 476 49 49 LEU HA H 3.7755 0.100 1 477 49 49 LEU HB2 H 1.47025 0.100 2 478 49 49 LEU HB3 H 1.2115 0.100 2 479 49 49 LEU HD1 H 0.7005 0.100 2 480 49 49 LEU HD2 H 0.64975 0.100 2 481 49 49 LEU HG H 1.69775 0.100 1 482 49 49 LEU CA C 54.688 0.300 1 483 49 49 LEU CB C 40.938 0.300 1 484 49 49 LEU CD1 C 22.812 0.300 2 485 49 49 LEU CD2 C 22.812 0.300 2 486 49 49 LEU CG C 25.312 0.300 1 487 49 49 LEU N N 116.307 0.300 1 488 50 50 GLU H H 7.8945 0.100 1 489 50 50 GLU HA H 4.212 0.100 1 490 50 50 GLU HB2 H 1.65775 0.100 2 491 50 50 GLU HB3 H 0.5215 0.100 2 492 50 50 GLU HG2 H 1.697 0.100 2 493 50 50 GLU HG3 H 1.40775 0.100 2 494 50 50 GLU CA C 53.616 0.300 1 495 50 50 GLU CB C 28.924 0.300 1 496 50 50 GLU CG C 32.812 0.300 1 497 50 50 GLU N N 114.774 0.300 1 498 51 51 GLY H H 7.768 0.100 1 499 51 51 GLY HA2 H 4.168 0.100 2 500 51 51 GLY HA3 H 3.76975 0.100 2 501 51 51 GLY CA C 42.188 0.300 1 502 51 51 GLY N N 109.724 0.300 1 503 52 52 THR H H 8.2305 0.100 1 504 52 52 THR HA H 3.68725 0.100 1 505 52 52 THR HB H 4.1235 0.100 1 506 52 52 THR HG2 H 1.25725 0.100 2 507 52 52 THR CA C 62.813 0.300 1 508 52 52 THR CB C 66.564 0.300 1 509 52 52 THR CG2 C 20.312 0.300 1 510 52 52 THR N N 111.611 0.300 1 511 53 53 GLN H H 8.342 0.100 1 512 53 53 GLN HA H 3.784 0.100 1 513 53 53 GLN HB2 H 1.853 0.100 2 514 53 53 GLN HB3 H 1.835 0.100 2 515 53 53 GLN HE21 H 7.4225 0.100 2 516 53 53 GLN HE22 H 6.767 0.100 2 517 53 53 GLN HG2 H 2.234 0.100 2 518 53 53 GLN CA C 57.117 0.300 1 519 53 53 GLN CB C 24.521 0.300 1 520 53 53 GLN CG C 31.562 0.300 1 521 53 53 GLN N N 122.288 0.300 1 522 53 53 GLN NE2 N 112.996 0.300 1 523 54 54 LYS H H 8.2365 0.100 1 524 54 54 LYS HA H 3.78425 0.100 1 525 54 54 LYS HB2 H 1.79275 0.100 2 526 54 54 LYS HB3 H 1.42675 0.100 2 527 54 54 LYS HD2 H 1.5335 0.100 2 528 54 54 LYS HE2 H 2.75 0.100 2 529 54 54 LYS HG2 H 1.421 0.100 2 530 54 54 LYS HG3 H 1.25725 0.100 2 531 54 54 LYS CA C 57.230 0.300 1 532 54 54 LYS CB C 28.437 0.300 1 533 54 54 LYS CD C 27.187 0.300 1 534 54 54 LYS CE C 38.437 0.300 1 535 54 54 LYS CG C 24.062 0.300 1 536 54 54 LYS N N 121.397 0.300 1 537 55 55 ALA H H 7.2065 0.100 1 538 55 55 ALA HA H 3.893 0.100 1 539 55 55 ALA HB H 1.3285 0.100 2 540 55 55 ALA CA C 49.063 0.300 1 541 55 55 ALA CB C 16.562 0.300 1 542 55 55 ALA N N 121.624 0.300 1 543 56 56 LYS H H 8.199 0.100 1 544 56 56 LYS HA H 2.31575 0.100 1 545 56 56 LYS HB2 H 1.36075 0.100 2 546 56 56 LYS HB3 H 0.5225 0.100 2 547 56 56 LYS HD2 H 1.10325 0.100 2 548 56 56 LYS HD3 H 0.93325 0.100 2 549 56 56 LYS HE2 H 2.519 0.100 2 550 56 56 LYS HG2 H 0.5135 0.100 2 551 56 56 LYS HG3 H -0.18425 0.100 2 552 56 56 LYS CA C 56.514 0.300 1 553 56 56 LYS CB C 29.527 0.300 1 554 56 56 LYS CD C 27.812 0.300 1 555 56 56 LYS CE C 39.062 0.300 1 556 56 56 LYS CG C 21.562 0.300 1 557 56 56 LYS N N 124.153 0.300 1 558 57 57 LYS H H 7.8015 0.100 1 559 57 57 LYS HA H 3.696 0.100 1 560 57 57 LYS HB2 H 1.77525 0.100 2 561 57 57 LYS HB3 H 1.146 0.100 2 562 57 57 LYS HD2 H 1.4595 0.100 2 563 57 57 LYS HE2 H 2.6945 0.100 2 564 57 57 LYS HG2 H 1.42575 0.100 2 565 57 57 LYS HG3 H 1.147 0.100 2 566 57 57 LYS CA C 57.305 0.300 1 567 57 57 LYS CB C 29.790 0.300 1 568 57 57 LYS CD C 25.937 0.300 1 569 57 57 LYS CE C 39.687 0.300 1 570 57 57 LYS CG C 22.812 0.300 1 571 57 57 LYS N N 120.226 0.300 1 572 58 58 LEU H H 7.7485 0.100 1 573 58 58 LEU HA H 4.014 0.100 1 574 58 58 LEU HB2 H 1.9335 0.100 2 575 58 58 LEU HB3 H 1.45125 0.100 2 576 58 58 LEU HD1 H 0.7425 0.100 2 577 58 58 LEU HD2 H 0.679 0.100 2 578 58 58 LEU HG H 1.782 0.100 1 579 58 58 LEU CA C 55.912 0.300 1 580 58 58 LEU CB C 39.313 0.300 1 581 58 58 LEU CD1 C 23.437 0.300 2 582 58 58 LEU CD2 C 23.437 0.300 2 583 58 58 LEU CG C 25.937 0.300 1 584 58 58 LEU N N 118.589 0.300 1 585 59 59 PHE H H 7.587 0.100 1 586 59 59 PHE HA H 4.18125 0.100 1 587 59 59 PHE HB2 H 3.369 0.100 2 588 59 59 PHE HB3 H 3.2045 0.100 2 589 59 59 PHE HD1 H 7.09 0.100 3 590 59 59 PHE HD2 H 7.09 0.100 3 591 59 59 PHE HE1 H 7.295 0.100 3 592 59 59 PHE HE2 H 7.295 0.100 3 593 59 59 PHE HZ H 6.944 0.100 1 594 59 59 PHE CA C 59.036 0.300 1 595 59 59 PHE CB C 36.340 0.300 1 596 59 59 PHE CD2 C 128.377 0.300 1 597 59 59 PHE CE2 C 128.684 0.300 1 598 59 59 PHE CZ C 130.015 0.300 1 599 59 59 PHE N N 122.478 0.300 1 600 60 60 LEU H H 8.5765 0.100 1 601 60 60 LEU HA H 3.528 0.100 1 602 60 60 LEU HB2 H 1.8305 0.100 2 603 60 60 LEU HB3 H 1.1975 0.100 2 604 60 60 LEU HD1 H 0.763 0.100 2 605 60 60 LEU HD2 H 0.76575 0.100 2 606 60 60 LEU HG H 1.7705 0.100 1 607 60 60 LEU CA C 55.084 0.300 1 608 60 60 LEU CB C 38.259 0.300 1 609 60 60 LEU CD1 C 24.062 0.300 2 610 60 60 LEU CD2 C 24.062 0.300 2 611 60 60 LEU CG C 24.687 0.300 1 612 60 60 LEU N N 120.969 0.300 1 613 61 61 GLN H H 7.956 0.100 1 614 61 61 GLN HA H 3.89175 0.100 1 615 61 61 GLN HB2 H 2.1555 0.100 2 616 61 61 GLN HB3 H 2.09325 0.100 2 617 61 61 GLN HE21 H 7.3695 0.100 2 618 61 61 GLN HE22 H 6.6695 0.100 2 619 61 61 GLN HG2 H 2.40125 0.100 2 620 61 61 GLN HG3 H 2.178 0.100 2 621 61 61 GLN CA C 56.326 0.300 1 622 61 61 GLN CB C 25.581 0.300 1 623 61 61 GLN CG C 31.562 0.300 1 624 61 61 GLN N N 119.668 0.300 1 625 61 61 GLN NE2 N 111.564 0.300 1 626 62 62 HIS H H 7.487 0.100 1 627 62 62 HIS HA H 4.13025 0.100 1 628 62 62 HIS HB2 H 3.02925 0.100 2 629 62 62 HIS HB3 H 2.813 0.100 2 630 62 62 HIS HD1 H 6.135 0.100 1 631 62 62 HIS HE1 H 7.5955 0.100 1 632 62 62 HIS CA C 57.531 0.300 1 633 62 62 HIS CB C 28.134 0.300 1 634 62 62 HIS CD2 C 113.385 0.300 1 635 62 62 HIS CE1 C 135.746 0.300 1 636 62 62 HIS N N 121.475 0.300 1 637 63 63 ILE H H 7.7465 0.100 1 638 63 63 ILE HA H 3.296625 0.100 1 639 63 63 ILE HB H 1.82075 0.100 1 640 63 63 ILE HD1 H 0.495375 0.100 2 641 63 63 ILE HG12 H 0.81875 0.100 2 642 63 63 ILE HG13 H 0.7795 0.100 2 643 63 63 ILE HG2 H 0.682125 0.100 2 644 63 63 ILE CA C 60.4085 0.300 1 645 63 63 ILE CB C 33.437 0.300 1 646 63 63 ILE CD1 C 8.436 0.300 1 647 63 63 ILE CG2 C 15.312 0.300 1 648 63 63 ILE N N 116.455 0.300 1 649 64 64 HIS H H 7.703 0.100 1 650 64 64 HIS HA H 3.98275 0.100 1 651 64 64 HIS HB2 H 3.066 0.100 2 652 64 64 HIS HB3 H 2.952 0.100 2 653 64 64 HIS HD1 H 6.733 0.100 1 654 64 64 HIS HD2 H 6.772 0.100 1 655 64 64 HIS HE1 H 7.5555 0.100 1 656 64 64 HIS CA C 57.832 0.300 1 657 64 64 HIS CB C 27.382 0.300 1 658 64 64 HIS CD2 C 116.145 0.300 1 659 64 64 HIS CE1 C 134.109 0.300 1 660 64 64 HIS N N 118.476 0.300 1 661 65 65 ARG H H 7.501 0.100 1 662 65 65 ARG HA H 3.789 0.100 1 663 65 65 ARG HB2 H 1.78625 0.100 2 664 65 65 ARG HB3 H 1.647 0.100 2 665 65 65 ARG HD2 H 3.07 0.100 2 666 65 65 ARG HD3 H 2.996 0.100 2 667 65 65 ARG HG2 H 1.64 0.100 2 668 65 65 ARG HG3 H 1.35075 0.100 2 669 65 65 ARG CA C 56.966 0.300 1 670 65 65 ARG CB C 27.194 0.300 1 671 65 65 ARG CD C 40.938 0.300 1 672 65 65 ARG CG C 25.312 0.300 1 673 65 65 ARG N N 119.155 0.300 1 674 66 66 LEU H H 7.708 0.100 1 675 66 66 LEU HA H 3.79075 0.100 1 676 66 66 LEU HB2 H 1.5455 0.100 2 677 66 66 LEU HB3 H 1.15375 0.100 2 678 66 66 LEU HD1 H 0.376125 0.100 2 679 66 66 LEU HD2 H 0.38775 0.100 2 680 66 66 LEU HG H 1.086 0.100 1 681 66 66 LEU CA C 54.143 0.300 1 682 66 66 LEU CB C 39.688 0.300 1 683 66 66 LEU CD1 C 22.812 0.300 2 684 66 66 LEU CD2 C 21.2495 0.300 2 685 66 66 LEU CG C 23.437 0.300 1 686 66 66 LEU N N 118.791 0.300 1 687 67 67 LYS H H 7.573 0.100 1 688 67 67 LYS HA H 3.358 0.100 1 689 67 67 LYS HB2 H 1.2125 0.100 2 690 67 67 LYS HD2 H 1.201 0.100 2 691 67 67 LYS HE2 H 2.5905 0.100 2 692 67 67 LYS HE3 H 2.610 0.100 2 693 67 67 LYS HG2 H 0.82425 0.100 2 694 67 67 LYS HG3 H 0.51175 0.100 2 695 67 67 LYS CA C 55.255 0.300 1 696 67 67 LYS CB C 30.352 0.300 1 697 67 67 LYS CD C 26.8745 0.300 1 698 67 67 LYS CE C 39.687 0.300 1 699 67 67 LYS CG C 22.812 0.300 1 700 67 67 LYS N N 118.232 0.300 1 701 68 68 HIS H H 7.398 0.100 1 702 68 68 HIS HA H 4.28725 0.100 1 703 68 68 HIS HB2 H 2.96125 0.100 2 704 68 68 HIS HB3 H 2.5505 0.100 2 705 68 68 HIS HD1 H 6.528 0.100 1 706 68 68 HIS HD2 H 6.554 0.100 1 707 68 68 HIS HE1 H 7.609 0.100 1 708 68 68 HIS CA C 53.438 0.300 1 709 68 68 HIS CB C 27.156 0.300 1 710 68 68 HIS CD2 C 115.531 0.300 1 711 68 68 HIS CE1 C 135.388 0.300 1 712 68 68 HIS N N 116.826 0.300 1 713 69 69 GLU H H 7.512 0.100 1 714 69 69 GLU HA H 3.88975 0.100 1 715 69 69 GLU HB2 H 1.8265 0.100 2 716 69 69 GLU HB3 H 1.703 0.100 2 717 69 69 GLU HG2 H 2.021 0.100 2 718 69 69 GLU CA C 56.563 0.300 1 719 69 69 GLU CB C 27.812 0.300 1 720 69 69 GLU CG C 34.687 0.300 1 721 69 69 GLU N N 126.588 0.300 1 stop_ save_