data_6584 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of the E2 ubiquitin conjugating enzyme UbcH5alpha ; _BMRB_accession_number 6584 _BMRB_flat_file_name bmr6584.str _Entry_type original _Submission_date 2005-04-11 _Accession_date 2005-04-11 _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 Saxena Krishna . . 2 Jacobs Doris M. . 3 Vogtherr Martin . . 4 Grimme Susanne . . 5 Elshorst Bettina . . 6 Fiebig Klaus M. . 7 Schwalbe Harald . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 138 "13C chemical shifts" 268 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-10-25 original author . stop_ _Original_release_date 2005-10-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone NMR Assignment of the Human E2 Ubiquitin Conjugating Enzyme UbcH5alpha (F72K,F82S) Double Mutant ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16211490 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saxena Krishna . . 2 Jacobs Doris M. . 3 Vogtherr Martin . . 4 Grimme Susanne . . 5 Elshorst Bettina . . 6 Pescatore Barbara . . 7 Betz Marco . . 8 Schieborr Ulrich . . 9 Langer Thomas . . 10 Schwalbe Harald . . 11 Fiebig Klaus . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 338 _Page_last 338 _Year 2005 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Scheffner M, Huibregtse JM, Howley PM. Free in PMC Identification of a human ubiquitin-conjugating enzyme that mediates the E6-AP-dependent ubiquitination of p53. Proc Natl Acad Sci U S A. 1994 Sep 13;91(19):8797-801. ; _Citation_title 'Identification of a human ubiquitin-conjugating enzyme that mediates the E6-AP-dependent ubiquitination of p53.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8090726 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Scheffner M . . 2 Huibregtse 'J M' M. . 3 Howley 'P M' M. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 91 _Journal_issue 19 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 8797 _Page_last 8801 _Year 1994 _Details ; The E6 protein of the oncogenic human papillomavirus types 16 and 18 facilitates the rapid degradation of the tumor-suppressor protein p53 via the ubiquitin-dependent proteolytic pathway. The E6 protein binds to a cellular protein of 100 kDa termed E6-AP. The complex of E6 and E6-AP specifically interacts with p53 and induces the ubiquitination of p53 in a reaction which requires the ubiquitin-activating enzyme (E1) and a cellular fraction thought to contain a mammalian ubiquitin-conjugating enzyme (E2). This mammalian E2 activity could be replaced with bacterially expressed UBC8 from Arabidopsis thaliana, which belongs to a subfamily of E2s including yeast UBC4 and UBC5 which are highly conserved at the amino acid level. In this paper we describe the cloning of a human cDNA encoding a human E2 that we have designated UbcH5 and that is related to Arabidopsis UBC8 and the other members of this subfamily. We demonstrate that UbcH5 can function in the E6/E6-AP-induced ubiquitination of p53. ; save_ ################################## # Molecular system description # ################################## save_system_E2 _Saveframe_category molecular_system _Mol_system_name E2 _Abbreviation_common E2 _Enzyme_commission_number 6.3.2.19 loop_ _Mol_system_component_name _Mol_label UBCH5alpha $UBCH5alpha stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'ubiquitin-protein ligase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UBCH5alpha _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ubiquitin ligating enzyme' _Name_variant 'F51K F62S' _Abbreviation_common UBCH5alpha _Molecular_mass . _Mol_thiol_state 'all free' _Details 'Double Mutant F51K F62S, containing N-terminal H-s-Tag and FXa cleaving site.' ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; MGHHHHHHHHHHSSGHIEGR HMALKRIQKELSDLQRDPPA HCSAGPVGDDLFHWQATIMG PPDSAYQGGVFKLTVHFPTD YPSKPPKIAFTTKIYHPNIN SNGSICLDILRSQWSPALTV SKVLLSICSLLCDPNPDDPL VPDIAQIYKSDKEKYNRHAR EWTQKYAM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -21 MET 2 -20 GLY 3 -19 HIS 4 -18 HIS 5 -17 HIS 6 -16 HIS 7 -15 HIS 8 -14 HIS 9 -13 HIS 10 -12 HIS 11 -11 HIS 12 -10 HIS 13 -9 SER 14 -8 SER 15 -7 GLY 16 -6 HIS 17 -5 ILE 18 -4 GLU 19 -3 GLY 20 -2 ARG 21 -1 HIS 22 1 MET 23 2 ALA 24 3 LEU 25 4 LYS 26 5 ARG 27 6 ILE 28 7 GLN 29 8 LYS 30 9 GLU 31 10 LEU 32 11 SER 33 12 ASP 34 13 LEU 35 14 GLN 36 15 ARG 37 16 ASP 38 17 PRO 39 18 PRO 40 19 ALA 41 20 HIS 42 21 CYS 43 22 SER 44 23 ALA 45 24 GLY 46 25 PRO 47 26 VAL 48 27 GLY 49 28 ASP 50 29 ASP 51 30 LEU 52 31 PHE 53 32 HIS 54 33 TRP 55 34 GLN 56 35 ALA 57 36 THR 58 37 ILE 59 38 MET 60 39 GLY 61 40 PRO 62 41 PRO 63 42 ASP 64 43 SER 65 44 ALA 66 45 TYR 67 46 GLN 68 47 GLY 69 48 GLY 70 49 VAL 71 50 PHE 72 51 LYS 73 52 LEU 74 53 THR 75 54 VAL 76 55 HIS 77 56 PHE 78 57 PRO 79 58 THR 80 59 ASP 81 60 TYR 82 61 PRO 83 62 SER 84 63 LYS 85 64 PRO 86 65 PRO 87 66 LYS 88 67 ILE 89 68 ALA 90 69 PHE 91 70 THR 92 71 THR 93 72 LYS 94 73 ILE 95 74 TYR 96 75 HIS 97 76 PRO 98 77 ASN 99 78 ILE 100 79 ASN 101 80 SER 102 81 ASN 103 82 GLY 104 83 SER 105 84 ILE 106 85 CYS 107 86 LEU 108 87 ASP 109 88 ILE 110 89 LEU 111 90 ARG 112 91 SER 113 92 GLN 114 93 TRP 115 94 SER 116 95 PRO 117 96 ALA 118 97 LEU 119 98 THR 120 99 VAL 121 100 SER 122 101 LYS 123 102 VAL 124 103 LEU 125 104 LEU 126 105 SER 127 106 ILE 128 107 CYS 129 108 SER 130 109 LEU 131 110 LEU 132 111 CYS 133 112 ASP 134 113 PRO 135 114 ASN 136 115 PRO 137 116 ASP 138 117 ASP 139 118 PRO 140 119 LEU 141 120 VAL 142 121 PRO 143 122 ASP 144 123 ILE 145 124 ALA 146 125 GLN 147 126 ILE 148 127 TYR 149 128 LYS 150 129 SER 151 130 ASP 152 131 LYS 153 132 GLU 154 133 LYS 155 134 TYR 156 135 ASN 157 136 ARG 158 137 HIS 159 138 ALA 160 139 ARG 161 140 GLU 162 141 TRP 163 142 THR 164 143 GLN 165 144 LYS 166 145 TYR 167 146 ALA 168 147 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 2YHO "The Idol-Ube2d Complex Mediates Sterol-Dependent Degradation Of The Ldl Receptor" 87.50 149 98.64 98.64 3.68e-102 PDB 3OJ4 "Crystal Structure Of The A20 Znf4, Ubiquitin And Ubch5a Complex" 88.10 153 97.97 97.97 2.58e-102 PDB 3PTF "X-Ray Structure Of The Non-Covalent Complex Between Ubch5a And Ubiquitin" 88.10 153 97.97 97.97 2.58e-102 PDB 4AP4 "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex" 87.50 153 97.28 97.28 5.50e-100 DBJ BAE25905 "unnamed protein product [Mus musculus]" 87.50 147 98.64 98.64 2.35e-102 DBJ BAE28506 "unnamed protein product [Mus musculus]" 87.50 147 98.64 98.64 2.35e-102 DBJ BAF84590 "unnamed protein product [Homo sapiens]" 87.50 147 98.64 98.64 2.35e-102 DBJ BAJ20325 "ubiquitin-conjugating enzyme E2D 1 [synthetic construct]" 87.50 147 98.64 98.64 2.35e-102 EMBL CAA55019 "ubiquitin conjugating enzyme [Homo sapiens]" 87.50 147 98.64 98.64 2.35e-102 EMBL CAC82097 "ubiquitin-conjugating enzyme [Homo sapiens]" 87.50 147 98.64 98.64 2.35e-102 EMBL CAC82177 "ubiquitin-conjugating enzyme [Homo sapiens]" 87.50 147 98.64 98.64 2.35e-102 GB AAH05980 "Ubiquitin-conjugating enzyme E2D 1 (UBC4/5 homolog, yeast) [Homo sapiens]" 87.50 147 98.64 98.64 2.35e-102 GB AAH15997 "Ubiquitin-conjugating enzyme E2D 1 (UBC4/5 homolog, yeast) [Homo sapiens]" 87.50 147 98.64 98.64 2.35e-102 GB AAH19464 "Ubiquitin-conjugating enzyme E2D 1, UBC4/5 homolog (yeast) [Mus musculus]" 87.50 147 98.64 98.64 2.35e-102 GB AAI11176 "Ubiquitin-conjugating enzyme E2D 1 (UBC4/5 homolog, yeast) [Bos taurus]" 87.50 147 98.64 98.64 2.35e-102 GB AAM81086 "ubiquitin-conjugating enzyme [Homo sapiens]" 87.50 147 98.64 98.64 2.35e-102 REF NP_001033256 "ubiquitin-conjugating enzyme E2 D1 [Bos taurus]" 87.50 147 98.64 98.64 2.35e-102 REF NP_001072142 "UB2D1 [Sus scrofa]" 87.50 147 98.64 98.64 2.35e-102 REF NP_001102000 "ubiquitin-conjugating enzyme E2 D1 [Rattus norvegicus]" 87.50 147 98.64 98.64 2.35e-102 REF NP_001186455 "ubiquitin-conjugating enzyme E2 D1 [Gallus gallus]" 87.50 147 98.64 98.64 2.35e-102 REF NP_001191809 "ubiquitin-conjugating enzyme E2 D1 isoform 2 [Homo sapiens]" 63.69 109 98.13 98.13 4.28e-70 SP D3ZDK2 "RecName: Full=Ubiquitin-conjugating enzyme E2 D1; AltName: Full=Ubiquitin carrier protein D1; AltName: Full=Ubiquitin-conjugati" 87.50 147 98.64 98.64 2.35e-102 SP P51668 "RecName: Full=Ubiquitin-conjugating enzyme E2 D1; AltName: Full=Stimulator of Fe transport; Short=SFT; AltName: Full=UBC4/5 hom" 87.50 147 98.64 98.64 2.35e-102 SP P61080 "RecName: Full=Ubiquitin-conjugating enzyme E2 D1; AltName: Full=Ubiquitin carrier protein D1; AltName: Full=Ubiquitin-conjugati" 87.50 147 98.64 98.64 2.35e-102 SP Q2TA10 "RecName: Full=Ubiquitin-conjugating enzyme E2 D1; AltName: Full=Ubiquitin carrier protein D1; AltName: Full=Ubiquitin-protein l" 87.50 147 98.64 98.64 2.35e-102 TPG DAA15007 "TPA: ubiquitin-conjugating enzyme E2D 1 [Bos taurus]" 87.50 147 98.64 98.64 2.35e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UBCH5alpha 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 $UBCH5alpha '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 $UBCH5alpha 1.7 mM '[U-13C; U-15N; U-60% 2H]' 'sodium sulphate' 200 mM . 'sodium phosphate' 50 mM . DTT 5 mM . stop_ save_ ############################ # Computer software used # ############################ save_xeasy _Saveframe_category software _Name XEASY _Version . loop_ _Task assignment stop_ _Details ; C. Bartels et al., J. Biomol. NMR 5, 1-10 (1995). ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 900 20 mM pH 6.0 0.1 pH temperature 295 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name UBCH5alpha _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 . 2 GLY N N 109.484 0.1 1 2 . 2 GLY H H 8.440 0.02 1 3 . 2 GLY CA C 42.685 0.1 1 4 . 3 HIS N N 116.916 0.1 1 5 . 3 HIS H H 8.280 0.02 1 6 . 3 HIS CA C 53.035 0.1 1 7 . 3 HIS CB C 26.935 0.1 1 8 . 11 HIS N N 119.584 0.1 1 9 . 11 HIS H H 8.562 0.02 1 10 . 11 HIS CA C 53.207 0.1 1 11 . 11 HIS CB C 26.989 0.1 1 12 . 12 HIS N N 119.128 0.1 1 13 . 12 HIS H H 8.473 0.02 1 14 . 12 HIS CA C 53.144 0.1 1 15 . 12 HIS CB C 27.044 0.1 1 16 . 13 SER N N 117.153 0.1 1 17 . 13 SER H H 8.501 0.02 1 18 . 13 SER CA C 56.101 0.1 1 19 . 13 SER CB C 61.335 0.1 1 20 . 14 SER N N 117.266 0.1 1 21 . 14 SER H H 8.475 0.02 1 22 . 14 SER CA C 56.008 0.1 1 23 . 14 SER CB C 61.390 0.1 1 24 . 15 GLY N N 109.589 0.1 1 25 . 15 GLY H H 8.384 0.02 1 26 . 15 GLY CA C 42.755 0.1 1 27 . 16 HIS N N 118.367 0.1 1 28 . 16 HIS H H 8.206 0.02 1 29 . 16 HIS CA C 53.371 0.1 1 30 . 16 HIS CB C 27.044 0.1 1 31 . 17 ILE N N 122.086 0.1 1 32 . 17 ILE H H 8.118 0.02 1 33 . 17 ILE CA C 58.777 0.1 1 34 . 17 ILE CB C 35.617 0.1 1 35 . 18 GLU N N 123.964 0.1 1 36 . 18 GLU H H 8.567 0.02 1 37 . 18 GLU CA C 54.492 0.1 1 38 . 19 GLY N N 108.943 0.1 1 39 . 19 GLY H H 8.492 0.02 1 40 . 19 GLY CA C 43.612 0.1 1 41 . 20 ARG N N 120.618 0.1 1 42 . 20 ARG H H 8.288 0.02 1 43 . 20 ARG CA C 55.547 0.1 1 44 . 20 ARG CB C 27.426 0.1 1 45 . 21 HIS N N 117.159 0.1 1 46 . 21 HIS H H 8.303 0.02 1 47 . 21 HIS CA C 55.862 0.1 1 48 . 21 HIS CB C 26.880 0.1 1 49 . 22 MET N N 118.300 0.1 1 50 . 22 MET H H 8.052 0.02 1 51 . 22 MET CA C 55.415 0.1 1 52 . 22 MET CB C 29.010 0.1 1 53 . 23 ALA N N 123.660 0.1 1 54 . 23 ALA H H 8.264 0.02 1 55 . 23 ALA CA C 53.107 0.1 1 56 . 23 ALA CB C 16.895 0.1 1 57 . 24 LEU N N 116.466 0.1 1 58 . 24 LEU H H 8.241 0.02 1 59 . 24 LEU CA C 55.349 0.1 1 60 . 24 LEU CB C 39.311 0.1 1 61 . 25 LYS N N 116.616 0.1 1 62 . 25 LYS H H 7.675 0.02 1 63 . 25 LYS CA C 56.404 0.1 1 64 . 25 LYS CB C 29.487 0.1 1 65 . 26 ARG N N 120.285 0.1 1 66 . 26 ARG H H 7.550 0.02 1 67 . 26 ARG CA C 54.953 0.1 1 68 . 26 ARG CB C 25.860 0.1 1 69 . 27 ILE N N 121.319 0.1 1 70 . 27 ILE H H 8.695 0.02 1 71 . 27 ILE CA C 63.723 0.1 1 72 . 27 ILE CB C 35.355 0.1 1 73 . 28 GLN N N 116.449 0.1 1 74 . 28 GLN H H 8.450 0.02 1 75 . 28 GLN CA C 56.470 0.1 1 76 . 28 GLN CB C 25.860 0.1 1 77 . 29 LYS N N 121.335 0.1 1 78 . 29 LYS H H 7.688 0.02 1 79 . 29 LYS CA C 56.404 0.1 1 80 . 29 LYS CB C 29.289 0.1 1 81 . 30 GLU N N 118.540 0.1 1 82 . 30 GLU H H 8.481 0.02 1 83 . 30 GLU CA C 58.052 0.1 1 84 . 30 GLU CB C 26.981 0.1 1 85 . 31 LEU N N 119.418 0.1 1 86 . 31 LEU H H 8.699 0.02 1 87 . 31 LEU CA C 55.151 0.1 1 88 . 31 LEU CB C 38.454 0.1 1 89 . 32 SER N N 113.682 0.1 1 90 . 32 SER H H 8.135 0.02 1 91 . 32 SER CA C 58.777 0.1 1 92 . 32 SER CB C 60.279 0.1 1 93 . 33 ASP N N 121.136 0.1 1 94 . 33 ASP H H 8.395 0.02 1 95 . 33 ASP CA C 54.927 0.1 1 96 . 33 ASP CB C 37.597 0.1 1 97 . 34 LEU N N 121.118 0.1 1 98 . 34 LEU H H 8.121 0.02 1 99 . 34 LEU CA C 55.349 0.1 1 100 . 34 LEU CB C 39.377 0.1 1 101 . 35 GLN N N 113.913 0.1 1 102 . 35 GLN H H 7.948 0.02 1 103 . 35 GLN CA C 55.217 0.1 1 104 . 35 GLN CB C 25.530 0.1 1 105 . 36 ARG N N 117.138 0.1 1 106 . 36 ARG H H 7.554 0.02 1 107 . 36 ARG CA C 55.217 0.1 1 108 . 36 ARG CB C 28.234 0.1 1 109 . 37 ASP N N 115.849 0.1 1 110 . 37 ASP H H 7.616 0.02 1 111 . 37 ASP CA C 49.085 0.1 1 112 . 37 ASP CB C 38.784 0.1 1 113 . 41 HIS N N 110.491 0.1 1 114 . 41 HIS H H 8.278 0.02 1 115 . 41 HIS CA C 54.600 0.1 1 116 . 41 HIS CB C 26.454 0.1 1 117 . 43 SER N N 112.626 0.1 1 118 . 43 SER H H 8.462 0.02 1 119 . 43 SER CA C 54.623 0.1 1 120 . 43 SER CB C 63.115 0.1 1 121 . 44 ALA N N 120.885 0.1 1 122 . 44 ALA H H 8.218 0.02 1 123 . 44 ALA CA C 49.572 0.1 1 124 . 44 ALA CB C 20.321 0.1 1 125 . 45 GLY N N 102.848 0.1 1 126 . 45 GLY H H 8.017 0.02 1 127 . 45 GLY CA C 42.161 0.1 1 128 . 47 VAL N N 121.717 0.1 1 129 . 47 VAL H H 8.419 0.02 1 130 . 47 VAL CA C 60.162 0.1 1 131 . 47 VAL CB C 29.223 0.1 1 132 . 48 GLY N N 114.549 0.1 1 133 . 48 GLY H H 8.671 0.02 1 134 . 48 GLY CA C 43.480 0.1 1 135 . 49 ASP N N 122.152 0.1 1 136 . 49 ASP H H 8.481 0.02 1 137 . 49 ASP CA C 51.381 0.1 1 138 . 49 ASP CB C 38.388 0.1 1 139 . 50 ASP N N 118.531 0.1 1 140 . 50 ASP H H 7.848 0.02 1 141 . 50 ASP CA C 50.008 0.1 1 142 . 50 ASP CB C 38.520 0.1 1 143 . 51 LEU N N 124.041 0.1 1 144 . 51 LEU H H 8.569 0.02 1 145 . 51 LEU CA C 54.518 0.1 1 146 . 51 LEU CB C 32.897 0.1 1 147 . 52 PHE N N 110.714 0.1 1 148 . 52 PHE H H 8.202 0.02 1 149 . 52 PHE CA C 57.393 0.1 1 150 . 52 PHE CB C 35.553 0.1 1 151 . 53 HIS N N 119.021 0.1 1 152 . 53 HIS H H 7.841 0.02 1 153 . 53 HIS CA C 52.089 0.1 1 154 . 53 HIS CB C 28.893 0.1 1 155 . 54 TRP N N 122.136 0.1 1 156 . 54 TRP H H 9.583 0.02 1 157 . 54 TRP CA C 51.312 0.1 1 158 . 54 TRP CB C 30.344 0.1 1 159 . 55 GLN N N 117.983 0.1 1 160 . 55 GLN H H 8.747 0.02 1 161 . 55 GLN CA C 51.063 0.1 1 162 . 55 GLN CB C 28.432 0.1 1 163 . 56 ALA N N 122.803 0.1 1 164 . 56 ALA H H 8.639 0.02 1 165 . 56 ALA CA C 47.766 0.1 1 166 . 56 ALA CB C 20.717 0.1 1 167 . 57 THR N N 114.222 0.1 1 168 . 57 THR H H 8.915 0.02 1 169 . 57 THR CA C 58.118 0.1 1 170 . 57 THR CB C 69.181 0.1 1 171 . 60 GLY N N 108.273 0.1 1 172 . 60 GLY H H 9.012 0.02 1 173 . 60 GLY CA C 41.553 0.1 1 174 . 63 ASP N N 115.090 0.1 1 175 . 63 ASP H H 8.638 0.02 1 176 . 63 ASP CA C 52.235 0.1 1 177 . 63 ASP CB C 36.938 0.1 1 178 . 64 SER N N 113.148 0.1 1 179 . 64 SER H H 7.797 0.02 1 180 . 64 SER CA C 55.004 0.1 1 181 . 64 SER CB C 66.016 0.1 1 182 . 65 ALA N N 122.649 0.1 1 183 . 65 ALA H H 9.149 0.02 1 184 . 65 ALA CA C 50.916 0.1 1 185 . 65 ALA CB C 16.299 0.1 1 186 . 66 TYR N N 113.558 0.1 1 187 . 66 TYR H H 7.377 0.02 1 188 . 66 TYR CA C 53.290 0.1 1 189 . 66 TYR CB C 36.080 0.1 1 190 . 67 GLN N N 120.240 0.1 1 191 . 67 GLN H H 7.103 0.02 1 192 . 67 GLN CA C 54.872 0.1 1 193 . 67 GLN CB C 25.794 0.1 1 194 . 68 GLY N N 114.443 0.1 1 195 . 68 GLY H H 9.054 0.02 1 196 . 68 GLY CA C 42.410 0.1 1 197 . 69 GLY N N 105.481 0.1 1 198 . 69 GLY H H 8.290 0.02 1 199 . 69 GLY CA C 42.293 0.1 1 200 . 70 VAL N N 124.470 0.1 1 201 . 70 VAL H H 8.793 0.02 1 202 . 70 VAL CA C 59.766 0.1 1 203 . 70 VAL CB C 30.344 0.1 1 204 . 71 PHE N N 123.903 0.1 1 205 . 71 PHE H H 8.902 0.02 1 206 . 71 PHE CA C 53.964 0.1 1 207 . 71 PHE CB C 38.520 0.1 1 208 . 72 LYS N N 120.818 0.1 1 209 . 72 LYS H H 9.115 0.02 1 210 . 72 LYS CA C 52.433 0.1 1 211 . 72 LYS CB C 30.608 0.1 1 212 . 73 LEU N N 119.817 0.1 1 213 . 73 LEU H H 8.901 0.02 1 214 . 73 LEU CA C 52.235 0.1 1 215 . 73 LEU CB C 42.806 0.1 1 216 . 74 THR N N 112.610 0.1 1 217 . 74 THR H H 9.029 0.02 1 218 . 74 THR CA C 57.459 0.1 1 219 . 74 THR CB C 68.521 0.1 1 220 . 75 VAL N N 120.675 0.1 1 221 . 75 VAL H H 8.047 0.02 1 222 . 75 VAL CA C 57.591 0.1 1 223 . 75 VAL CB C 31.663 0.1 1 224 . 76 HIS N N 124.770 0.1 1 225 . 76 HIS H H 8.863 0.02 1 226 . 76 HIS CA C 50.850 0.1 1 227 . 76 HIS CB C 29.157 0.1 1 228 . 77 PHE N N 126.004 0.1 1 229 . 77 PHE H H 8.905 0.02 1 230 . 77 PHE CA C 53.620 0.1 1 231 . 77 PHE CB C 37.531 0.1 1 232 . 79 THR N N 110.073 0.1 1 233 . 79 THR H H 8.417 0.02 1 234 . 79 THR CA C 62.323 0.1 1 235 . 79 THR CB C 66.016 0.1 1 236 . 80 ASP N N 112.783 0.1 1 237 . 80 ASP H H 8.087 0.02 1 238 . 80 ASP CA C 49.268 0.1 1 239 . 80 ASP CB C 36.146 0.1 1 240 . 81 TYR N N 123.243 0.1 1 241 . 81 TYR H H 7.514 0.02 1 242 . 81 TYR CA C 55.466 0.1 1 243 . 81 TYR CB C 37.333 0.1 1 244 . 83 SER N N 120.818 0.1 1 245 . 83 SER H H 8.996 0.02 1 246 . 83 SER CA C 59.173 0.1 1 247 . 83 SER CB C 60.675 0.1 1 248 . 84 LYS N N 118.116 0.1 1 249 . 84 LYS H H 6.798 0.02 1 250 . 84 LYS CA C 49.334 0.1 1 251 . 84 LYS CB C 31.794 0.1 1 252 . 87 LYS N N 119.401 0.1 1 253 . 87 LYS CA C 52.433 0.1 1 254 . 87 LYS CB C 30.080 0.1 1 255 . 88 ILE N N 127.388 0.1 1 256 . 88 ILE H H 8.720 0.02 1 257 . 88 ILE CA C 56.799 0.1 1 258 . 88 ILE CB C 37.333 0.1 1 259 . 89 ALA N N 126.538 0.1 1 260 . 89 ALA H H 8.101 0.02 1 261 . 89 ALA CA C 52.103 0.1 1 262 . 89 ALA CB C 19.530 0.1 1 263 . 90 PHE N N 121.218 0.1 1 264 . 90 PHE H H 9.669 0.02 1 265 . 90 PHE CB C 37.399 0.1 1 266 . 91 THR N N 115.766 0.1 1 267 . 91 THR H H 9.410 0.02 1 268 . 91 THR CA C 60.477 0.1 1 269 . 91 THR CB C 65.752 0.1 1 270 . 92 THR N N 120.601 0.1 1 271 . 92 THR H H 7.360 0.02 1 272 . 92 THR CA C 60.741 0.1 1 273 . 92 THR CB C 68.324 0.1 1 274 . 93 LYS N N 127.455 0.1 1 275 . 93 LYS H H 8.424 0.02 1 276 . 93 LYS CA C 55.070 0.1 1 277 . 93 LYS CB C 30.080 0.1 1 278 . 94 ILE N N 119.085 0.1 1 279 . 94 ILE H H 8.259 0.02 1 280 . 94 ILE CA C 57.840 0.1 1 281 . 94 ILE CB C 38.256 0.1 1 282 . 95 TYR N N 100.093 0.1 1 283 . 95 TYR H H 8.583 0.02 1 284 . 95 TYR CA C 55.004 0.1 1 285 . 95 TYR CB C 35.223 0.1 1 286 . 96 HIS N N 128.939 0.1 1 287 . 96 HIS H H 8.483 0.02 1 288 . 96 HIS CA C 53.356 0.1 1 289 . 96 HIS CB C 32.783 0.1 1 290 . 98 ASN N N 117.492 0.1 1 291 . 98 ASN H H 11.386 0.02 1 292 . 98 ASN CA C 51.773 0.1 1 293 . 98 ASN CB C 39.179 0.1 1 294 . 99 ILE N N 119.084 0.1 1 295 . 99 ILE H H 6.996 0.02 1 296 . 99 ILE CA C 57.246 0.1 1 297 . 99 ILE CB C 39.179 0.1 1 298 . 100 ASN N N 120.301 0.1 1 299 . 100 ASN H H 7.833 0.02 1 300 . 100 ASN CA C 48.147 0.1 1 301 . 100 ASN CB C 37.201 0.1 1 302 . 101 SER N N 112.827 0.1 1 303 . 101 SER H H 8.567 0.02 1 304 . 101 SER CA C 58.235 0.1 1 305 . 101 SER CB C 60.411 0.1 1 306 . 102 ASN N N 117.717 0.1 1 307 . 102 ASN H H 7.497 0.02 1 308 . 102 ASN CA C 50.718 0.1 1 309 . 102 ASN CB C 36.278 0.1 1 310 . 103 GLY N N 109.184 0.1 1 311 . 103 GLY H H 8.334 0.02 1 312 . 103 GLY CA C 43.282 0.1 1 313 . 104 SER N N 114.546 0.1 1 314 . 104 SER H H 7.648 0.02 1 315 . 104 SER CA C 56.323 0.1 1 316 . 104 SER CB C 60.675 0.1 1 317 . 105 ILE N N 119.348 0.1 1 318 . 105 ILE H H 8.451 0.02 1 319 . 105 ILE CA C 56.851 0.1 1 320 . 105 ILE CB C 38.850 0.1 1 321 . 106 CYS N N 126.605 0.1 1 322 . 106 CYS H H 8.555 0.02 1 323 . 106 CYS CA C 54.807 0.1 1 324 . 106 CYS CB C 23.816 0.1 1 325 . 107 LEU N N 125.854 0.1 1 326 . 107 LEU H H 7.217 0.02 1 327 . 107 LEU CA C 51.246 0.1 1 328 . 107 LEU CB C 43.136 0.1 1 329 . 108 ASP N N 128.239 0.1 1 330 . 108 ASP H H 9.192 0.02 1 331 . 108 ASP CA C 55.862 0.1 1 332 . 108 ASP CB C 36.740 0.1 1 333 . 109 ILE N N 115.316 0.1 1 334 . 109 ILE H H 8.256 0.02 1 335 . 109 ILE CA C 61.679 0.1 1 336 . 109 ILE CB C 35.091 0.1 1 337 . 110 LEU N N 112.707 0.1 1 338 . 110 LEU H H 7.082 0.02 1 339 . 110 LEU CA C 51.444 0.1 1 340 . 110 LEU CB C 39.048 0.1 1 341 . 111 ARG N N 120.535 0.1 1 342 . 111 ARG H H 7.792 0.02 1 343 . 111 ARG CA C 53.568 0.1 1 344 . 111 ARG CB C 28.300 0.1 1 345 . 112 SER N N 116.835 0.1 1 346 . 112 SER H H 8.187 0.02 1 347 . 112 SER CA C 58.499 0.1 1 348 . 112 SER CB C 60.873 0.1 1 349 . 113 GLN N N 116.414 0.1 1 350 . 113 GLN H H 7.749 0.02 1 351 . 113 GLN CA C 51.707 0.1 1 352 . 113 GLN CB C 25.464 0.1 1 353 . 114 TRP N N 120.177 0.1 1 354 . 114 TRP H H 7.283 0.02 1 355 . 114 TRP CA C 56.521 0.1 1 356 . 114 TRP CB C 27.443 0.1 1 357 . 115 SER N N 119.798 0.1 1 358 . 115 SER H H 5.477 0.02 1 359 . 115 SER CA C 51.707 0.1 1 360 . 115 SER CB C 62.521 0.1 1 361 . 117 ALA N N 117.497 0.1 1 362 . 117 ALA H H 7.148 0.02 1 363 . 117 ALA CA C 50.059 0.1 1 364 . 117 ALA CB C 16.233 0.1 1 365 . 118 LEU N N 118.524 0.1 1 366 . 118 LEU H H 7.267 0.02 1 367 . 118 LEU CA C 52.103 0.1 1 368 . 118 LEU CB C 39.509 0.1 1 369 . 119 THR N N 101.236 0.1 1 370 . 119 THR H H 6.061 0.02 1 371 . 119 THR CA C 55.334 0.1 1 372 . 119 THR CB C 69.972 0.1 1 373 . 120 VAL N N 122.336 0.1 1 374 . 120 VAL H H 10.180 0.02 1 375 . 120 VAL CA C 64.763 0.1 1 376 . 120 VAL CB C 28.102 0.1 1 377 . 122 LYS N N 118.617 0.1 1 378 . 122 LYS H H 7.572 0.02 1 379 . 122 LYS CA C 56.437 0.1 1 380 . 122 LYS CB C 29.750 0.1 1 381 . 123 VAL N N 121.019 0.1 1 382 . 123 VAL H H 8.426 0.02 1 383 . 123 VAL CA C 64.200 0.1 1 384 . 123 VAL CB C 28.564 0.1 1 385 . 124 LEU N N 118.534 0.1 1 386 . 124 LEU H H 8.813 0.02 1 387 . 124 LEU CA C 55.678 0.1 1 388 . 124 LEU CB C 37.663 0.1 1 389 . 125 LEU N N 119.238 0.1 1 390 . 125 LEU H H 8.063 0.02 1 391 . 125 LEU CA C 55.744 0.1 1 392 . 125 LEU CB C 38.586 0.1 1 393 . 126 SER N N 116.616 0.1 1 394 . 126 SER H H 8.003 0.02 1 395 . 126 SER CA C 59.832 0.1 1 396 . 127 ILE N N 123.477 0.1 1 397 . 127 ILE H H 8.396 0.02 1 398 . 127 ILE CA C 63.498 0.1 1 399 . 127 ILE CB C 34.762 0.1 1 400 . 128 CYS N N 118.219 0.1 1 401 . 128 CYS H H 8.203 0.02 1 402 . 128 CYS CA C 62.917 0.1 1 403 . 128 CYS CB C 23.882 0.1 1 404 . 129 SER N N 113.506 0.1 1 405 . 129 SER H H 8.061 0.02 1 406 . 129 SER CA C 59.012 0.1 1 407 . 129 SER CB C 60.411 0.1 1 408 . 130 LEU N N 123.153 0.1 1 409 . 130 LEU H H 7.746 0.02 1 410 . 130 LEU CB C 39.575 0.1 1 411 . 130 LEU CA C 53.502 0.1 1 412 . 131 LEU N N 118.550 0.1 1 413 . 131 LEU H H 7.885 0.02 1 414 . 131 LEU CB C 37.663 0.1 1 415 . 131 LEU CA C 56.059 0.1 1 416 . 132 CYS N N 113.230 0.1 1 417 . 132 CYS H H 7.150 0.02 1 418 . 132 CYS CA C 59.422 0.1 1 419 . 132 CYS CB C 25.135 0.1 1 420 . 133 ASP N N 117.648 0.1 1 421 . 133 ASP H H 8.087 0.02 1 422 . 133 ASP CA C 49.466 0.1 1 423 . 133 ASP CB C 39.443 0.1 1 424 . 135 ASN N N 114.486 0.1 1 425 . 135 ASN H H 8.528 0.02 1 426 . 135 ASN CA C 46.564 0.1 1 427 . 135 ASN CB C 36.212 0.1 1 428 . 137 ASP N N 116.933 0.1 1 429 . 137 ASP H H 7.585 0.02 1 430 . 137 ASP CA C 52.762 0.1 1 431 . 137 ASP CB C 37.993 0.1 1 432 . 138 ASP N N 117.261 0.1 1 433 . 138 ASP H H 6.604 0.02 1 434 . 138 ASP CA C 49.070 0.1 1 435 . 138 ASP CB C 38.256 0.1 1 436 . 140 LEU N N 118.200 0.1 1 437 . 140 LEU H H 8.505 0.02 1 438 . 140 LEU CA C 52.762 0.1 1 439 . 140 LEU CB C 41.026 0.1 1 440 . 141 VAL N N 117.416 0.1 1 441 . 141 VAL H H 7.465 0.02 1 442 . 141 VAL CA C 56.338 0.1 1 443 . 141 VAL CB C 28.959 0.1 1 444 . 143 ASP N N 115.799 0.1 1 445 . 143 ASP H H 9.038 0.02 1 446 . 143 ASP CA C 54.426 0.1 1 447 . 143 ASP CB C 36.938 0.1 1 448 . 144 ILE N N 117.981 0.1 1 449 . 144 ILE H H 6.796 0.02 1 450 . 144 ILE CA C 62.389 0.1 1 451 . 144 ILE CB C 35.553 0.1 1 452 . 145 ALA N N 120.906 0.1 1 453 . 145 ALA H H 7.663 0.02 1 454 . 145 ALA CA C 52.960 0.1 1 455 . 145 ALA CB C 15.904 0.1 1 456 . 146 GLN N N 114.476 0.1 1 457 . 146 GLN H H 7.895 0.02 1 458 . 146 GLN CA C 56.059 0.1 1 459 . 146 GLN CB C 25.201 0.1 1 460 . 147 ILE N N 121.085 0.1 1 461 . 147 ILE H H 7.456 0.02 1 462 . 147 ILE CA C 61.928 0.1 1 463 . 147 ILE CB C 35.157 0.1 1 464 . 148 TYR N N 118.100 0.1 1 465 . 148 TYR H H 8.398 0.02 1 466 . 148 TYR CA C 59.950 0.1 1 467 . 148 TYR CB C 35.355 0.1 1 468 . 149 LYS N N 111.073 0.1 1 469 . 149 LYS H H 7.525 0.02 1 470 . 149 LYS CA C 56.125 0.1 1 471 . 149 LYS CB C 30.476 0.1 1 472 . 150 SER N N 111.712 0.1 1 473 . 150 SER H H 7.803 0.02 1 474 . 150 SER CA C 57.378 0.1 1 475 . 150 SER CB C 62.587 0.1 1 476 . 151 ASP N N 123.753 0.1 1 477 . 151 ASP H H 8.950 0.02 1 478 . 151 ASP CA C 50.784 0.1 1 479 . 151 ASP CB C 38.124 0.1 1 480 . 152 LYS N N 124.119 0.1 1 481 . 152 LYS H H 8.583 0.02 1 482 . 152 LYS CA C 56.389 0.1 1 483 . 152 LYS CB C 29.289 0.1 1 484 . 153 GLU N N 116.633 0.1 1 485 . 153 GLU H H 8.155 0.02 1 486 . 153 GLU CA C 56.587 0.1 1 487 . 153 GLU CB C 26.058 0.1 1 488 . 154 LYS N N 122.120 0.1 1 489 . 154 LYS H H 7.524 0.02 1 490 . 154 LYS CA C 56.719 0.1 1 491 . 154 LYS CB C 29.487 0.1 1 492 . 155 TYR N N 118.067 0.1 1 493 . 155 TYR H H 8.166 0.02 1 494 . 155 TYR CA C 59.752 0.1 1 495 . 155 TYR CB C 35.289 0.1 1 496 . 156 ASN N N 116.849 0.1 1 497 . 156 ASN H H 8.627 0.02 1 498 . 156 ASN CA C 53.041 0.1 1 499 . 156 ASN CB C 35.289 0.1 1 500 . 157 ARG N N 119.506 0.1 1 501 . 157 ARG H H 7.864 0.02 1 502 . 157 ARG CA C 57.297 0.1 1 503 . 157 ARG CB C 26.953 0.1 1 504 . 158 HIS N N 117.333 0.1 1 505 . 158 HIS H H 7.772 0.02 1 506 . 158 HIS CA C 55.261 0.1 1 507 . 158 HIS CB C 24.851 0.1 1 508 . 159 ALA N N 120.711 0.1 1 509 . 159 ALA H H 8.462 0.02 1 510 . 159 ALA CA C 52.962 0.1 1 511 . 159 ALA CB C 14.802 0.1 1 512 . 160 ARG N N 120.771 0.1 1 513 . 160 ARG H H 8.445 0.02 1 514 . 160 ARG CA C 56.969 0.1 1 515 . 160 ARG CB C 27.478 0.1 1 516 . 161 GLU N N 121.011 0.1 1 517 . 161 GLU CA C 57.034 0.1 1 518 . 161 GLU CB C 26.493 0.1 1 519 . 162 TRP N N 118.417 0.1 1 520 . 162 TRP H H 9.081 0.02 1 521 . 162 TRP CA C 58.646 0.1 1 522 . 162 TRP CB C 26.559 0.1 1 523 . 163 THR N N 123.737 0.1 1 524 . 163 THR H H 8.403 0.02 1 525 . 163 THR CA C 66.361 0.1 1 526 . 163 THR CB C 65.113 0.1 1 527 . 164 GLN N N 118.425 0.1 1 528 . 164 GLN H H 7.977 0.02 1 529 . 164 GLN CA C 55.589 0.1 1 530 . 164 GLN CB C 25.574 0.1 1 531 . 165 LYS N N 114.849 0.1 1 532 . 165 LYS H H 7.795 0.02 1 533 . 165 LYS CA C 56.049 0.1 1 534 . 165 LYS CB C 30.697 0.1 1 535 . 166 TYR N N 111.280 0.1 1 536 . 166 TYR H H 7.877 0.02 1 537 . 166 TYR CA C 55.524 0.1 1 538 . 166 TYR CB C 38.053 0.1 1 539 . 167 ALA N N 122.319 0.1 1 540 . 167 ALA H H 8.088 0.02 1 541 . 167 ALA CA C 48.824 0.1 1 542 . 167 ALA CB C 18.809 0.1 1 543 . 168 MET N N 121.919 0.1 1 544 . 168 MET H H 7.210 0.02 1 545 . 168 MET CA C 54.407 0.1 1 546 . 168 MET CB C 32.273 0.1 1 stop_ save_