data_6828 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for MazF(E24A) ; _BMRB_accession_number 6828 _BMRB_flat_file_name bmr6828.str _Entry_type original _Submission_date 2005-09-19 _Accession_date 2005-09-19 _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 Li Guang-Yao . . 2 Zhang Yonglong . . 3 Chan Mitchell . . 4 Mal Tapas K. . 5 Hoeflich Klaus P. . 6 Inouye Masayori . . 7 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 104 "13C chemical shifts" 214 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-20 original author . stop_ _Original_release_date 2006-04-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Characterization of dual substrate binding sites in the homodimeric structure of Escherichia coli mRNA interferase MazF ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16413577 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Guang-Yao . . 2 Zhang Yonglong . . 3 Chan Mitchell . . 4 Mal Tapas K. . 5 Hoeflich Klaus P. . 6 Inouye Masayori . . 7 Ikura Mitsuhiko . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 375 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 139 _Page_last 150 _Year 2006 _Details . loop_ _Keyword 'addiction module' MazE MazF 'mRNA interferase' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MazF homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'apo-MazF, subunit 1' $apo-MazF 'apo-MazF, subunit 2' $apo-MazF stop_ _System_molecular_weight 24642 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'apo-MazF as a symmetric homodimer molecular assembly in solution' save_ ######################## # Monomeric polymers # ######################## save_apo-MazF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MazF(E24A) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSHMVSRYVPDMGDLIWVDF DPTKGSAQAGHRPAVVLSPF MYNNKTGMCLCVPCTTQSKG YPFEVVLSGQERDGVALADQ VKSIAWRARGATKKGTVAPE ELQLIKAKINVLIG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 VAL 6 3 SER 7 4 ARG 8 5 TYR 9 6 VAL 10 7 PRO 11 8 ASP 12 9 MET 13 10 GLY 14 11 ASP 15 12 LEU 16 13 ILE 17 14 TRP 18 15 VAL 19 16 ASP 20 17 PHE 21 18 ASP 22 19 PRO 23 20 THR 24 21 LYS 25 22 GLY 26 23 SER 27 24 ALA 28 25 GLN 29 26 ALA 30 27 GLY 31 28 HIS 32 29 ARG 33 30 PRO 34 31 ALA 35 32 VAL 36 33 VAL 37 34 LEU 38 35 SER 39 36 PRO 40 37 PHE 41 38 MET 42 39 TYR 43 40 ASN 44 41 ASN 45 42 LYS 46 43 THR 47 44 GLY 48 45 MET 49 46 CYS 50 47 LEU 51 48 CYS 52 49 VAL 53 50 PRO 54 51 CYS 55 52 THR 56 53 THR 57 54 GLN 58 55 SER 59 56 LYS 60 57 GLY 61 58 TYR 62 59 PRO 63 60 PHE 64 61 GLU 65 62 VAL 66 63 VAL 67 64 LEU 68 65 SER 69 66 GLY 70 67 GLN 71 68 GLU 72 69 ARG 73 70 ASP 74 71 GLY 75 72 VAL 76 73 ALA 77 74 LEU 78 75 ALA 79 76 ASP 80 77 GLN 81 78 VAL 82 79 LYS 83 80 SER 84 81 ILE 85 82 ALA 86 83 TRP 87 84 ARG 88 85 ALA 89 86 ARG 90 87 GLY 91 88 ALA 92 89 THR 93 90 LYS 94 91 LYS 95 92 GLY 96 93 THR 97 94 VAL 98 95 ALA 99 96 PRO 100 97 GLU 101 98 GLU 102 99 LEU 103 100 GLN 104 101 LEU 105 102 ILE 106 103 LYS 107 104 ALA 108 105 LYS 109 106 ILE 110 107 ASN 111 108 VAL 112 109 LEU 113 110 ILE 114 111 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1UB4 "Crystal Structure Of Mazef Complex" 96.49 110 99.09 99.09 3.21e-74 PDB 3NFC "Crystal Structure Of E.Coli Mazf Toxin" 97.37 111 99.10 99.10 4.12e-75 DBJ BAA03918 "ChpAK [Escherichia coli]" 97.37 111 99.10 99.10 4.12e-75 DBJ BAB37065 "PemK-like cell growth regulatory protein ChpA [Escherichia coli O157:H7 str. Sakai]" 97.37 111 99.10 99.10 4.12e-75 DBJ BAE76856 "toxin of the ChpA-ChpR toxin-antitoxin system, endoribonuclease [Escherichia coli str. K-12 substr. W3110]" 97.37 111 99.10 99.10 4.12e-75 DBJ BAG78564 "putative growth inhibitor protein [Escherichia coli SE11]" 97.37 111 98.20 98.20 1.14e-73 DBJ BAI27043 "toxin ChpA [Escherichia coli O26:H11 str. 11368]" 97.37 111 98.20 98.20 1.14e-73 EMBL CAP77215 "PemK-like protein 1 [Escherichia coli LF82]" 97.37 111 98.20 98.20 2.72e-74 EMBL CAQ33106 "MazF toxin of the MazF-MazE toxin-antitoxin system that exhibits ribonuclease activity, subunit of MazE-MazF complex [Escherich" 97.37 111 99.10 99.10 4.12e-75 EMBL CAQ87850 "toxin of the ChpA-ChpR toxin-antitoxin system, endoribonuclease [Escherichia fergusonii ATCC 35469]" 97.37 111 98.20 98.20 3.10e-74 EMBL CAQ99710 "toxin of the ChpA-ChpR toxin-antitoxin system, endoribonuclease [Escherichia coli IAI1]" 97.37 111 98.20 98.20 1.14e-73 EMBL CAR04292 "toxin of the ChpA-ChpR toxin-antitoxin system, endoribonuclease [Escherichia coli S88]" 97.37 111 98.20 98.20 2.72e-74 GB AAA03239 "homologous to plasmid R100 pemK gene [Escherichia coli]" 97.37 111 99.10 99.10 4.12e-75 GB AAA69292 "pemK-like protein 1 [Escherichia coli str. K-12 substr. MG1655]" 97.37 111 99.10 99.10 4.12e-75 GB AAC75824 "mRNA interferase toxin, antitoxin is MazE [Escherichia coli str. K-12 substr. MG1655]" 97.37 111 99.10 99.10 4.12e-75 GB AAG57895 "probable growth inhibitor, PemK-like, autoregulated [Escherichia coli O157:H7 str. EDL933]" 97.37 111 99.10 99.10 4.12e-75 GB AAZ89538 "probable growth inhibitor, PemK-like, autoregulated [Shigella sonnei Ss046]" 97.37 111 99.10 99.10 4.12e-75 REF NP_289336 "toxin ChpA [Escherichia coli O157:H7 str. EDL933]" 97.37 111 99.10 99.10 4.12e-75 REF NP_311669 "toxin ChpA [Escherichia coli O157:H7 str. Sakai]" 97.37 111 99.10 99.10 4.12e-75 REF NP_417262 "mRNA interferase toxin, antitoxin is MazE [Escherichia coli str. K-12 substr. MG1655]" 97.37 111 99.10 99.10 4.12e-75 REF WP_000254731 "toxin [Escherichia coli]" 97.37 111 97.30 97.30 8.38e-73 REF WP_000254732 "toxin [Escherichia fergusonii]" 97.37 111 98.20 98.20 3.10e-74 SP P0AE70 "RecName: Full=mRNA interferase MazF; AltName: Full=Endoribonuclease MazF; AltName: Full=Toxin MazF [Escherichia coli K-12]" 97.37 111 99.10 99.10 4.12e-75 SP P0AE71 "RecName: Full=mRNA interferase MazF; AltName: Full=Endoribonuclease MazF; AltName: Full=Toxin MazF [Escherichia coli O157:H7]" 97.37 111 99.10 99.10 4.12e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apo-MazF 'E. coli' 562 Eubacteria . Escherichia coli 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 $apo-MazF 'recombinant technology' 'E. coli' . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $apo-MazF 1.0 mM 0.5 1.5 '[U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XEASY _Version 1.13 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity/Inova600 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.05 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N_HSQC CBCACONNH HNCACB stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'apo-MazF, subunit 1' _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 0 3 HIS CA C 56.368 0.000 1 2 0 3 HIS CB C 30.648 0.000 1 3 1 4 MET H H 8.334 0.000 1 4 1 4 MET CA C 55.428 0.000 1 5 1 4 MET CB C 32.886 0.000 1 6 1 4 MET N N 122.132 0.003 1 7 2 5 VAL H H 8.222 0.000 1 8 2 5 VAL CA C 62.335 0.000 1 9 2 5 VAL CB C 32.868 0.000 1 10 2 5 VAL N N 122.057 0.004 1 11 3 6 SER H H 8.489 0.000 1 12 3 6 SER CA C 58.159 0.000 1 13 3 6 SER CB C 63.850 0.000 1 14 3 6 SER N N 119.589 0.000 1 15 4 7 ARG H H 8.519 0.000 1 16 4 7 ARG CA C 55.826 0.000 1 17 4 7 ARG CB C 30.804 0.000 1 18 4 7 ARG N N 123.845 0.003 1 19 5 8 TYR H H 8.273 0.000 1 20 5 8 TYR CA C 58.199 0.000 1 21 5 8 TYR CB C 38.731 0.000 1 22 5 8 TYR N N 122.682 0.000 1 23 6 9 VAL H H 7.279 0.000 1 24 6 9 VAL CA C 57.531 0.000 1 25 6 9 VAL CB C 34.913 0.000 1 26 6 9 VAL N N 130.628 0.004 1 27 7 10 PRO CA C 62.139 0.000 1 28 7 10 PRO CB C 32.863 0.000 1 29 8 11 ASP H H 8.082 0.000 1 30 8 11 ASP CA C 50.286 0.000 1 31 8 11 ASP CB C 44.713 0.000 1 32 8 11 ASP N N 121.105 0.003 1 33 9 12 MET H H 8.580 0.000 1 34 9 12 MET CA C 56.938 0.000 1 35 9 12 MET CB C 33.358 0.020 1 36 9 12 MET N N 121.865 0.003 1 37 10 13 GLY H H 9.477 0.000 1 38 10 13 GLY CA C 45.178 0.000 1 39 10 13 GLY N N 115.211 0.003 1 40 11 14 ASP H H 8.156 0.000 1 41 11 14 ASP CA C 55.376 0.000 1 42 11 14 ASP CB C 40.550 0.000 1 43 11 14 ASP N N 120.197 0.005 1 44 12 15 LEU H H 8.505 0.000 1 45 12 15 LEU CA C 53.386 0.011 1 46 12 15 LEU CB C 44.457 0.014 1 47 12 15 LEU N N 123.610 0.004 1 48 13 16 ILE H H 9.403 0.000 1 49 13 16 ILE CA C 58.749 0.000 1 50 13 16 ILE CB C 42.102 0.000 1 51 13 16 ILE N N 117.997 0.006 1 52 14 17 TRP H H 8.921 0.000 1 53 14 17 TRP CA C 55.395 0.000 1 54 14 17 TRP CB C 31.386 0.000 1 55 14 17 TRP N N 120.252 0.000 1 56 15 18 VAL H H 8.685 0.000 1 57 15 18 VAL CA C 60.368 0.000 1 58 15 18 VAL CB C 34.801 0.000 1 59 15 18 VAL N N 119.915 0.005 1 60 16 19 ASP H H 8.364 0.000 1 61 16 19 ASP CA C 54.835 0.000 1 62 16 19 ASP CB C 40.106 0.000 1 63 16 19 ASP N N 121.804 0.002 1 64 17 20 PHE H H 8.030 0.000 1 65 17 20 PHE CA C 57.724 0.000 1 66 17 20 PHE CB C 40.642 0.000 1 67 17 20 PHE N N 121.135 0.000 1 68 18 21 ASP H H 8.332 0.000 1 69 18 21 ASP CA C 50.730 0.000 1 70 18 21 ASP CB C 41.503 0.000 1 71 18 21 ASP N N 123.345 0.000 1 72 19 22 PRO CA C 63.748 0.000 1 73 19 22 PRO CB C 32.086 0.000 1 74 20 23 THR H H 8.253 0.000 1 75 20 23 THR CA C 63.006 0.000 1 76 20 23 THR CB C 69.478 0.000 1 77 20 23 THR N N 112.124 0.004 1 78 21 24 LYS H H 7.755 0.000 1 79 21 24 LYS CA C 56.224 0.000 1 80 21 24 LYS CB C 32.818 0.010 1 81 21 24 LYS N N 121.566 0.003 1 82 22 25 GLY H H 8.125 0.000 1 83 22 25 GLY CA C 45.534 0.000 1 84 22 25 GLY N N 108.951 0.003 1 85 23 26 SER H H 8.194 0.000 1 86 23 26 SER CA C 58.349 0.000 1 87 23 26 SER CB C 63.891 0.000 1 88 23 26 SER N N 115.433 0.001 1 89 24 27 ALA H H 8.416 0.000 1 90 24 27 ALA CA C 52.740 0.000 1 91 24 27 ALA CB C 18.809 0.000 1 92 24 27 ALA N N 125.641 0.007 1 93 25 28 GLN H H 8.138 0.000 1 94 25 28 GLN CA C 55.862 0.000 1 95 25 28 GLN CB C 29.222 0.003 1 96 25 28 GLN N N 118.089 0.003 1 97 26 29 ALA H H 8.142 0.000 1 98 26 29 ALA CA C 52.740 0.000 1 99 26 29 ALA CB C 19.426 0.000 1 100 26 29 ALA N N 123.799 0.004 1 101 27 30 GLY H H 8.290 0.000 1 102 27 30 GLY CA C 45.190 0.000 1 103 27 30 GLY N N 107.870 0.000 1 104 28 31 HIS H H 7.914 0.000 1 105 28 31 HIS CA C 56.105 0.000 1 106 28 31 HIS CB C 31.019 0.000 1 107 28 31 HIS N N 118.635 0.000 1 108 29 32 ARG H H 8.661 0.000 1 109 29 32 ARG CA C 53.248 0.000 1 110 29 32 ARG CB C 31.150 0.000 1 111 29 32 ARG N N 121.713 0.003 1 112 30 33 PRO CA C 61.518 0.000 1 113 30 33 PRO CB C 32.301 0.000 1 114 31 34 ALA H H 9.119 0.000 1 115 31 34 ALA CA C 50.996 0.000 1 116 31 34 ALA CB C 22.973 0.000 1 117 31 34 ALA N N 122.276 0.005 1 118 32 35 VAL H H 9.138 0.000 1 119 32 35 VAL CA C 61.091 0.000 1 120 32 35 VAL CB C 33.419 0.000 1 121 32 35 VAL N N 119.886 0.003 1 122 33 36 VAL H H 9.181 0.000 1 123 33 36 VAL CA C 63.779 0.000 1 124 33 36 VAL CB C 31.955 0.000 1 125 33 36 VAL N N 128.015 0.003 1 126 34 37 LEU H H 9.421 0.000 1 127 34 37 LEU CA C 54.847 0.000 1 128 34 37 LEU CB C 45.551 0.000 1 129 34 37 LEU N N 125.333 0.000 1 130 35 38 SER H H 7.432 0.000 1 131 35 38 SER CA C 55.150 0.000 1 132 35 38 SER CB C 62.969 0.000 1 133 35 38 SER N N 109.205 0.000 1 134 36 39 PRO CA C 62.688 0.000 1 135 36 39 PRO CB C 33.200 0.000 1 136 37 40 PHE H H 8.649 0.000 1 137 37 40 PHE CA C 62.154 0.000 1 138 37 40 PHE CB C 40.162 0.000 1 139 37 40 PHE N N 121.182 0.003 1 140 38 41 MET H H 9.195 0.000 1 141 38 41 MET CA C 59.383 0.000 1 142 38 41 MET CB C 31.882 0.000 1 143 38 41 MET N N 116.680 0.006 1 144 39 42 TYR H H 7.072 0.000 1 145 39 42 TYR CA C 61.545 0.000 1 146 39 42 TYR CB C 38.870 0.000 1 147 39 42 TYR N N 119.982 0.002 1 148 40 43 ASN H H 8.447 0.000 1 149 40 43 ASN CA C 54.427 0.000 1 150 40 43 ASN CB C 36.717 0.000 1 151 40 43 ASN N N 123.146 0.005 1 152 41 44 ASN H H 9.159 0.000 1 153 41 44 ASN CA C 55.338 0.000 1 154 41 44 ASN CB C 39.657 0.000 1 155 41 44 ASN N N 116.532 0.003 1 156 42 45 LYS H H 7.648 0.000 1 157 42 45 LYS CA C 58.922 0.000 1 158 42 45 LYS CB C 33.020 0.000 1 159 42 45 LYS N N 118.027 0.003 1 160 43 46 THR H H 7.859 0.000 1 161 43 46 THR CA C 62.750 0.000 1 162 43 46 THR CB C 71.404 0.000 1 163 43 46 THR N N 104.124 0.000 1 164 44 47 GLY H H 7.670 0.000 1 165 44 47 GLY CA C 45.922 0.000 1 166 44 47 GLY N N 109.868 0.000 1 167 45 48 MET H H 8.546 0.000 1 168 45 48 MET CA C 52.975 0.000 1 169 45 48 MET CB C 34.515 0.010 1 170 45 48 MET N N 119.599 0.000 1 171 46 49 CYS H H 8.853 0.000 1 172 46 49 CYS CA C 55.946 0.000 1 173 46 49 CYS CB C 30.356 0.000 1 174 46 49 CYS N N 108.101 0.000 1 175 47 50 LEU H H 8.576 0.000 1 176 47 50 LEU CA C 53.735 0.000 1 177 47 50 LEU CB C 44.524 0.000 1 178 47 50 LEU N N 122.149 0.007 1 179 48 51 CYS H H 9.290 0.000 1 180 48 51 CYS CA C 56.043 0.000 1 181 48 51 CYS CB C 33.619 0.000 1 182 48 51 CYS N N 118.907 0.006 1 183 49 52 VAL H H 8.402 0.000 1 184 49 52 VAL CA C 56.861 0.000 1 185 49 52 VAL CB C 31.733 0.000 1 186 49 52 VAL N N 110.761 0.003 1 187 50 53 PRO CA C 62.309 0.000 1 188 50 53 PRO CB C 32.856 0.000 1 189 51 54 CYS H H 7.512 0.000 1 190 51 54 CYS CA C 56.672 0.000 1 191 51 54 CYS CB C 30.828 0.000 1 192 51 54 CYS N N 113.703 0.009 1 193 52 55 THR H H 9.316 0.000 1 194 52 55 THR CA C 59.333 0.000 1 195 52 55 THR CB C 70.516 0.015 1 196 52 55 THR N N 116.520 0.007 1 197 53 56 THR H H 7.961 0.000 1 198 53 56 THR CA C 63.813 0.000 1 199 53 56 THR CB C 69.925 0.000 1 200 53 56 THR N N 114.066 0.000 1 201 54 57 GLN H H 7.948 0.000 1 202 54 57 GLN CA C 54.980 0.000 1 203 54 57 GLN CB C 30.774 0.000 1 204 54 57 GLN N N 119.810 0.000 1 205 55 58 SER H H 8.618 0.000 1 206 55 58 SER CA C 57.271 0.000 1 207 55 58 SER CB C 63.623 0.000 1 208 55 58 SER N N 118.264 0.002 1 209 56 59 LYS H H 10.355 0.000 1 210 56 59 LYS CA C 55.187 0.000 1 211 56 59 LYS CB C 33.868 0.000 1 212 56 59 LYS N N 127.581 0.003 1 213 57 60 GLY H H 8.961 0.000 1 214 57 60 GLY CA C 45.732 0.000 1 215 57 60 GLY N N 111.415 0.000 1 216 58 61 TYR H H 7.271 0.000 1 217 58 61 TYR CA C 54.993 0.000 1 218 58 61 TYR CB C 38.460 0.000 1 219 58 61 TYR N N 122.386 0.000 1 220 59 62 PRO CA C 65.032 0.000 1 221 59 62 PRO CB C 31.844 0.000 1 222 60 63 PHE H H 6.409 0.000 1 223 60 63 PHE CA C 58.172 0.000 1 224 60 63 PHE CB C 38.731 0.000 1 225 60 63 PHE N N 112.078 0.000 1 226 61 64 GLU H H 7.377 0.000 1 227 61 64 GLU CA C 55.991 0.000 1 228 61 64 GLU CB C 30.924 0.000 1 229 61 64 GLU N N 118.520 0.003 1 230 62 65 VAL H H 9.137 0.000 1 231 62 65 VAL CA C 62.246 0.000 1 232 62 65 VAL CB C 35.287 0.000 1 233 62 65 VAL N N 123.090 0.003 1 234 63 66 VAL H H 8.665 0.000 1 235 63 66 VAL CA C 64.176 0.000 1 236 63 66 VAL CB C 32.024 0.000 1 237 63 66 VAL N N 128.888 0.009 1 238 64 67 LEU H H 8.725 0.000 1 239 64 67 LEU CA C 52.655 0.000 1 240 64 67 LEU CB C 41.524 0.000 1 241 64 67 LEU N N 127.519 0.015 1 242 65 68 SER H H 9.413 0.000 1 243 65 68 SER CA C 59.155 0.000 1 244 65 68 SER CB C 64.133 0.000 1 245 65 68 SER N N 120.756 0.003 1 246 66 69 GLY H H 8.943 0.000 1 247 66 69 GLY CA C 45.800 0.016 1 248 66 69 GLY N N 110.709 0.003 1 249 67 70 GLN H H 7.789 0.000 1 250 67 70 GLN CA C 53.578 0.000 1 251 67 70 GLN CB C 28.577 0.000 1 252 67 70 GLN N N 117.572 0.002 1 253 68 71 GLU H H 8.756 0.000 1 254 68 71 GLU CA C 58.160 0.000 1 255 68 71 GLU CB C 29.956 0.000 1 256 68 71 GLU N N 122.982 0.006 1 257 69 72 ARG H H 8.034 0.000 1 258 69 72 ARG CA C 55.299 0.000 1 259 69 72 ARG CB C 32.085 0.000 1 260 69 72 ARG N N 116.498 0.003 1 261 70 73 ASP H H 8.391 0.000 1 262 70 73 ASP CA C 54.770 0.000 1 263 70 73 ASP CB C 40.725 0.000 1 264 70 73 ASP N N 119.168 0.000 1 265 71 74 GLY H H 8.081 0.000 1 266 71 74 GLY CA C 46.060 0.000 1 267 71 74 GLY N N 104.392 0.003 1 268 72 75 VAL H H 8.152 0.000 1 269 72 75 VAL CA C 60.836 0.000 1 270 72 75 VAL CB C 33.745 0.000 1 271 72 75 VAL N N 119.408 0.003 1 272 73 76 ALA H H 9.361 0.000 1 273 73 76 ALA CA C 50.538 0.000 1 274 73 76 ALA CB C 20.337 0.000 1 275 73 76 ALA N N 128.042 0.008 1 276 74 77 LEU H H 8.305 0.000 1 277 74 77 LEU CA C 52.577 0.000 1 278 74 77 LEU CB C 39.699 0.000 1 279 74 77 LEU N N 122.148 0.002 1 280 75 78 ALA H H 8.190 0.000 1 281 75 78 ALA CA C 55.397 0.000 1 282 75 78 ALA CB C 20.890 0.000 1 283 75 78 ALA N N 123.575 0.000 1 284 76 79 ASP H H 8.800 0.000 1 285 76 79 ASP CA C 53.416 0.000 1 286 76 79 ASP CB C 38.151 0.000 1 287 76 79 ASP N N 104.448 0.003 1 288 77 80 GLN H H 7.429 0.000 1 289 77 80 GLN CA C 54.937 0.000 1 290 77 80 GLN CB C 27.569 0.000 1 291 77 80 GLN N N 121.632 0.001 1 292 78 81 VAL H H 6.383 0.000 1 293 78 81 VAL CA C 61.644 0.000 1 294 78 81 VAL CB C 31.748 0.000 1 295 78 81 VAL N N 117.863 0.005 1 296 79 82 LYS H H 8.797 0.000 1 297 79 82 LYS CA C 54.868 0.000 1 298 79 82 LYS CB C 35.923 0.000 1 299 79 82 LYS N N 120.504 0.005 1 300 80 83 SER H H 8.058 0.000 1 301 80 83 SER CA C 56.804 0.000 1 302 80 83 SER CB C 63.033 0.000 1 303 80 83 SER N N 115.833 0.000 1 304 81 84 ILE H H 9.221 0.000 1 305 81 84 ILE CA C 58.688 0.000 1 306 81 84 ILE CB C 41.755 0.019 1 307 81 84 ILE N N 125.074 0.006 1 308 82 85 ALA H H 8.692 0.000 1 309 82 85 ALA CA C 50.555 0.000 1 310 82 85 ALA CB C 16.536 0.000 1 311 82 85 ALA N N 130.611 0.010 1 312 83 86 TRP H H 7.409 0.000 1 313 83 86 TRP CA C 59.279 0.000 1 314 83 86 TRP CB C 27.750 0.000 1 315 83 86 TRP N N 122.838 0.001 1 316 84 87 ARG H H 6.050 0.000 1 317 84 87 ARG CA C 59.820 0.000 1 318 84 87 ARG CB C 28.929 0.000 1 319 84 87 ARG N N 124.273 0.010 1 320 85 88 ALA H H 8.130 0.000 1 321 85 88 ALA CA C 54.306 0.000 1 322 85 88 ALA CB C 18.543 0.000 1 323 85 88 ALA N N 122.682 0.000 1 324 86 89 ARG H H 7.671 0.000 1 325 86 89 ARG CA C 56.331 0.000 1 326 86 89 ARG CB C 31.148 0.000 1 327 86 89 ARG N N 112.781 0.005 1 328 87 90 GLY H H 7.764 0.000 1 329 87 90 GLY CA C 46.130 0.000 1 330 87 90 GLY N N 109.205 0.000 1 331 88 91 ALA H H 8.404 0.000 1 332 88 91 ALA CA C 52.379 0.000 1 333 88 91 ALA CB C 22.177 0.000 1 334 88 91 ALA N N 121.120 0.004 1 335 89 92 THR H H 8.440 0.000 1 336 89 92 THR CA C 60.385 0.000 1 337 89 92 THR CB C 71.851 0.000 1 338 89 92 THR N N 114.067 0.003 1 339 90 93 LYS H H 8.249 0.000 1 340 90 93 LYS CA C 57.612 0.000 1 341 90 93 LYS CB C 32.563 0.000 1 342 90 93 LYS N N 125.995 0.000 1 343 91 94 LYS H H 9.327 0.000 1 344 91 94 LYS CA C 54.967 0.000 1 345 91 94 LYS CB C 33.110 0.000 1 346 91 94 LYS N N 127.913 0.003 1 347 92 95 GLY H H 7.728 0.000 1 348 92 95 GLY CA C 45.414 0.000 1 349 92 95 GLY N N 107.243 0.005 1 350 93 96 THR H H 8.517 0.000 1 351 93 96 THR CA C 60.872 0.011 1 352 93 96 THR CB C 72.415 0.000 1 353 93 96 THR N N 114.569 0.004 1 354 94 97 VAL H H 8.664 0.000 1 355 94 97 VAL CA C 59.820 0.000 1 356 94 97 VAL CB C 31.919 0.000 1 357 94 97 VAL N N 117.159 0.000 1 358 95 98 ALA H H 8.549 0.000 1 359 95 98 ALA CA C 50.613 0.000 1 360 95 98 ALA CB C 17.546 0.000 1 361 95 98 ALA N N 125.803 0.000 1 362 96 99 PRO CA C 65.904 0.000 1 363 96 99 PRO CB C 31.610 0.000 1 364 97 100 GLU H H 9.650 0.000 1 365 97 100 GLU CA C 59.793 0.000 1 366 97 100 GLU CB C 28.564 0.000 1 367 97 100 GLU N N 116.055 0.005 1 368 98 101 GLU H H 7.278 0.000 1 369 98 101 GLU CA C 58.663 0.000 1 370 98 101 GLU CB C 28.706 0.000 1 371 98 101 GLU N N 120.210 0.002 1 372 99 102 LEU H H 7.833 0.000 1 373 99 102 LEU CA C 57.815 0.000 1 374 99 102 LEU CB C 41.593 0.000 1 375 99 102 LEU N N 120.031 0.000 1 376 100 103 GLN H H 8.191 0.000 1 377 100 103 GLN CA C 58.543 0.000 1 378 100 103 GLN CB C 28.207 0.007 1 379 100 103 GLN N N 115.879 0.004 1 380 101 104 LEU H H 7.604 0.000 1 381 101 104 LEU CA C 57.793 0.000 1 382 101 104 LEU CB C 42.050 0.000 1 383 101 104 LEU N N 121.577 0.000 1 384 102 105 ILE H H 8.120 0.000 1 385 102 105 ILE CA C 66.175 0.000 1 386 102 105 ILE CB C 38.369 0.000 1 387 102 105 ILE N N 118.971 0.003 1 388 103 106 LYS H H 8.126 0.000 1 389 103 106 LYS CA C 60.952 0.000 1 390 103 106 LYS CB C 32.979 0.000 1 391 103 106 LYS N N 116.733 0.003 1 392 104 107 ALA H H 8.469 0.000 1 393 104 107 ALA CA C 55.124 0.000 1 394 104 107 ALA CB C 18.058 0.000 1 395 104 107 ALA N N 122.221 0.005 1 396 105 108 LYS H H 8.029 0.000 1 397 105 108 LYS CA C 59.359 0.000 1 398 105 108 LYS CB C 33.011 0.003 1 399 105 108 LYS N N 118.020 0.005 1 400 106 109 ILE H H 7.880 0.000 1 401 106 109 ILE CA C 65.861 0.000 1 402 106 109 ILE CB C 38.040 0.000 1 403 106 109 ILE N N 119.114 0.005 1 404 107 110 ASN H H 8.263 0.000 1 405 107 110 ASN CA C 56.518 0.000 1 406 107 110 ASN CB C 39.257 0.014 1 407 107 110 ASN N N 118.081 0.006 1 408 108 111 VAL H H 7.555 0.000 1 409 108 111 VAL CA C 65.587 0.000 1 410 108 111 VAL CB C 31.735 0.000 1 411 108 111 VAL N N 118.323 0.003 1 412 109 112 LEU H H 7.300 0.000 1 413 109 112 LEU CA C 56.803 0.000 1 414 109 112 LEU CB C 43.701 0.000 1 415 109 112 LEU N N 119.368 0.000 1 416 110 113 ILE H H 7.815 0.000 1 417 110 113 ILE CA C 60.883 0.000 1 418 110 113 ILE CB C 39.399 0.000 1 419 110 113 ILE N N 108.101 0.000 1 420 111 114 GLY H H 7.813 0.000 1 421 111 114 GLY CA C 46.640 0.000 1 422 111 114 GLY N N 116.054 0.000 1 stop_ save_