data_6572 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Amide Assignments of the Cytochrome c3 in Fully Oxidized State from D. vulgaris Miyazaki F ; _BMRB_accession_number 6572 _BMRB_flat_file_name bmr6572.str _Entry_type original _Submission_date 2005-03-29 _Accession_date 2005-03-29 _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 Yahata Naoki . . 2 Saitoh Takashi . . 3 Takayama Yuki . . 4 Ozawa Kiyoshi . . 5 Ogata Hideaki . . 6 Higuchi Yoshiki . . 7 Akutsu Hideo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 101 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-29 original author . stop_ _Original_release_date 2007-01-29 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Redox Interaction of Cytochrome c(3) with [NiFe] Hydrogenase from Desulfovibrio vulgaris Miyazaki F. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16460012 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yahata Naoki . . 2 Saitoh Takashi . . 3 Takayama Yuki . . 4 Ozawa Kiyoshi . . 5 Ogata Hideaki . . 6 Higuchi Yoshiki . . 7 Akutsu Hideo . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 45 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1653 _Page_last 1662 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cytochrome c3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cytochrome c3' $Cyt_c3 'PROTOPORPHYRIN IX CONTAINING FE 1' $HEM 'PROTOPORPHYRIN IX CONTAINING FE 2' $HEM 'PROTOPORPHYRIN IX CONTAINING FE 3' $HEM 'PROTOPORPHYRIN IX CONTAINING FE 4' $HEM stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state 'free and other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cyt_c3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cytochrome c3' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; APKAPADGLKMDKTKQPVVF NHSTHKAVKCGDCHHPVNGK EDYQKCATAGCHDNMDKKDK SAKGYYHAMHDKGTKFKSCV GCHLETAGADAAKKKELTGC KGSKCHS ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 LYS 4 ALA 5 PRO 6 ALA 7 ASP 8 GLY 9 LEU 10 LYS 11 MET 12 ASP 13 LYS 14 THR 15 LYS 16 GLN 17 PRO 18 VAL 19 VAL 20 PHE 21 ASN 22 HIS 23 SER 24 THR 25 HIS 26 LYS 27 ALA 28 VAL 29 LYS 30 CYS 31 GLY 32 ASP 33 CYS 34 HIS 35 HIS 36 PRO 37 VAL 38 ASN 39 GLY 40 LYS 41 GLU 42 ASP 43 TYR 44 GLN 45 LYS 46 CYS 47 ALA 48 THR 49 ALA 50 GLY 51 CYS 52 HIS 53 ASP 54 ASN 55 MET 56 ASP 57 LYS 58 LYS 59 ASP 60 LYS 61 SER 62 ALA 63 LYS 64 GLY 65 TYR 66 TYR 67 HIS 68 ALA 69 MET 70 HIS 71 ASP 72 LYS 73 GLY 74 THR 75 LYS 76 PHE 77 LYS 78 SER 79 CYS 80 VAL 81 GLY 82 CYS 83 HIS 84 LEU 85 GLU 86 THR 87 ALA 88 GLY 89 ALA 90 ASP 91 ALA 92 ALA 93 LYS 94 LYS 95 LYS 96 GLU 97 LEU 98 THR 99 GLY 100 CYS 101 LYS 102 GLY 103 SER 104 LYS 105 CYS 106 HIS 107 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_HEM _Saveframe_category ligand _Mol_type non-polymer _Name_common "HEM (PROTOPORPHYRIN IX CONTAINING FE)" _BMRB_code . _PDB_code HEM _Molecular_mass 616.487 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 3 10:49:41 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? NA NA N . 0 . ? NB NB N . 0 . ? NC NC N . 0 . ? ND ND N . 0 . ? FE FE FE . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA HMA H . 0 . ? HMAA HMAA H . 0 . ? HMAB HMAB H . 0 . ? HAA HAA H . 0 . ? HAAA HAAA H . 0 . ? HBA HBA H . 0 . ? HBAA HBAA H . 0 . ? HMB HMB H . 0 . ? HMBA HMBA H . 0 . ? HMBB HMBB H . 0 . ? HAB HAB H . 0 . ? HBB HBB H . 0 . ? HBBA HBBA H . 0 . ? HMC HMC H . 0 . ? HMCA HMCA H . 0 . ? HMCB HMCB H . 0 . ? HAC HAC H . 0 . ? HBC HBC H . 0 . ? HBCA HBCA H . 0 . ? HMD HMD H . 0 . ? HMDA HMDA H . 0 . ? HMDB HMDB H . 0 . ? HAD HAD H . 0 . ? HADA HADA H . 0 . ? HBD HBD H . 0 . ? HBDA HBDA H . 0 . ? H2A H2A H . 0 . ? H2D H2D H . 0 . ? HHA HHA H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING CHA C1A ? ? DOUB CHA C4D ? ? SING CHA HHA ? ? SING CHB C4A ? ? DOUB CHB C1B ? ? SING CHB HHB ? ? SING CHC C4B ? ? DOUB CHC C1C ? ? SING CHC HHC ? ? DOUB CHD C4C ? ? SING CHD C1D ? ? SING CHD HHD ? ? DOUB C1A C2A ? ? SING C1A NA ? ? SING C2A C3A ? ? SING C2A CAA ? ? DOUB C3A C4A ? ? SING C3A CMA ? ? SING C4A NA ? ? SING CMA HMA ? ? SING CMA HMAA ? ? SING CMA HMAB ? ? SING CAA CBA ? ? SING CAA HAA ? ? SING CAA HAAA ? ? SING CBA CGA ? ? SING CBA HBA ? ? SING CBA HBAA ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING C1B C2B ? ? SING C1B NB ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? DOUB C4B NB ? ? SING CMB HMB ? ? SING CMB HMBA ? ? SING CMB HMBB ? ? DOUB CAB CBB ? ? SING CAB HAB ? ? SING CBB HBB ? ? SING CBB HBBA ? ? SING C1C C2C ? ? SING C1C NC ? ? DOUB C2C C3C ? ? SING C2C CMC ? ? SING C3C C4C ? ? SING C3C CAC ? ? SING C4C NC ? ? SING CMC HMC ? ? SING CMC HMCA ? ? SING CMC HMCB ? ? DOUB CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC ? ? SING CBC HBCA ? ? SING C1D C2D ? ? DOUB C1D ND ? ? DOUB C2D C3D ? ? SING C2D CMD ? ? SING C3D C4D ? ? SING C3D CAD ? ? SING C4D ND ? ? SING CMD HMD ? ? SING CMD HMDA ? ? SING CMD HMDB ? ? SING CAD CBD ? ? SING CAD HAD ? ? SING CAD HADA ? ? SING CBD CGD ? ? SING CBD HBD ? ? SING CBD HBDA ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2A H2A ? ? SING O2D H2D ? ? SING FE NA ? ? SING FE NB ? ? SING FE NC ? ? SING FE ND ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Cyt_c3 'D. vulgaris Miyazaki F' 883 Bacteria . Desulfovibrio vulgaris 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 $Cyt_c3 'Purified from natural source and 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 $Cyt_c3 2 mM '[U-90% 15N]' $HEM 8 mM . sodium-phosphate 30 mM . 'deuterium oxide' 10 % . water 90 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600.13 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_1H-15N_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label $sample_1 save_ save_1H-15N_TOCSY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.01 pH stop_ save_ save_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.01 pH temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0 external direct . . . 1 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101342 $citation_1 $citation_1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Cytochrome c3' _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 LYS H H 6.56 0.02 1 2 3 3 LYS N N 117.97 0.05 1 3 4 4 ALA H H 6.56 0.02 1 4 4 4 ALA N N 124.13 0.05 1 5 6 6 ALA H H 8.58 0.02 1 6 6 6 ALA N N 120.99 0.05 1 7 7 7 ASP H H 9.43 0.02 1 8 7 7 ASP N N 122.87 0.05 1 9 8 8 GLY H H 8.99 0.02 1 10 8 8 GLY N N 106.27 0.05 1 11 9 9 LEU H H 7.62 0.02 1 12 9 9 LEU N N 122.47 0.05 1 13 10 10 LYS H H 8.61 0.02 1 14 10 10 LYS N N 125.38 0.05 1 15 11 11 MET H H 8.42 0.02 1 16 11 11 MET N N 128.51 0.05 1 17 12 12 ASP H H 7.57 0.02 1 18 12 12 ASP N N 124.44 0.05 1 19 13 13 LYS H H 9.94 0.02 1 20 13 13 LYS N N 122.25 0.05 1 21 14 14 THR H H 10.35 0.02 1 22 14 14 THR N N 114.73 0.05 1 23 15 15 LYS H H 8.53 0.02 1 24 15 15 LYS N N 115.35 0.05 1 25 16 16 GLN H H 9.3 0.02 1 26 16 16 GLN N N 122.25 0.05 1 27 18 18 VAL H H 7.82 0.02 1 28 18 18 VAL N N 120.63 0.05 1 29 19 19 VAL H H 7.49 0.02 1 30 19 19 VAL N N 125.08 0.05 1 31 20 20 PHE H H 8.98 0.02 1 32 20 20 PHE N N 126.97 0.05 1 33 21 21 ASN H H 9.02 0.02 1 34 21 21 ASN N N 130.39 0.05 1 35 22 22 HIS H H 11.86 0.02 1 36 22 22 HIS N N 128.86 0.05 1 37 23 23 SER H H 11.98 0.02 1 38 23 23 SER N N 122.47 0.05 1 39 24 24 THR H H 8.06 0.02 1 40 24 24 THR N N 112.9 0.05 1 41 25 25 HIS H H 10.3 0.02 1 42 25 25 HIS N N 119.74 0.05 1 43 26 26 LYS H H 8.6 0.02 1 44 26 26 LYS N N 122.62 0.05 1 45 27 27 ALA H H 9.34 0.02 1 46 27 27 ALA N N 120.99 0.05 1 47 28 28 VAL H H 8.68 0.02 1 48 28 28 VAL N N 122.6 0.05 1 49 29 29 LYS H H 8.6 0.02 1 50 29 29 LYS N N 126.45 0.05 1 51 30 30 CYS H H 8.34 0.02 1 52 30 30 CYS N N 117.61 0.05 1 53 31 31 GLY H H 9.23 0.02 1 54 31 31 GLY N N 103.94 0.05 1 55 32 32 ASP H H 8.13 0.02 1 56 32 32 ASP N N 120.56 0.05 1 57 33 33 CYS H H 7.02 0.02 1 58 33 33 CYS N N 114.6 0.05 1 59 34 34 HIS H H 10.58 0.02 1 60 34 34 HIS N N 120.04 0.05 1 61 35 35 HIS H H 8.76 0.02 1 62 35 35 HIS N N 121.07 0.05 1 63 37 37 VAL H H 10.56 0.02 1 64 37 37 VAL N N 127.81 0.05 1 65 38 38 ASN H H 9.97 0.02 1 66 38 38 ASN N N 126.48 0.05 1 67 39 39 GLY H H 9.32 0.02 1 68 39 39 GLY N N 103.39 0.05 1 69 40 40 LYS H H 8.27 0.02 1 70 40 40 LYS N N 120.25 0.05 1 71 41 41 GLU H H 9.73 0.02 1 72 41 41 GLU N N 126.82 0.05 1 73 42 42 ASP H H 9.6 0.02 1 74 42 42 ASP N N 127.3 0.05 1 75 43 43 TYR H H 9.4 0.02 1 76 43 43 TYR N N 123.82 0.05 1 77 44 44 GLN H H 8.91 0.02 1 78 44 44 GLN N N 119.3 0.05 1 79 45 45 LYS H H 8.31 0.02 1 80 45 45 LYS N N 118.14 0.05 1 81 46 46 CYS H H 8.05 0.02 1 82 46 46 CYS N N 120.04 0.05 1 83 47 47 ALA H H 8.26 0.02 1 84 47 47 ALA N N 115.47 0.05 1 85 48 48 THR H H 7.07 0.02 1 86 48 48 THR N N 116.77 0.05 1 87 49 49 ALA H H 8.42 0.02 1 88 49 49 ALA N N 128.51 0.05 1 89 50 50 GLY H H 8.94 0.02 1 90 50 50 GLY N N 112.02 0.05 1 91 51 51 CYS H H 8.84 0.02 1 92 51 51 CYS N N 127.19 0.05 1 93 52 52 HIS H H 12.22 0.02 1 94 52 52 HIS N N 126.54 0.05 1 95 53 53 ASP H H 9.52 0.02 1 96 53 53 ASP N N 117.92 0.05 1 97 54 54 ASN H H 10.25 0.02 1 98 54 54 ASN N N 119.82 0.05 1 99 55 55 MET H H 9.68 0.02 1 100 55 55 MET N N 127.23 0.05 1 101 56 56 ASP H H 8.52 0.02 1 102 56 56 ASP N N 121.64 0.05 1 103 57 57 LYS H H 9.08 0.02 1 104 57 57 LYS N N 128.48 0.05 1 105 58 58 LYS H H 8.75 0.02 1 106 58 58 LYS N N 118.87 0.05 1 107 59 59 ASP H H 8.28 0.02 1 108 59 59 ASP N N 120.47 0.05 1 109 60 60 LYS H H 9.07 0.02 1 110 60 60 LYS N N 127.35 0.05 1 111 61 61 SER H H 8.9 0.02 1 112 61 61 SER N N 118 0.05 1 113 62 62 ALA H H 8.45 0.02 1 114 62 62 ALA N N 119.8 0.05 1 115 63 63 LYS H H 8.46 0.02 1 116 63 63 LYS N N 114.06 0.05 1 117 64 64 GLY H H 9.86 0.02 1 118 64 64 GLY N N 110.56 0.05 1 119 65 65 TYR H H 10.39 0.02 1 120 65 65 TYR N N 134.27 0.05 1 121 66 66 TYR H H 11.5 0.02 1 122 66 66 TYR N N 122.01 0.05 1 123 67 67 HIS H H 11.03 0.02 1 124 67 67 HIS N N 123.47 0.05 1 125 68 68 ALA H H 10.29 0.02 1 126 68 68 ALA N N 121.43 0.05 1 127 69 69 MET H H 8.52 0.02 1 128 69 69 MET N N 107.91 0.05 1 129 70 70 HIS H H 10.09 0.02 1 130 70 70 HIS N N 115.29 0.05 1 131 71 71 ASP H H 9.1 0.02 1 132 71 71 ASP N N 118.84 0.05 1 133 72 72 LYS H H 8.88 0.02 1 134 72 72 LYS N N 119.72 0.05 1 135 74 74 THR H H 6.87 0.02 1 136 74 74 THR N N 107.6 0.05 1 137 75 75 LYS H H 8.47 0.02 1 138 75 75 LYS N N 122.13 0.05 1 139 76 76 PHE H H 5.6 0.02 1 140 76 76 PHE N N 113.35 0.05 1 141 77 77 LYS H H 8.03 0.02 1 142 77 77 LYS N N 121.91 0.05 1 143 78 78 SER H H 7.15 0.02 1 144 78 78 SER N N 115.18 0.05 1 145 79 79 CYS H H 4.91 0.02 1 146 79 79 CYS N N 114.22 0.05 1 147 80 80 VAL H H 6.6 0.02 1 148 80 80 VAL N N 113.05 0.05 1 149 81 81 GLY H H 7.82 0.02 1 150 81 81 GLY N N 107.5 0.05 1 151 82 82 CYS H H 7.25 0.02 1 152 82 82 CYS N N 117.85 0.05 1 153 83 83 HIS H H 11.97 0.02 1 154 83 83 HIS N N 121.39 0.05 1 155 84 84 LEU H H 9.67 0.02 1 156 84 84 LEU N N 121.17 0.05 1 157 85 85 GLU H H 7.26 0.02 1 158 85 85 GLU N N 119.04 0.05 1 159 86 86 THR H H 8.43 0.02 1 160 86 86 THR N N 115.85 0.05 1 161 87 87 ALA H H 8.76 0.02 1 162 87 87 ALA N N 121.76 0.05 1 163 88 88 GLY H H 7.49 0.02 1 164 88 88 GLY N N 102.82 0.05 1 165 89 89 ALA H H 8.66 0.02 1 166 89 89 ALA N N 126.69 0.05 1 167 90 90 ASP H H 7.66 0.02 1 168 90 90 ASP N N 120.44 0.05 1 169 91 91 ALA H H 8.78 0.02 1 170 91 91 ALA N N 129.91 0.05 1 171 92 92 ALA H H 8.2 0.02 1 172 92 92 ALA N N 121.83 0.05 1 173 93 93 LYS H H 8.16 0.02 1 174 93 93 LYS N N 119.52 0.05 1 175 94 94 LYS H H 8.85 0.02 1 176 94 94 LYS N N 119.3 0.05 1 177 95 95 LYS H H 7.97 0.02 1 178 95 95 LYS N N 123.66 0.05 1 179 96 96 GLU H H 7.92 0.02 1 180 96 96 GLU N N 116.06 0.05 1 181 97 97 LEU H H 8.7 0.02 1 182 97 97 LEU N N 110.8 0.05 1 183 98 98 THR H H 8.96 0.02 1 184 98 98 THR N N 108.89 0.05 1 185 99 99 GLY H H 8.25 0.02 1 186 99 99 GLY N N 109.39 0.05 1 187 100 100 CYS H H 8.62 0.02 1 188 100 100 CYS N N 120.82 0.05 1 189 101 101 LYS H H 7.53 0.02 1 190 101 101 LYS N N 113.35 0.05 1 191 102 102 GLY H H 9.23 0.02 1 192 102 102 GLY N N 114.36 0.05 1 193 103 103 SER H H 9.15 0.02 1 194 103 103 SER N N 115.38 0.05 1 195 104 104 LYS H H 9.43 0.02 1 196 104 104 LYS N N 115.18 0.05 1 197 105 105 CYS H H 7.64 0.02 1 198 105 105 CYS N N 111.39 0.05 1 199 106 106 HIS H H 9.51 0.02 1 200 106 106 HIS N N 117 0.05 1 201 107 107 SER H H 10.01 0.02 1 202 107 107 SER N N 127.7 0.05 1 stop_ save_