data_4944 #Corrected using PDB structure: 1LJUA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 24 G HA 3.05 3.85 # 36 S HA 6.12 5.41 # 37 A HA 3.80 4.88 # 71 I HA 3.32 4.16 # 81 L HA 5.77 5.04 #122 K HA 3.84 2.56 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 7 Y CA 50.78 56.05 # 13 N CA 59.39 53.64 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 1 M CB 41.99 33.47 # 82 C CB 30.78 44.42 # 87 N CB 38.37 44.40 # 89 C CB 27.24 42.11 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 5 T C 167.56 172.84 # 37 A C 180.49 174.76 #106 P C 181.39 175.69 #107 A C 172.48 178.15 #131 R C 184.90 176.45 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 16 R N 125.98 113.63 # 82 C N 106.39 119.91 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 87 N H 8.34 6.26 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.03 0.83 1.07 0.39 -1.15 0.05 # #bmr4944.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4944.str file): #HA CA CB CO N HN #N/A +0.95 +0.95 +0.39 -1.15 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.17 +/-0.18 +/-0.18 +/-0.36 +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.819 0.949 0.979 0.792 0.829 0.583 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.168 0.930 0.969 0.928 1.951 0.382 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignment of the arsenate reductase from Staphylococcus aureus in its reduced state. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jacobs Doris M. . 2 Messens Joris . . 3 Wechselberger Rainer . . 4 Brosens Elke . . 5 Wyns Lode . . 6 Willem Rudolph . . 7 Martins Jose C. . stop_ _BMRB_accession_number 4944 _BMRB_flat_file_name bmr4944.str _Entry_type new _Submission_date 2001-01-22 _Accession_date 2001-01-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 244 '15N chemical shifts' 122 '13C chemical shifts' 358 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: 1H, 13C and 15N backbone resonance assignment of the arsenate reductase from Staphylococcus aureus in its reduced state ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jacobs Doris M. . 2 Messens Joris . . 3 Wechselberger Rainer W. . 4 Brosens Elke . . 5 Willem Rudolph . . 6 Wyns Lode . . 7 Martins Jose C. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 20 _Journal_issue 1 _Page_first 95 _Page_last 96 _Year 2001 _Details ; See references in saveframes ref_1, ref_2, ref-3, and ref_4. ; loop_ _Keyword "arsenate" "arsenate reductase" "metal-resistance" "ArsC" "thioredoxin" stop_ save_ ################################## # Molecular system description # ################################## save_system_ArsC _Saveframe_category molecular_system _Mol_system_name "Arsenate reductase" _Abbreviation_common ArsC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "arsenate reductase" $ArsC stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function "arsenate reductase" stop_ save_ ######################## # Monomeric polymers # ######################## save_ArsC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Arsenate reductase" _Name_variant . _Abbreviation_common ArsC _Molecular_mass 14812 _Mol_thiol_state 'all free' _Details ; The N-terminal segment contains a sequence identical to the conserved consensus sequence in low molecular weight tyrosine phosphatase. C82 and C89 have been identified as the redox pair involved in arsenate reduction. ; ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MDKKTIYFICTGNSCRSQMA EGWGKEILGEGWNVYSAGIE THGVNPKAIEAMKEVDIDIS NHTSDLIDNDILKQSDLVVT LCSDADNNCPILPPNVKKEH WGFDDPAGKEWSEFQRVRDE IKLAIEKFKLR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LYS 4 LYS 5 THR 6 ILE 7 TYR 8 PHE 9 ILE 10 CYS 11 THR 12 GLY 13 ASN 14 SER 15 CYS 16 ARG 17 SER 18 GLN 19 MET 20 ALA 21 GLU 22 GLY 23 TRP 24 GLY 25 LYS 26 GLU 27 ILE 28 LEU 29 GLY 30 GLU 31 GLY 32 TRP 33 ASN 34 VAL 35 TYR 36 SER 37 ALA 38 GLY 39 ILE 40 GLU 41 THR 42 HIS 43 GLY 44 VAL 45 ASN 46 PRO 47 LYS 48 ALA 49 ILE 50 GLU 51 ALA 52 MET 53 LYS 54 GLU 55 VAL 56 ASP 57 ILE 58 ASP 59 ILE 60 SER 61 ASN 62 HIS 63 THR 64 SER 65 ASP 66 LEU 67 ILE 68 ASP 69 ASN 70 ASP 71 ILE 72 LEU 73 LYS 74 GLN 75 SER 76 ASP 77 LEU 78 VAL 79 VAL 80 THR 81 LEU 82 CYS 83 SER 84 ASP 85 ALA 86 ASP 87 ASN 88 ASN 89 CYS 90 PRO 91 ILE 92 LEU 93 PRO 94 PRO 95 ASN 96 VAL 97 LYS 98 LYS 99 GLU 100 HIS 101 TRP 102 GLY 103 PHE 104 ASP 105 ASP 106 PRO 107 ALA 108 GLY 109 LYS 110 GLU 111 TRP 112 SER 113 GLU 114 PHE 115 GLN 116 ARG 117 VAL 118 ARG 119 ASP 120 GLU 121 ILE 122 LYS 123 LEU 124 ALA 125 ILE 126 GLU 127 LYS 128 PHE 129 LYS 130 LEU 131 ARG stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 1LJL "A Chain A, Wild Type Pi258 S. Aureus ArsenateReductase" 100.00 131 100 100 3e-74 PDB 1LK0 "A Chain A, Disulfide Intermediate Of C89lArsenate Reductase From Pi258" 100.00 131 99 99 4e-73 PDB 1JF8 "A Chain A, X-Ray Structure Of Reduced C10s,C15a Arsenate Reductase From Pi258" 100.00 131 98 98 4e-72 PDB 1LJU "A Chain A, X-Ray Structure Of C15a ArsenateReductase From Pi258 Complexed With Arsenite" 100.00 131 98 98 6e-72 PDB 1RXE "A Chain A, Arsc Complexed With Mnb" 100.00 131 98 98 6e-71 PDB 1RXI "A Chain A, Pi258 Arsenate Reductase (Arsc)Triple Mutant C10sC15AC82S" 100.00 131 98 98 6e-71 DBJ BAB43887.1 "arsenate reductase [Staphylococcusaureus subsp. aureus N315]" 100.00 131 100 100 3e-74 EMBL CAG39708.1 "arsenate reductase [Staphylococcusaureus subsp. aureus MRSA252]" 100.00 131 100 100 3e-74 GenBank AAA25638.1 "arsenate reductase [Plasmid pI258]" 100.00 131 100 100 3e-74 PIR A53641 "arsenate reductase (EC 1.-.-.-) -Staphylococcus aureus plasmid pI258" 100.77 130 98 98 7e-72 PIR D41903 "arsenate reductase (EC 1.-.-.-) -Staphylococcus aureus plasmid pI258" 100.00 131 100 100 3e-74 REF NP_395554.1 "arsenate reductase [Staphylococcusaureus subsp. aureus N315]" 100.00 131 100 100 3e-74 REF YP_040129.1 "arsenate reductase [Staphylococcusaureus subsp. aureus MRSA252]" 100.00 131 100 100 3e-74 SWISS-PROT P30330 "ARSC_STAAN Arsenate reductase (Arsenical pumpmodifier)" 100.00 131 100 100 3e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Plasmid _Gene_mnemonic $ArsC 'Staphylococcus aureus' 1280 Eubacteria . Staphylococcus aureus pI258 ars stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $ArsC 'recombinant technology' "E. coli" Escherichia coli BL21 plasmid pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ArsC 1.8 mM "[U-95% 13C; U-98% 15N]" DTT 1.0 mM . EDTA 0.1 mM . K2SO4 50 mM . 'potassium phosphate buffer' 50 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ArsC 1.8 mM "[U-98% 15N]" DTT 1.0 mM . EDTA 0.1 mM . K2SO4 50 mM . 'potassium phosphate buffer' 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 97.0 loop_ _Task "processing" "manual peak picking" "manual assignment" stop_ _Details "commercial software from MSI (San Diege, CA)" save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N HSQC 1H-15N HSQC-TOCSY 1H-15N HSQC-NOESY HNCA HNCO HN(CO)CA HN(CA)CO CBCA(CO)NH HNCACB ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details ; ArsC is sensitive to oxidation. Therefore all sample preparation was performed under reducing conditions, i.e. using argon flushed solutions to which DTT was added, at all times ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 0.1 n/a temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 H 1 'methyl protons' ppm 0.0 internal direct . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "arsenate reductase" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET C C 175.06 0.2 1 2 1 MET CA C 58.31 0.2 1 3 1 MET CB C 41.87 0.2 1 4 2 ASP H H 7.93 0.2 1 5 2 ASP HA H 4.38 0.02 1 6 2 ASP C C 177.17 0.2 1 7 2 ASP CA C 55.06 0.2 1 8 2 ASP N N 115.67 0.2 1 9 2 ASP CB C 38.97 0.2 1 10 3 LYS H H 8.29 0.2 1 11 3 LYS HA H 4.11 0.02 1 12 3 LYS C C 174.59 0.2 1 13 3 LYS CA C 56.47 0.2 1 14 3 LYS N N 121.42 0.2 1 15 3 LYS CB C 34.71 0.2 1 16 4 LYS H H 7.23 0.2 1 17 4 LYS HA H 4.27 0.02 1 18 4 LYS C C 172.01 0.2 1 19 4 LYS CA C 55.46 0.2 1 20 4 LYS N N 123.15 0.2 1 21 4 LYS CB C 33.70 0.2 1 22 5 THR H H 9.89 0.2 1 23 5 THR HA H 5.56 0.02 1 24 5 THR C C 167.56 0.2 1 25 5 THR CA C 63.05 0.2 1 26 5 THR N N 117.97 0.2 1 27 5 THR CB C 71.15 0.2 1 28 6 ILE H H 9.25 0.2 1 29 6 ILE HA H 5.46 0.02 1 30 6 ILE C C 173.18 0.2 1 31 6 ILE CA C 57.96 0.2 1 32 6 ILE N N 129.80 0.2 1 33 6 ILE CB C 40.78 0.2 1 34 7 TYR H H 8.23 0.2 1 35 7 TYR HA H 5.31 0.02 1 36 7 TYR C C 173.65 0.2 1 37 7 TYR CA C 50.90 0.2 1 38 7 TYR N N 129.56 0.2 1 39 7 TYR CB C 40.28 0.2 1 40 8 PHE H H 8.98 0.2 1 41 8 PHE HA H 4.98 0.02 1 42 8 PHE CA C 57.48 0.2 1 43 8 PHE N N 124.87 0.2 1 44 8 PHE CB C 40.78 0.2 1 45 9 ILE H H 9.16 0.2 1 46 9 ILE HA H 5.56 0.02 1 47 9 ILE CA C 57.99 0.2 1 48 9 ILE N N 120.93 0.2 1 49 9 ILE CB C 40.78 0.2 1 50 10 CYS H H 8.51 0.2 1 51 10 CYS HA H 4.60 0.02 1 52 10 CYS CA C 56.98 0.2 1 53 10 CYS N N 126.23 0.2 1 54 10 CYS CB C 29.65 0.2 1 55 11 THR H H 8.56 0.2 1 56 11 THR CA C 65.58 0.2 1 57 11 THR N N 115.88 0.2 1 58 11 THR CB C 67.61 0.2 1 59 12 GLY H H 8.11 0.2 1 60 12 GLY CA C 42.81 0.2 1 61 12 GLY N N 108.98 0.2 1 62 13 ASN H H 8.06 0.2 1 63 13 ASN CA C 59.51 0.2 1 64 13 ASN N N 117.11 0.2 1 65 13 ASN CB C 39.77 0.2 1 66 14 SER H H 8.61 0.2 1 67 14 SER CA C 60.02 0.2 1 68 14 SER N N 116.00 0.2 1 69 14 SER CB C 65.58 0.2 1 70 15 CYS H H 9.23 0.2 1 71 15 CYS CA C 60.02 0.2 1 72 15 CYS N N 119.21 0.2 1 73 15 CYS CB C 28.13 0.2 1 74 16 ARG H H 10.50 0.2 1 75 16 ARG CA C 60.02 0.2 1 76 16 ARG N N 125.98 0.2 1 77 16 ARG CB C 31.67 0.2 1 78 17 SER H H 9.61 0.2 1 79 17 SER CA C 60.02 0.2 1 80 17 SER N N 112.18 0.2 1 81 17 SER CB C 61.03 0.2 1 82 18 GLN H H 6.04 0.2 1 83 18 GLN HA H 4.44 0.02 1 84 18 GLN C C 173.65 0.2 1 85 18 GLN CA C 57.48 0.2 1 86 18 GLN N N 119.70 0.2 1 87 18 GLN CB C 27.12 0.2 1 88 19 MET H H 8.27 0.2 1 89 19 MET HA H 3.87 0.02 1 90 19 MET C C 177.87 0.2 1 91 19 MET CA C 60.02 0.2 1 92 19 MET N N 118.34 0.2 1 93 19 MET CB C 33.19 0.2 1 94 20 ALA H H 8.38 0.2 1 95 20 ALA HA H 3.58 0.02 1 96 20 ALA C C 178.81 0.2 1 97 20 ALA CA C 54.95 0.2 1 98 20 ALA N N 120.31 0.2 1 99 20 ALA CB C 15.98 0.2 1 100 21 GLU H H 7.83 0.2 1 101 21 GLU HA H 3.88 0.02 1 102 21 GLU C C 178.81 0.2 1 103 21 GLU CA C 59.00 0.2 1 104 21 GLU N N 118.34 0.2 1 105 21 GLU CB C 29.14 0.2 1 106 22 GLY H H 8.37 0.2 1 107 22 GLY HA2 H 3.83 0.02 2 108 22 GLY HA3 H 3.27 0.02 2 109 22 GLY C C 175.06 0.2 1 110 22 GLY CA C 47.36 0.2 1 111 22 GLY N N 104.54 0.2 1 112 23 TRP H H 8.92 0.2 1 113 23 TRP HA H 4.80 0.02 1 114 23 TRP C C 180.45 0.2 1 115 23 TRP CA C 59.00 0.2 1 116 23 TRP N N 120.56 0.2 1 117 23 TRP CB C 32.18 0.2 1 118 24 GLY H H 9.42 0.2 1 119 24 GLY HA2 H 3.72 0.02 2 120 24 GLY HA3 H 2.44 0.02 2 121 24 GLY C C 173.89 0.2 1 122 24 GLY CA C 47.45 0.2 1 123 24 GLY N N 107.87 0.2 1 124 25 LYS H H 8.36 0.2 1 125 25 LYS HA H 4.09 0.02 1 126 25 LYS C C 179.51 0.2 1 127 25 LYS CA C 60.02 0.2 1 128 25 LYS N N 121.55 0.2 1 129 25 LYS CB C 32.18 0.2 1 130 26 GLU H H 7.14 0.2 1 131 26 GLU HA H 4.29 0.02 1 132 26 GLU C C 178.58 0.2 1 133 26 GLU CA C 58.50 0.2 1 134 26 GLU N N 117.73 0.2 1 135 26 GLU CB C 30.15 0.2 1 136 27 ILE H H 8.97 0.2 1 137 27 ILE HA H 4.03 0.02 1 138 27 ILE C C 178.58 0.2 1 139 27 ILE CA C 63.53 0.2 1 140 27 ILE N N 117.23 0.2 1 141 27 ILE CB C 39.77 0.2 1 142 28 LEU H H 8.70 0.2 1 143 28 LEU HA H 4.43 0.02 1 144 28 LEU C C 181.99 0.2 1 145 28 LEU CA C 54.95 0.2 1 146 28 LEU N N 116.74 0.2 1 147 28 LEU CB C 39.77 0.2 1 148 29 GLY H H 7.07 0.2 1 149 29 GLY HA2 H 4.22 0.02 1 150 29 GLY HA3 H 4.22 0.02 1 151 29 GLY C C 173.65 0.2 1 152 29 GLY CA C 46.41 0.2 1 153 29 GLY N N 104.54 0.2 1 154 30 GLU H H 8.49 0.2 1 155 30 GLU HA H 4.21 0.02 1 156 30 GLU C C 177.87 0.2 1 157 30 GLU CA C 58.50 0.2 1 158 30 GLU N N 117.97 0.2 1 159 30 GLU CB C 29.14 0.2 1 160 31 GLY H H 8.42 0.2 1 161 31 GLY HA2 H 4.32 0.02 2 162 31 GLY HA3 H 3.74 0.02 2 163 31 GLY C C 171.78 0.2 1 164 31 GLY CA C 44.83 0.2 1 165 31 GLY N N 104.91 0.2 1 166 32 TRP H H 8.04 0.2 1 167 32 TRP HA H 5.33 0.02 1 168 32 TRP C C 175.53 0.2 1 169 32 TRP CA C 55.97 0.2 1 170 32 TRP N N 119.82 0.2 1 171 32 TRP CB C 31.17 0.2 1 172 33 ASN H H 9.90 0.2 1 173 33 ASN HA H 4.96 0.02 1 174 33 ASN C C 172.48 0.2 1 175 33 ASN CA C 52.42 0.2 1 176 33 ASN N N 121.05 0.2 1 177 33 ASN CB C 39.77 0.2 1 178 34 VAL H H 8.27 0.2 1 179 34 VAL HA H 4.68 0.02 1 180 34 VAL C C 173.89 0.2 1 181 34 VAL CA C 60.52 0.2 1 182 34 VAL N N 123.52 0.2 1 183 34 VAL CB C 33.19 0.2 1 184 35 TYR H H 8.38 0.2 1 185 35 TYR HA H 5.12 0.02 1 186 35 TYR C C 174.12 0.2 1 187 35 TYR CA C 54.95 0.2 1 188 35 TYR N N 124.26 0.2 1 189 35 TYR CB C 43.82 0.2 1 190 36 SER H H 9.40 0.2 1 191 36 SER HA H 6.15 0.02 1 192 36 SER C C 171.78 0.2 1 193 36 SER CA C 57.48 0.2 1 194 36 SER N N 115.38 0.2 1 195 36 SER CB C 68.62 0.2 1 196 37 ALA H H 8.87 0.2 1 197 37 ALA HA H 3.83 0.02 1 198 37 ALA C C 180.49 0.2 1 199 37 ALA CA C 51.41 0.2 1 200 37 ALA N N 121.92 0.2 1 201 37 ALA CB C 24.08 0.2 1 202 38 GLY H H 8.62 0.2 1 203 38 GLY HA2 H 4.94 0.02 2 204 38 GLY HA3 H 3.31 0.02 2 205 38 GLY CA C 42.30 0.2 1 206 38 GLY N N 103.68 0.2 1 207 39 ILE CA C 63.56 0.2 1 208 39 ILE CB C 38.25 0.2 1 209 40 GLU H H 8.13 0.2 1 210 40 GLU CA C 53.94 0.2 1 211 40 GLU N N 116.25 0.2 1 212 40 GLU CB C 33.19 0.2 1 213 41 THR H H 8.00 0.2 1 214 41 THR CA C 58.50 0.2 1 215 41 THR N N 108.48 0.2 1 216 41 THR CB C 70.14 0.2 1 217 43 GLY H H 7.54 0.2 1 218 43 GLY HA2 H 4.47 0.02 2 219 43 GLY HA3 H 3.85 0.02 2 220 43 GLY C C 171.31 0.2 1 221 43 GLY CA C 44.33 0.2 1 222 43 GLY N N 108.11 0.2 1 223 44 VAL H H 8.84 0.2 1 224 44 VAL HA H 3.82 0.02 1 225 44 VAL C C 175.76 0.2 1 226 44 VAL CA C 64.07 0.2 1 227 44 VAL N N 121.55 0.2 1 228 44 VAL CB C 32.18 0.2 1 229 45 ASN H H 8.62 0.2 1 230 45 ASN HA H 4.51 0.02 1 231 45 ASN C C 175.06 0.2 1 232 45 ASN CA C 51.41 0.2 1 233 45 ASN N N 129.93 0.2 1 234 45 ASN CB C 39.77 0.2 1 235 46 PRO C C 180.68 0.2 1 236 46 PRO CA C 65.08 0.2 1 237 46 PRO CB C 33.19 0.2 1 238 47 LYS H H 8.55 0.2 1 239 47 LYS HA H 3.97 0.02 1 240 47 LYS C C 180.45 0.2 1 241 47 LYS CA C 58.50 0.2 1 242 47 LYS N N 116.99 0.2 1 243 47 LYS CB C 31.67 0.2 1 244 48 ALA H H 7.84 0.2 1 245 48 ALA HA H 4.22 0.02 1 246 48 ALA C C 181.87 0.2 1 247 48 ALA CA C 54.55 0.2 1 248 48 ALA N N 121.42 0.2 1 249 48 ALA CB C 18.51 0.2 1 250 49 ILE H H 7.25 0.2 1 251 49 ILE HA H 3.29 0.02 1 252 49 ILE C C 176.23 0.2 1 253 49 ILE CA C 65.08 0.2 1 254 49 ILE N N 117.36 0.2 1 255 49 ILE CB C 37.24 0.2 1 256 50 GLU H H 8.09 0.2 1 257 50 GLU HA H 3.97 0.02 1 258 50 GLU C C 180.21 0.2 1 259 50 GLU CA C 59.00 0.2 1 260 50 GLU N N 121.42 0.2 1 261 50 GLU CB C 29.65 0.2 1 262 51 ALA H H 8.71 0.2 1 263 51 ALA HA H 4.20 0.02 1 264 51 ALA C C 182.09 0.2 1 265 51 ALA CA C 55.46 0.2 1 266 51 ALA N N 122.78 0.2 1 267 51 ALA CB C 16.99 0.2 1 268 52 MET H H 7.63 0.2 1 269 52 MET HA H 4.50 0.02 1 270 52 MET C C 179.28 0.2 1 271 52 MET CA C 54.45 0.2 1 272 52 MET N N 115.02 0.2 1 273 52 MET CB C 28.63 0.2 1 274 53 LYS H H 8.13 0.2 1 275 53 LYS HA H 3.88 0.02 1 276 53 LYS C C 181.86 0.2 1 277 53 LYS CA C 59.00 0.2 1 278 53 LYS N N 123.76 0.2 1 279 53 LYS CB C 31.63 0.2 1 280 54 GLU H H 7.59 0.2 1 281 54 GLU HA H 4.15 0.02 1 282 54 GLU C C 178.11 0.2 1 283 54 GLU CA C 59.00 0.2 1 284 54 GLU N N 118.10 0.2 1 285 54 GLU CB C 30.15 0.2 1 286 55 VAL H H 7.17 0.2 1 287 55 VAL HA H 4.61 0.02 1 288 55 VAL C C 172.01 0.2 1 289 55 VAL CA C 59.51 0.2 1 290 55 VAL N N 108.98 0.2 1 291 55 VAL CB C 29.65 0.2 1 292 56 ASP H H 7.78 0.2 1 293 56 ASP HA H 4.22 0.02 1 294 56 ASP C C 173.66 0.2 1 295 56 ASP CA C 55.46 0.2 1 296 56 ASP N N 114.52 0.2 1 297 56 ASP CB C 38.76 0.2 1 298 57 ILE H H 7.76 0.2 1 299 57 ILE HA H 4.06 0.02 1 300 57 ILE C C 172.95 0.2 1 301 57 ILE CA C 59.51 0.2 1 302 57 ILE N N 118.96 0.2 1 303 57 ILE CB C 38.76 0.2 1 304 58 ASP H H 8.82 0.2 1 305 58 ASP HA H 4.50 0.02 1 306 58 ASP C C 177.17 0.2 1 307 58 ASP CA C 52.42 0.2 1 308 58 ASP N N 127.34 0.2 1 309 58 ASP CB C 40.78 0.2 1 310 59 ILE H H 8.32 0.2 1 311 59 ILE HA H 4.16 0.02 1 312 59 ILE C C 176.23 0.2 1 313 59 ILE CA C 60.02 0.2 1 314 59 ILE N N 119.82 0.2 1 315 59 ILE CB C 36.23 0.2 1 316 60 SER H H 8.71 0.2 1 317 60 SER HA H 4.77 0.02 1 318 60 SER C C 173.89 0.2 1 319 60 SER CA C 61.53 0.2 1 320 60 SER N N 119.08 0.2 1 321 60 SER CB C 62.55 0.2 1 322 61 ASN H H 8.30 0.2 1 323 61 ASN HA H 5.05 0.02 1 324 61 ASN C C 175.53 0.2 1 325 61 ASN CA C 52.42 0.2 1 326 61 ASN N N 117.48 0.2 1 327 61 ASN CB C 38.25 0.2 1 328 62 HIS H H 7.63 0.2 1 329 62 HIS HA H 4.65 0.02 1 330 62 HIS C C 174.35 0.2 1 331 62 HIS CA C 55.97 0.2 1 332 62 HIS N N 120.81 0.2 1 333 62 HIS CB C 29.65 0.2 1 334 63 THR H H 8.84 0.2 1 335 63 THR HA H 4.43 0.02 1 336 63 THR C C 172.72 0.2 1 337 63 THR CA C 59.51 0.2 1 338 63 THR N N 111.19 0.2 1 339 63 THR CB C 69.63 0.2 1 340 64 SER H H 8.62 0.2 1 341 64 SER HA H 4.80 0.02 1 342 64 SER C C 171.78 0.2 1 343 64 SER CA C 55.97 0.2 1 344 64 SER N N 118.34 0.2 1 345 64 SER CB C 63.56 0.2 1 346 65 ASP H H 10.28 0.2 1 347 65 ASP HA H 5.09 0.02 1 348 65 ASP CA C 53.94 0.2 1 349 65 ASP N N 130.92 0.2 1 350 65 ASP CB C 46.35 0.2 1 351 66 LEU H H 8.07 0.2 1 352 66 LEU HA H 4.91 0.02 1 353 66 LEU C C 179.98 0.2 1 354 66 LEU CA C 53.44 0.2 1 355 66 LEU N N 120.81 0.2 1 356 66 LEU CB C 42.81 0.2 1 357 67 ILE H H 7.87 0.2 1 358 67 ILE HA H 3.34 0.02 1 359 67 ILE C C 173.42 0.2 1 360 67 ILE CA C 63.56 0.2 1 361 67 ILE N N 120.93 0.2 1 362 67 ILE CB C 37.75 0.2 1 363 68 ASP H H 8.32 0.2 1 364 68 ASP HA H 4.80 0.02 1 365 68 ASP C C 176.70 0.2 1 366 68 ASP CA C 51.92 0.2 1 367 68 ASP N N 129.06 0.2 1 368 68 ASP CB C 42.81 0.2 1 369 69 ASN H H 9.12 0.2 1 370 69 ASN HA H 4.30 0.02 1 371 69 ASN C C 177.64 0.2 1 372 69 ASN CA C 55.97 0.2 1 373 69 ASN N N 126.10 0.2 1 374 69 ASN CB C 38.76 0.2 1 375 70 ASP H H 8.51 0.2 1 376 70 ASP HA H 4.41 0.02 1 377 70 ASP C C 179.75 0.2 1 378 70 ASP CA C 56.98 0.2 1 379 70 ASP N N 119.20 0.2 1 380 70 ASP CB C 39.77 0.2 1 381 71 ILE H H 7.37 0.2 1 382 71 ILE HA H 3.35 0.02 1 383 71 ILE C C 181.39 0.2 1 384 71 ILE CA C 63.56 0.2 1 385 71 ILE N N 120.93 0.2 1 386 71 ILE CB C 36.23 0.2 1 387 72 LEU H H 8.14 0.2 1 388 72 LEU HA H 3.88 0.02 1 389 72 LEU C C 180.22 0.2 1 390 72 LEU CA C 58.50 0.2 1 391 72 LEU N N 121.79 0.2 1 392 72 LEU CB C 42.30 0.2 1 393 73 LYS H H 7.42 0.2 1 394 73 LYS HA H 3.98 0.02 1 395 73 LYS C C 177.40 0.2 1 396 73 LYS CA C 59.00 0.2 1 397 73 LYS N N 112.18 0.2 1 398 73 LYS CB C 32.18 0.2 1 399 74 GLN H H 7.18 0.2 1 400 74 GLN HA H 4.33 0.02 1 401 74 GLN C C 176.00 0.2 1 402 74 GLN CA C 54.45 0.2 1 403 74 GLN N N 115.88 0.2 1 404 74 GLN CB C 30.15 0.2 1 405 75 SER H H 7.32 0.2 1 406 75 SER HA H 3.94 0.02 1 407 75 SER C C 172.01 0.2 1 408 75 SER CA C 61.53 0.2 1 409 75 SER N N 117.23 0.2 1 410 75 SER CB C 63.55 0.2 1 411 76 ASP H H 9.12 0.2 1 412 76 ASP HA H 4.66 0.02 1 413 76 ASP C C 176.23 0.2 1 414 76 ASP CA C 56.47 0.2 1 415 76 ASP N N 122.66 0.2 1 416 76 ASP CB C 42.30 0.2 1 417 77 LEU H H 7.80 0.2 1 418 77 LEU HA H 4.41 0.02 1 419 77 LEU C C 171.55 0.2 1 420 77 LEU CA C 54.45 0.2 1 421 77 LEU N N 120.44 0.2 1 422 77 LEU CB C 45.34 0.2 1 423 78 VAL H H 8.82 0.2 1 424 78 VAL HA H 4.71 0.02 1 425 78 VAL C C 172.48 0.2 1 426 78 VAL CA C 60.02 0.2 1 427 78 VAL N N 127.34 0.2 1 428 78 VAL CB C 33.19 0.2 1 429 79 VAL H H 8.42 0.2 1 430 79 VAL HA H 4.70 0.02 1 431 79 VAL C C 176.47 0.2 1 432 79 VAL CA C 59.00 0.2 1 433 79 VAL N N 126.59 0.2 1 434 79 VAL CB C 33.70 0.2 1 435 80 THR H H 8.90 0.2 1 436 80 THR HA H 5.31 0.02 1 437 80 THR C C 176.23 0.2 1 438 80 THR CA C 58.50 0.2 1 439 80 THR N N 116.74 0.2 1 440 80 THR CB C 69.13 0.2 1 441 81 LEU H H 7.95 0.2 1 442 81 LEU HA H 5.80 0.02 1 443 81 LEU CA C 55.97 0.2 1 444 81 LEU N N 120.44 0.2 1 445 81 LEU CB C 44.33 0.2 1 446 82 CYS H H 7.63 0.2 1 447 82 CYS HA H 4.46 0.02 1 448 82 CYS C C 172.25 0.2 1 449 82 CYS CA C 56.98 0.2 1 450 82 CYS N N 106.39 0.2 1 451 82 CYS CB C 30.66 0.2 1 452 83 SER HA H 4.54 0.02 1 453 83 SER C C 176.00 0.2 1 454 83 SER CA C 62.55 0.2 1 455 83 SER CB C 62.55 0.2 1 456 84 ASP H H 8.74 0.2 1 457 84 ASP HA H 4.40 0.02 1 458 84 ASP C C 176.47 0.2 1 459 84 ASP CA C 57.48 0.2 1 460 84 ASP N N 121.55 0.2 1 461 84 ASP CB C 40.78 0.2 1 462 85 ALA H H 7.58 0.2 1 463 85 ALA HA H 4.22 0.02 1 464 85 ALA C C 178.34 0.2 1 465 85 ALA CA C 54.45 0.2 1 466 85 ALA N N 120.93 0.2 1 467 85 ALA CB C 18.51 0.2 1 468 86 ASP H H 7.91 0.2 1 469 86 ASP HA H 4.38 0.02 1 470 86 ASP C C 176.23 0.2 1 471 86 ASP CA C 57.99 0.2 1 472 86 ASP N N 117.23 0.2 1 473 86 ASP CB C 41.79 0.2 1 474 87 ASN H H 8.29 0.2 1 475 87 ASN HA H 4.44 0.02 1 476 87 ASN C C 174.36 0.2 1 477 87 ASN CA C 54.95 0.2 1 478 87 ASN N N 115.14 0.2 1 479 87 ASN CB C 38.25 0.2 1 480 88 ASN H H 7.51 0.2 1 481 88 ASN HA H 4.61 0.02 1 482 88 ASN C C 175.76 0.2 1 483 88 ASN CA C 53.02 0.2 1 484 88 ASN N N 115.63 0.2 1 485 88 ASN CB C 39.26 0.2 1 486 89 CYS H H 7.16 0.2 1 487 89 CYS HA H 4.90 0.02 1 488 89 CYS CA C 57.48 0.2 1 489 89 CYS N N 122.78 0.2 1 490 89 CYS CB C 27.12 0.2 1 491 90 PRO C C 173.89 0.2 1 492 90 PRO CA C 62.55 0.2 1 493 90 PRO CB C 32.18 0.2 1 494 91 ILE H H 7.99 0.2 1 495 91 ILE HA H 3.99 0.02 1 496 91 ILE C C 175.76 0.2 1 497 91 ILE CA C 59.54 0.2 1 498 91 ILE N N 120.19 0.2 1 499 91 ILE CB C 35.04 0.2 1 500 92 LEU H H 8.28 0.2 1 501 92 LEU HA H 4.68 0.02 1 502 92 LEU C C 173.42 0.2 1 503 92 LEU CA C 51.92 0.2 1 504 92 LEU N N 128.32 0.2 1 505 92 LEU CB C 41.28 0.2 1 506 94 PRO C C 176.70 0.2 1 507 94 PRO CA C 64.07 0.2 1 508 94 PRO CB C 32.18 0.2 1 509 95 ASN H H 8.36 0.2 1 510 95 ASN HA H 4.55 0.02 1 511 95 ASN C C 173.89 0.2 1 512 95 ASN CA C 53.94 0.2 1 513 95 ASN N N 112.43 0.2 1 514 95 ASN CB C 37.24 0.2 1 515 96 VAL H H 7.42 0.2 1 516 96 VAL HA H 4.02 0.02 1 517 96 VAL C C 174.36 0.2 1 518 96 VAL CA C 63.05 0.2 1 519 96 VAL N N 122.29 0.2 1 520 96 VAL CB C 32.68 0.2 1 521 97 LYS H H 7.56 0.2 1 522 97 LYS HA H 4.27 0.02 1 523 97 LYS C C 173.89 0.2 1 524 97 LYS CA C 55.46 0.2 1 525 97 LYS N N 127.71 0.2 1 526 97 LYS CB C 33.19 0.2 1 527 98 LYS H H 8.29 0.2 1 528 98 LYS HA H 6.03 0.02 1 529 98 LYS C C 175.76 0.2 1 530 98 LYS CA C 53.94 0.2 1 531 98 LYS N N 122.41 0.2 1 532 98 LYS CB C 34.71 0.2 1 533 99 GLU H H 8.96 0.2 1 534 99 GLU HA H 4.50 0.02 1 535 99 GLU C C 172.01 0.2 1 536 99 GLU CA C 54.95 0.2 1 537 99 GLU N N 124.87 0.2 1 538 99 GLU CB C 35.22 0.2 1 539 100 HIS H H 8.60 0.2 1 540 100 HIS HA H 5.38 0.02 1 541 100 HIS C C 173.19 0.2 1 542 100 HIS CA C 53.44 0.2 1 543 100 HIS N N 119.94 0.2 1 544 100 HIS CB C 30.15 0.2 1 545 101 TRP H H 8.41 0.2 1 546 101 TRP HA H 4.85 0.02 1 547 101 TRP CA C 51.92 0.2 1 548 101 TRP N N 131.16 0.2 1 549 101 TRP CB C 30.15 0.2 1 550 102 GLY H H 7.35 0.2 1 551 102 GLY HA2 H 3.77 0.02 2 552 102 GLY HA3 H 3.16 0.02 2 553 102 GLY CA C 46.35 0.2 1 554 102 GLY N N 104.91 0.2 1 555 103 PHE H H 8.04 0.2 1 556 103 PHE HA H 4.70 0.02 1 557 103 PHE C C 173.42 0.2 1 558 103 PHE CA C 57.48 0.2 1 559 103 PHE N N 119.94 0.2 1 560 103 PHE CB C 43.31 0.2 1 561 104 ASP H H 9.40 0.2 1 562 104 ASP HA H 4.32 0.02 1 563 104 ASP C C 177.17 0.2 1 564 104 ASP CA C 53.94 0.2 1 565 104 ASP N N 125.98 0.2 1 566 104 ASP CB C 40.78 0.2 1 567 105 ASP H H 8.51 0.2 1 568 105 ASP HA H 4.31 0.02 1 569 105 ASP CA C 50.40 0.2 1 570 105 ASP N N 118.46 0.2 1 571 105 ASP CB C 41.79 0.2 1 572 106 PRO C C 181.39 0.2 1 573 106 PRO CA C 62.55 0.2 1 574 106 PRO CB C 30.15 0.2 1 575 107 ALA H H 7.65 0.2 1 576 107 ALA HA H 4.24 0.02 1 577 107 ALA C C 172.48 0.2 1 578 107 ALA CA C 54.45 0.2 1 579 107 ALA N N 121.05 0.2 1 580 107 ALA CB C 18.51 0.2 1 581 108 GLY H H 8.92 0.2 1 582 108 GLY HA2 H 4.10 0.02 2 583 108 GLY HA3 H 3.85 0.02 2 584 108 GLY C C 171.78 0.2 1 585 108 GLY CA C 45.34 0.2 1 586 108 GLY N N 110.21 0.2 1 587 109 LYS H H 8.16 0.2 1 588 109 LYS HA H 4.64 0.02 1 589 109 LYS C C 175.30 0.2 1 590 109 LYS CA C 53.94 0.2 1 591 109 LYS N N 119.94 0.2 1 592 109 LYS CB C 33.19 0.2 1 593 110 GLU H H 8.58 0.2 1 594 110 GLU HA H 4.39 0.02 1 595 110 GLU C C 177.40 0.2 1 596 110 GLU CA C 55.97 0.2 1 597 110 GLU N N 117.23 0.2 1 598 110 GLU CB C 30.15 0.2 1 599 111 TRP H H 8.96 0.2 1 600 111 TRP HA H 4.80 0.02 1 601 111 TRP C C 177.87 0.2 1 602 111 TRP CA C 59.51 0.2 1 603 111 TRP N N 123.27 0.2 1 604 111 TRP CB C 30.15 0.2 1 605 112 SER H H 8.71 0.2 1 606 112 SER HA H 4.43 0.02 1 607 112 SER C C 178.34 0.2 1 608 112 SER CA C 60.52 0.2 1 609 112 SER N N 111.32 0.2 1 610 112 SER CB C 62.04 0.2 1 611 113 GLU H H 8.06 0.2 1 612 113 GLU HA H 4.50 0.02 1 613 113 GLU C C 179.75 0.2 1 614 113 GLU CA C 57.48 0.2 1 615 113 GLU N N 122.66 0.2 1 616 113 GLU CB C 29.65 0.2 1 617 114 PHE H H 7.41 0.2 1 618 114 PHE HA H 3.45 0.02 1 619 114 PHE C C 179.04 0.2 1 620 114 PHE CA C 63.05 0.2 1 621 114 PHE N N 119.57 0.2 1 622 114 PHE CB C 38.76 0.2 1 623 115 GLN H H 7.26 0.2 1 624 115 GLN HA H 3.20 0.02 1 625 115 GLN C C 176.23 0.2 1 626 115 GLN CA C 59.00 0.2 1 627 115 GLN N N 115.01 0.2 1 628 115 GLN CB C 29.14 0.2 1 629 116 ARG H H 8.01 0.2 1 630 116 ARG HA H 3.81 0.02 1 631 116 ARG C C 180.22 0.2 1 632 116 ARG CA C 59.51 0.2 1 633 116 ARG N N 117.73 0.2 1 634 116 ARG CB C 29.65 0.2 1 635 117 VAL H H 7.93 0.2 1 636 117 VAL HA H 4.19 0.02 1 637 117 VAL C C 177.40 0.2 1 638 117 VAL CA C 67.10 0.2 1 639 117 VAL N N 118.83 0.2 1 640 117 VAL CB C 31.67 0.2 1 641 118 ARG H H 7.85 0.2 1 642 118 ARG HA H 4.06 0.02 1 643 118 ARG C C 180.68 0.2 1 644 118 ARG CA C 60.52 0.2 1 645 118 ARG N N 119.08 0.2 1 646 118 ARG CB C 31.15 0.2 1 647 119 ASP H H 8.02 0.2 1 648 119 ASP HA H 4.60 0.02 1 649 119 ASP C C 180.22 0.2 1 650 119 ASP CA C 56.98 0.2 1 651 119 ASP N N 121.30 0.2 1 652 119 ASP CB C 39.26 0.2 1 653 120 GLU H H 8.60 0.2 1 654 120 GLU HA H 3.98 0.02 1 655 120 GLU C C 182.09 0.2 1 656 120 GLU CA C 59.00 0.2 1 657 120 GLU N N 124.87 0.2 1 658 120 GLU CB C 29.65 0.2 1 659 121 ILE H H 8.15 0.2 1 660 121 ILE HA H 3.30 0.02 1 661 121 ILE C C 176.93 0.2 1 662 121 ILE CA C 65.58 0.2 1 663 121 ILE N N 122.78 0.2 1 664 121 ILE CB C 36.73 0.2 1 665 122 LYS H H 7.20 0.2 1 666 122 LYS HA H 3.87 0.02 1 667 122 LYS C C 177.87 0.2 1 668 122 LYS CA C 60.02 0.2 1 669 122 LYS N N 120.07 0.2 1 670 122 LYS CB C 32.18 0.2 1 671 123 LEU H H 7.17 0.2 1 672 123 LEU HA H 3.91 0.02 1 673 123 LEU C C 179.75 0.2 1 674 123 LEU CA C 56.97 0.2 1 675 123 LEU N N 116.62 0.2 1 676 123 LEU CB C 41.29 0.2 1 677 124 ALA H H 7.61 0.2 1 678 124 ALA HA H 3.78 0.02 1 679 124 ALA C C 182.79 0.2 1 680 124 ALA CA C 54.45 0.2 1 681 124 ALA N N 120.19 0.2 1 682 124 ALA CB C 18.01 0.2 1 683 125 ILE H H 7.99 0.2 1 684 125 ILE HA H 3.76 0.02 1 685 125 ILE C C 177.63 0.2 1 686 125 ILE CA C 65.08 0.2 1 687 125 ILE N N 120.68 0.2 1 688 125 ILE CB C 36.73 0.2 1 689 126 GLU H H 8.66 0.2 1 690 126 GLU HA H 3.81 0.02 1 691 126 GLU C C 181.39 0.2 1 692 126 GLU CA C 60.02 0.2 1 693 126 GLU N N 121.42 0.2 1 694 126 GLU CB C 29.14 0.2 1 695 127 LYS H H 8.19 0.2 1 696 127 LYS HA H 3.86 0.02 1 697 127 LYS C C 181.39 0.2 1 698 127 LYS CA C 59.00 0.2 1 699 127 LYS N N 117.36 0.2 1 700 127 LYS CB C 31.67 0.2 1 701 128 PHE H H 7.79 0.2 1 702 128 PHE HA H 4.04 0.02 1 703 128 PHE C C 177.87 0.2 1 704 128 PHE CA C 61.03 0.2 1 705 128 PHE N N 121.79 0.2 1 706 128 PHE CB C 39.26 0.2 1 707 129 LYS H H 8.04 0.2 1 708 129 LYS HA H 4.42 0.02 1 709 129 LYS C C 176.94 0.2 1 710 129 LYS CA C 58.50 0.2 1 711 129 LYS N N 119.82 0.2 1 712 129 LYS CB C 32.68 0.2 1 713 130 LEU H H 7.04 0.2 1 714 130 LEU HA H 4.23 0.02 1 715 130 LEU C C 176.94 0.2 1 716 130 LEU CA C 54.45 0.2 1 717 130 LEU N N 116.25 0.2 1 718 130 LEU CB C 42.30 0.2 1 719 131 ARG H H 7.17 0.2 1 720 131 ARG HA H 3.79 0.02 1 721 131 ARG C C 184.90 0.2 1 722 131 ARG CA C 59.51 0.2 1 723 131 ARG N N 125.24 0.2 1 724 131 ARG CB C 30.66 0.2 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _MEDLINE_UI_code 93028484 _Citation_full ; Ji G, Silver S. Reduction of arsenate to arsenite by the ArsC protein of the arsenic resistance operon of Staphylococcus aureus plasmid pI258. Proc Natl Acad Sci U S A. 1992 Oct 15;89(20):9474-8. ; save_ save_ref_2 _Saveframe_category citation _MEDLINE_UI_code 94271784 _Citation_full ; Ji G, Garber EA, Armes LG, Chen CM, Fuchs JA, Silver S. Arsenate reductase of Staphylococcus aureus plasmid pI258. Biochemistry. 1994 Jun 14;33(23):7294-9. ; save_ save_ref_3 _Saveframe_category citation _MEDLINE_UI_code 20143288 _Citation_full ; Messens J, Hayburn G, Brosens E, Laus G, Wyns L. Development of a downstream process for the isolation of Staphylococcus aureus arsenate reductase overproduced in Escherichia coli. J Chromatogr B Biomed Sci Appl. 2000 Jan 14;737(1-2):167-78. ; save_ save_ref_4 _Saveframe_category citation _MEDLINE_UI_code 20074536 _Citation_full ; Messens J, Hayburn G, Desmyter A, Laus G, Wyns L. The essential catalytic redox couple in arsenate reductase from Staphylococcus aureus. Biochemistry. 1999 Dec 21;38(51):16857-65. ; save_