data_5059 #Corrected using PDB structure: 1JE3A # #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 # 29 R HA 5.55 4.74 # 35 E HA 5.20 4.48 # 48 M HA 4.43 3.44 # 55 E HA 4.57 5.29 # 58 E HA 5.70 4.66 # 61 S HA 4.64 5.97 # 67 I HA 4.55 3.79 # 70 I HA 4.78 3.69 # 79 Y HA 5.31 4.42 # 92 R HA 5.39 4.52 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 33 V CA 66.03 60.54 # 64 P CA 57.31 65.40 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 46 E CB 37.21 29.17 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 33 V N 125.02 111.00 # 66 S N 123.02 110.34 # 79 Y N 120.42 131.47 # 83 D N 112.72 123.56 # 87 D N 126.02 115.96 # 95 I N 124.52 112.15 # 97 K N 132.72 119.92 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 54 G H 9.20 7.13 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.24 -0.07 0.51 N/A -1.28 -0.52 # #bmr5059.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5059.str file): #HA CA CB CO N HN #N/A +0.22 +0.22 N/A -1.28 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.06 +/-0.25 +/-0.33 N/A +/-0.78 +/-0.13 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.595 0.899 0.982 N/A 0.415 0.344 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.192 0.967 1.219 N/A 2.882 0.504 # #*Note: CA and CB offsets differences were greater than 0.5ppm, # Please check for possible misassignment or deuterate effects ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments for EC005 from E. coli ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Chang X. . . 3 Pineda_Lucena A. . . 4 Wu B. . . 5 Semesi A. . . 6 Le B. . . 7 Ramelot T. . . 8 Lee G. M. . 9 Bhattacharyya S. . . 10 Gutierrez P. . . 11 Denisov A. . . 12 Lee C. H. . 13 Cort J. R. . 14 Kozlov G. . . 15 Liao J. . . 16 Finak G. . . 17 Chen L. . . 18 Wishart D. . . 19 Lee W. . . 20 McIntosh L. P. . 21 Gehring Kalle . . 22 Kennedy M. A. . 23 Edwards A. M. . 24 Arrowsmith Cheryl H. . stop_ _BMRB_accession_number 5059 _BMRB_flat_file_name bmr5059.str _Entry_type new _Submission_date 2001-06-15 _Accession_date 2001-06-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Residues 1-20 are from the His-Tag. EC005 actually comprises resiudes 20-97 in this deposition. ; loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 280 '15N chemical shifts' 59 '13C chemical shifts' 126 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; An NMR Approach to Stuctural Proteomics ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 21843898 _PubMed_ID 11854485 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Chang X. . . 3 Pineda_Lucena A. . . 4 Wu B. . . 5 Semesi A. . . 6 Le B. . . 7 Ramelot T. . . 8 Lee G. M. . 9 Bhattacharyya S. . . 10 Gutierrez P. . . 11 Denisov A. . . 12 Lee C. H. . 13 Cort J. R. . 14 Kozlov G. . . 15 Liao J. . . 16 Finak G. . . 17 Chen L. . . 18 Wishart D. . . 19 Lee W. . . 20 McIntosh L. P. . 21 Gehring Kalle . . 22 Kennedy M. A. . 23 Edwards A. M. . 24 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation "Proc. Natl. Acad. Sci. U.S.A." _Journal_volume 99 _Journal_issue 4 _Page_first 1825 _Page_last 1830 _Year 2002 loop_ _Keyword "Structural genomics" stop_ save_ ################################## # Molecular system description # ################################## save_system_EC005 _Saveframe_category molecular_system _Mol_system_name EC005 _Abbreviation_common EC005 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EC005 $EC005 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1JE3 ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_EC005 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EC005 _Name_variant . _Abbreviation_common EC005 _Molecular_mass 10802.3 _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MKNIVPDYRLDMVGEPCPYP AVATLEAMPQLKKGEILEVV SDCPQSINNIPLDARNHGYT VLDIQQDGPTIRYLIQK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 LYS 23 ASN 24 ILE 25 VAL 26 PRO 27 ASP 28 TYR 29 ARG 30 LEU 31 ASP 32 MET 33 VAL 34 GLY 35 GLU 36 PRO 37 CYS 38 PRO 39 TYR 40 PRO 41 ALA 42 VAL 43 ALA 44 THR 45 LEU 46 GLU 47 ALA 48 MET 49 PRO 50 GLN 51 LEU 52 LYS 53 LYS 54 GLY 55 GLU 56 ILE 57 LEU 58 GLU 59 VAL 60 VAL 61 SER 62 ASP 63 CYS 64 PRO 65 GLN 66 SER 67 ILE 68 ASN 69 ASN 70 ILE 71 PRO 72 LEU 73 ASP 74 ALA 75 ARG 76 ASN 77 HIS 78 GLY 79 TYR 80 THR 81 VAL 82 LEU 83 ASP 84 ILE 85 GLN 86 GLN 87 ASP 88 GLY 89 PRO 90 THR 91 ILE 92 ARG 93 TYR 94 LEU 95 ILE 96 GLN 97 LYS 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 1JE3 "A Chain A, Solution Structure Of Ec005 FromEscherichia Coli" 100.00 97 100 100 4e-53 DBJ BAA15758.1 "ORF_ID:o342#9~similar to [SwissProtAccession Number P31065] [Escherichia coli]" 125.97 77 100 100 2e-39 DBJ BAB36092.1 "hypothetical protein [Escherichiacoli O157:H7]" 125.97 77 100 100 2e-39 EMBL CAD05714.1 "conserved hypothetical protein[Salmonella enterica subsp. enterica serovar Typhi]" 125.97 77 100 100 2e-39 GenBank AAA71973.1 "level of amino acid identity between E.coli and S.typhimurium proteins strongly indicatesauthentic gene" 125.97 77 100 100 2e-39 GenBank AAA82578.1 Orf9 125.97 77 100 100 2e-39 GenBank AAC74997.1 "orf, hypothetical protein; conservedhypothetical protein [Escherichia coli K12]" 125.97 77 100 100 2e-39 GenBank AAG56945.1 "orf, hypothetical protein [Escherichiacoli O157:H7 EDL933]" 125.97 77 100 100 2e-39 GenBank AAL20878.1 "putative transcriptional regulator[Salmonella typhimurium LT2]" 125.97 77 100 100 2e-39 PIR AG0751 "conserved hypothetical protein STY2174[imported] - Salmonella enterica subsp. entericaserovar Typhi (strain CT18)" 125.97 77 100 100 2e-39 PIR E85810 "hypothetical protein yedF [imported] -Escherichia coli (strain O157:H7, substrain EDL933)" 125.97 77 100 100 2e-39 PIR E90962 "hypothetical protein ECs2669 [imported] -Escherichia coli (strain O157:H7, substrain RIMD0509952)" 125.97 77 100 100 2e-39 PIR G64956 "yedF protein - Escherichia coli (strainK-12)" 125.97 77 100 100 2e-39 REF NP_288391.1 "orf, hypothetical protein[Escherichia coli O157:H7 EDL933]" 125.97 77 100 100 2e-39 REF NP_310696.1 "hypothetical protein ECs2669[Escherichia coli O157:H7]" 125.97 77 100 100 2e-39 REF NP_416440.1 "orf, hypothetical protein; conservedhypothetical protein [Escherichia coli K12]" 125.97 77 100 100 2e-39 REF NP_456527.1 "conserved hypothetical protein[Salmonella enterica subsp. enterica serovar Typhi str.CT18]" 125.97 77 100 100 2e-39 REF NP_460919.1 "putative transcriptional regulator[Salmonella typhimurium LT2]" 125.97 77 100 100 2e-39 SWISS-PROT P31065 "YEDF_ECOLI Hypothetical UPF0033 protein yedF" 125.97 77 100 100 2e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $EC005 "Escherichia coli" 562 Eubacteria . Escherichia coli K-12 YEDF 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 $EC005 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EC005 2.0 mM 1.0 2.0 "[U-15N]" "phosphate buffer" 50 mM . . . NaCl 0.15 M . . . DTT 1 mM . . . NaN3 1 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EC005 2.0 mM 1.0 2.0 "[U-15N; U-13C]" "phosphate buffer" 50 mM . . . NaCl 0.15 M . . . DTT 1 mM . . . NaN3 1 mM . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EC005 2.0 mM 1.0 2.0 . "phosphate buffer" 50 mM . . . NaCl 0.15 M . . . DTT 1 mM . . . NaN3 1 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.1 loop_ _Task "collection of data" stop_ save_ save_GIFA _Saveframe_category software _Name GIFA _Version 4.31 loop_ _Task "data processing" stop_ save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task "data analysis" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N TOCSY 1H-15N NOESY 1H-13C TOCSY 1H-13C NOESY HNCACB CBCA(CO)NH ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 n/a temperature 310 1 K 'ionic strength' 0.3 . M 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 . . . 1.0 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_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details ; The His-tag was not cut off for the NMR study, even though the chemical shifts were not reported here. ; loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name EC005 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 2 25 VAL H H 8.68 0.01 1 3 25 VAL HA H 4.73 0.01 1 4 25 VAL HB H 2.26 0.01 1 5 25 VAL HG1 H 1.04 0.01 2 6 25 VAL HG2 H 1.20 0.01 2 8 26 PRO HB2 H 2.36 0.01 2 9 27 ASP N N 119.42 0.25 1 10 27 ASP H H 9.22 0.01 1 11 27 ASP CA C 56.92 0.20 1 12 27 ASP HA H 4.76 0.01 1 13 27 ASP CB C 43.82 0.20 1 14 27 ASP HB2 H 3.00 0.01 2 15 27 ASP HB3 H 2.70 0.01 2 16 28 TYR N N 114.32 0.25 1 17 28 TYR H H 8.34 0.01 1 18 28 TYR CA C 56.62 0.20 1 19 28 TYR HA H 5.26 0.01 1 20 28 TYR CB C 43.92 0.20 1 21 28 TYR HB2 H 3.29 0.01 2 22 28 TYR HB3 H 3.00 0.01 2 23 28 TYR HD2 H 7.20 0.01 3 25 29 ARG H H 9.11 0.01 1 26 29 ARG CA C 55.02 0.20 1 27 29 ARG HA H 5.79 0.01 1 28 29 ARG CB C 33.82 0.20 1 29 29 ARG HB2 H 2.10 0.01 2 30 29 ARG HB3 H 1.96 0.01 2 31 29 ARG HG2 H 1.79 0.01 2 32 29 ARG HG3 H 1.71 0.01 2 33 30 LEU N N 126.62 0.25 1 34 30 LEU H H 9.72 0.01 1 35 30 LEU CA C 53.72 0.20 1 36 30 LEU HA H 5.02 0.01 1 38 30 LEU HB2 H 2.10 0.01 2 39 30 LEU HB3 H 2.01 0.01 2 40 30 LEU HG H 1.75 0.01 1 41 30 LEU HD1 H 1.07 0.01 2 42 30 LEU HD2 H 1.18 0.01 2 43 31 ASP N N 125.32 0.25 1 44 31 ASP H H 8.76 0.01 1 45 31 ASP CA C 53.92 0.20 1 46 31 ASP CB C 41.22 0.20 1 47 32 MET N N 122.52 0.25 1 48 32 MET H H 9.04 0.01 1 49 32 MET CA C 52.62 0.20 1 50 32 MET HA H 5.44 0.01 1 51 32 MET CB C 32.62 0.20 1 52 32 MET HB2 H 2.28 0.01 2 53 32 MET HB3 H 2.41 0.01 2 54 32 MET HG2 H 2.59 0.01 2 55 32 MET HE H 2.71 0.01 1 56 33 VAL N N 125.02 0.25 1 57 33 VAL H H 8.75 0.01 1 58 33 VAL CA C 66.32 0.20 1 59 33 VAL HA H 5.02 0.01 1 60 33 VAL CB C 30.82 0.20 1 61 33 VAL HB H 2.55 0.01 1 62 33 VAL HG1 H 1.19 0.01 2 63 33 VAL HG2 H 1.28 0.01 2 64 34 GLY N N 116.82 0.25 1 65 34 GLY H H 10.42 0.01 1 66 34 GLY CA C 44.82 0.20 1 67 34 GLY HA2 H 4.18 0.01 2 68 34 GLY HA3 H 3.93 0.01 2 69 35 GLU N N 117.92 0.25 1 70 35 GLU H H 7.79 0.01 1 71 35 GLU CA C 52.32 0.20 1 72 35 GLU HA H 5.44 0.01 1 73 35 GLU CB C 30.32 0.20 1 74 35 GLU HB2 H 2.22 0.01 2 75 35 GLU HB3 H 2.33 0.01 2 76 35 GLU HG2 H 2.65 0.01 2 77 36 PRO CD C 50.92 0.20 1 78 36 PRO HB2 H 2.66 0.01 2 79 36 PRO HG2 H 2.45 0.01 2 80 36 PRO HD2 H 4.29 0.01 2 81 37 CYS N N 118.32 0.25 1 82 37 CYS H H 9.44 0.01 1 83 37 CYS HA H 4.73 0.01 1 84 41 ALA N N 120.42 0.25 1 85 41 ALA H H 8.12 0.01 1 86 41 ALA CA C 55.62 0.20 1 87 41 ALA HA H 4.29 0.01 1 88 41 ALA CB C 18.63 0.20 1 89 41 ALA HB H 1.77 0.01 1 90 42 VAL N N 118.92 0.25 1 91 42 VAL H H 8.28 0.01 1 93 42 VAL HA H 3.81 0.01 1 95 42 VAL HB H 2.35 0.01 1 96 42 VAL HG2 H 1.31 0.01 2 97 43 ALA N N 119.92 0.25 1 98 43 ALA H H 8.90 0.01 1 99 43 ALA CA C 54.82 0.20 1 100 43 ALA HA H 4.30 0.01 1 101 43 ALA CB C 19.20 0.20 1 102 43 ALA HB H 1.70 0.01 1 103 44 THR N N 115.32 0.25 1 104 44 THR H H 7.91 0.01 1 105 44 THR CB C 70.12 0.20 1 106 44 THR HA H 4.53 0.01 1 107 44 THR HB H 3.76 0.01 1 108 44 THR HG2 H 1.17 0.01 1 110 45 LEU H H 7.86 0.01 1 112 45 LEU HA H 4.21 0.01 1 113 45 LEU HB2 H 2.12 0.01 2 114 45 LEU HB3 H 2.03 0.01 2 116 45 LEU HG H 1.62 0.01 1 117 45 LEU HD2 H 0.87 0.01 2 118 46 GLU N N 116.32 0.25 1 119 46 GLU H H 8.22 0.01 1 120 46 GLU CA C 58.02 0.20 1 121 46 GLU HA H 4.40 0.01 1 122 46 GLU CB C 36.92 0.20 1 123 46 GLU HB2 H 2.49 0.01 2 124 46 GLU HB3 H 2.34 0.01 2 125 46 GLU HG2 H 2.75 0.01 2 126 46 GLU HG3 H 2.71 0.01 2 128 47 ALA H H 7.90 0.01 1 129 47 ALA CA C 53.72 0.20 1 130 47 ALA HA H 4.51 0.01 1 131 47 ALA CB C 19.82 0.20 1 132 47 ALA HB H 1.64 0.01 1 133 48 MET N N 113.22 0.25 1 134 48 MET H H 7.53 0.01 1 135 48 MET CA C 56.82 0.20 1 136 48 MET HA H 4.67 0.01 1 137 48 MET CB C 29.12 0.20 1 138 48 MET HB2 H 2.07 0.01 2 139 48 MET HB3 H 2.13 0.01 2 140 48 MET HG2 H 2.88 0.01 2 141 51 LEU N N 121.42 0.25 1 142 51 LEU H H 7.80 0.01 1 143 51 LEU CA C 56.12 0.20 1 144 51 LEU HA H 4.51 0.01 1 145 51 LEU CB C 42.42 0.20 1 146 51 LEU HB2 H 1.96 0.01 2 147 51 LEU HG H 2.23 0.01 1 148 51 LEU HD1 H 0.78 0.01 2 149 51 LEU HD2 H 1.10 0.01 2 150 52 LYS N N 121.42 0.25 1 151 52 LYS H H 9.55 0.01 1 152 52 LYS CA C 54.52 0.20 1 153 52 LYS HA H 4.80 0.01 1 154 52 LYS CB C 33.72 0.20 1 155 52 LYS HB2 H 2.20 0.01 2 156 52 LYS HB3 H 1.80 0.01 2 157 52 LYS HG2 H 1.86 0.01 2 158 53 LYS H H 9.25 0.01 1 159 53 LYS CA C 58.42 0.20 1 160 53 LYS CB C 31.92 0.20 1 161 54 GLY N N 115.32 0.25 1 162 54 GLY H H 9.72 0.01 1 163 54 GLY CA C 45.12 0.20 1 164 54 GLY HA2 H 4.08 0.01 2 165 54 GLY HA3 H 3.89 0.01 2 166 55 GLU N N 120.42 0.25 1 167 55 GLU H H 8.71 0.01 1 168 55 GLU CA C 57.42 0.20 1 169 55 GLU HA H 4.81 0.01 1 170 55 GLU CB C 31.12 0.20 1 171 55 GLU HB2 H 2.24 0.01 2 172 55 GLU HB3 H 2.09 0.01 2 173 55 GLU HG2 H 2.53 0.01 2 174 55 GLU HG3 H 2.70 0.01 2 175 56 ILE N N 118.42 0.25 1 176 56 ILE H H 10.00 0.01 1 177 56 ILE CA C 59.02 0.20 1 178 56 ILE HA H 5.16 0.01 1 179 56 ILE CB C 41.52 0.20 1 180 56 ILE HB H 1.98 0.01 1 181 56 ILE HG12 H 1.13 0.01 1 182 56 ILE HG13 H 0.99 0.01 1 183 56 ILE HD1 H 1.00 0.01 1 184 57 LEU N N 130.22 0.25 1 185 57 LEU H H 9.90 0.01 1 186 57 LEU CA C 52.82 0.20 1 187 57 LEU HA H 5.17 0.01 1 188 57 LEU CB C 46.02 0.20 1 189 57 LEU HB2 H 2.23 0.01 2 190 57 LEU HG H 1.71 0.01 1 191 57 LEU CD2 C 24.42 0.20 2 192 57 LEU HD1 H 1.06 0.01 2 193 57 LEU HD2 H 1.00 0.01 2 194 58 GLU N N 126.62 0.25 1 195 58 GLU CA C 53.92 0.20 1 196 58 GLU HA H 5.94 0.01 1 197 58 GLU CB C 33.32 0.20 1 198 58 GLU HB2 H 2.08 0.01 2 199 58 GLU HB3 H 2.17 0.01 2 200 58 GLU HG2 H 2.49 0.01 2 201 58 GLU HG3 H 2.28 0.01 2 202 59 VAL N N 127.12 0.25 1 203 59 VAL H H 9.66 0.01 1 204 59 VAL CA C 60.82 0.20 1 205 59 VAL HA H 5.40 0.01 1 206 59 VAL CB C 34.82 0.20 1 207 59 VAL HB H 2.34 0.01 1 208 59 VAL HG1 H 1.17 0.01 2 209 59 VAL HG2 H 1.32 0.01 2 210 60 VAL N N 125.02 0.25 1 211 60 VAL H H 8.72 0.01 1 212 60 VAL CA C 60.52 0.20 1 213 60 VAL HA H 5.49 0.01 1 214 60 VAL CB C 33.52 0.20 1 215 60 VAL HB H 2.38 0.01 1 216 60 VAL HG2 H 1.19 0.01 2 217 61 SER N N 117.32 0.25 1 218 61 SER H H 9.54 0.01 1 219 61 SER CA C 56.82 0.20 1 220 61 SER HA H 4.88 0.01 1 221 61 SER CB C 66.32 0.20 1 222 61 SER HB2 H 4.04 0.01 2 224 62 ASP H H 8.99 0.01 1 225 62 ASP CA C 52.62 0.20 1 226 62 ASP HA H 5.64 0.01 1 227 62 ASP CB C 40.82 0.20 1 228 62 ASP HB2 H 3.37 0.01 2 229 62 ASP HB3 H 2.69 0.01 2 230 63 CYS N N 124.52 0.25 1 231 63 CYS H H 8.40 0.01 1 232 63 CYS CA C 57.22 0.20 1 233 63 CYS HA H 5.26 0.01 1 234 63 CYS HB2 H 3.24 0.01 2 235 63 CYS HB3 H 3.50 0.01 2 236 64 PRO CD C 51.72 0.20 1 238 64 PRO HB2 H 2.72 0.01 2 239 64 PRO HG2 H 2.45 0.01 2 240 64 PRO HD2 H 4.57 0.01 2 242 65 GLN H H 8.97 0.01 1 243 65 GLN CA C 57.42 0.20 1 244 65 GLN CB C 28.92 0.20 1 245 66 SER N N 123.02 0.25 1 246 66 SER H H 8.89 0.01 1 247 66 SER HA H 4.67 0.01 1 248 66 SER HB2 H 4.05 0.01 2 249 66 SER HB3 H 3.98 0.01 2 250 67 ILE N N 121.42 0.25 1 251 67 ILE H H 7.49 0.01 1 252 67 ILE CA C 63.32 0.20 1 253 67 ILE HA H 4.79 0.01 1 254 67 ILE CB C 38.92 0.20 1 255 67 ILE HB H 2.12 0.01 1 256 67 ILE HG12 H 1.26 0.01 1 257 68 ASN N N 114.82 0.25 1 258 68 ASN H H 7.74 0.01 1 259 68 ASN CA C 54.02 0.20 1 260 68 ASN HA H 5.16 0.01 1 261 68 ASN CB C 39.52 0.20 1 262 68 ASN HB2 H 3.23 0.01 2 263 68 ASN HB3 H 3.10 0.01 2 264 70 ILE N N 116.82 0.25 1 265 70 ILE H H 8.84 0.01 1 266 70 ILE CA C 67.82 0.20 1 267 70 ILE HA H 5.02 0.01 1 268 70 ILE CB C 35.32 0.20 1 269 70 ILE HB H 1.83 0.01 1 270 70 ILE HG12 H 1.68 0.01 1 271 70 ILE HG13 H 1.07 0.01 2 272 70 ILE CD1 C 13.22 0.20 1 273 70 ILE HD1 H 0.63 0.01 1 274 71 PRO CA C 66.22 0.20 1 275 71 PRO CB C 31.12 0.20 1 276 72 LEU N N 116.92 0.25 1 277 72 LEU H H 7.11 0.01 1 278 72 LEU CA C 58.02 0.20 1 279 72 LEU HA H 4.44 0.01 1 280 72 LEU CB C 42.22 0.20 1 281 72 LEU HB2 H 2.02 0.01 2 282 72 LEU HB3 H 2.31 0.01 2 283 72 LEU HG H 2.09 0.01 1 284 72 LEU HD1 H 1.28 0.01 2 285 72 LEU HD2 H 1.25 0.01 2 286 73 ASP N N 118.92 0.25 1 287 73 ASP H H 8.65 0.01 1 288 73 ASP CA C 57.72 0.20 1 289 73 ASP HA H 4.89 0.01 1 290 73 ASP CB C 40.22 0.20 1 291 73 ASP HB2 H 3.09 0.01 2 292 73 ASP HB3 H 2.84 0.01 2 294 74 ALA H H 8.87 0.01 1 296 74 ALA HA H 4.40 0.01 1 298 74 ALA HB H 1.68 0.01 1 300 75 ARG H H 8.30 0.01 1 302 75 ARG HA H 4.69 0.01 1 304 75 ARG HB2 H 2.34 0.01 2 305 75 ARG HB3 H 2.24 0.01 2 306 75 ARG HG2 H 1.18 0.01 2 308 76 ASN H H 8.87 0.01 1 310 76 ASN HA H 4.84 0.01 1 312 76 ASN HB2 H 3.36 0.01 2 314 77 HIS H H 7.92 0.01 1 316 77 HIS HA H 4.66 0.01 1 318 77 HIS HB2 H 3.42 0.01 2 319 77 HIS HB3 H 2.91 0.01 2 321 78 GLY H H 7.91 0.01 1 323 78 GLY HA2 H 4.06 0.01 2 324 78 GLY HA3 H 4.30 0.01 2 326 79 TYR H H 8.30 0.01 1 328 79 TYR HA H 5.55 0.01 1 330 79 TYR HB2 H 3.54 0.01 2 331 79 TYR HB3 H 2.80 0.01 2 332 79 TYR CD2 C 132.42 0.20 3 333 79 TYR HD2 H 7.40 0.01 3 335 80 THR H H 9.00 0.01 1 337 80 THR HA H 4.83 0.01 1 339 80 THR HB H 4.43 0.01 1 340 80 THR HG2 H 1.43 0.01 1 342 81 VAL H H 9.44 0.01 1 344 81 VAL HA H 5.03 0.01 1 347 82 LEU H H 9.41 0.01 1 349 82 LEU HA H 4.58 0.01 1 351 82 LEU HB2 H 1.89 0.01 2 352 82 LEU HB3 H 2.56 0.01 2 353 82 LEU HG H 1.76 0.01 1 354 82 LEU HD1 H 1.28 0.01 2 355 82 LEU HD2 H 1.14 0.01 2 357 83 ASP H H 7.88 0.01 1 359 83 ASP HA H 5.14 0.01 1 361 83 ASP HB2 H 3.03 0.01 2 362 83 ASP HB3 H 2.61 0.01 2 364 84 ILE H H 8.22 0.01 1 366 84 ILE HA H 4.87 0.01 1 368 84 ILE HB H 1.90 0.01 1 369 84 ILE HG12 H 1.16 0.01 1 370 84 ILE HG13 H 1.27 0.01 1 371 84 ILE CG1 C 17.32 0.20 2 372 84 ILE HG2 H 1.30 0.01 1 373 84 ILE HD1 H 0.76 0.01 1 375 85 GLN H H 9.25 0.01 1 377 85 GLN HA H 5.01 0.01 1 379 85 GLN HB2 H 2.32 0.01 2 380 85 GLN HB3 H 2.11 0.01 2 381 85 GLN HG2 H 2.50 0.01 2 383 86 GLN HA H 5.08 0.01 1 385 86 GLN HB2 H 2.12 0.01 2 386 86 GLN HB3 H 2.31 0.01 2 387 86 GLN HG2 H 2.53 0.01 2 389 87 ASP H H 8.99 0.01 1 395 90 THR H H 7.86 0.01 1 397 90 THR HA H 4.61 0.01 1 399 90 THR HB H 4.39 0.01 1 400 90 THR HG2 H 1.38 0.01 1 402 91 ILE H H 9.30 0.01 1 404 91 ILE HA H 4.79 0.01 1 406 91 ILE HB H 1.92 0.01 1 407 91 ILE HG12 H 1.10 0.01 1 408 91 ILE CD1 C 18.92 0.20 1 409 91 ILE HD1 H 0.47 0.01 1 411 92 ARG H H 8.96 0.01 1 413 92 ARG HA H 5.63 0.01 1 415 92 ARG HB2 H 1.91 0.01 1 416 92 ARG HB3 H 1.91 0.01 1 417 92 ARG HG2 H 1.83 0.01 2 418 92 ARG HG3 H 1.67 0.01 2 419 92 ARG HD2 H 3.44 0.01 2 421 93 TYR H H 9.83 0.01 1 423 93 TYR HA H 5.27 0.01 1 425 93 TYR HB2 H 2.93 0.01 2 426 93 TYR HB3 H 3.33 0.01 2 427 93 TYR CE2 C 117.62 0.20 3 428 93 TYR HE2 H 6.83 0.01 3 429 93 TYR HD2 H 7.27 0.01 3 431 94 LEU H H 8.76 0.01 1 433 94 LEU HA H 5.68 0.01 1 435 94 LEU HB2 H 2.14 0.01 2 436 94 LEU HB3 H 2.02 0.01 2 437 94 LEU HG H 1.46 0.01 1 438 94 LEU HD1 H 1.28 0.01 2 439 94 LEU HD2 H 1.15 0.01 2 441 95 ILE H H 9.76 0.01 1 443 95 ILE HA H 5.14 0.01 1 445 95 ILE HB H 2.16 0.01 1 446 95 ILE HG12 H 1.62 0.01 1 447 95 ILE HG13 H 1.16 0.01 2 448 95 ILE CD1 C 18.72 0.20 1 449 95 ILE HD1 H 1.02 0.01 1 451 96 GLN H H 9.98 0.01 1 453 96 GLN HA H 5.55 0.01 1 455 96 GLN HB3 H 1.99 0.01 2 456 96 GLN HG2 H 2.40 0.01 2 458 97 LYS H H 8.74 0.01 1 460 97 LYS HA H 4.40 0.01 1 462 97 LYS HB2 H 2.46 0.01 2 463 97 LYS HB3 H 2.30 0.01 2 464 97 LYS HG2 H 1.49 0.01 2 465 97 LYS HD3 H 1.64 0.01 2 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _PubMed_ID 97251358 _Citation_full ; Itoh T, Aiba H, Baba T, Hayashi K, Inada T, Isono K, Kasai H, Kimura S, Kitakawa M, Kitagawa M, Makino K, Miki T, Mizobuchi K, Mori H, Mori T, Motomura K, Nakade S, Nakamura Y, Nashimoto H, Nishio Y, Oshima T, Saito N, Sampei G, Seki Y, Horiuchi T, et al. A 460-kb DNA sequence of the Escherichia coli K-12 genome corresponding to the 40.1-50.0 min region on the linkage map. DNA Res. 1996 Dec 31;3(6):379-92. ; save_