data_4348 #Corrected using PDB structure: 1NTCB # #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 # 12 T HA 4.72 3.92 # 66 H HA 3.58 4.61 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 12 T CA 59.37 64.47 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 23 S N 115.12 126.72 # 24 W N 122.62 134.00 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.01 -0.23 0.18 -0.40 0.12 -0.07 # #bmr4348.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4348.str file): #HA CA CB CO N HN #N/A -0.03 -0.03 -0.40 +0.12 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 +/-0.18 +/-0.22 +/-0.21 +/-0.50 +/-0.08 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.630 0.965 0.997 0.787 0.732 0.205 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.156 0.813 0.816 0.878 2.135 0.335 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Chemical Shift Assignments for NtrC-C-term-3Ala ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pelton Jeffrey G. . 2 Kustu Sydney . . 3 Wemmer David E. . stop_ _BMRB_accession_number 4348 _BMRB_flat_file_name bmr4348.str _Entry_type new _Submission_date 1999-05-18 _Accession_date 1999-05-19 _Entry_origination author _NMR_STAR_version 2.1 _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' 330 '13C chemical shifts' 281 '15N chemical shifts' 77 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Pelton, J. G., Kustu, S., and Wemmer, D. E., "Solution Structure of the DNA-binding Domain of NtrC with Three Alanine Substitutions," J. Mol. Biol., in preparation. ; _Citation_title ; Solution Structure of the DNA-binding Domain of NtrC with Three Alanine Substitutions ; _Citation_status 'in preparation' _Citation_type journal _MEDLINE_UI_code . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pelton Jeffrey G. . 2 Kustu Sydney . . 3 Wemmer David E. . stop_ _Journal_abbreviation "J. Mol. Biol." _Journal_name_full "Journal of Molecular Biology" _Journal_volume ? _Journal_issue na _Page_first ? _Page_last ? _Year ? loop_ _Keyword helix-turn-helix "DNA-binding protein" "four-helix bundle" "NMR spectroscopy" "protein structure" FIS stop_ save_ ################################## # Molecular system description # ################################## save_system_NtrC-C-term-3Ala _Saveframe_category molecular_system _Mol_system_name "Nitrogen Regulatory protein C-C-term-3Ala" _Abbreviation_common NtrC-C-term-3Ala loop_ _Mol_system_component_name _Mol_label "NtrC-C-term-3Ala subunit 1" $NtrC "NtrC-C-term-3Ala subunit 2" $NtrC stop_ _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 "NtrC-C-term-3Ala subunit 1" 1 "NtrC-C-term-3Ala subunit 2" stop_ loop_ _Biological_function DNA-binding stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1NTC "A Chain A, Solution Structure Of The Dna-Binding Domain Of Ntrc With Three Alanine Substitutions" . stop_ save_ ######################## # Monomeric polymers # ######################## save_NtrC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Nitrogen regulatory protein C" _Name_variant NtrC-C-term-3Ala _Abbreviation_common NtrC _Molecular_mass 19962 ############################## # Polymer residue sequence # ############################## _Sequence_citation_label $ref_1 ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; MDLPGELFEASTPDSPSHLP PDSWATLLAQWADRALRSGH QNLLSEAQPELERTLLTTAL RHTQGHKQEAARLLGWGAAT LTAKLKELGME ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LEU 4 PRO 5 GLY 6 GLU 7 LEU 8 PHE 9 GLU 10 ALA 11 SER 12 THR 13 PRO 14 ASP 15 SER 16 PRO 17 SER 18 HIS 19 LEU 20 PRO 21 PRO 22 ASP 23 SER 24 TRP 25 ALA 26 THR 27 LEU 28 LEU 29 ALA 30 GLN 31 TRP 32 ALA 33 ASP 34 ARG 35 ALA 36 LEU 37 ARG 38 SER 39 GLY 40 HIS 41 GLN 42 ASN 43 LEU 44 LEU 45 SER 46 GLU 47 ALA 48 GLN 49 PRO 50 GLU 51 LEU 52 GLU 53 ARG 54 THR 55 LEU 56 LEU 57 THR 58 THR 59 ALA 60 LEU 61 ARG 62 HIS 63 THR 64 GLN 65 GLY 66 HIS 67 LYS 68 GLN 69 GLU 70 ALA 71 ALA 72 ARG 73 LEU 74 LEU 75 GLY 76 TRP 77 GLY 78 ALA 79 ALA 80 THR 81 LEU 82 THR 83 ALA 84 LYS 85 LEU 86 LYS 87 GLU 88 LEU 89 GLY 90 MET 91 GLU 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 1NTC "A Chain A, Solution Structure Of TheDna-Binding Domain Of Ntrc With Three AlanineSubstitutions" 100.00 91 100 100 6e-47 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NtrC "Salmonella typhimurium" 602 Eubacteria . Salmonella typhimurium 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 _Details $NtrC 'recombinant technology' "E. coli" Escherichia coli pLys-S plasmid pJES1092 ; Reference for plasmid: Porter, S. C., North, A. K., Wedel, A. B., Kustu, S.1993 Genes Dev. 7, 2258-2273 C-terminus of NtrC with 3 alanine substitutions R456A, N457A, R461A ; 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 $NtrC . mM 0.5 1.5 "[U-98% 13C; U-95% 15N]" sodium_phosphate 20 mM . . . potassium_chloride 50 mM . . . EDTA 0.1 mM . . . sodium_azide 0.02 "w/v %" . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Details ; 1H-15N NOESY-HSQC 1H-15N TOCSY-HSQC HNCA HCACO HNCO HA(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 6.1 0.2 n/a temperature 308 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; proton chemical shifts were referenced indirectly to DSS using the water peak as 4.73 ppm at 37C ; 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 water H 1 protons ppm 4.73 internal direct . internal . . DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144953 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_NtrC-C-term-3Ala _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "NtrC-C-term-3Ala subunit 1" 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 5 GLY H H 8.35 0.02 1 2 5 GLY N N 108.92 0.2 1 3 5 GLY HA2 H 3.93 0.02 2 4 5 GLY CA C 45.47 0.2 1 5 5 GLY C C 173.80 0.2 1 6 6 GLU H H 8.19 0.02 1 7 6 GLU N N 120.12 0.2 1 8 6 GLU HA H 4.26 0.02 1 9 6 GLU CA C 56.67 0.2 1 10 6 GLU C C 175.90 0.2 1 11 7 LEU H H 8.10 0.02 1 12 7 LEU N N 122.12 0.2 1 13 7 LEU HA H 4.30 0.02 1 14 7 LEU CA C 55.17 0.2 1 15 7 LEU HG H 1.56 0.02 1 16 7 LEU CG C 26.77 0.2 1 17 7 LEU HD1 H 0.93 0.02 1 18 7 LEU CD1 C 24.77 0.2 1 19 7 LEU HD2 H 0.86 0.02 1 20 7 LEU CD2 C 23.37 0.2 1 21 7 LEU C C 176.40 0.2 1 22 8 PHE H H 8.09 0.02 1 23 8 PHE N N 120.52 0.2 1 24 8 PHE HA H 4.62 0.02 1 25 8 PHE CA C 57.57 0.2 1 26 8 PHE HB2 H 3.05 0.02 2 27 8 PHE HB3 H 3.17 0.02 2 28 8 PHE CB C 39.67 0.2 1 30 9 GLU H H 8.21 0.02 1 32 9 GLU HA H 4.26 0.02 1 35 10 ALA H H 8.21 0.02 1 37 10 ALA HA H 4.36 0.02 1 39 10 ALA HB H 1.45 0.02 1 42 11 SER H H 8.23 0.02 1 44 11 SER HA H 4.50 0.02 1 46 11 SER HB2 H 3.86 0.02 2 48 12 THR H H 8.31 0.02 1 50 12 THR HA H 4.71 0.02 1 52 12 THR HB H 4.26 0.02 1 54 12 THR HG2 H 1.27 0.02 1 55 12 THR CG2 C 21.07 0.2 1 56 22 ASP H H 8.20 0.02 1 57 22 ASP N N 115.92 0.2 1 58 22 ASP HA H 4.62 0.02 1 59 22 ASP CA C 55.07 0.2 1 60 22 ASP HB2 H 2.65 0.02 2 61 22 ASP HB3 H 2.71 0.02 2 62 22 ASP C C 176.00 0.2 1 63 23 SER H H 8.28 0.02 1 64 23 SER N N 115.12 0.2 1 65 23 SER HA H 4.67 0.02 1 66 23 SER CA C 58.37 0.2 1 67 23 SER C C 175.40 0.2 1 68 24 TRP H H 8.41 0.02 1 69 24 TRP N N 122.62 0.2 1 70 24 TRP HA H 4.42 0.02 1 71 24 TRP CA C 59.97 0.2 1 72 24 TRP HB2 H 3.86 0.02 2 73 24 TRP HB3 H 3.15 0.02 2 74 24 TRP CB C 27.87 0.2 1 75 24 TRP HD1 H 7.34 0.02 1 76 24 TRP CD1 C 127.57 0.2 1 77 24 TRP HE3 H 7.38 0.02 1 78 24 TRP CE3 C 119.37 0.2 1 79 24 TRP HZ2 H 6.87 0.02 1 80 24 TRP CZ2 C 114.17 0.2 1 81 24 TRP HZ3 H 6.71 0.02 1 82 24 TRP CZ3 C 121.07 0.2 1 83 24 TRP HH2 H 7.01 0.02 1 84 24 TRP CH2 C 123.47 0.2 1 85 24 TRP C C 176.70 0.2 1 86 25 ALA H H 6.99 0.02 1 87 25 ALA N N 124.32 0.2 1 88 25 ALA HA H 3.49 0.02 1 89 25 ALA CA C 54.87 0.2 1 90 25 ALA HB H 0.51 0.02 1 91 25 ALA CB C 16.57 0.2 1 92 25 ALA C C 179.10 0.2 1 93 26 THR H H 7.63 0.02 1 94 26 THR N N 116.12 0.2 1 95 26 THR HA H 3.97 0.02 1 96 26 THR CA C 66.07 0.2 1 97 26 THR HB H 4.30 0.02 1 99 26 THR HG2 H 1.26 0.02 1 100 26 THR CG2 C 21.97 0.2 1 101 26 THR C C 176.70 0.2 1 102 27 LEU H H 7.39 0.02 1 103 27 LEU N N 121.92 0.2 1 104 27 LEU HA H 4.37 0.02 1 105 27 LEU CA C 57.57 0.2 1 106 27 LEU HB2 H 1.88 0.02 2 107 27 LEU HB3 H 1.99 0.02 2 108 27 LEU CB C 41.47 0.2 1 109 27 LEU HG H 1.90 0.02 1 110 27 LEU CG C 27.87 0.2 1 111 27 LEU HD1 H 1.00 0.02 1 112 27 LEU CD1 C 25.47 0.2 1 113 27 LEU HD2 H 0.91 0.02 1 114 27 LEU CD2 C 23.37 0.2 1 115 27 LEU C C 179.10 0.2 1 116 28 LEU H H 8.37 0.02 1 117 28 LEU N N 124.72 0.2 1 118 28 LEU HA H 3.82 0.02 1 119 28 LEU CA C 58.07 0.2 1 120 28 LEU HB2 H 1.99 0.02 2 121 28 LEU HB3 H 1.12 0.02 2 122 28 LEU CB C 40.77 0.2 1 123 28 LEU HG H 1.14 0.02 1 124 28 LEU CG C 26.77 0.2 1 125 28 LEU HD1 H -0.56 0.02 1 126 28 LEU CD1 C 20.67 0.2 1 127 28 LEU HD2 H 0.69 0.02 1 128 28 LEU CD2 C 27.47 0.2 1 129 28 LEU C C 177.40 0.2 1 130 29 ALA H H 7.96 0.02 1 131 29 ALA N N 121.92 0.2 1 132 29 ALA HA H 3.80 0.02 1 133 29 ALA CA C 55.37 0.2 1 134 29 ALA HB H 1.51 0.02 1 135 29 ALA CB C 17.67 0.2 1 136 29 ALA C C 179.30 0.2 1 137 30 GLN H H 7.48 0.02 1 138 30 GLN N N 117.12 0.2 1 139 30 GLN HA H 4.18 0.02 1 140 30 GLN CA C 59.07 0.2 1 141 30 GLN HG2 H 2.49 0.02 2 142 30 GLN HG3 H 2.75 0.02 2 143 30 GLN CG C 34.07 0.2 1 144 30 GLN C C 178.50 0.2 1 145 31 TRP H H 8.59 0.02 1 146 31 TRP N N 122.72 0.2 1 147 31 TRP HA H 4.04 0.02 1 148 31 TRP CA C 62.07 0.2 1 149 31 TRP HB2 H 3.62 0.02 2 150 31 TRP HB3 H 3.76 0.02 2 151 31 TRP CB C 28.07 0.2 1 152 31 TRP HD1 H 7.46 0.02 1 153 31 TRP CD1 C 127.47 0.2 1 154 31 TRP HE3 H 7.46 0.02 1 155 31 TRP CE3 C 121.07 0.2 1 156 31 TRP HZ2 H 7.59 0.02 1 157 31 TRP CZ2 C 114.27 0.2 1 158 31 TRP HZ3 H 6.65 0.02 1 159 31 TRP CZ3 C 119.77 0.2 1 160 31 TRP HH2 H 7.16 0.02 1 161 31 TRP CH2 C 123.67 0.2 1 162 31 TRP HE1 H 10.33 0.02 1 163 31 TRP NE1 N 130.50 0.2 1 164 31 TRP C C 178.50 0.2 1 165 32 ALA H H 9.02 0.02 1 166 32 ALA N N 122.12 0.2 1 167 32 ALA HA H 3.05 0.02 1 168 32 ALA CA C 54.27 0.2 1 169 32 ALA HB H 1.36 0.02 1 170 32 ALA CB C 18.37 0.2 1 171 32 ALA C C 177.70 0.2 1 172 33 ASP H H 8.24 0.02 1 173 33 ASP N N 118.52 0.2 1 174 33 ASP HA H 4.10 0.02 1 175 33 ASP CA C 57.67 0.2 1 176 33 ASP HB2 H 2.78 0.02 2 178 33 ASP C C 177.30 0.2 1 179 34 ARG H H 7.52 0.02 1 180 34 ARG N N 117.52 0.2 1 181 34 ARG HA H 3.79 0.02 1 182 34 ARG CA C 59.47 0.2 1 183 34 ARG HD2 H 3.26 0.02 2 184 34 ARG CD C 43.57 0.2 1 185 34 ARG C C 178.80 0.2 1 186 35 ALA H H 8.18 0.02 1 187 35 ALA N N 123.92 0.2 1 188 35 ALA HA H 3.45 0.02 1 189 35 ALA CA C 54.67 0.2 1 190 35 ALA HB H 0.42 0.02 1 192 35 ALA C C 179.90 0.2 1 193 36 LEU H H 8.41 0.02 1 194 36 LEU N N 119.02 0.2 1 195 36 LEU HA H 3.94 0.02 1 196 36 LEU CA C 57.47 0.2 1 197 36 LEU HB2 H 0.30 0.02 2 198 36 LEU HB3 H 1.51 0.02 2 199 36 LEU CB C 40.37 0.2 2 200 36 LEU HG H 1.43 0.02 1 201 36 LEU CG C 28.17 0.2 1 202 36 LEU HD1 H 0.45 0.02 1 203 36 LEU CD1 C 25.47 0.2 1 204 36 LEU HD2 H 0.74 0.02 1 205 36 LEU CD2 C 24.17 0.2 1 206 36 LEU C C 181.00 0.2 1 207 37 ARG H H 8.09 0.02 1 208 37 ARG N N 119.62 0.2 1 209 37 ARG HA H 4.19 0.02 1 210 37 ARG CA C 59.07 0.2 1 211 37 ARG C C 177.00 0.2 1 212 38 SER H H 7.61 0.02 1 213 38 SER N N 112.42 0.2 1 214 38 SER HA H 4.68 0.02 1 215 38 SER CA C 58.17 0.2 1 216 38 SER C C 174.20 0.2 1 217 39 GLY H H 7.64 0.02 1 218 39 GLY N N 107.72 0.2 1 219 39 GLY HA2 H 4.22 0.02 2 220 39 GLY HA3 H 3.86 0.02 2 221 39 GLY CA C 45.97 0.2 1 222 39 GLY C C 174.70 0.2 1 223 40 HIS H H 8.18 0.02 1 224 40 HIS N N 118.92 0.2 1 225 40 HIS HA H 4.53 0.02 1 226 40 HIS CA C 56.67 0.2 1 227 40 HIS HB2 H 3.06 0.02 2 228 40 HIS HB3 H 2.62 0.02 2 229 40 HIS CB C 29.37 0.2 1 230 40 HIS C C 173.90 0.2 1 231 41 GLN H H 8.32 0.02 1 232 41 GLN N N 117.32 0.2 1 233 41 GLN HA H 4.54 0.02 1 234 41 GLN CA C 54.57 0.2 1 235 41 GLN C C 174.10 0.2 1 236 42 ASN H H 8.00 0.02 1 237 42 ASN N N 116.32 0.2 1 238 42 ASN HA H 4.18 0.02 1 239 42 ASN CA C 53.47 0.2 1 240 42 ASN HB2 H 2.82 0.02 2 241 42 ASN HB3 H 3.18 0.02 2 242 42 ASN CB C 37.07 0.2 1 243 42 ASN C C 176.50 0.2 1 244 43 LEU H H 8.52 0.02 1 245 43 LEU N N 117.82 0.2 1 246 43 LEU HA H 4.10 0.02 1 247 43 LEU CA C 58.37 0.2 1 248 43 LEU HB2 H 1.63 0.02 2 249 43 LEU CB C 43.67 0.2 1 250 43 LEU HG H 1.81 0.02 1 251 43 LEU CG C 27.07 0.2 1 252 43 LEU HD1 H 0.70 0.02 1 253 43 LEU CD1 C 25.17 0.2 1 254 43 LEU HD2 H 0.59 0.02 1 255 43 LEU CD2 C 22.87 0.2 1 256 43 LEU C C 179.70 0.2 1 257 44 LEU H H 8.31 0.02 1 258 44 LEU N N 117.72 0.2 1 259 44 LEU HA H 4.00 0.02 1 260 44 LEU CA C 58.57 0.2 1 261 44 LEU HB2 H 1.68 0.02 2 262 44 LEU HB3 H 1.76 0.02 2 263 44 LEU CB C 41.07 0.2 1 264 44 LEU HG H 1.49 0.02 1 265 44 LEU CG C 27.77 0.2 1 266 44 LEU HD1 H 0.46 0.02 1 267 44 LEU CD1 C 24.77 0.2 1 268 44 LEU HD2 H 0.82 0.02 1 269 44 LEU CD2 C 24.47 0.2 1 271 45 SER H H 7.78 0.02 1 273 45 SER HA H 4.31 0.02 1 274 45 SER CA C 60.97 0.2 1 275 45 SER C C 174.50 0.2 1 276 46 GLU H H 7.32 0.02 1 277 46 GLU N N 118.12 0.2 1 278 46 GLU HA H 4.58 0.02 1 279 46 GLU CA C 57.57 0.2 1 280 46 GLU HB2 H 2.47 0.02 2 281 46 GLU CB C 30.97 0.2 1 282 46 GLU HG2 H 2.45 0.02 2 283 46 GLU HG3 H 2.61 0.02 2 284 46 GLU CG C 36.57 0.2 1 286 47 ALA H H 8.28 0.02 1 287 47 ALA N N 120.52 0.2 1 288 47 ALA HA H 4.39 0.02 1 289 47 ALA CA C 54.87 0.2 1 290 47 ALA HB H 1.41 0.02 1 291 47 ALA CB C 20.27 0.2 1 292 47 ALA C C 177.70 0.2 1 293 48 GLN H H 8.94 0.02 1 294 48 GLN N N 118.12 0.2 1 295 48 GLN HA H 4.20 0.02 1 296 48 GLN CA C 61.17 0.2 1 297 48 GLN HB2 H 2.36 0.02 2 298 48 GLN HB3 H 2.41 0.02 2 299 48 GLN CB C 25.17 0.2 1 300 48 GLN HG2 H 2.34 0.02 2 301 48 GLN HG3 H 2.45 0.02 2 302 48 GLN CG C 33.27 0.2 1 303 49 PRO HA H 4.47 0.02 1 304 49 PRO CA C 65.97 0.2 1 305 49 PRO HD2 H 3.67 0.02 2 306 49 PRO HD3 H 3.82 0.02 2 307 49 PRO CD C 50.77 0.2 1 308 49 PRO C C 178.10 0.2 1 309 50 GLU H H 6.73 0.02 1 310 50 GLU N N 116.22 0.2 1 311 50 GLU HA H 4.17 0.02 1 312 50 GLU CA C 58.67 0.2 1 313 50 GLU HB2 H 2.03 0.02 2 314 50 GLU HB3 H 2.17 0.02 2 315 50 GLU CB C 29.37 0.2 1 316 50 GLU HG2 H 1.82 0.02 2 317 50 GLU HG3 H 1.90 0.02 2 318 50 GLU CG C 35.17 0.2 1 319 51 LEU H H 8.44 0.02 1 320 51 LEU N N 124.52 0.2 1 321 51 LEU HA H 3.82 0.02 1 322 51 LEU CA C 59.17 0.2 1 323 51 LEU HB2 H 1.90 0.02 2 324 51 LEU HB3 H 2.43 0.02 2 325 51 LEU CB C 41.67 0.2 1 326 51 LEU HG H 1.55 0.02 1 327 51 LEU CG C 26.57 0.2 1 328 51 LEU HD1 H 0.94 0.02 1 329 51 LEU CD1 C 27.77 0.2 1 330 51 LEU HD2 H 1.02 0.02 1 331 51 LEU CD2 C 26.57 0.2 1 332 51 LEU C C 177.70 0.2 1 333 52 GLU H H 8.52 0.02 1 334 52 GLU N N 118.22 0.2 1 335 52 GLU HA H 3.71 0.02 1 336 52 GLU CA C 60.87 0.2 1 337 52 GLU HB2 H 2.19 0.02 2 338 52 GLU HB3 H 2.45 0.02 2 339 52 GLU CB C 30.67 0.2 1 340 52 GLU C C 177.80 0.2 1 341 53 ARG H H 9.10 0.02 1 342 53 ARG N N 118.42 0.2 1 343 53 ARG HA H 3.92 0.02 1 344 53 ARG CA C 60.27 0.2 1 345 53 ARG HB2 H 1.92 0.02 2 346 53 ARG HB3 H 2.08 0.02 2 347 53 ARG CB C 30.47 0.2 1 348 53 ARG C C 179.10 0.2 1 349 54 THR H H 8.12 0.02 1 350 54 THR N N 117.72 0.2 1 351 54 THR HA H 3.86 0.02 1 352 54 THR CA C 67.47 0.2 1 353 54 THR HB H 4.16 0.02 1 354 54 THR CB C 67.87 0.2 1 355 54 THR HG2 H 1.12 0.02 1 356 54 THR CG2 C 20.97 0.2 1 357 55 LEU H H 8.33 0.02 1 358 55 LEU N N 122.42 0.2 1 359 55 LEU HA H 3.81 0.02 1 360 55 LEU CA C 58.57 0.2 1 361 55 LEU HB2 H 1.20 0.02 2 362 55 LEU HB3 H 1.80 0.02 2 363 55 LEU CB C 40.57 0.2 1 364 55 LEU HG H 1.98 0.02 1 365 55 LEU CG C 26.97 0.2 1 366 55 LEU HD1 H 0.78 0.02 1 367 55 LEU CD1 C 25.87 0.2 1 368 55 LEU HD2 H 0.77 0.02 1 369 55 LEU CD2 C 23.67 0.2 1 370 55 LEU C C 177.60 0.2 1 371 56 LEU H H 8.82 0.02 1 372 56 LEU N N 120.72 0.2 1 373 56 LEU HA H 4.00 0.02 1 374 56 LEU CA C 58.77 0.2 1 375 56 LEU HB2 H 1.72 0.02 2 376 56 LEU HB3 H 1.86 0.02 2 377 56 LEU CB C 41.77 0.2 1 378 56 LEU HG H 1.68 0.02 1 379 56 LEU CG C 27.67 0.2 1 380 56 LEU HD1 H 0.98 0.02 1 381 56 LEU CD1 C 23.87 0.2 1 382 56 LEU HD2 H 1.05 0.02 1 383 56 LEU CD2 C 26.17 0.2 1 384 56 LEU C C 178.20 0.2 1 385 57 THR H H 8.39 0.02 1 386 57 THR N N 114.22 0.2 1 387 57 THR HA H 3.81 0.02 1 388 57 THR CA C 67.27 0.2 1 389 57 THR HB H 4.31 0.02 1 391 57 THR HG2 H 1.29 0.02 1 392 57 THR CG2 C 21.17 0.2 1 393 57 THR C C 176.70 0.2 1 394 58 THR H H 7.77 0.02 1 395 58 THR N N 118.02 0.2 1 396 58 THR HA H 3.86 0.02 1 397 58 THR CA C 67.67 0.2 1 398 58 THR HB H 4.10 0.02 1 399 58 THR CB C 68.37 0.2 1 400 58 THR HG2 H 1.26 0.02 1 401 58 THR CG2 C 20.87 0.2 1 402 58 THR C C 175.80 0.2 1 403 59 ALA H H 8.68 0.02 1 404 59 ALA N N 124.62 0.2 1 405 59 ALA HA H 3.94 0.02 1 406 59 ALA CA C 55.77 0.2 1 407 59 ALA HB H 1.45 0.02 1 408 59 ALA CB C 18.07 0.2 1 409 59 ALA C C 178.50 0.2 1 410 60 LEU H H 8.57 0.02 1 411 60 LEU N N 117.22 0.2 1 412 60 LEU HA H 4.11 0.02 1 413 60 LEU CA C 57.37 0.2 1 414 60 LEU HB2 H 1.43 0.02 2 415 60 LEU HB3 H 1.92 0.02 2 417 60 LEU HG H 1.68 0.02 1 418 60 LEU CG C 27.57 0.2 1 419 60 LEU HD1 H 0.85 0.02 1 420 60 LEU CD1 C 25.77 0.2 1 421 60 LEU HD2 H 0.72 0.02 1 422 60 LEU CD2 C 23.67 0.2 1 423 60 LEU C C 179.10 0.2 1 424 61 ARG H H 7.79 0.02 1 425 61 ARG N N 119.82 0.2 1 426 61 ARG HA H 4.15 0.02 1 427 61 ARG CA C 59.47 0.2 1 428 61 ARG C C 179.60 0.2 1 429 62 HIS H H 8.07 0.02 1 430 62 HIS N N 120.22 0.2 1 431 62 HIS HA H 4.28 0.02 1 432 62 HIS CA C 59.97 0.2 1 433 62 HIS HB2 H 3.38 0.02 2 434 62 HIS HB3 H 3.21 0.02 2 435 62 HIS CB C 31.17 0.2 1 437 63 THR H H 8.15 0.02 1 439 63 THR HA H 4.48 0.02 1 440 63 THR CA C 60.97 0.2 1 441 63 THR HB H 4.91 0.02 1 443 63 THR HG2 H 1.31 0.02 1 444 63 THR CG2 C 22.17 0.2 1 445 63 THR C C 174.60 0.2 1 446 64 GLN H H 7.84 0.02 1 447 64 GLN N N 118.62 0.2 1 448 64 GLN HA H 3.98 0.02 1 449 64 GLN CA C 56.77 0.2 1 450 64 GLN HG2 H 2.33 0.02 2 451 64 GLN CG C 34.17 0.2 1 452 64 GLN C C 175.90 0.2 1 453 65 GLY H H 8.99 0.02 1 454 65 GLY N N 104.02 0.2 1 455 65 GLY HA2 H 4.14 0.02 2 456 65 GLY HA3 H 3.41 0.02 2 457 65 GLY CA C 45.37 0.2 1 458 65 GLY C C 173.50 0.2 1 459 66 HIS H H 7.59 0.02 1 460 66 HIS N N 120.42 0.2 1 461 66 HIS HA H 3.57 0.02 1 462 66 HIS CA C 56.17 0.2 1 463 66 HIS HB2 H 3.26 0.02 2 464 66 HIS HB3 H 3.56 0.02 2 465 66 HIS CB C 29.07 0.2 1 466 67 LYS HA H 3.79 0.02 1 467 67 LYS CA C 61.07 0.2 1 468 67 LYS C C 177.10 0.2 1 469 68 GLN H H 8.82 0.02 1 470 68 GLN N N 119.02 0.2 1 471 68 GLN HA H 4.05 0.02 1 472 68 GLN CA C 59.97 0.2 1 473 68 GLN HB2 H 2.23 0.02 2 474 68 GLN HB3 H 2.28 0.02 2 475 68 GLN CB C 27.77 0.2 1 476 68 GLN HG2 H 2.54 0.02 2 477 68 GLN CG C 34.47 0.2 1 478 68 GLN C C 178.80 0.2 1 479 69 GLU H H 8.60 0.02 1 480 69 GLU N N 120.32 0.2 1 481 69 GLU HA H 4.29 0.02 1 482 69 GLU CA C 58.87 0.2 1 483 69 GLU HB2 H 2.05 0.02 2 484 69 GLU HB3 H 1.95 0.02 2 485 69 GLU CB C 30.67 0.2 1 486 69 GLU HG2 H 2.25 0.02 2 487 69 GLU CG C 34.07 0.2 1 488 69 GLU C C 177.90 0.2 1 489 70 ALA H H 7.88 0.02 1 490 70 ALA N N 121.12 0.2 1 491 70 ALA HA H 3.90 0.02 1 492 70 ALA CA C 55.47 0.2 1 493 70 ALA HB H 1.41 0.02 1 494 70 ALA CB C 17.57 0.2 1 495 70 ALA C C 178.00 0.2 1 496 71 ALA H H 8.23 0.02 1 497 71 ALA N N 118.52 0.2 1 498 71 ALA HA H 3.95 0.02 1 499 71 ALA CA C 55.97 0.2 1 500 71 ALA HB H 1.72 0.02 1 502 71 ALA C C 179.10 0.2 1 503 72 ARG H H 7.68 0.02 1 504 72 ARG N N 118.52 0.2 1 505 72 ARG HA H 4.20 0.02 1 506 72 ARG CA C 59.37 0.2 1 507 72 ARG HB2 H 2.06 0.02 2 508 72 ARG CB C 30.07 0.2 1 509 72 ARG C C 179.20 0.2 1 510 73 LEU H H 7.80 0.02 1 511 73 LEU N N 118.22 0.2 1 512 73 LEU HA H 4.15 0.02 1 513 73 LEU CA C 57.37 0.2 1 514 73 LEU HB2 H 1.42 0.02 2 515 73 LEU HB3 H 1.98 0.02 2 517 73 LEU HD1 H 1.00 0.02 1 518 73 LEU CD1 C 26.17 0.2 1 519 73 LEU HD2 H 0.97 0.02 1 520 73 LEU CD2 C 21.97 0.2 1 521 73 LEU C C 177.40 0.2 1 522 74 LEU H H 7.67 0.02 1 523 74 LEU N N 117.32 0.2 1 524 74 LEU HA H 3.95 0.02 1 525 74 LEU CA C 56.67 0.2 1 526 74 LEU HB2 H 1.35 0.02 2 527 74 LEU HB3 H 0.74 0.02 2 528 74 LEU CB C 41.97 0.2 1 529 74 LEU HG H 1.72 0.02 1 530 74 LEU CG C 25.97 0.2 1 531 74 LEU HD1 H 0.46 0.02 1 532 74 LEU CD1 C 25.47 0.2 1 533 74 LEU HD2 H 0.36 0.02 1 534 74 LEU CD2 C 23.77 0.2 1 536 75 GLY H H 8.06 0.02 1 538 75 GLY HA2 H 4.42 0.02 2 539 75 GLY HA3 H 3.85 0.02 2 540 75 GLY CA C 45.17 0.2 1 541 75 GLY C C 174.20 0.2 1 542 76 TRP H H 7.96 0.02 1 543 76 TRP N N 121.52 0.2 1 544 76 TRP HA H 5.33 0.02 1 545 76 TRP CA C 53.37 0.2 1 546 76 TRP HB2 H 3.33 0.02 2 547 76 TRP HB3 H 3.07 0.02 2 548 76 TRP CB C 32.77 0.2 1 549 76 TRP HD1 H 7.20 0.02 1 550 76 TRP CD1 C 124.67 0.2 1 551 76 TRP HE3 H 7.13 0.02 1 552 76 TRP CE3 C 118.47 0.2 1 553 76 TRP HZ2 H 7.32 0.02 1 554 76 TRP CZ2 C 114.17 0.2 1 555 76 TRP HZ3 H 6.88 0.02 1 556 76 TRP CZ3 C 120.77 0.2 1 557 76 TRP HH2 H 6.89 0.02 1 558 76 TRP CH2 C 122.77 0.2 1 559 76 TRP HE1 H 10.17 0.02 1 560 76 TRP NE1 N 129.20 0.2 1 561 76 TRP C C 176.60 0.2 1 562 77 GLY H H 8.53 0.02 1 563 77 GLY N N 106.72 0.2 1 564 77 GLY HA2 H 4.39 0.02 2 565 77 GLY HA3 H 3.98 0.02 2 566 77 GLY CA C 44.27 0.2 1 567 77 GLY C C 174.60 0.2 1 568 78 ALA H H 8.74 0.02 1 569 78 ALA N N 124.12 0.2 1 570 78 ALA HA H 4.00 0.02 1 571 78 ALA CA C 55.97 0.2 1 572 78 ALA HB H 1.54 0.02 1 573 78 ALA CB C 18.07 0.2 1 574 79 ALA HA H 4.22 0.02 1 575 79 ALA CA C 54.97 0.2 1 576 79 ALA HB H 1.48 0.02 1 577 79 ALA CB C 17.67 0.2 1 578 79 ALA C C 180.40 0.2 1 579 80 THR H H 7.52 0.02 1 580 80 THR N N 117.02 0.2 1 581 80 THR HA H 3.80 0.02 1 582 80 THR CA C 65.77 0.2 1 583 80 THR HB H 3.96 0.02 1 585 80 THR HG2 H 0.33 0.02 1 586 80 THR CG2 C 21.07 0.2 1 587 80 THR C C 174.60 0.2 1 588 81 LEU H H 7.92 0.02 1 589 81 LEU N N 121.42 0.2 1 590 81 LEU HA H 3.86 0.02 1 591 81 LEU CA C 59.47 0.2 1 592 81 LEU HB2 H 1.71 0.02 2 593 81 LEU HB3 H 2.17 0.02 2 594 81 LEU CB C 41.07 0.2 1 595 81 LEU HG H 1.82 0.02 1 596 81 LEU CG C 27.47 0.2 1 597 81 LEU HD1 H 1.11 0.02 1 598 81 LEU CD1 C 25.57 0.2 1 599 81 LEU HD2 H 1.02 0.02 1 600 81 LEU CD2 C 26.27 0.2 1 601 81 LEU C C 177.10 0.2 1 602 82 THR H H 8.06 0.02 1 603 82 THR N N 114.02 0.2 1 604 82 THR HA H 3.74 0.02 1 605 82 THR CA C 67.27 0.2 1 606 82 THR HB H 4.22 0.02 1 607 82 THR CB C 68.67 0.2 1 608 82 THR HG2 H 1.29 0.02 1 609 82 THR CG2 C 21.77 0.2 1 610 82 THR C C 175.70 0.2 1 611 83 ALA H H 7.46 0.02 1 612 83 ALA N N 123.22 0.2 1 613 83 ALA HA H 4.11 0.02 1 614 83 ALA CA C 55.07 0.2 1 615 83 ALA HB H 1.47 0.02 1 616 83 ALA CB C 17.87 0.2 1 617 83 ALA C C 180.40 0.2 1 618 84 LYS H H 8.46 0.02 1 619 84 LYS N N 120.52 0.2 1 620 84 LYS HA H 3.93 0.02 1 621 84 LYS CA C 57.47 0.2 1 622 84 LYS C C 178.10 0.2 1 623 85 LEU H H 8.37 0.02 1 624 85 LEU N N 118.82 0.2 1 625 85 LEU HA H 3.90 0.02 1 626 85 LEU CA C 58.67 0.2 1 627 85 LEU HB2 H 1.36 0.02 2 628 85 LEU HB3 H 2.01 0.02 2 630 85 LEU HD1 H 0.93 0.02 1 631 85 LEU CD1 C 26.47 0.2 1 632 85 LEU HD2 H 0.93 0.02 1 633 85 LEU CD2 C 23.97 0.2 1 634 85 LEU C C 178.60 0.2 1 635 86 LYS H H 7.06 0.02 1 636 86 LYS N N 116.22 0.2 1 637 86 LYS HA H 4.26 0.02 1 638 86 LYS CA C 58.57 0.2 1 639 86 LYS HB2 H 2.02 0.02 2 641 86 LYS C C 179.70 0.2 1 642 87 GLU H H 8.34 0.02 1 643 87 GLU N N 122.22 0.2 1 644 87 GLU HA H 3.98 0.02 1 645 87 GLU CA C 59.27 0.2 1 646 87 GLU HB2 H 2.14 0.02 2 647 87 GLU HB3 H 2.20 0.02 2 648 87 GLU CB C 30.67 0.2 1 649 87 GLU HG2 H 2.20 0.02 2 650 87 GLU HG3 H 2.44 0.02 2 651 87 GLU CG C 35.97 0.2 1 652 87 GLU C C 177.70 0.2 1 653 88 LEU H H 8.39 0.02 1 655 88 LEU HA H 4.40 0.02 1 657 88 LEU HB2 H 1.85 0.02 2 658 88 LEU HB3 H 1.60 0.02 2 660 88 LEU HG H 1.96 0.02 1 661 88 LEU CG C 27.17 0.2 1 662 88 LEU HD1 H 0.97 0.02 1 663 88 LEU CD1 C 26.17 0.2 1 664 88 LEU HD2 H 1.09 0.02 1 665 88 LEU CD2 C 22.17 0.2 1 667 89 GLY H H 7.77 0.02 1 669 89 GLY HA2 H 4.04 0.02 2 670 89 GLY HA3 H 4.06 0.02 2 673 90 MET H H 8.33 0.02 1 675 90 MET HA H 4.43 0.02 1 678 91 GLU H H 7.64 0.02 1 680 91 GLU HA H 4.06 0.02 1 682 91 GLU HB2 H 1.82 0.02 2 683 91 GLU HB3 H 2.02 0.02 2 685 91 GLU HG2 H 2.12 0.02 2 686 91 GLU HG3 H 2.18 0.02 2 687 91 GLU CG C 37.17 0.2 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Porter, S. C., North, A. K., Wedel, A. B., Kustu, S. (1993). Oligomerization of NtrC at the GlnA Enhancer Is Required for Transcriptional Activation. Genes Dev. 7, 2258-2273. ; save_