data_4108 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Acid/Urea denatured cold shock protein A (CspA) ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Alexandrescu Andrei T. . 2 Rathgeb-Szabo K. . . stop_ _BMRB_accession_number 4108 _BMRB_flat_file_name bmr4108.str _Entry_type new _Submission_date 1998-02-16 _Accession_date 1998-02-17 _Entry_origination author _NMR_STAR_version 2.1 _Experimental_method NMR _Details ; NMR assignments for acid/urea denatured (pH 2.7/ 6M urea), temperature = 20 C) cold shock protein A. Residual structure in the acid denatured protein induces aggregation, and eventually fibril formation. NMR experiments aimed at understanding the mechanisms of aggregation & polymerization are in progress. NMR assignments for acid denatured CspA made use of data for the acid/urea denatured protein (pH 2.7/ 6M urea), to overcome problems with broad lines in the acid denatured state. The acid & acid/urea denatured forms of the protein are in fast exchange. NMR assignments for the acid denatured protein have been deposited in a separate entry. Denatured (e.g. non-native) protein. ; loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 72 '13C chemical shifts' 138 '15N chemical shifts' 72 stop_ loop_ _Related_BMRB_accession_number _Relationship 4107 'chemical shifts for CspA in the acid denatured state' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Alexandrescu, A. T., and Rathgeb-Szabo, K., "NMR Assignments for Acid-Denatured Cold Shock Protein A," J. Biomol. NMR 11, 461-462 (1998). ; _Citation_title ; NMR Assignments for Acid-Denatured Cold Shock Protein A ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 98356294 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Alexandrescu Andrei T. . 2 Rathgeb-Szabo K. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 11 _Journal_issue 4 _Page_first 461 _Page_last 462 _Year 1998 loop_ _Keyword CspA CspA-Urea 'protein folding' 'fibril formation' aggregation stop_ save_ ################################## # Molecular system description # ################################## save_system_CspA-Urea _Saveframe_category molecular_system _Mol_system_name CspA _Abbreviation_common CspA loop_ _Mol_system_component_name _Mol_label CspA $CspA stop_ _System_physical_state denatured _System_oligomer_state monomer _System_paramagnetic no loop_ _Biological_function 'transcription regulator' stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1MJC "Major Cold Shock Protein 7.4 (Cspa (Cs 7.4)) Of (Escherichia Coli)" . PDB 3MEF "A Chain A, Major Cold-Shock Protein From Escherichia Coli Solution Nmr Structure" . stop_ save_ ######################## # Monomeric polymers # ######################## save_CspA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Cold shock protein A' _Name_variant CspA _Abbreviation_common CspA _Molecular_mass 7400 ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; MSGKMTGIVKWFNADKGFGF ITPDDGSKDVFVHFSAIQND GYKSLDEGQKVSFTIESGAK GPAAGNVTSL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLY 4 LYS 5 MET 6 THR 7 GLY 8 ILE 9 VAL 10 LYS 11 TRP 12 PHE 13 ASN 14 ALA 15 ASP 16 LYS 17 GLY 18 PHE 19 GLY 20 PHE 21 ILE 22 THR 23 PRO 24 ASP 25 ASP 26 GLY 27 SER 28 LYS 29 ASP 30 VAL 31 PHE 32 VAL 33 HIS 34 PHE 35 SER 36 ALA 37 ILE 38 GLN 39 ASN 40 ASP 41 GLY 42 TYR 43 LYS 44 SER 45 LEU 46 ASP 47 GLU 48 GLY 49 GLN 50 LYS 51 VAL 52 SER 53 PHE 54 THR 55 ILE 56 GLU 57 SER 58 GLY 59 ALA 60 LYS 61 GLY 62 PRO 63 ALA 64 ALA 65 GLY 66 ASN 67 VAL 68 THR 69 SER 70 LEU stop_ _Sequence_homology_query_date 2008-09-24 _Sequence_homology_query_revised_last_date 2008-09-24 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 BMRB 4107 "Cold shock protein A" 100.00 70 100.00 100.00 1.68e-32 BMRB 4296 "Cold shock protein A" 100.00 70 100.00 100.00 1.68e-32 PDB 1MJC "Crystal Structure Of Cspa, The Major Cold Shock Protein Of Escherichia Coli" 98.57 69 100.00 100.00 1.08e-31 PDB 3MEF "Major Cold-Shock Protein From Escherichia Coli Solution Nmr Structure" 97.14 69 100.00 100.00 2.97e-31 DBJ BAB37864 "cold shock protein 7.4 [Escherichia coli O157:H7 str. Sakai]" 100.00 70 100.00 100.00 1.68e-32 DBJ BAE77739 "major cold shock protein [Escherichia coli W3110]" 100.00 70 100.00 100.00 1.68e-32 EMBL CAD07979 "cold shock protein [Salmonella enterica subsp. enterica serovar Typhi]" 100.00 70 100.00 100.00 1.68e-32 EMBL CAR61529 "cold shock protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" 100.00 70 100.00 100.00 1.68e-32 GenBank AAA23617 "cold shock protein (cspA)" 100.00 70 100.00 100.00 1.68e-32 GenBank AAB18533 "cold regulated [Escherichia coli]" 100.00 70 100.00 100.00 1.68e-32 GenBank AAB66357 "DNA-binding protein" 100.00 70 98.57 98.57 4.97e-32 GenBank AAB69447 "cold shock protein [Salmonella enteritidis]" 100.00 70 100.00 100.00 1.68e-32 GenBank AAC06036 "cold shock protein A [Salmonella typhimurium]" 100.00 70 100.00 100.00 1.68e-32 PIR AG0981 "cold shock protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 70 100.00 100.00 1.68e-32 REF AP_004238 "major cold shock protein [Escherichia coli W3110]" 100.00 70 100.00 100.00 1.68e-32 REF NP_290141 "major cold shock protein [Escherichia coli O157:H7 EDL933]" 100.00 70 100.00 100.00 1.68e-32 REF NP_312468 "major cold shock protein [Escherichia coli O157:H7 str. Sakai]" 100.00 70 100.00 100.00 1.68e-32 REF NP_418012 "major cold shock protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 70 100.00 100.00 1.68e-32 REF NP_458276 "major cold shock protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 70 100.00 100.00 1.68e-32 SWISS-PROT P0A9X9 "Cold shock protein cspA (CSP-A) (7.4 kDa cold shock protein) (CS7.4)" 100.00 70 100.00 100.00 1.68e-32 SWISS-PROT P0A9Y0 "Cold shock protein cspA (CSP-A) (7.4 kDa cold shock protein) (CS7.4)" 100.00 70 100.00 100.00 1.68e-32 SWISS-PROT P0A9Y1 "Cold shock protein cspA (CSP-A) (7.4 kDa cold shock protein) (CS7.4)" 100.00 70 100.00 100.00 1.68e-32 SWISS-PROT P0A9Y2 "Cold shock protein cspA (CSP-A) (7.4 kDa cold shock protein) (CS7.4)" 100.00 70 100.00 100.00 1.68e-32 SWISS-PROT P0A9Y3 "Cold shock protein cspA (CSP-A) (7.4 kDa cold shock protein) (CS7.4)" 100.00 70 100.00 100.00 1.68e-32 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 $CspA 'E. coli' 562 Eubacteria . Escherichia coli . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Gene_source _Details $CspA 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET11-cspA synthetic ; Clone is a gift from M. Inouye, Rutgers University: Reference - S. Chatterjee, W. Jiang, S.D. Emerson, M. Inouye, "The backbone structure of the major cold-shock protein CS7.4 of Escherichia coli in solution includes extensive b-sheet structure", J. Biochem., Vol 114, pp 663-669, (1993). ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CspA 2 mM . . '[U-15N;U-13C]' Urea 6 M . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity+600 _Field_strength 600 save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.7 0.2 n/a temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 _Indirect_shift_ratio _Indirect_shift_ratio_citation_label DSS H 1 methyl ppm 0.00 internal direct . . DSS C 13 methyl ppm 0.00 external indirect 0.251449530 $citation_one DSS N 15 methyl ppm 0.00 external indirect 0.101329118 $citation_one stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name CspA 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 2 SER CA C 57.2 0.4 1 2 2 SER CB C 62.8 0.4 1 3 3 GLY H H 8.59 0.01 1 4 3 GLY CA C 45.2 0.4 1 5 3 GLY N N 109.6 0.1 1 6 4 LYS H H 8.24 0.01 1 7 4 LYS CA C 56.3 0.4 1 8 4 LYS CB C 33.1 0.4 1 9 4 LYS N N 121.3 0.1 1 10 5 MET H H 8.44 0.01 1 11 5 MET CA C 55.5 0.4 1 12 5 MET CB C 32.7 0.4 1 13 5 MET N N 122.2 0.1 1 14 6 THR H H 8.07 0.01 1 15 6 THR CA C 61.5 0.4 1 16 6 THR CB C 69.7 0.4 1 17 6 THR N N 115.4 0.1 1 18 7 GLY H H 8.26 0.01 1 19 7 GLY CA C 45.2 0.4 1 20 7 GLY N N 110.9 0.1 1 21 8 ILE H H 7.89 0.01 1 22 8 ILE CA C 60.6 0.4 1 23 8 ILE CB C 38.7 0.4 1 24 8 ILE N N 120.2 0.1 1 25 9 VAL H H 8.09 0.01 1 26 9 VAL CA C 61.9 0.4 1 27 9 VAL CB C 32.7 0.4 1 28 9 VAL N N 125.3 0.1 1 29 10 LYS H H 8.16 0.01 1 30 10 LYS CA C 55.9 0.4 1 31 10 LYS CB C 33.1 0.4 1 32 10 LYS N N 125.6 0.1 1 33 11 TRP H H 7.95 0.01 1 34 11 TRP CA C 56.8 0.4 1 35 11 TRP CB C 29.7 0.4 1 36 11 TRP N N 122.3 0.1 1 37 12 PHE H H 7.84 0.01 1 38 12 PHE N N 122.1 0.1 1 39 13 ASN H H 8.07 0.01 1 40 13 ASN CB C 38.7 0.4 1 41 13 ASN N N 121.00 0.1 1 42 14 ALA H H 8.04 0.01 1 43 14 ALA CA C 52.5 0.4 1 44 14 ALA CB C 18.9 0.4 1 45 14 ALA N N 124.7 0.1 1 46 15 ASP H H 8.19 0.01 1 47 15 ASP CA C 52.9 0.4 1 48 15 ASP CB C 37.9 0.4 1 49 15 ASP N N 117.3 0.1 1 50 16 LYS H H 7.97 0.01 1 51 16 LYS CA C 56.3 0.4 1 52 16 LYS CB C 32.7 0.4 1 53 16 LYS N N 121.1 0.1 1 54 17 GLY H H 8.07 0.01 1 55 17 GLY CA C 45.2 0.4 1 56 17 GLY N N 109.00 0.1 1 57 18 PHE H H 7.97 0.01 1 58 18 PHE CA C 57.6 0.4 1 59 18 PHE CB C 39.6 0.4 1 60 18 PHE N N 119.6 0.1 1 61 19 GLY H H 8.17 0.01 1 62 19 GLY CA C 45.2 0.4 1 63 19 GLY N N 110.1 0.1 1 64 20 PHE H H 7.86 0.01 1 65 20 PHE CA C 57.6 0.4 1 66 20 PHE CB C 39.6 0.4 1 67 20 PHE N N 120.00 0.1 1 68 21 ILE H H 8.02 0.01 1 69 21 ILE CB C 40.00 0.4 1 70 21 ILE N N 123.4 0.1 1 71 22 THR H H 8.11 0.01 1 72 22 THR CB C 69.7 0.4 1 73 22 THR N N 121.2 0.1 1 74 23 PRO CA C 63.2 0.4 1 75 23 PRO CB C 32.3 0.4 1 76 24 ASP H H 8.4 0.01 1 77 24 ASP CA C 52.9 0.4 1 78 24 ASP CB C 37.9 0.4 1 79 24 ASP N N 118.9 0.1 1 80 25 ASP H H 8.36 0.01 1 81 25 ASP CA C 52.9 0.4 1 82 25 ASP CB C 38.3 0.4 1 83 25 ASP N N 119.5 0.1 1 84 26 GLY H H 8.19 0.01 1 85 26 GLY CA C 45.2 0.4 1 86 26 GLY N N 109.00 0.1 1 87 27 SER H H 8.02 0.01 1 88 27 SER CA C 58.5 0.4 1 89 27 SER CB C 63.6 0.4 1 90 27 SER N N 115.4 0.1 1 91 28 LYS H H 8.22 0.01 1 92 28 LYS CA C 58.5 0.4 1 93 28 LYS CB C 33.1 0.4 1 94 28 LYS N N 122.7 0.1 1 95 29 ASP H H 8.28 0.01 1 96 29 ASP CA C 52.9 0.4 1 97 29 ASP CB C 37.9 0.4 1 98 29 ASP N N 119.7 0.1 1 99 30 VAL H H 7.8 0.01 1 100 30 VAL CA C 61.9 0.4 1 101 30 VAL CB C 32.7 0.4 1 102 30 VAL N N 120.00 0.1 1 103 31 PHE H H 8.11 0.01 1 104 31 PHE CA C 57.2 0.4 1 105 31 PHE CB C 39.6 0.4 1 106 31 PHE N N 123.7 0.1 1 107 32 VAL H H 7.86 0.01 1 108 32 VAL CA C 61.9 0.4 1 109 32 VAL CB C 33.1 0.4 1 110 32 VAL N N 122.00 0.1 1 111 33 HIS H H 8.35 0.01 1 112 33 HIS CA C 54.6 0.4 1 113 33 HIS CB C 29.3 0.4 1 114 33 HIS N N 122.2 0.1 1 115 34 PHE H H 8.27 0.01 1 116 34 PHE CA C 57.6 0.4 1 117 34 PHE CB C 40.00 0.4 1 118 34 PHE N N 123.00 0.1 1 119 35 SER H H 8.2 0.01 1 120 35 SER CA C 57.6 0.4 1 121 35 SER CB C 63.6 0.4 1 122 35 SER N N 118.2 0.1 1 123 36 ALA H H 8.2 0.01 1 124 36 ALA CA C 52.5 0.4 1 125 36 ALA CB C 19.4 0.4 1 126 36 ALA N N 126.4 0.1 1 127 37 ILE H H 7.92 0.01 1 128 37 ILE CA C 61.1 0.4 1 129 37 ILE CB C 38.7 0.4 1 130 37 ILE N N 119.7 0.1 1 131 38 GLN H H 8.26 0.01 1 132 38 GLN CA C 55.5 0.4 1 133 38 GLN CB C 29.3 0.4 1 134 38 GLN N N 124.3 0.1 1 135 39 ASN H H 8.36 0.01 1 136 39 ASN CA C 53.3 0.4 1 137 39 ASN CB C 38.7 0.4 1 138 39 ASN N N 120.3 0.1 1 139 40 ASP H H 8.27 0.01 1 140 40 ASP CA C 52.9 0.4 1 141 40 ASP CB C 38.3 0.4 1 142 40 ASP N N 119.7 0.1 1 143 41 GLY H H 8.23 0.01 1 144 41 GLY CA C 45.2 0.4 1 145 41 GLY N N 108.9 0.1 1 146 42 TYR H H 7.85 0.01 1 147 42 TYR CA C 58.1 0.4 1 148 42 TYR CB C 38.7 0.4 1 149 42 TYR N N 120.00 0.1 1 150 43 LYS H H 8.02 0.01 1 151 43 LYS CA C 55.9 0.4 1 152 43 LYS CB C 33.1 0.4 1 153 43 LYS N N 123.4 0.1 1 154 44 SER H H 8.09 0.01 1 155 44 SER CA C 58.1 0.4 1 156 44 SER CB C 63.6 0.4 1 157 44 SER N N 116.9 0.1 1 158 45 LEU H H 8.17 0.01 1 159 45 LEU CA C 55.00 0.4 1 160 45 LEU CB C 42.2 0.4 1 161 45 LEU N N 124.00 0.1 1 162 46 ASP H H 8.34 0.01 1 163 46 ASP CA C 52.9 0.4 1 164 46 ASP CB C 37.9 0.4 1 165 46 ASP N N 119.3 0.1 1 166 47 GLU H H 8.17 0.01 1 167 47 GLU CA C 55.9 0.4 1 168 47 GLU CB C 28.8 0.4 1 169 47 GLU N N 120.7 0.1 1 170 48 GLY H H 8.24 0.01 1 171 48 GLY CA C 45.2 0.4 1 172 48 GLY N N 109.3 0.1 1 173 49 GLN H H 8.06 0.01 1 174 49 GLN CA C 55.5 0.4 1 175 49 GLN CB C 29.7 0.4 1 176 49 GLN N N 119.8 0.1 1 177 50 LYS H H 8.3 0.01 1 178 50 LYS CA C 56.3 0.4 1 179 50 LYS CB C 33.1 0.4 1 180 50 LYS N N 123.2 0.1 1 181 51 VAL H H 8.07 0.01 1 182 51 VAL CA C 61.9 0.4 1 183 51 VAL CB C 33.1 0.4 1 184 51 VAL N N 121.6 0.1 1 185 52 SER H H 8.19 0.01 1 186 52 SER CA C 57.6 0.4 1 187 52 SER CB C 63.6 0.4 1 188 52 SER N N 119.4 0.1 1 189 53 PHE H H 8.14 0.01 1 190 53 PHE CA C 57.6 0.4 1 191 53 PHE CB C 40.00 0.4 1 192 53 PHE N N 122.5 0.1 1 193 54 THR H H 8.06 0.01 1 194 54 THR CA C 61.5 0.4 1 195 54 THR CB C 69.7 0.4 1 196 54 THR N N 116.6 0.1 1 197 55 ILE H H 8.11 0.01 1 198 55 ILE CA C 61.1 0.4 1 199 55 ILE CB C 38.7 0.4 1 200 55 ILE N N 123.6 0.1 1 201 56 GLU H H 8.34 0.01 1 202 56 GLU CA C 55.5 0.4 1 203 56 GLU CB C 28.8 0.4 1 204 56 GLU N N 124.6 0.1 1 205 57 SER H H 8.24 0.01 1 206 57 SER CA C 58.5 0.4 1 207 57 SER CB C 63.6 0.4 1 208 57 SER N N 117.3 0.1 1 209 58 GLY H H 8.28 0.01 1 210 58 GLY CA C 45.2 0.4 1 211 58 GLY N N 110.9 0.1 1 212 59 ALA H H 7.99 0.01 1 213 59 ALA CA C 52.5 0.4 1 214 59 ALA CB C 19.4 0.4 1 215 59 ALA N N 123.7 0.1 1 216 60 LYS H H 8.22 0.01 1 217 60 LYS CA C 55.9 0.4 1 218 60 LYS CB C 33.5 0.4 1 219 60 LYS N N 120.5 0.1 1 220 61 GLY H H 8.08 0.01 1 221 61 GLY CA C 44.3 0.4 1 222 61 GLY N N 109.8 0.1 1 223 62 PRO CA C 62.8 0.4 1 224 62 PRO CB C 32.3 0.4 1 225 63 ALA H H 8.28 0.01 1 226 63 ALA CA C 52.5 0.4 1 227 63 ALA CB C 18.9 0.4 1 228 63 ALA N N 124.4 0.1 1 229 64 ALA H H 8.11 0.01 1 230 64 ALA CA C 52.5 0.4 1 231 64 ALA CB C 19.4 0.4 1 232 64 ALA N N 123.3 0.1 1 233 65 GLY H H 8.14 0.01 1 234 65 GLY CA C 45.2 0.4 1 235 65 GLY N N 107.5 0.1 1 236 66 ASN H H 8.18 0.01 1 237 66 ASN CA C 52.9 0.4 1 238 66 ASN CB C 38.7 0.4 1 239 66 ASN N N 118.7 0.1 1 240 67 VAL H H 8.04 0.01 1 241 67 VAL CA C 62.4 0.4 1 242 67 VAL CB C 32.7 0.4 1 243 67 VAL N N 120.1 0.1 1 244 68 THR H H 8.15 0.01 1 245 68 THR CA C 61.5 0.4 1 246 68 THR CB C 69.7 0.4 1 247 68 THR N N 117.6 0.1 1 248 69 SER H H 8.15 0.01 1 249 69 SER CA C 58.1 0.4 1 250 69 SER CB C 63.6 0.4 1 251 69 SER N N 118.3 0.1 1 252 70 LEU H H 8.17 0.01 1 253 70 LEU CA C 54.2 0.4 1 254 70 LEU CB C 42.4 0.4 1 255 70 LEU N N 124.7 0.1 1 stop_ save_ save_chemical_shift_assignment_two _Saveframe_category assigned_chemical_shifts _Details ; Minor 10% form assigned to CIS PRO 62 ; loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name CspA 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 56 GLU CA C 55.00 0.4 1 2 56 GLU CB C 32.7 0.4 1 3 57 SER H H 8.71 0.01 1 4 57 SER CA C 58.1 0.4 1 5 57 SER CB C 63.6 0.4 1 6 57 SER N N 119.2 0.1 1 7 58 GLY H H 8.38 0.01 1 8 58 GLY CA C 45.2 0.4 1 9 58 GLY N N 110.9 0.1 1 10 60 LYS CA C 56.3 0.4 1 11 60 LYS CB C 33.1 0.4 1 12 61 GLY H H 8.15 0.01 1 13 61 GLY CA C 44.7 0.4 1 14 61 GLY N N 109.3 0.1 1 15 62 PRO CA C 62.4 0.4 1 16 62 PRO CB C 34.4 0.4 1 17 63 ALA H H 8.44 0.01 1 18 63 ALA CA C 52.5 0.4 1 19 63 ALA CB C 19.4 0.4 1 20 63 ALA N N 125.00 0.1 1 21 64 ALA H H 8.26 0.01 1 22 64 ALA CA C 52.5 0.4 1 23 64 ALA CB C 19.4 0.4 1 24 64 ALA N N 123.6 0.1 1 25 65 GLY H H 8.18 0.01 1 26 65 GLY CA C 45.2 0.4 1 27 65 GLY N N 107.6 0.1 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Wishart, D. S., Bigam, C. G., Yao J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., Sykes, B. D., "1H, 13C and 15N Chemical Shift Referencing in Biomolecular NMR," J. Biomol. NMR 6, 135-140 (1995). ; save_