data_4296 #Corrected using PDB structure: 1MJC_ # #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 # 19 G HA 3.95 2.89 # 39 N HA 4.63 3.59 # 47 E HA 3.60 4.31 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 42 Y CB 38.32 43.48 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.02 -0.04 0.02 -0.12 -0.62 -0.05 # #bmr4296.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4296.str file): #HA CA CB CO N HN #N/A -0.01 -0.01 -0.12 -0.62 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 +/-0.18 +/-0.21 +/-0.20 +/-0.48 +/-0.09 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.781 0.977 0.995 0.795 0.902 0.725 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.150 0.754 0.791 0.820 1.961 0.350 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for E. coli Cold-shock Protein A (CspA) ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Wenqing . . 2 Tejero Roberto . . 3 Zimmerman Diane E. . 4 Inouye Masayori . . 5 Montelione Gaetano T. . stop_ _BMRB_accession_number 4296 _BMRB_flat_file_name bmr4296.str _Entry_type new _Submission_date 1999-01-18 _Accession_date 1999-01-19 _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' 387 '13C chemical shifts' 244 '15N chemical shifts' 72 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Feng, W., Tejero, R., Zimmerman, D. E., Inouye, M., and Montelione, G. T., "Solution NMR Structure and Backbone Dynamics of the Major Cold-shock Protein (CspA) from Escherichia coli: Evidence for Conformational Dyanamics in the Single-stranded RNA-binding Site," Biochemistry 37, 10881-10896 (1998). ; _Citation_title ; Solution NMR Structure and Backbone Dynamics of the Major Cold-shock Protein (CspA) from Escherichia coli: Evidence for Conformational Dyanamics in the Single-stranded RNA-binding Site ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 98359762 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Wenqing . . 2 Tejero Roberto . . 3 Zimmerman Diane E. . 4 Inouye Masayori . . 5 Montelione Gaetano T. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 37 _Page_first 10881 _Page_last 10896 _Year 1998 loop_ _Keyword "RNA-binding protein" "DNA-binding protein" "15N relaxation" "OB fold" "transcriptional regulation" stop_ save_ ################################## # Molecular system description # ################################## save_system_CspA _Saveframe_category molecular_system _Mol_system_name "Major cold shock protein from E. coli" _Abbreviation_common CspA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "CspA monomer" $CspA stop_ _System_physical_state native _System_oligomer_state momomer _System_paramagnetic no loop_ _Biological_function 'single-strand RNA binding protein' 'single-strand DNA binding protein' 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 . _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 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 1MJC "Major Cold Shock Protein 7.4 (Cspa (Cs 7.4))Of (Escherichia Coli)" 101.45 69 100 100 6e-34 PDB 3MEF "A Chain A, Major Cold-Shock Protein FromEscherichia Coli Solution Nmr Structure" 101.45 69 100 100 2e-33 DBJ BAB37864.1 "cold shock protein 7.4 [Escherichiacoli O157:H7]" 100.00 70 100 100 2e-34 EMBL CAD07979.1 "cold shock protein [Salmonellaenterica subsp. enterica serovar Typhi]" 100.00 70 100 100 2e-34 GenBank AAA23617.1 "cold shock protein (cspA)" 100.00 70 100 100 2e-34 GenBank AAB18533.1 "cold regulated [Escherichia coli]" 100.00 70 100 100 2e-34 GenBank AAB69447.1 "cold shock protein [Salmonellaenteritidis]" 100.00 70 100 100 2e-34 GenBank AAC06036.1 "cold shock protein A [Salmonellatyphimurium]" 100.00 70 100 100 2e-34 GenBank AAC76580.1 "cold shock protein 7.4, transcriptionalactivator of hns; major cold shock protein 7.4,transcription antiterminator of hns, ssDNA-bindingproperty [Escherichia coli K12]" 100.00 70 100 100 2e-34 PIR A91184 "cold shock protein 7.4 [imported] -Escherichia coli (strain O157:H7, substrain RIMD0509952)" 100.00 70 100 100 2e-34 PIR AG0981 "cold shock protein [imported] -Salmonella enterica subsp. enterica serovar Typhi(strain CT18)" 100.00 70 100 100 2e-34 PIR E86030 "cold shock protein 7.4 [imported] -Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 70 100 100 2e-34 PIR OCECJ "major cold shock protein cspA - Escherichiacoli (strain K-12)" 100.00 70 100 100 2e-34 REF NP_290141.1 "cold shock protein 7.4,transcriptional activator of hns [Escherichia coliO157:H7 EDL933]" 100.00 70 100 100 2e-34 REF NP_312468.1 "cold shock protein 7.4 [Escherichiacoli O157:H7]" 100.00 70 100 100 2e-34 REF NP_418012.1 "cold shock protein 7.4,transcriptional activator of hns; major cold shockprotein 7.4, transcription antiterminator of hns,ssDNA-binding property [Escherichia coli K12]" 100.00 70 100 100 2e-34 REF NP_458276.1 "cold shock protein [Salmonellaenterica subsp. enterica serovar Typhi str. CT18]" 100.00 70 100 100 2e-34 REF NP_462550.1 "major cold shock protein [Salmonellatyphimurium LT2]" 100.00 70 100 100 2e-34 SWISS-PROT Q46051 "CSPA_CITFR Major cold-shock protein" 152.17 46 100 100 6e-20 SWISS-PROT Q46664 "CSPA_ENTAE Major cold-shock protein" 152.17 46 100 100 6e-20 SWISS-PROT Q53816 "CSPA_SHIBO Major cold-shock protein" 152.17 46 100 100 6e-20 SWISS-PROT Q56178 "CSPA_SALVI Major cold-shock protein" 152.17 46 100 100 6e-20 SWISS-PROT P15277 "CSPA_ECOLI Cold shock protein cspA (CSP-A)(7.4 kDa cold shock protein) (CS7.4)" 100.00 70 100 100 2e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction _Gene_mnemonic $CspA "E. coli" 562 Eubacteria . Escherichia coli cytoplasmic cspA 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 _Details $CspA 'recombinant technology' . . . . . "Produced using plasmid pET11-CspA in E. coli strain BL21(DE3)" stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; Samples were prepared in H2O containing 5% deuterium oxide for locking purposes. Solutions were buffered at pH* 6.0 +/- 0.1. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CspA . mM 1.0 3.0 "[U-98% 13C; U-90% 15N]" KH2PO4 50 mM . . . NaEDTA 0.1 mM . . . NaN3 1 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 1.0 loop_ _Task ; automated analysis of backbone N, C, H, and sidechain Cb resonance assignments ; stop_ _Citation_label $ref_2 _Details ; In-house developed software for automatic analysis of resonance assignments from triple-resonance spectra. ; save_ save_Varian_VNMR _Saveframe_category software _Name Varian_VNMR _Version 5.3 loop_ _Vendor _Address "Varian Associates" "Palo Alto, CA" stop_ loop_ _Task "Data collection and processing of 3D Fourier transforms" stop_ save_ save_NMRCompass _Saveframe_category software _Name NMRCompass loop_ _Vendor MSI stop_ loop_ _Task "Automatic peak pick of frequency-domain 2D and 3D data sets." stop_ _Details ; Frequency-domain data generated with VNMR is inport into NMRCompass for automated peak-picking. Peak picking is valadidated by interactive graphics analysis. Peak lists are then input to the AutoAssign software for automated analysis of resonance assignments. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 _Details ; Most of the triple resonance experiments were exectuted with C-H or C-C phase labeling to aid assignments [Tashiro et al. J. Biomol. NMR (1995) 6: 211 - 216; Feng et al., J. Biomol. NMR (1996) 8, 98 - 104; Rios et al., J. Biomol. NMR (1996) 8, 345 - 350]. HSQC HNCO HNCA CANH CA(CO)NH HA(CA)NH HA(CA)(CO)NH CBCANH CBCA(CO)NH HCCNH-TOCSY HCC(CO)NH-TOCSY homonuclear 2D H-TOCSY 15N-edited 3D NOESY" ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details "Samples were prepared in 95% H2O, 5% 2H2O" loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.0 0.1 na temperature 303 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 spherical internal . 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_CsCspA_Ecoli_pH6.0_30degC _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 'CspA monomer' 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 HA H 4.39 0.02 1 2 2 SER C C 177.08 0.10 1 3 2 SER CA C 57.99 0.10 1 5 3 GLY H H 8.43 0.02 1 6 3 GLY HA2 H 3.95 0.02 1 7 3 GLY HA3 H 3.95 0.02 1 8 3 GLY C C 173.28 0.10 1 9 3 GLY CA C 45.19 0.10 1 10 3 GLY N N 110.38 0.10 1 11 4 LYS H H 8.21 0.02 1 12 4 LYS HA H 4.28 0.02 1 13 4 LYS HB2 H 1.76 0.02 1 14 4 LYS HB3 H 1.58 0.02 1 15 4 LYS HG2 H 1.52 0.02 2 16 4 LYS HG3 H 1.15 0.02 2 17 4 LYS HD2 H 1.69 0.02 1 18 4 LYS HD3 H 1.69 0.02 1 19 4 LYS HE2 H 2.89 0.02 1 20 4 LYS HE3 H 2.89 0.02 1 21 4 LYS C C 175.88 0.10 1 22 4 LYS CA C 56.59 0.10 1 23 4 LYS CB C 33.39 0.10 1 24 4 LYS CG C 24.59 0.10 1 25 4 LYS CD C 28.39 0.10 1 26 4 LYS CE C 41.69 0.10 1 27 4 LYS N N 119.48 0.10 1 28 5 MET H H 8.63 0.02 1 29 5 MET HA H 4.57 0.02 1 30 5 MET HB3 H 1.40 0.02 1 31 5 MET HB2 H 1.06 0.02 1 32 5 MET HG2 H 2.38 0.02 2 33 5 MET HG3 H 2.24 0.02 2 34 5 MET C C 173.98 0.10 1 35 5 MET CA C 53.59 0.10 1 36 5 MET CB C 33.99 0.10 1 37 5 MET CG C 31.49 0.10 1 38 5 MET N N 122.08 0.10 1 39 6 THR H H 7.69 0.02 1 40 6 THR HA H 5.50 0.02 1 41 6 THR HB H 4.43 0.02 1 42 6 THR HG2 H 1.12 0.02 1 43 6 THR C C 175.58 0.10 1 44 6 THR CA C 59.39 0.10 1 46 6 THR CG2 C 21.59 0.10 1 47 6 THR N N 106.88 0.10 1 48 7 GLY H H 8.96 0.02 1 49 7 GLY HA2 H 4.58 0.02 2 50 7 GLY HA3 H 3.96 0.02 2 51 7 GLY C C 170.98 0.10 1 52 7 GLY CA C 46.19 0.10 1 53 7 GLY N N 108.08 0.10 1 54 8 ILE H H 8.20 0.02 1 55 8 ILE HA H 5.13 0.02 1 56 8 ILE HB H 1.65 0.02 1 57 8 ILE HG2 H 0.85 0.02 1 58 8 ILE HG12 H 1.54 0.02 2 59 8 ILE HG13 H 1.13 0.02 2 60 8 ILE HD1 H 0.90 0.02 1 61 8 ILE C C 175.48 0.10 1 62 8 ILE CA C 58.29 0.10 1 63 8 ILE CB C 41.89 0.10 1 64 8 ILE CG1 C 27.09 0.10 1 65 8 ILE CG2 C 16.69 0.10 1 66 8 ILE CD1 C 12.49 0.10 1 67 8 ILE N N 117.48 0.10 1 68 9 VAL H H 8.83 0.02 1 69 9 VAL HA H 3.61 0.02 1 70 9 VAL HB H 2.42 0.02 1 71 9 VAL HG1 H 0.86 0.02 2 72 9 VAL HG2 H 0.56 0.02 2 73 9 VAL C C 174.88 0.10 1 74 9 VAL CA C 64.39 0.10 1 75 9 VAL CB C 30.99 0.10 1 76 9 VAL CG1 C 20.69 0.10 1 77 9 VAL CG2 C 20.69 0.10 1 78 9 VAL N N 125.68 0.10 1 79 10 LYS H H 9.11 0.02 1 80 10 LYS HA H 4.21 0.02 1 81 10 LYS HB2 H 1.55 0.02 1 82 10 LYS HB3 H 1.55 0.02 1 83 10 LYS HG2 H 2.06 0.02 2 84 10 LYS HG3 H 2.04 0.02 2 85 10 LYS C C 176.18 0.10 1 86 10 LYS CA C 58.49 0.10 1 87 10 LYS CB C 33.79 0.10 1 88 10 LYS CE C 41.79 0.10 1 89 10 LYS N N 135.28 0.10 1 90 11 TRP H H 7.45 0.02 1 91 11 TRP HA H 4.66 0.02 1 92 11 TRP HB3 H 3.54 0.02 1 93 11 TRP HB2 H 3.44 0.02 1 94 11 TRP HD1 H 7.14 0.02 1 95 11 TRP HE1 H 10.47 0.02 1 96 11 TRP HE3 H 7.37 0.02 1 97 11 TRP HZ2 H 7.50 0.02 1 98 11 TRP HZ3 H 7.37 0.02 1 99 11 TRP HH2 H 6.74 0.02 1 100 11 TRP C C 173.58 0.10 1 101 11 TRP CA C 56.19 0.10 1 102 11 TRP CB C 31.19 0.10 1 103 11 TRP N N 110.58 0.10 1 104 11 TRP NE1 N 130.00 0.10 1 105 12 PHE H H 9.25 0.02 1 106 12 PHE HA H 4.27 0.02 1 107 12 PHE HB3 H 2.93 0.02 1 108 12 PHE HB2 H 2.47 0.02 1 109 12 PHE HD1 H 6.76 0.02 1 110 12 PHE HD2 H 6.76 0.02 1 111 12 PHE HE1 H 7.01 0.02 1 112 12 PHE HE2 H 7.01 0.02 1 113 12 PHE HZ H 7.56 0.02 1 114 12 PHE C C 172.28 0.10 1 115 12 PHE CA C 59.29 0.10 1 116 12 PHE CB C 42.19 0.10 1 117 12 PHE N N 120.88 0.10 1 118 13 ASN H H 8.13 0.02 1 119 13 ASN HA H 4.82 0.02 1 120 13 ASN HB2 H 2.55 0.02 2 121 13 ASN HB3 H 2.45 0.02 2 122 13 ASN HD21 H 7.54 0.02 1 123 13 ASN HD22 H 7.32 0.02 1 124 13 ASN C C 173.98 0.10 1 125 13 ASN CA C 51.19 0.10 1 126 13 ASN CB C 39.09 0.10 1 127 13 ASN N N 125.98 0.10 1 128 13 ASN ND2 N 112.70 0.10 1 129 14 ALA H H 9.07 0.02 1 130 14 ALA HA H 4.09 0.02 1 131 14 ALA HB H 1.59 0.02 1 132 14 ALA C C 178.48 0.10 1 133 14 ALA CA C 54.49 0.10 1 134 14 ALA CB C 18.49 0.10 1 135 14 ALA N N 127.98 0.10 1 136 15 ASP H H 7.98 0.02 1 137 15 ASP HA H 4.35 0.02 1 138 15 ASP HB2 H 2.77 0.02 2 139 15 ASP HB3 H 2.70 0.02 2 140 15 ASP C C 177.58 0.10 1 141 15 ASP CA C 56.59 0.10 1 142 15 ASP CB C 40.49 0.10 1 143 15 ASP N N 116.38 0.10 1 144 16 LYS H H 7.45 0.02 1 145 16 LYS HA H 4.21 0.02 1 146 16 LYS HB3 H 1.60 0.02 1 147 16 LYS HB2 H 1.09 0.02 1 148 16 LYS HG2 H 1.42 0.02 2 149 16 LYS HG3 H 1.35 0.02 2 150 16 LYS HD2 H 1.67 0.02 2 151 16 LYS HD3 H 1.65 0.02 2 152 16 LYS HE2 H 3.01 0.02 2 153 16 LYS HE3 H 2.97 0.02 2 154 16 LYS C C 177.18 0.10 1 155 16 LYS CA C 56.09 0.10 1 157 16 LYS CG C 24.99 0.10 1 158 16 LYS CE C 41.19 0.10 1 159 16 LYS N N 115.18 0.10 1 160 17 GLY H H 8.16 0.02 1 161 17 GLY HA2 H 4.10 0.02 2 162 17 GLY HA3 H 3.79 0.02 2 163 17 GLY C C 172.28 0.10 1 164 17 GLY CA C 46.19 0.10 1 165 17 GLY N N 106.88 0.10 1 166 18 PHE H H 6.66 0.02 1 167 18 PHE HA H 5.11 0.02 1 168 18 PHE HB2 H 3.01 0.02 2 169 18 PHE HB3 H 2.88 0.02 2 170 18 PHE HD1 H 7.00 0.02 1 171 18 PHE HD2 H 7.00 0.02 1 172 18 PHE HE1 H 7.53 0.02 1 173 18 PHE HE2 H 7.53 0.02 1 174 18 PHE HZ H 7.47 0.02 1 175 18 PHE C C 171.78 0.10 1 176 18 PHE CA C 54.59 0.10 1 178 18 PHE N N 111.68 0.10 1 179 19 GLY H H 8.04 0.02 1 180 19 GLY HA2 H 3.93 0.02 1 181 19 GLY HA3 H 3.93 0.02 1 182 19 GLY C C 170.28 0.10 1 183 19 GLY CA C 45.29 0.10 1 184 19 GLY N N 104.68 0.10 1 185 20 PHE H H 7.96 0.02 1 186 20 PHE HA H 5.29 0.02 1 187 20 PHE HB3 H 2.59 0.02 1 188 20 PHE HB2 H 2.23 0.02 1 189 20 PHE HD1 H 6.79 0.02 1 190 20 PHE HD2 H 6.79 0.02 1 191 20 PHE HE1 H 7.35 0.02 1 192 20 PHE HE2 H 7.35 0.02 1 193 20 PHE HZ H 7.24 0.02 1 194 20 PHE C C 174.48 0.10 1 195 20 PHE CA C 56.59 0.10 1 196 20 PHE CB C 45.19 0.10 1 197 20 PHE N N 114.28 0.10 1 198 21 ILE H H 9.43 0.02 1 199 21 ILE HA H 4.24 0.02 1 200 21 ILE HB H 0.94 0.02 1 201 21 ILE HG2 H 0.12 0.02 1 202 21 ILE HG12 H 1.21 0.02 2 203 21 ILE HG13 H 0.35 0.02 2 204 21 ILE HD1 H -0.09 0.02 1 206 21 ILE CA C 59.29 0.10 1 207 21 ILE CB C 41.99 0.10 1 208 21 ILE CG1 C 27.29 0.10 1 209 21 ILE CG2 C 17.89 0.10 1 210 21 ILE CD1 C 13.19 0.10 1 211 21 ILE N N 121.08 0.10 1 212 22 THR H H 9.37 0.02 1 213 22 THR HA H 5.17 0.02 1 214 22 THR HB H 3.95 0.02 1 215 22 THR HG2 H 1.39 0.02 1 216 22 THR CA C 59.29 0.10 1 217 22 THR CB C 70.29 0.10 1 219 23 PRO HA H 4.77 0.02 1 220 23 PRO HB2 H 2.45 0.02 2 221 23 PRO HB3 H 2.36 0.02 2 222 23 PRO HG2 H 2.30 0.02 2 223 23 PRO HG3 H 1.86 0.02 2 224 23 PRO HD2 H 4.51 0.02 2 225 23 PRO HD3 H 3.85 0.02 2 226 23 PRO C C 177.38 0.10 1 227 23 PRO CA C 62.99 0.10 1 228 23 PRO CB C 33.59 0.10 1 229 23 PRO CD C 52.59 0.10 1 230 24 ASP H H 9.21 0.02 1 231 24 ASP HA H 4.66 0.02 1 232 24 ASP HB2 H 2.77 0.02 2 233 24 ASP HB3 H 2.50 0.02 2 234 24 ASP C C 176.38 0.10 1 235 24 ASP CA C 56.59 0.10 1 236 24 ASP CB C 40.29 0.10 1 237 24 ASP N N 122.48 0.10 1 238 25 ASP H H 7.98 0.02 1 239 25 ASP HA H 4.55 0.02 1 240 25 ASP HB2 H 3.09 0.02 2 241 25 ASP HB3 H 2.60 0.02 2 242 25 ASP C C 177.48 0.10 1 243 25 ASP CA C 53.59 0.10 1 245 25 ASP N N 116.38 0.10 1 246 26 GLY H H 7.69 0.02 1 247 26 GLY HA2 H 4.18 0.02 2 248 26 GLY HA3 H 3.90 0.02 2 249 26 GLY C C 174.58 0.10 1 250 26 GLY CA C 45.79 0.10 1 251 26 GLY N N 106.88 0.10 1 252 27 SER H H 8.00 0.02 1 253 27 SER HA H 4.37 0.02 1 254 27 SER HB2 H 4.19 0.02 2 255 27 SER HB3 H 3.95 0.02 2 256 27 SER C C 172.38 0.10 1 257 27 SER CA C 58.59 0.10 1 258 27 SER CB C 62.89 0.10 1 259 27 SER N N 115.38 0.10 1 260 28 LYS H H 7.72 0.02 1 261 28 LYS HA H 4.09 0.02 1 262 28 LYS HB2 H 1.86 0.02 2 263 28 LYS HB3 H 1.86 0.02 2 264 28 LYS HG2 H 1.60 0.02 1 265 28 LYS HG3 H 1.60 0.02 1 266 28 LYS HD2 H 1.76 0.02 1 267 28 LYS HD3 H 1.76 0.02 1 268 28 LYS HE2 H 3.07 0.02 1 269 28 LYS HE3 H 3.07 0.02 1 270 28 LYS C C 174.98 0.10 1 271 28 LYS CA C 56.89 0.10 1 272 28 LYS CB C 32.99 0.10 1 273 28 LYS CG C 24.09 0.10 1 274 28 LYS CD C 29.09 0.10 1 275 28 LYS CE C 42.19 0.10 1 276 28 LYS N N 116.48 0.10 1 277 29 ASP H H 7.93 0.02 1 278 29 ASP HA H 4.90 0.02 1 279 29 ASP HB3 H 2.45 0.02 1 280 29 ASP HB2 H 2.36 0.02 1 281 29 ASP C C 176.18 0.10 1 282 29 ASP CA C 55.29 0.10 1 284 29 ASP N N 117.38 0.10 1 285 30 VAL H H 9.30 0.02 1 286 30 VAL HA H 4.34 0.02 1 287 30 VAL HB H 1.66 0.02 1 288 30 VAL HG1 H 1.03 0.02 2 289 30 VAL HG2 H 0.84 0.02 2 290 30 VAL C C 174.58 0.10 1 291 30 VAL CA C 60.59 0.10 1 292 30 VAL CG1 C 21.89 0.10 1 293 30 VAL CG2 C 21.89 0.10 1 294 30 VAL N N 119.78 0.10 1 295 31 PHE H H 8.55 0.02 1 296 31 PHE HA H 3.71 0.02 1 297 31 PHE HB2 H 2.86 0.02 2 298 31 PHE HB3 H 2.74 0.02 2 299 31 PHE HD1 H 6.77 0.02 1 300 31 PHE HD2 H 6.77 0.02 1 301 31 PHE HE1 H 7.01 0.02 1 302 31 PHE HE2 H 7.01 0.02 1 303 31 PHE HZ H 6.96 0.02 1 304 31 PHE C C 172.48 0.10 1 305 31 PHE CA C 58.19 0.10 1 306 31 PHE CB C 40.19 0.10 1 307 31 PHE N N 129.08 0.10 1 308 32 VAL H H 7.77 0.02 1 309 32 VAL HA H 4.48 0.02 1 310 32 VAL HB H 1.45 0.02 1 311 32 VAL HG1 H 0.60 0.02 2 312 32 VAL HG2 H 0.47 0.02 2 313 32 VAL C C 170.28 0.10 1 314 32 VAL CA C 57.89 0.10 1 315 32 VAL CB C 34.09 0.10 1 316 32 VAL N N 123.68 0.10 1 317 33 HIS H H 8.72 0.02 1 318 33 HIS HA H 4.78 0.02 1 319 33 HIS HB2 H 3.15 0.02 2 320 33 HIS HB3 H 2.84 0.02 2 321 33 HIS HD2 H 7.33 0.02 1 322 33 HIS HE1 H 8.45 0.02 1 323 33 HIS C C 177.08 0.10 1 324 33 HIS CA C 55.49 0.10 1 325 33 HIS CB C 34.09 0.10 1 326 33 HIS N N 126.48 0.10 1 327 34 PHE H H 8.32 0.02 1 328 34 PHE HA H 4.14 0.02 1 329 34 PHE HB2 H 3.31 0.02 2 330 34 PHE HB3 H 2.99 0.02 2 331 34 PHE HD1 H 7.16 0.02 1 332 34 PHE HD2 H 7.16 0.02 1 333 34 PHE HE1 H 7.36 0.02 1 334 34 PHE HE2 H 7.36 0.02 1 335 34 PHE HZ H 7.45 0.02 1 336 34 PHE C C 175.88 0.10 1 337 34 PHE CA C 59.89 0.10 1 338 34 PHE CB C 37.19 0.10 1 339 34 PHE N N 122.48 0.10 1 340 35 SER H H 7.59 0.02 1 341 35 SER HA H 3.87 0.02 1 342 35 SER HB2 H 3.57 0.02 1 343 35 SER HB3 H 3.57 0.02 1 344 35 SER C C 174.88 0.10 1 345 35 SER CA C 59.89 0.10 1 346 35 SER CB C 62.29 0.10 1 347 35 SER N N 116.38 0.10 1 348 36 ALA H H 8.06 0.02 1 349 36 ALA HA H 4.46 0.02 1 350 36 ALA HB H 1.61 0.02 1 351 36 ALA C C 177.38 0.10 1 352 36 ALA CA C 52.29 0.10 1 353 36 ALA CB C 22.59 0.10 1 354 36 ALA N N 123.48 0.10 1 355 37 ILE H H 7.50 0.02 1 356 37 ILE HA H 3.89 0.02 1 357 37 ILE HB H 1.86 0.02 1 358 37 ILE HG2 H 0.81 0.02 1 359 37 ILE HG12 H 1.86 0.02 2 360 37 ILE HG13 H 1.56 0.02 2 361 37 ILE HD1 H 0.41 0.02 1 362 37 ILE C C 175.98 0.10 1 363 37 ILE CA C 62.59 0.10 1 364 37 ILE CB C 37.79 0.10 1 365 37 ILE N N 118.58 0.10 1 366 38 GLN H H 9.02 0.02 1 367 38 GLN HA H 4.36 0.02 1 368 38 GLN HB2 H 2.13 0.02 2 369 38 GLN HB3 H 1.79 0.02 2 370 38 GLN HG2 H 2.33 0.02 2 371 38 GLN HG3 H 2.30 0.02 2 372 38 GLN HE21 H 7.19 0.02 1 373 38 GLN HE22 H 6.85 0.02 1 374 38 GLN C C 175.48 0.10 1 375 38 GLN CA C 55.19 0.10 1 376 38 GLN CB C 28.69 0.10 1 377 38 GLN CG C 33.69 0.10 1 378 38 GLN N N 126.48 0.10 1 379 38 GLN NE2 N 112.10 0.10 1 380 39 ASN H H 7.53 0.02 1 381 39 ASN HA H 4.61 0.02 1 382 39 ASN HB2 H 2.87 0.02 2 383 39 ASN HB3 H 2.61 0.02 2 384 39 ASN HD21 H 7.76 0.02 1 385 39 ASN HD22 H 6.85 0.02 1 386 39 ASN C C 174.48 0.10 1 387 39 ASN CA C 53.29 0.10 1 388 39 ASN CB C 38.89 0.10 1 389 39 ASN N N 118.08 0.10 1 390 39 ASN ND2 N 112.30 0.10 1 391 40 ASP H H 8.59 0.02 1 392 40 ASP HA H 4.51 0.02 1 393 40 ASP HB2 H 2.70 0.02 2 394 40 ASP HB3 H 2.63 0.02 2 395 40 ASP C C 176.38 0.10 1 396 40 ASP CA C 54.89 0.10 1 398 40 ASP N N 120.88 0.10 1 399 41 GLY H H 8.29 0.02 1 400 41 GLY HA2 H 3.97 0.02 2 401 41 GLY HA3 H 3.77 0.02 2 402 41 GLY C C 173.58 0.10 1 403 41 GLY CA C 45.19 0.10 1 404 41 GLY N N 108.28 0.10 1 405 42 TYR H H 8.08 0.02 1 406 42 TYR HA H 4.41 0.02 1 407 42 TYR HB2 H 2.95 0.02 1 408 42 TYR HB3 H 2.95 0.02 1 409 42 TYR HD1 H 7.06 0.02 1 410 42 TYR HD2 H 7.06 0.02 1 411 42 TYR HE1 H 6.72 0.02 1 412 42 TYR HE2 H 6.72 0.02 1 413 42 TYR C C 175.88 0.10 1 414 42 TYR CA C 58.19 0.10 1 415 42 TYR CB C 38.29 0.10 1 416 42 TYR N N 120.58 0.10 1 417 43 LYS H H 8.27 0.02 1 418 43 LYS HA H 4.19 0.02 1 419 43 LYS HB2 H 1.46 0.02 2 420 43 LYS HB3 H 1.40 0.02 2 421 43 LYS HG2 H 1.86 0.02 1 422 43 LYS HG3 H 1.86 0.02 1 423 43 LYS HD2 H 1.71 0.02 1 424 43 LYS HD3 H 1.71 0.02 1 425 43 LYS HE2 H 3.11 0.02 2 426 43 LYS HE3 H 3.01 0.02 2 427 43 LYS C C 173.88 0.10 1 428 43 LYS CA C 54.99 0.10 1 429 43 LYS CB C 31.79 0.10 1 430 43 LYS CG C 24.39 0.10 1 431 43 LYS CD C 28.39 0.10 1 432 43 LYS CE C 42.79 0.10 1 433 43 LYS N N 124.48 0.10 1 434 44 SER H H 7.41 0.02 1 435 44 SER HA H 3.98 0.02 1 436 44 SER HB2 H 3.50 0.02 1 437 44 SER HB3 H 3.43 0.02 1 438 44 SER C C 171.58 0.10 1 439 44 SER CA C 56.19 0.10 1 440 44 SER CB C 63.79 0.10 1 441 44 SER N N 113.18 0.10 1 442 45 LEU H H 5.85 0.02 1 443 45 LEU HA H 4.44 0.02 1 444 45 LEU HB2 H 1.01 0.02 2 445 45 LEU HB3 H 0.43 0.02 2 446 45 LEU HG H 0.78 0.02 1 447 45 LEU HD1 H 0.48 0.02 2 448 45 LEU HD2 H 0.29 0.02 2 449 45 LEU C C 173.98 0.10 1 450 45 LEU CA C 52.69 0.10 1 451 45 LEU CB C 44.89 0.10 1 452 45 LEU CG C 32.69 0.10 1 453 45 LEU CD1 C 24.19 0.10 1 454 45 LEU CD2 C 24.19 0.10 1 455 45 LEU N N 118.48 0.10 1 456 46 ASP H H 8.21 0.02 1 457 46 ASP HA H 4.89 0.02 1 458 46 ASP HB2 H 2.62 0.02 2 459 46 ASP HB3 H 2.37 0.02 2 460 46 ASP C C 175.38 0.10 1 461 46 ASP CA C 52.59 0.10 1 462 46 ASP CB C 43.79 0.10 1 463 46 ASP N N 119.48 0.10 1 464 47 GLU H H 8.66 0.02 1 465 47 GLU HA H 3.58 0.02 1 466 47 GLU HB2 H 2.16 0.02 2 467 47 GLU HB3 H 2.01 0.02 2 468 47 GLU HG2 H 2.55 0.02 2 469 47 GLU HG3 H 2.24 0.02 2 470 47 GLU C C 177.18 0.10 1 471 47 GLU CA C 57.99 0.10 1 473 47 GLU CG C 35.49 0.10 1 474 47 GLU N N 120.28 0.10 1 475 48 GLY H H 9.12 0.02 1 476 48 GLY HA2 H 4.35 0.02 2 477 48 GLY HA3 H 3.58 0.02 2 478 48 GLY C C 173.48 0.10 1 479 48 GLY CA C 45.19 0.10 1 480 48 GLY N N 112.98 0.10 1 481 49 GLN H H 7.77 0.02 1 482 49 GLN HA H 4.18 0.02 1 483 49 GLN HB2 H 2.21 0.02 2 484 49 GLN HB3 H 1.96 0.02 2 485 49 GLN HG2 H 2.37 0.02 1 486 49 GLN HG3 H 2.37 0.02 1 487 49 GLN HE21 H 7.55 0.02 1 488 49 GLN HE22 H 6.81 0.02 1 489 49 GLN C C 175.48 0.10 1 490 49 GLN CA C 56.29 0.10 1 491 49 GLN CB C 30.29 0.10 1 492 49 GLN CG C 33.69 0.10 1 493 49 GLN N N 119.98 0.10 1 494 49 GLN NE2 N 111.00 0.10 1 495 50 LYS H H 8.79 0.02 1 496 50 LYS HA H 5.05 0.02 1 497 50 LYS HB2 H 1.91 0.02 1 498 50 LYS HB3 H 1.91 0.02 1 499 50 LYS HG2 H 1.71 0.02 2 500 50 LYS HG3 H 1.50 0.02 2 501 50 LYS HD2 H 1.79 0.02 1 502 50 LYS HD3 H 1.79 0.02 1 503 50 LYS HE2 H 3.02 0.02 1 504 50 LYS HE3 H 3.02 0.02 1 505 50 LYS C C 176.98 0.10 1 506 50 LYS CA C 56.29 0.10 1 507 50 LYS CB C 32.89 0.10 1 508 50 LYS CG C 24.99 0.10 1 509 50 LYS CD C 28.59 0.10 1 510 50 LYS CE C 42.09 0.10 1 511 50 LYS N N 125.98 0.10 1 512 51 VAL H H 8.63 0.02 1 513 51 VAL HA H 5.35 0.02 1 514 51 VAL HB H 2.17 0.02 1 515 51 VAL HG1 H 0.62 0.02 2 516 51 VAL HG2 H 0.52 0.02 2 517 51 VAL C C 174.18 0.10 1 518 51 VAL CA C 58.39 0.10 1 519 51 VAL CB C 36.79 0.10 1 520 51 VAL CG1 C 22.19 0.10 2 521 51 VAL CG2 C 17.59 0.10 2 522 51 VAL N N 114.88 0.10 1 523 52 SER H H 9.14 0.02 1 524 52 SER HA H 5.70 0.02 1 525 52 SER HB2 H 3.83 0.02 2 526 52 SER HB3 H 3.75 0.02 2 527 52 SER C C 173.78 0.10 1 528 52 SER CA C 55.79 0.10 1 529 52 SER CB C 65.69 0.10 1 530 52 SER N N 114.08 0.10 1 531 53 PHE H H 8.70 0.02 1 532 53 PHE HA H 5.28 0.02 1 533 53 PHE HB2 H 3.27 0.02 2 534 53 PHE HB3 H 3.20 0.02 2 535 53 PHE HD1 H 6.84 0.02 1 536 53 PHE HD2 H 6.84 0.02 1 537 53 PHE HE1 H 6.77 0.02 1 538 53 PHE HE2 H 6.77 0.02 1 539 53 PHE HZ H 6.96 0.02 1 540 53 PHE C C 172.68 0.10 1 541 53 PHE CA C 56.19 0.10 1 542 53 PHE CB C 40.19 0.10 1 543 53 PHE N N 116.68 0.10 1 544 54 THR H H 8.99 0.02 1 545 54 THR HA H 4.71 0.02 1 546 54 THR HB H 4.20 0.02 1 547 54 THR HG2 H 1.15 0.02 1 548 54 THR C C 174.38 0.10 1 549 54 THR CA C 59.89 0.10 1 550 54 THR CB C 70.39 0.10 1 551 54 THR CG2 C 22.49 0.10 1 552 54 THR N N 109.78 0.10 1 553 55 ILE H H 8.66 0.02 1 554 55 ILE HA H 4.69 0.02 1 555 55 ILE HB H 1.82 0.02 1 556 55 ILE HG2 H 0.95 0.02 1 557 55 ILE HG12 H 1.72 0.02 2 558 55 ILE HG13 H 1.16 0.02 2 559 55 ILE HD1 H 1.01 0.02 1 560 55 ILE C C 175.48 0.10 1 561 55 ILE CA C 60.99 0.10 1 562 55 ILE CB C 38.99 0.10 1 563 55 ILE CG1 C 27.99 0.10 1 564 55 ILE CG2 C 17.89 0.10 1 565 55 ILE CD1 C 13.59 0.10 1 566 55 ILE N N 120.28 0.10 1 567 56 GLU H H 9.18 0.02 1 568 56 GLU HA H 4.67 0.02 1 569 56 GLU HB2 H 2.06 0.02 1 570 56 GLU HB3 H 1.84 0.02 1 571 56 GLU HG2 H 2.22 0.02 2 572 56 GLU HG3 H 2.13 0.02 2 573 56 GLU C C 175.88 0.10 1 574 56 GLU CA C 54.19 0.10 1 575 56 GLU CB C 31.49 0.10 1 576 56 GLU CG C 35.19 0.10 1 577 56 GLU N N 127.28 0.10 1 578 57 SER H H 8.77 0.02 1 579 57 SER HA H 4.50 0.02 1 580 57 SER HB2 H 3.88 0.02 2 581 57 SER HB3 H 3.79 0.02 2 582 57 SER C C 174.28 0.10 1 583 57 SER CA C 57.99 0.10 1 585 57 SER N N 117.78 0.10 1 586 58 GLY H H 7.82 0.02 1 587 58 GLY HA2 H 4.30 0.02 2 588 58 GLY HA3 H 3.93 0.02 2 589 58 GLY C C 174.48 0.10 1 590 58 GLY CA C 44.49 0.10 1 591 58 GLY N N 111.28 0.10 1 592 59 ALA H H 8.59 0.02 1 593 59 ALA HA H 4.13 0.02 1 594 59 ALA HB H 1.40 0.02 1 595 59 ALA C C 178.98 0.10 1 596 59 ALA CA C 54.29 0.10 1 597 59 ALA CB C 18.69 0.10 1 598 59 ALA N N 122.88 0.10 1 599 60 LYS H H 8.37 0.02 1 600 60 LYS HA H 4.37 0.02 1 601 60 LYS HB2 H 1.80 0.02 2 602 60 LYS HB3 H 1.53 0.02 2 603 60 LYS HG2 H 1.27 0.02 2 604 60 LYS HG3 H 1.15 0.02 2 605 60 LYS HD2 H 1.50 0.02 1 606 60 LYS HD3 H 1.50 0.02 1 607 60 LYS HE2 H 2.82 0.02 1 608 60 LYS HE3 H 2.82 0.02 1 610 60 LYS CA C 55.19 0.10 1 612 60 LYS CG C 24.69 0.10 1 613 60 LYS CD C 28.39 0.10 1 614 60 LYS CE C 42.09 0.10 1 615 60 LYS N N 114.58 0.10 1 616 61 GLY H H 7.51 0.02 1 617 61 GLY HA2 H 4.36 0.02 2 618 61 GLY HA3 H 3.83 0.02 2 619 61 GLY CA C 44.19 0.10 1 621 62 PRO HA H 4.89 0.02 1 622 62 PRO HB2 H 2.32 0.02 2 623 62 PRO HB3 H 1.94 0.02 2 624 62 PRO HG2 H 2.24 0.02 2 625 62 PRO HG3 H 2.09 0.02 2 626 62 PRO HD2 H 3.74 0.02 2 627 62 PRO HD3 H 3.68 0.02 2 628 62 PRO C C 175.48 0.10 1 629 62 PRO CA C 62.99 0.10 1 630 62 PRO CB C 32.69 0.10 1 631 62 PRO CG C 29.89 0.10 1 632 62 PRO CD C 55.99 0.10 1 633 63 ALA H H 8.79 0.02 1 634 63 ALA HA H 5.18 0.02 1 635 63 ALA HB H 1.51 0.02 1 636 63 ALA C C 175.08 0.10 1 637 63 ALA CA C 50.69 0.10 1 638 63 ALA CB C 21.99 0.10 1 639 63 ALA N N 125.38 0.10 1 640 64 ALA H H 8.90 0.02 1 641 64 ALA HA H 5.09 0.02 1 642 64 ALA HB H 0.95 0.02 1 643 64 ALA C C 177.28 0.10 1 644 64 ALA CA C 50.89 0.10 1 646 64 ALA N N 121.48 0.10 1 647 65 GLY H H 9.29 0.02 1 648 65 GLY HA2 H 4.67 0.02 2 649 65 GLY HA3 H 3.59 0.02 2 650 65 GLY C C 172.78 0.10 1 651 65 GLY CA C 43.49 0.10 1 652 65 GLY N N 108.08 0.10 1 653 66 ASN H H 9.22 0.02 1 654 66 ASN HA H 4.18 0.02 1 655 66 ASN HB2 H 2.81 0.02 1 656 66 ASN HB3 H 2.81 0.02 1 657 66 ASN HD21 H 7.57 0.02 1 658 66 ASN HD22 H 6.87 0.02 1 659 66 ASN C C 173.98 0.10 1 660 66 ASN CA C 54.29 0.10 1 661 66 ASN CB C 37.99 0.10 1 662 66 ASN N N 115.78 0.10 1 663 66 ASN ND2 N 114.40 0.10 1 664 67 VAL H H 8.19 0.02 1 665 67 VAL HA H 4.68 0.02 1 666 67 VAL HB H 1.82 0.02 1 667 67 VAL HG1 H 0.68 0.02 1 668 67 VAL HG2 H 0.68 0.02 1 669 67 VAL C C 175.88 0.10 1 670 67 VAL CA C 63.29 0.10 1 671 67 VAL CB C 30.99 0.10 1 672 67 VAL CG1 C 21.39 0.10 1 673 67 VAL CG2 C 21.39 0.10 1 674 67 VAL N N 117.48 0.10 1 675 68 THR H H 9.05 0.02 1 676 68 THR HA H 4.76 0.02 1 677 68 THR HB H 4.16 0.02 1 678 68 THR HG2 H 1.13 0.02 1 679 68 THR C C 173.78 0.10 1 680 68 THR CA C 59.59 0.10 1 681 68 THR CB C 71.69 0.10 1 682 68 THR N N 119.98 0.10 1 683 69 SER H H 8.81 0.02 1 684 69 SER HA H 4.66 0.02 1 685 69 SER HB3 H 3.93 0.02 1 686 69 SER HB2 H 3.83 0.02 1 688 69 SER CA C 59.29 0.10 1 689 69 SER CB C 63.19 0.10 1 690 69 SER N N 118.88 0.10 1 691 70 LEU H H 8.00 0.02 1 692 70 LEU HA H 4.26 0.02 1 693 70 LEU HB2 H 1.39 0.02 1 694 70 LEU HB3 H 1.39 0.02 1 695 70 LEU HG H 1.61 0.02 1 696 70 LEU HD1 H 0.89 0.02 1 697 70 LEU HD2 H 0.89 0.02 1 700 70 LEU CG C 27.79 0.10 1 701 70 LEU CD1 C 26.39 0.10 2 702 70 LEU CD2 C 24.29 0.10 2 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Newkirk K., Feng W., Jiang W., Tejero R., Emerson S. D., Inouye M., Montelione G. T., "Solution NMR Structure of the Major Cold Shock Protein (CspA) from Escherichia coli: Identification of a Binding Epitope for DNA," Proc. Natl. Acad. Sci. USA 91, 5114-5118 (1994). ; _MEDLINE_UI_code 94255481 save_ save_ref_2 _Saveframe_category citation _Citation_full ; Zimmerman et al. (1997) J. Mol. Biol. 269, 592 - 610 ; save_