data_5093 #Corrected using PDB structure: 1KKGA # #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 # 2 A HA 4.13 5.39 # 26 E HA 4.77 3.81 # 47 L HA 3.75 4.61 # 48 A HA 4.03 5.54 # 54 V HA 5.57 4.46 # 55 T HA 4.48 5.45 # 91 I HA 4.21 3.40 # 92 V HA 4.32 3.17 # 98 F HA 4.69 3.94 #101 N HA 4.68 5.47 #103 L HA 4.35 5.17 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 29 D CA 51.55 57.09 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 47 L CB 38.97 47.25 #105 E CB 30.17 35.82 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 48 A N 117.97 135.00 # 54 V N 114.87 125.37 # 55 T N 111.77 122.79 # 89 L N 118.97 129.81 # 90 R N 122.07 107.84 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.09 0.05 0.47 -0.20 -0.13 -0.06 # #bmr5093.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5093.str file): #HA CA CB CO N HN #N/A +0.26 +0.26 -0.20 -0.13 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 +/-0.19 +/-0.22 +/-0.18 +/-0.39 +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.594 0.936 0.988 0.767 0.651 0.322 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.184 0.986 1.097 0.893 1.911 0.368 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for Ribosome-binding Factor A (RbfA) ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Swapna G. "V.T." . 2 Shukla Kamal . . 3 Huang YJ . . 4 Ke H. . . 5 Xia B. . . 6 Inouye Masayori . . 7 Montelione Gaetano T. . stop_ _BMRB_accession_number 5093 _BMRB_flat_file_name bmr5093.str _Entry_type new _Submission_date 2001-08-02 _Accession_date 2001-08-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 599 '15N chemical shifts' 108 '13C chemical shifts' 442 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Resonance assignments for cold-shock protein ribosome-binding factor A (RbfA) from Escherichia coli ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 11824762 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Swapna G. "V.T." . 2 Shukla Kamal . . 3 Huang YJ . . 4 Ke H. . . 5 Xia B. . . 6 Inouye Masayori . . 7 Montelione Gaetano T. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 21 _Journal_issue 4 _Page_first 389 _Page_last 390 _Year 2001 loop_ _Keyword "Ribosome-binding Factor A" "RbfA" stop_ save_ ################################## # Molecular system description # ################################## save_system_RbfA _Saveframe_category molecular_system _Mol_system_name RbfADelta25 _Abbreviation_common RbfA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "Ribosome-binding Factor A" $RbfA stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function "cold-shock adaptation protein from the bacterium Escherichia Coli" "RbfA is probably involved in ribosome maturation and/or translation initiation" stop_ save_ ######################## # Monomeric polymers # ######################## save_RbfA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RbfA _Name_variant . _Abbreviation_common RbfA _Molecular_mass 12300 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MAKEFGRPQRVAQEMQKEIA LILQREIKDPRLGMMTTVSG VEMSRDLAYAKVYVTFLNDK DEDAVKAGIKALQEASGFIR SLLGKAMRLRIVPELTFFYD NSLVEGMR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LYS 4 GLU 5 PHE 6 GLY 7 ARG 8 PRO 9 GLN 10 ARG 11 VAL 12 ALA 13 GLN 14 GLU 15 MET 16 GLN 17 LYS 18 GLU 19 ILE 20 ALA 21 LEU 22 ILE 23 LEU 24 GLN 25 ARG 26 GLU 27 ILE 28 LYS 29 ASP 30 PRO 31 ARG 32 LEU 33 GLY 34 MET 35 MET 36 THR 37 THR 38 VAL 39 SER 40 GLY 41 VAL 42 GLU 43 MET 44 SER 45 ARG 46 ASP 47 LEU 48 ALA 49 TYR 50 ALA 51 LYS 52 VAL 53 TYR 54 VAL 55 THR 56 PHE 57 LEU 58 ASN 59 ASP 60 LYS 61 ASP 62 GLU 63 ASP 64 ALA 65 VAL 66 LYS 67 ALA 68 GLY 69 ILE 70 LYS 71 ALA 72 LEU 73 GLN 74 GLU 75 ALA 76 SER 77 GLY 78 PHE 79 ILE 80 ARG 81 SER 82 LEU 83 LEU 84 GLY 85 LYS 86 ALA 87 MET 88 ARG 89 LEU 90 ARG 91 ILE 92 VAL 93 PRO 94 GLU 95 LEU 96 THR 97 PHE 98 PHE 99 TYR 100 ASP 101 ASN 102 SER 103 LEU 104 VAL 105 GLU 106 GLY 107 MET 108 ARG stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1KKG "A Chain A, Nmr Structure Of Ribosome-BindingFactor A (Rbfa)" 100.00 108 100 100 4e-53 DBJ BAB37471.1 "ribosome-binding factor A [Escherichiacoli O157:H7]" 81.20 133 100 100 10e-54 EMBL CAA31634.1 "unnamed protein product [Escherichia coli]" 81.20 133 100 100 10e-54 EMBL CAA32020.1 "P15B gene product (AA 1 - 133)[Escherichia coli]" 81.20 133 100 100 10e-54 GenBank AAA57970.1 "P15B [Escherichia coli]" 81.20 133 100 100 10e-54 GenBank AAC76201.1 "ribosome-binding factor A;ribosome-binding factor, role in processing of 10S rRNA[Escherichia coli K12]" 81.20 133 100 100 10e-54 GenBank AAG58303.1 "ribosome-binding factor A [Escherichiacoli O157:H7 EDL933]" 81.20 133 100 100 10e-54 GenBank AAP18489.1 "ribosome-binding factor A [Shigellaflexneri 2a str. 2457T]" 81.20 133 100 100 10e-54 GenBank AAN44675.1 "ribosome-binding factor A [Shigellaflexneri 2a str. 301]" 77.70 139 100 100 10e-54 PIR C85980 "ribosome-binding factor A [imported] -Escherichia coli (strain O157:H7, substrain EDL933)" 81.20 133 100 100 10e-54 PIR H91134 "ribosome-binding factor A [imported] -Escherichia coli (strain O157:H7, substrain RIMD0509952)" 81.20 133 100 100 10e-54 PIR Q9EC15 "ribosome-binding factor rbfA - Escherichiacoli (strain K-12)" 81.20 133 100 100 10e-54 REF NP_289743.1 "ribosome-binding factor A [Escherichiacoli O157:H7 EDL933]" 81.20 133 100 100 10e-54 REF NP_312075.1 "ribosome-binding factor A [Escherichiacoli O157:H7]" 81.20 133 100 100 10e-54 REF NP_417636.1 "ribosome-binding factor A;ribosome-binding factor, role in processing of 10S rRNA[Escherichia coli K12]" 81.20 133 100 100 10e-54 REF NP_838678.1 "ribosome-binding factor A [Shigellaflexneri 2a str. 2457T]" 81.20 133 100 100 10e-54 REF NP_708968.1 "ribosome-binding factor A [Shigellaflexneri 2a str. 301]" 77.70 139 100 100 10e-54 SWISS-PROT P09170 "RBFA_ECOLI Ribosome-binding factor A (P15Bprotein)" 81.20 133 100 100 10e-54 SWISS-PROT Q8ZLT1 "RBFA_SALTY Ribosome-binding factor A" 81.20 133 98 100 5e-53 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 _Fraction _Plasmid $RbfA "E. coli." 562 Eubacteria . Escherichia coli . ribosome . 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 $RbfA 'recombinant technology' "E. coli" Escherichia coli BL21(DE3) pET11a ; Rbfa gene was cloned into expression plasmid pET11a, generating plasmid pETrbfA E.coli strain BL21(DE3) cell cultures transformed with pETrbfA were grown at 37 C in M9 minimal media containing U15N-(NH4)2SO4 and 13C-glucose as sole nitrogen and carbon sources. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RbfA 1.6 mM "[U-13C; U-15N]" stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.3b loop_ _Task "data processing" stop_ save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.91 loop_ _Task "peak picking" stop_ save_ save_AUTOASSIGN _Saveframe_category software _Name AUTOASSIGN _Version 1.7.8 loop_ _Task "automated backbone 1H, 13C and 15N assignments" stop_ _Details ; In-house developed software for automating the peak assignment process. ; _Citation_label $ref-1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N HSQC HNCO HNCACB CBCA(CO)NH (HA)CA(CO)NH HA(CA)(CO)NH (HA)CANH HA(CA)NH H(CCCO)NH-TOCSY (H)CC(CO)NH-TOCSY HCCH-COSY 13C-edited NOESY 15N-edited NOESY ; save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details ; The sample stability was tested by recording a 1H-15N HSQC spectrum every 3 days. Mass spectra were also recorded on the 3rd and 7th day and every two weeks subsequently. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.05 0.05 n/a temperature 293 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 . . . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "Ribosome-binding Factor A" 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 ALA HA H 4.04 0.02 1 2 2 ALA HB H 1.46 0.02 1 3 2 ALA C C 173.50 0.20 1 4 2 ALA CA C 51.76 0.20 1 5 2 ALA CB C 19.66 0.20 1 6 3 LYS H H 8.58 0.02 1 7 3 LYS HA H 4.19 0.02 1 8 3 LYS HB2 H 1.60 0.02 1 9 3 LYS HB3 H 1.60 0.02 1 10 3 LYS HG2 H 1.25 0.02 1 11 3 LYS HG3 H 1.25 0.02 1 12 3 LYS HE2 H 2.87 0.02 1 13 3 LYS C C 173.80 0.20 1 14 3 LYS CA C 56.56 0.20 1 15 3 LYS CB C 33.06 0.20 1 16 3 LYS CG C 24.66 0.20 1 17 3 LYS CE C 42.16 0.20 1 18 3 LYS N N 120.07 0.25 1 19 4 GLU H H 8.42 0.02 1 20 4 GLU HA H 4.25 0.02 1 21 4 GLU HB2 H 2.18 0.02 1 22 4 GLU HB3 H 2.18 0.02 1 23 4 GLU HG2 H 1.87 0.02 1 24 4 GLU HG3 H 1.87 0.02 1 25 4 GLU C C 175.80 0.20 1 26 4 GLU CA C 55.96 0.20 1 27 4 GLU CB C 30.56 0.20 1 28 4 GLU CG C 35.76 0.20 1 29 4 GLU N N 122.07 0.25 1 30 5 PHE H H 8.48 0.02 1 31 5 PHE HA H 4.58 0.02 1 32 5 PHE HB2 H 3.12 0.02 2 33 5 PHE HB3 H 2.93 0.02 2 34 5 PHE C C 175.90 0.20 1 35 5 PHE CA C 57.76 0.20 1 37 5 PHE N N 122.07 0.25 1 38 6 GLY H H 8.40 0.02 1 39 6 GLY HA2 H 3.86 0.02 2 40 6 GLY HA3 H 4.01 0.02 2 42 6 GLY CA C 45.06 0.20 1 43 6 GLY N N 110.07 0.25 1 44 7 ARG H H 8.49 0.02 1 45 7 ARG HA H 4.44 0.02 1 46 7 ARG HB2 H 2.51 0.02 1 47 7 ARG HB3 H 2.51 0.02 1 48 7 ARG CA C 57.06 0.20 1 49 7 ARG CB C 29.16 0.20 1 50 7 ARG CG C 32.06 0.20 1 52 8 PRO HA H 4.40 0.02 1 53 8 PRO HB2 H 2.23 0.02 1 54 8 PRO HB3 H 2.23 0.02 1 55 8 PRO HG2 H 1.98 0.02 2 56 8 PRO HG3 H 2.08 0.02 2 57 8 PRO HD2 H 3.66 0.02 2 58 8 PRO HD3 H 3.84 0.02 2 60 8 PRO CA C 65.06 0.20 1 61 8 PRO CB C 31.56 0.20 1 62 8 PRO CG C 28.46 0.20 1 63 8 PRO CD C 50.26 0.20 1 64 9 GLN H H 8.05 0.02 1 65 9 GLN HA H 4.18 0.02 1 66 9 GLN HB2 H 2.04 0.02 1 67 9 GLN HB3 H 2.04 0.02 1 68 9 GLN HG2 H 2.40 0.02 2 69 9 GLN HG3 H 2.48 0.02 2 70 9 GLN CA C 57.86 0.20 1 71 9 GLN CB C 28.66 0.20 1 72 9 GLN CG C 34.46 0.20 1 73 9 GLN N N 117.37 0.25 1 74 9 GLN NE2 N 111.40 0.25 1 75 9 GLN HE21 H 6.88 0.02 2 76 9 GLN HE22 H 7.60 0.02 2 77 10 ARG H H 8.24 0.02 1 78 10 ARG HA H 4.17 0.02 1 79 10 ARG HB2 H 1.91 0.02 1 80 10 ARG HB3 H 1.91 0.02 1 81 10 ARG HG2 H 1.67 0.02 1 82 10 ARG HG3 H 1.67 0.02 1 83 10 ARG HD2 H 3.20 0.02 1 84 10 ARG HD3 H 3.20 0.02 1 86 10 ARG CA C 58.86 0.20 1 87 10 ARG CB C 29.86 0.20 1 88 10 ARG CG C 29.86 0.20 1 89 10 ARG CD C 45.16 0.20 1 90 10 ARG N N 121.37 0.25 1 91 11 VAL H H 8.30 0.02 1 92 11 VAL CA C 65.86 0.20 1 93 11 VAL CB C 31.66 0.20 1 94 11 VAL CG1 C 21.16 0.20 1 95 11 VAL CG2 C 21.16 0.20 1 96 11 VAL HA H 3.76 0.02 1 97 11 VAL HB H 2.03 0.02 1 98 11 VAL HG1 H 0.92 0.02 1 99 11 VAL HG2 H 0.92 0.02 1 100 11 VAL N N 119.47 0.25 1 101 12 ALA H H 8.02 0.02 1 102 12 ALA HA H 3.84 0.02 1 103 12 ALA HB H 1.50 0.02 1 104 12 ALA C C 179.40 0.20 1 105 12 ALA CA C 55.66 0.20 1 106 12 ALA CB C 18.46 0.20 1 107 12 ALA N N 121.77 0.25 1 108 13 GLN H H 7.81 0.02 1 109 13 GLN HA H 4.09 0.02 1 110 13 GLN HB2 H 2.16 0.02 2 111 13 GLN HB3 H 2.23 0.02 2 112 13 GLN HG2 H 2.42 0.02 2 113 13 GLN HG3 H 2.55 0.02 2 114 13 GLN HE21 H 6.76 0.02 2 115 13 GLN HE22 H 7.54 0.02 2 116 13 GLN C C 179.10 0.20 1 117 13 GLN CA C 59.26 0.20 1 118 13 GLN CB C 28.76 0.20 1 119 13 GLN CG C 34.56 0.20 1 120 13 GLN N N 116.37 0.25 1 121 13 GLN NE2 N 111.10 0.25 1 122 14 GLU H H 8.00 0.02 1 123 14 GLU HA H 4.11 0.02 1 124 14 GLU HG2 H 2.37 0.02 2 125 14 GLU HG3 H 2.47 0.02 2 126 14 GLU HB2 H 2.12 0.02 1 127 14 GLU HB3 H 2.12 0.02 1 128 14 GLU C C 178.90 0.20 1 129 14 GLU CA C 59.36 0.20 1 130 14 GLU CB C 29.36 0.20 1 131 14 GLU CG C 35.86 0.20 1 132 14 GLU N N 120.27 0.25 1 133 15 MET H H 8.80 0.02 1 134 15 MET HA H 4.01 0.02 1 135 15 MET HB2 H 2.36 0.02 2 136 15 MET HB3 H 2.22 0.02 2 137 15 MET HG2 H 2.67 0.02 1 138 15 MET HG3 H 2.67 0.02 1 139 15 MET C C 177.60 0.20 1 140 15 MET CA C 59.66 0.20 1 141 15 MET CB C 32.76 0.20 1 142 15 MET N N 118.37 0.25 1 143 16 GLN H H 8.39 0.02 1 144 16 GLN HA H 3.57 0.02 1 145 16 GLN HB2 H 2.35 0.02 2 146 16 GLN HB3 H 2.05 0.02 2 147 16 GLN HG2 H 2.09 0.02 2 148 16 GLN HG3 H 2.27 0.02 2 149 16 GLN C C 176.70 0.20 1 150 16 GLN CA C 60.16 0.20 1 151 16 GLN CB C 27.86 0.20 1 152 16 GLN CG C 32.66 0.20 1 153 16 GLN N N 118.97 0.25 1 154 16 GLN NE2 N 109.10 0.25 1 155 16 GLN HE21 H 6.63 0.02 2 156 16 GLN HE22 H 7.12 0.02 2 157 17 LYS H H 7.29 0.02 1 158 17 LYS HA H 4.02 0.02 1 159 17 LYS HB2 H 1.95 0.02 1 160 17 LYS HB3 H 1.95 0.02 1 161 17 LYS HG2 H 1.36 0.02 2 162 17 LYS HG3 H 1.58 0.02 2 163 17 LYS HD2 H 1.63 0.02 1 164 17 LYS HD3 H 1.63 0.02 1 165 17 LYS HE2 H 2.94 0.02 1 166 17 LYS HE3 H 2.94 0.02 1 167 17 LYS C C 179.30 0.20 1 168 17 LYS CA C 59.25 0.20 1 169 17 LYS CB C 32.56 0.20 1 170 17 LYS CG C 24.86 0.20 1 171 17 LYS CE C 42.06 0.20 1 172 17 LYS N N 116.57 0.25 1 173 18 GLU H H 8.17 0.02 1 174 18 GLU HA H 4.20 0.02 1 175 18 GLU HB2 H 1.93 0.02 1 176 18 GLU HB3 H 1.93 0.02 1 177 18 GLU HG2 H 2.43 0.02 1 178 18 GLU HG3 H 2.43 0.02 1 179 18 GLU C C 179.40 0.20 1 180 18 GLU CA C 58.16 0.20 1 181 18 GLU CB C 28.86 0.20 1 182 18 GLU CG C 33.96 0.20 1 183 18 GLU N N 116.87 0.25 1 184 19 ILE H H 9.08 0.02 1 185 19 ILE HA H 3.58 0.02 1 186 19 ILE HB H 1.81 0.02 1 187 19 ILE HG12 H 1.81 0.02 1 188 19 ILE HG13 H 1.81 0.02 1 189 19 ILE HG2 H 0.91 0.02 1 190 19 ILE HD1 H 0.71 0.02 1 191 19 ILE C C 177.80 0.20 1 192 19 ILE CA C 66.26 0.20 1 193 19 ILE CB C 37.66 0.20 1 194 19 ILE CG1 C 24.96 0.20 1 195 19 ILE CG2 C 17.76 0.20 1 196 19 ILE CD1 C 14.76 0.20 1 197 19 ILE N N 118.67 0.25 1 198 20 ALA H H 7.90 0.02 1 199 20 ALA HA H 3.98 0.02 1 200 20 ALA HB H 1.55 0.02 1 201 20 ALA C C 179.90 0.20 1 202 20 ALA CA C 56.06 0.20 1 203 20 ALA CB C 18.26 0.20 1 204 20 ALA N N 120.57 0.25 1 205 21 LEU H H 7.46 0.02 1 206 21 LEU HA H 4.09 0.02 1 207 21 LEU HB2 H 1.65 0.02 2 208 21 LEU HB3 H 1.84 0.02 2 209 21 LEU HG H 1.73 0.02 1 210 21 LEU HD1 H 0.88 0.02 1 211 21 LEU HD2 H 0.88 0.02 1 212 21 LEU C C 179.10 0.20 1 213 21 LEU CA C 58.36 0.20 1 214 21 LEU CB C 42.16 0.20 1 215 21 LEU CG C 27.16 0.20 1 216 21 LEU CD1 C 24.36 0.20 1 217 21 LEU N N 117.47 0.25 1 218 22 ILE H H 7.96 0.02 1 219 22 ILE HA H 3.57 0.02 1 220 22 ILE HB H 1.93 0.02 1 221 22 ILE HG12 H 1.40 0.02 1 222 22 ILE HG13 H 1.40 0.02 1 223 22 ILE HG2 H 0.80 0.02 1 224 22 ILE HD1 H 0.73 0.02 1 225 22 ILE C C 178.60 0.20 1 226 22 ILE CA C 65.46 0.20 1 227 22 ILE CB C 38.66 0.20 1 228 22 ILE CG2 C 18.56 0.20 1 229 22 ILE CD1 C 15.06 0.20 1 230 22 ILE N N 120.27 0.25 1 231 23 LEU H H 8.52 0.02 1 232 23 LEU HA H 3.90 0.02 1 233 23 LEU HB2 H 1.90 0.02 2 234 23 LEU HB3 H 1.46 0.02 2 235 23 LEU HG H 1.90 0.02 1 236 23 LEU HD1 H 0.70 0.02 1 237 23 LEU HD2 H 0.70 0.02 1 238 23 LEU C C 178.20 0.20 1 239 23 LEU CA C 57.86 0.20 1 240 23 LEU CB C 41.06 0.20 1 241 23 LEU CG C 25.46 0.20 1 242 23 LEU CD1 C 23.26 0.20 1 243 23 LEU CD2 C 23.26 0.20 1 244 23 LEU N N 117.87 0.25 1 245 24 GLN H H 7.72 0.02 1 246 24 GLN HA H 4.17 0.02 1 247 24 GLN HG2 H 2.59 0.02 1 248 24 GLN HG3 H 2.59 0.02 1 249 24 GLN HB2 H 2.19 0.02 1 250 24 GLN HB3 H 2.19 0.02 1 251 24 GLN HE21 H 7.46 0.02 2 252 24 GLN HE22 H 6.77 0.02 2 253 24 GLN C C 178.00 0.20 1 254 24 GLN CA C 58.16 0.20 1 255 24 GLN CB C 29.46 0.20 1 256 24 GLN CG C 34.06 0.20 1 257 24 GLN N N 114.37 0.25 1 258 24 GLN NE2 N 110.20 0.25 1 259 25 ARG H H 8.10 0.02 1 260 25 ARG HA H 4.46 0.02 1 261 25 ARG HB2 H 1.86 0.02 1 262 25 ARG HB3 H 1.86 0.02 1 263 25 ARG HG2 H 1.63 0.02 1 264 25 ARG HG3 H 1.63 0.02 1 265 25 ARG HD2 H 3.14 0.02 1 266 25 ARG HD3 H 3.14 0.02 1 267 25 ARG C C 177.70 0.20 1 268 25 ARG CA C 57.66 0.20 1 269 25 ARG CB C 33.06 0.20 1 270 25 ARG CD C 43.46 0.20 1 271 25 ARG CG C 27.56 0.20 1 272 25 ARG N N 114.27 0.25 1 273 26 GLU H H 8.42 0.02 1 274 26 GLU HA H 4.68 0.02 1 275 26 GLU HG2 H 2.28 0.02 1 276 26 GLU HG3 H 2.28 0.02 1 277 26 GLU HB2 H 1.92 0.02 1 278 26 GLU HB3 H 1.92 0.02 1 279 26 GLU C C 176.20 0.20 1 280 26 GLU CA C 56.36 0.20 1 281 26 GLU CB C 30.66 0.20 1 282 26 GLU CG C 34.66 0.20 1 283 26 GLU N N 113.87 0.25 1 284 27 ILE H H 7.23 0.02 1 285 27 ILE HA H 4.26 0.02 1 286 27 ILE HB H 2.13 0.02 1 287 27 ILE HG12 H 1.24 0.02 2 288 27 ILE HG13 H 1.49 0.02 2 289 27 ILE HD1 H 0.75 0.02 1 290 27 ILE HG2 H 0.81 0.02 1 291 27 ILE C C 175.10 0.20 1 292 27 ILE CA C 59.56 0.20 1 293 27 ILE CB C 36.96 0.20 1 294 27 ILE CG1 C 27.16 0.20 2 295 27 ILE CG2 C 17.26 0.20 2 296 27 ILE CD1 C 11.16 0.20 2 297 27 ILE N N 117.67 0.25 1 298 28 LYS H H 8.48 0.02 1 299 28 LYS HA H 4.36 0.02 1 300 28 LYS HE2 H 2.88 0.02 1 301 28 LYS HE3 H 2.88 0.02 1 302 28 LYS HG2 H 1.31 0.02 2 303 28 LYS HG3 H 1.25 0.02 2 304 28 LYS HB2 H 1.76 0.02 2 305 28 LYS HB3 H 1.65 0.02 2 306 28 LYS HD2 H 1.61 0.02 1 307 28 LYS HD3 H 1.61 0.02 1 309 28 LYS CA C 55.16 0.20 1 310 28 LYS CB C 32.46 0.20 1 311 28 LYS CG C 24.56 0.20 1 312 28 LYS CD C 28.46 0.20 1 313 28 LYS CE C 42.26 0.20 1 314 28 LYS N N 125.87 0.25 1 315 29 ASP H H 7.81 0.02 1 316 29 ASP HA H 4.86 0.02 1 317 29 ASP HB2 H 2.46 0.02 1 318 29 ASP HB3 H 2.46 0.02 1 319 29 ASP CA C 51.76 0.20 1 320 29 ASP CB C 43.76 0.20 1 322 30 PRO HA H 4.35 0.02 1 323 30 PRO HB2 H 1.94 0.02 2 324 30 PRO HB3 H 1.99 0.02 2 325 30 PRO HD2 H 3.81 0.02 1 326 30 PRO HD3 H 3.81 0.02 1 327 30 PRO HG2 H 1.94 0.02 1 328 30 PRO HG3 H 1.94 0.02 1 329 30 PRO C C 178.00 0.20 1 330 30 PRO CA C 64.26 0.20 1 331 30 PRO CB C 32.26 0.20 1 332 30 PRO CG C 27.06 0.20 1 333 30 PRO CD C 51.46 0.20 1 334 31 ARG H H 8.83 0.02 1 335 31 ARG HA H 3.99 0.02 1 336 31 ARG HB2 H 1.58 0.02 2 337 31 ARG HB3 H 1.64 0.02 2 338 31 ARG HD2 H 3.04 0.02 1 339 31 ARG HD3 H 3.04 0.02 1 340 31 ARG C C 176.80 0.20 1 341 31 ARG CA C 57.56 0.20 1 342 31 ARG CB C 30.26 0.20 1 343 31 ARG CG C 32.76 0.20 1 344 31 ARG CD C 42.86 0.20 1 345 31 ARG N N 116.97 0.25 1 346 32 LEU H H 7.69 0.02 1 347 32 LEU HA H 4.33 0.02 1 348 32 LEU HB2 H 1.60 0.02 1 349 32 LEU HB3 H 1.60 0.02 1 350 32 LEU HG H 1.30 0.02 1 351 32 LEU HD1 H 0.69 0.02 1 352 32 LEU HD2 H 0.69 0.02 1 353 32 LEU C C 177.70 0.20 1 354 32 LEU CA C 54.66 0.20 1 356 32 LEU CG C 23.56 0.20 1 357 32 LEU CD1 C 25.26 0.20 1 358 32 LEU CD2 C 25.26 0.20 1 359 32 LEU N N 117.47 0.25 1 360 33 GLY H H 7.91 0.02 1 361 33 GLY HA2 H 3.92 0.02 1 362 33 GLY HA3 H 3.92 0.02 1 364 33 GLY CA C 46.06 0.20 1 365 33 GLY N N 106.57 0.25 1 366 34 MET H H 8.22 0.02 1 367 34 MET HA H 4.46 0.02 1 368 34 MET HB2 H 2.52 0.02 2 369 34 MET HB3 H 2.57 0.02 2 370 34 MET CA C 55.96 0.20 1 371 34 MET CB C 32.26 0.20 1 373 35 MET HA H 4.51 0.02 1 374 35 MET HG2 H 2.52 0.02 1 375 35 MET HG3 H 2.52 0.02 1 376 35 MET HB2 H 2.04 0.02 2 377 35 MET HB3 H 2.14 0.02 2 379 35 MET CB C 33.25 0.20 1 380 36 THR HB H 3.92 0.02 1 381 36 THR HG2 H 1.04 0.02 1 382 36 THR CB C 69.96 0.20 1 383 37 THR H H 8.62 0.02 1 384 37 THR HA H 4.56 0.02 1 385 37 THR HB H 3.97 0.02 1 386 37 THR HG2 H 0.98 0.02 1 387 37 THR C C 172.80 0.20 1 388 37 THR CA C 61.06 0.20 1 389 37 THR CB C 70.76 0.20 1 390 37 THR CG2 C 20.96 0.20 1 391 37 THR N N 111.57 0.25 1 392 38 VAL H H 8.75 0.02 1 393 38 VAL HA H 4.57 0.02 1 394 38 VAL HB H 2.11 0.02 1 395 38 VAL HG1 H 0.90 0.02 1 396 38 VAL HG2 H 0.90 0.02 1 397 38 VAL C C 175.50 0.20 1 398 38 VAL CA C 61.36 0.20 1 399 38 VAL CB C 31.96 0.20 1 400 38 VAL CG1 C 22.06 0.20 1 401 38 VAL CG2 C 22.06 0.20 1 402 38 VAL N N 123.47 0.25 1 403 39 SER H H 9.25 0.02 1 404 39 SER HA H 4.33 0.02 1 405 39 SER HB2 H 3.75 0.02 2 406 39 SER HB3 H 3.53 0.02 2 407 39 SER C C 175.60 0.20 1 408 39 SER CA C 59.06 0.20 1 410 39 SER N N 124.97 0.25 1 411 40 GLY H H 7.59 0.02 1 412 40 GLY HA2 H 4.00 0.02 1 413 40 GLY HA3 H 4.00 0.02 1 414 40 GLY C C 170.30 0.20 1 415 40 GLY CA C 46.06 0.20 1 416 40 GLY N N 107.57 0.25 1 417 41 VAL H H 8.26 0.02 1 418 41 VAL HA H 5.06 0.02 1 419 41 VAL HB H 1.95 0.02 1 420 41 VAL HG1 H 0.74 0.02 1 421 41 VAL HG2 H 0.74 0.02 1 422 41 VAL C C 174.10 0.20 1 423 41 VAL CA C 60.86 0.20 1 424 41 VAL CB C 36.26 0.20 1 425 41 VAL CG1 C 22.26 0.20 1 426 41 VAL CG2 C 22.26 0.20 1 427 41 VAL N N 119.67 0.25 1 428 42 GLU H H 9.23 0.02 1 429 42 GLU HA H 4.67 0.02 1 430 42 GLU HB2 H 2.00 0.02 1 431 42 GLU HB3 H 2.00 0.02 1 432 42 GLU C C 175.40 0.20 1 433 42 GLU CA C 54.46 0.20 1 434 42 GLU CB C 32.86 0.20 1 435 42 GLU CG C 35.66 0.20 1 436 42 GLU N N 125.57 0.25 1 437 43 MET H H 9.10 0.02 1 438 43 MET HA H 5.20 0.02 1 439 43 MET HB2 H 2.14 0.02 2 440 43 MET HB3 H 1.89 0.02 2 441 43 MET HG2 H 2.61 0.02 1 442 43 MET HG3 H 2.61 0.02 1 443 43 MET C C 176.70 0.20 1 444 43 MET CA C 53.36 0.20 1 445 43 MET CB C 33.96 0.20 1 446 43 MET CG C 31.96 0.20 1 447 43 MET N N 124.67 0.25 1 448 44 SER H H 8.74 0.02 1 449 44 SER HA H 4.37 0.02 1 450 44 SER HB2 H 3.88 0.02 1 451 44 SER HB3 H 3.88 0.02 1 452 44 SER C C 176.50 0.20 1 453 44 SER CA C 58.46 0.20 1 454 44 SER CB C 63.76 0.20 1 455 44 SER N N 117.77 0.25 1 456 45 ARG H H 8.94 0.02 1 457 45 ARG HA H 3.99 0.02 1 458 45 ARG HB2 H 1.84 0.02 2 459 45 ARG HB3 H 1.65 0.02 2 460 45 ARG HG2 H 1.70 0.02 1 461 45 ARG HG3 H 1.70 0.02 1 462 45 ARG HD2 H 3.17 0.02 1 463 45 ARG HD3 H 3.17 0.02 1 464 45 ARG C C 176.70 0.20 1 465 45 ARG CA C 59.26 0.20 1 466 45 ARG CB C 29.66 0.20 1 467 45 ARG CG C 27.26 0.20 1 468 45 ARG CD C 43.16 0.20 1 469 45 ARG N N 121.67 0.25 1 470 46 ASP H H 7.92 0.02 1 471 46 ASP HA H 4.39 0.02 1 472 46 ASP HB2 H 3.03 0.02 2 473 46 ASP HB3 H 2.54 0.02 2 474 46 ASP C C 176.10 0.20 1 475 46 ASP CA C 52.86 0.20 1 476 46 ASP CB C 40.16 0.20 1 477 46 ASP N N 113.77 0.25 1 478 47 LEU H H 7.97 0.02 1 479 47 LEU HA H 3.66 0.02 1 480 47 LEU HB2 H 2.08 0.02 2 481 47 LEU HB3 H 1.53 0.02 2 482 47 LEU HD1 H 0.84 0.02 1 483 47 LEU HD2 H 0.84 0.02 1 484 47 LEU C C 174.60 0.20 1 485 47 LEU CA C 57.06 0.20 1 486 47 LEU CB C 38.76 0.20 1 487 47 LEU CG C 27.66 0.20 1 488 47 LEU CD1 C 25.86 0.20 2 489 47 LEU CD2 C 23.56 0.20 2 490 47 LEU N N 113.47 0.25 1 491 48 ALA H H 7.54 0.02 1 492 48 ALA HA H 3.94 0.02 1 493 48 ALA HB H 1.08 0.02 1 494 48 ALA C C 177.20 0.20 1 495 48 ALA CA C 53.36 0.20 1 496 48 ALA CB C 19.76 0.20 1 497 48 ALA N N 117.97 0.25 1 498 49 TYR H H 7.95 0.02 1 499 49 TYR HA H 4.97 0.02 1 500 49 TYR HB2 H 2.70 0.02 2 501 49 TYR HB3 H 3.00 0.02 2 502 49 TYR C C 173.30 0.20 1 503 49 TYR CA C 56.86 0.20 1 504 49 TYR CB C 41.76 0.20 1 505 49 TYR CD1 C 133.76 0.20 1 506 49 TYR CD2 C 133.76 0.20 1 507 49 TYR CE1 C 118.06 0.20 1 508 49 TYR CE2 C 118.06 0.20 1 509 49 TYR HD1 H 7.09 0.02 1 510 49 TYR HD2 H 7.09 0.02 1 511 49 TYR HE1 H 6.80 0.02 1 512 49 TYR HE2 H 6.80 0.02 1 513 49 TYR N N 115.67 0.25 1 514 50 ALA H H 8.88 0.02 1 515 50 ALA HA H 5.15 0.02 1 516 50 ALA HB H 0.98 0.02 1 517 50 ALA C C 175.30 0.20 1 518 50 ALA CA C 50.86 0.20 1 519 50 ALA CB C 22.16 0.20 1 520 50 ALA N N 122.87 0.25 1 521 51 LYS H H 8.79 0.02 1 522 51 LYS HA H 4.75 0.02 1 523 51 LYS HB2 H 1.66 0.02 2 524 51 LYS HB3 H 1.32 0.02 2 525 51 LYS HE2 H 2.62 0.02 1 526 51 LYS HE3 H 2.62 0.02 1 527 51 LYS HG2 H 1.19 0.02 2 528 51 LYS HG3 H 1.51 0.02 2 529 51 LYS C C 174.40 0.20 1 530 51 LYS CA C 54.86 0.20 1 531 51 LYS CB C 34.26 0.20 1 532 51 LYS CG C 25.26 0.20 1 533 51 LYS CE C 41.96 0.20 1 534 51 LYS N N 122.77 0.25 1 535 52 VAL H H 8.82 0.02 1 536 52 VAL HA H 4.28 0.02 1 537 52 VAL HB H 1.41 0.02 1 538 52 VAL HG1 H 0.86 0.02 2 539 52 VAL HG2 H 0.37 0.02 2 540 52 VAL C C 173.60 0.20 1 541 52 VAL CA C 61.36 0.20 1 542 52 VAL CB C 32.56 0.20 1 543 52 VAL CG1 C 22.66 0.20 2 544 52 VAL CG2 C 20.86 0.20 2 545 52 VAL N N 123.77 0.25 1 546 53 TYR H H 8.81 0.02 1 547 53 TYR HA H 5.27 0.02 1 548 53 TYR HB2 H 2.66 0.02 1 549 53 TYR HB3 H 2.66 0.02 1 550 53 TYR C C 176.00 0.20 1 551 53 TYR CA C 57.46 0.20 1 552 53 TYR CB C 39.76 0.20 1 553 53 TYR N N 126.77 0.25 1 554 53 TYR CD1 C 132.96 0.20 1 555 53 TYR CD2 C 132.96 0.20 1 556 53 TYR CE1 C 118.06 0.20 1 557 53 TYR CE2 C 118.06 0.20 1 558 53 TYR HD1 H 6.70 0.02 1 559 53 TYR HD2 H 6.70 0.02 1 560 53 TYR HE1 H 6.39 0.02 1 561 53 TYR HE2 H 6.39 0.02 1 562 54 VAL H H 8.71 0.02 1 563 54 VAL HA H 5.48 0.02 1 564 54 VAL HB H 2.04 0.02 1 565 54 VAL HG1 H 0.67 0.02 1 566 54 VAL HG2 H 0.67 0.02 1 567 54 VAL C C 174.50 0.20 1 568 54 VAL CA C 58.76 0.20 1 569 54 VAL CB C 35.86 0.20 1 570 54 VAL CG2 C 19.36 0.20 1 571 54 VAL CG1 C 19.36 0.20 1 572 54 VAL N N 114.87 0.25 1 573 55 THR HA H 4.39 0.02 1 574 55 THR HB H 4.12 0.02 1 575 55 THR HG2 H 1.06 0.02 1 576 55 THR H H 8.60 0.02 1 577 55 THR C C 172.40 0.20 1 578 55 THR CA C 60.26 0.20 1 579 55 THR CB C 71.26 0.20 1 580 55 THR CG2 C 22.06 0.20 1 581 55 THR N N 111.77 0.25 1 582 56 PHE H H 8.14 0.02 1 583 56 PHE HA H 5.44 0.02 1 584 56 PHE HB2 H 3.40 0.02 2 585 56 PHE HB3 H 2.99 0.02 2 586 56 PHE HE1 H 7.15 0.02 1 587 56 PHE HE2 H 7.15 0.02 1 588 56 PHE HD1 H 6.93 0.02 1 589 56 PHE HD2 H 6.93 0.02 1 590 56 PHE HZ H 7.28 0.02 1 591 56 PHE C C 176.00 0.20 1 592 56 PHE CA C 55.46 0.20 1 593 56 PHE CB C 41.46 0.20 1 594 56 PHE CE1 C 131.96 0.20 1 595 56 PHE CE2 C 131.96 0.20 1 596 56 PHE CD1 C 131.96 0.20 1 597 56 PHE CD2 C 131.96 0.20 1 598 56 PHE CZ C 132.36 0.20 1 599 56 PHE N N 118.37 0.25 1 600 57 LEU H H 8.35 0.02 1 601 57 LEU HA H 4.21 0.02 1 602 57 LEU HB2 H 1.67 0.02 1 603 57 LEU HB3 H 1.67 0.02 1 604 57 LEU HG H 1.67 0.02 1 605 57 LEU HD1 H 0.93 0.02 1 606 57 LEU HD2 H 0.93 0.02 1 607 57 LEU C C 177.40 0.20 1 608 57 LEU CA C 56.86 0.20 1 609 57 LEU CB C 42.66 0.20 1 610 57 LEU CG C 27.26 0.20 1 611 57 LEU CD1 C 24.76 0.20 1 612 57 LEU CD2 C 24.76 0.20 1 613 57 LEU N N 120.27 0.25 1 614 58 ASN H H 8.30 0.02 1 615 58 ASN HA H 4.82 0.02 1 616 58 ASN HB2 H 2.95 0.02 2 617 58 ASN HB3 H 2.69 0.02 2 618 58 ASN HD21 H 7.52 0.02 2 619 58 ASN HD22 H 6.83 0.02 2 620 58 ASN C C 174.30 0.20 1 621 58 ASN CA C 52.56 0.20 1 622 58 ASN CB C 38.16 0.20 1 623 58 ASN N N 115.37 0.25 1 624 58 ASN ND2 N 111.10 0.25 1 625 59 ASP H H 8.05 0.02 1 626 59 ASP HA H 4.47 0.02 1 627 59 ASP HB2 H 2.74 0.02 1 628 59 ASP HB3 H 2.74 0.02 1 629 59 ASP C C 176.00 0.20 1 630 59 ASP CA C 53.56 0.20 1 631 59 ASP CB C 40.06 0.20 1 632 59 ASP N N 118.37 0.25 1 633 60 LYS H H 8.14 0.02 1 634 60 LYS HA H 4.18 0.02 1 635 60 LYS HB2 H 1.82 0.02 2 636 60 LYS HB3 H 1.41 0.02 2 637 60 LYS HG2 H 1.44 0.02 1 638 60 LYS HG3 H 1.44 0.02 1 639 60 LYS HE2 H 2.97 0.02 1 640 60 LYS HE3 H 2.97 0.02 1 641 60 LYS C C 176.00 0.20 1 642 60 LYS CA C 56.76 0.20 1 643 60 LYS CB C 32.66 0.20 1 644 60 LYS CG C 24.86 0.20 1 645 60 LYS CD C 32.66 0.20 1 646 60 LYS CE C 42.16 0.20 1 647 60 LYS N N 117.87 0.25 1 648 61 ASP H H 7.63 0.02 1 649 61 ASP HA H 4.65 0.02 1 650 61 ASP HB2 H 2.87 0.02 2 651 61 ASP HB3 H 2.67 0.02 2 652 61 ASP C C 175.50 0.20 1 653 61 ASP CA C 52.56 0.20 1 654 61 ASP CB C 41.26 0.20 1 655 61 ASP N N 117.87 0.25 1 656 62 GLU H H 8.62 0.02 1 657 62 GLU HA H 3.84 0.02 1 658 62 GLU HB2 H 2.03 0.02 2 659 62 GLU HB3 H 1.98 0.02 2 660 62 GLU HG2 H 2.34 0.02 1 661 62 GLU HG3 H 2.34 0.02 1 662 62 GLU C C 178.30 0.20 1 663 62 GLU CA C 59.36 0.20 1 664 62 GLU CB C 29.46 0.20 1 665 62 GLU CG C 35.06 0.20 1 666 62 GLU N N 122.37 0.25 1 667 63 ASP H H 8.28 0.02 1 668 63 ASP HA H 4.34 0.02 1 669 63 ASP HB2 H 2.70 0.02 2 670 63 ASP HB3 H 2.58 0.02 2 671 63 ASP C C 178.60 0.20 1 672 63 ASP CA C 57.36 0.20 1 673 63 ASP CB C 39.96 0.20 1 674 63 ASP N N 118.27 0.25 1 675 64 ALA H H 7.83 0.02 1 676 64 ALA N N 124.07 0.25 1 677 64 ALA HA H 4.07 0.02 1 678 64 ALA HB H 1.39 0.02 1 679 64 ALA C C 175.40 0.20 1 680 64 ALA CA C 54.66 0.20 1 681 64 ALA CB C 18.26 0.20 1 682 65 VAL H H 7.85 0.02 1 683 65 VAL HA H 3.19 0.02 1 684 65 VAL HB H 1.83 0.02 1 685 65 VAL HG1 H 0.57 0.02 2 686 65 VAL HG2 H 0.30 0.02 2 687 65 VAL C C 177.50 0.20 1 688 65 VAL CA C 66.36 0.20 1 689 65 VAL CB C 31.26 0.20 1 690 65 VAL CG1 C 22.26 0.20 2 691 65 VAL CG2 C 20.86 0.20 2 692 65 VAL N N 119.67 0.25 1 693 66 LYS H H 7.94 0.02 1 694 66 LYS HA H 3.77 0.02 1 695 66 LYS HB2 H 1.82 0.02 1 696 66 LYS HB3 H 1.82 0.02 1 697 66 LYS HG2 H 1.39 0.02 2 698 66 LYS HG3 H 1.52 0.02 2 699 66 LYS C C 179.70 0.20 1 700 66 LYS CA C 59.86 0.20 1 701 66 LYS CB C 32.46 0.20 1 702 66 LYS CG C 23.76 0.20 1 703 66 LYS N N 117.37 0.25 1 704 67 ALA H H 7.90 0.02 1 705 67 ALA HA H 4.07 0.02 1 706 67 ALA HB H 1.41 0.02 1 707 67 ALA C C 179.70 0.20 1 708 67 ALA CA C 54.66 0.20 1 710 67 ALA N N 120.57 0.25 1 711 68 GLY H H 8.05 0.02 1 712 68 GLY HA2 H 3.46 0.02 2 713 68 GLY HA3 H 3.34 0.02 2 714 68 GLY C C 175.10 0.20 1 715 68 GLY CA C 47.16 0.20 1 716 68 GLY N N 107.37 0.25 1 717 69 ILE H H 8.25 0.02 1 718 69 ILE HA H 3.80 0.02 1 719 69 ILE HB H 2.14 0.02 1 720 69 ILE HG2 H 0.83 0.02 1 721 69 ILE HG12 H 1.60 0.02 1 722 69 ILE HG13 H 1.60 0.02 1 723 69 ILE HD1 H 0.72 0.02 1 725 69 ILE CA C 62.46 0.20 1 726 69 ILE CB C 35.46 0.20 1 727 69 ILE CG2 C 17.36 0.20 1 728 69 ILE CD1 C 10.36 0.20 1 729 69 ILE N N 120.67 0.25 1 730 70 LYS H H 7.82 0.02 1 731 70 LYS CA C 59.46 0.20 1 732 70 LYS CB C 27.46 0.20 1 733 70 LYS N N 119.57 0.25 1 734 71 ALA H H 7.93 0.02 1 735 71 ALA HA H 3.92 0.02 1 736 71 ALA HB H 1.30 0.02 1 737 71 ALA C C 180.80 0.20 1 738 71 ALA CA C 55.16 0.20 1 739 71 ALA CB C 18.46 0.20 1 740 71 ALA N N 120.07 0.25 1 741 72 LEU H H 7.69 0.02 1 742 72 LEU HA H 3.47 0.02 1 743 72 LEU HB2 H 1.39 0.02 1 744 72 LEU HB3 H 1.39 0.02 1 745 72 LEU HD1 H 0.68 0.02 1 746 72 LEU HD2 H 0.68 0.02 1 747 72 LEU C C 177.70 0.20 1 748 72 LEU CA C 57.76 0.20 1 749 72 LEU CB C 40.16 0.20 1 750 72 LEU CG C 26.46 0.20 1 751 72 LEU CD1 C 23.66 0.20 1 752 72 LEU CD2 C 23.66 0.20 1 753 72 LEU N N 118.67 0.25 1 754 73 GLN H H 8.42 0.02 1 755 73 GLN HA H 4.00 0.02 1 756 73 GLN HB2 H 2.40 0.02 2 757 73 GLN HB3 H 2.26 0.02 2 758 73 GLN HG2 H 2.56 0.02 1 759 73 GLN HG3 H 2.56 0.02 1 760 73 GLN HE21 H 6.88 0.02 2 761 73 GLN HE22 H 7.61 0.02 2 762 73 GLN C C 181.40 0.20 1 763 73 GLN CA C 58.86 0.20 1 764 73 GLN CB C 28.66 0.20 1 765 73 GLN CG C 34.16 0.20 1 766 73 GLN N N 117.57 0.25 1 767 73 GLN NE2 N 114.00 0.25 1 768 74 GLU H H 8.74 0.02 1 769 74 GLU HA H 4.09 0.02 1 770 74 GLU HB2 H 2.12 0.02 1 771 74 GLU HB3 H 2.12 0.02 1 772 74 GLU HG2 H 2.60 0.02 2 773 74 GLU HG3 H 2.34 0.02 2 774 74 GLU C C 178.20 0.20 1 775 74 GLU CA C 58.96 0.20 1 776 74 GLU CB C 29.36 0.20 1 777 74 GLU CG C 36.46 0.20 1 778 74 GLU N N 119.37 0.25 1 779 75 ALA H H 7.53 0.02 1 780 75 ALA HA H 4.70 0.02 1 781 75 ALA HB H 1.51 0.02 1 782 75 ALA C C 178.10 0.20 1 783 75 ALA CA C 51.96 0.20 1 784 75 ALA CB C 18.46 0.20 1 785 75 ALA N N 119.67 0.25 1 786 76 SER H H 7.79 0.02 1 787 76 SER HA H 3.98 0.02 1 788 76 SER HB2 H 4.38 0.02 2 789 76 SER HB3 H 4.22 0.02 2 790 76 SER C C 176.20 0.20 1 791 76 SER CA C 63.56 0.20 1 793 76 SER N N 115.67 0.25 1 794 77 GLY H H 8.83 0.02 1 795 77 GLY HA2 H 3.88 0.02 2 796 77 GLY HA3 H 4.02 0.02 2 797 77 GLY C C 176.30 0.20 1 798 77 GLY CA C 47.46 0.20 1 799 77 GLY N N 110.57 0.25 1 800 78 PHE H H 8.09 0.02 1 801 78 PHE HA H 4.56 0.02 1 802 78 PHE HB2 H 3.33 0.02 2 803 78 PHE HB3 H 3.24 0.02 2 804 78 PHE C C 178.00 0.20 1 805 78 PHE CA C 59.86 0.20 1 806 78 PHE CB C 38.96 0.20 1 807 78 PHE N N 125.27 0.25 1 808 79 ILE H H 8.81 0.02 1 809 79 ILE HA H 3.31 0.02 1 810 79 ILE HB H 1.92 0.02 1 811 79 ILE HG2 H 0.85 0.02 1 812 79 ILE HD1 H 0.77 0.02 1 813 79 ILE C C 177.60 0.20 1 814 79 ILE CA C 66.36 0.20 1 815 79 ILE CB C 38.36 0.20 1 816 79 ILE CG1 C 28.96 0.20 1 817 79 ILE CG2 C 17.26 0.20 1 818 79 ILE CD1 C 14.46 0.20 1 819 79 ILE N N 119.07 0.25 1 820 80 ARG H H 8.85 0.02 1 821 80 ARG C C 178.00 0.20 1 822 80 ARG CA C 60.76 0.20 1 823 80 ARG CB C 30.56 0.20 1 824 80 ARG CD C 44.26 0.20 1 825 80 ARG HA H 3.72 0.02 1 826 80 ARG HB2 H 1.95 0.02 1 827 80 ARG HB3 H 1.95 0.02 1 828 80 ARG HG2 H 1.38 0.02 1 829 80 ARG HG3 H 1.38 0.02 1 830 80 ARG HD2 H 3.37 0.02 2 831 80 ARG HD3 H 3.20 0.02 2 832 80 ARG N N 118.07 0.25 1 833 81 SER H H 7.84 0.02 1 834 81 SER HA H 4.18 0.02 1 835 81 SER HB2 H 4.04 0.02 1 836 81 SER HB3 H 4.04 0.02 1 837 81 SER C C 177.50 0.20 1 838 81 SER CA C 61.46 0.20 1 839 81 SER CB C 62.66 0.20 1 840 81 SER N N 114.37 0.25 1 841 82 LEU H H 7.66 0.02 1 842 82 LEU HA H 3.98 0.02 1 843 82 LEU HB2 H 1.24 0.02 2 844 82 LEU HB3 H 1.74 0.02 2 845 82 LEU HG H 1.26 0.02 1 846 82 LEU HD1 H 0.33 0.02 2 847 82 LEU HD2 H 0.66 0.02 2 848 82 LEU C C 180.30 0.20 1 849 82 LEU CA C 57.66 0.20 1 850 82 LEU CB C 41.56 0.20 1 851 82 LEU CG C 27.06 0.20 1 852 82 LEU CD2 C 22.36 0.20 1 853 82 LEU CD1 C 22.36 0.20 1 854 82 LEU N N 121.87 0.25 1 855 83 LEU H H 8.78 0.02 1 856 83 LEU HA H 3.87 0.02 1 857 83 LEU HB2 H 1.66 0.02 1 858 83 LEU HB3 H 1.66 0.02 1 859 83 LEU HD1 H 0.72 0.02 2 860 83 LEU HD2 H 0.80 0.02 2 861 83 LEU C C 178.60 0.20 1 862 83 LEU CA C 57.96 0.20 1 864 83 LEU CD1 C 21.86 0.20 2 865 83 LEU CD2 C 25.76 0.20 2 866 83 LEU N N 122.47 0.25 1 867 84 GLY H H 8.34 0.02 1 868 84 GLY HA2 H 3.66 0.02 2 869 84 GLY HA3 H 3.93 0.02 2 871 84 GLY CA C 47.76 0.20 1 872 84 GLY N N 103.87 0.25 1 873 85 LYS H H 7.16 0.02 1 874 85 LYS HA H 4.16 0.02 1 875 85 LYS HB2 H 1.86 0.02 1 876 85 LYS HB3 H 1.86 0.02 1 877 85 LYS HE2 H 2.95 0.02 1 878 85 LYS HE3 H 2.95 0.02 1 879 85 LYS HG2 H 1.42 0.02 1 880 85 LYS HG3 H 1.42 0.02 1 881 85 LYS HD2 H 1.71 0.02 1 882 85 LYS HD3 H 1.71 0.02 1 883 85 LYS CA C 58.16 0.20 1 884 85 LYS CB C 32.76 0.20 1 885 85 LYS CG C 25.06 0.20 1 886 85 LYS CE C 42.06 0.20 1 887 85 LYS N N 117.87 0.25 1 888 86 ALA H H 7.94 0.02 1 889 86 ALA HA H 4.13 0.02 1 890 86 ALA HB H 1.41 0.02 1 891 86 ALA C C 179.00 0.20 1 892 86 ALA CA C 54.46 0.20 1 893 86 ALA CB C 19.36 0.20 1 894 86 ALA N N 120.27 0.25 1 895 87 MET H H 8.10 0.02 1 896 87 MET HA H 4.35 0.02 1 897 87 MET HB2 H 1.77 0.02 2 898 87 MET HB3 H 2.22 0.02 2 899 87 MET HG2 H 2.48 0.02 1 900 87 MET HG3 H 2.48 0.02 1 901 87 MET C C 174.50 0.20 1 902 87 MET CA C 55.56 0.20 1 903 87 MET CB C 34.46 0.20 1 904 87 MET CG C 32.76 0.20 1 905 87 MET N N 112.17 0.25 1 906 88 ARG H H 7.82 0.02 1 907 88 ARG HA H 4.02 0.02 1 908 88 ARG HB2 H 1.79 0.02 1 909 88 ARG HB3 H 1.79 0.02 1 910 88 ARG HG2 H 1.51 0.02 1 911 88 ARG HG3 H 1.51 0.02 1 912 88 ARG HD2 H 3.14 0.02 1 913 88 ARG HD3 H 3.14 0.02 1 914 88 ARG C C 175.50 0.20 1 915 88 ARG CA C 56.26 0.20 1 916 88 ARG CB C 27.26 0.20 1 917 88 ARG CD C 43.46 0.20 1 918 88 ARG N N 117.47 0.25 1 919 89 LEU H H 7.76 0.02 1 920 89 LEU HA H 4.43 0.02 1 921 89 LEU HB2 H 1.44 0.02 2 922 89 LEU HB3 H 1.36 0.02 2 923 89 LEU HD1 H 0.86 0.02 1 924 89 LEU HD2 H 0.86 0.02 1 925 89 LEU C C 176.70 0.20 1 926 89 LEU CA C 53.56 0.20 1 927 89 LEU CB C 44.46 0.20 1 928 89 LEU CD1 C 25.86 0.20 2 929 89 LEU CD2 C 22.86 0.20 2 930 89 LEU N N 118.97 0.25 1 931 90 ARG H H 8.52 0.02 1 932 90 ARG HA H 4.03 0.02 1 933 90 ARG HG2 H 1.55 0.02 1 934 90 ARG HG3 H 1.55 0.02 1 935 90 ARG HB2 H 1.74 0.02 1 936 90 ARG HB3 H 1.74 0.02 1 937 90 ARG HD2 H 3.14 0.02 1 938 90 ARG HD3 H 3.14 0.02 1 939 90 ARG C C 176.40 0.20 1 940 90 ARG CA C 58.16 0.20 1 941 90 ARG CB C 30.56 0.20 1 942 90 ARG CD C 43.36 0.20 1 943 90 ARG N N 122.07 0.25 1 944 91 ILE H H 7.57 0.02 1 945 91 ILE HA H 4.12 0.02 1 946 91 ILE HB H 1.62 0.02 1 947 91 ILE HG12 H 1.30 0.02 2 948 91 ILE HG13 H 0.98 0.02 2 949 91 ILE HG2 H 0.63 0.02 1 950 91 ILE HD1 H 0.74 0.02 1 952 91 ILE CA C 59.36 0.20 1 953 91 ILE CB C 39.56 0.20 1 954 91 ILE CG2 C 16.96 0.20 2 955 91 ILE CG1 C 26.96 0.20 2 956 91 ILE CD1 C 12.96 0.20 1 957 91 ILE N N 116.87 0.25 1 958 92 VAL H H 8.71 0.02 1 959 92 VAL HA H 4.23 0.02 1 960 92 VAL HB H 1.88 0.02 1 961 92 VAL HG1 H 0.86 0.02 1 962 92 VAL HG2 H 0.86 0.02 1 963 92 VAL CA C 59.26 0.20 1 964 92 VAL CB C 32.66 0.20 1 965 92 VAL CG1 C 21.96 0.20 1 966 92 VAL CG2 C 21.96 0.20 1 968 93 PRO HA H 4.09 0.02 1 969 93 PRO HB2 H 1.86 0.02 2 970 93 PRO HB3 H 1.41 0.02 2 971 93 PRO HG2 H 1.80 0.02 2 972 93 PRO HG3 H 1.59 0.02 2 973 93 PRO HD2 H 3.37 0.02 2 974 93 PRO HD3 H 3.86 0.02 2 975 93 PRO C C 176.00 0.20 1 976 93 PRO CA C 62.86 0.20 1 977 93 PRO CB C 31.56 0.20 1 978 93 PRO CG C 26.86 0.20 1 979 93 PRO CD C 50.86 0.20 1 980 94 GLU H H 7.63 0.02 1 981 94 GLU HA H 4.02 0.02 1 982 94 GLU HG3 H 2.33 0.02 2 983 94 GLU HG2 H 2.19 0.02 2 984 94 GLU HB2 H 2.05 0.02 1 985 94 GLU HB3 H 2.05 0.02 1 986 94 GLU C C 175.80 0.20 1 987 94 GLU CA C 56.96 0.20 1 988 94 GLU CB C 30.26 0.20 1 989 94 GLU CG C 35.76 0.20 1 990 94 GLU N N 119.17 0.25 1 991 95 LEU H H 8.54 0.02 1 992 95 LEU HA H 4.97 0.02 1 993 95 LEU HB2 H 1.68 0.02 1 994 95 LEU HB3 H 1.68 0.02 1 995 95 LEU HG H 1.63 0.02 1 996 95 LEU HD1 H 0.43 0.02 1 997 95 LEU HD2 H 0.43 0.02 1 998 95 LEU C C 177.50 0.20 1 999 95 LEU CA C 53.86 0.20 1 1000 95 LEU CB C 44.46 0.20 1 1001 95 LEU CG C 26.86 0.20 1 1002 95 LEU CD1 C 23.56 0.20 1 1003 95 LEU CD2 C 23.56 0.20 1 1004 95 LEU N N 122.37 0.25 1 1005 96 THR H H 8.06 0.02 1 1006 96 THR HA H 4.68 0.02 1 1007 96 THR HB H 3.83 0.02 1 1008 96 THR HG2 H 0.91 0.02 1 1009 96 THR C C 172.40 0.20 1 1010 96 THR CA C 61.46 0.20 1 1011 96 THR CB C 70.86 0.20 1 1012 96 THR CG2 C 22.76 0.20 1 1013 96 THR N N 117.17 0.25 1 1014 97 PHE H H 8.46 0.02 1 1015 97 PHE HA H 5.15 0.02 1 1016 97 PHE HB2 H 2.69 0.02 1 1017 97 PHE HB3 H 2.69 0.02 1 1018 97 PHE HD1 H 6.84 0.02 1 1019 97 PHE HD2 H 6.84 0.02 1 1020 97 PHE HE1 H 7.09 0.02 1 1021 97 PHE HE2 H 7.09 0.02 1 1022 97 PHE C C 174.20 0.20 1 1023 97 PHE CA C 57.96 0.20 1 1024 97 PHE CB C 41.46 0.20 1 1025 97 PHE CD1 C 132.06 0.20 1 1026 97 PHE CD2 C 132.06 0.20 1 1027 97 PHE CE1 C 133.76 0.20 1 1028 97 PHE CE2 C 133.76 0.20 1 1029 97 PHE N N 123.27 0.25 1 1030 98 PHE H H 9.09 0.02 1 1031 98 PHE HA H 4.60 0.02 1 1032 98 PHE HB2 H 2.94 0.02 2 1033 98 PHE HB3 H 2.14 0.02 2 1034 98 PHE HD1 H 6.91 0.02 1 1035 98 PHE HD2 H 6.91 0.02 1 1036 98 PHE HE1 H 7.16 0.02 1 1037 98 PHE HE2 H 7.16 0.02 1 1038 98 PHE CD2 C 131.86 0.20 1 1039 98 PHE CD1 C 131.86 0.20 1 1040 98 PHE CE1 C 131.86 0.20 1 1041 98 PHE CE2 C 131.86 0.20 1 1042 98 PHE C C 174.10 0.20 1 1043 98 PHE CA C 56.56 0.20 1 1044 98 PHE CB C 44.16 0.20 1 1045 98 PHE N N 118.67 0.25 1 1046 99 TYR H H 9.05 0.02 1 1047 99 TYR HA H 4.83 0.02 1 1048 99 TYR HB2 H 2.92 0.02 1 1049 99 TYR HB3 H 2.92 0.02 1 1051 99 TYR CA C 57.76 0.20 1 1052 99 TYR CB C 39.16 0.20 1 1053 99 TYR N N 121.97 0.25 1 1054 99 TYR CD1 C 133.26 0.20 1 1055 99 TYR CD2 C 133.26 0.20 1 1056 99 TYR CE1 C 118.16 0.20 1 1057 99 TYR CE2 C 118.16 0.20 1 1058 99 TYR HD1 H 7.00 0.02 1 1059 99 TYR HD2 H 7.00 0.02 1 1060 99 TYR HE1 H 6.75 0.02 1 1061 99 TYR HE2 H 6.75 0.02 1 1062 100 ASP H H 8.55 0.02 1 1063 100 ASP HA H 4.51 0.02 1 1064 100 ASP HB2 H 2.63 0.02 2 1065 100 ASP HB3 H 2.25 0.02 2 1066 100 ASP CA C 53.26 0.20 1 1067 100 ASP CB C 40.66 0.20 1 1068 100 ASP N N 127.27 0.25 1 1069 101 ASN H H 8.03 0.02 1 1070 101 ASN HA H 4.59 0.02 1 1071 101 ASN HB2 H 2.74 0.02 2 1072 101 ASN HB3 H 2.85 0.02 2 1073 101 ASN HD21 H 7.63 0.02 2 1074 101 ASN HD22 H 6.93 0.02 2 1075 101 ASN C C 175.80 0.20 1 1076 101 ASN CA C 52.76 0.20 1 1077 101 ASN CB C 38.66 0.20 1 1078 101 ASN N N 121.97 0.25 1 1079 101 ASN ND2 N 111.30 0.25 1 1080 102 SER H H 8.29 0.02 1 1081 102 SER HA H 4.15 0.02 1 1082 102 SER HB2 H 3.78 0.02 1 1083 102 SER HB3 H 3.78 0.02 1 1084 102 SER C C 174.70 0.20 1 1085 102 SER CA C 60.06 0.20 1 1086 102 SER CB C 63.46 0.20 1 1087 102 SER N N 115.27 0.25 1 1088 103 LEU H H 8.00 0.02 1 1089 103 LEU HA H 4.26 0.02 1 1090 103 LEU HB2 H 1.57 0.02 2 1091 103 LEU HB3 H 1.53 0.02 2 1092 103 LEU HD1 H 0.79 0.02 1 1093 103 LEU HD2 H 0.79 0.02 1 1094 103 LEU C C 177.50 0.20 1 1095 103 LEU CA C 55.46 0.20 1 1096 103 LEU CB C 41.96 0.20 1 1097 103 LEU CG C 27.26 0.20 1 1098 103 LEU CD1 C 23.76 0.20 1 1099 103 LEU CD2 C 23.76 0.20 1 1100 103 LEU N N 122.17 0.25 1 1101 104 VAL H H 7.84 0.02 1 1102 104 VAL HA H 4.00 0.02 1 1103 104 VAL HB H 2.02 0.02 1 1104 104 VAL HG1 H 0.88 0.02 1 1105 104 VAL HG2 H 0.88 0.02 1 1106 104 VAL C C 176.30 0.20 1 1107 104 VAL CA C 62.56 0.20 1 1108 104 VAL CB C 32.76 0.20 1 1109 104 VAL CG1 C 21.06 0.20 1 1110 104 VAL CG2 C 21.06 0.20 1 1111 104 VAL N N 119.37 0.25 1 1112 105 GLU H H 8.35 0.02 1 1113 105 GLU HA H 4.19 0.02 1 1114 105 GLU HG2 H 2.28 0.02 1 1115 105 GLU HG3 H 2.28 0.02 1 1116 105 GLU HB2 H 1.94 0.02 1 1117 105 GLU HB3 H 1.94 0.02 1 1118 105 GLU C C 176.70 0.20 1 1119 105 GLU CA C 56.66 0.20 1 1121 105 GLU CG C 35.16 0.20 1 1122 105 GLU N N 123.07 0.25 1 1123 106 GLY H H 8.32 0.02 1 1124 106 GLY HA2 H 3.91 0.02 1 1125 106 GLY HA3 H 3.91 0.02 1 1126 106 GLY C C 173.70 0.20 1 1127 106 GLY CA C 45.29 0.20 1 1128 106 GLY N N 108.87 0.25 1 1129 107 MET H H 8.05 0.02 1 1130 107 MET HA H 4.43 0.02 1 1131 107 MET HB2 H 2.47 0.02 2 1132 107 MET HB3 H 2.54 0.02 2 1134 107 MET CA C 55.66 0.20 1 1135 107 MET CB C 32.96 0.20 1 1136 107 MET N N 119.07 0.25 1 1137 108 ARG H H 7.91 0.02 1 1138 108 ARG HA H 4.13 0.02 1 1139 108 ARG HB2 H 1.65 0.02 2 1140 108 ARG HB3 H 1.78 0.02 2 1141 108 ARG HG2 H 1.52 0.02 1 1142 108 ARG HG3 H 1.52 0.02 1 1143 108 ARG HD2 H 3.07 0.02 1 1144 108 ARG HD3 H 3.07 0.02 1 1147 108 ARG CG C 27.06 0.20 1 1148 108 ARG CD C 43.36 0.20 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref-1 _Saveframe_category citation _PubMed_ID 9217263 _Citation_full ; Zimmerman, D. E., Kulikowski, C. A., Huang, Y., Feng, W., Tashiro, M., Shimotakahara, S., Chien, C. Y., Powers, R., and Montelione, G. T. J. Mol. Biol. 269, 592-610, (1997) ; save_