data_4394 #Corrected using PDB structure: 2IFEA # #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 # 27 Y HA 3.88 4.61 # 30 K HA 3.80 4.57 # 37 F HA 4.88 3.69 # 49 R HA 4.96 4.25 # 83 T HA 4.38 3.34 # 89 Q HA 5.75 4.84 # 91 I HA 5.21 4.44 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 82 P CA 56.47 66.95 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 35 I CB 42.22 37.10 # 40 E CB 36.72 30.61 # 83 T CB 70.72 64.91 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.19 0.27 0.42 N/A 1.65 -0.30 # #bmr4394.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4394.str file): #HA CA CB CO N HN #N/A +0.35 +0.35 N/A +1.65 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 +/-0.18 +/-0.30 N/A +/-0.46 +/-0.08 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.682 0.937 0.976 N/A 0.801 0.309 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.190 0.820 1.245 N/A 2.095 0.343 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Translation initiation factor IF3 from Escherichia coli Ribosome binding domain (residues 84-180) ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 "DE COCK" E. . . 2 GARCIA C. . . 3 DARDEL F. . . stop_ _BMRB_accession_number 4394 _BMRB_flat_file_name bmr4394.str _Entry_type new _Submission_date 1999-09-09 _Accession_date 1999-09-09 _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' 527 '13C chemical shifts' 256 '15N chemical shifts' 92 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; DE COCK, E., BLANQUET, S., LALLEMAND, J. -Y., and DARDEL, F., "INTERACTION OF E. COLI TRANSLATION INITIATION FACTOR IF3 WITH THE RIBOSOME," in preparation. ; _Citation_title ; INTERACTION OF E. COLI TRANSLATION INITIATION FACTOR IF3 WITH THE RIBOSOME ; _Citation_status 'in preparation' _Citation_type journal _MEDLINE_UI_code . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 "DE COCK" E. . . 2 BLANQUET S. . . 3 LALLEMAND J. -Y. . 4 DARDEL F. . . stop_ _Journal_abbreviation ? _Journal_name_full ? _Journal_volume ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "INITIATION FACTOR" stop_ save_ ################################## # Molecular system description # ################################## save_system_IF3 _Saveframe_category molecular_system _Mol_system_name "TRANSLATION INITIATION FACTOR IF3" _Abbreviation_common IF3 loop_ _Mol_system_component_name _Mol_label "IF3 ribosome binding domain" $IF3 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function ; -bacterial translation initiation factor -promotes dissociation of ribosomal subunits -destabilizes non-cognate initiation ternary complexes (tRNA/mRNA/30S) ; stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 2IFEA " Chain A, Translation Initiation Factor If3 From Escherichia Coli Ribosome Binding Domain (Residues 84-180)" . stop_ save_ ######################## # Monomeric polymers # ######################## save_IF3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "TRANSLATION INITIATION FACTOR IF3" _Name_variant . _Abbreviation_common IF3 ############################## # Polymer residue sequence # ############################## _Residue_count 180 _Mol_residue_sequence ; MEFQKKKQKVIQVKEIKFRP GTDEGDYQVKLRSLIRFLEE GDKAKITLRFRGREMAHQQI GMEVLNRVKDDLQELAVVES FPTKIEGRQMIMVLAPKKKQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 PHE 4 84 GLN 5 85 LYS 6 86 LYS 7 87 LYS 8 88 GLN 9 89 LYS 10 90 VAL 11 91 ILE 12 92 GLN 13 93 VAL 14 94 LYS 15 95 GLU 16 96 ILE 17 97 LYS 18 98 PHE 19 99 ARG 20 100 PRO 21 101 GLY 22 102 THR 23 103 ASP 24 104 GLU 25 105 GLY 26 106 ASP 27 107 TYR 28 108 GLN 29 109 VAL 30 110 LYS 31 111 LEU 32 112 ARG 33 113 SER 34 114 LEU 35 115 ILE 36 116 ARG 37 117 PHE 38 118 LEU 39 119 GLU 40 120 GLU 41 121 GLY 42 122 ASP 43 123 LYS 44 124 ALA 45 125 LYS 46 126 ILE 47 126 THR 48 128 LEU 49 129 ARG 50 130 PHE 51 131 ARG 52 132 GLY 53 133 ARG 54 134 GLU 55 135 MET 56 136 ALA 57 137 HIS 58 138 GLN 59 139 GLN 60 140 ILE 61 141 GLY 62 142 MET 63 143 GLU 64 144 VAL 65 145 LEU 66 146 ASN 67 147 ARG 68 148 VAL 69 149 LYS 70 150 ASP 71 151 ASP 72 152 LEU 73 153 GLN 74 154 GLU 75 155 LEU 76 156 ALA 77 157 VAL 78 158 VAL 79 159 GLU 80 160 SER 81 161 PHE 82 162 PRO 83 163 THR 84 164 LYS 85 165 ILE 86 166 GLU 87 167 GLY 88 168 ARG 89 169 GLN 90 170 MET 91 171 ILE 92 172 MET 93 173 VAL 94 174 LEU 95 175 ALA 96 176 PRO 97 177 LYS 98 178 LYS 99 179 LYS 100 180 GLN 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 2IFE "A Chain A, Translation Initiation Factor If3From Escherichia Coli Ribosome Binding Domain (Residues84-180)" 100.00 100 100 100 7e-50 DBJ BAA15485.1 "Initiation factor IF-3. [Escherichiacoli]" 55.56 180 100 100 5e-48 DBJ BAA15497.1 "Initiation factor IF-3. [Escherichiacoli]" 55.56 180 100 100 5e-48 DBJ BAB35848.1 "protein chain initiation factor IF-3[Escherichia coli O157:H7]" 55.56 180 100 100 5e-48 EMBL CAA23561.1 "unnamed protein product [Escherichia coli]" 55.56 180 100 100 5e-48 EMBL CAD02019.1 "translation initiation factor IF-3[Salmonella enterica subsp. enterica serovar Typhi]" 55.56 180 99 100 2e-47 GenBank AAG56705.1 "Initiation factor IF-3 [Escherichia coliO157:H7 EDL933]" 69.44 144 100 100 5e-48 GenBank AAL20259.1 "protein chain initiation factor IF-3[Salmonella typhimurium LT2]" 69.44 144 100 100 5e-48 GenBank AAN80574.1 "Translation initiation factor IF-3[Escherichia coli CFT073]" 69.44 144 100 100 5e-48 GenBank AAC36814.1 "translation intitiation factor IF3" 55.56 180 100 100 5e-48 GenBank AAC74788.1 "protein chain initiation factor IF-3[Escherichia coli K12]" 55.56 180 100 100 5e-48 PIR E85780 "Initiation factor IF-3 [imported] -Escherichia coli (strain O157:H7, substrain EDL933)" 69.44 144 100 100 5e-48 PIR A90932 "protein chain initiation factor IF-3[imported] - Escherichia coli (strain O157:H7, substrainRIMD 0509952)" 55.56 180 100 100 5e-48 PIR FIEC3 "translation initiation factor IF-3 -Escherichia coli (strain K-12)" 55.56 180 100 100 5e-48 PIR AB0706 "translation initiation factor IF-3[imported] - Salmonella enterica subsp. enterica serovarTyphi (strain CT18)" 55.56 180 99 100 2e-47 REF NP_288152.1 "Initiation factor IF-3 [Escherichiacoli O157:H7 EDL933]" 69.44 144 100 100 5e-48 REF NP_754009.1 "Translation initiation factor IF-3[Escherichia coli CFT073]" 69.44 144 100 100 5e-48 REF NP_310452.1 "protein chain initiation factor IF-3[Escherichia coli O157:H7]" 55.56 180 100 100 5e-48 REF NP_416233.1 "protein chain initiation factor IF-3[Escherichia coli K12]" 55.56 180 100 100 5e-48 REF NP_460300.2 "protein chain initiation factor IF-3[Salmonella typhimurium LT2]" 55.56 180 100 100 5e-48 SWISS-PROT P02999 "IF3_ECOLI Translation initiation factor IF-3" 55.56 180 100 100 5e-48 SWISS-PROT P33321 "IF3_SALTY Translation initiation factor IF-3" 55.56 180 100 100 5e-48 SWISS-PROT Q8Z6I3 "IF3_SALTI Translation initiation factor IF-3" 55.56 180 99 100 2e-47 SWISS-PROT Q83L38 "IF3_SHIFL Translation initiation factor IF-3" 48.54 206 99 99 2e-47 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Plasmid _Gene_mnemonic $IF3 "E. coli" 562 Eubacteria . ESCHERICHIA COLI JM83 PTRCINFCC "INFC CODONS 84-180" 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 $IF3 'recombinant technology' "ESCHERICHIA COLI" ESCHERICHIA COLI JM83 plasmid pTRC99a 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 $IF3 1.5 mM "[U-98% 13C; U-95% 15N]" "potassium phosphate" 20 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IF3 1.5 mM "[U-98% 15N]" "potassium phosphate" 20 mM . stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Saveframe_category software _Name GIFA _Version 4.0 loop_ _Task "NMR data processing and graphic display" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Details ; 3D 1H-13C-1H HCCH-TOCSY 3D HNCA 3D HNHB 3D 1H-1H-15N NOESY 3D 13C-1H-1H NOESY ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.5 0.2 n/a temperature 303 0.5 K ionic_strength 20 . mM pressure 1 . atm 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 TSP H 1 'methyl protons' ppm 0.00 internal direct . internal . . 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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "IF3 ribosome binding domain" 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 9 LYS H H 8.56 0.01 1 2 9 LYS HA H 4.57 0.01 1 3 9 LYS HB2 H 2.07 0.01 2 4 9 LYS HB3 H 1.99 0.01 2 5 9 LYS HG2 H 1.77 0.01 1 6 9 LYS HG3 H 1.77 0.01 1 7 9 LYS HD2 H 2.08 0.01 2 8 9 LYS HD3 H 2.16 0.01 2 9 9 LYS HE2 H 2.52 0.01 1 10 9 LYS HE3 H 2.52 0.01 1 11 9 LYS CA C 56.25 0.30 1 12 9 LYS CB C 33.15 0.30 1 13 9 LYS CG C 27.35 0.30 1 14 9 LYS CD C 30.75 0.30 1 15 9 LYS N N 123.45 0.10 1 16 10 VAL H H 8.47 0.01 1 17 10 VAL HA H 4.29 0.01 1 18 10 VAL HB H 2.14 0.01 1 19 10 VAL HG1 H 1.12 0.01 2 20 10 VAL HG2 H 1.07 0.01 2 21 10 VAL CA C 62.05 0.30 1 22 10 VAL CB C 32.85 0.30 1 23 10 VAL CG1 C 21.15 0.30 1 24 10 VAL CG2 C 21.15 0.30 1 25 10 VAL N N 123.45 0.10 1 26 11 ILE H H 8.50 0.01 1 27 11 ILE HA H 4.30 0.01 1 28 11 ILE HB H 2.02 0.01 1 29 11 ILE HG12 H 1.79 0.01 2 30 11 ILE HG13 H 1.45 0.01 2 31 11 ILE HG2 H 1.16 0.01 1 32 11 ILE HD1 H 1.06 0.01 1 33 11 ILE CA C 61.35 0.30 1 34 11 ILE CB C 42.15 0.30 1 35 11 ILE CG1 C 28.05 0.30 1 36 11 ILE CG2 C 17.35 0.30 1 37 11 ILE CD1 C 13.25 0.30 1 38 11 ILE N N 126.75 0.10 1 39 12 GLN H H 8.92 0.01 1 40 12 GLN HA H 4.60 0.01 1 41 12 GLN HB2 H 1.96 0.01 1 42 12 GLN HB3 H 2.12 0.01 1 43 12 GLN HG2 H 2.45 0.01 2 44 12 GLN HG3 H 2.41 0.01 2 45 12 GLN HE21 H 7.05 0.01 2 46 12 GLN HE22 H 7.76 0.01 2 47 12 GLN CA C 54.75 0.30 1 48 12 GLN CB C 31.15 0.30 1 49 12 GLN CG C 34.25 0.30 1 51 12 GLN NE2 N 110.60 0.10 1 52 13 VAL H H 8.39 0.01 1 53 13 VAL HA H 4.34 0.01 1 54 13 VAL HB H 2.04 0.01 1 55 13 VAL HG1 H 1.02 0.01 1 56 13 VAL HG2 H 0.90 0.01 1 57 13 VAL CA C 61.35 0.30 1 59 13 VAL CG1 C 20.85 0.30 1 60 13 VAL CG2 C 22.15 0.30 1 61 13 VAL N N 120.35 0.10 1 62 14 LYS H H 8.56 0.01 1 63 14 LYS HA H 4.42 0.01 1 64 14 LYS HB2 H 1.20 0.01 1 65 14 LYS HB3 H 0.80 0.01 1 66 14 LYS HG2 H 0.94 0.01 1 67 14 LYS HG3 H 0.94 0.01 1 68 14 LYS HD2 H 1.29 0.01 2 69 14 LYS HD3 H 1.08 0.01 2 70 14 LYS HE2 H 2.75 0.01 1 71 14 LYS HE3 H 2.75 0.01 1 72 14 LYS CA C 54.15 0.30 1 74 14 LYS CG C 24.25 0.30 1 75 14 LYS CD C 27.65 0.30 1 76 14 LYS CE C 41.75 0.30 1 77 14 LYS N N 127.75 0.10 1 78 15 GLU H H 8.47 0.01 1 79 15 GLU HA H 5.66 0.01 1 80 15 GLU HB2 H 1.98 0.01 1 81 15 GLU HB3 H 2.15 0.01 1 82 15 GLU HG2 H 2.35 0.01 1 83 15 GLU HG3 H 2.35 0.01 1 84 15 GLU CA C 55.15 0.30 1 85 15 GLU CB C 33.15 0.30 1 86 15 GLU CG C 36.95 0.30 1 87 15 GLU N N 120.95 0.10 1 88 16 ILE H H 8.87 0.01 1 89 16 ILE HA H 4.63 0.01 1 90 16 ILE HB H 2.00 0.01 1 91 16 ILE HG12 H 1.67 0.01 2 92 16 ILE HG13 H 1.49 0.01 2 93 16 ILE HG2 H 0.97 0.01 1 94 16 ILE HD1 H 1.05 0.01 1 95 16 ILE CA C 59.35 0.30 1 96 16 ILE CB C 41.45 0.30 1 97 16 ILE CG1 C 27.65 0.30 1 98 16 ILE CG2 C 18.05 0.30 1 99 16 ILE CD1 C 13.25 0.30 1 100 16 ILE N N 123.85 0.10 1 101 17 LYS H H 8.61 0.01 1 102 17 LYS HA H 5.57 0.01 1 103 17 LYS HB2 H 1.86 0.01 2 104 17 LYS HB3 H 1.81 0.01 2 105 17 LYS HG2 H 1.48 0.01 1 106 17 LYS HG3 H 1.48 0.01 1 107 17 LYS HD2 H 1.58 0.01 1 108 17 LYS HD3 H 1.58 0.01 1 109 17 LYS HE2 H 3.06 0.01 1 110 17 LYS HE3 H 3.06 0.01 1 111 17 LYS CA C 54.85 0.30 1 113 17 LYS CG C 25.25 0.30 1 114 17 LYS CD C 25.25 0.30 1 115 17 LYS CE C 41.75 0.30 1 116 17 LYS N N 124.95 0.10 1 117 18 PHE H H 9.15 0.01 1 118 18 PHE HA H 4.99 0.01 1 119 18 PHE HB2 H 2.77 0.01 1 120 18 PHE HB3 H 3.15 0.01 1 121 18 PHE HD1 H 7.34 0.01 1 122 18 PHE HD2 H 7.34 0.01 1 123 18 PHE HE1 H 7.25 0.01 1 124 18 PHE HE2 H 7.25 0.01 1 125 18 PHE HZ H 6.99 0.01 1 126 18 PHE CA C 56.95 0.30 1 127 18 PHE CB C 43.85 0.30 1 128 18 PHE N N 120.95 0.10 1 129 19 ARG H H 8.83 0.01 1 130 19 ARG HA H 5.17 0.01 1 131 19 ARG HB2 H 1.81 0.01 1 132 19 ARG HB3 H 1.81 0.01 1 133 19 ARG HG2 H 2.09 0.01 1 134 19 ARG HG3 H 2.09 0.01 1 135 19 ARG HD2 H 3.39 0.01 1 136 19 ARG HD3 H 3.39 0.01 1 137 19 ARG CA C 52.75 0.30 1 138 19 ARG CB C 27.35 0.30 1 139 19 ARG CG C 31.15 0.30 1 140 19 ARG CD C 43.15 0.30 1 141 19 ARG N N 119.95 0.10 1 142 20 PRO HA H 4.50 0.01 1 143 20 PRO HB2 H 2.27 0.01 2 144 20 PRO HB3 H 2.18 0.01 2 145 20 PRO HG2 H 1.68 0.01 1 146 20 PRO HG3 H 1.68 0.01 1 147 20 PRO HD2 H 3.81 0.01 2 148 20 PRO HD3 H 3.78 0.01 2 149 20 PRO CA C 63.75 0.30 1 150 20 PRO CB C 28.05 0.30 1 151 20 PRO CG C 28.05 0.30 1 152 20 PRO CD C 50.35 0.30 1 153 21 GLY H H 8.79 0.01 1 154 21 GLY HA2 H 4.20 0.01 2 155 21 GLY HA3 H 4.06 0.01 2 156 21 GLY CA C 45.55 0.30 1 157 21 GLY N N 107.85 0.10 1 158 22 THR H H 7.91 0.01 1 159 22 THR HA H 4.50 0.01 1 160 22 THR HG2 H 1.52 0.01 1 161 22 THR CA C 63.05 0.30 1 162 22 THR CG2 C 21.15 0.30 1 163 22 THR N N 114.75 0.10 1 164 23 ASP H H 8.82 0.01 1 165 23 ASP HA H 4.89 0.01 1 166 23 ASP HB2 H 2.96 0.01 1 167 23 ASP HB3 H 2.96 0.01 1 168 23 ASP CA C 53.85 0.30 1 169 23 ASP CB C 42.15 0.30 1 170 23 ASP N N 124.55 0.10 1 171 24 GLU H H 8.89 0.01 1 172 24 GLU HA H 4.47 0.01 1 173 24 GLU HB2 H 2.30 0.01 2 174 24 GLU HB3 H 2.14 0.01 2 175 24 GLU HG2 H 2.62 0.01 1 176 24 GLU HG3 H 2.62 0.01 1 177 24 GLU CA C 58.95 0.30 1 179 24 GLU CG C 39.05 0.30 1 180 24 GLU N N 122.45 0.10 1 181 25 GLY H H 8.75 0.01 1 182 25 GLY HA2 H 4.15 0.01 2 183 25 GLY HA3 H 4.12 0.01 2 184 25 GLY CA C 45.55 0.30 1 185 25 GLY N N 106.65 0.10 1 186 26 ASP H H 8.09 0.01 1 187 26 ASP HA H 4.74 0.01 1 188 26 ASP HB2 H 2.92 0.01 1 189 26 ASP HB3 H 2.92 0.01 1 190 26 ASP CA C 56.25 0.30 1 191 26 ASP CB C 41.75 0.30 1 192 26 ASP N N 121.65 0.10 1 193 27 TYR H H 8.62 0.01 1 194 27 TYR HA H 4.07 0.01 1 195 27 TYR HB2 H 3.31 0.01 1 196 27 TYR HB3 H 3.43 0.01 1 197 27 TYR HD1 H 7.08 0.01 1 198 27 TYR HD2 H 7.08 0.01 1 199 27 TYR HE1 H 6.79 0.01 1 200 27 TYR HE2 H 6.79 0.01 1 201 27 TYR CA C 63.05 0.30 1 202 27 TYR CB C 38.65 0.30 1 203 27 TYR N N 119.95 0.10 1 204 28 GLN H H 8.55 0.01 1 205 28 GLN HA H 4.03 0.01 1 206 28 GLN HB2 H 2.40 0.01 1 207 28 GLN HB3 H 2.34 0.01 1 208 28 GLN HG2 H 2.97 0.01 2 209 28 GLN HG3 H 2.81 0.01 2 210 28 GLN HE21 H 7.35 0.01 2 211 28 GLN HE22 H 7.99 0.01 2 212 28 GLN CA C 58.65 0.30 1 213 28 GLN CB C 28.05 0.30 1 214 28 GLN CG C 33.15 0.30 1 215 28 GLN N N 114.45 0.10 1 216 28 GLN NE2 N 111.00 0.10 1 217 29 VAL H H 7.78 0.01 1 218 29 VAL HA H 3.81 0.01 1 219 29 VAL HB H 2.39 0.01 1 220 29 VAL HG1 H 1.26 0.01 1 221 29 VAL HG2 H 1.10 0.01 1 222 29 VAL CA C 66.55 0.30 1 223 29 VAL CB C 32.15 0.30 1 224 29 VAL CG1 C 22.55 0.30 1 225 29 VAL CG2 C 21.15 0.30 1 226 29 VAL N N 119.35 0.10 1 227 30 LYS H H 8.05 0.01 1 228 30 LYS HA H 3.99 0.01 1 229 30 LYS HB2 H 1.35 0.01 1 230 30 LYS HB3 H 1.84 0.01 1 231 30 LYS HG2 H 1.52 0.01 2 232 30 LYS HG3 H 1.35 0.01 2 233 30 LYS HD2 H 1.27 0.01 2 234 30 LYS HD3 H 1.06 0.01 2 235 30 LYS HE2 H 3.04 0.01 1 236 30 LYS HE3 H 3.04 0.01 1 237 30 LYS CA C 59.65 0.30 1 238 30 LYS CB C 32.55 0.30 1 239 30 LYS CG C 26.65 0.30 1 240 30 LYS CD C 28.35 0.30 1 241 30 LYS CE C 42.15 0.30 1 242 30 LYS N N 121.25 0.10 1 243 31 LEU H H 9.00 0.01 1 244 31 LEU HA H 4.00 0.01 1 245 31 LEU HB2 H 1.85 0.01 2 246 31 LEU HB3 H 1.34 0.01 2 247 31 LEU HD1 H 1.12 0.01 2 248 31 LEU HD2 H 1.07 0.01 2 249 31 LEU CA C 58.65 0.30 1 250 31 LEU CB C 41.45 0.30 1 251 31 LEU CD1 C 24.95 0.30 2 252 31 LEU CD2 C 23.55 0.30 2 253 31 LEU N N 120.65 0.10 1 254 32 ARG H H 7.98 0.01 1 255 32 ARG HA H 4.03 0.01 1 256 32 ARG HB2 H 2.13 0.01 2 257 32 ARG HB3 H 2.05 0.01 2 258 32 ARG HG2 H 1.84 0.01 1 259 32 ARG HG3 H 1.84 0.01 1 260 32 ARG HD2 H 3.34 0.01 1 261 32 ARG HD3 H 3.34 0.01 1 262 32 ARG CA C 60.05 0.30 1 263 32 ARG N N 115.45 0.10 1 264 33 SER H H 7.66 0.01 1 265 33 SER HA H 4.05 0.01 1 266 33 SER HB2 H 3.62 0.01 1 267 33 SER HB3 H 3.62 0.01 1 268 33 SER CA C 62.45 0.30 1 270 33 SER N N 115.65 0.10 1 271 34 LEU H H 7.91 0.01 1 272 34 LEU HA H 3.85 0.01 1 273 34 LEU HB2 H 2.20 0.01 2 274 34 LEU HB3 H 1.55 0.01 2 275 34 LEU HG H 1.87 0.01 1 276 34 LEU HD1 H 1.01 0.01 1 277 34 LEU HD2 H 1.01 0.01 1 278 34 LEU CA C 58.25 0.30 1 279 34 LEU CB C 42.45 0.30 1 280 34 LEU CG C 26.65 0.30 1 281 34 LEU CD1 C 25.95 0.30 1 282 34 LEU CD2 C 25.95 0.30 1 283 34 LEU N N 120.65 0.10 1 284 35 ILE H H 8.53 0.01 1 285 35 ILE HA H 3.54 0.01 1 286 35 ILE HB H 2.19 0.01 1 287 35 ILE HG12 H 1.96 0.01 2 288 35 ILE HG13 H 1.87 0.01 2 289 35 ILE HG2 H 0.97 0.01 1 290 35 ILE HD1 H 0.95 0.01 1 291 35 ILE CA C 66.15 0.30 1 293 35 ILE CG1 C 31.15 0.30 1 294 35 ILE CG2 C 16.65 0.30 1 295 35 ILE CD1 C 13.95 0.30 1 296 35 ILE N N 117.35 0.10 1 297 36 ARG H H 7.38 0.01 1 298 36 ARG HA H 4.28 0.01 1 299 36 ARG HB2 H 2.05 0.01 2 300 36 ARG HB3 H 1.96 0.01 2 301 36 ARG HG2 H 1.86 0.01 2 302 36 ARG HG3 H 1.77 0.01 2 303 36 ARG HD2 H 3.37 0.01 1 304 36 ARG HD3 H 3.37 0.01 1 305 36 ARG CA C 59.35 0.30 1 306 36 ARG CB C 29.05 0.30 1 307 36 ARG CG C 27.35 0.30 1 308 36 ARG N N 117.55 0.10 1 309 37 PHE H H 8.13 0.01 1 310 37 PHE HA H 5.07 0.01 1 311 37 PHE HB2 H 3.38 0.01 1 312 37 PHE HB3 H 3.24 0.01 1 313 37 PHE HD1 H 7.30 0.01 1 314 37 PHE HD2 H 7.30 0.01 1 315 37 PHE HE1 H 7.37 0.01 3 316 37 PHE HE2 H 7.30 0.01 3 317 37 PHE CA C 57.55 0.30 1 318 37 PHE CB C 37.65 0.30 1 319 37 PHE N N 116.65 0.10 1 320 38 LEU H H 8.26 0.01 1 321 38 LEU HA H 4.79 0.01 1 322 38 LEU HB2 H 1.71 0.01 2 323 38 LEU HB3 H 1.56 0.01 2 324 38 LEU HG H 2.05 0.01 1 325 38 LEU HD1 H 1.05 0.01 2 326 38 LEU HD2 H 0.99 0.01 2 327 38 LEU CA C 57.55 0.30 1 328 38 LEU CB C 43.85 0.30 1 329 38 LEU CG C 27.65 0.30 2 330 38 LEU CD1 C 22.55 0.30 2 331 38 LEU CD2 C 28.05 0.30 2 332 38 LEU N N 117.95 0.10 1 333 39 GLU H H 9.24 0.01 1 334 39 GLU HA H 4.26 0.01 1 335 39 GLU HB2 H 2.53 0.01 2 336 39 GLU HB3 H 2.21 0.01 2 337 39 GLU HG2 H 2.78 0.01 2 338 39 GLU HG3 H 2.43 0.01 2 339 39 GLU CA C 59.65 0.30 1 340 39 GLU CB C 29.75 0.30 1 341 39 GLU CG C 37.65 0.30 1 342 39 GLU N N 121.45 0.10 1 343 40 GLU H H 8.05 0.01 1 344 40 GLU HA H 4.45 0.01 1 345 40 GLU HB2 H 2.45 0.01 4 346 40 GLU HB3 H 2.45 0.01 4 347 40 GLU HG2 H 2.55 0.01 4 348 40 GLU HG3 H 2.55 0.01 4 349 40 GLU CA C 56.95 0.30 1 350 40 GLU CB C 36.65 0.30 4 351 40 GLU CG C 36.65 0.30 4 352 40 GLU N N 116.55 0.10 1 353 41 GLY H H 8.10 0.01 1 354 41 GLY HA2 H 4.47 0.01 2 355 41 GLY HA3 H 3.77 0.01 2 356 41 GLY CA C 45.55 0.30 1 357 41 GLY N N 106.65 0.10 1 358 42 ASP H H 8.21 0.01 1 359 42 ASP HA H 5.24 0.01 1 360 42 ASP HB2 H 2.53 0.01 1 361 42 ASP HB3 H 2.92 0.01 1 362 42 ASP CA C 54.15 0.30 1 363 42 ASP CB C 42.45 0.30 1 364 42 ASP N N 121.35 0.10 1 365 43 LYS H H 8.00 0.01 1 366 43 LYS HA H 4.79 0.01 1 367 43 LYS HB2 H 2.19 0.01 2 368 43 LYS HB3 H 1.97 0.01 2 369 43 LYS HG2 H 1.84 0.01 4 370 43 LYS HG3 H 1.84 0.01 4 371 43 LYS HD2 H 1.76 0.01 4 372 43 LYS HD3 H 1.76 0.01 4 374 43 LYS N N 111.95 0.10 1 375 44 ALA H H 8.83 0.01 1 376 44 ALA HA H 5.47 0.01 1 377 44 ALA HB H 1.39 0.01 1 378 44 ALA CA C 50.05 0.30 1 380 44 ALA N N 120.35 0.10 1 381 45 LYS H H 9.32 0.01 1 382 45 LYS HA H 5.08 0.01 1 383 45 LYS HB2 H 1.73 0.01 1 384 45 LYS HB3 H 1.73 0.01 1 385 45 LYS HG2 H 1.31 0.01 1 386 45 LYS HG3 H 1.31 0.01 1 387 45 LYS HD2 H 1.60 0.01 1 388 45 LYS HD3 H 1.60 0.01 1 389 45 LYS HE2 H 2.95 0.01 1 390 45 LYS HE3 H 2.95 0.01 1 393 45 LYS CG C 24.95 0.30 1 394 45 LYS CD C 27.65 0.30 1 395 45 LYS CE C 41.45 0.30 1 396 45 LYS N N 124.05 0.10 1 397 46 ILE H H 9.65 0.01 1 398 46 ILE HA H 5.10 0.01 1 399 46 ILE HB H 2.06 0.01 1 400 46 ILE HG12 H 1.61 0.01 2 401 46 ILE HG13 H 1.33 0.01 2 402 46 ILE HG2 H 0.94 0.01 1 403 46 ILE HD1 H 0.99 0.01 1 406 46 ILE CG1 C 29.75 0.30 1 407 46 ILE CG2 C 19.75 0.30 1 408 46 ILE CD1 C 16.05 0.30 1 409 46 ILE N N 128.25 0.10 1 410 47 THR H H 8.72 0.01 1 411 47 THR HA H 5.08 0.01 1 412 47 THR HB H 4.12 0.01 1 413 47 THR HG2 H 1.20 0.01 1 416 47 THR CG2 C 22.55 0.30 1 418 48 LEU H H 9.28 0.01 1 419 48 LEU HA H 5.16 0.01 1 420 48 LEU HB2 H 1.70 0.01 1 421 48 LEU HB3 H 1.56 0.01 1 422 48 LEU HG H 1.87 0.01 1 423 48 LEU HD1 H 0.78 0.01 1 424 48 LEU HD2 H 0.78 0.01 1 425 48 LEU CA C 53.45 0.30 1 426 48 LEU CB C 44.15 0.30 1 427 48 LEU CG C 27.65 0.30 1 428 48 LEU CD1 C 25.65 0.30 1 429 48 LEU CD2 C 25.65 0.30 1 430 48 LEU N N 127.95 0.10 1 431 49 ARG H H 8.35 0.01 1 432 49 ARG HA H 5.15 0.01 1 433 49 ARG HB2 H 2.00 0.01 2 434 49 ARG HB3 H 1.80 0.01 2 435 49 ARG HD2 H 3.40 0.01 2 436 49 ARG HD3 H 3.35 0.01 2 437 49 ARG CA C 54.55 0.30 1 438 49 ARG CB C 32.55 0.30 1 439 49 ARG N N 123.65 0.10 1 440 50 PHE H H 8.68 0.01 1 441 50 PHE HA H 4.84 0.01 1 442 50 PHE HB2 H 3.33 0.01 2 443 50 PHE HB3 H 3.19 0.01 2 444 50 PHE HD1 H 7.30 0.01 1 445 50 PHE HD2 H 7.30 0.01 1 446 50 PHE HE1 H 7.46 0.01 1 447 50 PHE HE2 H 7.46 0.01 1 451 51 ARG H H 9.33 0.01 1 452 51 ARG HA H 4.69 0.01 1 453 51 ARG N N 121.15 0.10 1 454 52 GLY H H 8.99 0.01 1 455 52 GLY HA2 H 4.19 0.01 2 456 52 GLY HA3 H 4.04 0.01 2 457 52 GLY CA C 46.25 0.30 1 458 52 GLY N N 110.15 0.10 1 459 53 ARG H H 8.39 0.01 1 460 53 ARG HA H 4.43 0.01 1 461 53 ARG N N 119.45 0.10 1 462 54 GLU H H 8.32 0.01 1 463 54 GLU HA H 4.23 0.01 1 464 54 GLU N N 119.35 0.10 1 465 56 ALA H H 8.23 0.01 1 466 56 ALA HA H 4.15 0.01 1 467 56 ALA HB H 1.31 0.01 1 468 56 ALA CA C 53.15 0.30 1 469 56 ALA CB C 18.45 0.30 1 470 56 ALA N N 121.05 0.10 1 471 57 HIS H H 7.55 0.01 1 472 57 HIS HA H 4.83 0.01 1 473 57 HIS HB2 H 3.15 0.01 1 474 57 HIS HB3 H 3.15 0.01 1 475 57 HIS HD2 H 7.15 0.01 1 476 57 HIS HE1 H 8.01 0.01 1 477 57 HIS CA C 55.85 0.30 1 479 57 HIS N N 117.05 0.10 1 480 59 GLN H H 8.94 0.01 1 481 59 GLN HA H 4.26 0.01 1 482 59 GLN HB2 H 2.28 0.01 1 483 59 GLN HB3 H 2.36 0.01 1 484 59 GLN HG2 H 2.61 0.01 1 485 59 GLN HG3 H 2.61 0.01 1 486 59 GLN CA C 58.65 0.30 1 488 59 GLN CG C 33.55 0.30 1 489 59 GLN N N 118.25 0.10 1 490 60 ILE H H 7.83 0.01 1 491 60 ILE HA H 4.20 0.01 1 492 60 ILE HB H 2.22 0.01 1 493 60 ILE HG12 H 1.80 0.01 2 494 60 ILE HG13 H 1.51 0.01 2 495 60 ILE HG2 H 1.20 0.01 1 496 60 ILE HD1 H 1.07 0.01 1 497 60 ILE CA C 63.75 0.30 1 498 60 ILE CB C 37.65 0.30 1 499 60 ILE CG1 C 28.35 0.30 1 500 60 ILE CG2 C 17.75 0.30 1 501 60 ILE CD1 C 12.95 0.30 1 502 60 ILE N N 118.25 0.10 1 503 61 GLY H H 8.31 0.01 1 504 61 GLY HA2 H 4.09 0.01 2 505 61 GLY HA3 H 4.00 0.01 2 506 61 GLY CA C 47.65 0.30 1 507 61 GLY N N 106.15 0.10 1 508 62 MET H H 8.40 0.01 1 509 62 MET HA H 4.38 0.01 1 510 62 MET HB2 H 2.43 0.01 2 511 62 MET HB3 H 2.33 0.01 2 512 62 MET HG2 H 2.91 0.01 2 513 62 MET HG3 H 2.81 0.01 2 514 62 MET CA C 57.95 0.30 1 515 62 MET CB C 31.85 0.30 1 516 62 MET CG C 32.85 0.30 1 517 62 MET N N 118.75 0.10 1 518 63 GLU H H 8.17 0.01 1 519 63 GLU HA H 4.30 0.01 1 520 63 GLU HB2 H 2.42 0.01 1 521 63 GLU HB3 H 2.31 0.01 1 522 63 GLU HG2 H 2.66 0.01 2 523 63 GLU HG3 H 2.45 0.01 2 524 63 GLU CA C 60.05 0.30 1 525 63 GLU CB C 29.05 0.30 1 526 63 GLU CG C 36.65 0.30 1 527 63 GLU N N 118.15 0.10 1 528 64 VAL H H 7.89 0.01 1 529 64 VAL HA H 3.88 0.01 1 530 64 VAL HB H 2.32 0.01 1 531 64 VAL HG1 H 1.30 0.01 1 532 64 VAL HG2 H 0.87 0.01 1 533 64 VAL CA C 66.55 0.30 1 534 64 VAL CB C 31.85 0.30 1 535 64 VAL CG1 C 22.85 0.30 1 536 64 VAL CG2 C 20.85 0.30 1 537 64 VAL N N 119.35 0.10 1 538 65 LEU H H 7.85 0.01 1 539 65 LEU HA H 4.01 0.01 1 540 65 LEU HB2 H 2.01 0.01 1 541 65 LEU HB3 H 2.01 0.01 1 542 65 LEU HD1 H 0.80 0.01 2 543 65 LEU HD2 H 0.79 0.01 2 544 65 LEU CA C 57.95 0.30 1 545 65 LEU CD1 C 22.55 0.30 1 546 65 LEU CD2 C 26.65 0.30 1 547 65 LEU N N 116.95 0.10 1 548 66 ASN H H 8.68 0.01 1 549 66 ASN HA H 4.67 0.01 1 550 66 ASN HB2 H 2.91 0.01 1 551 66 ASN HB3 H 3.04 0.01 1 552 66 ASN HD21 H 7.54 0.01 2 553 66 ASN HD22 H 6.95 0.01 2 554 66 ASN CA C 56.25 0.30 1 555 66 ASN CB C 38.35 0.30 1 556 66 ASN N N 115.75 0.10 1 557 66 ASN ND2 N 108.70 0.10 1 558 67 ARG H H 7.93 0.01 1 559 67 ARG HA H 4.23 0.01 1 560 67 ARG HB2 H 2.07 0.01 1 561 67 ARG HB3 H 2.18 0.01 1 562 67 ARG HG2 H 1.89 0.01 2 563 67 ARG HG3 H 1.81 0.01 2 564 67 ARG HD2 H 2.62 0.01 2 565 67 ARG HD3 H 2.98 0.01 2 566 67 ARG HE H 7.10 0.01 1 567 67 ARG CA C 59.65 0.30 1 568 67 ARG N N 120.75 0.10 1 569 67 ARG NE N 83.10 0.20 1 570 68 VAL H H 8.27 0.01 1 571 68 VAL HA H 3.89 0.01 1 572 68 VAL HB H 2.21 0.01 1 573 68 VAL HG1 H 1.06 0.01 1 574 68 VAL HG2 H 0.86 0.01 1 575 68 VAL CA C 66.85 0.30 1 576 68 VAL CB C 31.85 0.30 1 577 68 VAL CG1 C 23.55 0.30 1 578 68 VAL CG2 C 22.85 0.30 1 579 68 VAL N N 118.65 0.10 1 580 69 LYS H H 8.10 0.01 1 581 69 LYS HA H 3.94 0.01 1 582 69 LYS HB2 H 2.02 0.01 1 583 69 LYS HB3 H 2.14 0.01 1 584 69 LYS HG2 H 1.80 0.01 1 585 69 LYS HG3 H 1.80 0.01 1 586 69 LYS HD2 H 1.70 0.01 1 587 69 LYS HD3 H 1.70 0.01 1 588 69 LYS HE2 H 3.16 0.01 2 589 69 LYS HE3 H 3.08 0.01 2 590 69 LYS CA C 59.65 0.30 1 591 69 LYS CB C 31.45 0.30 1 592 69 LYS CG C 20.45 0.30 1 593 69 LYS CD C 23.95 0.30 1 594 69 LYS CE C 36.65 0.30 1 595 69 LYS N N 116.05 0.10 1 596 70 ASP H H 8.26 0.01 1 597 70 ASP HA H 4.66 0.01 1 598 70 ASP HB2 H 2.86 0.01 1 599 70 ASP HB3 H 3.02 0.01 1 600 70 ASP CA C 57.25 0.30 1 601 70 ASP CB C 40.05 0.30 1 602 70 ASP N N 120.05 0.10 1 603 71 ASP H H 9.22 0.01 1 604 71 ASP HA H 4.79 0.01 1 605 71 ASP HB2 H 2.81 0.01 1 606 71 ASP HB3 H 3.12 0.01 1 607 71 ASP CA C 57.25 0.30 1 608 71 ASP CB C 40.75 0.30 1 609 71 ASP N N 121.85 0.10 1 610 72 LEU H H 7.87 0.01 1 611 72 LEU HA H 4.88 0.01 1 612 72 LEU HB2 H 1.78 0.01 1 613 72 LEU HB3 H 1.84 0.01 1 614 72 LEU HD1 H 0.95 0.01 2 615 72 LEU HD2 H 0.86 0.01 2 616 72 LEU CA C 53.45 0.30 1 617 72 LEU CB C 41.45 0.30 1 618 72 LEU CD1 C 23.95 0.30 2 619 72 LEU CD2 C 27.65 0.30 2 620 72 LEU N N 116.75 0.10 1 621 73 GLN H H 7.58 0.01 1 622 73 GLN HA H 4.50 0.01 1 623 73 GLN HB2 H 2.61 0.01 1 624 73 GLN HB3 H 2.50 0.01 1 625 73 GLN HG2 H 2.86 0.01 1 626 73 GLN HG3 H 2.86 0.01 1 627 73 GLN HE21 H 7.88 0.01 2 628 73 GLN HE22 H 7.03 0.01 2 629 73 GLN CA C 59.35 0.30 1 630 73 GLN CB C 28.75 0.30 1 631 73 GLN CG C 33.15 0.30 1 632 73 GLN N N 120.25 0.10 1 633 73 GLN NE2 N 109.60 0.10 1 634 74 GLU H H 8.92 0.01 1 635 74 GLU HA H 4.49 0.01 1 636 74 GLU HB2 H 2.10 0.01 1 637 74 GLU HB3 H 2.32 0.01 1 638 74 GLU HG2 H 2.54 0.01 2 639 74 GLU HG3 H 2.43 0.01 2 640 74 GLU CA C 57.95 0.30 1 641 74 GLU CB C 29.75 0.30 1 642 74 GLU CG C 29.75 0.30 1 644 75 LEU H H 7.80 0.01 1 645 75 LEU HA H 4.77 0.01 1 646 75 LEU HB2 H 1.94 0.01 2 647 75 LEU HB3 H 1.80 0.01 2 648 75 LEU HG H 2.01 0.01 1 649 75 LEU HD1 H 1.18 0.01 2 650 75 LEU HD2 H 1.15 0.01 2 651 75 LEU CA C 55.15 0.30 1 652 75 LEU CB C 46.25 0.30 1 653 75 LEU CG C 33.15 0.30 1 654 75 LEU CD1 C 25.95 0.30 2 655 75 LEU CD2 C 24.95 0.30 2 656 75 LEU N N 116.15 0.10 1 657 76 ALA H H 8.49 0.01 1 658 76 ALA HA H 5.57 0.01 1 659 76 ALA HB H 1.52 0.01 1 660 76 ALA CA C 51.05 0.30 1 662 76 ALA N N 121.75 0.10 1 663 77 VAL H H 9.32 0.01 1 664 77 VAL HA H 4.69 0.01 1 665 77 VAL HB H 2.21 0.01 1 666 77 VAL HG1 H 0.99 0.01 1 667 77 VAL HG2 H 1.07 0.01 1 668 77 VAL CA C 59.35 0.01 1 669 77 VAL CB C 34.25 0.01 1 670 77 VAL CG1 C 20.15 0.01 1 671 77 VAL CG2 C 21.85 0.01 1 672 77 VAL N N 114.95 0.10 1 673 78 VAL H H 8.92 0.01 1 674 78 VAL HA H 4.30 0.01 1 675 78 VAL HB H 2.21 0.01 1 676 78 VAL HG1 H 1.14 0.01 1 677 78 VAL HG2 H 1.09 0.01 1 678 78 VAL CA C 62.75 0.30 1 679 78 VAL CB C 31.45 0.30 1 680 78 VAL CG1 C 21.15 0.30 1 681 78 VAL CG2 C 17.75 0.30 1 682 78 VAL N N 123.15 0.10 1 683 79 GLU H H 9.16 0.01 1 684 79 GLU HA H 4.55 0.01 1 685 79 GLU HB2 H 2.00 0.01 1 686 79 GLU HB3 H 2.00 0.01 1 687 79 GLU HG2 H 2.36 0.01 1 688 79 GLU HG3 H 2.36 0.01 1 689 79 GLU CA C 57.95 0.30 1 692 80 SER H H 7.88 0.01 1 693 80 SER HA H 4.86 0.01 1 694 80 SER HB2 H 3.91 0.01 2 695 80 SER HB3 H 3.86 0.01 2 698 80 SER N N 110.65 0.10 1 699 81 PHE H H 9.04 0.01 1 700 81 PHE HA H 5.10 0.01 1 701 81 PHE HB2 H 3.30 0.01 2 702 81 PHE HB3 H 3.09 0.01 2 703 81 PHE HD1 H 7.43 0.01 1 704 81 PHE HD2 H 7.43 0.01 1 705 81 PHE HE1 H 7.50 0.01 1 706 81 PHE HE2 H 7.50 0.01 1 707 81 PHE CA C 55.15 0.30 1 708 81 PHE CB C 42.15 0.30 1 709 81 PHE N N 128.05 0.10 1 710 82 PRO HA H 4.23 0.01 1 711 82 PRO HB2 H 1.71 0.01 2 712 82 PRO HB3 H 1.84 0.01 2 713 82 PRO HD2 H 3.64 0.01 2 714 82 PRO HD3 H 2.48 0.01 2 715 82 PRO CA C 56.55 0.30 1 716 82 PRO CB C 29.75 0.30 1 717 82 PRO CD C 49.65 0.30 1 718 83 THR H H 8.68 0.01 1 719 83 THR HA H 4.57 0.01 1 720 83 THR HB H 4.56 0.01 1 721 83 THR HG2 H 1.43 0.01 1 722 83 THR CA C 61.75 0.30 1 723 83 THR CB C 70.65 0.30 1 724 83 THR CG2 C 21.85 0.30 1 725 83 THR N N 108.85 0.10 1 726 84 LYS H H 7.83 0.01 1 727 84 LYS HA H 4.76 0.01 1 728 84 LYS HB2 H 1.94 0.01 1 729 84 LYS HB3 H 1.94 0.01 1 730 84 LYS HG2 H 1.56 0.01 1 731 84 LYS HG3 H 1.56 0.01 1 732 84 LYS CA C 54.85 0.30 1 733 84 LYS N N 117.75 0.10 1 734 85 ILE H H 8.55 0.01 1 735 85 ILE HA H 4.27 0.01 1 736 85 ILE HB H 1.80 0.01 1 737 85 ILE HG12 H 1.66 0.01 1 738 85 ILE HG13 H 1.66 0.01 1 739 85 ILE HG2 H 0.89 0.01 1 740 85 ILE HD1 H 0.61 0.01 1 741 85 ILE CA C 61.75 0.30 1 742 85 ILE CB C 38.65 0.30 1 743 85 ILE CG1 C 28.75 0.30 1 744 85 ILE CG2 C 17.75 0.30 1 745 85 ILE CD1 C 13.95 0.30 1 746 85 ILE N N 121.35 0.10 1 747 86 GLU H H 8.73 0.01 1 748 86 GLU HA H 4.79 0.01 1 749 86 GLU HB2 H 2.12 0.01 1 750 86 GLU HB3 H 2.20 0.01 1 751 86 GLU HG2 H 2.35 0.01 1 752 86 GLU HG3 H 2.35 0.01 1 753 86 GLU CA C 55.15 0.30 1 754 86 GLU CB C 31.85 0.30 1 755 86 GLU CG C 36.25 0.30 1 756 86 GLU N N 127.15 0.10 1 757 87 GLY HA2 H 4.18 0.01 2 758 87 GLY HA3 H 4.02 0.01 2 759 87 GLY CA C 46.25 0.30 1 760 88 ARG H H 8.89 0.01 1 761 88 ARG HA H 4.26 0.02 1 762 88 ARG HB2 H 2.08 0.02 2 763 88 ARG HB3 H 2.29 0.02 2 765 89 GLN H H 7.96 0.01 1 766 89 GLN HA H 5.94 0.01 1 767 89 GLN HB2 H 2.23 0.01 2 768 89 GLN HB3 H 2.18 0.01 2 769 89 GLN HG2 H 2.51 0.01 1 770 89 GLN HG3 H 2.51 0.01 1 771 89 GLN HE21 H 7.50 0.01 2 772 89 GLN HE22 H 7.08 0.01 2 773 89 GLN CA C 54.15 0.30 1 774 89 GLN CB C 33.15 0.30 1 775 89 GLN CG C 33.55 0.30 1 776 89 GLN N N 114.75 0.10 1 777 89 GLN NE2 N 108.40 0.10 1 778 90 MET H H 8.94 0.01 1 779 90 MET HA H 5.02 0.01 1 780 90 MET HB2 H 2.12 0.01 2 781 90 MET HB3 H 2.02 0.01 2 782 90 MET HG2 H 2.69 0.01 1 783 90 MET HG3 H 2.69 0.01 1 784 90 MET HE H 2.13 0.01 1 787 90 MET CG C 33.55 0.30 1 788 90 MET CE C 17.75 0.30 1 789 90 MET N N 118.25 0.10 1 790 91 ILE H H 8.40 0.01 1 791 91 ILE HA H 5.40 0.01 1 792 91 ILE HB H 1.75 0.01 1 793 91 ILE HG12 H 1.58 0.01 2 794 91 ILE HG13 H 1.33 0.01 2 795 91 ILE HG2 H 0.90 0.01 1 796 91 ILE HD1 H 0.98 0.01 1 799 91 ILE CG1 C 27.65 0.30 1 800 91 ILE CG2 C 18.45 0.30 1 801 91 ILE CD1 C 14.25 0.30 1 802 91 ILE N N 120.65 0.10 1 803 92 MET H H 9.17 0.01 1 804 92 MET HA H 5.16 0.01 1 805 92 MET HB2 H 2.23 0.01 1 806 92 MET HB3 H 2.23 0.01 1 807 92 MET HG2 H 2.40 0.01 1 808 92 MET HG3 H 2.40 0.01 1 809 92 MET HE H 1.87 0.01 1 811 92 MET CE C 17.75 0.30 1 812 92 MET N N 126.55 0.10 1 813 93 VAL H H 8.76 0.01 1 814 93 VAL HA H 5.32 0.01 1 815 93 VAL HB H 2.05 0.01 1 816 93 VAL HG1 H 1.00 0.01 1 817 93 VAL HG2 H 1.00 0.01 1 820 93 VAL CG1 C 21.15 0.30 1 821 93 VAL CG2 C 21.15 0.30 1 823 94 LEU H H 9.61 0.01 1 824 94 LEU HA H 5.51 0.01 1 825 94 LEU HB2 H 1.98 0.01 2 826 94 LEU HB3 H 1.60 0.01 2 827 94 LEU HD1 H 1.07 0.01 2 828 94 LEU HD2 H 0.93 0.01 2 831 94 LEU CD1 C 24.55 0.30 2 832 94 LEU CD2 C 27.35 0.30 2 834 95 ALA H H 9.27 0.01 1 835 95 ALA HA H 5.21 0.01 1 836 95 ALA HB H 1.49 0.01 1 840 96 PRO HA H 4.79 0.01 1 841 96 PRO HB2 H 2.65 0.01 2 842 96 PRO HB3 H 2.13 0.01 2 843 96 PRO HG2 H 2.18 0.01 1 844 96 PRO HG3 H 2.18 0.01 1 845 96 PRO HD2 H 3.89 0.01 2 846 96 PRO HD3 H 3.74 0.01 2 849 96 PRO CD C 50.35 0.30 1 850 97 LYS H H 8.23 0.01 1 851 97 LYS HA H 4.30 0.01 1 852 97 LYS HB2 H 2.17 0.01 1 853 97 LYS HB3 H 2.17 0.01 1 854 97 LYS HG2 H 1.50 0.01 2 855 97 LYS HG3 H 1.40 0.01 2 856 97 LYS HD2 H 1.82 0.01 2 857 97 LYS HD3 H 1.56 0.01 2 858 97 LYS HE2 H 3.10 0.01 1 859 97 LYS HE3 H 3.10 0.01 1 862 97 LYS CG C 25.65 0.30 1 863 97 LYS CD C 34.25 0.30 1 864 97 LYS CE C 42.15 0.30 1 866 98 LYS H H 8.56 0.01 1 867 98 LYS HA H 4.51 0.01 1 868 98 LYS HB2 H 1.83 0.01 1 869 98 LYS HB3 H 1.83 0.01 1 871 99 LYS H H 8.60 0.01 1 872 99 LYS HA H 4.54 0.01 1 874 100 GLN H H 8.21 0.01 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _MEDLINE_UI_code 7490747 save_ save_ref_2 _Saveframe_category citation _MEDLINE_UI_code 9054966 save_