data_6905 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of a Zap1 Zinc-Responsive Domain Provides Insights into Metalloregulatory Transcriptional Repression in Saccharomyces cerevisiae ; _BMRB_accession_number 6905 _BMRB_flat_file_name bmr6905.str _Entry_type original _Submission_date 2005-11-18 _Accession_date 2005-11-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Two zinc fingers that form an unusual stable interacting motif similar to F1-2 of GLI' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Zhonghua . . 2 Feng Linda S. . 3 Matskevich Viktor A. . 4 Venkataraman Krishna . . 5 Parasuram Priya . . 6 Laity John H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 101 "13C chemical shifts" 184 "15N chemical shifts" 56 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-27 original author . stop_ _Original_release_date 2006-04-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of a Zap1 Zinc-responsive Domain Provides Insights into Metalloregulatory Transcriptional Repression in Saccharomyces cerevisiae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Zhonghua . . 2 Feng Linda S. . 3 Matskevich Viktor A. . 4 Venkataraman Krishna . . 5 Parasuram Priya . . 6 Laity John H. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 357 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1167 _Page_last 1183 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zap1 - monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '64 amino acid polypeptide' $Zap1 'ZINC (II) ION, 1' $ZN 'ZINC (II) ION, 2' $ZN stop_ _System_molecular_weight 7618 _System_physical_state native _System_oligomer_state 'protein-ligand system' _System_paramagnetic no _System_thiol_state 'free and other bound' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component diamagnetic 'ZINC (II) ION, 1' diamagnetic 'ZINC (II) ION, 2' stop_ loop_ _Biological_function 'Transcription factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Zap1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Zap1-2 _Molecular_mass . _Mol_thiol_state 'free and other bound' loop_ _Biological_function 'Transcription factor' stop_ _Details 'two Cys2His2 zinc fingers' ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; DLKCKWKECPESCSSLFDLQ RHLLKDHVSQDFKHPMEPLA CNWEDCDFLGDDTCSIVNHI NCQH ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 LEU 3 LYS 4 CYS 5 LYS 6 TRP 7 LYS 8 GLU 9 CYS 10 PRO 11 GLU 12 SER 13 CYS 14 SER 15 SER 16 LEU 17 PHE 18 ASP 19 LEU 20 GLN 21 ARG 22 HIS 23 LEU 24 LEU 25 LYS 26 ASP 27 HIS 28 VAL 29 SER 30 GLN 31 ASP 32 PHE 33 LYS 34 HIS 35 PRO 36 MET 37 GLU 38 PRO 39 LEU 40 ALA 41 CYS 42 ASN 43 TRP 44 GLU 45 ASP 46 CYS 47 ASP 48 PHE 49 LEU 50 GLY 51 ASP 52 ASP 53 THR 54 CYS 55 SER 56 ILE 57 VAL 58 ASN 59 HIS 60 ILE 61 ASN 62 CYS 63 GLN 64 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Zap1 yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name _Vendor_name $Zap1 'recombinant technology' E.coli Escherichia coli BL21 DE3 plasmid p21a-zzf1-2 Novagen stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Zap1-2, Zn(II), MES, NaN2, TCEP, DSS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Zap1 0.7 mM '[U-C13; U-15N]' $ZN 1.5 mM . MES 20 mM . TCEP 0.5 mM . DSS 0.2 mM . NaN2 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'Data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 97.027.12.56 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details 'triple resonance {1H, 15N, 13C} probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_1H-15N_HSQC _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCACB _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_CBCA(CO)NH _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCO _Sample_label $sample_1 save_ save_3D_H(CA)CO(CA)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_H(CA)CO(CA)NH _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNHA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.03 pH temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label 2D_1H-15N_HSQC 3D_HNCACB 3D_CBCA(CO)NH 3D_HNCO 3D_H(CA)CO(CA)NH 3D_HNHA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name '64 amino acid polypeptide' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LEU H H 8.83 0.015 1 2 2 2 LEU HA H 4.56 0.05 1 3 2 2 LEU C C 175.4 0.08 1 4 2 2 LEU CA C 53.6 0.31 1 5 2 2 LEU CB C 42.9 0.31 1 6 2 2 LEU N N 122.9 0.14 1 7 3 3 LYS H H 8.31 0.015 1 8 3 3 LYS HA H 4.43 0.05 1 9 3 3 LYS C C 175.8 0.08 1 10 3 3 LYS CA C 54.5 0.31 1 11 3 3 LYS CB C 33 0.31 1 12 3 3 LYS N N 124.2 0.14 1 13 4 4 CYS H H 8.22 0.015 1 14 4 4 CYS HA H 4.34 0.05 1 15 4 4 CYS C C 176.5 0.08 1 16 4 4 CYS CA C 61.6 0.31 1 17 4 4 CYS CB C 29.9 0.31 1 18 4 4 CYS N N 126.8 0.14 1 19 5 5 LYS C C 175.8 0.08 1 20 5 5 LYS CA C 53.9 0.31 1 21 5 5 LYS CB C 29.7 0.31 1 22 6 6 TRP H H 9.05 0.015 1 23 6 6 TRP HA H 4.04 0.05 1 24 6 6 TRP C C 175.8 0.08 1 25 6 6 TRP CA C 57.7 0.31 1 26 6 6 TRP CB C 28.8 0.31 1 27 6 6 TRP N N 128.3 0.14 1 28 7 7 LYS H H 7.38 0.015 1 29 7 7 LYS C C 176.4 0.08 1 30 7 7 LYS CA C 58.5 0.31 1 31 7 7 LYS CB C 32.6 0.31 1 32 7 7 LYS N N 128.7 0.14 1 33 8 8 GLU H H 8.79 0.015 1 34 8 8 GLU HA H 3.91 0.05 1 35 8 8 GLU C C 175.2 0.08 1 36 8 8 GLU CA C 57.3 0.31 1 37 8 8 GLU CB C 27.7 0.31 1 38 8 8 GLU N N 118.6 0.14 1 39 9 9 CYS H H 8.26 0.015 1 40 9 9 CYS HA H 4.86 0.05 1 41 9 9 CYS C C 176.5 0.08 1 42 9 9 CYS CA C 57.3 0.31 1 43 9 9 CYS CB C 31.5 0.31 1 44 9 9 CYS N N 124.7 0.14 1 45 10 10 PRO C C 177.4 0.08 1 46 10 10 PRO CA C 63.2 0.31 1 47 10 10 PRO CB C 32.5 0.31 1 48 11 11 GLU H H 8.92 0.015 1 49 11 11 GLU HA H 4.29 0.05 1 50 11 11 GLU C C 176.7 0.08 1 51 11 11 GLU CA C 57.9 0.31 1 52 11 11 GLU CB C 30.7 0.31 1 53 11 11 GLU N N 123.7 0.14 1 54 12 12 SER H H 8.64 0.015 1 55 12 12 SER HA H 5.11 0.05 1 56 12 12 SER C C 173.2 0.08 1 57 12 12 SER CA C 57.9 0.31 1 58 12 12 SER CB C 65.6 0.31 1 59 12 12 SER N N 118.2 0.14 1 60 13 13 CYS H H 9.05 0.015 1 61 13 13 CYS HA H 4.92 0.05 1 62 13 13 CYS C C 174.8 0.08 1 63 13 13 CYS CA C 57.7 0.31 1 64 13 13 CYS CB C 32.9 0.31 1 65 13 13 CYS N N 119.9 0.14 1 66 14 14 SER H H 9.46 0.015 1 67 14 14 SER HA H 4.65 0.05 1 68 14 14 SER C C 173.8 0.08 1 69 14 14 SER CA C 59.6 0.31 1 70 14 14 SER CB C 64 0.31 1 71 14 14 SER N N 115.8 0.14 1 72 15 15 SER H H 7.53 0.015 1 73 15 15 SER HA H 4.72 0.05 1 74 15 15 SER C C 174.1 0.08 1 75 15 15 SER CA C 56.5 0.31 1 76 15 15 SER CB C 66.4 0.31 1 77 15 15 SER N N 111.4 0.14 1 78 16 16 LEU H H 9.16 0.015 1 79 16 16 LEU C C 178.7 0.08 1 80 16 16 LEU CA C 58 0.31 1 81 16 16 LEU CB C 41.3 0.31 1 82 16 16 LEU N N 124 0.14 1 83 17 17 PHE H H 8.33 0.015 1 84 17 17 PHE HA H 4.33 0.05 1 85 17 17 PHE C C 178 0.08 1 86 17 17 PHE CA C 60.5 0.31 1 87 17 17 PHE CB C 38.8 0.31 1 88 17 17 PHE N N 119.8 0.14 1 89 18 18 ASP H H 8.1 0.015 1 90 18 18 ASP HA H 4.36 0.05 1 91 18 18 ASP C C 178.8 0.08 1 92 18 18 ASP CA C 57.1 0.31 1 93 18 18 ASP CB C 41 0.31 1 94 18 18 ASP N N 119.8 0.14 1 95 19 19 LEU H H 8.34 0.015 1 96 19 19 LEU HA H 4.87 0.05 1 97 19 19 LEU C C 178.1 0.08 1 98 19 19 LEU CA C 58.1 0.31 1 99 19 19 LEU CB C 42.1 0.31 1 100 19 19 LEU N N 123.5 0.14 1 101 20 20 GLN H H 8.41 0.015 1 102 20 20 GLN HA H 3.82 0.05 1 103 20 20 GLN C C 178.1 0.08 1 104 20 20 GLN CA C 59.6 0.31 1 105 20 20 GLN CB C 28.1 0.31 1 106 20 20 GLN N N 119.2 0.14 1 107 21 21 ARG H H 7.87 0.015 1 108 21 21 ARG HA H 3.84 0.05 1 109 21 21 ARG C C 178.5 0.08 1 110 21 21 ARG CA C 59.1 0.31 1 111 21 21 ARG CB C 29.5 0.31 1 112 21 21 ARG N N 117.8 0.14 1 113 22 22 HIS H H 8.28 0.015 1 114 22 22 HIS HA H 4.36 0.05 1 115 22 22 HIS C C 176.8 0.08 1 116 22 22 HIS CA C 58.4 0.31 1 117 22 22 HIS CB C 28.3 0.31 1 118 22 22 HIS N N 119.8 0.14 1 119 23 23 LEU H H 8.71 0.015 1 120 23 23 LEU HA H 3.48 0.05 1 121 23 23 LEU C C 178.7 0.08 1 122 23 23 LEU CA C 58.9 0.31 1 123 23 23 LEU CB C 42.4 0.31 1 124 23 23 LEU N N 120.2 0.14 1 125 24 24 LEU H H 7.64 0.015 1 126 24 24 LEU HA H 3.88 0.05 1 127 24 24 LEU C C 177.7 0.08 1 128 24 24 LEU CA C 57.1 0.31 1 129 24 24 LEU CB C 42 0.31 1 130 24 24 LEU N N 116.1 0.14 1 131 25 25 LYS H H 8.21 0.015 1 132 25 25 LYS HA H 4.09 0.05 1 133 25 25 LYS C C 178 0.08 1 134 25 25 LYS CA C 57.8 0.31 1 135 25 25 LYS CB C 33.2 0.31 1 136 25 25 LYS N N 117.1 0.14 1 137 26 26 ASP H H 8.21 0.015 1 138 26 26 ASP HA H 4.59 0.05 1 139 26 26 ASP C C 176.6 0.08 1 140 26 26 ASP CA C 55 0.31 1 141 26 26 ASP CB C 40.6 0.31 1 142 26 26 ASP N N 114.4 0.14 1 143 27 27 HIS H H 6.82 0.015 1 144 27 27 HIS HA H 4.72 0.05 1 145 27 27 HIS C C 174.3 0.08 1 146 27 27 HIS CA C 55 0.31 1 147 27 27 HIS CB C 27.7 0.31 1 148 27 27 HIS N N 113.7 0.14 1 149 28 28 VAL H H 7.41 0.015 1 150 28 28 VAL C C 175.6 0.08 1 151 28 28 VAL CA C 62.9 0.31 1 152 28 28 VAL CB C 32.5 0.31 1 153 28 28 VAL N N 117.9 0.14 1 154 29 29 SER H H 8.2 0.015 1 155 29 29 SER C C 174.5 0.08 1 156 29 29 SER CA C 58.3 0.31 1 157 29 29 SER CB C 63.5 0.31 1 158 29 29 SER N N 117.9 0.14 1 159 30 30 GLN H H 8.19 0.015 1 160 30 30 GLN C C 175.6 0.08 1 161 30 30 GLN CA C 55.8 0.31 1 162 30 30 GLN CB C 29.3 0.31 1 163 30 30 GLN N N 121.6 0.14 1 164 31 31 ASP H H 8.26 0.015 1 165 31 31 ASP HA H 4.52 0.05 1 166 31 31 ASP C C 176.3 0.08 1 167 31 31 ASP CA C 54.1 0.31 1 168 31 31 ASP CB C 40.9 0.31 1 169 31 31 ASP N N 120.8 0.14 1 170 32 32 PHE H H 8.1 0.015 1 171 32 32 PHE HA H 4.57 0.05 1 172 32 32 PHE C C 175.8 0.08 1 173 32 32 PHE CA C 57.7 0.31 1 174 32 32 PHE CB C 38.5 0.31 1 175 32 32 PHE N N 120.3 0.14 1 176 33 33 LYS H H 8.04 0.015 1 177 33 33 LYS HA H 4.2 0.05 1 178 33 33 LYS C C 176.1 0.08 1 179 33 33 LYS CA C 56.1 0.31 1 180 33 33 LYS CB C 32.9 0.31 1 181 33 33 LYS N N 120.9 0.14 1 182 34 34 HIS H H 8.32 0.015 1 183 34 34 HIS C C 174 0.08 1 184 34 34 HIS CA C 53.6 0.31 1 185 34 34 HIS CB C 29.6 0.31 1 186 34 34 HIS N N 119.9 0.14 1 187 35 35 PRO C C 177.2 0.08 1 188 35 35 PRO CA C 63.8 0.31 1 189 35 35 PRO CB C 32.2 0.31 1 190 36 36 MET H H 8.95 0.015 1 191 36 36 MET HA H 4.45 0.05 1 192 36 36 MET C C 175.9 0.08 1 193 36 36 MET CA C 55.4 0.31 1 194 36 36 MET CB C 31.7 0.31 1 195 36 36 MET N N 117.7 0.14 1 196 37 37 GLU H H 7.72 0.015 1 197 37 37 GLU HA H 4.67 0.05 1 198 37 37 GLU C C 173.8 0.08 1 199 37 37 GLU CA C 53.8 0.31 1 200 37 37 GLU CB C 30.2 0.31 1 201 37 37 GLU N N 120.9 0.14 1 202 38 38 PRO C C 176.1 0.08 1 203 38 38 PRO CA C 62.9 0.31 1 204 38 38 PRO CB C 32.4 0.31 1 205 39 39 LEU H H 8.58 0.015 1 206 39 39 LEU HA H 4.41 0.05 1 207 39 39 LEU C C 174.9 0.08 1 208 39 39 LEU CA C 54.1 0.31 1 209 39 39 LEU CB C 42.8 0.31 1 210 39 39 LEU N N 122.9 0.14 1 211 40 40 ALA H H 8.16 0.015 1 212 40 40 ALA HA H 4.77 0.05 1 213 40 40 ALA C C 176.9 0.08 1 214 40 40 ALA CA C 50.8 0.31 1 215 40 40 ALA CB C 20.4 0.31 1 216 40 40 ALA N N 125.2 0.14 1 217 41 41 CYS H H 8.08 0.015 1 218 41 41 CYS HA H 4.34 0.05 1 219 41 41 CYS C C 175.4 0.08 1 220 41 41 CYS CA C 60.3 0.31 1 221 41 41 CYS CB C 31.3 0.31 1 222 41 41 CYS N N 122.6 0.14 1 223 43 43 TRP C C 174.9 0.08 1 224 43 43 TRP CA C 58 0.31 1 225 43 43 TRP CB C 28.9 0.31 1 226 44 44 GLU H H 7.29 0.015 1 227 44 44 GLU CA C 58.3 0.31 1 228 44 44 GLU CB C 29.6 0.31 1 229 44 44 GLU N N 127.7 0.14 1 230 45 45 ASP H H 8.59 0.015 1 231 45 45 ASP HA H 4.5 0.05 1 232 45 45 ASP C C 174.6 0.08 1 233 45 45 ASP CA C 54.5 0.31 1 234 45 45 ASP CB C 39.7 0.31 1 235 45 45 ASP N N 120.9 0.14 1 236 46 46 CYS H H 8.25 0.015 1 237 46 46 CYS HA H 4.31 0.05 1 238 46 46 CYS C C 174.7 0.08 1 239 46 46 CYS CA C 61.2 0.31 1 240 46 46 CYS CB C 30.4 0.31 1 241 46 46 CYS N N 123.7 0.14 1 242 47 47 ASP H H 8.21 0.015 1 243 47 47 ASP HA H 4.95 0.05 1 244 47 47 ASP C C 176.5 0.08 1 245 47 47 ASP CA C 52.9 0.31 1 246 47 47 ASP CB C 40.9 0.31 1 247 47 47 ASP N N 125.9 0.14 1 248 48 48 PHE H H 8.76 0.015 1 249 48 48 PHE HA H 3.99 0.05 1 250 48 48 PHE C C 174.2 0.08 1 251 48 48 PHE CA C 60.8 0.31 1 252 48 48 PHE CB C 40.4 0.31 1 253 48 48 PHE N N 124.3 0.14 1 254 49 49 LEU H H 7.05 0.015 1 255 49 49 LEU HA H 4.67 0.05 1 256 49 49 LEU C C 175.2 0.08 1 257 49 49 LEU CA C 53.1 0.31 1 258 49 49 LEU CB C 44.6 0.31 1 259 49 49 LEU N N 129 0.14 1 260 50 50 GLY H H 8.89 0.015 1 261 50 50 GLY C C 172.9 0.08 1 262 50 50 GLY CA C 43.9 0.31 1 263 50 50 GLY N N 109.7 0.14 1 264 51 51 ASP H H 8.57 0.015 1 265 51 51 ASP C C 175.5 0.08 1 266 51 51 ASP CA C 55.5 0.31 1 267 51 51 ASP CB C 41.5 0.31 1 268 51 51 ASP N N 119.2 0.14 1 269 52 52 ASP H H 7.68 0.015 1 270 52 52 ASP HA H 4.38 0.05 1 271 52 52 ASP C C 177 0.08 1 272 52 52 ASP CA C 54.4 0.31 1 273 52 52 ASP CB C 40.8 0.31 1 274 52 52 ASP N N 113.6 0.14 1 275 53 53 THR H H 8.25 0.015 1 276 53 53 THR HA H 4.22 0.05 1 277 53 53 THR C C 175.1 0.08 1 278 53 53 THR CA C 62.7 0.31 1 279 53 53 THR CB C 69.4 0.31 1 280 53 53 THR N N 113.7 0.14 1 281 54 54 CYS H H 8.28 0.015 1 282 54 54 CYS HA H 4.36 0.05 1 283 54 54 CYS C C 174.5 0.08 1 284 54 54 CYS CA C 59 0.31 1 285 54 54 CYS CB C 27.7 0.31 1 286 54 54 CYS N N 120.3 0.14 1 287 55 55 SER H H 8.28 0.015 1 288 55 55 SER C C 173.9 0.08 1 289 55 55 SER CA C 58.3 0.31 1 290 55 55 SER CB C 63.4 0.31 1 291 55 55 SER N N 117.8 0.14 1 292 56 56 ILE H H 8.09 0.015 1 293 56 56 ILE HA H 4.34 0.05 1 294 56 56 ILE C C 176 0.08 1 295 56 56 ILE CA C 61.4 0.31 1 296 56 56 ILE CB C 38.7 0.31 1 297 56 56 ILE N N 122.5 0.14 1 298 57 57 VAL C C 177.7 0.08 1 299 57 57 VAL CA C 67.3 0.31 1 300 57 57 VAL CB C 31.4 0.31 1 301 58 58 ASN H H 8.25 0.015 1 302 58 58 ASN HA H 4.67 0.05 1 303 58 58 ASN C C 177.3 0.08 1 304 58 58 ASN CA C 56.3 0.31 1 305 58 58 ASN CB C 38.2 0.31 1 306 58 58 ASN N N 116.8 0.14 1 307 59 59 HIS H H 7.8 0.015 1 308 59 59 HIS HA H 3.97 0.05 1 309 59 59 HIS C C 176.2 0.08 1 310 59 59 HIS CA C 59.2 0.31 1 311 59 59 HIS CB C 27.7 0.31 1 312 59 59 HIS N N 118.8 0.14 1 313 60 60 ILE H H 8.53 0.015 1 314 60 60 ILE C C 177.6 0.08 1 315 60 60 ILE CA C 65.3 0.31 1 316 60 60 ILE CB C 37.9 0.31 1 317 60 60 ILE N N 120.2 0.14 1 318 61 61 ASN H H 7.98 0.015 1 319 61 61 ASN HA H 4.38 0.05 1 320 61 61 ASN C C 177.3 0.08 1 321 61 61 ASN CA C 55.2 0.31 1 322 61 61 ASN CB C 38.7 0.31 1 323 61 61 ASN N N 115.1 0.14 1 324 62 62 CYS H H 7.68 0.015 1 325 62 62 CYS HA H 4.4 0.05 1 326 62 62 CYS C C 175.8 0.08 1 327 62 62 CYS CA C 60.7 0.31 1 328 62 62 CYS CB C 28.7 0.31 1 329 62 62 CYS N N 114.1 0.14 1 330 63 63 GLN H H 8.03 0.015 1 331 63 63 GLN HA H 4.18 0.05 1 332 63 63 GLN C C 174.9 0.08 1 333 63 63 GLN CA C 55.6 0.31 1 334 63 63 GLN CB C 29.3 0.31 1 335 63 63 GLN N N 116.4 0.14 1 336 64 64 HIS H H 8.08 0.015 1 337 64 64 HIS HA H 4.45 0.05 1 338 64 64 HIS C C 179 0.08 1 339 64 64 HIS CA C 56.7 0.31 1 340 64 64 HIS CB C 30.1 0.31 1 341 64 64 HIS N N 125.3 0.14 1 stop_ save_