data_10169 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 171-203) of human Zinc finger protein 224 ; _BMRB_accession_number 10169 _BMRB_flat_file_name bmr10169.str _Entry_type original _Submission_date 2008-01-31 _Accession_date 2008-02-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 185 "13C chemical shifts" 139 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-24 original author . stop_ _Original_release_date 2009-02-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 type zinc finger (region 171-203) of human Zinc finger protein 224 ; _Citation_status 'in preparation' _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 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger protein 224' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2 domain' $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'zf-C2H2 domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSGEKSHTCDECGK NFCYISALRIHQRVHMGEKC SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLY 10 GLU 11 LYS 12 SER 13 HIS 14 THR 15 CYS 16 ASP 17 GLU 18 CYS 19 GLY 20 LYS 21 ASN 22 PHE 23 CYS 24 TYR 25 ILE 26 SER 27 ALA 28 LEU 29 ARG 30 ILE 31 HIS 32 GLN 33 ARG 34 VAL 35 HIS 36 MET 37 GLY 38 GLU 39 LYS 40 CYS 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2EN8 "Solution Structure Of The C2h2 Type Zinc Finger (Region 171- 203) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 3.71e-23 stop_ 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 . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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 $entity_1 human 9606 Eukaryota Metazoa Homo sapiens 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 $entity_1 'cell free synthesis' . . . . plasmid P061225-17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'zf-C2H2 domain' _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 9 9 GLY CA C 45.281 0.300 1 2 9 9 GLY HA3 H 3.935 0.030 1 3 9 9 GLY C C 174.135 0.300 1 4 9 9 GLY HA2 H 3.935 0.030 1 5 10 10 GLU N N 120.713 0.300 1 6 10 10 GLU H H 8.248 0.030 1 7 10 10 GLU CA C 56.650 0.300 1 8 10 10 GLU HA H 4.221 0.030 1 9 10 10 GLU CB C 30.255 0.300 1 10 10 10 GLU HB3 H 1.867 0.030 2 11 10 10 GLU CG C 36.266 0.300 1 12 10 10 GLU HG3 H 2.284 0.030 2 13 10 10 GLU C C 176.461 0.300 1 14 10 10 GLU HB2 H 1.978 0.030 2 15 10 10 GLU HG2 H 2.220 0.030 2 16 11 11 LYS N N 122.447 0.300 1 17 11 11 LYS H H 8.369 0.030 1 18 11 11 LYS CA C 55.860 0.300 1 19 11 11 LYS HA H 4.251 0.030 1 20 11 11 LYS CB C 32.853 0.300 1 21 11 11 LYS HB3 H 1.668 0.030 1 22 11 11 LYS CG C 24.674 0.300 1 23 11 11 LYS HG3 H 1.310 0.030 1 24 11 11 LYS CD C 29.048 0.300 1 25 11 11 LYS HD3 H 1.596 0.030 1 26 11 11 LYS CE C 42.177 0.300 1 27 11 11 LYS HE3 H 2.937 0.030 1 28 11 11 LYS C C 175.765 0.300 1 29 11 11 LYS HB2 H 1.668 0.030 1 30 11 11 LYS HD2 H 1.596 0.030 1 31 11 11 LYS HE2 H 2.937 0.030 1 32 11 11 LYS HG2 H 1.310 0.030 1 33 12 12 SER N N 115.851 0.300 1 34 12 12 SER H H 7.899 0.030 1 35 12 12 SER CA C 58.089 0.300 1 36 12 12 SER HA H 4.334 0.030 1 37 12 12 SER CB C 64.118 0.300 1 38 12 12 SER HB3 H 3.583 0.030 1 39 12 12 SER C C 173.004 0.300 1 40 12 12 SER HB2 H 3.583 0.030 1 41 13 13 HIS N N 122.321 0.300 1 42 13 13 HIS H H 8.450 0.030 1 43 13 13 HIS CA C 55.542 0.300 1 44 13 13 HIS HA H 4.711 0.030 1 45 13 13 HIS CB C 31.777 0.300 1 46 13 13 HIS HB3 H 2.881 0.030 2 47 13 13 HIS CD2 C 120.124 0.300 1 48 13 13 HIS HD2 H 6.564 0.030 1 49 13 13 HIS CE1 C 138.551 0.300 1 50 13 13 HIS HE1 H 7.731 0.030 1 51 13 13 HIS C C 174.797 0.300 1 52 13 13 HIS HB2 H 2.974 0.030 2 53 14 14 THR N N 120.690 0.300 1 54 14 14 THR H H 8.703 0.030 1 55 14 14 THR CA C 61.874 0.300 1 56 14 14 THR HA H 4.977 0.030 1 57 14 14 THR CB C 71.173 0.300 1 58 14 14 THR HB H 3.766 0.030 1 59 14 14 THR CG2 C 21.670 0.300 1 60 14 14 THR HG2 H 1.000 0.030 1 61 14 14 THR C C 173.574 0.300 1 62 15 15 CYS N N 127.944 0.300 1 63 15 15 CYS H H 9.190 0.030 1 64 15 15 CYS CA C 59.578 0.300 1 65 15 15 CYS HA H 4.496 0.030 1 66 15 15 CYS CB C 29.551 0.300 1 67 15 15 CYS HB3 H 2.877 0.030 2 68 15 15 CYS C C 176.421 0.300 1 69 15 15 CYS HB2 H 3.394 0.030 2 70 16 16 ASP N N 132.096 0.300 1 71 16 16 ASP H H 9.243 0.030 1 72 16 16 ASP CA C 56.482 0.300 1 73 16 16 ASP HA H 4.397 0.030 1 74 16 16 ASP CB C 40.687 0.300 1 75 16 16 ASP HB3 H 2.706 0.030 1 76 16 16 ASP C C 176.308 0.300 1 77 16 16 ASP HB2 H 2.706 0.030 1 78 17 17 GLU N N 120.252 0.300 1 79 17 17 GLU H H 8.524 0.030 1 80 17 17 GLU CA C 58.336 0.300 1 81 17 17 GLU HA H 4.181 0.030 1 82 17 17 GLU CB C 29.651 0.300 1 83 17 17 GLU HB3 H 1.285 0.030 2 84 17 17 GLU CG C 35.706 0.300 1 85 17 17 GLU HG3 H 1.707 0.030 2 86 17 17 GLU C C 177.189 0.300 1 87 17 17 GLU HB2 H 1.345 0.030 2 88 17 17 GLU HG2 H 1.860 0.030 2 89 18 18 CYS N N 114.371 0.300 1 90 18 18 CYS H H 7.834 0.030 1 91 18 18 CYS CA C 58.344 0.300 1 92 18 18 CYS HA H 5.146 0.030 1 93 18 18 CYS CB C 32.565 0.300 1 94 18 18 CYS HB3 H 3.409 0.030 2 95 18 18 CYS C C 176.321 0.300 1 96 18 18 CYS HB2 H 2.837 0.030 2 97 19 19 GLY N N 113.718 0.300 1 98 19 19 GLY H H 8.339 0.030 1 99 19 19 GLY CA C 46.154 0.300 1 100 19 19 GLY HA3 H 4.167 0.030 2 101 19 19 GLY C C 173.777 0.300 1 102 19 19 GLY HA2 H 3.733 0.030 2 103 20 20 LYS N N 122.244 0.300 1 104 20 20 LYS H H 7.876 0.030 1 105 20 20 LYS CA C 58.108 0.300 1 106 20 20 LYS HA H 3.952 0.030 1 107 20 20 LYS CB C 33.739 0.300 1 108 20 20 LYS HB3 H 1.382 0.030 2 109 20 20 LYS CG C 26.321 0.300 1 110 20 20 LYS HG3 H 1.450 0.030 2 111 20 20 LYS CD C 29.177 0.300 1 112 20 20 LYS HD3 H 1.456 0.030 2 113 20 20 LYS CE C 42.155 0.300 1 114 20 20 LYS HE3 H 2.880 0.030 2 115 20 20 LYS C C 174.125 0.300 1 116 20 20 LYS HB2 H 1.234 0.030 2 117 20 20 LYS HD2 H 1.386 0.030 2 118 20 20 LYS HE2 H 2.947 0.030 2 119 20 20 LYS HG2 H 1.066 0.030 2 120 21 21 ASN N N 118.989 0.300 1 121 21 21 ASN H H 7.986 0.030 1 122 21 21 ASN CA C 52.255 0.300 1 123 21 21 ASN HA H 5.260 0.030 1 124 21 21 ASN CB C 41.894 0.300 1 125 21 21 ASN HB3 H 2.422 0.030 1 126 21 21 ASN ND2 N 113.058 0.300 1 127 21 21 ASN HD21 H 6.745 0.030 2 128 21 21 ASN HD22 H 7.279 0.030 2 129 21 21 ASN C C 173.974 0.300 1 130 21 21 ASN HB2 H 2.422 0.030 1 131 22 22 PHE N N 118.357 0.300 1 132 22 22 PHE H H 8.729 0.030 1 133 22 22 PHE CA C 57.281 0.300 1 134 22 22 PHE HA H 4.599 0.030 1 135 22 22 PHE CB C 43.439 0.300 1 136 22 22 PHE HB3 H 3.259 0.030 2 137 22 22 PHE CD1 C 132.358 0.300 1 138 22 22 PHE HD1 H 7.207 0.030 1 139 22 22 PHE CD2 C 132.358 0.300 1 140 22 22 PHE HD2 H 7.207 0.030 1 141 22 22 PHE CE1 C 130.674 0.300 1 142 22 22 PHE HE1 H 6.817 0.030 1 143 22 22 PHE CE2 C 130.674 0.300 1 144 22 22 PHE HE2 H 6.817 0.030 1 145 22 22 PHE CZ C 128.792 0.300 1 146 22 22 PHE HZ H 6.176 0.030 1 147 22 22 PHE C C 175.459 0.300 1 148 22 22 PHE HB2 H 2.621 0.030 2 149 23 23 CYS CA C 60.735 0.300 1 150 23 23 CYS HA H 4.382 0.030 1 151 23 23 CYS CB C 27.868 0.300 1 152 23 23 CYS HB3 H 2.621 0.030 2 153 23 23 CYS C C 173.938 0.300 1 154 23 23 CYS HB2 H 2.656 0.030 2 155 24 24 TYR N N 114.062 0.300 1 156 24 24 TYR H H 7.375 0.030 1 157 24 24 TYR CA C 55.792 0.300 1 158 24 24 TYR HA H 5.006 0.030 1 159 24 24 TYR CB C 41.225 0.300 1 160 24 24 TYR HB3 H 3.433 0.030 2 161 24 24 TYR CD1 C 133.760 0.300 1 162 24 24 TYR HD1 H 7.247 0.030 1 163 24 24 TYR CD2 C 133.760 0.300 1 164 24 24 TYR HD2 H 7.247 0.030 1 165 24 24 TYR CE1 C 118.357 0.300 1 166 24 24 TYR HE1 H 6.867 0.030 1 167 24 24 TYR CE2 C 118.357 0.300 1 168 24 24 TYR HE2 H 6.867 0.030 1 169 24 24 TYR C C 176.484 0.300 1 170 24 24 TYR HB2 H 2.696 0.030 2 171 25 25 ILE N N 125.892 0.300 1 172 25 25 ILE H H 8.886 0.030 1 173 25 25 ILE CA C 63.625 0.300 1 174 25 25 ILE HA H 3.421 0.030 1 175 25 25 ILE CB C 37.584 0.300 1 176 25 25 ILE HB H 1.296 0.030 1 177 25 25 ILE CG1 C 29.385 0.300 1 178 25 25 ILE HG13 H 1.076 0.030 2 179 25 25 ILE CG2 C 17.120 0.300 1 180 25 25 ILE HG2 H 0.830 0.030 1 181 25 25 ILE CD1 C 13.493 0.300 1 182 25 25 ILE HD1 H 0.743 0.030 1 183 25 25 ILE C C 177.052 0.300 1 184 25 25 ILE HG12 H 0.981 0.030 2 185 26 26 SER N N 116.283 0.300 1 186 26 26 SER H H 8.370 0.030 1 187 26 26 SER CA C 60.986 0.300 1 188 26 26 SER HA H 3.982 0.030 1 189 26 26 SER CB C 61.572 0.300 1 190 26 26 SER HB3 H 3.832 0.030 1 191 26 26 SER C C 176.298 0.300 1 192 26 26 SER HB2 H 3.832 0.030 1 193 27 27 ALA N N 123.029 0.300 1 194 27 27 ALA H H 6.647 0.030 1 195 27 27 ALA CA C 54.300 0.300 1 196 27 27 ALA HA H 4.099 0.030 1 197 27 27 ALA CB C 19.034 0.300 1 198 27 27 ALA HB H 1.666 0.030 1 199 27 27 ALA C C 179.963 0.300 1 200 28 28 LEU N N 121.207 0.300 1 201 28 28 LEU H H 7.084 0.030 1 202 28 28 LEU CA C 57.723 0.300 1 203 28 28 LEU HA H 3.008 0.030 1 204 28 28 LEU CB C 40.253 0.300 1 205 28 28 LEU HB3 H 2.001 0.030 2 206 28 28 LEU CG C 27.461 0.300 1 207 28 28 LEU HG H 1.384 0.030 1 208 28 28 LEU CD1 C 23.064 0.300 2 209 28 28 LEU HD1 H 0.936 0.030 1 210 28 28 LEU CD2 C 26.511 0.300 2 211 28 28 LEU HD2 H 0.894 0.030 1 212 28 28 LEU C C 177.583 0.300 1 213 28 28 LEU HB2 H 1.137 0.030 2 214 29 29 ARG N N 117.731 0.300 1 215 29 29 ARG H H 8.183 0.030 1 216 29 29 ARG CA C 58.953 0.300 1 217 29 29 ARG HA H 4.100 0.030 1 218 29 29 ARG CB C 29.440 0.300 1 219 29 29 ARG HB3 H 1.780 0.030 2 220 29 29 ARG CG C 27.554 0.300 1 221 29 29 ARG HG3 H 1.614 0.030 2 222 29 29 ARG CD C 43.050 0.300 1 223 29 29 ARG HD3 H 3.033 0.030 2 224 29 29 ARG C C 179.718 0.300 1 225 29 29 ARG HB2 H 1.837 0.030 2 226 29 29 ARG HD2 H 3.155 0.030 2 227 29 29 ARG HG2 H 1.692 0.030 2 228 30 30 ILE N N 119.059 0.300 1 229 30 30 ILE H H 7.480 0.030 1 230 30 30 ILE CA C 64.651 0.300 1 231 30 30 ILE HA H 3.612 0.030 1 232 30 30 ILE CB C 38.266 0.300 1 233 30 30 ILE HB H 1.707 0.030 1 234 30 30 ILE CG1 C 29.264 0.300 1 235 30 30 ILE HG13 H 1.633 0.030 2 236 30 30 ILE CG2 C 17.192 0.300 1 237 30 30 ILE HG2 H 0.872 0.030 1 238 30 30 ILE CD1 C 12.681 0.300 1 239 30 30 ILE HD1 H 0.781 0.030 1 240 30 30 ILE C C 178.844 0.300 1 241 30 30 ILE HG12 H 1.108 0.030 2 242 31 31 HIS N N 120.618 0.300 1 243 31 31 HIS H H 7.565 0.030 1 244 31 31 HIS CA C 59.193 0.300 1 245 31 31 HIS HA H 4.187 0.030 1 246 31 31 HIS CB C 28.263 0.300 1 247 31 31 HIS HB3 H 3.080 0.030 2 248 31 31 HIS CD2 C 127.092 0.300 1 249 31 31 HIS HD2 H 6.835 0.030 1 250 31 31 HIS CE1 C 139.750 0.300 1 251 31 31 HIS HE1 H 7.999 0.030 1 252 31 31 HIS C C 176.323 0.300 1 253 31 31 HIS HB2 H 2.855 0.030 2 254 32 32 GLN N N 115.336 0.300 1 255 32 32 GLN H H 8.413 0.030 1 256 32 32 GLN CA C 59.459 0.300 1 257 32 32 GLN HA H 3.578 0.030 1 258 32 32 GLN CB C 28.370 0.300 1 259 32 32 GLN HB3 H 2.133 0.030 2 260 32 32 GLN CG C 35.732 0.300 1 261 32 32 GLN HG3 H 2.739 0.030 2 262 32 32 GLN NE2 N 113.094 0.300 1 263 32 32 GLN HE21 H 7.710 0.030 2 264 32 32 GLN HE22 H 6.972 0.030 2 265 32 32 GLN C C 177.630 0.300 1 266 32 32 GLN HB2 H 2.264 0.030 2 267 32 32 GLN HG2 H 2.826 0.030 2 268 33 33 ARG N N 118.205 0.300 1 269 33 33 ARG H H 7.230 0.030 1 270 33 33 ARG CA C 58.907 0.300 1 271 33 33 ARG HA H 4.017 0.030 1 272 33 33 ARG CB C 29.906 0.300 1 273 33 33 ARG HB3 H 1.810 0.030 2 274 33 33 ARG CG C 27.387 0.300 1 275 33 33 ARG HG3 H 1.867 0.030 2 276 33 33 ARG CD C 43.468 0.300 1 277 33 33 ARG HD3 H 3.180 0.030 1 278 33 33 ARG C C 178.998 0.300 1 279 33 33 ARG HB2 H 1.899 0.030 2 280 33 33 ARG HD2 H 3.180 0.030 1 281 33 33 ARG HG2 H 1.690 0.030 2 282 34 34 VAL N N 116.652 0.300 1 283 34 34 VAL H H 7.929 0.030 1 284 34 34 VAL CA C 64.172 0.300 1 285 34 34 VAL HA H 3.849 0.030 1 286 34 34 VAL CB C 31.027 0.300 1 287 34 34 VAL HB H 1.916 0.030 1 288 34 34 VAL CG1 C 19.795 0.300 2 289 34 34 VAL HG1 H 0.623 0.030 1 290 34 34 VAL CG2 C 19.805 0.300 2 291 34 34 VAL HG2 H 0.515 0.030 1 292 34 34 VAL C C 177.609 0.300 1 293 35 35 HIS N N 116.579 0.300 1 294 35 35 HIS H H 7.002 0.030 1 295 35 35 HIS CA C 54.913 0.300 1 296 35 35 HIS HA H 4.799 0.030 1 297 35 35 HIS CB C 28.576 0.300 1 298 35 35 HIS HB3 H 3.352 0.030 2 299 35 35 HIS CD2 C 127.509 0.300 1 300 35 35 HIS HD2 H 6.657 0.030 1 301 35 35 HIS CE1 C 139.979 0.300 1 302 35 35 HIS HE1 H 8.015 0.030 1 303 35 35 HIS C C 175.666 0.300 1 304 35 35 HIS HB2 H 3.092 0.030 2 305 36 36 MET N N 118.563 0.300 1 306 36 36 MET H H 7.508 0.030 1 307 36 36 MET CA C 56.556 0.300 1 308 36 36 MET HA H 4.389 0.030 1 309 36 36 MET CB C 32.971 0.300 1 310 36 36 MET HB3 H 2.171 0.030 2 311 36 36 MET CG C 32.030 0.300 1 312 36 36 MET HG3 H 2.632 0.030 2 313 36 36 MET CE C 16.964 0.300 1 314 36 36 MET HE H 2.051 0.030 1 315 36 36 MET C C 176.824 0.300 1 316 36 36 MET HB2 H 2.023 0.030 2 317 36 36 MET HG2 H 2.555 0.030 2 318 37 37 GLY N N 108.831 0.300 1 319 37 37 GLY H H 8.190 0.030 1 320 37 37 GLY CA C 45.478 0.300 1 321 37 37 GLY HA3 H 3.944 0.030 1 322 37 37 GLY C C 174.378 0.300 1 323 37 37 GLY HA2 H 3.944 0.030 1 324 38 38 GLU N N 120.546 0.300 1 325 38 38 GLU H H 8.102 0.030 1 326 38 38 GLU CA C 56.637 0.300 1 327 38 38 GLU HA H 4.234 0.030 1 328 38 38 GLU CB C 30.266 0.300 1 329 38 38 GLU HB3 H 1.999 0.030 1 330 38 38 GLU CG C 36.225 0.300 1 331 38 38 GLU HG3 H 2.283 0.030 2 332 38 38 GLU C C 176.786 0.300 1 333 38 38 GLU HB2 H 1.999 0.030 1 334 38 38 GLU HG2 H 2.222 0.030 2 335 39 39 LYS N N 121.499 0.300 1 336 39 39 LYS H H 8.275 0.030 1 337 39 39 LYS CA C 56.239 0.300 1 338 39 39 LYS HA H 4.318 0.030 1 339 39 39 LYS CB C 32.798 0.300 1 340 39 39 LYS HB3 H 1.771 0.030 2 341 39 39 LYS CG C 24.759 0.300 1 342 39 39 LYS HG3 H 1.455 0.030 2 343 39 39 LYS CD C 28.977 0.300 1 344 39 39 LYS HD3 H 1.649 0.030 1 345 39 39 LYS CE C 42.112 0.300 1 346 39 39 LYS HE3 H 2.964 0.030 1 347 39 39 LYS C C 176.575 0.300 1 348 39 39 LYS HB2 H 1.849 0.030 2 349 39 39 LYS HD2 H 1.649 0.030 1 350 39 39 LYS HE2 H 2.964 0.030 1 351 39 39 LYS HG2 H 1.408 0.030 2 352 40 40 CYS N N 120.323 0.300 1 353 40 40 CYS H H 8.318 0.030 1 354 40 40 CYS CA C 58.407 0.300 1 355 40 40 CYS CB C 28.054 0.300 1 356 40 40 CYS C C 174.564 0.300 1 stop_ save_