data_10225 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 301-331) of human Zinc finger protein 268 ; _BMRB_accession_number 10225 _BMRB_flat_file_name bmr10225.str _Entry_type new _Submission_date 2008-08-19 _Accession_date 2008-08-20 _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" 223 "13C chemical shifts" 165 "15N chemical shifts" 38 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-19 original author . stop_ 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 301-331) of human Zinc finger protein 268 ; _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 268' _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 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSSGSSGEKPYGCNECGKDF SSKSYLIVHQRIHTGEKLSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 LYS 10 PRO 11 TYR 12 GLY 13 CYS 14 ASN 15 GLU 16 CYS 17 GLY 18 LYS 19 ASP 20 PHE 21 SER 22 SER 23 LYS 24 SER 25 TYR 26 LEU 27 ILE 28 VAL 29 HIS 30 GLN 31 ARG 32 ILE 33 HIS 34 THR 35 GLY 36 GLU 37 LYS 38 LEU 39 SER 40 GLY 41 PRO 42 SER 43 SER 44 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2EMW "Solution Structure Of The C2h2 Type Zinc Finger (Region 301- 331) Of Human Zinc Finger Protein 268" 100.00 44 100.00 100.00 3.07e-21 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination 'zf-C2H2 domain' 13 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 16 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 29 HIS NE2 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 33 HIS NE2 'ZINC ION' . . ZN stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'zf-C2H2 domain' 13 CYS HG 'zf-C2H2 domain' 16 CYS HG 'zf-C2H2 domain' 29 HIS HE2 'zf-C2H2 domain' 33 HIS HE2 stop_ 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 P061218-02 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 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _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 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 6 6 SER HA H 4.443 0.030 1 2 6 6 SER HB2 H 3.875 0.030 1 3 6 6 SER HB3 H 3.875 0.030 1 4 6 6 SER C C 174.977 0.300 1 5 6 6 SER CA C 58.518 0.300 1 6 6 6 SER CB C 63.628 0.300 1 7 7 7 GLY H H 8.375 0.030 1 8 7 7 GLY HA2 H 3.943 0.030 1 9 7 7 GLY HA3 H 3.943 0.030 1 10 7 7 GLY C C 174.013 0.300 1 11 7 7 GLY CA C 45.265 0.300 1 12 7 7 GLY N N 110.641 0.300 1 13 8 8 GLU H H 8.221 0.030 1 14 8 8 GLU HA H 4.211 0.030 1 15 8 8 GLU HB2 H 1.902 0.030 1 16 8 8 GLU HB3 H 1.902 0.030 1 17 8 8 GLU HG2 H 2.212 0.030 1 18 8 8 GLU HG3 H 2.212 0.030 1 19 8 8 GLU C C 176.367 0.300 1 20 8 8 GLU CA C 56.659 0.300 1 21 8 8 GLU CB C 30.440 0.300 1 22 8 8 GLU CG C 36.289 0.300 1 23 8 8 GLU N N 120.286 0.300 1 24 9 9 LYS H H 8.366 0.030 1 25 9 9 LYS HA H 4.523 0.030 1 26 9 9 LYS HB2 H 1.567 0.030 1 27 9 9 LYS HB3 H 1.567 0.030 1 28 9 9 LYS HD2 H 1.563 0.030 2 29 9 9 LYS HD3 H 1.507 0.030 2 30 9 9 LYS HE2 H 3.004 0.030 2 31 9 9 LYS HE3 H 2.900 0.030 2 32 9 9 LYS HG2 H 1.324 0.030 2 33 9 9 LYS HG3 H 1.226 0.030 2 34 9 9 LYS C C 174.265 0.300 1 35 9 9 LYS CA C 53.760 0.300 1 36 9 9 LYS CB C 32.697 0.300 1 37 9 9 LYS CD C 29.266 0.300 1 38 9 9 LYS CE C 42.308 0.300 1 39 9 9 LYS CG C 24.621 0.300 1 40 9 9 LYS N N 122.243 0.300 1 41 10 10 PRO HA H 4.279 0.030 1 42 10 10 PRO HB2 H 1.252 0.030 2 43 10 10 PRO HB3 H 2.002 0.030 2 44 10 10 PRO HD2 H 3.566 0.030 1 45 10 10 PRO HD3 H 3.566 0.030 1 46 10 10 PRO HG2 H 1.613 0.030 2 47 10 10 PRO HG3 H 1.797 0.030 2 48 10 10 PRO C C 176.457 0.300 1 49 10 10 PRO CA C 63.415 0.300 1 50 10 10 PRO CB C 32.074 0.300 1 51 10 10 PRO CD C 50.437 0.300 1 52 10 10 PRO CG C 26.799 0.300 1 53 11 11 TYR H H 8.273 0.030 1 54 11 11 TYR HA H 4.715 0.030 1 55 11 11 TYR HB2 H 2.958 0.030 2 56 11 11 TYR HB3 H 2.883 0.030 2 57 11 11 TYR HD1 H 7.018 0.030 1 58 11 11 TYR HD2 H 7.018 0.030 1 59 11 11 TYR HE1 H 6.852 0.030 1 60 11 11 TYR HE2 H 6.852 0.030 1 61 11 11 TYR C C 174.995 0.300 1 62 11 11 TYR CA C 56.584 0.300 1 63 11 11 TYR CB C 38.169 0.300 1 64 11 11 TYR CD1 C 132.996 0.300 1 65 11 11 TYR CD2 C 132.996 0.300 1 66 11 11 TYR CE1 C 118.299 0.300 1 67 11 11 TYR CE2 C 118.299 0.300 1 68 11 11 TYR N N 118.862 0.300 1 69 12 12 GLY H H 8.221 0.030 1 70 12 12 GLY HA2 H 3.613 0.030 2 71 12 12 GLY HA3 H 4.865 0.030 2 72 12 12 GLY C C 173.074 0.300 1 73 12 12 GLY CA C 44.870 0.300 1 74 12 12 GLY N N 110.093 0.300 1 75 13 13 CYS H H 9.115 0.030 1 76 13 13 CYS HA H 4.665 0.030 1 77 13 13 CYS HB2 H 2.860 0.030 2 78 13 13 CYS HB3 H 3.440 0.030 2 79 13 13 CYS C C 177.041 0.300 1 80 13 13 CYS CA C 58.883 0.300 1 81 13 13 CYS CB C 29.920 0.300 1 82 13 13 CYS N N 123.945 0.300 1 83 14 14 ASN H H 9.374 0.030 1 84 14 14 ASN HA H 4.550 0.030 1 85 14 14 ASN HB2 H 2.894 0.030 1 86 14 14 ASN HB3 H 2.894 0.030 1 87 14 14 ASN HD21 H 7.667 0.030 2 88 14 14 ASN HD22 H 6.976 0.030 2 89 14 14 ASN C C 175.484 0.300 1 90 14 14 ASN CA C 55.420 0.300 1 91 14 14 ASN CB C 38.238 0.300 1 92 14 14 ASN N N 129.983 0.300 1 93 14 14 ASN ND2 N 113.111 0.300 1 94 15 15 GLU H H 8.645 0.030 1 95 15 15 GLU HA H 4.212 0.030 1 96 15 15 GLU HB2 H 1.371 0.030 1 97 15 15 GLU HB3 H 1.371 0.030 1 98 15 15 GLU HG2 H 1.908 0.030 2 99 15 15 GLU HG3 H 1.774 0.030 2 100 15 15 GLU C C 177.052 0.300 1 101 15 15 GLU CA C 58.326 0.300 1 102 15 15 GLU CB C 29.466 0.300 1 103 15 15 GLU CG C 35.717 0.300 1 104 15 15 GLU N N 120.926 0.300 1 105 16 16 CYS H H 7.846 0.030 1 106 16 16 CYS HA H 5.144 0.030 1 107 16 16 CYS HB2 H 2.904 0.030 2 108 16 16 CYS HB3 H 3.422 0.030 2 109 16 16 CYS C C 176.147 0.300 1 110 16 16 CYS CA C 58.213 0.300 1 111 16 16 CYS CB C 32.251 0.300 1 112 16 16 CYS N N 114.327 0.300 1 113 17 17 GLY H H 8.188 0.030 1 114 17 17 GLY HA2 H 3.875 0.030 2 115 17 17 GLY HA3 H 4.202 0.030 2 116 17 17 GLY C C 174.225 0.300 1 117 17 17 GLY CA C 46.360 0.300 1 118 17 17 GLY N N 113.009 0.300 1 119 18 18 LYS H H 7.801 0.030 1 120 18 18 LYS HA H 4.087 0.030 1 121 18 18 LYS HB2 H 1.411 0.030 2 122 18 18 LYS HB3 H 1.336 0.030 2 123 18 18 LYS HD2 H 1.558 0.030 1 124 18 18 LYS HD3 H 1.558 0.030 1 125 18 18 LYS HE2 H 2.966 0.030 1 126 18 18 LYS HE3 H 2.966 0.030 1 127 18 18 LYS HG2 H 1.526 0.030 2 128 18 18 LYS HG3 H 1.238 0.030 2 129 18 18 LYS C C 173.597 0.300 1 130 18 18 LYS CA C 57.553 0.300 1 131 18 18 LYS CB C 34.123 0.300 1 132 18 18 LYS CD C 29.355 0.300 1 133 18 18 LYS CE C 42.186 0.300 1 134 18 18 LYS CG C 26.334 0.300 1 135 18 18 LYS N N 122.310 0.300 1 136 19 19 ASP H H 7.782 0.030 1 137 19 19 ASP HA H 5.140 0.030 1 138 19 19 ASP HB2 H 2.445 0.030 2 139 19 19 ASP HB3 H 2.355 0.030 2 140 19 19 ASP C C 174.660 0.300 1 141 19 19 ASP CA C 52.887 0.300 1 142 19 19 ASP CB C 43.759 0.300 1 143 19 19 ASP N N 118.910 0.300 1 144 20 20 PHE H H 8.207 0.030 1 145 20 20 PHE HA H 4.735 0.030 1 146 20 20 PHE HB2 H 2.978 0.030 2 147 20 20 PHE HB3 H 3.341 0.030 2 148 20 20 PHE HD1 H 7.309 0.030 1 149 20 20 PHE HD2 H 7.309 0.030 1 150 20 20 PHE HE1 H 6.797 0.030 1 151 20 20 PHE HE2 H 6.797 0.030 1 152 20 20 PHE HZ H 6.072 0.030 1 153 20 20 PHE C C 175.997 0.300 1 154 20 20 PHE CA C 57.637 0.300 1 155 20 20 PHE CB C 43.683 0.300 1 156 20 20 PHE CD1 C 132.166 0.300 1 157 20 20 PHE CD2 C 132.166 0.300 1 158 20 20 PHE CE1 C 130.748 0.300 1 159 20 20 PHE CE2 C 130.748 0.300 1 160 20 20 PHE CZ C 128.692 0.300 1 161 20 20 PHE N N 116.189 0.300 1 162 21 21 SER H H 9.247 0.030 1 163 21 21 SER HA H 4.557 0.030 1 164 21 21 SER HB2 H 3.976 0.030 2 165 21 21 SER HB3 H 4.183 0.030 2 166 21 21 SER C C 173.988 0.300 1 167 21 21 SER CA C 59.854 0.300 1 168 21 21 SER CB C 63.994 0.300 1 169 21 21 SER N N 114.221 0.300 1 170 22 22 SER H H 7.490 0.030 1 171 22 22 SER HA H 4.473 0.030 1 172 22 22 SER HB2 H 3.649 0.030 2 173 22 22 SER HB3 H 3.878 0.030 2 174 22 22 SER C C 173.228 0.300 1 175 22 22 SER CA C 56.284 0.300 1 176 22 22 SER CB C 66.196 0.300 1 177 22 22 SER N N 113.081 0.300 1 178 23 23 LYS H H 8.298 0.030 1 179 23 23 LYS HA H 3.376 0.030 1 180 23 23 LYS HB2 H 1.590 0.030 2 181 23 23 LYS HB3 H 1.351 0.030 2 182 23 23 LYS HD2 H 1.692 0.030 2 183 23 23 LYS HD3 H 1.634 0.030 2 184 23 23 LYS HE2 H 2.977 0.030 2 185 23 23 LYS HE3 H 2.940 0.030 2 186 23 23 LYS HG2 H 1.326 0.030 2 187 23 23 LYS HG3 H 1.212 0.030 2 188 23 23 LYS C C 177.950 0.300 1 189 23 23 LYS CA C 58.783 0.300 1 190 23 23 LYS CB C 31.851 0.300 1 191 23 23 LYS CD C 29.355 0.300 1 192 23 23 LYS CE C 42.219 0.300 1 193 23 23 LYS CG C 24.978 0.300 1 194 23 23 LYS N N 124.483 0.300 1 195 24 24 SER H H 8.124 0.030 1 196 24 24 SER HA H 3.971 0.030 1 197 24 24 SER HB2 H 3.675 0.030 2 198 24 24 SER HB3 H 3.636 0.030 2 199 24 24 SER C C 176.849 0.300 1 200 24 24 SER CA C 61.969 0.300 1 201 24 24 SER CB C 61.969 0.300 1 202 24 24 SER N N 113.002 0.300 1 203 25 25 TYR H H 7.305 0.030 1 204 25 25 TYR HA H 4.325 0.030 1 205 25 25 TYR HB2 H 3.256 0.030 2 206 25 25 TYR HB3 H 3.042 0.030 2 207 25 25 TYR HD1 H 7.224 0.030 1 208 25 25 TYR HD2 H 7.224 0.030 1 209 25 25 TYR HE1 H 6.862 0.030 1 210 25 25 TYR HE2 H 6.862 0.030 1 211 25 25 TYR C C 178.583 0.300 1 212 25 25 TYR CA C 59.396 0.300 1 213 25 25 TYR CB C 37.560 0.300 1 214 25 25 TYR CD1 C 132.145 0.300 1 215 25 25 TYR CD2 C 132.145 0.300 1 216 25 25 TYR CE1 C 118.299 0.300 1 217 25 25 TYR CE2 C 118.299 0.300 1 218 25 25 TYR N N 119.444 0.300 1 219 26 26 LEU H H 7.358 0.030 1 220 26 26 LEU HA H 3.339 0.030 1 221 26 26 LEU HB2 H 1.436 0.030 2 222 26 26 LEU HB3 H 2.115 0.030 2 223 26 26 LEU HD1 H 1.009 0.030 1 224 26 26 LEU HD2 H 0.980 0.030 1 225 26 26 LEU HG H 1.483 0.030 1 226 26 26 LEU C C 177.371 0.300 1 227 26 26 LEU CA C 58.191 0.300 1 228 26 26 LEU CB C 40.695 0.300 1 229 26 26 LEU CD1 C 26.586 0.300 2 230 26 26 LEU CD2 C 22.890 0.300 2 231 26 26 LEU CG C 27.486 0.300 1 232 26 26 LEU N N 122.536 0.300 1 233 27 27 ILE H H 8.225 0.030 1 234 27 27 ILE HA H 3.778 0.030 1 235 27 27 ILE HB H 1.852 0.030 1 236 27 27 ILE HD1 H 0.786 0.030 1 237 27 27 ILE HG12 H 1.213 0.030 2 238 27 27 ILE HG13 H 1.608 0.030 2 239 27 27 ILE HG2 H 0.873 0.030 1 240 27 27 ILE C C 179.086 0.300 1 241 27 27 ILE CA C 64.790 0.300 1 242 27 27 ILE CB C 37.725 0.300 1 243 27 27 ILE CD1 C 13.064 0.300 1 244 27 27 ILE CG1 C 29.076 0.300 1 245 27 27 ILE CG2 C 17.194 0.300 1 246 27 27 ILE N N 119.370 0.300 1 247 28 28 VAL H H 7.394 0.030 1 248 28 28 VAL HA H 3.507 0.030 1 249 28 28 VAL HB H 1.960 0.030 1 250 28 28 VAL HG1 H 0.922 0.030 1 251 28 28 VAL HG2 H 1.033 0.030 1 252 28 28 VAL C C 178.897 0.300 1 253 28 28 VAL CA C 66.606 0.300 1 254 28 28 VAL CB C 31.929 0.300 1 255 28 28 VAL CG1 C 21.181 0.300 2 256 28 28 VAL CG2 C 22.603 0.300 2 257 28 28 VAL N N 118.982 0.300 1 258 29 29 HIS H H 7.587 0.030 1 259 29 29 HIS HA H 4.134 0.030 1 260 29 29 HIS HB2 H 2.679 0.030 2 261 29 29 HIS HB3 H 3.042 0.030 2 262 29 29 HIS HD2 H 6.808 0.030 1 263 29 29 HIS HE1 H 8.041 0.030 1 264 29 29 HIS C C 176.397 0.300 1 265 29 29 HIS CA C 59.312 0.300 1 266 29 29 HIS CB C 27.959 0.300 1 267 29 29 HIS CD2 C 127.109 0.300 1 268 29 29 HIS CE1 C 139.318 0.300 1 269 29 29 HIS N N 119.908 0.300 1 270 30 30 GLN H H 8.502 0.030 1 271 30 30 GLN HA H 3.615 0.030 1 272 30 30 GLN HB2 H 2.308 0.030 2 273 30 30 GLN HB3 H 2.205 0.030 2 274 30 30 GLN HE21 H 7.707 0.030 2 275 30 30 GLN HE22 H 6.944 0.030 2 276 30 30 GLN HG2 H 2.933 0.030 2 277 30 30 GLN HG3 H 2.788 0.030 2 278 30 30 GLN C C 177.427 0.300 1 279 30 30 GLN CA C 59.579 0.300 1 280 30 30 GLN CB C 28.227 0.300 1 281 30 30 GLN CG C 36.144 0.300 1 282 30 30 GLN N N 115.041 0.300 1 283 30 30 GLN NE2 N 112.605 0.300 1 284 31 31 ARG H H 7.242 0.030 1 285 31 31 ARG HA H 4.142 0.030 1 286 31 31 ARG HB2 H 1.899 0.030 2 287 31 31 ARG HB3 H 1.790 0.030 2 288 31 31 ARG HD2 H 3.192 0.030 1 289 31 31 ARG HD3 H 3.192 0.030 1 290 31 31 ARG HG2 H 1.917 0.030 2 291 31 31 ARG HG3 H 1.661 0.030 2 292 31 31 ARG C C 178.802 0.300 1 293 31 31 ARG CA C 58.548 0.300 1 294 31 31 ARG CB C 30.083 0.300 1 295 31 31 ARG CD C 43.533 0.300 1 296 31 31 ARG CG C 27.926 0.300 1 297 31 31 ARG N N 118.327 0.300 1 298 32 32 ILE H H 7.871 0.030 1 299 32 32 ILE HA H 3.947 0.030 1 300 32 32 ILE HB H 1.653 0.030 1 301 32 32 ILE HD1 H 0.713 0.030 1 302 32 32 ILE HG12 H 0.920 0.030 2 303 32 32 ILE HG13 H 0.794 0.030 2 304 32 32 ILE HG2 H 0.574 0.030 1 305 32 32 ILE C C 177.496 0.300 1 306 32 32 ILE CA C 63.124 0.300 1 307 32 32 ILE CB C 37.609 0.300 1 308 32 32 ILE CD1 C 14.348 0.300 1 309 32 32 ILE CG1 C 26.746 0.300 1 310 32 32 ILE CG2 C 16.425 0.300 1 311 32 32 ILE N N 116.287 0.300 1 312 33 33 HIS H H 7.158 0.030 1 313 33 33 HIS HA H 4.846 0.030 1 314 33 33 HIS HB2 H 3.344 0.030 2 315 33 33 HIS HB3 H 3.243 0.030 2 316 33 33 HIS HD2 H 6.751 0.030 1 317 33 33 HIS HE1 H 8.052 0.030 1 318 33 33 HIS C C 176.000 0.300 1 319 33 33 HIS CA C 55.125 0.300 1 320 33 33 HIS CB C 28.536 0.300 1 321 33 33 HIS CD2 C 127.577 0.300 1 322 33 33 HIS CE1 C 139.996 0.300 1 323 33 33 HIS N N 117.660 0.300 1 324 34 34 THR H H 7.811 0.030 1 325 34 34 THR HA H 4.320 0.030 1 326 34 34 THR HB H 4.320 0.030 1 327 34 34 THR HG2 H 1.247 0.030 1 328 34 34 THR C C 175.641 0.300 1 329 34 34 THR CA C 62.869 0.300 1 330 34 34 THR CB C 69.771 0.300 1 331 34 34 THR CG2 C 21.193 0.300 1 332 34 34 THR N N 112.089 0.300 1 333 35 35 GLY H H 8.210 0.030 1 334 35 35 GLY HA2 H 4.019 0.030 2 335 35 35 GLY HA3 H 3.944 0.030 2 336 35 35 GLY C C 174.359 0.300 1 337 35 35 GLY CA C 45.494 0.300 1 338 35 35 GLY N N 110.437 0.300 1 339 36 36 GLU H H 8.085 0.030 1 340 36 36 GLU HA H 4.214 0.030 1 341 36 36 GLU HB2 H 2.004 0.030 2 342 36 36 GLU HB3 H 1.953 0.030 2 343 36 36 GLU HG2 H 2.272 0.030 2 344 36 36 GLU HG3 H 2.216 0.030 2 345 36 36 GLU C C 176.485 0.300 1 346 36 36 GLU CA C 56.691 0.300 1 347 36 36 GLU CB C 30.455 0.300 1 348 36 36 GLU CG C 36.287 0.300 1 349 36 36 GLU N N 120.789 0.300 1 350 37 37 LYS H H 8.316 0.030 1 351 37 37 LYS HA H 4.313 0.030 1 352 37 37 LYS HB2 H 1.831 0.030 2 353 37 37 LYS HB3 H 1.758 0.030 2 354 37 37 LYS HD2 H 1.668 0.030 1 355 37 37 LYS HD3 H 1.668 0.030 1 356 37 37 LYS HE2 H 2.962 0.030 1 357 37 37 LYS HE3 H 2.962 0.030 1 358 37 37 LYS HG2 H 1.457 0.030 2 359 37 37 LYS HG3 H 1.399 0.030 2 360 37 37 LYS C C 176.554 0.300 1 361 37 37 LYS CA C 56.270 0.300 1 362 37 37 LYS CB C 32.830 0.300 1 363 37 37 LYS CD C 28.999 0.300 1 364 37 37 LYS CE C 42.203 0.300 1 365 37 37 LYS CG C 24.678 0.300 1 366 37 37 LYS N N 122.204 0.300 1 367 38 38 LEU H H 8.295 0.030 1 368 38 38 LEU HA H 4.390 0.030 1 369 38 38 LEU HB2 H 1.663 0.030 2 370 38 38 LEU HB3 H 1.598 0.030 2 371 38 38 LEU HD1 H 0.911 0.030 1 372 38 38 LEU HD2 H 0.850 0.030 1 373 38 38 LEU HG H 1.623 0.030 1 374 38 38 LEU C C 177.408 0.300 1 375 38 38 LEU CA C 55.081 0.300 1 376 38 38 LEU CB C 42.248 0.300 1 377 38 38 LEU CD1 C 24.978 0.300 2 378 38 38 LEU CD2 C 23.370 0.300 2 379 38 38 LEU CG C 27.211 0.300 1 380 38 38 LEU N N 123.561 0.300 1 381 39 39 SER H H 8.293 0.030 1 382 39 39 SER HA H 4.487 0.030 1 383 39 39 SER HB2 H 3.857 0.030 1 384 39 39 SER HB3 H 3.857 0.030 1 385 39 39 SER C C 174.479 0.300 1 386 39 39 SER CA C 58.221 0.300 1 387 39 39 SER CB C 63.918 0.300 1 388 39 39 SER N N 116.483 0.300 1 389 40 40 GLY H H 8.210 0.030 1 390 40 40 GLY HA2 H 4.163 0.030 2 391 40 40 GLY HA3 H 4.097 0.030 2 392 40 40 GLY C C 171.732 0.300 1 393 40 40 GLY CA C 44.672 0.300 1 394 40 40 GLY N N 110.630 0.300 1 395 41 41 PRO HA H 4.476 0.030 1 396 41 41 PRO HB2 H 1.968 0.030 2 397 41 41 PRO HB3 H 2.295 0.030 2 398 41 41 PRO HD2 H 3.627 0.030 1 399 41 41 PRO HD3 H 3.627 0.030 1 400 41 41 PRO HG2 H 2.017 0.030 1 401 41 41 PRO HG3 H 2.017 0.030 1 402 41 41 PRO C C 177.357 0.300 1 403 41 41 PRO CA C 63.215 0.300 1 404 41 41 PRO CB C 32.212 0.300 1 405 41 41 PRO CD C 49.791 0.300 1 406 41 41 PRO CG C 27.142 0.300 1 407 42 42 SER H H 8.535 0.030 1 408 42 42 SER HA H 4.470 0.030 1 409 42 42 SER HB2 H 3.879 0.030 1 410 42 42 SER HB3 H 3.879 0.030 1 411 42 42 SER C C 174.589 0.300 1 412 42 42 SER CA C 58.435 0.300 1 413 42 42 SER CB C 63.984 0.300 1 414 42 42 SER N N 116.375 0.300 1 415 43 43 SER H H 8.303 0.030 1 416 43 43 SER HA H 4.457 0.030 1 417 43 43 SER HB2 H 3.860 0.030 1 418 43 43 SER HB3 H 3.860 0.030 1 419 43 43 SER C C 173.896 0.300 1 420 43 43 SER CA C 58.281 0.300 1 421 43 43 SER CB C 64.036 0.300 1 422 43 43 SER N N 117.817 0.300 1 423 44 44 GLY H H 8.050 0.030 1 424 44 44 GLY C C 178.954 0.300 1 425 44 44 GLY CA C 46.178 0.300 1 426 44 44 GLY N N 116.847 0.300 1 stop_ save_