data_10228 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 628-660) of human Zinc finger protein 95 homolog ; _BMRB_accession_number 10228 _BMRB_flat_file_name bmr10228.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" 210 "13C chemical shifts" 147 "15N chemical shifts" 34 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 628-660) of human Zinc finger protein 95 homolog ; _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 95 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label zf-C2H2 $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 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSGERPFKCNECGK GFGRRSHLAGHLRLHSREKS 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 ARG 12 PRO 13 PHE 14 LYS 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 GLY 22 PHE 23 GLY 24 ARG 25 ARG 26 SER 27 HIS 28 LEU 29 ALA 30 GLY 31 HIS 32 LEU 33 ARG 34 LEU 35 HIS 36 SER 37 ARG 38 GLU 39 LYS 40 SER 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 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 2EMZ "Solution Structure Of The C2h2 Type Zinc Finger (Region 628- 660) Of Human Zinc Finger Protein 95 Homolog" 100.00 46 100.00 100.00 1.02e-20 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 15 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 18 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 31 HIS NE2 'ZINC ION' . . ZN single coordination zf-C2H2 35 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 15 CYS HG zf-C2H2 18 CYS HG zf-C2H2 31 HIS HE2 zf-C2H2 35 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 P061225-14 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 _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 8 8 SER HA H 4.438 0.030 1 2 8 8 SER HB2 H 3.860 0.030 1 3 8 8 SER HB3 H 3.860 0.030 1 4 8 8 SER CA C 58.600 0.300 1 5 8 8 SER CB C 63.792 0.300 1 6 9 9 GLY H H 8.454 0.030 1 7 9 9 GLY HA2 H 3.938 0.030 1 8 9 9 GLY HA3 H 3.938 0.030 1 9 9 9 GLY CA C 45.227 0.300 1 10 9 9 GLY N N 110.842 0.300 1 11 10 10 GLU H H 8.211 0.030 1 12 10 10 GLU HA H 4.206 0.030 1 13 10 10 GLU HB2 H 1.975 0.030 2 14 10 10 GLU HB3 H 1.889 0.030 2 15 10 10 GLU HG2 H 2.249 0.030 2 16 10 10 GLU HG3 H 2.195 0.030 2 17 10 10 GLU CA C 56.709 0.300 1 18 10 10 GLU CB C 30.317 0.300 1 19 10 10 GLU CG C 36.263 0.300 1 20 10 10 GLU N N 120.029 0.300 1 21 11 11 ARG HA H 4.425 0.030 1 22 11 11 ARG HB2 H 1.546 0.030 2 23 11 11 ARG HB3 H 1.411 0.030 2 24 11 11 ARG HD2 H 3.022 0.030 2 25 11 11 ARG HD3 H 2.928 0.030 2 26 11 11 ARG HG2 H 1.485 0.030 2 27 11 11 ARG HG3 H 1.351 0.030 2 28 11 11 ARG CA C 53.417 0.300 1 29 11 11 ARG CB C 29.953 0.300 1 30 11 11 ARG CD C 43.356 0.300 1 31 11 11 ARG CG C 27.033 0.300 1 32 11 11 ARG N N 117.766 0.300 1 33 12 12 PRO HA H 4.203 0.030 1 34 12 12 PRO HB2 H 1.967 0.030 2 35 12 12 PRO HB3 H 1.221 0.030 2 36 12 12 PRO HD2 H 3.630 0.030 2 37 12 12 PRO HD3 H 3.521 0.030 2 38 12 12 PRO HG2 H 1.786 0.030 2 39 12 12 PRO HG3 H 1.480 0.030 2 40 12 12 PRO C C 176.483 0.300 1 41 12 12 PRO CA C 63.898 0.300 1 42 12 12 PRO CB C 32.127 0.300 1 43 12 12 PRO CD C 50.380 0.300 1 44 12 12 PRO CG C 26.584 0.300 1 45 13 13 PHE H H 7.791 0.030 1 46 13 13 PHE HA H 4.757 0.030 1 47 13 13 PHE HB2 H 3.059 0.030 2 48 13 13 PHE HB3 H 2.857 0.030 2 49 13 13 PHE HD1 H 7.094 0.030 1 50 13 13 PHE HD2 H 7.094 0.030 1 51 13 13 PHE HE1 H 7.366 0.030 1 52 13 13 PHE HE2 H 7.366 0.030 1 53 13 13 PHE HZ H 7.358 0.030 1 54 13 13 PHE C C 174.511 0.300 1 55 13 13 PHE CA C 56.893 0.300 1 56 13 13 PHE CB C 39.090 0.300 1 57 13 13 PHE CD1 C 131.568 0.300 1 58 13 13 PHE CD2 C 131.568 0.300 1 59 13 13 PHE CE1 C 131.515 0.300 1 60 13 13 PHE CE2 C 131.515 0.300 1 61 13 13 PHE CZ C 130.152 0.300 1 62 13 13 PHE N N 118.173 0.300 1 63 14 14 LYS H H 8.611 0.030 1 64 14 14 LYS HA H 5.071 0.030 1 65 14 14 LYS HB2 H 1.658 0.030 2 66 14 14 LYS HB3 H 1.599 0.030 2 67 14 14 LYS HD2 H 1.552 0.030 1 68 14 14 LYS HD3 H 1.552 0.030 1 69 14 14 LYS HE2 H 2.938 0.030 1 70 14 14 LYS HE3 H 2.938 0.030 1 71 14 14 LYS HG2 H 1.240 0.030 2 72 14 14 LYS HG3 H 1.193 0.030 2 73 14 14 LYS C C 175.322 0.300 1 74 14 14 LYS CA C 55.006 0.300 1 75 14 14 LYS CB C 35.258 0.300 1 76 14 14 LYS CD C 29.165 0.300 1 77 14 14 LYS CE C 42.141 0.300 1 78 14 14 LYS CG C 24.688 0.300 1 79 14 14 LYS N N 124.455 0.300 1 80 15 15 CYS H H 9.115 0.030 1 81 15 15 CYS HA H 4.549 0.030 1 82 15 15 CYS HB2 H 3.377 0.030 2 83 15 15 CYS HB3 H 2.858 0.030 2 84 15 15 CYS C C 177.457 0.300 1 85 15 15 CYS CA C 59.450 0.300 1 86 15 15 CYS CB C 29.959 0.300 1 87 15 15 CYS N N 125.796 0.300 1 88 16 16 ASN H H 9.439 0.030 1 89 16 16 ASN HA H 4.552 0.030 1 90 16 16 ASN HB2 H 2.886 0.030 1 91 16 16 ASN HB3 H 2.886 0.030 1 92 16 16 ASN HD21 H 7.692 0.030 2 93 16 16 ASN HD22 H 6.966 0.030 2 94 16 16 ASN C C 175.327 0.300 1 95 16 16 ASN CA C 55.429 0.300 1 96 16 16 ASN CB C 38.518 0.300 1 97 16 16 ASN N N 130.041 0.300 1 98 16 16 ASN ND2 N 113.352 0.300 1 99 17 17 GLU H H 9.013 0.030 1 100 17 17 GLU HA H 4.244 0.030 1 101 17 17 GLU HB2 H 1.422 0.030 2 102 17 17 GLU HB3 H 1.366 0.030 2 103 17 17 GLU HG2 H 1.891 0.030 2 104 17 17 GLU HG3 H 1.792 0.030 2 105 17 17 GLU C C 177.345 0.300 1 106 17 17 GLU CA C 58.195 0.300 1 107 17 17 GLU CB C 29.394 0.300 1 108 17 17 GLU CG C 35.340 0.300 1 109 17 17 GLU N N 121.584 0.300 1 110 18 18 CYS H H 8.410 0.030 1 111 18 18 CYS HA H 5.193 0.030 1 112 18 18 CYS HB2 H 3.449 0.030 2 113 18 18 CYS HB3 H 2.879 0.030 2 114 18 18 CYS C C 176.413 0.300 1 115 18 18 CYS CA C 58.391 0.300 1 116 18 18 CYS CB C 32.346 0.300 1 117 18 18 CYS N N 116.182 0.300 1 118 19 19 GLY H H 8.045 0.030 1 119 19 19 GLY HA2 H 4.260 0.030 2 120 19 19 GLY HA3 H 3.829 0.030 2 121 19 19 GLY C C 173.661 0.300 1 122 19 19 GLY CA C 46.298 0.300 1 123 19 19 GLY N N 113.361 0.300 1 124 20 20 LYS H H 7.930 0.030 1 125 20 20 LYS HA H 3.967 0.030 1 126 20 20 LYS HB2 H 1.254 0.030 2 127 20 20 LYS HB3 H 1.499 0.030 2 128 20 20 LYS HD2 H 1.547 0.030 2 129 20 20 LYS HD3 H 1.454 0.030 2 130 20 20 LYS HE2 H 2.973 0.030 2 131 20 20 LYS HE3 H 2.906 0.030 2 132 20 20 LYS HG2 H 1.412 0.030 2 133 20 20 LYS HG3 H 1.053 0.030 2 134 20 20 LYS C C 174.605 0.300 1 135 20 20 LYS CA C 58.241 0.300 1 136 20 20 LYS CB C 33.836 0.300 1 137 20 20 LYS CD C 29.405 0.300 1 138 20 20 LYS CE C 42.168 0.300 1 139 20 20 LYS CG C 26.125 0.300 1 140 20 20 LYS N N 123.055 0.300 1 141 21 21 GLY H H 8.013 0.030 1 142 21 21 GLY HA2 H 4.880 0.030 2 143 21 21 GLY HA3 H 3.336 0.030 2 144 21 21 GLY CA C 44.008 0.300 1 145 21 21 GLY N N 108.426 0.300 1 146 22 22 PHE H H 8.731 0.030 1 147 22 22 PHE HA H 4.731 0.030 1 148 22 22 PHE HB2 H 3.468 0.030 2 149 22 22 PHE HB3 H 2.814 0.030 2 150 22 22 PHE HD1 H 7.283 0.030 1 151 22 22 PHE HD2 H 7.283 0.030 1 152 22 22 PHE HE1 H 6.826 0.030 1 153 22 22 PHE HE2 H 6.826 0.030 1 154 22 22 PHE HZ H 6.214 0.030 1 155 22 22 PHE CA C 57.510 0.300 1 156 22 22 PHE CB C 44.105 0.300 1 157 22 22 PHE CD1 C 132.340 0.300 1 158 22 22 PHE CD2 C 132.340 0.300 1 159 22 22 PHE CE1 C 130.761 0.300 1 160 22 22 PHE CE2 C 130.761 0.300 1 161 22 22 PHE CZ C 128.667 0.300 1 162 22 22 PHE N N 117.792 0.300 1 163 23 23 GLY HA2 H 4.454 0.030 2 164 23 23 GLY HA3 H 4.094 0.030 2 165 23 23 GLY CA C 45.710 0.300 1 166 23 23 GLY N N 109.000 0.300 1 167 24 24 ARG H H 7.197 0.030 1 168 24 24 ARG HA H 4.743 0.030 1 169 24 24 ARG HB2 H 1.707 0.030 2 170 24 24 ARG HB3 H 0.892 0.030 2 171 24 24 ARG HD2 H 3.006 0.030 2 172 24 24 ARG HD3 H 2.896 0.030 2 173 24 24 ARG HG2 H 1.456 0.030 1 174 24 24 ARG HG3 H 1.456 0.030 1 175 24 24 ARG CA C 53.655 0.300 1 176 24 24 ARG CB C 33.460 0.300 1 177 24 24 ARG CD C 43.183 0.300 1 178 24 24 ARG CG C 26.772 0.300 1 179 24 24 ARG N N 114.927 0.300 1 180 25 25 ARG HA H 2.980 0.030 1 181 25 25 ARG HB2 H 1.453 0.030 2 182 25 25 ARG HB3 H 1.259 0.030 2 183 25 25 ARG HD2 H 3.056 0.030 2 184 25 25 ARG HD3 H 3.016 0.030 2 185 25 25 ARG HG2 H 1.132 0.030 1 186 25 25 ARG HG3 H 1.132 0.030 1 187 25 25 ARG CA C 59.693 0.300 1 188 25 25 ARG CB C 29.253 0.300 1 189 25 25 ARG CD C 43.009 0.300 1 190 25 25 ARG CG C 27.386 0.300 1 191 26 26 SER HA H 4.092 0.030 1 192 26 26 SER HB2 H 3.873 0.030 2 193 26 26 SER HB3 H 3.817 0.030 2 194 26 26 SER C C 177.471 0.300 1 195 26 26 SER CA C 60.832 0.300 1 196 26 26 SER CB C 61.616 0.300 1 197 26 26 SER N N 120.568 0.300 1 198 27 27 HIS H H 6.799 0.030 1 199 27 27 HIS HA H 4.556 0.030 1 200 27 27 HIS HB2 H 3.360 0.030 2 201 27 27 HIS HB3 H 3.272 0.030 2 202 27 27 HIS HD2 H 6.972 0.030 1 203 27 27 HIS HE1 H 7.833 0.030 1 204 27 27 HIS C C 178.281 0.300 1 205 27 27 HIS CA C 56.589 0.300 1 206 27 27 HIS CB C 31.722 0.300 1 207 27 27 HIS CD2 C 116.737 0.300 1 208 27 27 HIS CE1 C 139.045 0.300 1 209 27 27 HIS N N 122.717 0.300 1 210 28 28 LEU H H 7.026 0.030 1 211 28 28 LEU HA H 3.249 0.030 1 212 28 28 LEU HB2 H 1.904 0.030 2 213 28 28 LEU HB3 H 1.273 0.030 2 214 28 28 LEU HD1 H 1.015 0.030 1 215 28 28 LEU HD2 H 1.006 0.030 1 216 28 28 LEU HG H 1.576 0.030 1 217 28 28 LEU C C 177.146 0.300 1 218 28 28 LEU CA C 57.742 0.300 1 219 28 28 LEU CB C 40.422 0.300 1 220 28 28 LEU CD1 C 26.512 0.300 2 221 28 28 LEU CD2 C 22.504 0.300 2 222 28 28 LEU CG C 27.293 0.300 1 223 28 28 LEU N N 121.528 0.300 1 224 29 29 ALA H H 8.188 0.030 1 225 29 29 ALA HA H 3.979 0.030 1 226 29 29 ALA HB H 1.396 0.030 1 227 29 29 ALA C C 180.981 0.300 1 228 29 29 ALA CA C 55.545 0.300 1 229 29 29 ALA CB C 17.763 0.300 1 230 29 29 ALA N N 120.526 0.300 1 231 30 30 GLY H H 7.724 0.030 1 232 30 30 GLY HA2 H 3.886 0.030 2 233 30 30 GLY HA3 H 3.785 0.030 2 234 30 30 GLY C C 175.878 0.300 1 235 30 30 GLY CA C 46.909 0.300 1 236 30 30 GLY N N 103.375 0.300 1 237 31 31 HIS H H 7.499 0.030 1 238 31 31 HIS HA H 4.195 0.030 1 239 31 31 HIS HB2 H 2.794 0.030 2 240 31 31 HIS HB3 H 3.167 0.030 2 241 31 31 HIS HD2 H 7.029 0.030 1 242 31 31 HIS HE1 H 8.017 0.030 1 243 31 31 HIS C C 176.680 0.300 1 244 31 31 HIS CA C 59.232 0.300 1 245 31 31 HIS CB C 28.775 0.300 1 246 31 31 HIS CD2 C 127.363 0.300 1 247 31 31 HIS CE1 C 139.481 0.300 1 248 31 31 HIS N N 122.268 0.300 1 249 32 32 LEU H H 8.464 0.030 1 250 32 32 LEU HA H 3.900 0.030 1 251 32 32 LEU HB2 H 1.914 0.030 2 252 32 32 LEU HB3 H 1.572 0.030 2 253 32 32 LEU HD1 H 1.024 0.030 1 254 32 32 LEU HD2 H 1.281 0.030 1 255 32 32 LEU HG H 2.004 0.030 1 256 32 32 LEU C C 179.964 0.300 1 257 32 32 LEU CA C 58.183 0.300 1 258 32 32 LEU CB C 41.777 0.300 1 259 32 32 LEU CD1 C 25.643 0.300 2 260 32 32 LEU CD2 C 24.653 0.300 2 261 32 32 LEU CG C 27.119 0.300 1 262 32 32 LEU N N 118.124 0.300 1 263 33 33 ARG H H 7.236 0.030 1 264 33 33 ARG HA H 4.097 0.030 1 265 33 33 ARG HB2 H 1.890 0.030 1 266 33 33 ARG HB3 H 1.890 0.030 1 267 33 33 ARG HD2 H 3.228 0.030 1 268 33 33 ARG HD3 H 3.228 0.030 1 269 33 33 ARG HG2 H 1.816 0.030 2 270 33 33 ARG HG3 H 1.673 0.030 2 271 33 33 ARG C C 178.375 0.300 1 272 33 33 ARG CA C 58.637 0.300 1 273 33 33 ARG CB C 29.760 0.300 1 274 33 33 ARG CD C 43.315 0.300 1 275 33 33 ARG CG C 27.575 0.300 1 276 33 33 ARG N N 117.491 0.300 1 277 34 34 LEU H H 7.702 0.030 1 278 34 34 LEU HA H 4.031 0.030 1 279 34 34 LEU HB2 H 1.418 0.030 2 280 34 34 LEU HB3 H 1.287 0.030 2 281 34 34 LEU HD1 H 0.823 0.030 1 282 34 34 LEU HD2 H 0.753 0.030 1 283 34 34 LEU HG H 1.585 0.030 1 284 34 34 LEU C C 178.952 0.300 1 285 34 34 LEU CA C 56.816 0.300 1 286 34 34 LEU CB C 40.886 0.300 1 287 34 34 LEU CD1 C 24.999 0.300 2 288 34 34 LEU CD2 C 22.995 0.300 2 289 34 34 LEU CG C 26.859 0.300 1 290 34 34 LEU N N 118.773 0.300 1 291 35 35 HIS H H 7.172 0.030 1 292 35 35 HIS HA H 4.721 0.030 1 293 35 35 HIS HB2 H 3.294 0.030 2 294 35 35 HIS HB3 H 3.126 0.030 2 295 35 35 HIS HD2 H 6.689 0.030 1 296 35 35 HIS HE1 H 8.025 0.030 1 297 35 35 HIS C C 175.730 0.300 1 298 35 35 HIS CA C 55.788 0.300 1 299 35 35 HIS CB C 28.787 0.300 1 300 35 35 HIS CD2 C 127.237 0.300 1 301 35 35 HIS CE1 C 139.786 0.300 1 302 35 35 HIS N N 115.314 0.300 1 303 36 36 SER H H 7.773 0.030 1 304 36 36 SER HA H 4.410 0.030 1 305 36 36 SER HB2 H 3.957 0.030 2 306 36 36 SER HB3 H 3.915 0.030 2 307 36 36 SER C C 175.092 0.300 1 308 36 36 SER CA C 59.320 0.300 1 309 36 36 SER CB C 63.614 0.300 1 310 36 36 SER N N 114.851 0.300 1 311 37 37 ARG H H 8.264 0.030 1 312 37 37 ARG HA H 4.340 0.030 1 313 37 37 ARG HB2 H 1.933 0.030 2 314 37 37 ARG HB3 H 1.816 0.030 2 315 37 37 ARG HD2 H 3.206 0.030 1 316 37 37 ARG HD3 H 3.206 0.030 1 317 37 37 ARG HG2 H 1.678 0.030 1 318 37 37 ARG HG3 H 1.678 0.030 1 319 37 37 ARG C C 176.804 0.300 1 320 37 37 ARG CA C 56.665 0.300 1 321 37 37 ARG CB C 30.544 0.300 1 322 37 37 ARG CD C 43.314 0.300 1 323 37 37 ARG CG C 27.119 0.300 1 324 37 37 ARG N N 122.680 0.300 1 325 38 38 GLU H H 8.236 0.030 1 326 38 38 GLU HA H 4.242 0.030 1 327 38 38 GLU HB2 H 2.056 0.030 2 328 38 38 GLU HB3 H 2.001 0.030 2 329 38 38 GLU HG2 H 2.332 0.030 2 330 38 38 GLU HG3 H 2.269 0.030 2 331 38 38 GLU C C 176.807 0.300 1 332 38 38 GLU CA C 56.861 0.300 1 333 38 38 GLU CB C 30.121 0.300 1 334 38 38 GLU CG C 36.279 0.300 1 335 38 38 GLU N N 120.831 0.300 1 336 39 39 LYS H H 8.214 0.030 1 337 39 39 LYS HA H 4.337 0.030 1 338 39 39 LYS HB2 H 1.887 0.030 2 339 39 39 LYS HB3 H 1.790 0.030 2 340 39 39 LYS HD2 H 1.684 0.030 1 341 39 39 LYS HD3 H 1.684 0.030 1 342 39 39 LYS HE2 H 2.992 0.030 1 343 39 39 LYS HE3 H 2.992 0.030 1 344 39 39 LYS HG2 H 1.487 0.030 2 345 39 39 LYS HG3 H 1.436 0.030 2 346 39 39 LYS C C 176.749 0.300 1 347 39 39 LYS CA C 56.498 0.300 1 348 39 39 LYS CB C 32.926 0.300 1 349 39 39 LYS CD C 29.030 0.300 1 350 39 39 LYS CE C 42.141 0.300 1 351 39 39 LYS CG C 24.688 0.300 1 352 39 39 LYS N N 121.436 0.300 1 353 40 40 SER H H 8.282 0.030 1 354 40 40 SER HA H 4.471 0.030 1 355 40 40 SER HB2 H 3.881 0.030 1 356 40 40 SER HB3 H 3.881 0.030 1 357 40 40 SER C C 174.618 0.300 1 358 40 40 SER CA C 58.313 0.300 1 359 40 40 SER CB C 63.713 0.300 1 360 40 40 SER N N 116.652 0.300 1 361 41 41 SER H H 8.315 0.030 1 362 41 41 SER HA H 4.505 0.030 1 363 41 41 SER HB2 H 3.879 0.030 1 364 41 41 SER HB3 H 3.879 0.030 1 365 41 41 SER C C 174.491 0.300 1 366 41 41 SER CA C 58.298 0.300 1 367 41 41 SER CB C 63.977 0.300 1 368 41 41 SER N N 117.808 0.300 1 369 42 42 GLY H H 8.209 0.030 1 370 42 42 GLY HA2 H 4.137 0.030 1 371 42 42 GLY HA3 H 4.137 0.030 1 372 42 42 GLY C C 171.766 0.300 1 373 42 42 GLY CA C 44.693 0.300 1 374 42 42 GLY N N 110.577 0.300 1 375 43 43 PRO HA H 4.477 0.030 1 376 43 43 PRO HB2 H 1.964 0.030 2 377 43 43 PRO HB3 H 2.291 0.030 2 378 43 43 PRO HD2 H 3.629 0.030 1 379 43 43 PRO HD3 H 3.629 0.030 1 380 43 43 PRO HG2 H 2.020 0.030 1 381 43 43 PRO HG3 H 2.020 0.030 1 382 43 43 PRO C C 177.379 0.300 1 383 43 43 PRO CA C 63.211 0.300 1 384 43 43 PRO CB C 32.181 0.300 1 385 43 43 PRO CD C 49.869 0.300 1 386 43 43 PRO CG C 27.141 0.300 1 387 44 44 SER H H 8.517 0.030 1 388 44 44 SER C C 174.661 0.300 1 389 44 44 SER CA C 58.543 0.300 1 390 44 44 SER CB C 64.118 0.300 1 391 44 44 SER N N 116.460 0.300 1 stop_ save_