data_10158 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 370-400) of human Zinc finger protein 473 ; _BMRB_accession_number 10158 _BMRB_flat_file_name bmr10158.str _Entry_type original _Submission_date 2007-12-19 _Accession_date 2007-12-20 _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" 196 "13C chemical shifts" 148 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-20 original author . stop_ _Original_release_date 2009-02-20 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 370-400) of human Zinc finger protein 473 ; _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 473' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Zinc finger protein 473' $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 free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSSGSSGAAKTTSECQECGK IFRHSSLLIEHQALHAGESG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 ALA 10 LYS 11 THR 12 THR 13 SER 14 GLU 15 CYS 16 GLN 17 GLU 18 CYS 19 GLY 20 LYS 21 ILE 22 PHE 23 ARG 24 HIS 25 SER 26 SER 27 LEU 28 LEU 29 ILE 30 GLU 31 HIS 32 GLN 33 ALA 34 LEU 35 HIS 36 ALA 37 GLY 38 GLU 39 SER 40 GLY 41 PRO 42 SER 43 SER 44 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-27 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 2EOU "Solution Structure Of The C2h2 Type Zinc Finger (Region 370- 400) Of Human Zinc Finger Protein 473" 100.00 44 100.00 100.00 2.43e-20 REF XP_009434351 "PREDICTED: zinc finger protein 473 [Pan troglodytes]" 70.45 871 100.00 100.00 1.91e-10 REF XP_009434352 "PREDICTED: zinc finger protein 473 [Pan troglodytes]" 70.45 871 100.00 100.00 1.91e-10 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 P070115-25 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 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 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 'Zinc finger protein 473' _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 7 7 GLY CA C 45.366 0.300 1 2 7 7 GLY HA3 H 3.975 0.030 1 3 7 7 GLY C C 173.840 0.300 1 4 7 7 GLY HA2 H 3.975 0.030 1 5 8 8 ALA N N 123.813 0.300 1 6 8 8 ALA H H 8.108 0.030 1 7 8 8 ALA CA C 52.400 0.300 1 8 8 8 ALA HA H 4.317 0.030 1 9 8 8 ALA CB C 19.299 0.300 1 10 8 8 ALA HB H 1.386 0.030 1 11 8 8 ALA C C 177.523 0.300 1 12 9 9 ALA N N 123.426 0.300 1 13 9 9 ALA H H 8.272 0.030 1 14 9 9 ALA CA C 52.433 0.300 1 15 9 9 ALA HA H 4.313 0.030 1 16 9 9 ALA CB C 19.254 0.300 1 17 9 9 ALA HB H 1.400 0.030 1 18 9 9 ALA C C 177.795 0.300 1 19 10 10 LYS N N 120.933 0.300 1 20 10 10 LYS H H 8.368 0.030 1 21 10 10 LYS CA C 56.323 0.300 1 22 10 10 LYS HA H 4.427 0.030 1 23 10 10 LYS CB C 33.105 0.300 1 24 10 10 LYS HB3 H 1.810 0.030 2 25 10 10 LYS CG C 24.824 0.300 1 26 10 10 LYS HG3 H 1.455 0.030 2 27 10 10 LYS CD C 29.100 0.300 1 28 10 10 LYS HD3 H 1.706 0.030 1 29 10 10 LYS CE C 42.163 0.300 1 30 10 10 LYS HE3 H 3.017 0.030 1 31 10 10 LYS C C 176.978 0.300 1 32 10 10 LYS HB2 H 1.905 0.030 2 33 10 10 LYS HD2 H 1.706 0.030 1 34 10 10 LYS HE2 H 3.017 0.030 1 35 10 10 LYS HG2 H 1.515 0.030 2 36 11 11 THR N N 114.437 0.300 1 37 11 11 THR H H 8.308 0.030 1 38 11 11 THR CA C 61.617 0.300 1 39 11 11 THR HA H 4.472 0.030 1 40 11 11 THR CB C 69.821 0.300 1 41 11 11 THR HB H 4.353 0.030 1 42 11 11 THR CG2 C 21.593 0.300 1 43 11 11 THR HG2 H 1.224 0.030 1 44 11 11 THR C C 174.562 0.300 1 45 12 12 THR N N 114.598 0.300 1 46 12 12 THR H H 7.915 0.030 1 47 12 12 THR CA C 61.451 0.300 1 48 12 12 THR HA H 4.492 0.030 1 49 12 12 THR CB C 70.427 0.300 1 50 12 12 THR HB H 4.202 0.030 1 51 12 12 THR CG2 C 22.047 0.300 1 52 12 12 THR HG2 H 1.165 0.030 1 53 12 12 THR C C 174.236 0.300 1 54 13 13 SER N N 117.902 0.300 1 55 13 13 SER H H 8.580 0.030 1 56 13 13 SER CA C 58.138 0.300 1 57 13 13 SER HA H 4.684 0.030 1 58 13 13 SER CB C 65.065 0.300 1 59 13 13 SER HB3 H 3.671 0.030 2 60 13 13 SER C C 172.108 0.300 1 61 13 13 SER HB2 H 3.815 0.030 2 62 14 14 GLU N N 124.193 0.300 1 63 14 14 GLU H H 8.386 0.030 1 64 14 14 GLU CA C 54.181 0.300 1 65 14 14 GLU HA H 5.048 0.030 1 66 14 14 GLU CB C 33.085 0.300 1 67 14 14 GLU HB3 H 1.770 0.030 2 68 14 14 GLU CG C 35.695 0.300 1 69 14 14 GLU HG3 H 1.875 0.030 2 70 14 14 GLU C C 175.059 0.300 1 71 14 14 GLU HB2 H 1.824 0.030 2 72 14 14 GLU HG2 H 1.950 0.030 2 73 15 15 CYS N N 126.927 0.300 1 74 15 15 CYS H H 9.263 0.030 1 75 15 15 CYS CA C 59.573 0.300 1 76 15 15 CYS HA H 4.562 0.030 1 77 15 15 CYS CB C 29.667 0.300 1 78 15 15 CYS HB3 H 3.358 0.030 2 79 15 15 CYS C C 177.427 0.300 1 80 15 15 CYS HB2 H 2.853 0.030 2 81 16 16 GLN N N 131.467 0.300 1 82 16 16 GLN H H 9.521 0.030 1 83 16 16 GLN CA C 57.973 0.300 1 84 16 16 GLN HA H 4.175 0.030 1 85 16 16 GLN CB C 28.562 0.300 1 86 16 16 GLN HB3 H 2.132 0.030 2 87 16 16 GLN CG C 34.198 0.300 1 88 16 16 GLN HG3 H 2.494 0.030 1 89 16 16 GLN NE2 N 113.062 0.300 1 90 16 16 GLN HE21 H 7.528 0.030 2 91 16 16 GLN HE22 H 6.970 0.030 2 92 16 16 GLN C C 176.140 0.300 1 93 16 16 GLN HB2 H 2.228 0.030 2 94 16 16 GLN HG2 H 2.494 0.030 1 95 17 17 GLU N N 120.316 0.300 1 96 17 17 GLU H H 8.682 0.030 1 97 17 17 GLU CA C 58.362 0.300 1 98 17 17 GLU HA H 4.233 0.030 1 99 17 17 GLU CB C 29.552 0.300 1 100 17 17 GLU HB3 H 1.436 0.030 1 101 17 17 GLU CG C 35.715 0.300 1 102 17 17 GLU HG3 H 1.807 0.030 2 103 17 17 GLU C C 177.303 0.300 1 104 17 17 GLU HB2 H 1.436 0.030 1 105 17 17 GLU HG2 H 1.921 0.030 2 106 18 18 CYS N N 114.810 0.300 1 107 18 18 CYS H H 8.042 0.030 1 108 18 18 CYS CA C 58.513 0.300 1 109 18 18 CYS HA H 5.154 0.030 1 110 18 18 CYS CB C 32.408 0.300 1 111 18 18 CYS HB3 H 3.424 0.030 2 112 18 18 CYS C C 176.323 0.300 1 113 18 18 CYS HB2 H 2.896 0.030 2 114 19 19 GLY N N 113.476 0.300 1 115 19 19 GLY H H 8.183 0.030 1 116 19 19 GLY CA C 46.149 0.300 1 117 19 19 GLY HA3 H 4.200 0.030 2 118 19 19 GLY C C 173.814 0.300 1 119 19 19 GLY HA2 H 3.921 0.030 2 120 20 20 LYS N N 122.183 0.300 1 121 20 20 LYS H H 7.830 0.030 1 122 20 20 LYS CA C 58.063 0.300 1 123 20 20 LYS HA H 3.979 0.030 1 124 20 20 LYS CB C 34.034 0.300 1 125 20 20 LYS HB3 H 1.168 0.030 2 126 20 20 LYS CG C 26.268 0.300 1 127 20 20 LYS HG3 H 0.978 0.030 2 128 20 20 LYS CD C 29.353 0.300 1 129 20 20 LYS HD3 H 1.426 0.030 2 130 20 20 LYS CE C 42.174 0.300 1 131 20 20 LYS HE3 H 2.885 0.030 2 132 20 20 LYS C C 174.133 0.300 1 133 20 20 LYS HB2 H 1.427 0.030 2 134 20 20 LYS HD2 H 1.508 0.030 2 135 20 20 LYS HE2 H 2.954 0.030 2 136 20 20 LYS HG2 H 1.405 0.030 2 137 21 21 ILE N N 120.927 0.300 1 138 21 21 ILE H H 7.770 0.030 1 139 21 21 ILE CA C 60.180 0.300 1 140 21 21 ILE HA H 4.452 0.030 1 141 21 21 ILE CB C 39.694 0.300 1 142 21 21 ILE HB H 1.508 0.030 1 143 21 21 ILE CG1 C 27.570 0.300 1 144 21 21 ILE HG13 H 0.960 0.030 2 145 21 21 ILE CG2 C 17.861 0.300 1 146 21 21 ILE HG2 H 0.758 0.030 1 147 21 21 ILE CD1 C 13.067 0.300 1 148 21 21 ILE HD1 H 0.773 0.030 1 149 21 21 ILE C C 175.461 0.300 1 150 21 21 ILE HG12 H 1.548 0.030 2 151 22 22 PHE N N 123.258 0.300 1 152 22 22 PHE H H 8.648 0.030 1 153 22 22 PHE CA C 56.828 0.300 1 154 22 22 PHE HA H 4.710 0.030 1 155 22 22 PHE CB C 43.452 0.300 1 156 22 22 PHE HB3 H 3.116 0.030 2 157 22 22 PHE CD1 C 132.144 0.300 1 158 22 22 PHE HD1 H 7.118 0.030 1 159 22 22 PHE CD2 C 132.144 0.300 1 160 22 22 PHE HD2 H 7.118 0.030 1 161 22 22 PHE CE1 C 130.611 0.300 1 162 22 22 PHE HE1 H 6.807 0.030 1 163 22 22 PHE CE2 C 130.611 0.300 1 164 22 22 PHE HE2 H 6.807 0.030 1 165 22 22 PHE CZ C 128.509 0.300 1 166 22 22 PHE HZ H 6.083 0.030 1 167 22 22 PHE C C 176.151 0.300 1 168 22 22 PHE HB2 H 2.650 0.030 2 169 23 23 ARG N N 119.153 0.300 1 170 23 23 ARG H H 9.094 0.030 1 171 23 23 ARG CA C 57.288 0.300 1 172 23 23 ARG HA H 4.241 0.030 1 173 23 23 ARG CB C 30.571 0.300 1 174 23 23 ARG HB3 H 1.813 0.030 1 175 23 23 ARG CG C 27.439 0.300 1 176 23 23 ARG HG3 H 1.617 0.030 1 177 23 23 ARG CD C 43.132 0.300 1 178 23 23 ARG HD3 H 3.206 0.030 1 179 23 23 ARG C C 174.928 0.300 1 180 23 23 ARG HB2 H 1.813 0.030 1 181 23 23 ARG HD2 H 3.206 0.030 1 182 23 23 ARG HG2 H 1.617 0.030 1 183 24 24 HIS N N 113.877 0.300 1 184 24 24 HIS H H 7.141 0.030 1 185 24 24 HIS CA C 56.129 0.300 1 186 24 24 HIS HA H 4.863 0.030 1 187 24 24 HIS CB C 34.501 0.300 1 188 24 24 HIS HB3 H 3.068 0.030 2 189 24 24 HIS CD2 C 119.474 0.300 1 190 24 24 HIS HD2 H 7.187 0.030 1 191 24 24 HIS CE1 C 139.063 0.300 1 192 24 24 HIS HE1 H 7.846 0.030 1 193 24 24 HIS C C 176.303 0.300 1 194 24 24 HIS HB2 H 3.098 0.030 2 195 25 25 SER CA C 61.779 0.300 1 196 25 25 SER HA H 4.060 0.030 1 197 25 25 SER CB C 62.462 0.300 1 198 25 25 SER HB3 H 3.937 0.030 2 199 25 25 SER HB2 H 3.863 0.030 2 200 26 26 SER N N 119.893 0.300 1 201 26 26 SER H H 9.650 0.030 1 202 26 26 SER CA C 61.866 0.300 1 203 26 26 SER HA H 3.950 0.030 1 204 26 26 SER CB C 61.788 0.300 1 205 26 26 SER HB3 H 4.067 0.030 2 206 26 26 SER C C 176.964 0.300 1 207 26 26 SER HB2 H 4.147 0.030 2 208 27 27 LEU N N 121.674 0.300 1 209 27 27 LEU H H 7.141 0.030 1 210 27 27 LEU CA C 56.669 0.300 1 211 27 27 LEU HA H 4.170 0.030 1 212 27 27 LEU CB C 41.962 0.300 1 213 27 27 LEU HB3 H 2.028 0.030 2 214 27 27 LEU CG C 27.491 0.300 1 215 27 27 LEU HG H 1.746 0.030 1 216 27 27 LEU CD1 C 26.348 0.300 2 217 27 27 LEU HD1 H 1.195 0.030 1 218 27 27 LEU CD2 C 22.508 0.300 2 219 27 27 LEU HD2 H 0.975 0.030 1 220 27 27 LEU C C 179.312 0.300 1 221 27 27 LEU HB2 H 1.681 0.030 2 222 28 28 LEU N N 121.976 0.300 1 223 28 28 LEU H H 7.075 0.030 1 224 28 28 LEU CA C 57.616 0.300 1 225 28 28 LEU HA H 3.216 0.030 1 226 28 28 LEU CB C 40.475 0.300 1 227 28 28 LEU HB3 H 2.055 0.030 2 228 28 28 LEU CG C 27.408 0.300 1 229 28 28 LEU HG H 1.487 0.030 1 230 28 28 LEU CD1 C 23.170 0.300 2 231 28 28 LEU HD1 H 0.945 0.030 1 232 28 28 LEU CD2 C 25.965 0.300 2 233 28 28 LEU HD2 H 0.901 0.030 1 234 28 28 LEU C C 177.651 0.300 1 235 28 28 LEU HB2 H 1.210 0.030 2 236 29 29 ILE N N 119.789 0.300 1 237 29 29 ILE H H 7.956 0.030 1 238 29 29 ILE CA C 64.818 0.300 1 239 29 29 ILE HA H 3.770 0.030 1 240 29 29 ILE CB C 37.729 0.300 1 241 29 29 ILE HB H 1.869 0.030 1 242 29 29 ILE CG1 C 29.114 0.300 1 243 29 29 ILE HG13 H 1.236 0.030 2 244 29 29 ILE CG2 C 17.169 0.300 1 245 29 29 ILE HG2 H 0.920 0.030 1 246 29 29 ILE CD1 C 12.543 0.300 1 247 29 29 ILE HD1 H 0.835 0.030 1 248 29 29 ILE C C 179.269 0.300 1 249 29 29 ILE HG12 H 1.629 0.030 2 250 30 30 GLU N N 119.089 0.300 1 251 30 30 GLU H H 7.425 0.030 1 252 30 30 GLU CA C 59.239 0.300 1 253 30 30 GLU HA H 4.030 0.030 1 254 30 30 GLU CB C 29.976 0.300 1 255 30 30 GLU HB3 H 2.035 0.030 1 256 30 30 GLU CG C 36.260 0.300 1 257 30 30 GLU HG3 H 2.410 0.030 2 258 30 30 GLU C C 178.534 0.300 1 259 30 30 GLU HB2 H 2.035 0.030 1 260 30 30 GLU HG2 H 2.226 0.030 2 261 31 31 HIS N N 118.679 0.300 1 262 31 31 HIS H H 7.493 0.030 1 263 31 31 HIS CA C 58.956 0.300 1 264 31 31 HIS HA H 4.224 0.030 1 265 31 31 HIS CB C 28.605 0.300 1 266 31 31 HIS HB3 H 2.878 0.030 2 267 31 31 HIS CD2 C 127.440 0.300 1 268 31 31 HIS HD2 H 6.980 0.030 1 269 31 31 HIS CE1 C 139.351 0.300 1 270 31 31 HIS HE1 H 8.036 0.030 1 271 31 31 HIS C C 176.314 0.300 1 272 31 31 HIS HB2 H 3.157 0.030 2 273 32 32 GLN N N 116.911 0.300 1 274 32 32 GLN H H 8.454 0.030 1 275 32 32 GLN CA C 59.194 0.300 1 276 32 32 GLN HA H 3.772 0.030 1 277 32 32 GLN CB C 28.057 0.300 1 278 32 32 GLN HB3 H 2.155 0.030 2 279 32 32 GLN CG C 35.070 0.300 1 280 32 32 GLN HG3 H 2.734 0.030 2 281 32 32 GLN NE2 N 111.562 0.300 1 282 32 32 GLN HE21 H 7.514 0.030 2 283 32 32 GLN HE22 H 6.937 0.030 2 284 32 32 GLN C C 178.135 0.300 1 285 32 32 GLN HB2 H 2.326 0.030 2 286 32 32 GLN HG2 H 2.787 0.030 2 287 33 33 ALA N N 121.580 0.300 1 288 33 33 ALA H H 7.279 0.030 1 289 33 33 ALA CA C 54.593 0.300 1 290 33 33 ALA HA H 4.163 0.030 1 291 33 33 ALA CB C 18.182 0.300 1 292 33 33 ALA HB H 1.468 0.030 1 293 33 33 ALA C C 179.581 0.300 1 294 34 34 LEU N N 117.524 0.300 1 295 34 34 LEU H H 7.733 0.030 1 296 34 34 LEU CA C 56.653 0.300 1 297 34 34 LEU HA H 4.058 0.030 1 298 34 34 LEU CB C 41.217 0.300 1 299 34 34 LEU HB3 H 1.221 0.030 2 300 34 34 LEU CG C 26.828 0.300 1 301 34 34 LEU HG H 1.594 0.030 1 302 34 34 LEU CD1 C 24.943 0.300 2 303 34 34 LEU HD1 H 0.847 0.030 1 304 34 34 LEU CD2 C 23.337 0.300 2 305 34 34 LEU HD2 H 0.776 0.030 1 306 34 34 LEU C C 179.011 0.300 1 307 34 34 LEU HB2 H 1.388 0.030 2 308 35 35 HIS N N 115.390 0.300 1 309 35 35 HIS H H 7.175 0.030 1 310 35 35 HIS CA C 55.525 0.300 1 311 35 35 HIS HA H 4.738 0.030 1 312 35 35 HIS CB C 28.715 0.300 1 313 35 35 HIS HB3 H 3.113 0.030 2 314 35 35 HIS CD2 C 127.087 0.300 1 315 35 35 HIS HD2 H 6.679 0.030 1 316 35 35 HIS CE1 C 139.768 0.300 1 317 35 35 HIS HE1 H 8.026 0.030 1 318 35 35 HIS C C 175.385 0.300 1 319 35 35 HIS HB2 H 3.326 0.030 2 320 36 36 ALA N N 122.651 0.300 1 321 36 36 ALA H H 7.634 0.030 1 322 36 36 ALA CA C 53.281 0.300 1 323 36 36 ALA HA H 4.328 0.030 1 324 36 36 ALA CB C 19.154 0.300 1 325 36 36 ALA HB H 1.459 0.030 1 326 36 36 ALA C C 178.273 0.300 1 327 37 37 GLY N N 107.266 0.300 1 328 37 37 GLY H H 8.163 0.030 1 329 37 37 GLY CA C 45.358 0.300 1 330 37 37 GLY HA3 H 3.964 0.030 2 331 37 37 GLY C C 174.369 0.300 1 332 37 37 GLY HA2 H 4.027 0.030 2 333 38 38 GLU N N 120.486 0.300 1 334 38 38 GLU H H 8.160 0.030 1 335 38 38 GLU CA C 56.658 0.300 1 336 38 38 GLU HA H 4.357 0.030 1 337 38 38 GLU CB C 30.381 0.300 1 338 38 38 GLU HB3 H 2.002 0.030 2 339 38 38 GLU CG C 36.232 0.300 1 340 38 38 GLU HG3 H 2.286 0.030 2 341 38 38 GLU C C 176.730 0.300 1 342 38 38 GLU HB2 H 2.113 0.030 2 343 38 38 GLU HG2 H 2.310 0.030 2 344 39 39 SER N N 116.555 0.300 1 345 39 39 SER H H 8.391 0.030 1 346 39 39 SER CA C 58.397 0.300 1 347 39 39 SER HA H 4.515 0.030 1 348 39 39 SER CB C 63.960 0.300 1 349 39 39 SER HB3 H 3.898 0.030 1 350 39 39 SER C C 174.602 0.300 1 351 39 39 SER HB2 H 3.898 0.030 1 352 40 40 GLY N N 110.681 0.300 1 353 40 40 GLY H H 8.239 0.030 1 354 40 40 GLY CA C 44.666 0.300 1 355 40 40 GLY HA3 H 4.087 0.030 2 356 40 40 GLY C C 171.769 0.300 1 357 40 40 GLY HA2 H 4.185 0.030 2 358 41 41 PRO CA C 63.229 0.300 1 359 41 41 PRO HA H 4.489 0.030 1 360 41 41 PRO CB C 32.192 0.300 1 361 41 41 PRO HB3 H 2.300 0.030 2 362 41 41 PRO CG C 27.196 0.300 1 363 41 41 PRO HG3 H 2.022 0.030 1 364 41 41 PRO CD C 49.782 0.300 1 365 41 41 PRO HD3 H 3.635 0.030 1 366 41 41 PRO C C 177.375 0.300 1 367 41 41 PRO HB2 H 1.984 0.030 2 368 41 41 PRO HD2 H 3.635 0.030 1 369 41 41 PRO HG2 H 2.022 0.030 1 370 42 42 SER N N 116.504 0.300 1 371 42 42 SER H H 8.544 0.030 1 372 42 42 SER CA C 58.364 0.300 1 373 42 42 SER HA H 4.470 0.030 1 374 42 42 SER CB C 64.062 0.300 1 375 42 42 SER HB3 H 3.875 0.030 2 376 42 42 SER C C 174.704 0.300 1 377 42 42 SER HB2 H 3.875 0.030 2 378 43 43 SER N N 117.992 0.300 1 379 43 43 SER H H 8.358 0.030 1 380 43 43 SER C C 173.921 0.300 1 stop_ save_