data_10307 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 426-458) of human Zinc finger protein 473 ; _BMRB_accession_number 10307 _BMRB_flat_file_name bmr10307.str _Entry_type new _Submission_date 2009-03-10 _Accession_date 2009-03-10 _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 Tomizawa T. . . 2 Tochio N. . . 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" 212 "13C chemical shifts" 158 "15N chemical shifts" 29 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 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 426-458) 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 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 other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSGEKPYKCSECGK AFHRHTHLNEHRRIHTGYRP 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 PRO 13 TYR 14 LYS 15 CYS 16 SER 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 HIS 24 ARG 25 HIS 26 THR 27 HIS 28 LEU 29 ASN 30 GLU 31 HIS 32 ARG 33 ARG 34 ILE 35 HIS 36 THR 37 GLY 38 TYR 39 ARG 40 PRO 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 2YTD "Solution Structure Of The C2h2 Type Zinc Finger (Region 426- 458) Of Human Zinc Finger Protein 473" 100.00 46 100.00 100.00 1.26e-22 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 no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ ######################################## # 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 P070115-57 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 '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 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 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 9 9 GLY HA2 H 3.924 0.030 1 2 9 9 GLY HA3 H 3.924 0.030 1 3 9 9 GLY C C 174.059 0.300 1 4 9 9 GLY CA C 45.201 0.300 1 5 10 10 GLU H H 8.196 0.030 1 6 10 10 GLU HA H 4.143 0.030 1 7 10 10 GLU HB2 H 1.929 0.030 2 8 10 10 GLU HB3 H 1.863 0.030 2 9 10 10 GLU HG2 H 2.191 0.030 2 10 10 10 GLU HG3 H 2.154 0.030 2 11 10 10 GLU C C 176.208 0.300 1 12 10 10 GLU CA C 56.664 0.300 1 13 10 10 GLU CB C 30.318 0.300 1 14 10 10 GLU CG C 36.156 0.300 1 15 10 10 GLU N N 120.402 0.300 1 16 11 11 LYS H H 8.272 0.030 1 17 11 11 LYS HA H 4.356 0.030 1 18 11 11 LYS HB2 H 1.404 0.030 2 19 11 11 LYS HB3 H 1.214 0.030 2 20 11 11 LYS HD2 H 1.263 0.030 1 21 11 11 LYS HD3 H 1.263 0.030 1 22 11 11 LYS HE2 H 2.711 0.030 1 23 11 11 LYS HE3 H 2.711 0.030 1 24 11 11 LYS HG2 H 1.061 0.030 2 25 11 11 LYS HG3 H 0.474 0.030 2 26 11 11 LYS C C 174.148 0.300 1 27 11 11 LYS CA C 53.887 0.300 1 28 11 11 LYS CB C 33.075 0.300 1 29 11 11 LYS CD C 29.499 0.300 1 30 11 11 LYS CE C 42.103 0.300 1 31 11 11 LYS CG C 24.613 0.300 1 32 11 11 LYS N N 122.023 0.300 1 33 12 12 PRO HA H 4.198 0.030 1 34 12 12 PRO HB2 H 1.937 0.030 2 35 12 12 PRO HB3 H 1.111 0.030 2 36 12 12 PRO HD2 H 3.724 0.030 2 37 12 12 PRO HD3 H 3.661 0.030 2 38 12 12 PRO HG2 H 1.756 0.030 2 39 12 12 PRO HG3 H 1.516 0.030 2 40 12 12 PRO C C 176.591 0.300 1 41 12 12 PRO CA C 63.566 0.300 1 42 12 12 PRO CB C 32.225 0.300 1 43 12 12 PRO CD C 50.457 0.300 1 44 12 12 PRO CG C 26.569 0.300 1 45 13 13 TYR H H 7.625 0.030 1 46 13 13 TYR HA H 4.596 0.030 1 47 13 13 TYR HB2 H 2.910 0.030 2 48 13 13 TYR HB3 H 2.736 0.030 2 49 13 13 TYR HD1 H 6.924 0.030 1 50 13 13 TYR HD2 H 6.924 0.030 1 51 13 13 TYR HE1 H 6.825 0.030 1 52 13 13 TYR HE2 H 6.825 0.030 1 53 13 13 TYR C C 174.457 0.300 1 54 13 13 TYR CA C 57.457 0.300 1 55 13 13 TYR CB C 38.416 0.300 1 56 13 13 TYR CD1 C 133.109 0.300 1 57 13 13 TYR CD2 C 133.109 0.300 1 58 13 13 TYR CE1 C 118.496 0.300 1 59 13 13 TYR CE2 C 118.496 0.300 1 60 13 13 TYR N N 117.922 0.300 1 61 14 14 LYS H H 8.616 0.030 1 62 14 14 LYS HA H 4.909 0.030 1 63 14 14 LYS HB2 H 1.566 0.030 1 64 14 14 LYS HB3 H 1.566 0.030 1 65 14 14 LYS HD2 H 1.530 0.030 1 66 14 14 LYS HD3 H 1.530 0.030 1 67 14 14 LYS HE2 H 2.871 0.030 1 68 14 14 LYS HE3 H 2.871 0.030 1 69 14 14 LYS HG2 H 1.132 0.030 1 70 14 14 LYS HG3 H 1.132 0.030 1 71 14 14 LYS C C 175.474 0.300 1 72 14 14 LYS CA C 55.076 0.300 1 73 14 14 LYS CB C 35.240 0.300 1 74 14 14 LYS CD C 29.319 0.300 1 75 14 14 LYS CE C 41.985 0.300 1 76 14 14 LYS CG C 24.885 0.300 1 77 14 14 LYS N N 124.826 0.300 1 78 15 15 CYS H H 9.266 0.030 1 79 15 15 CYS HA H 4.472 0.030 1 80 15 15 CYS HB2 H 2.817 0.030 2 81 15 15 CYS HB3 H 3.352 0.030 2 82 15 15 CYS C C 177.463 0.300 1 83 15 15 CYS CA C 59.840 0.300 1 84 15 15 CYS CB C 29.647 0.300 1 85 15 15 CYS N N 127.217 0.300 1 86 16 16 SER HA H 4.179 0.030 1 87 16 16 SER HB2 H 3.991 0.030 2 88 16 16 SER HB3 H 3.946 0.030 2 89 16 16 SER C C 174.495 0.300 1 90 16 16 SER CA C 60.890 0.300 1 91 16 16 SER CB C 62.984 0.300 1 92 17 17 GLU H H 8.723 0.030 1 93 17 17 GLU HA H 4.185 0.030 1 94 17 17 GLU HB2 H 1.235 0.030 1 95 17 17 GLU HB3 H 1.235 0.030 1 96 17 17 GLU HG2 H 1.847 0.030 2 97 17 17 GLU HG3 H 1.784 0.030 2 98 17 17 GLU C C 177.100 0.300 1 99 17 17 GLU CA C 58.351 0.300 1 100 17 17 GLU CB C 29.420 0.300 1 101 17 17 GLU CG C 36.270 0.300 1 102 17 17 GLU N N 123.086 0.300 1 103 18 18 CYS H H 7.900 0.030 1 104 18 18 CYS HA H 5.118 0.030 1 105 18 18 CYS HB2 H 3.381 0.030 2 106 18 18 CYS HB3 H 2.796 0.030 2 107 18 18 CYS C C 176.194 0.300 1 108 18 18 CYS CA C 58.313 0.300 1 109 18 18 CYS CB C 32.480 0.300 1 110 18 18 CYS N N 114.925 0.300 1 111 19 19 GLY H H 8.073 0.030 1 112 19 19 GLY HA2 H 4.188 0.030 2 113 19 19 GLY HA3 H 3.722 0.030 2 114 19 19 GLY C C 173.605 0.300 1 115 19 19 GLY CA C 46.140 0.300 1 116 19 19 GLY N N 113.100 0.300 1 117 20 20 LYS H H 7.972 0.030 1 118 20 20 LYS HA H 3.856 0.030 1 119 20 20 LYS HB2 H 1.373 0.030 2 120 20 20 LYS HB3 H 1.119 0.030 2 121 20 20 LYS HD2 H 1.377 0.030 2 122 20 20 LYS HD3 H 1.458 0.030 2 123 20 20 LYS HE2 H 2.906 0.030 2 124 20 20 LYS HE3 H 2.846 0.030 2 125 20 20 LYS HG2 H 0.986 0.030 2 126 20 20 LYS HG3 H 1.323 0.030 2 127 20 20 LYS C C 173.608 0.300 1 128 20 20 LYS CA C 58.326 0.300 1 129 20 20 LYS CB C 33.462 0.300 1 130 20 20 LYS CD C 29.268 0.300 1 131 20 20 LYS CE C 42.113 0.300 1 132 20 20 LYS CG C 26.172 0.300 1 133 20 20 LYS N N 123.405 0.300 1 134 21 21 ALA H H 7.747 0.030 1 135 21 21 ALA HA H 5.134 0.030 1 136 21 21 ALA HB H 1.114 0.030 1 137 21 21 ALA C C 176.007 0.300 1 138 21 21 ALA CA C 50.225 0.300 1 139 21 21 ALA CB C 22.464 0.300 1 140 21 21 ALA N N 124.326 0.300 1 141 22 22 PHE H H 8.710 0.030 1 142 22 22 PHE HA H 4.662 0.030 1 143 22 22 PHE HB2 H 3.527 0.030 2 144 22 22 PHE HB3 H 2.648 0.030 2 145 22 22 PHE HD1 H 7.232 0.030 1 146 22 22 PHE HD2 H 7.232 0.030 1 147 22 22 PHE HE1 H 6.790 0.030 1 148 22 22 PHE HE2 H 6.790 0.030 1 149 22 22 PHE HZ H 6.237 0.030 1 150 22 22 PHE C C 175.200 0.300 1 151 22 22 PHE CA C 57.256 0.300 1 152 22 22 PHE CB C 44.103 0.300 1 153 22 22 PHE CD1 C 132.393 0.300 1 154 22 22 PHE CD2 C 132.393 0.300 1 155 22 22 PHE CE1 C 130.654 0.300 1 156 22 22 PHE CE2 C 130.654 0.300 1 157 22 22 PHE CZ C 128.820 0.300 1 158 22 22 PHE N N 116.126 0.300 1 159 23 23 HIS H H 9.458 0.030 1 160 23 23 HIS HA H 4.799 0.030 1 161 23 23 HIS HB2 H 3.287 0.030 1 162 23 23 HIS HB3 H 3.287 0.030 1 163 23 23 HIS HD2 H 7.129 0.030 1 164 23 23 HIS HE1 H 7.718 0.030 1 165 23 23 HIS C C 175.476 0.300 1 166 23 23 HIS CA C 59.189 0.300 1 167 23 23 HIS CB C 31.948 0.300 1 168 23 23 HIS CD2 C 121.259 0.300 1 169 23 23 HIS CE1 C 138.795 0.300 1 170 23 23 HIS N N 119.423 0.300 1 171 24 24 ARG H H 7.458 0.030 1 172 24 24 ARG HA H 4.748 0.030 1 173 24 24 ARG HB2 H 1.623 0.030 2 174 24 24 ARG HB3 H 0.852 0.030 2 175 24 24 ARG HD2 H 2.905 0.030 2 176 24 24 ARG HD3 H 2.975 0.030 2 177 24 24 ARG HG2 H 1.420 0.030 1 178 24 24 ARG HG3 H 1.420 0.030 1 179 24 24 ARG C C 176.296 0.300 1 180 24 24 ARG CA C 53.889 0.300 1 181 24 24 ARG CB C 33.283 0.300 1 182 24 24 ARG CD C 43.078 0.300 1 183 24 24 ARG CG C 26.938 0.300 1 184 24 24 ARG N N 113.387 0.300 1 185 25 25 HIS HA H 3.237 0.030 1 186 25 25 HIS HB2 H 2.543 0.030 2 187 25 25 HIS HB3 H 2.452 0.030 2 188 25 25 HIS HD2 H 6.743 0.030 1 189 25 25 HIS HE1 H 7.824 0.030 1 190 25 25 HIS CA C 59.639 0.300 1 191 25 25 HIS CB C 29.890 0.300 1 192 25 25 HIS CD2 C 119.362 0.300 1 193 25 25 HIS CE1 C 138.881 0.300 1 194 26 26 THR HA H 3.744 0.030 1 195 26 26 THR HB H 3.952 0.030 1 196 26 26 THR HG2 H 1.021 0.030 1 197 26 26 THR C C 176.782 0.300 1 198 26 26 THR CA C 64.444 0.300 1 199 26 26 THR CB C 67.737 0.300 1 200 26 26 THR CG2 C 22.218 0.300 1 201 27 27 HIS H H 6.473 0.030 1 202 27 27 HIS HA H 4.339 0.030 1 203 27 27 HIS HB2 H 3.150 0.030 2 204 27 27 HIS HB3 H 3.269 0.030 2 205 27 27 HIS HD2 H 6.913 0.030 1 206 27 27 HIS HE1 H 7.621 0.030 1 207 27 27 HIS C C 178.405 0.300 1 208 27 27 HIS CA C 57.028 0.300 1 209 27 27 HIS CB C 31.602 0.300 1 210 27 27 HIS CD2 C 117.004 0.300 1 211 27 27 HIS CE1 C 138.463 0.300 1 212 27 27 HIS N N 120.051 0.300 1 213 28 28 LEU H H 6.955 0.030 1 214 28 28 LEU HA H 3.182 0.030 1 215 28 28 LEU HB2 H 1.845 0.030 2 216 28 28 LEU HB3 H 1.198 0.030 2 217 28 28 LEU HD1 H 0.973 0.030 1 218 28 28 LEU HD2 H 0.978 0.030 1 219 28 28 LEU HG H 1.419 0.030 1 220 28 28 LEU C C 177.293 0.300 1 221 28 28 LEU CA C 57.672 0.300 1 222 28 28 LEU CB C 40.058 0.300 1 223 28 28 LEU CD1 C 26.500 0.300 2 224 28 28 LEU CD2 C 22.538 0.300 2 225 28 28 LEU CG C 27.681 0.300 1 226 28 28 LEU N N 121.354 0.300 1 227 29 29 ASN H H 8.042 0.030 1 228 29 29 ASN HA H 4.188 0.030 1 229 29 29 ASN HB2 H 2.671 0.030 2 230 29 29 ASN HB3 H 2.592 0.030 2 231 29 29 ASN HD21 H 6.577 0.030 2 232 29 29 ASN HD22 H 7.530 0.030 2 233 29 29 ASN C C 177.876 0.300 1 234 29 29 ASN CA C 56.225 0.300 1 235 29 29 ASN CB C 37.560 0.300 1 236 29 29 ASN N N 117.982 0.300 1 237 29 29 ASN ND2 N 111.475 0.300 1 238 30 30 GLU H H 7.722 0.030 1 239 30 30 GLU HA H 3.876 0.030 1 240 30 30 GLU HB2 H 1.924 0.030 1 241 30 30 GLU HB3 H 1.924 0.030 1 242 30 30 GLU HG2 H 2.280 0.030 2 243 30 30 GLU HG3 H 2.194 0.030 2 244 30 30 GLU C C 178.808 0.300 1 245 30 30 GLU CA C 58.885 0.300 1 246 30 30 GLU CB C 29.532 0.300 1 247 30 30 GLU CG C 35.950 0.300 1 248 30 30 GLU N N 118.536 0.300 1 249 31 31 HIS H H 7.592 0.030 1 250 31 31 HIS HA H 4.155 0.030 1 251 31 31 HIS HB2 H 3.091 0.030 2 252 31 31 HIS HB3 H 2.862 0.030 2 253 31 31 HIS HD2 H 6.901 0.030 1 254 31 31 HIS HE1 H 7.971 0.030 1 255 31 31 HIS C C 176.165 0.300 1 256 31 31 HIS CA C 59.027 0.300 1 257 31 31 HIS CB C 28.558 0.300 1 258 31 31 HIS CD2 C 127.151 0.300 1 259 31 31 HIS CE1 C 139.652 0.300 1 260 31 31 HIS N N 119.505 0.300 1 261 32 32 ARG H H 8.184 0.030 1 262 32 32 ARG HA H 3.576 0.030 1 263 32 32 ARG HB2 H 1.942 0.030 2 264 32 32 ARG HB3 H 1.861 0.030 2 265 32 32 ARG HD2 H 3.332 0.030 2 266 32 32 ARG HD3 H 3.238 0.030 2 267 32 32 ARG HG2 H 2.051 0.030 1 268 32 32 ARG HG3 H 2.051 0.030 1 269 32 32 ARG C C 177.327 0.300 1 270 32 32 ARG CA C 59.787 0.300 1 271 32 32 ARG CB C 29.919 0.300 1 272 32 32 ARG CD C 43.641 0.300 1 273 32 32 ARG CG C 28.689 0.300 1 274 32 32 ARG N N 115.136 0.300 1 275 33 33 ARG H H 6.990 0.030 1 276 33 33 ARG HA H 3.954 0.030 1 277 33 33 ARG HB2 H 1.667 0.030 2 278 33 33 ARG HB3 H 1.759 0.030 2 279 33 33 ARG HD2 H 3.075 0.030 1 280 33 33 ARG HD3 H 3.075 0.030 1 281 33 33 ARG HG2 H 1.718 0.030 2 282 33 33 ARG HG3 H 1.521 0.030 2 283 33 33 ARG C C 178.254 0.300 1 284 33 33 ARG CA C 58.371 0.300 1 285 33 33 ARG CB C 30.087 0.300 1 286 33 33 ARG CD C 43.519 0.300 1 287 33 33 ARG CG C 27.370 0.300 1 288 33 33 ARG N N 117.022 0.300 1 289 34 34 ILE H H 7.694 0.030 1 290 34 34 ILE HA H 3.956 0.030 1 291 34 34 ILE HB H 1.650 0.030 1 292 34 34 ILE HD1 H 0.628 0.030 1 293 34 34 ILE HG12 H 0.854 0.030 2 294 34 34 ILE HG13 H 0.613 0.030 2 295 34 34 ILE HG2 H 0.518 0.030 1 296 34 34 ILE C C 177.149 0.300 1 297 34 34 ILE CA C 62.804 0.300 1 298 34 34 ILE CB C 37.699 0.300 1 299 34 34 ILE CD1 C 14.421 0.300 1 300 34 34 ILE CG1 C 26.291 0.300 1 301 34 34 ILE CG2 C 16.429 0.300 1 302 34 34 ILE N N 115.313 0.300 1 303 35 35 HIS H H 7.264 0.030 1 304 35 35 HIS HA H 4.859 0.030 1 305 35 35 HIS HB2 H 3.151 0.030 2 306 35 35 HIS HB3 H 3.292 0.030 2 307 35 35 HIS HD2 H 6.649 0.030 1 308 35 35 HIS HE1 H 8.012 0.030 1 309 35 35 HIS C C 175.464 0.300 1 310 35 35 HIS CA C 54.893 0.300 1 311 35 35 HIS CB C 28.543 0.300 1 312 35 35 HIS CD2 C 127.568 0.300 1 313 35 35 HIS CE1 C 140.073 0.300 1 314 35 35 HIS N N 118.417 0.300 1 315 36 36 THR H H 7.871 0.030 1 316 36 36 THR HA H 4.268 0.030 1 317 36 36 THR HB H 4.226 0.030 1 318 36 36 THR HG2 H 1.177 0.030 1 319 36 36 THR C C 175.331 0.300 1 320 36 36 THR CA C 62.564 0.300 1 321 36 36 THR CB C 69.679 0.300 1 322 36 36 THR CG2 C 21.483 0.300 1 323 36 36 THR N N 112.783 0.300 1 324 37 37 GLY H H 8.329 0.030 1 325 37 37 GLY HA2 H 3.907 0.030 1 326 37 37 GLY HA3 H 3.907 0.030 1 327 37 37 GLY C C 173.707 0.300 1 328 37 37 GLY CA C 45.142 0.300 1 329 37 37 GLY N N 110.825 0.300 1 330 38 38 TYR H H 7.904 0.030 1 331 38 38 TYR HA H 4.399 0.030 1 332 38 38 TYR HB2 H 2.964 0.030 2 333 38 38 TYR HB3 H 2.814 0.030 2 334 38 38 TYR HD1 H 6.995 0.030 1 335 38 38 TYR HD2 H 6.995 0.030 1 336 38 38 TYR HE1 H 6.726 0.030 1 337 38 38 TYR HE2 H 6.726 0.030 1 338 38 38 TYR C C 175.165 0.300 1 339 38 38 TYR CA C 58.302 0.300 1 340 38 38 TYR CB C 38.780 0.300 1 341 38 38 TYR CD1 C 133.084 0.300 1 342 38 38 TYR CD2 C 133.084 0.300 1 343 38 38 TYR CE1 C 118.026 0.300 1 344 38 38 TYR CE2 C 118.026 0.300 1 345 38 38 TYR N N 120.687 0.300 1 346 39 39 ARG H H 7.979 0.030 1 347 39 39 ARG HA H 4.470 0.030 1 348 39 39 ARG HB2 H 1.550 0.030 2 349 39 39 ARG HB3 H 1.659 0.030 2 350 39 39 ARG C C 173.300 0.300 1 351 39 39 ARG CA C 53.033 0.300 1 352 39 39 ARG CB C 30.739 0.300 1 353 39 39 ARG N N 126.228 0.300 1 354 40 40 PRO HA H 4.283 0.030 1 355 40 40 PRO HB2 H 2.252 0.030 2 356 40 40 PRO HB3 H 1.891 0.030 2 357 40 40 PRO HD2 H 3.506 0.030 2 358 40 40 PRO HD3 H 3.442 0.030 2 359 40 40 PRO HG2 H 1.922 0.030 1 360 40 40 PRO HG3 H 1.922 0.030 1 361 40 40 PRO C C 176.834 0.300 1 362 40 40 PRO CA C 62.987 0.300 1 363 40 40 PRO CB C 32.092 0.300 1 364 40 40 PRO CD C 50.524 0.300 1 365 40 40 PRO CG C 27.181 0.300 1 366 41 41 SER H H 8.358 0.030 1 367 41 41 SER HA H 4.439 0.030 1 368 41 41 SER HB2 H 3.798 0.030 1 369 41 41 SER HB3 H 3.798 0.030 1 370 41 41 SER C C 174.536 0.300 1 371 41 41 SER CA C 58.275 0.300 1 372 41 41 SER CB C 63.938 0.300 1 373 41 41 SER N N 116.030 0.300 1 374 42 42 GLY HA2 H 4.073 0.030 1 375 42 42 GLY HA3 H 4.073 0.030 1 376 42 42 GLY CA C 44.605 0.300 1 377 43 43 PRO HA H 4.417 0.030 1 378 43 43 PRO HB2 H 2.237 0.030 2 379 43 43 PRO HB3 H 1.914 0.030 2 380 43 43 PRO HD2 H 3.565 0.030 1 381 43 43 PRO HD3 H 3.565 0.030 1 382 43 43 PRO HG2 H 1.953 0.030 1 383 43 43 PRO HG3 H 1.953 0.030 1 384 43 43 PRO CA C 63.232 0.300 1 385 43 43 PRO CB C 32.155 0.300 1 386 43 43 PRO CD C 49.726 0.300 1 387 43 43 PRO CG C 27.109 0.300 1 388 45 45 SER HA H 4.462 0.030 1 389 45 45 SER HB2 H 3.854 0.030 1 390 45 45 SER HB3 H 3.854 0.030 1 391 45 45 SER C C 173.879 0.300 1 392 45 45 SER CA C 58.355 0.300 1 393 45 45 SER CB C 63.904 0.300 1 394 46 46 GLY H H 8.013 0.030 1 395 46 46 GLY HA2 H 3.693 0.030 2 396 46 46 GLY HA3 H 3.738 0.030 2 397 46 46 GLY C C 178.962 0.300 1 398 46 46 GLY CA C 46.160 0.300 1 399 46 46 GLY N N 116.805 0.300 1 stop_ save_