data_10308 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 484-512) of human Zinc finger protein 473 ; _BMRB_accession_number 10308 _BMRB_flat_file_name bmr10308.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" 208 "13C chemical shifts" 152 "15N chemical shifts" 36 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 484-512) 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 42 _Mol_residue_sequence ; GSSGSSGEKPYSCAECKETF SDNNRLVQHQKMHTVKSGPS SG ; 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 SER 13 CYS 14 ALA 15 GLU 16 CYS 17 LYS 18 GLU 19 THR 20 PHE 21 SER 22 ASP 23 ASN 24 ASN 25 ARG 26 LEU 27 VAL 28 GLN 29 HIS 30 GLN 31 LYS 32 MET 33 HIS 34 THR 35 VAL 36 LYS 37 SER 38 GLY 39 PRO 40 SER 41 SER 42 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 2YTE "Solution Structure Of The C2h2 Type Zinc Finger (Region 484- 512) Of Human Zinc Finger Protein 473" 100.00 42 100.00 100.00 5.88e-21 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 13 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 16 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 29 HIS NE2 'ZINC ION' . . ZN single coordination zf-C2H2 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 13 CYS HG zf-C2H2 16 CYS HG zf-C2H2 29 HIS HE2 zf-C2H2 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 P070207-06 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 topspin _Version 1.3 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 II' _Field_strength 900 _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 7 7 GLY HA2 H 3.959 0.030 1 2 7 7 GLY HA3 H 3.959 0.030 1 3 7 7 GLY C C 174.005 0.300 1 4 7 7 GLY CA C 45.252 0.300 1 5 8 8 GLU H H 8.226 0.030 1 6 8 8 GLU HA H 4.218 0.030 1 7 8 8 GLU HB2 H 1.912 0.030 2 8 8 8 GLU HB3 H 2.005 0.030 2 9 8 8 GLU HG2 H 2.225 0.030 2 10 8 8 GLU HG3 H 2.273 0.030 2 11 8 8 GLU C C 176.423 0.300 1 12 8 8 GLU CA C 56.715 0.300 1 13 8 8 GLU CB C 30.411 0.300 1 14 8 8 GLU CG C 36.278 0.300 1 15 8 8 GLU N N 120.358 0.300 1 16 9 9 LYS H H 8.339 0.030 1 17 9 9 LYS HA H 4.539 0.030 1 18 9 9 LYS HB2 H 1.603 0.030 1 19 9 9 LYS HB3 H 1.603 0.030 1 20 9 9 LYS HD2 H 1.596 0.030 2 21 9 9 LYS HD3 H 1.503 0.030 2 22 9 9 LYS HE2 H 2.919 0.030 1 23 9 9 LYS HE3 H 2.919 0.030 1 24 9 9 LYS HG2 H 1.238 0.030 2 25 9 9 LYS HG3 H 1.356 0.030 2 26 9 9 LYS C C 174.309 0.300 1 27 9 9 LYS CA C 54.066 0.300 1 28 9 9 LYS CB C 32.677 0.300 1 29 9 9 LYS CD C 29.339 0.300 1 30 9 9 LYS CE C 42.158 0.300 1 31 9 9 LYS CG C 24.801 0.300 1 32 9 9 LYS N N 122.438 0.300 1 33 10 10 PRO HA H 4.326 0.030 1 34 10 10 PRO HB2 H 2.054 0.030 2 35 10 10 PRO HB3 H 1.459 0.030 2 36 10 10 PRO HD2 H 3.651 0.030 1 37 10 10 PRO HD3 H 3.651 0.030 1 38 10 10 PRO HG2 H 1.729 0.030 2 39 10 10 PRO HG3 H 1.892 0.030 2 40 10 10 PRO C C 176.344 0.300 1 41 10 10 PRO CA C 63.526 0.300 1 42 10 10 PRO CB C 32.186 0.300 1 43 10 10 PRO CD C 50.431 0.300 1 44 10 10 PRO CG C 26.777 0.300 1 45 11 11 TYR H H 8.036 0.030 1 46 11 11 TYR HA H 4.653 0.030 1 47 11 11 TYR HB2 H 2.950 0.030 1 48 11 11 TYR HB3 H 2.950 0.030 1 49 11 11 TYR HD1 H 7.028 0.030 1 50 11 11 TYR HD2 H 7.028 0.030 1 51 11 11 TYR HE1 H 6.870 0.030 1 52 11 11 TYR HE2 H 6.870 0.030 1 53 11 11 TYR C C 174.892 0.300 1 54 11 11 TYR CA C 57.450 0.300 1 55 11 11 TYR CB C 38.504 0.300 1 56 11 11 TYR CD1 C 133.106 0.300 1 57 11 11 TYR CD2 C 133.106 0.300 1 58 11 11 TYR CE1 C 118.294 0.300 1 59 11 11 TYR CE2 C 118.294 0.300 1 60 11 11 TYR N N 118.635 0.300 1 61 12 12 SER H H 8.561 0.030 1 62 12 12 SER HA H 5.116 0.030 1 63 12 12 SER HB2 H 3.667 0.030 1 64 12 12 SER HB3 H 3.667 0.030 1 65 12 12 SER C C 172.901 0.300 1 66 12 12 SER CA C 56.906 0.300 1 67 12 12 SER CB C 65.254 0.300 1 68 12 12 SER N N 117.287 0.300 1 69 13 13 CYS H H 8.790 0.030 1 70 13 13 CYS HA H 4.549 0.030 1 71 13 13 CYS HB2 H 3.345 0.030 2 72 13 13 CYS HB3 H 2.817 0.030 2 73 13 13 CYS C C 176.405 0.300 1 74 13 13 CYS CA C 59.142 0.300 1 75 13 13 CYS CB C 30.052 0.300 1 76 13 13 CYS N N 126.217 0.300 1 77 14 14 ALA H H 9.121 0.030 1 78 14 14 ALA HA H 4.245 0.030 1 79 14 14 ALA HB H 1.525 0.030 1 80 14 14 ALA C C 178.416 0.300 1 81 14 14 ALA CA C 54.562 0.300 1 82 14 14 ALA CB C 19.022 0.300 1 83 14 14 ALA N N 132.875 0.300 1 84 15 15 GLU H H 8.791 0.030 1 85 15 15 GLU HA H 4.238 0.030 1 86 15 15 GLU HB2 H 1.512 0.030 2 87 15 15 GLU HB3 H 1.406 0.030 2 88 15 15 GLU HG2 H 1.841 0.030 2 89 15 15 GLU HG3 H 1.930 0.030 2 90 15 15 GLU C C 176.750 0.300 1 91 15 15 GLU CA C 58.036 0.300 1 92 15 15 GLU CB C 30.090 0.300 1 93 15 15 GLU CG C 35.814 0.300 1 94 15 15 GLU N N 118.678 0.300 1 95 16 16 CYS H H 8.033 0.030 1 96 16 16 CYS HA H 5.037 0.030 1 97 16 16 CYS HB2 H 3.414 0.030 2 98 16 16 CYS HB3 H 2.992 0.030 2 99 16 16 CYS C C 175.061 0.300 1 100 16 16 CYS CA C 58.770 0.300 1 101 16 16 CYS CB C 31.332 0.300 1 102 16 16 CYS N N 117.197 0.300 1 103 17 17 LYS H H 8.175 0.030 1 104 17 17 LYS HA H 4.204 0.030 1 105 17 17 LYS HB2 H 2.140 0.030 2 106 17 17 LYS HB3 H 2.004 0.030 2 107 17 17 LYS HD2 H 1.603 0.030 2 108 17 17 LYS HD3 H 1.658 0.030 2 109 17 17 LYS HE2 H 2.980 0.030 1 110 17 17 LYS HE3 H 2.980 0.030 1 111 17 17 LYS HG2 H 1.392 0.030 2 112 17 17 LYS HG3 H 1.319 0.030 2 113 17 17 LYS C C 176.229 0.300 1 114 17 17 LYS CA C 57.706 0.300 1 115 17 17 LYS CB C 29.703 0.300 1 116 17 17 LYS CD C 28.639 0.300 1 117 17 17 LYS CE C 42.422 0.300 1 118 17 17 LYS CG C 25.097 0.300 1 119 17 17 LYS N N 116.527 0.300 1 120 18 18 GLU H H 8.179 0.030 1 121 18 18 GLU HA H 4.121 0.030 1 122 18 18 GLU HB2 H 1.662 0.030 2 123 18 18 GLU HB3 H 1.502 0.030 2 124 18 18 GLU HG2 H 2.240 0.030 2 125 18 18 GLU HG3 H 2.061 0.030 2 126 18 18 GLU C C 174.900 0.300 1 127 18 18 GLU CA C 58.042 0.300 1 128 18 18 GLU CB C 30.746 0.300 1 129 18 18 GLU CG C 37.171 0.300 1 130 18 18 GLU N N 122.720 0.300 1 131 19 19 THR H H 7.681 0.030 1 132 19 19 THR HA H 5.015 0.030 1 133 19 19 THR HB H 4.028 0.030 1 134 19 19 THR HG2 H 1.096 0.030 1 135 19 19 THR C C 173.273 0.300 1 136 19 19 THR CA C 59.872 0.300 1 137 19 19 THR CB C 71.469 0.300 1 138 19 19 THR CG2 C 22.015 0.300 1 139 19 19 THR N N 112.124 0.300 1 140 20 20 PHE H H 8.672 0.030 1 141 20 20 PHE HA H 4.816 0.030 1 142 20 20 PHE HB2 H 3.258 0.030 2 143 20 20 PHE HB3 H 2.668 0.030 2 144 20 20 PHE HD1 H 7.093 0.030 1 145 20 20 PHE HD2 H 7.093 0.030 1 146 20 20 PHE HE1 H 6.799 0.030 1 147 20 20 PHE HE2 H 6.799 0.030 1 148 20 20 PHE HZ H 6.087 0.030 1 149 20 20 PHE C C 175.700 0.300 1 150 20 20 PHE CA C 57.525 0.300 1 151 20 20 PHE CB C 44.398 0.300 1 152 20 20 PHE CD1 C 132.040 0.300 1 153 20 20 PHE CD2 C 132.040 0.300 1 154 20 20 PHE CE1 C 130.768 0.300 1 155 20 20 PHE CE2 C 130.768 0.300 1 156 20 20 PHE CZ C 129.418 0.300 1 157 20 20 PHE N N 117.150 0.300 1 158 21 21 SER H H 9.176 0.030 1 159 21 21 SER HA H 4.554 0.030 1 160 21 21 SER HB2 H 4.102 0.030 2 161 21 21 SER HB3 H 3.977 0.030 2 162 21 21 SER C C 173.592 0.300 1 163 21 21 SER CA C 60.152 0.300 1 164 21 21 SER CB C 64.096 0.300 1 165 21 21 SER N N 114.791 0.300 1 166 22 22 ASP H H 7.410 0.030 1 167 22 22 ASP HA H 4.522 0.030 1 168 22 22 ASP HB2 H 2.799 0.030 1 169 22 22 ASP HB3 H 2.799 0.030 1 170 22 22 ASP C C 174.539 0.300 1 171 22 22 ASP CA C 52.945 0.300 1 172 22 22 ASP CB C 43.406 0.300 1 173 22 22 ASP N N 116.031 0.300 1 174 23 23 ASN H H 8.383 0.030 1 175 23 23 ASN HA H 3.794 0.030 1 176 23 23 ASN HB2 H 2.401 0.030 2 177 23 23 ASN HB3 H 2.227 0.030 2 178 23 23 ASN HD21 H 7.350 0.030 2 179 23 23 ASN HD22 H 6.710 0.030 2 180 23 23 ASN C C 174.005 0.300 1 181 23 23 ASN CA C 55.978 0.300 1 182 23 23 ASN CB C 39.409 0.300 1 183 23 23 ASN N N 118.558 0.300 1 184 23 23 ASN ND2 N 112.992 0.300 1 185 24 24 ASN H H 8.337 0.030 1 186 24 24 ASN HA H 4.291 0.030 1 187 24 24 ASN HB2 H 2.711 0.030 2 188 24 24 ASN HB3 H 2.853 0.030 2 189 24 24 ASN HD21 H 6.977 0.030 2 190 24 24 ASN HD22 H 7.793 0.030 2 191 24 24 ASN C C 178.162 0.300 1 192 24 24 ASN CA C 56.562 0.300 1 193 24 24 ASN CB C 37.695 0.300 1 194 24 24 ASN N N 117.809 0.300 1 195 24 24 ASN ND2 N 114.271 0.300 1 196 25 25 ARG H H 8.363 0.030 1 197 25 25 ARG HA H 3.904 0.030 1 198 25 25 ARG HB2 H 1.920 0.030 1 199 25 25 ARG HB3 H 1.920 0.030 1 200 25 25 ARG HD2 H 3.334 0.030 2 201 25 25 ARG HD3 H 3.369 0.030 2 202 25 25 ARG HG2 H 1.806 0.030 2 203 25 25 ARG HG3 H 1.972 0.030 2 204 25 25 ARG C C 178.933 0.300 1 205 25 25 ARG CA C 58.779 0.300 1 206 25 25 ARG CB C 30.025 0.300 1 207 25 25 ARG CD C 43.152 0.300 1 208 25 25 ARG CG C 28.553 0.300 1 209 25 25 ARG N N 119.578 0.300 1 210 26 26 LEU H H 7.000 0.030 1 211 26 26 LEU HA H 3.138 0.030 1 212 26 26 LEU HB2 H 2.051 0.030 2 213 26 26 LEU HB3 H 1.189 0.030 2 214 26 26 LEU HD1 H 1.064 0.030 1 215 26 26 LEU HD2 H 0.903 0.030 1 216 26 26 LEU HG H 1.444 0.030 1 217 26 26 LEU C C 177.428 0.300 1 218 26 26 LEU CA C 58.213 0.300 1 219 26 26 LEU CB C 40.556 0.300 1 220 26 26 LEU CD1 C 26.383 0.300 2 221 26 26 LEU CD2 C 23.116 0.300 2 222 26 26 LEU CG C 27.550 0.300 1 223 26 26 LEU N N 121.494 0.300 1 224 27 27 VAL H H 8.289 0.030 1 225 27 27 VAL HA H 3.689 0.030 1 226 27 27 VAL HB H 2.081 0.030 1 227 27 27 VAL HG1 H 1.013 0.030 1 228 27 27 VAL HG2 H 0.904 0.030 1 229 27 27 VAL C C 179.337 0.300 1 230 27 27 VAL CA C 66.538 0.300 1 231 27 27 VAL CB C 31.669 0.300 1 232 27 27 VAL CG1 C 22.778 0.300 2 233 27 27 VAL CG2 C 21.112 0.300 2 234 27 27 VAL N N 120.102 0.300 1 235 28 28 GLN H H 7.741 0.030 1 236 28 28 GLN HA H 3.935 0.030 1 237 28 28 GLN HB2 H 2.017 0.030 1 238 28 28 GLN HB3 H 2.017 0.030 1 239 28 28 GLN HE21 H 7.393 0.030 2 240 28 28 GLN HE22 H 6.885 0.030 2 241 28 28 GLN HG2 H 2.427 0.030 1 242 28 28 GLN HG3 H 2.427 0.030 1 243 28 28 GLN C C 178.625 0.300 1 244 28 28 GLN CA C 58.551 0.300 1 245 28 28 GLN CB C 28.210 0.300 1 246 28 28 GLN CG C 33.360 0.300 1 247 28 28 GLN N N 117.877 0.300 1 248 28 28 GLN NE2 N 112.313 0.300 1 249 29 29 HIS H H 7.642 0.030 1 250 29 29 HIS HA H 4.143 0.030 1 251 29 29 HIS HB2 H 3.103 0.030 2 252 29 29 HIS HB3 H 2.757 0.030 2 253 29 29 HIS HD2 H 6.839 0.030 1 254 29 29 HIS HE1 H 7.998 0.030 1 255 29 29 HIS C C 176.841 0.300 1 256 29 29 HIS CA C 59.214 0.300 1 257 29 29 HIS CB C 28.187 0.300 1 258 29 29 HIS CD2 C 126.954 0.300 1 259 29 29 HIS CE1 C 139.897 0.300 1 260 29 29 HIS N N 119.258 0.300 1 261 30 30 GLN H H 8.502 0.030 1 262 30 30 GLN HA H 3.682 0.030 1 263 30 30 GLN HB2 H 2.169 0.030 2 264 30 30 GLN HB3 H 2.334 0.030 2 265 30 30 GLN HE21 H 7.616 0.030 2 266 30 30 GLN HE22 H 6.987 0.030 2 267 30 30 GLN HG2 H 2.796 0.030 2 268 30 30 GLN HG3 H 2.831 0.030 2 269 30 30 GLN C C 178.142 0.300 1 270 30 30 GLN CA C 59.371 0.300 1 271 30 30 GLN CB C 28.214 0.300 1 272 30 30 GLN CG C 35.350 0.300 1 273 30 30 GLN N N 116.993 0.300 1 274 30 30 GLN NE2 N 111.886 0.300 1 275 31 31 LYS H H 7.296 0.030 1 276 31 31 LYS HA H 4.080 0.030 1 277 31 31 LYS HB2 H 1.818 0.030 2 278 31 31 LYS HB3 H 1.875 0.030 2 279 31 31 LYS HD2 H 1.670 0.030 1 280 31 31 LYS HD3 H 1.670 0.030 1 281 31 31 LYS HE2 H 2.926 0.030 1 282 31 31 LYS HE3 H 2.926 0.030 1 283 31 31 LYS HG2 H 1.467 0.030 2 284 31 31 LYS HG3 H 1.625 0.030 2 285 31 31 LYS C C 178.224 0.300 1 286 31 31 LYS CA C 58.670 0.300 1 287 31 31 LYS CB C 32.208 0.300 1 288 31 31 LYS CD C 29.218 0.300 1 289 31 31 LYS CE C 42.201 0.300 1 290 31 31 LYS CG C 25.287 0.300 1 291 31 31 LYS N N 118.304 0.300 1 292 32 32 MET H H 7.790 0.030 1 293 32 32 MET HA H 4.218 0.030 1 294 32 32 MET HB2 H 1.818 0.030 1 295 32 32 MET HB3 H 1.818 0.030 1 296 32 32 MET HE H 1.997 0.030 1 297 32 32 MET HG2 H 2.209 0.030 2 298 32 32 MET HG3 H 2.319 0.030 2 299 32 32 MET C C 177.323 0.300 1 300 32 32 MET CA C 56.774 0.300 1 301 32 32 MET CB C 31.506 0.300 1 302 32 32 MET CE C 16.613 0.300 1 303 32 32 MET CG C 31.086 0.300 1 304 32 32 MET N N 116.306 0.300 1 305 33 33 HIS H H 7.332 0.030 1 306 33 33 HIS HA H 4.774 0.030 1 307 33 33 HIS HB2 H 3.186 0.030 2 308 33 33 HIS HB3 H 3.316 0.030 2 309 33 33 HIS HD2 H 6.715 0.030 1 310 33 33 HIS HE1 H 8.027 0.030 1 311 33 33 HIS C C 175.209 0.300 1 312 33 33 HIS CA C 55.331 0.300 1 313 33 33 HIS CB C 28.778 0.300 1 314 33 33 HIS CD2 C 127.265 0.300 1 315 33 33 HIS CE1 C 139.867 0.300 1 316 33 33 HIS N N 116.482 0.300 1 317 34 34 THR H H 7.799 0.030 1 318 34 34 THR HA H 4.341 0.030 1 319 34 34 THR HB H 4.239 0.030 1 320 34 34 THR HG2 H 1.239 0.030 1 321 34 34 THR C C 174.558 0.300 1 322 34 34 THR CA C 62.521 0.300 1 323 34 34 THR CB C 69.852 0.300 1 324 34 34 THR CG2 C 21.738 0.300 1 325 34 34 THR N N 113.750 0.300 1 326 35 35 VAL H H 8.064 0.030 1 327 35 35 VAL HA H 4.104 0.030 1 328 35 35 VAL HB H 2.085 0.030 1 329 35 35 VAL HG1 H 0.971 0.030 1 330 35 35 VAL HG2 H 0.935 0.030 1 331 35 35 VAL C C 176.064 0.300 1 332 35 35 VAL CA C 62.606 0.300 1 333 35 35 VAL CB C 32.630 0.300 1 334 35 35 VAL CG1 C 20.783 0.300 2 335 35 35 VAL CG2 C 21.100 0.300 2 336 35 35 VAL N N 123.035 0.300 1 337 36 36 LYS H H 8.463 0.030 1 338 36 36 LYS HA H 4.402 0.030 1 339 36 36 LYS HB2 H 1.777 0.030 2 340 36 36 LYS HB3 H 1.873 0.030 2 341 36 36 LYS HD2 H 1.684 0.030 1 342 36 36 LYS HD3 H 1.684 0.030 1 343 36 36 LYS HE2 H 2.996 0.030 1 344 36 36 LYS HE3 H 2.996 0.030 1 345 36 36 LYS HG2 H 1.433 0.030 2 346 36 36 LYS HG3 H 1.475 0.030 2 347 36 36 LYS C C 176.416 0.300 1 348 36 36 LYS CA C 56.138 0.300 1 349 36 36 LYS CB C 33.018 0.300 1 350 36 36 LYS CD C 29.018 0.300 1 351 36 36 LYS CE C 42.199 0.300 1 352 36 36 LYS CG C 24.728 0.300 1 353 36 36 LYS N N 125.819 0.300 1 354 37 37 SER H H 8.367 0.030 1 355 37 37 SER HA H 4.511 0.030 1 356 37 37 SER HB2 H 3.880 0.030 1 357 37 37 SER HB3 H 3.880 0.030 1 358 37 37 SER C C 174.471 0.300 1 359 37 37 SER CA C 58.225 0.300 1 360 37 37 SER CB C 64.127 0.300 1 361 37 37 SER N N 117.533 0.300 1 362 38 38 GLY H H 8.293 0.030 1 363 38 38 GLY HA2 H 4.113 0.030 2 364 38 38 GLY HA3 H 4.182 0.030 2 365 38 38 GLY C C 171.747 0.300 1 366 38 38 GLY CA C 44.688 0.300 1 367 38 38 GLY N N 110.774 0.300 1 368 39 39 PRO HA H 4.492 0.030 1 369 39 39 PRO HB2 H 2.311 0.030 2 370 39 39 PRO HB3 H 1.989 0.030 2 371 39 39 PRO HD2 H 3.642 0.030 1 372 39 39 PRO HD3 H 3.642 0.030 1 373 39 39 PRO HG2 H 2.032 0.030 1 374 39 39 PRO HG3 H 2.032 0.030 1 375 39 39 PRO C C 177.429 0.300 1 376 39 39 PRO CA C 63.281 0.300 1 377 39 39 PRO CB C 32.228 0.300 1 378 39 39 PRO CD C 49.806 0.300 1 379 39 39 PRO CG C 27.158 0.300 1 380 40 40 SER H H 8.544 0.030 1 381 40 40 SER C C 174.588 0.300 1 382 40 40 SER CA C 58.520 0.300 1 383 40 40 SER CB C 63.960 0.300 1 384 40 40 SER N N 116.437 0.300 1 385 41 41 SER HA H 4.511 0.030 1 386 41 41 SER HB2 H 3.882 0.030 1 387 41 41 SER HB3 H 3.882 0.030 1 388 41 41 SER C C 173.892 0.300 1 389 41 41 SER CA C 58.353 0.300 1 390 41 41 SER CB C 64.100 0.300 1 391 42 42 GLY H H 8.057 0.030 1 392 42 42 GLY HA2 H 3.761 0.030 2 393 42 42 GLY HA3 H 3.809 0.030 2 394 42 42 GLY C C 178.968 0.300 1 395 42 42 GLY CA C 46.243 0.300 1 396 42 42 GLY N N 116.893 0.300 1 stop_ save_