data_10154 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 557-589) of human Zinc finger protein 473 ; _BMRB_accession_number 10154 _BMRB_flat_file_name bmr10154.str _Entry_type original _Submission_date 2007-12-11 _Accession_date 2007-12-12 _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" 234 "13C chemical shifts" 165 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-11 original author . stop_ _Original_release_date 2008-12-11 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 557-589) 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 domain' $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'zf-C2H2 domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGQKEKCFKCNKCEK TFSCSKYLTQHERIHTRGVK SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 LYS 10 GLU 11 LYS 12 CYS 13 PHE 14 LYS 15 CYS 16 ASN 17 LYS 18 CYS 19 GLU 20 LYS 21 THR 22 PHE 23 SER 24 CYS 25 SER 26 LYS 27 TYR 28 LEU 29 THR 30 GLN 31 HIS 32 GLU 33 ARG 34 ILE 35 HIS 36 THR 37 ARG 38 GLY 39 VAL 40 LYS 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2EOY "Solution Structure Of The C2h2 Type Zinc Finger (Region 557- 589) Of Human Zinc Finger Protein 473" 100.00 46 100.00 100.00 8.72e-23 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 P070115-28 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 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 'zf-C2H2 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY CA C 45.660 0.300 1 2 7 7 GLY HA2 H 3.931 0.030 1 3 7 7 GLY HA3 H 3.931 0.030 1 4 7 7 GLY C C 174.138 0.300 1 5 8 8 GLN N N 119.891 0.300 1 6 8 8 GLN H H 8.206 0.030 1 7 8 8 GLN CA C 55.820 0.300 1 8 8 8 GLN HA H 4.341 0.030 1 9 8 8 GLN CB C 29.497 0.300 1 10 8 8 GLN HB2 H 2.116 0.030 2 11 8 8 GLN HB3 H 1.989 0.030 2 12 8 8 GLN CG C 33.760 0.300 1 13 8 8 GLN HG2 H 2.365 0.030 1 14 8 8 GLN HG3 H 2.365 0.030 1 15 8 8 GLN NE2 N 111.139 0.300 1 16 8 8 GLN HE21 H 7.468 0.030 2 17 8 8 GLN HE22 H 6.851 0.030 2 18 8 8 GLN C C 176.071 0.300 1 19 9 9 LYS N N 122.781 0.300 1 20 9 9 LYS H H 8.408 0.030 1 21 9 9 LYS CA C 56.490 0.300 1 22 9 9 LYS HA H 4.292 0.030 1 23 9 9 LYS CB C 33.055 0.300 1 24 9 9 LYS HB2 H 1.841 0.030 2 25 9 9 LYS HB3 H 1.765 0.030 2 26 9 9 LYS CG C 24.658 0.300 1 27 9 9 LYS HG2 H 1.454 0.030 1 28 9 9 LYS HG3 H 1.454 0.030 1 29 9 9 LYS CD C 29.068 0.300 1 30 9 9 LYS HD2 H 1.705 0.030 1 31 9 9 LYS HD3 H 1.705 0.030 1 32 9 9 LYS CE C 42.149 0.300 1 33 9 9 LYS HE2 H 2.978 0.030 1 34 9 9 LYS HE3 H 2.978 0.030 1 35 9 9 LYS C C 176.568 0.300 1 36 10 10 GLU N N 121.884 0.300 1 37 10 10 GLU H H 8.435 0.030 1 38 10 10 GLU CA C 56.644 0.300 1 39 10 10 GLU HA H 4.239 0.030 1 40 10 10 GLU CB C 30.349 0.300 1 41 10 10 GLU HB2 H 2.023 0.030 2 42 10 10 GLU HB3 H 1.930 0.030 2 43 10 10 GLU CG C 36.310 0.300 1 44 10 10 GLU HG2 H 2.270 0.030 1 45 10 10 GLU HG3 H 2.270 0.030 1 46 10 10 GLU C C 176.223 0.300 1 47 11 11 LYS N N 122.536 0.300 1 48 11 11 LYS H H 8.406 0.030 1 49 11 11 LYS CA C 56.095 0.300 1 50 11 11 LYS HA H 4.235 0.030 1 51 11 11 LYS CB C 32.883 0.300 1 52 11 11 LYS HB2 H 1.698 0.030 1 53 11 11 LYS HB3 H 1.698 0.030 1 54 11 11 LYS CG C 24.889 0.300 1 55 11 11 LYS HG2 H 1.395 0.030 2 56 11 11 LYS HG3 H 1.282 0.030 2 57 11 11 LYS CD C 29.156 0.300 1 58 11 11 LYS HD2 H 1.654 0.030 2 59 11 11 LYS HD3 H 1.566 0.030 2 60 11 11 LYS CE C 42.157 0.300 1 61 11 11 LYS HE2 H 2.929 0.030 1 62 11 11 LYS HE3 H 2.929 0.030 1 63 11 11 LYS C C 175.448 0.300 1 64 12 12 CYS N N 119.041 0.300 1 65 12 12 CYS H H 7.970 0.030 1 66 12 12 CYS CA C 57.850 0.300 1 67 12 12 CYS HA H 4.523 0.030 1 68 12 12 CYS CB C 28.790 0.300 1 69 12 12 CYS HB2 H 2.720 0.030 1 70 12 12 CYS HB3 H 2.720 0.030 1 71 12 12 CYS C C 173.137 0.300 1 72 13 13 PHE N N 123.659 0.300 1 73 13 13 PHE H H 8.796 0.030 1 74 13 13 PHE CA C 57.405 0.300 1 75 13 13 PHE HA H 4.636 0.030 1 76 13 13 PHE CB C 39.505 0.300 1 77 13 13 PHE HB2 H 2.975 0.030 2 78 13 13 PHE HB3 H 2.943 0.030 2 79 13 13 PHE CD1 C 131.600 0.300 1 80 13 13 PHE HD1 H 7.141 0.030 1 81 13 13 PHE CD2 C 131.600 0.300 1 82 13 13 PHE HD2 H 7.141 0.030 1 83 13 13 PHE CE1 C 131.565 0.300 1 84 13 13 PHE HE1 H 7.343 0.030 1 85 13 13 PHE CE2 C 131.565 0.300 1 86 13 13 PHE HE2 H 7.343 0.030 1 87 13 13 PHE CZ C 130.065 0.300 1 88 13 13 PHE HZ H 7.350 0.030 1 89 13 13 PHE C C 174.193 0.300 1 90 14 14 LYS N N 125.302 0.300 1 91 14 14 LYS H H 8.659 0.030 1 92 14 14 LYS CA C 55.196 0.300 1 93 14 14 LYS HA H 4.831 0.030 1 94 14 14 LYS CB C 35.042 0.300 1 95 14 14 LYS HB2 H 1.797 0.030 2 96 14 14 LYS HB3 H 1.623 0.030 2 97 14 14 LYS CG C 24.314 0.300 1 98 14 14 LYS HG2 H 1.409 0.030 2 99 14 14 LYS HG3 H 1.257 0.030 2 100 14 14 LYS CD C 29.073 0.300 1 101 14 14 LYS HD2 H 1.656 0.030 2 102 14 14 LYS CE C 42.151 0.300 1 103 14 14 LYS HE2 H 2.930 0.030 1 104 14 14 LYS HE3 H 2.930 0.030 1 105 14 14 LYS C C 175.026 0.300 1 106 15 15 CYS N N 127.929 0.300 1 107 15 15 CYS H H 8.710 0.030 1 108 15 15 CYS CA C 60.083 0.300 1 109 15 15 CYS HA H 4.578 0.030 1 110 15 15 CYS CB C 29.646 0.300 1 111 15 15 CYS HB2 H 2.834 0.030 2 112 15 15 CYS HB3 H 3.397 0.030 2 113 15 15 CYS C C 175.715 0.300 1 114 16 16 ASN N N 126.460 0.300 1 115 16 16 ASN H H 9.033 0.030 1 116 16 16 ASN CA C 54.820 0.300 1 117 16 16 ASN HA H 4.728 0.030 1 118 16 16 ASN CB C 38.681 0.300 1 119 16 16 ASN HB2 H 2.999 0.030 2 120 16 16 ASN HB3 H 2.902 0.030 2 121 16 16 ASN ND2 N 112.648 0.300 1 122 16 16 ASN HD21 H 7.715 0.030 2 123 16 16 ASN HD22 H 6.961 0.030 2 124 16 16 ASN C C 176.123 0.300 1 125 17 17 LYS N N 121.823 0.300 1 126 17 17 LYS H H 9.444 0.030 1 127 17 17 LYS CA C 56.577 0.300 1 128 17 17 LYS HA H 4.368 0.030 1 129 17 17 LYS CB C 33.308 0.300 1 130 17 17 LYS HB2 H 0.839 0.030 2 131 17 17 LYS HB3 H 1.241 0.030 2 132 17 17 LYS CG C 25.123 0.300 1 133 17 17 LYS HG2 H 1.236 0.030 2 134 17 17 LYS HG3 H 1.200 0.030 2 135 17 17 LYS CD C 28.784 0.300 1 136 17 17 LYS HD2 H 1.477 0.030 2 137 17 17 LYS HD3 H 1.395 0.030 2 138 17 17 LYS CE C 42.129 0.300 1 139 17 17 LYS HE2 H 2.931 0.030 1 140 17 17 LYS HE3 H 2.931 0.030 1 141 17 17 LYS C C 176.102 0.300 1 142 18 18 CYS N N 118.544 0.300 1 143 18 18 CYS H H 7.918 0.030 1 144 18 18 CYS CA C 58.610 0.300 1 145 18 18 CYS HA H 5.016 0.030 1 146 18 18 CYS CB C 30.648 0.300 1 147 18 18 CYS HB2 H 3.104 0.030 2 148 18 18 CYS HB3 H 3.378 0.030 2 149 18 18 CYS C C 173.625 0.300 1 150 19 19 GLU N N 115.419 0.300 1 151 19 19 GLU H H 8.498 0.030 1 152 19 19 GLU CA C 57.672 0.300 1 153 19 19 GLU HA H 4.229 0.030 1 154 19 19 GLU CB C 28.577 0.300 1 155 19 19 GLU HB2 H 2.211 0.030 2 156 19 19 GLU HB3 H 2.177 0.030 2 157 19 19 GLU CG C 36.216 0.300 1 158 19 19 GLU HG2 H 2.303 0.030 2 159 19 19 GLU HG3 H 2.141 0.030 2 160 19 19 GLU C C 176.219 0.300 1 161 20 20 LYS N N 122.785 0.300 1 162 20 20 LYS H H 8.283 0.030 1 163 20 20 LYS CA C 58.127 0.300 1 164 20 20 LYS HA H 4.033 0.030 1 165 20 20 LYS CB C 33.528 0.300 1 166 20 20 LYS HB2 H 1.390 0.030 2 167 20 20 LYS HB3 H 1.273 0.030 2 168 20 20 LYS CG C 26.493 0.300 1 169 20 20 LYS HG2 H 1.530 0.030 2 170 20 20 LYS HG3 H 1.352 0.030 2 171 20 20 LYS CD C 28.911 0.300 1 172 20 20 LYS HD2 H 1.544 0.030 1 173 20 20 LYS HD3 H 1.544 0.030 1 174 20 20 LYS CE C 42.326 0.300 1 175 20 20 LYS HE2 H 3.037 0.030 2 176 20 20 LYS HE3 H 2.992 0.030 2 177 20 20 LYS C C 174.855 0.300 1 178 21 21 THR N N 110.456 0.300 1 179 21 21 THR H H 7.497 0.030 1 180 21 21 THR CA C 59.617 0.300 1 181 21 21 THR HA H 5.051 0.030 1 182 21 21 THR CB C 71.680 0.300 1 183 21 21 THR HB H 4.008 0.030 1 184 21 21 THR CG2 C 21.747 0.300 1 185 21 21 THR HG2 H 1.089 0.030 1 186 21 21 THR C C 173.142 0.300 1 187 22 22 PHE N N 117.251 0.300 1 188 22 22 PHE H H 8.746 0.030 1 189 22 22 PHE CA C 57.180 0.300 1 190 22 22 PHE HA H 4.963 0.030 1 191 22 22 PHE CB C 44.791 0.300 1 192 22 22 PHE HB2 H 2.818 0.030 2 193 22 22 PHE HB3 H 3.515 0.030 2 194 22 22 PHE CD1 C 132.260 0.300 1 195 22 22 PHE HD1 H 7.283 0.030 1 196 22 22 PHE CD2 C 132.260 0.300 1 197 22 22 PHE HD2 H 7.283 0.030 1 198 22 22 PHE CE1 C 130.884 0.300 1 199 22 22 PHE HE1 H 6.885 0.030 1 200 22 22 PHE CE2 C 130.884 0.300 1 201 22 22 PHE HE2 H 6.885 0.030 1 202 22 22 PHE CZ C 129.256 0.300 1 203 22 22 PHE HZ H 6.241 0.030 1 204 22 22 PHE C C 176.046 0.300 1 205 23 23 SER CA C 59.336 0.300 1 206 23 23 SER HA H 4.754 0.030 1 207 23 23 SER CB C 64.271 0.300 1 208 23 23 SER HB2 H 4.226 0.030 2 209 23 23 SER HB3 H 4.035 0.030 2 210 24 24 CYS N N 113.033 0.300 1 211 24 24 CYS H H 7.330 0.030 1 212 24 24 CYS CA C 56.095 0.300 1 213 24 24 CYS HA H 4.482 0.030 1 214 24 24 CYS CB C 30.326 0.300 1 215 24 24 CYS HB2 H 2.989 0.030 2 216 24 24 CYS HB3 H 2.756 0.030 2 217 25 25 SER CA C 60.983 0.300 1 218 25 25 SER HA H 3.348 0.030 1 219 25 25 SER CB C 62.224 0.300 1 220 25 25 SER HB2 H 3.410 0.030 2 221 25 25 SER HB3 H 3.619 0.030 2 222 26 26 LYS H H 8.166 0.030 1 223 26 26 LYS CA C 59.574 0.300 1 224 26 26 LYS HA H 3.971 0.030 1 225 26 26 LYS CB C 31.930 0.300 1 226 26 26 LYS HB2 H 1.504 0.030 2 227 26 26 LYS HB3 H 1.788 0.030 2 228 26 26 LYS CG C 24.580 0.300 1 229 26 26 LYS HG2 H 1.109 0.030 2 230 26 26 LYS HG3 H 1.248 0.030 2 231 26 26 LYS CD C 29.281 0.300 1 232 26 26 LYS HD2 H 1.553 0.030 1 233 26 26 LYS HD3 H 1.553 0.030 1 234 26 26 LYS CE C 41.989 0.300 1 235 26 26 LYS HE2 H 2.832 0.030 1 236 26 26 LYS HE3 H 2.832 0.030 1 237 26 26 LYS C C 178.526 0.300 1 238 27 27 TYR N N 117.062 0.300 1 239 27 27 TYR H H 6.995 0.030 1 240 27 27 TYR CA C 57.700 0.300 1 241 27 27 TYR HA H 4.498 0.030 1 242 27 27 TYR CB C 36.779 0.300 1 243 27 27 TYR HB2 H 3.037 0.030 2 244 27 27 TYR HB3 H 3.375 0.030 2 245 27 27 TYR CD1 C 131.840 0.300 1 246 27 27 TYR HD1 H 7.190 0.030 1 247 27 27 TYR CD2 C 131.840 0.300 1 248 27 27 TYR HD2 H 7.190 0.030 1 249 27 27 TYR CE1 C 118.595 0.300 1 250 27 27 TYR HE1 H 6.892 0.030 1 251 27 27 TYR CE2 C 118.595 0.300 1 252 27 27 TYR HE2 H 6.892 0.030 1 253 27 27 TYR C C 178.560 0.300 1 254 28 28 LEU N N 122.433 0.300 1 255 28 28 LEU H H 7.156 0.030 1 256 28 28 LEU CA C 58.234 0.300 1 257 28 28 LEU HA H 3.396 0.030 1 258 28 28 LEU CB C 40.519 0.300 1 259 28 28 LEU HB2 H 1.315 0.030 2 260 28 28 LEU HB3 H 2.050 0.030 2 261 28 28 LEU CG C 27.538 0.300 1 262 28 28 LEU HG H 1.615 0.030 1 263 28 28 LEU CD1 C 22.779 0.300 2 264 28 28 LEU HD1 H 1.063 0.030 1 265 28 28 LEU CD2 C 26.572 0.300 2 266 28 28 LEU HD2 H 1.055 0.030 1 267 28 28 LEU C C 177.446 0.300 1 268 29 29 THR N N 115.799 0.300 1 269 29 29 THR H H 8.543 0.030 1 270 29 29 THR CA C 66.539 0.300 1 271 29 29 THR HA H 3.972 0.030 1 272 29 29 THR CB C 68.701 0.300 1 273 29 29 THR HB H 4.128 0.030 1 274 29 29 THR CG2 C 21.862 0.300 1 275 29 29 THR HG2 H 1.225 0.030 1 276 29 29 THR C C 177.042 0.300 1 277 30 30 GLN N N 118.831 0.300 1 278 30 30 GLN H H 7.568 0.030 1 279 30 30 GLN CA C 58.801 0.300 1 280 30 30 GLN HA H 3.971 0.030 1 281 30 30 GLN CB C 28.596 0.300 1 282 30 30 GLN HB2 H 2.070 0.030 1 283 30 30 GLN HB3 H 2.070 0.030 1 284 30 30 GLN CG C 33.853 0.300 1 285 30 30 GLN HG2 H 2.532 0.030 2 286 30 30 GLN HG3 H 2.384 0.030 2 287 30 30 GLN NE2 N 112.657 0.300 1 288 30 30 GLN HE21 H 6.873 0.030 2 289 30 30 GLN HE22 H 7.567 0.030 2 290 30 30 GLN C C 178.233 0.300 1 291 31 31 HIS N N 119.357 0.300 1 292 31 31 HIS H H 7.565 0.030 1 293 31 31 HIS CA C 59.086 0.300 1 294 31 31 HIS HA H 4.227 0.030 1 295 31 31 HIS CB C 28.676 0.300 1 296 31 31 HIS HB2 H 3.127 0.030 2 297 31 31 HIS HB3 H 2.859 0.030 2 298 31 31 HIS CD2 C 127.606 0.300 1 299 31 31 HIS HD2 H 7.059 0.030 1 300 31 31 HIS CE1 C 139.365 0.300 1 301 31 31 HIS HE1 H 7.987 0.030 1 302 31 31 HIS C C 176.294 0.300 1 303 32 32 GLU N N 116.614 0.300 1 304 32 32 GLU H H 8.508 0.030 1 305 32 32 GLU CA C 60.064 0.300 1 306 32 32 GLU HA H 3.695 0.030 1 307 32 32 GLU CB C 29.809 0.300 1 308 32 32 GLU HB2 H 2.274 0.030 2 309 32 32 GLU HB3 H 2.130 0.030 2 310 32 32 GLU CG C 37.668 0.300 1 311 32 32 GLU HG2 H 2.718 0.030 2 312 32 32 GLU HG3 H 2.636 0.030 2 313 32 32 GLU C C 178.085 0.300 1 314 33 33 ARG N N 116.851 0.300 1 315 33 33 ARG H H 7.041 0.030 1 316 33 33 ARG CA C 58.355 0.300 1 317 33 33 ARG HA H 4.121 0.030 1 318 33 33 ARG CB C 30.200 0.300 1 319 33 33 ARG HB2 H 1.889 0.030 2 320 33 33 ARG HB3 H 1.806 0.030 2 321 33 33 ARG CG C 27.389 0.300 1 322 33 33 ARG HG2 H 1.824 0.030 2 323 33 33 ARG HG3 H 1.707 0.030 2 324 33 33 ARG CD C 43.490 0.300 1 325 33 33 ARG HD2 H 3.215 0.030 1 326 33 33 ARG HD3 H 3.215 0.030 1 327 33 33 ARG C C 178.487 0.300 1 328 34 34 ILE N N 116.576 0.300 1 329 34 34 ILE H H 7.947 0.030 1 330 34 34 ILE CA C 63.154 0.300 1 331 34 34 ILE HA H 3.952 0.030 1 332 34 34 ILE CB C 37.652 0.300 1 333 34 34 ILE HB H 1.733 0.030 1 334 34 34 ILE CG1 C 26.926 0.300 1 335 34 34 ILE HG12 H 0.988 0.030 2 336 34 34 ILE HG13 H 0.819 0.030 2 337 34 34 ILE CG2 C 16.732 0.300 1 338 34 34 ILE HG2 H 0.580 0.030 1 339 34 34 ILE CD1 C 14.380 0.300 1 340 34 34 ILE HD1 H 0.706 0.030 1 341 34 34 ILE C C 177.459 0.300 1 342 35 35 HIS N N 117.114 0.300 1 343 35 35 HIS H H 7.243 0.030 1 344 35 35 HIS CA C 55.496 0.300 1 345 35 35 HIS HA H 4.776 0.030 1 346 35 35 HIS CB C 28.583 0.300 1 347 35 35 HIS HB2 H 3.292 0.030 2 348 35 35 HIS HB3 H 3.255 0.030 2 349 35 35 HIS CD2 C 127.859 0.300 1 350 35 35 HIS HD2 H 6.690 0.030 1 351 35 35 HIS CE1 C 140.197 0.300 1 352 35 35 HIS HE1 H 8.045 0.030 1 353 35 35 HIS C C 175.451 0.300 1 354 36 36 THR N N 112.873 0.300 1 355 36 36 THR H H 7.691 0.030 1 356 36 36 THR CA C 62.256 0.300 1 357 36 36 THR HA H 4.377 0.030 1 358 36 36 THR CB C 69.760 0.300 1 359 36 36 THR HB H 4.307 0.030 1 360 36 36 THR CG2 C 21.725 0.300 1 361 36 36 THR HG2 H 1.237 0.030 1 362 36 36 THR C C 174.552 0.300 1 363 37 37 ARG N N 122.792 0.300 1 364 37 37 ARG H H 8.176 0.030 1 365 37 37 ARG CA C 56.728 0.300 1 366 37 37 ARG HA H 4.369 0.030 1 367 37 37 ARG CB C 30.703 0.300 1 368 37 37 ARG HB2 H 1.845 0.030 2 369 37 37 ARG HB3 H 1.912 0.030 2 370 37 37 ARG CG C 26.984 0.300 1 371 37 37 ARG HG2 H 1.680 0.030 2 372 37 37 ARG HG3 H 1.704 0.030 2 373 37 37 ARG CD C 43.486 0.300 1 374 37 37 ARG HD2 H 3.217 0.030 1 375 37 37 ARG HD3 H 3.217 0.030 1 376 37 37 ARG C C 176.742 0.300 1 377 38 38 GLY N N 110.024 0.300 1 378 38 38 GLY H H 8.396 0.030 1 379 38 38 GLY CA C 45.327 0.300 1 380 38 38 GLY HA2 H 3.983 0.030 1 381 38 38 GLY HA3 H 3.983 0.030 1 382 38 38 GLY C C 174.010 0.300 1 383 39 39 VAL N N 119.355 0.300 1 384 39 39 VAL H H 7.972 0.030 1 385 39 39 VAL CA C 62.275 0.300 1 386 39 39 VAL HA H 4.134 0.030 1 387 39 39 VAL CB C 32.877 0.300 1 388 39 39 VAL HB H 2.091 0.030 1 389 39 39 VAL CG1 C 20.506 0.300 2 390 39 39 VAL HG1 H 0.934 0.030 1 391 39 39 VAL CG2 C 21.170 0.300 2 392 39 39 VAL HG2 H 0.941 0.030 1 393 39 39 VAL C C 176.275 0.300 1 394 40 40 LYS N N 125.416 0.300 1 395 40 40 LYS H H 8.482 0.030 1 396 40 40 LYS CA C 56.257 0.300 1 397 40 40 LYS HA H 4.392 0.030 1 398 40 40 LYS CB C 33.006 0.300 1 399 40 40 LYS HB2 H 1.875 0.030 2 400 40 40 LYS HB3 H 1.780 0.030 2 401 40 40 LYS CG C 24.817 0.300 1 402 40 40 LYS HG2 H 1.449 0.030 1 403 40 40 LYS HG3 H 1.449 0.030 1 404 40 40 LYS CD C 29.257 0.300 1 405 40 40 LYS HD2 H 1.650 0.030 2 406 40 40 LYS CE C 42.073 0.300 1 407 40 40 LYS HE2 H 2.965 0.030 1 408 40 40 LYS HE3 H 2.965 0.030 1 409 40 40 LYS C C 176.346 0.300 1 410 41 41 SER N N 117.710 0.300 1 411 41 41 SER H H 8.326 0.030 1 412 41 41 SER CA C 58.775 0.300 1 413 41 41 SER HA H 4.491 0.030 1 414 41 41 SER CB C 63.841 0.300 1 415 41 41 SER HB2 H 3.933 0.030 2 416 41 41 SER HB3 H 3.874 0.030 2 417 41 41 SER C C 173.882 0.300 1 418 42 42 GLY N N 116.832 0.300 1 419 42 42 GLY H H 8.057 0.030 1 420 42 42 GLY CA C 44.640 0.300 1 421 42 42 GLY HA2 H 4.144 0.030 1 422 42 42 GLY HA3 H 4.144 0.030 1 423 42 42 GLY C C 178.957 0.300 1 424 43 43 PRO CA C 63.377 0.300 1 425 43 43 PRO HA H 4.491 0.030 1 426 43 43 PRO CB C 32.201 0.300 1 427 43 43 PRO HB2 H 1.993 0.030 2 428 43 43 PRO HB3 H 2.313 0.030 2 429 43 43 PRO CG C 27.092 0.300 1 430 43 43 PRO HG2 H 2.035 0.030 1 431 43 43 PRO HG3 H 2.035 0.030 1 432 43 43 PRO CD C 49.840 0.300 1 433 43 43 PRO HD2 H 3.645 0.030 1 434 43 43 PRO HD3 H 3.645 0.030 1 stop_ save_