data_10210 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 528-560) of human Zinc finger protein 28 homolog ; _BMRB_accession_number 10210 _BMRB_flat_file_name bmr10210.str _Entry_type original _Submission_date 2008-03-18 _Accession_date 2008-03-18 _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" 214 "13C chemical shifts" 155 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-18 original author . stop_ _Original_release_date 2009-03-18 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 528-560) of human Zinc finger protein 28 homolog ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger protein 28 homolog' _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 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYKCDVCHK SFRYGSSLTVHQRIHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 LYS 15 CYS 16 ASP 17 VAL 18 CYS 19 HIS 20 LYS 21 SER 22 PHE 23 ARG 24 TYR 25 GLY 26 SER 27 SER 28 LEU 29 THR 30 VAL 31 HIS 32 GLN 33 ARG 34 ILE 35 HIS 36 THR 37 GLY 38 GLU 39 LYS 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 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 2EP0 "Solution Structure Of The C2h2 Type Zinc Finger (Region 528- 560) Of Human Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 5.97e-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 P061225-31 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 700 _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 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 8 8 THR CA C 61.784 0.300 1 2 8 8 THR HA H 4.319 0.030 1 3 8 8 THR CB C 69.847 0.300 1 4 8 8 THR HB H 4.305 0.030 1 5 8 8 THR CG2 C 21.506 0.300 1 6 8 8 THR HG2 H 1.156 0.030 1 7 8 8 THR C C 175.419 0.300 1 8 9 9 GLY N N 110.845 0.300 1 9 9 9 GLY H H 8.420 0.030 1 10 9 9 GLY CA C 45.170 0.300 1 11 9 9 GLY HA2 H 3.904 0.030 1 12 9 9 GLY HA3 H 3.904 0.030 1 13 9 9 GLY C C 174.056 0.300 1 14 10 10 GLU N N 120.245 0.300 1 15 10 10 GLU H H 8.182 0.030 1 16 10 10 GLU CA C 56.868 0.300 1 17 10 10 GLU HA H 4.130 0.030 1 18 10 10 GLU CB C 30.270 0.300 1 19 10 10 GLU HB2 H 1.875 0.030 2 20 10 10 GLU HB3 H 1.947 0.030 2 21 10 10 GLU CG C 36.426 0.300 1 22 10 10 GLU HG2 H 2.207 0.030 2 23 10 10 GLU HG3 H 2.172 0.030 2 24 10 10 GLU C C 176.191 0.300 1 25 11 11 LYS N N 121.318 0.300 1 26 11 11 LYS H H 8.244 0.030 1 27 11 11 LYS CA C 53.800 0.300 1 28 11 11 LYS HA H 4.483 0.030 1 29 11 11 LYS CB C 32.900 0.300 1 30 11 11 LYS HB2 H 1.556 0.030 2 31 11 11 LYS HB3 H 1.359 0.030 2 32 11 11 LYS CG C 24.962 0.300 1 33 11 11 LYS HG2 H 1.283 0.030 2 34 11 11 LYS HG3 H 1.040 0.030 2 35 11 11 LYS CD C 29.516 0.300 1 36 11 11 LYS HD2 H 1.472 0.030 2 37 11 11 LYS HD3 H 1.427 0.030 2 38 11 11 LYS CE C 42.128 0.300 1 39 11 11 LYS HE2 H 2.855 0.030 1 40 11 11 LYS HE3 H 2.855 0.030 1 41 11 11 LYS C C 174.450 0.300 1 42 12 12 PRO CA C 63.627 0.300 1 43 12 12 PRO HA H 4.275 0.030 1 44 12 12 PRO CB C 32.265 0.300 1 45 12 12 PRO HB2 H 2.000 0.030 2 46 12 12 PRO HB3 H 1.368 0.030 2 47 12 12 PRO CG C 26.661 0.300 1 48 12 12 PRO HG2 H 1.808 0.030 2 49 12 12 PRO HG3 H 1.668 0.030 2 50 12 12 PRO CD C 50.234 0.300 1 51 12 12 PRO HD2 H 3.689 0.030 2 52 12 12 PRO HD3 H 3.599 0.030 2 53 12 12 PRO C C 176.363 0.300 1 54 13 13 TYR N N 118.698 0.300 1 55 13 13 TYR H H 7.867 0.030 1 56 13 13 TYR CA C 57.667 0.300 1 57 13 13 TYR HA H 4.544 0.030 1 58 13 13 TYR CB C 38.526 0.300 1 59 13 13 TYR HB2 H 2.886 0.030 2 60 13 13 TYR HB3 H 2.848 0.030 2 61 13 13 TYR CD1 C 133.416 0.300 1 62 13 13 TYR HD1 H 6.992 0.030 1 63 13 13 TYR CD2 C 133.416 0.300 1 64 13 13 TYR HD2 H 6.992 0.030 1 65 13 13 TYR CE1 C 118.289 0.300 1 66 13 13 TYR HE1 H 6.891 0.030 1 67 13 13 TYR CE2 C 118.289 0.300 1 68 13 13 TYR HE2 H 6.891 0.030 1 69 13 13 TYR C C 174.411 0.300 1 70 14 14 LYS N N 124.941 0.300 1 71 14 14 LYS H H 8.654 0.030 1 72 14 14 LYS CA C 54.893 0.300 1 73 14 14 LYS HA H 4.963 0.030 1 74 14 14 LYS CB C 35.303 0.300 1 75 14 14 LYS HB2 H 1.643 0.030 2 76 14 14 LYS HB3 H 1.560 0.030 2 77 14 14 LYS CG C 24.466 0.300 1 78 14 14 LYS HG2 H 1.176 0.030 1 79 14 14 LYS HG3 H 1.176 0.030 1 80 14 14 LYS CD C 29.330 0.300 1 81 14 14 LYS HD2 H 1.548 0.030 1 82 14 14 LYS HD3 H 1.548 0.030 1 83 14 14 LYS CE C 41.772 0.300 1 84 14 14 LYS HE2 H 2.876 0.030 1 85 14 14 LYS HE3 H 2.876 0.030 1 86 14 14 LYS C C 175.030 0.300 1 87 15 15 CYS N N 126.764 0.300 1 88 15 15 CYS H H 9.018 0.030 1 89 15 15 CYS CA C 59.556 0.300 1 90 15 15 CYS HA H 4.477 0.030 1 91 15 15 CYS CB C 29.711 0.300 1 92 15 15 CYS HB2 H 3.305 0.030 2 93 15 15 CYS HB3 H 2.804 0.030 2 94 15 15 CYS C C 176.438 0.300 1 95 16 16 ASP N N 130.452 0.300 1 96 16 16 ASP H H 9.146 0.030 1 97 16 16 ASP CA C 56.059 0.300 1 98 16 16 ASP HA H 4.418 0.030 1 99 16 16 ASP CB C 40.594 0.300 1 100 16 16 ASP HB2 H 2.739 0.030 1 101 16 16 ASP HB3 H 2.739 0.030 1 102 16 16 ASP C C 175.426 0.300 1 103 17 17 VAL N N 120.987 0.300 1 104 17 17 VAL H H 8.652 0.030 1 105 17 17 VAL CA C 64.823 0.300 1 106 17 17 VAL HA H 3.696 0.030 1 107 17 17 VAL CB C 33.002 0.300 1 108 17 17 VAL HB H 1.094 0.030 1 109 17 17 VAL CG1 C 21.233 0.300 2 110 17 17 VAL HG1 H 0.733 0.030 1 111 17 17 VAL CG2 C 20.233 0.300 2 112 17 17 VAL HG2 H 0.258 0.030 1 113 17 17 VAL C C 176.458 0.300 1 114 18 18 CYS N N 115.671 0.300 1 115 18 18 CYS H H 7.886 0.030 1 116 18 18 CYS CA C 57.837 0.300 1 117 18 18 CYS HA H 4.894 0.030 1 118 18 18 CYS CB C 31.838 0.300 1 119 18 18 CYS HB2 H 3.394 0.030 2 120 18 18 CYS HB3 H 2.748 0.030 2 121 18 18 CYS C C 175.672 0.300 1 122 19 19 HIS N N 116.359 0.300 1 123 19 19 HIS H H 7.660 0.030 1 124 19 19 HIS CA C 57.841 0.300 1 125 19 19 HIS HA H 4.496 0.030 1 126 19 19 HIS CB C 27.348 0.300 1 127 19 19 HIS HB2 H 3.269 0.030 2 128 19 19 HIS HB3 H 3.511 0.030 2 129 19 19 HIS CD2 C 118.602 0.300 1 130 19 19 HIS HD2 H 6.930 0.030 1 131 19 19 HIS CE1 C 137.930 0.300 1 132 19 19 HIS HE1 H 7.931 0.030 1 133 19 19 HIS C C 174.238 0.300 1 134 20 20 LYS N N 122.372 0.300 1 135 20 20 LYS H H 7.838 0.030 1 136 20 20 LYS CA C 57.897 0.300 1 137 20 20 LYS HA H 4.131 0.030 1 138 20 20 LYS CB C 34.042 0.300 1 139 20 20 LYS HB2 H 1.419 0.030 2 140 20 20 LYS HB3 H 1.251 0.030 2 141 20 20 LYS CG C 26.293 0.300 1 142 20 20 LYS HG2 H 1.461 0.030 2 143 20 20 LYS HG3 H 1.107 0.030 2 144 20 20 LYS CD C 29.437 0.300 1 145 20 20 LYS HD2 H 1.470 0.030 2 146 20 20 LYS HD3 H 1.537 0.030 2 147 20 20 LYS CE C 42.232 0.300 1 148 20 20 LYS HE2 H 2.973 0.030 2 149 20 20 LYS HE3 H 2.932 0.030 2 150 20 20 LYS C C 174.512 0.300 1 151 21 21 SER N N 115.643 0.300 1 152 21 21 SER H H 7.862 0.030 1 153 21 21 SER CA C 56.970 0.300 1 154 21 21 SER HA H 5.289 0.030 1 155 21 21 SER CB C 66.008 0.300 1 156 21 21 SER HB2 H 3.608 0.030 1 157 21 21 SER HB3 H 3.608 0.030 1 158 21 21 SER C C 173.011 0.300 1 159 22 22 PHE N N 117.902 0.300 1 160 22 22 PHE H H 8.876 0.030 1 161 22 22 PHE CA C 57.348 0.300 1 162 22 22 PHE HA H 4.673 0.030 1 163 22 22 PHE CB C 43.619 0.300 1 164 22 22 PHE HB2 H 3.402 0.030 2 165 22 22 PHE HB3 H 2.586 0.030 2 166 22 22 PHE CD1 C 132.286 0.300 1 167 22 22 PHE HD1 H 7.183 0.030 1 168 22 22 PHE CD2 C 132.286 0.300 1 169 22 22 PHE HD2 H 7.183 0.030 1 170 22 22 PHE CE1 C 130.653 0.300 1 171 22 22 PHE HE1 H 6.806 0.030 1 172 22 22 PHE CE2 C 130.653 0.300 1 173 22 22 PHE HE2 H 6.806 0.030 1 174 22 22 PHE CZ C 128.547 0.300 1 175 22 22 PHE HZ H 6.132 0.030 1 176 22 22 PHE C C 174.751 0.300 1 177 23 23 ARG CA C 58.414 0.300 1 178 23 23 ARG HA H 4.207 0.030 1 179 23 23 ARG CB C 31.078 0.300 1 180 23 23 ARG HB2 H 1.568 0.030 2 181 23 23 ARG HB3 H 1.405 0.030 2 182 23 23 ARG CG C 27.220 0.300 1 183 23 23 ARG HG2 H 1.331 0.030 2 184 23 23 ARG HG3 H 1.061 0.030 2 185 23 23 ARG CD C 43.461 0.300 1 186 23 23 ARG HD2 H 3.055 0.030 2 187 23 23 ARG HD3 H 3.001 0.030 2 188 23 23 ARG C C 175.172 0.300 1 189 24 24 TYR N N 112.481 0.300 1 190 24 24 TYR H H 7.392 0.030 1 191 24 24 TYR CA C 55.424 0.300 1 192 24 24 TYR HA H 4.990 0.030 1 193 24 24 TYR CB C 41.056 0.300 1 194 24 24 TYR HB2 H 3.275 0.030 2 195 24 24 TYR HB3 H 2.741 0.030 2 196 24 24 TYR CD1 C 133.634 0.300 1 197 24 24 TYR HD1 H 7.266 0.030 1 198 24 24 TYR CD2 C 133.634 0.300 1 199 24 24 TYR HD2 H 7.266 0.030 1 200 24 24 TYR CE1 C 118.052 0.300 1 201 24 24 TYR HE1 H 6.875 0.030 1 202 24 24 TYR CE2 C 118.052 0.300 1 203 24 24 TYR HE2 H 6.875 0.030 1 204 24 24 TYR C C 176.547 0.300 1 205 25 25 GLY N N 113.229 0.300 1 206 25 25 GLY H H 8.444 0.030 1 207 25 25 GLY CA C 46.807 0.300 1 208 25 25 GLY HA2 H 3.339 0.030 2 209 25 25 GLY HA3 H 2.763 0.030 2 210 25 25 GLY C C 176.648 0.300 1 211 26 26 SER CA C 60.443 0.300 1 212 26 26 SER HA H 4.070 0.030 1 213 26 26 SER CB C 61.509 0.300 1 214 26 26 SER HB2 H 3.827 0.030 1 215 26 26 SER HB3 H 3.827 0.030 1 216 27 27 SER N N 117.119 0.300 1 217 27 27 SER H H 6.975 0.030 1 218 27 27 SER CA C 60.612 0.300 1 219 27 27 SER HA H 4.193 0.030 1 220 27 27 SER CB C 62.516 0.300 1 221 27 27 SER HB2 H 4.079 0.030 2 222 27 27 SER HB3 H 3.950 0.030 2 223 28 28 LEU N N 123.770 0.300 1 224 28 28 LEU H H 7.044 0.030 1 225 28 28 LEU CA C 57.811 0.300 1 226 28 28 LEU HA H 3.243 0.030 1 227 28 28 LEU CB C 40.095 0.300 1 228 28 28 LEU HB2 H 2.019 0.030 2 229 28 28 LEU HB3 H 1.154 0.030 2 230 28 28 LEU CG C 27.425 0.300 1 231 28 28 LEU HG H 1.472 0.030 1 232 28 28 LEU CD1 C 22.946 0.300 2 233 28 28 LEU HD1 H 0.953 0.030 1 234 28 28 LEU CD2 C 26.322 0.300 2 235 28 28 LEU HD2 H 1.012 0.030 1 236 28 28 LEU C C 177.169 0.300 1 237 29 29 THR N N 116.170 0.300 1 238 29 29 THR H H 8.074 0.030 1 239 29 29 THR CA C 66.661 0.300 1 240 29 29 THR HA H 3.920 0.030 1 241 29 29 THR CB C 68.519 0.300 1 242 29 29 THR HB H 4.095 0.030 1 243 29 29 THR CG2 C 22.014 0.300 1 244 29 29 THR HG2 H 1.154 0.030 1 245 29 29 THR C C 176.819 0.300 1 246 30 30 VAL N N 119.670 0.300 1 247 30 30 VAL H H 7.348 0.030 1 248 30 30 VAL CA C 66.447 0.300 1 249 30 30 VAL HA H 3.514 0.030 1 250 30 30 VAL CB C 32.129 0.300 1 251 30 30 VAL HB H 1.911 0.030 1 252 30 30 VAL CG1 C 21.089 0.300 2 253 30 30 VAL HG1 H 0.895 0.030 1 254 30 30 VAL CG2 C 22.499 0.300 2 255 30 30 VAL HG2 H 0.994 0.030 1 256 30 30 VAL C C 178.591 0.300 1 257 31 31 HIS N N 120.141 0.300 1 258 31 31 HIS H H 7.568 0.030 1 259 31 31 HIS CA C 59.358 0.300 1 260 31 31 HIS HA H 4.126 0.030 1 261 31 31 HIS CB C 28.376 0.300 1 262 31 31 HIS HB2 H 3.093 0.030 2 263 31 31 HIS HB3 H 2.835 0.030 2 264 31 31 HIS CD2 C 126.814 0.300 1 265 31 31 HIS HD2 H 6.844 0.030 1 266 31 31 HIS CE1 C 139.600 0.300 1 267 31 31 HIS HE1 H 8.034 0.030 1 268 31 31 HIS C C 176.177 0.300 1 269 32 32 GLN N N 114.511 0.300 1 270 32 32 GLN H H 8.405 0.030 1 271 32 32 GLN CA C 59.401 0.300 1 272 32 32 GLN HA H 3.641 0.030 1 273 32 32 GLN CB C 28.353 0.300 1 274 32 32 GLN HB2 H 2.310 0.030 2 275 32 32 GLN HB3 H 2.170 0.030 2 276 32 32 GLN CG C 35.401 0.300 1 277 32 32 GLN HG2 H 2.801 0.030 2 278 32 32 GLN HG3 H 2.741 0.030 2 279 32 32 GLN NE2 N 112.569 0.300 1 280 32 32 GLN HE21 H 7.583 0.030 2 281 32 32 GLN HE22 H 7.043 0.030 2 282 32 32 GLN C C 177.404 0.300 1 283 33 33 ARG N N 117.508 0.300 1 284 33 33 ARG H H 7.166 0.030 1 285 33 33 ARG CA C 58.468 0.300 1 286 33 33 ARG HA H 4.118 0.030 1 287 33 33 ARG CB C 30.021 0.300 1 288 33 33 ARG HB2 H 1.881 0.030 2 289 33 33 ARG HB3 H 1.756 0.030 2 290 33 33 ARG CG C 27.705 0.300 1 291 33 33 ARG HG2 H 1.860 0.030 2 292 33 33 ARG HG3 H 1.641 0.030 2 293 33 33 ARG CD C 43.727 0.300 1 294 33 33 ARG HD2 H 3.167 0.030 1 295 33 33 ARG HD3 H 3.167 0.030 1 296 33 33 ARG C C 178.686 0.300 1 297 34 34 ILE N N 115.983 0.300 1 298 34 34 ILE H H 7.823 0.030 1 299 34 34 ILE CA C 63.142 0.300 1 300 34 34 ILE HA H 3.945 0.030 1 301 34 34 ILE CB C 37.712 0.300 1 302 34 34 ILE HB H 1.616 0.030 1 303 34 34 ILE CG1 C 26.408 0.300 1 304 34 34 ILE HG12 H 0.867 0.030 2 305 34 34 ILE HG13 H 0.668 0.030 2 306 34 34 ILE CG2 C 16.291 0.300 1 307 34 34 ILE HG2 H 0.553 0.030 1 308 34 34 ILE CD1 C 14.455 0.300 1 309 34 34 ILE HD1 H 0.671 0.030 1 310 34 34 ILE C C 177.354 0.300 1 311 35 35 HIS N N 117.112 0.300 1 312 35 35 HIS H H 7.179 0.030 1 313 35 35 HIS CA C 54.859 0.300 1 314 35 35 HIS HA H 4.905 0.030 1 315 35 35 HIS CB C 28.376 0.300 1 316 35 35 HIS HB2 H 3.358 0.030 2 317 35 35 HIS HB3 H 3.291 0.030 2 318 35 35 HIS CD2 C 127.656 0.300 1 319 35 35 HIS HD2 H 6.724 0.030 1 320 35 35 HIS CE1 C 140.261 0.300 1 321 35 35 HIS HE1 H 8.077 0.030 1 322 35 35 HIS C C 175.680 0.300 1 323 36 36 THR N N 112.051 0.300 1 324 36 36 THR H H 7.737 0.030 1 325 36 36 THR CA C 62.670 0.300 1 326 36 36 THR HA H 4.312 0.030 1 327 36 36 THR CB C 69.743 0.300 1 328 36 36 THR HB H 4.296 0.030 1 329 36 36 THR CG2 C 21.547 0.300 1 330 36 36 THR HG2 H 1.221 0.030 1 331 36 36 THR C C 175.483 0.300 1 332 37 37 GLY N N 110.845 0.300 1 333 37 37 GLY H H 8.289 0.030 1 334 37 37 GLY CA C 45.151 0.300 1 335 37 37 GLY HA2 H 3.988 0.030 2 336 37 37 GLY HA3 H 3.945 0.030 2 337 37 37 GLY C C 174.025 0.300 1 338 38 38 GLU N N 120.598 0.300 1 339 38 38 GLU H H 8.039 0.030 1 340 38 38 GLU CA C 56.442 0.300 1 341 38 38 GLU HA H 4.220 0.030 1 342 38 38 GLU CB C 30.525 0.300 1 343 38 38 GLU HB2 H 1.960 0.030 2 344 38 38 GLU HB3 H 1.897 0.030 2 345 38 38 GLU CG C 36.276 0.300 1 346 38 38 GLU HG2 H 2.249 0.030 2 347 38 38 GLU HG3 H 2.191 0.030 2 348 38 38 GLU C C 176.246 0.300 1 349 39 39 LYS N N 123.884 0.300 1 350 39 39 LYS H H 8.420 0.030 1 351 39 39 LYS CA C 54.071 0.300 1 352 39 39 LYS HA H 4.590 0.030 1 353 39 39 LYS CB C 32.486 0.300 1 354 39 39 LYS HB2 H 1.790 0.030 2 355 39 39 LYS HB3 H 1.702 0.030 2 356 39 39 LYS CG C 24.492 0.300 1 357 39 39 LYS HG2 H 1.438 0.030 1 358 39 39 LYS HG3 H 1.438 0.030 1 359 39 39 LYS CD C 29.109 0.300 1 360 39 39 LYS HD2 H 1.664 0.030 1 361 39 39 LYS HD3 H 1.664 0.030 1 362 39 39 LYS CE C 42.199 0.300 1 363 39 39 LYS HE2 H 2.990 0.030 1 364 39 39 LYS HE3 H 2.990 0.030 1 365 39 39 LYS C C 174.070 0.300 1 366 40 40 PRO CA C 63.186 0.300 1 367 40 40 PRO HA H 4.436 0.030 1 368 40 40 PRO CB C 32.163 0.300 1 369 40 40 PRO HB2 H 2.279 0.030 2 370 40 40 PRO HB3 H 1.916 0.030 2 371 40 40 PRO CG C 27.510 0.300 1 372 40 40 PRO HG2 H 1.990 0.030 1 373 40 40 PRO HG3 H 1.990 0.030 1 374 40 40 PRO CD C 50.674 0.300 1 375 40 40 PRO HD2 H 3.789 0.030 2 376 40 40 PRO HD3 H 3.624 0.030 2 377 41 41 SER N N 116.479 0.300 1 378 41 41 SER H H 8.459 0.030 1 379 41 41 SER CA C 58.355 0.300 1 380 41 41 SER HA H 4.461 0.030 1 381 41 41 SER CB C 63.936 0.300 1 382 41 41 SER HB2 H 3.866 0.030 1 383 41 41 SER HB3 H 3.866 0.030 1 384 42 42 GLY N N 110.647 0.300 1 385 42 42 GLY H H 8.218 0.030 1 386 42 42 GLY CA C 44.626 0.300 1 387 42 42 GLY HA2 H 4.134 0.030 2 388 42 42 GLY HA3 H 4.086 0.030 2 389 43 43 PRO CA C 63.176 0.300 1 390 43 43 PRO HA H 4.434 0.030 1 391 43 43 PRO CB C 32.113 0.300 1 392 43 43 PRO HB2 H 2.277 0.030 2 393 43 43 PRO HB3 H 1.917 0.030 2 394 43 43 PRO CG C 27.255 0.300 1 395 43 43 PRO HG2 H 1.990 0.030 1 396 43 43 PRO HG3 H 1.990 0.030 1 397 43 43 PRO CD C 49.763 0.300 1 398 43 43 PRO HD2 H 3.602 0.030 1 399 43 43 PRO HD3 H 3.602 0.030 1 400 44 44 SER N N 116.453 0.300 1 401 44 44 SER H H 8.524 0.030 1 stop_ save_