data_11381 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first C2H2 type zinc finger domain of Zinc finger protein 32 ; _BMRB_accession_number 11381 _BMRB_flat_file_name bmr11381.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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" 184 "13C chemical shifts" 135 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the first C2H2 type zinc finger domain of Zinc finger protein 32 ; _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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 32' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger 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 'zinc finger domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; GSSGSSGQRVYECQECGKSF RQKGSLTLHERIHTGSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 ARG 10 VAL 11 TYR 12 GLU 13 CYS 14 GLN 15 GLU 16 CYS 17 GLY 18 LYS 19 SER 20 PHE 21 ARG 22 GLN 23 LYS 24 GLY 25 SER 26 LEU 27 THR 28 LEU 29 HIS 30 GLU 31 ARG 32 ILE 33 HIS 34 THR 35 GLY 36 SER 37 GLY 38 PRO 39 SER 40 SER 41 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 2EPT "Solution Structure Of The First C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 32" 100.00 41 100.00 100.00 9.68e-19 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 Jun 9 16:52:42 2009 ; 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_ #################### # 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' 'E. coli' Escherichia coli . plasmid P061204-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.08mM 13C-15N {PROTEIN;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O {;0.05mM} ZnCl2, 1mM IDA ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.08 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'zinc finger 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 HA2 H 3.982 0.030 2 2 7 7 GLY C C 173.950 0.300 1 3 7 7 GLY CA C 45.410 0.300 1 4 8 8 GLN H H 8.130 0.030 1 5 8 8 GLN HA H 4.342 0.030 1 6 8 8 GLN HB2 H 2.075 0.030 2 7 8 8 GLN HB3 H 1.936 0.030 2 8 8 8 GLN HE21 H 7.550 0.030 2 9 8 8 GLN HE22 H 6.879 0.030 2 10 8 8 GLN HG2 H 2.319 0.030 1 11 8 8 GLN HG3 H 2.319 0.030 1 12 8 8 GLN C C 175.577 0.300 1 13 8 8 GLN CA C 55.682 0.300 1 14 8 8 GLN CB C 29.607 0.300 1 15 8 8 GLN CG C 33.835 0.300 1 16 8 8 GLN N N 119.775 0.300 1 17 8 8 GLN NE2 N 112.619 0.300 1 18 9 9 ARG H H 8.371 0.030 1 19 9 9 ARG HA H 4.274 0.030 1 20 9 9 ARG HB2 H 1.719 0.030 2 21 9 9 ARG HB3 H 1.662 0.030 2 22 9 9 ARG HD2 H 3.119 0.030 1 23 9 9 ARG HD3 H 3.119 0.030 1 24 9 9 ARG HG2 H 1.441 0.030 1 25 9 9 ARG HG3 H 1.441 0.030 1 26 9 9 ARG C C 175.168 0.300 1 27 9 9 ARG CA C 56.053 0.300 1 28 9 9 ARG CB C 30.828 0.300 1 29 9 9 ARG CD C 43.233 0.300 1 30 9 9 ARG CG C 26.877 0.300 1 31 9 9 ARG N N 123.270 0.300 1 32 10 10 VAL H H 7.793 0.030 1 33 10 10 VAL HA H 4.348 0.030 1 34 10 10 VAL HB H 1.895 0.030 1 35 10 10 VAL HG1 H 0.776 0.030 1 36 10 10 VAL HG2 H 0.740 0.030 1 37 10 10 VAL C C 174.570 0.300 1 38 10 10 VAL CA C 60.695 0.300 1 39 10 10 VAL CB C 34.290 0.300 1 40 10 10 VAL CG1 C 21.517 0.300 2 41 10 10 VAL CG2 C 19.606 0.300 2 42 10 10 VAL N N 117.945 0.300 1 43 11 11 TYR H H 8.752 0.030 1 44 11 11 TYR HA H 4.626 0.030 1 45 11 11 TYR HB2 H 3.022 0.030 2 46 11 11 TYR HB3 H 2.746 0.030 2 47 11 11 TYR HD1 H 6.994 0.030 1 48 11 11 TYR HD2 H 6.994 0.030 1 49 11 11 TYR HE1 H 6.784 0.030 1 50 11 11 TYR HE2 H 6.784 0.030 1 51 11 11 TYR C C 174.601 0.300 1 52 11 11 TYR CA C 57.381 0.300 1 53 11 11 TYR CB C 39.426 0.300 1 54 11 11 TYR CD1 C 133.338 0.300 1 55 11 11 TYR CD2 C 133.338 0.300 1 56 11 11 TYR CE1 C 118.000 0.300 1 57 11 11 TYR CE2 C 118.000 0.300 1 58 11 11 TYR N N 123.637 0.300 1 59 12 12 GLU H H 8.764 0.030 1 60 12 12 GLU HA H 4.919 0.030 1 61 12 12 GLU HB2 H 1.795 0.030 1 62 12 12 GLU HB3 H 1.795 0.030 1 63 12 12 GLU HG2 H 1.980 0.030 2 64 12 12 GLU HG3 H 1.924 0.030 2 65 12 12 GLU C C 175.262 0.300 1 66 12 12 GLU CA C 54.870 0.300 1 67 12 12 GLU CB C 32.975 0.300 1 68 12 12 GLU CG C 36.585 0.300 1 69 12 12 GLU N N 124.225 0.300 1 70 13 13 CYS H H 9.200 0.030 1 71 13 13 CYS HA H 4.635 0.030 1 72 13 13 CYS HB2 H 3.369 0.030 2 73 13 13 CYS HB3 H 2.897 0.030 2 74 13 13 CYS C C 177.740 0.300 1 75 13 13 CYS CA C 59.672 0.300 1 76 13 13 CYS CB C 29.638 0.300 1 77 13 13 CYS N N 127.164 0.300 1 78 14 14 GLN H H 9.563 0.030 1 79 14 14 GLN HA H 4.169 0.030 1 80 14 14 GLN HB2 H 2.249 0.030 2 81 14 14 GLN HB3 H 2.163 0.030 2 82 14 14 GLN HE21 H 7.518 0.030 2 83 14 14 GLN HE22 H 6.999 0.030 2 84 14 14 GLN HG2 H 2.530 0.030 1 85 14 14 GLN HG3 H 2.530 0.030 1 86 14 14 GLN C C 176.005 0.300 1 87 14 14 GLN CA C 57.877 0.300 1 88 14 14 GLN CB C 28.836 0.300 1 89 14 14 GLN CG C 34.260 0.300 1 90 14 14 GLN N N 131.507 0.300 1 91 14 14 GLN NE2 N 113.225 0.300 1 92 15 15 GLU H H 8.690 0.030 1 93 15 15 GLU HA H 4.253 0.030 1 94 15 15 GLU HB2 H 1.372 0.030 2 95 15 15 GLU HB3 H 1.287 0.030 2 96 15 15 GLU HG2 H 1.842 0.030 2 97 15 15 GLU HG3 H 1.748 0.030 2 98 15 15 GLU C C 177.249 0.300 1 99 15 15 GLU CA C 58.063 0.300 1 100 15 15 GLU CB C 29.656 0.300 1 101 15 15 GLU CG C 35.252 0.300 1 102 15 15 GLU N N 120.323 0.300 1 103 16 16 CYS H H 8.071 0.030 1 104 16 16 CYS HA H 5.185 0.030 1 105 16 16 CYS HB2 H 3.455 0.030 2 106 16 16 CYS HB3 H 2.829 0.030 2 107 16 16 CYS C C 176.385 0.300 1 108 16 16 CYS CA C 58.445 0.300 1 109 16 16 CYS CB C 32.624 0.300 1 110 16 16 CYS N N 114.992 0.300 1 111 17 17 GLY H H 8.082 0.030 1 112 17 17 GLY HA2 H 4.221 0.030 2 113 17 17 GLY HA3 H 3.887 0.030 2 114 17 17 GLY C C 173.742 0.300 1 115 17 17 GLY CA C 46.234 0.300 1 116 17 17 GLY N N 113.159 0.300 1 117 18 18 LYS H H 7.976 0.030 1 118 18 18 LYS HA H 4.007 0.030 1 119 18 18 LYS HB2 H 1.212 0.030 2 120 18 18 LYS HB3 H 1.450 0.030 2 121 18 18 LYS HD2 H 1.524 0.030 2 122 18 18 LYS HD3 H 1.458 0.030 2 123 18 18 LYS HE2 H 3.003 0.030 2 124 18 18 LYS HE3 H 2.919 0.030 2 125 18 18 LYS HG2 H 1.105 0.030 2 126 18 18 LYS HG3 H 1.403 0.030 2 127 18 18 LYS C C 174.417 0.300 1 128 18 18 LYS CA C 58.141 0.300 1 129 18 18 LYS CB C 33.540 0.300 1 130 18 18 LYS CD C 29.267 0.300 1 131 18 18 LYS CE C 42.219 0.300 1 132 18 18 LYS CG C 26.149 0.300 1 133 18 18 LYS N N 123.158 0.300 1 134 19 19 SER H H 7.901 0.030 1 135 19 19 SER HA H 5.203 0.030 1 136 19 19 SER HB2 H 3.582 0.030 1 137 19 19 SER HB3 H 3.582 0.030 1 138 19 19 SER C C 173.173 0.300 1 139 19 19 SER CA C 56.883 0.300 1 140 19 19 SER CB C 65.956 0.300 1 141 19 19 SER N N 115.953 0.300 1 142 20 20 PHE H H 8.780 0.030 1 143 20 20 PHE HA H 4.781 0.030 1 144 20 20 PHE HB2 H 2.729 0.030 2 145 20 20 PHE HB3 H 3.426 0.030 2 146 20 20 PHE HD1 H 7.271 0.030 1 147 20 20 PHE HD2 H 7.271 0.030 1 148 20 20 PHE HE1 H 6.879 0.030 1 149 20 20 PHE HE2 H 6.879 0.030 1 150 20 20 PHE HZ H 6.392 0.030 1 151 20 20 PHE C C 175.351 0.300 1 152 20 20 PHE CA C 57.161 0.300 1 153 20 20 PHE CB C 43.887 0.300 1 154 20 20 PHE CD1 C 132.506 0.300 1 155 20 20 PHE CD2 C 132.506 0.300 1 156 20 20 PHE CE1 C 130.678 0.300 1 157 20 20 PHE CE2 C 130.678 0.300 1 158 20 20 PHE CZ C 128.811 0.300 1 159 20 20 PHE N N 119.075 0.300 1 160 21 21 ARG HA H 4.658 0.030 1 161 21 21 ARG HB2 H 1.943 0.030 2 162 21 21 ARG HB3 H 2.138 0.030 2 163 21 21 ARG HD2 H 3.280 0.030 1 164 21 21 ARG HD3 H 3.280 0.030 1 165 21 21 ARG HG2 H 1.854 0.030 2 166 21 21 ARG HG3 H 1.750 0.030 2 167 21 21 ARG C C 175.938 0.300 1 168 21 21 ARG CA C 57.087 0.300 1 169 21 21 ARG CB C 30.999 0.300 1 170 21 21 ARG CD C 43.165 0.300 1 171 21 21 ARG CG C 27.925 0.300 1 172 22 22 GLN H H 7.544 0.030 1 173 22 22 GLN HA H 4.749 0.030 1 174 22 22 GLN HB2 H 2.055 0.030 2 175 22 22 GLN HB3 H 2.230 0.030 2 176 22 22 GLN HE21 H 6.952 0.030 2 177 22 22 GLN HE22 H 7.575 0.030 2 178 22 22 GLN HG2 H 2.433 0.030 1 179 22 22 GLN HG3 H 2.433 0.030 1 180 22 22 GLN C C 175.829 0.300 1 181 22 22 GLN CA C 54.080 0.300 1 182 22 22 GLN CB C 31.335 0.300 1 183 22 22 GLN CG C 33.750 0.300 1 184 22 22 GLN N N 114.301 0.300 1 185 22 22 GLN NE2 N 112.315 0.300 1 186 23 23 LYS H H 8.563 0.030 1 187 23 23 LYS HA H 3.012 0.030 1 188 23 23 LYS HB2 H 1.453 0.030 2 189 23 23 LYS HB3 H 1.040 0.030 2 190 23 23 LYS HD2 H 1.576 0.030 2 191 23 23 LYS HD3 H 1.464 0.030 2 192 23 23 LYS HE2 H 2.878 0.030 1 193 23 23 LYS HE3 H 2.878 0.030 1 194 23 23 LYS HG2 H 1.179 0.030 2 195 23 23 LYS HG3 H 1.009 0.030 2 196 23 23 LYS C C 178.561 0.300 1 197 23 23 LYS CA C 59.252 0.300 1 198 23 23 LYS CB C 31.724 0.300 1 199 23 23 LYS CD C 28.816 0.300 1 200 23 23 LYS CE C 42.224 0.300 1 201 23 23 LYS CG C 24.746 0.300 1 202 23 23 LYS N N 126.738 0.300 1 203 24 24 GLY HA2 H 3.736 0.030 2 204 24 24 GLY HA3 H 3.830 0.030 2 205 24 24 GLY C C 176.660 0.300 1 206 24 24 GLY CA C 46.899 0.300 1 207 25 25 SER H H 7.026 0.030 1 208 25 25 SER HA H 4.191 0.030 1 209 25 25 SER HB2 H 4.002 0.030 2 210 25 25 SER HB3 H 3.922 0.030 2 211 25 25 SER C C 176.137 0.300 1 212 25 25 SER CA C 60.933 0.300 1 213 25 25 SER CB C 62.547 0.300 1 214 25 25 SER N N 115.603 0.300 1 215 26 26 LEU H H 6.991 0.030 1 216 26 26 LEU HA H 3.316 0.030 1 217 26 26 LEU HB2 H 2.075 0.030 2 218 26 26 LEU HB3 H 1.221 0.030 2 219 26 26 LEU HD1 H 0.992 0.030 1 220 26 26 LEU HD2 H 1.062 0.030 1 221 26 26 LEU HG H 1.585 0.030 1 222 26 26 LEU C C 177.359 0.300 1 223 26 26 LEU CA C 57.938 0.300 1 224 26 26 LEU CB C 39.670 0.300 1 225 26 26 LEU CD1 C 26.906 0.300 2 226 26 26 LEU CD2 C 22.840 0.300 2 227 26 26 LEU CG C 27.463 0.300 1 228 26 26 LEU N N 124.572 0.300 1 229 27 27 THR H H 8.325 0.030 1 230 27 27 THR HA H 3.952 0.030 1 231 27 27 THR HB H 4.084 0.030 1 232 27 27 THR HG2 H 1.200 0.030 1 233 27 27 THR C C 176.766 0.300 1 234 27 27 THR CA C 66.393 0.300 1 235 27 27 THR CB C 68.558 0.300 1 236 27 27 THR CG2 C 22.176 0.300 1 237 27 27 THR N N 116.148 0.300 1 238 28 28 LEU H H 7.338 0.030 1 239 28 28 LEU HA H 4.001 0.030 1 240 28 28 LEU HB2 H 1.545 0.030 2 241 28 28 LEU HB3 H 1.654 0.030 2 242 28 28 LEU HD1 H 0.872 0.030 1 243 28 28 LEU HD2 H 0.842 0.030 1 244 28 28 LEU HG H 1.661 0.030 1 245 28 28 LEU C C 179.433 0.300 1 246 28 28 LEU CA C 57.888 0.300 1 247 28 28 LEU CB C 42.023 0.300 1 248 28 28 LEU CD1 C 24.681 0.300 2 249 28 28 LEU CD2 C 23.420 0.300 2 250 28 28 LEU CG C 26.982 0.300 1 251 28 28 LEU N N 119.463 0.300 1 252 29 29 HIS H H 7.496 0.030 1 253 29 29 HIS HA H 4.168 0.030 1 254 29 29 HIS HB2 H 2.953 0.030 2 255 29 29 HIS HB3 H 3.240 0.030 2 256 29 29 HIS HD2 H 7.017 0.030 1 257 29 29 HIS HE1 H 8.032 0.030 1 258 29 29 HIS C C 176.236 0.300 1 259 29 29 HIS CA C 59.409 0.300 1 260 29 29 HIS CB C 28.730 0.300 1 261 29 29 HIS CD2 C 127.394 0.300 1 262 29 29 HIS CE1 C 139.553 0.300 1 263 29 29 HIS N N 119.747 0.300 1 264 30 30 GLU H H 8.575 0.030 1 265 30 30 GLU HA H 3.697 0.030 1 266 30 30 GLU HB2 H 2.299 0.030 2 267 30 30 GLU HB3 H 2.157 0.030 2 268 30 30 GLU HG2 H 2.747 0.030 2 269 30 30 GLU HG3 H 2.638 0.030 2 270 30 30 GLU C C 178.027 0.300 1 271 30 30 GLU CA C 59.892 0.300 1 272 30 30 GLU CB C 29.902 0.300 1 273 30 30 GLU CG C 37.830 0.300 1 274 30 30 GLU N N 116.256 0.300 1 275 31 31 ARG H H 7.082 0.030 1 276 31 31 ARG HA H 4.141 0.030 1 277 31 31 ARG HB2 H 1.897 0.030 2 278 31 31 ARG HB3 H 1.808 0.030 2 279 31 31 ARG HD2 H 3.202 0.030 1 280 31 31 ARG HD3 H 3.202 0.030 1 281 31 31 ARG HG2 H 1.723 0.030 2 282 31 31 ARG HG3 H 1.887 0.030 2 283 31 31 ARG C C 178.665 0.300 1 284 31 31 ARG CA C 58.263 0.300 1 285 31 31 ARG CB C 30.174 0.300 1 286 31 31 ARG CD C 43.622 0.300 1 287 31 31 ARG CG C 27.215 0.300 1 288 31 31 ARG N N 116.796 0.300 1 289 32 32 ILE H H 7.903 0.030 1 290 32 32 ILE HA H 3.976 0.030 1 291 32 32 ILE HB H 1.691 0.030 1 292 32 32 ILE HD1 H 0.702 0.030 1 293 32 32 ILE HG12 H 0.935 0.030 2 294 32 32 ILE HG13 H 0.709 0.030 2 295 32 32 ILE HG2 H 0.579 0.030 1 296 32 32 ILE C C 177.295 0.300 1 297 32 32 ILE CA C 63.085 0.300 1 298 32 32 ILE CB C 37.708 0.300 1 299 32 32 ILE CD1 C 14.463 0.300 1 300 32 32 ILE CG1 C 26.573 0.300 1 301 32 32 ILE CG2 C 16.469 0.300 1 302 32 32 ILE N N 116.261 0.300 1 303 33 33 HIS H H 7.235 0.030 1 304 33 33 HIS HA H 4.859 0.030 1 305 33 33 HIS HB2 H 3.366 0.030 2 306 33 33 HIS HB3 H 3.260 0.030 2 307 33 33 HIS HD2 H 6.789 0.030 1 308 33 33 HIS HE1 H 8.070 0.030 1 309 33 33 HIS C C 175.527 0.300 1 310 33 33 HIS CA C 55.184 0.300 1 311 33 33 HIS CB C 28.588 0.300 1 312 33 33 HIS CD2 C 127.882 0.300 1 313 33 33 HIS CE1 C 140.037 0.300 1 314 33 33 HIS N N 117.759 0.300 1 315 34 34 THR H H 7.759 0.030 1 316 34 34 THR HA H 4.391 0.030 1 317 34 34 THR HB H 4.329 0.030 1 318 34 34 THR HG2 H 1.256 0.030 1 319 34 34 THR C C 175.382 0.300 1 320 34 34 THR CA C 62.376 0.300 1 321 34 34 THR CB C 69.950 0.300 1 322 34 34 THR CG2 C 21.585 0.300 1 323 34 34 THR N N 111.730 0.300 1 324 35 35 GLY H H 8.308 0.030 1 325 35 35 GLY HA2 H 4.152 0.030 2 326 35 35 GLY HA3 H 4.098 0.030 2 327 35 35 GLY C C 171.702 0.300 1 328 35 35 GLY CA C 44.729 0.300 1 329 35 35 GLY N N 110.799 0.300 1 330 38 38 PRO HA H 4.484 0.030 1 331 38 38 PRO HB2 H 2.300 0.030 2 332 38 38 PRO HB3 H 1.986 0.030 2 333 38 38 PRO HD2 H 3.634 0.030 1 334 38 38 PRO HD3 H 3.634 0.030 1 335 38 38 PRO HG2 H 2.024 0.030 1 336 38 38 PRO HG3 H 2.024 0.030 1 337 38 38 PRO C C 177.346 0.300 1 338 38 38 PRO CA C 63.272 0.300 1 339 38 38 PRO CB C 32.229 0.300 1 340 38 38 PRO CD C 49.810 0.300 1 341 38 38 PRO CG C 27.194 0.300 1 342 39 39 SER H H 8.517 0.030 1 343 39 39 SER HA H 4.531 0.030 1 344 39 39 SER HB2 H 3.877 0.030 2 345 39 39 SER HB3 H 3.918 0.030 2 346 39 39 SER C C 174.631 0.300 1 347 39 39 SER CA C 58.410 0.300 1 348 39 39 SER CB C 63.988 0.300 1 349 39 39 SER N N 116.389 0.300 1 stop_ save_