data_16814 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the three-Cys2His2 domain of mouse testis zinc finger protein ; _BMRB_accession_number 16814 _BMRB_flat_file_name bmr16814.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Chou Chun-Chi . . 2 Lou Yuan-Chao . . 3 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 152 "13C chemical shifts" 110 "15N chemical shifts" 26 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-27 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16815 'mouse testis zinc finger protein' stop_ _Original_release_date 2010-07-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and DNA binding characteristics of the three-Cys2His2 domain of mouse testis zinc finger protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20544958 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chou Chun-Chi . . 2 Lou Yuan-Chao . . 3 Tang Tang K. . 4 Chen Chinpan . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 78 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2202 _Page_last 2212 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name mTZD_finger1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger protein' $mTZD_finger1 '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_mTZD_finger1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mTZD_finger1 _Name_variant @ _Abbreviation_common @ _Molecular_mass 3339.8 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; MRPYSCSVCGKRFSLKHQME THYRVHTG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 PRO 4 TYR 5 SER 6 CYS 7 SER 8 VAL 9 CYS 10 GLY 11 LYS 12 ARG 13 PHE 14 SER 15 LEU 16 LYS 17 HIS 18 GLN 19 MET 20 GLU 21 THR 22 HIS 23 TYR 24 ARG 25 VAL 26 HIS 27 THR 28 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 2KVF "Structure Of The Three-Cys2his2 Domain Of Mouse Testis Zinc Finger Protein" 100.00 28 100.00 100.00 2.56e-11 GB AAF61244 "repressor of GATA [Mus musculus]" 96.43 465 100.00 100.00 6.81e-10 GB AAI37688 "Zinc finger and BTB domain containing 32 [Mus musculus]" 96.43 465 100.00 100.00 6.88e-10 GB AAK13198 "zinc finger protein TZFP [Mus musculus]" 96.43 465 100.00 100.00 6.81e-10 GB EDL24005 "zinc finger and BTB domain containing 32 [Mus musculus]" 96.43 465 100.00 100.00 6.81e-10 GB EDM07732 "rCG53796 [Rattus norvegicus]" 96.43 483 100.00 100.00 6.03e-10 REF NP_001102987 "zinc finger and BTB domain-containing protein 32 [Rattus norvegicus]" 96.43 483 100.00 100.00 6.03e-10 REF NP_001178153 "zinc finger and BTB domain-containing protein 32 [Bos taurus]" 96.43 489 100.00 100.00 6.29e-10 REF NP_067372 "zinc finger and BTB domain-containing protein 32 [Mus musculus]" 96.43 465 100.00 100.00 6.88e-10 REF XP_001492305 "PREDICTED: zinc finger and BTB domain-containing protein 32 isoform X1 [Equus caballus]" 96.43 491 100.00 100.00 6.97e-10 REF XP_004015262 "PREDICTED: zinc finger and BTB domain-containing protein 32 isoform X3 [Ovis aries]" 96.43 557 100.00 100.00 9.32e-10 SP Q9JKD9 "RecName: Full=Zinc finger and BTB domain-containing protein 32; AltName: Full=Repressor of GATA; AltName: Full=Testis zinc fing" 96.43 465 100.00 100.00 6.81e-10 TPG DAA19797 "TPA: zinc finger and BTB domain containing 32-like [Bos taurus]" 96.43 489 100.00 100.00 6.29e-10 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 no _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 'not present' _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 $mTZD_finger1 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $mTZD_finger1 'recombinant technology' . Escherichia coli Tuner(DE3)pLacI pETBlue-1 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 'acetic acid' 50 mM '[U-99% 2H]' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 2.18 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assignments_zf1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'zinc finger protein' _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 3 3 PRO HA H 4.324 . 1 2 3 3 PRO HB2 H 1.354 . 2 3 3 3 PRO HB3 H 2.078 . 2 4 3 3 PRO HD2 H 3.767 . 2 5 3 3 PRO HD3 H 3.767 . 2 6 3 3 PRO HG2 H 1.751 . 2 7 3 3 PRO HG3 H 1.875 . 2 8 3 3 PRO CA C 63.167 . 1 9 3 3 PRO CB C 32.064 . 1 10 3 3 PRO CD C 50.592 . 1 11 3 3 PRO CG C 26.540 . 1 12 4 4 TYR H H 7.993 . 1 13 4 4 TYR HA H 4.671 . 1 14 4 4 TYR HB2 H 2.773 . 2 15 4 4 TYR HB3 H 3.140 . 2 16 4 4 TYR HD1 H 7.039 . 3 17 4 4 TYR HE1 H 6.917 . 3 18 4 4 TYR C C 175.080 . 1 19 4 4 TYR CA C 57.623 . 1 20 4 4 TYR CB C 39.299 . 1 21 4 4 TYR CD1 C 72.216 . 3 22 4 4 TYR N N 118.175 . 1 23 5 5 SER H H 8.773 . 1 24 5 5 SER HA H 5.357 . 1 25 5 5 SER HB2 H 3.534 . 2 26 5 5 SER HB3 H 3.534 . 2 27 5 5 SER C C 173.370 . 1 28 5 5 SER CA C 56.308 . 1 29 5 5 SER CB C 65.329 . 1 30 5 5 SER N N 116.936 . 1 31 6 6 CYS H H 9.163 . 1 32 6 6 CYS HA H 4.653 . 1 33 6 6 CYS HB2 H 2.989 . 2 34 6 6 CYS HB3 H 3.412 . 2 35 6 6 CYS C C 178.030 . 1 36 6 6 CYS CA C 59.503 . 1 37 6 6 CYS CB C 30.278 . 1 38 6 6 CYS N N 126.129 . 1 39 7 7 SER H H 9.321 . 1 40 7 7 SER HA H 4.249 . 1 41 7 7 SER HB2 H 4.023 . 2 42 7 7 SER HB3 H 4.089 . 2 43 7 7 SER C C 174.430 . 1 44 7 7 SER CA C 60.818 . 1 45 7 7 SER CB C 62.791 . 1 46 7 7 SER N N 128.244 . 1 47 8 8 VAL H H 8.977 . 1 48 8 8 VAL HA H 3.873 . 1 49 8 8 VAL HB H 1.166 . 1 50 8 8 VAL HG1 H 0.265 . 2 51 8 8 VAL HG2 H 0.801 . 2 52 8 8 VAL C C 176.970 . 1 53 8 8 VAL CA C 64.765 . 1 54 8 8 VAL CB C 32.628 . 1 55 8 8 VAL CG1 C 19.910 . 1 56 8 8 VAL CG2 C 21.650 . 1 57 8 8 VAL N N 124.462 . 1 58 9 9 CYS H H 8.206 . 1 59 9 9 CYS HA H 5.132 . 1 60 9 9 CYS HB2 H 2.773 . 2 61 9 9 CYS HB3 H 3.459 . 2 62 9 9 CYS C C 176.710 . 1 63 9 9 CYS CA C 58.187 . 1 64 9 9 CYS CB C 32.440 . 1 65 9 9 CYS N N 115.998 . 1 66 10 10 GLY H H 8.156 . 1 67 10 10 GLY HA2 H 3.854 . 2 68 10 10 GLY HA3 H 4.129 . 2 69 10 10 GLY C C 173.890 . 1 70 10 10 GLY CA C 46.065 . 1 71 10 10 GLY N N 113.210 . 1 72 11 11 LYS H H 7.998 . 1 73 11 11 LYS HA H 3.891 . 1 74 11 11 LYS HB2 H 1.166 . 2 75 11 11 LYS HB3 H 1.448 . 2 76 11 11 LYS HD2 H 1.426 . 2 77 11 11 LYS HD3 H 1.658 . 2 78 11 11 LYS HE2 H 2.953 . 2 79 11 11 LYS HE3 H 2.953 . 2 80 11 11 LYS HG2 H 0.962 . 2 81 11 11 LYS HG3 H 0.963 . 2 82 11 11 LYS CA C 58.375 . 1 83 11 11 LYS CB C 33.473 . 1 84 11 11 LYS CD C 29.046 . 1 85 11 11 LYS CE C 41.702 . 1 86 11 11 LYS CG C 25.837 . 1 87 11 11 LYS N N 123.471 . 1 88 12 12 ARG H H 7.867 . 1 89 12 12 ARG HA H 5.085 . 1 90 12 12 ARG HB2 H 1.467 . 2 91 12 12 ARG HB3 H 1.608 . 2 92 12 12 ARG HD2 H 3.136 . 2 93 12 12 ARG HD3 H 3.136 . 2 94 12 12 ARG HG2 H 1.620 . 2 95 12 12 ARG HG3 H 1.620 . 2 96 12 12 ARG C C 175.900 . 1 97 12 12 ARG CA C 54.710 . 1 98 12 12 ARG CB C 33.097 . 1 99 12 12 ARG CD C 43.169 . 1 100 12 12 ARG CG C 27.852 . 1 101 12 12 ARG N N 120.210 . 1 102 13 13 PHE H H 8.795 . 1 103 13 13 PHE HA H 4.728 . 1 104 13 13 PHE HB2 H 2.501 . 2 105 13 13 PHE HB3 H 3.403 . 2 106 13 13 PHE HD1 H 7.051 . 3 107 13 13 PHE HD2 H 7.014 . 3 108 13 13 PHE HE1 H 6.838 . 3 109 13 13 PHE HZ H 6.204 . 1 110 13 13 PHE C C 175.330 . 1 111 13 13 PHE CA C 56.871 . 1 112 13 13 PHE CB C 43.716 . 1 113 13 13 PHE CD1 C 67.112 . 3 114 13 13 PHE CD2 C 67.112 . 3 115 13 13 PHE CE1 C 70.180 . 3 116 13 13 PHE CZ C 68.275 . 1 117 13 13 PHE N N 117.294 . 1 118 14 14 SER H H 9.090 . 1 119 14 14 SER HA H 4.568 . 1 120 14 14 SER HB2 H 4.032 . 2 121 14 14 SER HB3 H 4.032 . 2 122 14 14 SER C C 173.650 . 1 123 14 14 SER CA C 61.160 . 1 124 14 14 SER CB C 63.637 . 1 125 14 14 SER N N 117.442 . 1 126 15 15 LEU H H 7.585 . 1 127 15 15 LEU HA H 4.888 . 1 128 15 15 LEU HB2 H 1.232 . 2 129 15 15 LEU HB3 H 1.392 . 2 130 15 15 LEU HD1 H 0.960 . 2 131 15 15 LEU HD2 H 0.999 . 2 132 15 15 LEU HG H 1.559 . 1 133 15 15 LEU C C 177.560 . 1 134 15 15 LEU CA C 52.831 . 1 135 15 15 LEU CB C 44.562 . 1 136 15 15 LEU CD1 C 26.630 . 1 137 15 15 LEU CD2 C 25.597 . 1 138 15 15 LEU CG C 22.872 . 1 139 15 15 LEU N N 117.641 . 1 140 16 16 LYS H H 8.620 . 1 141 16 16 LYS HA H 2.754 . 1 142 16 16 LYS HB2 H 1.082 . 2 143 16 16 LYS HB3 H 1.514 . 2 144 16 16 LYS HD2 H 1.620 . 2 145 16 16 LYS HD3 H 1.620 . 2 146 16 16 LYS HE2 H 2.934 . 2 147 16 16 LYS HE3 H 2.934 . 2 148 16 16 LYS HG2 H 0.867 . 2 149 16 16 LYS HG3 H 0.867 . 2 150 16 16 LYS C C 178.700 . 1 151 16 16 LYS CA C 60.066 . 1 152 16 16 LYS CB C 31.876 . 1 153 16 16 LYS CD C 29.261 . 1 154 16 16 LYS CE C 41.665 . 1 155 16 16 LYS CG C 24.657 . 1 156 16 16 LYS N N 127.105 . 1 157 17 17 HIS H H 8.492 . 1 158 17 17 HIS HA H 4.361 . 1 159 17 17 HIS HB2 H 2.961 . 2 160 17 17 HIS HB3 H 3.177 . 2 161 17 17 HIS HD2 H 7.077 . 3 162 17 17 HIS HE1 H 7.827 . 3 163 17 17 HIS C C 177.920 . 1 164 17 17 HIS CA C 58.657 . 1 165 17 17 HIS CB C 29.151 . 1 166 17 17 HIS CD2 C 72.269 . 1 167 17 17 HIS CE1 C 19.197 . 1 168 17 17 HIS N N 114.474 . 1 169 18 18 GLN H H 6.434 . 1 170 18 18 GLN HA H 3.873 . 1 171 18 18 GLN HB2 H 1.909 . 2 172 18 18 GLN HB3 H 2.392 . 2 173 18 18 GLN HE21 H 7.063 . 2 174 18 18 GLN HE22 H 7.600 . 2 175 18 18 GLN HG2 H 1.865 . 2 176 18 18 GLN HG3 H 2.389 . 2 177 18 18 GLN C C 178.520 . 1 178 18 18 GLN CA C 57.435 . 1 179 18 18 GLN CB C 28.023 . 1 180 18 18 GLN CG C 33.488 . 1 181 18 18 GLN N N 118.136 . 1 182 18 18 GLN NE2 N 111.364 . 1 183 19 19 MET H H 6.846 . 1 184 19 19 MET HA H 4.024 . 1 185 19 19 MET HB2 H 2.305 . 2 186 19 19 MET HB3 H 2.666 . 2 187 19 19 MET HG2 H 2.190 . 2 188 19 19 MET HG3 H 1.996 . 2 189 19 19 MET C C 177.130 . 1 190 19 19 MET CA C 58.375 . 1 191 19 19 MET CB C 31.406 . 1 192 19 19 MET CG C 26.804 . 1 193 19 19 MET N N 121.060 . 1 194 20 20 GLU H H 8.117 . 1 195 20 20 GLU HA H 3.844 . 1 196 20 20 GLU HB2 H 1.930 . 2 197 20 20 GLU HB3 H 1.986 . 2 198 20 20 GLU HG2 H 2.102 . 2 199 20 20 GLU HG3 H 2.314 . 2 200 20 20 GLU C C 179.530 . 1 201 20 20 GLU CA C 59.409 . 1 202 20 20 GLU CB C 29.339 . 1 203 20 20 GLU CG C 36.591 . 1 204 20 20 GLU N N 118.459 . 1 205 21 21 THR H H 7.912 . 1 206 21 21 THR HA H 4.042 . 1 207 21 21 THR HB H 3.844 . 1 208 21 21 THR HG2 H 1.174 . 1 209 21 21 THR C C 176.610 . 1 210 21 21 THR CA C 68.524 . 1 211 21 21 THR CB C 66.174 . 1 212 21 21 THR CG2 C 21.556 . 1 213 21 21 THR N N 115.538 . 1 214 22 22 HIS H H 7.439 . 1 215 22 22 HIS HA H 4.173 . 1 216 22 22 HIS HB2 H 2.905 . 2 217 22 22 HIS HB3 H 3.036 . 2 218 22 22 HIS HD2 H 7.040 . 3 219 22 22 HIS HE1 H 8.024 . 3 220 22 22 HIS C C 175.740 . 1 221 22 22 HIS CA C 59.033 . 1 222 22 22 HIS CB C 28.023 . 1 223 22 22 HIS CD2 C 67.118 . 1 224 22 22 HIS N N 121.531 . 1 225 23 23 TYR H H 8.394 . 1 226 23 23 TYR HA H 3.920 . 1 227 23 23 TYR HB2 H 3.093 . 2 228 23 23 TYR HB3 H 3.281 . 2 229 23 23 TYR HD1 H 7.399 . 3 230 23 23 TYR HE1 H 6.917 . 3 231 23 23 TYR C C 176.810 . 1 232 23 23 TYR CA C 61.288 . 1 233 23 23 TYR CB C 38.454 . 1 234 23 23 TYR CD1 C 70.058 . 3 235 23 23 TYR CE1 C 58.025 . 3 236 23 23 TYR N N 117.916 . 1 237 24 24 ARG H H 7.086 . 1 238 24 24 ARG HA H 4.061 . 1 239 24 24 ARG HB2 H 1.805 . 2 240 24 24 ARG HB3 H 1.890 . 2 241 24 24 ARG HD2 H 3.208 . 2 242 24 24 ARG HD3 H 3.208 . 2 243 24 24 ARG HG2 H 1.688 . 2 244 24 24 ARG HG3 H 1.896 . 2 245 24 24 ARG C C 178.570 . 1 246 24 24 ARG CA C 58.093 . 1 247 24 24 ARG CB C 29.903 . 1 248 24 24 ARG CD C 43.451 . 1 249 24 24 ARG CG C 27.570 . 1 250 24 24 ARG N N 114.767 . 1 251 25 25 VAL H H 7.978 . 1 252 25 25 VAL HA H 3.844 . 1 253 25 25 VAL HB H 1.881 . 1 254 25 25 VAL HG1 H 0.461 . 2 255 25 25 VAL HG2 H 0.581 . 2 256 25 25 VAL C C 177.500 . 1 257 25 25 VAL CA C 64.107 . 1 258 25 25 VAL CB C 30.842 . 1 259 25 25 VAL CG1 C 19.489 . 1 260 25 25 VAL CG2 C 19.489 . 1 261 25 25 VAL N N 117.257 . 1 262 26 26 HIS H H 7.322 . 1 263 26 26 HIS HA H 4.747 . 1 264 26 26 HIS HB2 H 2.839 . 2 265 26 26 HIS HB3 H 3.187 . 2 266 26 26 HIS HD2 H 6.591 . 3 267 26 26 HIS HE1 H 8.096 . 3 268 26 26 HIS C C 175.850 . 1 269 26 26 HIS CA C 55.180 . 1 270 26 26 HIS CB C 28.023 . 1 271 26 26 HIS CD2 C 67.552 . 1 272 26 26 HIS CE1 C 19.841 . 1 273 26 26 HIS N N 116.771 . 1 274 27 27 THR H H 7.569 . 1 275 27 27 THR HA H 4.230 . 1 276 27 27 THR HB H 4.206 . 1 277 27 27 THR HG2 H 1.151 . 1 278 27 27 THR C C 175.300 . 1 279 27 27 THR CA C 69.369 . 1 280 27 27 THR CB C 62.297 . 1 281 27 27 THR CG2 C 21.462 . 1 282 27 27 THR N N 112.283 . 1 283 28 28 GLY H H 8.243 . 1 284 28 28 GLY HA2 H 3.930 . 2 285 28 28 GLY HA3 H 3.930 . 2 286 28 28 GLY C C 174.120 . 1 287 28 28 GLY CA C 45.125 . 1 288 28 28 GLY N N 110.451 . 1 stop_ save_