data_16797 ####################### # 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 16797 _BMRB_flat_file_name bmr16797.str _Entry_type original _Submission_date 2010-03-29 _Accession_date 2010-03-29 _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" 159 "13C chemical shifts" 106 "15N chemical shifts" 26 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-27 original author . 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 finger2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mTZD finger2' $mTZD_finger2 '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_finger2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mTZD_finger2 _Molecular_mass 3120.5 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; EKPFSCSLCPQRSRDFSAMT KHLRTHG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 29 GLU 2 30 LYS 3 31 PRO 4 32 PHE 5 33 SER 6 34 CYS 7 35 SER 8 36 LEU 9 37 CYS 10 38 PRO 11 39 GLN 12 40 ARG 13 41 SER 14 42 ARG 15 43 ASP 16 44 PHE 17 45 SER 18 46 ALA 19 47 MET 20 48 THR 21 49 LYS 22 50 HIS 23 51 LEU 24 52 ARG 25 53 THR 26 54 HIS 27 55 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 2KVH "Structure Of The Three-Cys2his2 Domain Of Mouse Testis Zinc Finger Protein" 100.00 27 100.00 100.00 3.74e-10 DBJ BAB30015 "unnamed protein product [Mus musculus]" 100.00 101 100.00 100.00 7.08e-10 DBJ BAG73879 "zinc finger and BTB domain containing protein 32 [synthetic construct]" 100.00 487 100.00 100.00 3.73e-09 GB AAD27708 "testis zinc finger protein [Homo sapiens]" 100.00 487 100.00 100.00 3.73e-09 GB AAD48448 "FANCC-interacting protein [Homo sapiens]" 100.00 487 100.00 100.00 3.73e-09 GB AAF61244 "repressor of GATA [Mus musculus]" 100.00 465 100.00 100.00 4.76e-09 GB AAI37688 "Zinc finger and BTB domain containing 32 [Mus musculus]" 100.00 465 100.00 100.00 4.76e-09 GB AAK13198 "zinc finger protein TZFP [Mus musculus]" 100.00 465 100.00 100.00 4.76e-09 REF NP_001102987 "zinc finger and BTB domain-containing protein 32 [Rattus norvegicus]" 100.00 483 100.00 100.00 3.49e-09 REF NP_001129098 "zinc finger and BTB domain-containing protein 32 [Pan troglodytes]" 100.00 487 100.00 100.00 3.92e-09 REF NP_001178153 "zinc finger and BTB domain-containing protein 32 [Bos taurus]" 100.00 489 100.00 100.00 4.17e-09 REF NP_001303831 "zinc finger and BTB domain-containing protein 32 isoform 2 [Homo sapiens]" 100.00 210 100.00 100.00 1.39e-09 REF NP_001303832 "zinc finger and BTB domain-containing protein 32 isoform 3 [Homo sapiens]" 100.00 155 100.00 100.00 2.21e-09 SP A1YGK1 "RecName: Full=Zinc finger and BTB domain-containing protein 32" 100.00 487 100.00 100.00 3.99e-09 SP A2T7E6 "RecName: Full=Zinc finger and BTB domain-containing protein 32" 100.00 487 100.00 100.00 3.80e-09 SP Q9JKD9 "RecName: Full=Zinc finger and BTB domain-containing protein 32; AltName: Full=Repressor of GATA; AltName: Full=Testis zinc fing" 100.00 465 100.00 100.00 4.76e-09 SP Q9Y2Y4 "RecName: Full=Zinc finger and BTB domain-containing protein 32; AltName: Full=FANCC-interacting protein; AltName: Full=Fanconi " 100.00 487 100.00 100.00 3.73e-09 TPG DAA19797 "TPA: zinc finger and BTB domain containing 32-like [Bos taurus]" 100.00 489 100.00 100.00 4.17e-09 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 $mTZD_finger2 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_finger2 '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 $mTZD_finger2 . mM . 'acetic acid' 50 mM '[U-99% 2H]' 'sodium chloride' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_zf2 _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 'mTZD finger2' _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 29 1 GLU H H 7.975 . 1 2 29 1 GLU HA H 4.175 . 1 3 29 1 GLU HB2 H 1.967 . 2 4 29 1 GLU HB3 H 1.967 . 2 5 29 1 GLU HG2 H 2.210 . 2 6 29 1 GLU HG3 H 2.269 . 2 7 29 1 GLU C C 176.410 . 1 8 29 1 GLU CA C 56.777 . 1 9 29 1 GLU CB C 30.278 . 1 10 29 1 GLU CG C 36.215 . 1 11 29 1 GLU N N 120.041 . 1 12 30 2 LYS H H 8.285 . 1 13 30 2 LYS HA H 4.567 . 1 14 30 2 LYS HB2 H 1.555 . 2 15 30 2 LYS HB3 H 1.613 . 2 16 30 2 LYS HD2 H 1.408 . 2 17 30 2 LYS HD3 H 1.408 . 2 18 30 2 LYS HE2 H 2.957 . 2 19 30 2 LYS HE3 H 3.021 . 2 20 30 2 LYS HG2 H 1.222 . 2 21 30 2 LYS HG3 H 1.222 . 2 22 30 2 LYS C C 174.080 . 1 23 30 2 LYS CA C 53.833 . 1 24 30 2 LYS CB C 32.909 . 1 25 30 2 LYS CD C 26.971 . 1 26 30 2 LYS CE C 42.141 . 1 27 30 2 LYS CG C 24.643 . 1 28 30 2 LYS N N 121.515 . 1 29 31 3 PRO HA H 4.275 . 1 30 31 3 PRO HB2 H 1.433 . 2 31 31 3 PRO HB3 H 2.001 . 2 32 31 3 PRO HD2 H 3.638 . 2 33 31 3 PRO HD3 H 3.764 . 2 34 31 3 PRO HG2 H 2.012 . 2 35 31 3 PRO HG3 H 2.176 . 2 36 31 3 PRO CA C 63.277 . 1 37 31 3 PRO CB C 32.161 . 1 38 31 3 PRO CD C 50.382 . 1 39 31 3 PRO CG C 26.841 . 1 40 32 4 PHE H H 8.100 . 1 41 32 4 PHE HA H 4.662 . 1 42 32 4 PHE HB2 H 2.876 . 2 43 32 4 PHE HB3 H 3.065 . 2 44 32 4 PHE HD1 H 7.234 . 3 45 32 4 PHE HE1 H 7.340 . 3 46 32 4 PHE C C 175.330 . 1 47 32 4 PHE CA C 57.529 . 1 48 32 4 PHE CB C 39.205 . 1 49 32 4 PHE N N 118.118 . 1 50 33 5 SER H H 8.657 . 1 51 33 5 SER HA H 4.822 . 1 52 33 5 SER HB2 H 3.807 . 2 53 33 5 SER HB3 H 3.807 . 2 54 33 5 SER C C 172.660 . 1 55 33 5 SER CA C 57.341 . 1 56 33 5 SER CB C 64.671 . 1 57 33 5 SER N N 117.842 . 1 58 34 6 CYS H H 8.573 . 1 59 34 6 CYS HA H 4.436 . 1 60 34 6 CYS HB2 H 2.764 . 2 61 34 6 CYS HB3 H 3.553 . 2 62 34 6 CYS C C 175.470 . 1 63 34 6 CYS CA C 60.066 . 1 64 34 6 CYS CB C 29.527 . 1 65 34 6 CYS N N 127.493 . 1 66 35 7 SER H H 8.073 . 1 67 35 7 SER HA H 4.483 . 1 68 35 7 SER HB2 H 3.929 . 2 69 35 7 SER HB3 H 3.985 . 2 70 35 7 SER CA C 59.597 . 1 71 35 7 SER CB C 63.355 . 1 72 35 7 SER N N 121.066 . 1 73 36 8 LEU H H 9.723 . 1 74 36 8 LEU HA H 4.419 . 1 75 36 8 LEU HB2 H 1.371 . 2 76 36 8 LEU HB3 H 1.371 . 2 77 36 8 LEU HD1 H 0.687 . 2 78 36 8 LEU HD2 H 0.687 . 2 79 36 8 LEU HG H 0.915 . 1 80 36 8 LEU C C 175.510 . 1 81 36 8 LEU CA C 55.280 . 1 82 36 8 LEU CB C 43.357 . 1 83 36 8 LEU CD1 C 26.451 . 1 84 36 8 LEU CD2 C 22.594 . 1 85 36 8 LEU CG C 25.066 . 1 86 36 8 LEU N N 125.683 . 1 87 37 9 CYS H H 8.178 . 1 88 37 9 CYS HA H 5.035 . 1 89 37 9 CYS HB2 H 3.010 . 2 90 37 9 CYS HB3 H 3.411 . 2 91 37 9 CYS CA C 58.140 . 1 92 37 9 CYS CB C 29.460 . 1 93 37 9 CYS N N 123.538 . 1 94 38 10 PRO HA H 4.606 . 1 95 38 10 PRO HB2 H 1.956 . 2 96 38 10 PRO HB3 H 2.332 . 2 97 38 10 PRO HD2 H 3.571 . 2 98 38 10 PRO HD3 H 3.803 . 2 99 38 10 PRO HG2 H 2.009 . 2 100 38 10 PRO HG3 H 2.006 . 2 101 38 10 PRO C C 176.850 . 1 102 38 10 PRO CA C 63.825 . 1 103 38 10 PRO CB C 31.782 . 1 104 38 10 PRO CD C 50.592 . 1 105 38 10 PRO CG C 27.100 . 1 106 39 11 GLN H H 8.572 . 1 107 39 11 GLN HA H 3.872 . 1 108 39 11 GLN HB2 H 1.630 . 2 109 39 11 GLN HB3 H 1.637 . 2 110 39 11 GLN HE21 H 6.766 . 2 111 39 11 GLN HE22 H 7.332 . 2 112 39 11 GLN HG2 H 1.851 . 2 113 39 11 GLN HG3 H 1.851 . 2 114 39 11 GLN C C 175.170 . 1 115 39 11 GLN CA C 57.999 . 1 116 39 11 GLN CB C 28.963 . 1 117 39 11 GLN CG C 32.550 . 1 118 39 11 GLN N N 123.033 . 1 119 39 11 GLN NE2 N 112.086 . 1 120 40 12 ARG H H 8.300 . 1 121 40 12 ARG HA H 5.075 . 1 122 40 12 ARG HB2 H 1.589 . 2 123 40 12 ARG HB3 H 1.843 . 2 124 40 12 ARG HD2 H 3.082 . 2 125 40 12 ARG HD3 H 3.131 . 2 126 40 12 ARG HG2 H 1.379 . 2 127 40 12 ARG HG3 H 1.476 . 2 128 40 12 ARG C C 176.110 . 1 129 40 12 ARG CA C 54.428 . 1 130 40 12 ARG CB C 33.567 . 1 131 40 12 ARG CD C 43.357 . 1 132 40 12 ARG CG C 27.382 . 1 133 40 12 ARG N N 124.318 . 1 134 41 13 SER H H 8.621 . 1 135 41 13 SER HA H 4.795 . 1 136 41 13 SER HB2 H 3.748 . 2 137 41 13 SER HB3 H 3.748 . 2 138 41 13 SER C C 173.720 . 1 139 41 13 SER CA C 58.282 . 1 140 41 13 SER CB C 66.120 . 1 141 41 13 SER N N 115.060 . 1 142 42 14 ARG H H 9.007 . 1 143 42 14 ARG HA H 4.380 . 1 144 42 14 ARG HB2 H 1.852 . 2 145 42 14 ARG HB3 H 1.890 . 2 146 42 14 ARG HD2 H 2.964 . 2 147 42 14 ARG HD3 H 3.192 . 2 148 42 14 ARG HG2 H 1.679 . 2 149 42 14 ARG HG3 H 1.713 . 2 150 42 14 ARG C C 174.870 . 1 151 42 14 ARG CA C 57.717 . 1 152 42 14 ARG CB C 30.936 . 1 153 42 14 ARG CD C 43.169 . 1 154 42 14 ARG CG C 27.476 . 1 155 42 14 ARG N N 121.352 . 1 156 43 15 ASP H H 7.580 . 1 157 43 15 ASP HA H 4.681 . 1 158 43 15 ASP HB2 H 2.805 . 2 159 43 15 ASP HB3 H 2.805 . 2 160 43 15 ASP C C 175.110 . 1 161 43 15 ASP CA C 52.173 . 1 162 43 15 ASP CB C 42.776 . 1 163 43 15 ASP N N 114.167 . 1 164 44 16 PHE H H 8.781 . 1 165 44 16 PHE HA H 4.653 . 1 166 44 16 PHE HB2 H 2.827 . 2 167 44 16 PHE HB3 H 3.381 . 2 168 44 16 PHE HD1 H 7.242 . 3 169 44 16 PHE HE1 H 7.336 . 3 170 44 16 PHE C C 177.730 . 1 171 44 16 PHE CA C 61.194 . 1 172 44 16 PHE CB C 39.017 . 1 173 44 16 PHE N N 123.542 . 1 174 45 17 SER H H 8.489 . 1 175 45 17 SER HA H 4.060 . 1 176 45 17 SER HB2 H 3.884 . 2 177 45 17 SER HB3 H 3.929 . 2 178 45 17 SER C C 177.060 . 1 179 45 17 SER CA C 58.375 . 1 180 45 17 SER CB C 62.134 . 1 181 45 17 SER N N 116.789 . 1 182 46 18 ALA H H 8.334 . 1 183 46 18 ALA HA H 4.117 . 1 184 46 18 ALA HB H 1.542 . 1 185 46 18 ALA C C 180.890 . 1 186 46 18 ALA CA C 54.616 . 1 187 46 18 ALA CB C 18.438 . 1 188 46 18 ALA N N 124.818 . 1 189 47 19 MET H H 7.998 . 1 190 47 19 MET HA H 4.402 . 1 191 47 19 MET HB2 H 1.892 . 2 192 47 19 MET HB3 H 2.031 . 2 193 47 19 MET HE H 1.705 . 1 194 47 19 MET HG2 H 2.962 . 2 195 47 19 MET HG3 H 3.189 . 2 196 47 19 MET C C 177.770 . 1 197 47 19 MET CA C 57.341 . 1 198 47 19 MET CB C 30.466 . 1 199 47 19 MET CE C 27.286 . 1 200 47 19 MET CG C 43.060 . 1 201 47 19 MET N N 120.704 . 1 202 48 20 THR H H 8.252 . 1 203 48 20 THR HA H 4.079 . 1 204 48 20 THR HB H 3.647 . 1 205 48 20 THR HG2 H 0.989 . 1 206 48 20 THR C C 176.640 . 1 207 48 20 THR CA C 66.738 . 1 208 48 20 THR CB C 68.366 . 1 209 48 20 THR CG2 C 21.274 . 1 210 48 20 THR N N 116.925 . 1 211 49 21 LYS H H 7.600 . 1 212 49 21 LYS HA H 3.883 . 1 213 49 21 LYS HB2 H 1.821 . 2 214 49 21 LYS HB3 H 1.821 . 2 215 49 21 LYS HD2 H 1.621 . 2 216 49 21 LYS HD3 H 1.621 . 2 217 49 21 LYS HE2 H 2.901 . 2 218 49 21 LYS HE3 H 2.901 . 2 219 49 21 LYS HG2 H 1.346 . 2 220 49 21 LYS HG3 H 1.508 . 2 221 49 21 LYS C C 179.110 . 1 222 49 21 LYS CA C 59.597 . 1 223 49 21 LYS CB C 32.346 . 1 224 49 21 LYS CD C 29.261 . 1 225 49 21 LYS CE C 41.853 . 1 226 49 21 LYS CG C 25.033 . 1 227 49 21 LYS N N 121.037 . 1 228 50 22 HIS H H 8.152 . 1 229 50 22 HIS HA H 4.239 . 1 230 50 22 HIS HB2 H 3.140 . 2 231 50 22 HIS HB3 H 3.506 . 2 232 50 22 HIS HD2 H 7.179 . 3 233 50 22 HIS HE1 H 7.682 . 3 234 50 22 HIS C C 178.490 . 1 235 50 22 HIS CA C 59.409 . 1 236 50 22 HIS CB C 27.365 . 1 237 50 22 HIS N N 118.899 . 1 238 51 23 LEU H H 8.890 . 1 239 51 23 LEU HA H 3.869 . 1 240 51 23 LEU HB2 H 1.626 . 2 241 51 23 LEU HB3 H 1.881 . 2 242 51 23 LEU HD1 H 1.164 . 2 243 51 23 LEU HD2 H 0.959 . 2 244 51 23 LEU HG H 1.649 . 1 245 51 23 LEU C C 179.620 . 1 246 51 23 LEU CA C 58.438 . 1 247 51 23 LEU CB C 41.240 . 1 248 51 23 LEU CD1 C 24.728 . 1 249 51 23 LEU CD2 C 24.728 . 1 250 51 23 LEU CG C 27.060 . 1 251 51 23 LEU N N 122.346 . 1 252 52 24 ARG H H 7.289 . 1 253 52 24 ARG HA H 4.117 . 1 254 52 24 ARG HB2 H 1.881 . 2 255 52 24 ARG HB3 H 1.918 . 2 256 52 24 ARG HD2 H 3.187 . 2 257 52 24 ARG HD3 H 3.187 . 2 258 52 24 ARG HG2 H 1.685 . 2 259 52 24 ARG HG3 H 1.685 . 2 260 52 24 ARG C C 178.720 . 1 261 52 24 ARG CA C 58.281 . 1 262 52 24 ARG CB C 29.809 . 1 263 52 24 ARG CD C 43.154 . 1 264 52 24 ARG CG C 27.046 . 1 265 52 24 ARG N N 116.585 . 1 266 53 25 THR H H 7.731 . 1 267 53 25 THR HA H 4.098 . 1 268 53 25 THR HB H 4.023 . 1 269 53 25 THR HG2 H 1.211 . 1 270 53 25 THR C C 175.600 . 1 271 53 25 THR CA C 63.919 . 1 272 53 25 THR CB C 68.993 . 1 273 53 25 THR CG2 C 20.898 . 1 274 53 25 THR N N 110.656 . 1 275 54 26 HIS H H 7.139 . 1 276 54 26 HIS HA H 4.606 . 1 277 54 26 HIS HB2 H 3.036 . 2 278 54 26 HIS HB3 H 3.149 . 2 279 54 26 HIS HD2 H 6.514 . 3 280 54 26 HIS HE1 H 7.888 . 3 281 54 26 HIS C C 175.400 . 1 282 54 26 HIS CA C 55.932 . 1 283 54 26 HIS CB C 29.057 . 1 284 54 26 HIS CD2 C 67.112 . 1 285 54 26 HIS N N 118.393 . 1 286 55 27 GLY H H 7.767 . 1 287 55 27 GLY HA2 H 3.910 . 2 288 55 27 GLY HA3 H 3.985 . 2 289 55 27 GLY C C 173.320 . 1 290 55 27 GLY CA C 44.937 . 1 291 55 27 GLY N N 107.746 . 1 stop_ save_