data_11485 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT ; _BMRB_accession_number 11485 _BMRB_flat_file_name bmr11485.str _Entry_type original _Submission_date 2012-03-06 _Accession_date 2012-03-06 _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 Naoya . . 2 Umehara Takashi . . 3 Kigawa Takanori . . 4 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 174 "13C chemical shifts" 136 "15N chemical shifts" 29 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-20 original author . stop_ _Original_release_date 2015-01-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT' _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 Naoya . . 2 Umehara Takashi . . 3 Kigawa Takanori . . 4 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation 'Not known' _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 protein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $protein 'ZINC ION' $entity_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_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 35 _Mol_residue_sequence ; GSSGSSGYVCALCLKKFVSS IRLRSHIREVHGAAQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 SER 4 4 GLY 5 5 SER 6 6 SER 7 7 GLY 8 8 TYR 9 9 VAL 10 10 CYS 11 11 ALA 12 12 LEU 13 13 CYS 14 14 LEU 15 15 LYS 16 16 LYS 17 17 PHE 18 18 VAL 19 19 SER 20 20 SER 21 21 ILE 22 22 ARG 23 23 LEU 24 24 ARG 25 25 SER 26 26 HIS 27 27 ILE 28 28 ARG 29 29 GLU 30 30 VAL 31 31 HIS 32 32 GLY 33 33 ALA 34 34 ALA 35 35 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2ELX "Solution Structure Of The 8th C2h2 Zinc Finger Of Mouse Zinc Finger Protein 406" 100.00 35 100.00 100.00 2.04e-14 PDB 2RV5 "Solution Structures Of The Dna-binding Domain (zf8) Of Mouse Immune- Related Zinc-finger Protein Zfat" 100.00 35 100.00 100.00 2.04e-14 GB AAH53930 "Zinc finger and AT hook domain containing [Mus musculus]" 80.00 1219 100.00 100.00 1.36e-08 GB ABY67968 "ZFAT [Mus musculus]" 80.00 1237 100.00 100.00 1.13e-08 GB EDL29394 "zinc finger protein 406, isoform CRA_a [Mus musculus]" 80.00 1289 100.00 100.00 1.22e-08 GB EDL29395 "zinc finger protein 406, isoform CRA_b, partial [Mus musculus]" 80.00 1272 100.00 100.00 1.43e-08 REF NP_001139360 "zinc finger protein ZFAT isoform 1 [Mus musculus]" 80.00 1237 100.00 100.00 1.13e-08 REF NP_941046 "zinc finger protein ZFAT isoform 2 [Mus musculus]" 80.00 1219 100.00 100.00 1.36e-08 REF XP_006521187 "PREDICTED: zinc finger protein ZFAT isoform X1 [Mus musculus]" 80.00 1318 100.00 100.00 1.37e-08 REF XP_006521188 "PREDICTED: zinc finger protein ZFAT isoform X2 [Mus musculus]" 80.00 1314 100.00 100.00 1.44e-08 REF XP_006521189 "PREDICTED: zinc finger protein ZFAT isoform X4 [Mus musculus]" 80.00 1077 100.00 100.00 2.05e-08 SP Q7TS63 "RecName: Full=Zinc finger protein ZFAT; AltName: Full=Zinc finger protein 406" 80.00 1237 100.00 100.00 1.13e-08 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . 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 $protein 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 $protein 'cell free synthesis' 'E. coli' Escherichia coli . P061010-12 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 $protein 1.10 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' 'zinc chloride' 50 uM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'N. Kobayashi' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task '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_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 296 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water 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 water C 13 protons ppm 4.792 internal indirect . . . 0.251449530 water H 1 protons ppm 4.792 internal direct . . . 1 water N 15 protons ppm 4.792 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C 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 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 6 6 SER HA H 4.428 0.030 1 2 6 6 SER HB2 H 3.814 0.030 1 3 6 6 SER HB3 H 3.814 0.030 1 4 6 6 SER C C 174.357 0.300 1 5 6 6 SER CA C 58.413 0.300 1 6 6 6 SER CB C 63.857 0.300 1 7 7 7 GLY H H 8.041 0.030 1 8 7 7 GLY HA2 H 3.852 0.030 2 9 7 7 GLY HA3 H 3.748 0.030 2 10 7 7 GLY C C 172.679 0.300 1 11 7 7 GLY CA C 44.777 0.300 1 12 7 7 GLY N N 109.052 0.300 1 13 8 8 TYR H H 8.530 0.030 1 14 8 8 TYR HA H 4.581 0.030 1 15 8 8 TYR HB2 H 2.859 0.030 2 16 8 8 TYR HB3 H 2.787 0.030 2 17 8 8 TYR HD1 H 6.965 0.030 1 18 8 8 TYR HD2 H 6.965 0.030 1 19 8 8 TYR HE1 H 6.850 0.030 1 20 8 8 TYR HE2 H 6.850 0.030 1 21 8 8 TYR C C 174.562 0.300 1 22 8 8 TYR CA C 57.570 0.300 1 23 8 8 TYR CB C 39.183 0.300 1 24 8 8 TYR CD1 C 132.914 0.300 1 25 8 8 TYR CD2 C 132.914 0.300 1 26 8 8 TYR CE1 C 118.284 0.300 1 27 8 8 TYR CE2 C 118.284 0.300 1 28 8 8 TYR N N 120.426 0.300 1 29 9 9 VAL H H 8.497 0.030 1 30 9 9 VAL HA H 4.651 0.030 1 31 9 9 VAL HB H 1.837 0.030 1 32 9 9 VAL HG1 H 0.800 0.030 1 33 9 9 VAL HG2 H 0.720 0.030 1 34 9 9 VAL C C 175.557 0.300 1 35 9 9 VAL CA C 61.029 0.300 1 36 9 9 VAL CB C 34.639 0.300 1 37 9 9 VAL CG1 C 21.636 0.300 2 38 9 9 VAL CG2 C 20.621 0.300 2 39 9 9 VAL N N 124.415 0.300 1 40 10 10 CYS H H 9.096 0.030 1 41 10 10 CYS HA H 4.443 0.030 1 42 10 10 CYS HB2 H 3.329 0.030 2 43 10 10 CYS HB3 H 2.814 0.030 2 44 10 10 CYS C C 176.374 0.300 1 45 10 10 CYS CA C 59.520 0.300 1 46 10 10 CYS CB C 29.550 0.300 1 47 10 10 CYS N N 129.564 0.300 1 48 11 11 ALA H H 9.020 0.030 1 49 11 11 ALA HA H 4.152 0.030 1 50 11 11 ALA HB H 1.473 0.030 1 51 11 11 ALA C C 177.995 0.300 1 52 11 11 ALA CA C 54.338 0.300 1 53 11 11 ALA CB C 18.983 0.300 1 54 11 11 ALA N N 133.759 0.300 1 55 12 12 LEU H H 8.537 0.030 1 56 12 12 LEU HA H 4.259 0.030 1 57 12 12 LEU HB2 H 0.951 0.030 2 58 12 12 LEU HB3 H 0.835 0.030 2 59 12 12 LEU HD1 H 0.548 0.030 1 60 12 12 LEU HD2 H 0.687 0.030 1 61 12 12 LEU HG H 1.460 0.030 1 62 12 12 LEU C C 178.075 0.300 1 63 12 12 LEU CA C 56.953 0.300 1 64 12 12 LEU CB C 41.639 0.300 1 65 12 12 LEU CD1 C 24.886 0.300 2 66 12 12 LEU CD2 C 22.854 0.300 2 67 12 12 LEU CG C 27.322 0.300 1 68 12 12 LEU N N 117.778 0.300 1 69 13 13 CYS H H 8.097 0.030 1 70 13 13 CYS HA H 5.136 0.030 1 71 13 13 CYS HB2 H 3.433 0.030 2 72 13 13 CYS HB3 H 2.974 0.030 2 73 13 13 CYS C C 175.102 0.300 1 74 13 13 CYS CA C 58.786 0.300 1 75 13 13 CYS CB C 31.789 0.300 1 76 13 13 CYS N N 116.443 0.300 1 77 14 14 LEU H H 8.368 0.030 1 78 14 14 LEU HA H 4.145 0.030 1 79 14 14 LEU HB2 H 2.152 0.030 2 80 14 14 LEU HB3 H 1.645 0.030 2 81 14 14 LEU HD1 H 0.867 0.030 1 82 14 14 LEU HD2 H 0.811 0.030 1 83 14 14 LEU HG H 1.404 0.030 1 84 14 14 LEU C C 176.112 0.300 1 85 14 14 LEU CA C 57.177 0.300 1 86 14 14 LEU CB C 37.890 0.300 1 87 14 14 LEU CD1 C 25.020 0.300 2 88 14 14 LEU CD2 C 22.535 0.300 2 89 14 14 LEU CG C 27.528 0.300 1 90 14 14 LEU N N 119.377 0.300 1 91 15 15 LYS H H 7.766 0.030 1 92 15 15 LYS HA H 4.076 0.030 1 93 15 15 LYS HB2 H 1.500 0.030 2 94 15 15 LYS HB3 H 1.307 0.030 2 95 15 15 LYS HD2 H 1.620 0.030 2 96 15 15 LYS HD3 H 1.543 0.030 2 97 15 15 LYS HE2 H 3.011 0.030 2 98 15 15 LYS HE3 H 2.982 0.030 2 99 15 15 LYS HG2 H 1.586 0.030 2 100 15 15 LYS HG3 H 1.169 0.030 2 101 15 15 LYS C C 174.054 0.300 1 102 15 15 LYS CA C 57.976 0.300 1 103 15 15 LYS CB C 34.218 0.300 1 104 15 15 LYS CD C 29.488 0.300 1 105 15 15 LYS CE C 42.335 0.300 1 106 15 15 LYS CG C 26.719 0.300 1 107 15 15 LYS N N 121.341 0.300 1 108 16 16 LYS H H 7.849 0.030 1 109 16 16 LYS HA H 4.836 0.030 1 110 16 16 LYS HB2 H 1.606 0.030 2 111 16 16 LYS HB3 H 1.509 0.030 2 112 16 16 LYS HD2 H 1.579 0.030 1 113 16 16 LYS HD3 H 1.579 0.030 1 114 16 16 LYS HE2 H 2.886 0.030 1 115 16 16 LYS HE3 H 2.886 0.030 1 116 16 16 LYS HG2 H 1.323 0.030 2 117 16 16 LYS HG3 H 1.221 0.030 2 118 16 16 LYS C C 175.679 0.300 1 119 16 16 LYS CA C 55.029 0.300 1 120 16 16 LYS CB C 35.023 0.300 1 121 16 16 LYS CD C 29.359 0.300 1 122 16 16 LYS CE C 41.953 0.300 1 123 16 16 LYS CG C 25.287 0.300 1 124 16 16 LYS N N 120.206 0.300 1 125 17 17 PHE H H 8.827 0.030 1 126 17 17 PHE HA H 4.806 0.030 1 127 17 17 PHE HB2 H 3.205 0.030 2 128 17 17 PHE HB3 H 2.713 0.030 2 129 17 17 PHE HD1 H 7.226 0.030 1 130 17 17 PHE HD2 H 7.226 0.030 1 131 17 17 PHE HE1 H 6.769 0.030 1 132 17 17 PHE HE2 H 6.769 0.030 1 133 17 17 PHE HZ H 5.936 0.030 1 134 17 17 PHE C C 176.559 0.300 1 135 17 17 PHE CA C 56.962 0.300 1 136 17 17 PHE CB C 43.643 0.300 1 137 17 17 PHE CD1 C 132.193 0.300 1 138 17 17 PHE CD2 C 132.193 0.300 1 139 17 17 PHE CE1 C 130.675 0.300 1 140 17 17 PHE CE2 C 130.675 0.300 1 141 17 17 PHE CZ C 128.337 0.300 1 142 17 17 PHE N N 120.190 0.300 1 143 18 18 VAL H H 8.853 0.030 1 144 18 18 VAL HA H 4.349 0.030 1 145 18 18 VAL HB H 2.406 0.030 1 146 18 18 VAL HG1 H 1.080 0.030 1 147 18 18 VAL HG2 H 1.087 0.030 1 148 18 18 VAL C C 175.530 0.300 1 149 18 18 VAL CA C 63.164 0.300 1 150 18 18 VAL CB C 32.666 0.300 1 151 18 18 VAL CG1 C 21.014 0.300 2 152 18 18 VAL CG2 C 20.005 0.300 2 153 18 18 VAL N N 115.323 0.300 1 154 19 19 SER H H 7.349 0.030 1 155 19 19 SER HA H 4.671 0.030 1 156 19 19 SER HB2 H 4.111 0.030 2 157 19 19 SER HB3 H 3.818 0.030 2 158 19 19 SER C C 173.518 0.300 1 159 19 19 SER CA C 55.565 0.300 1 160 19 19 SER CB C 66.702 0.300 1 161 19 19 SER N N 111.569 0.300 1 162 20 20 SER HA H 3.454 0.030 1 163 20 20 SER HB2 H 3.674 0.030 2 164 20 20 SER HB3 H 3.499 0.030 2 165 20 20 SER C C 177.136 0.300 1 166 20 20 SER CA C 60.614 0.300 1 167 20 20 SER CB C 62.016 0.300 1 168 21 21 ILE H H 7.691 0.030 1 169 21 21 ILE HA H 3.802 0.030 1 170 21 21 ILE HB H 1.715 0.030 1 171 21 21 ILE HD1 H 0.867 0.030 1 172 21 21 ILE HG12 H 1.517 0.030 2 173 21 21 ILE HG13 H 1.183 0.030 2 174 21 21 ILE HG2 H 0.890 0.030 1 175 21 21 ILE C C 178.295 0.300 1 176 21 21 ILE CA C 64.285 0.300 1 177 21 21 ILE CB C 38.076 0.300 1 178 21 21 ILE CD1 C 13.206 0.300 1 179 21 21 ILE CG1 C 28.952 0.300 1 180 21 21 ILE CG2 C 17.366 0.300 1 181 21 21 ILE N N 121.679 0.300 1 182 22 22 ARG H H 7.475 0.030 1 183 22 22 ARG HA H 4.096 0.030 1 184 22 22 ARG HB2 H 2.024 0.030 2 185 22 22 ARG HB3 H 1.960 0.030 2 186 22 22 ARG HD2 H 3.367 0.030 2 187 22 22 ARG HD3 H 3.315 0.030 2 188 22 22 ARG HG2 H 1.778 0.030 1 189 22 22 ARG HG3 H 1.778 0.030 1 190 22 22 ARG C C 179.029 0.300 1 191 22 22 ARG CA C 58.193 0.300 1 192 22 22 ARG CB C 29.766 0.300 1 193 22 22 ARG CD C 42.875 0.300 1 194 22 22 ARG CG C 27.929 0.300 1 195 22 22 ARG N N 120.949 0.300 1 196 23 23 LEU H H 7.519 0.030 1 197 23 23 LEU HA H 3.232 0.030 1 198 23 23 LEU HB2 H 1.925 0.030 2 199 23 23 LEU HB3 H 1.287 0.030 2 200 23 23 LEU HD1 H 0.931 0.030 1 201 23 23 LEU HD2 H 1.019 0.030 1 202 23 23 LEU HG H 1.536 0.030 1 203 23 23 LEU C C 177.236 0.300 1 204 23 23 LEU CA C 58.055 0.300 1 205 23 23 LEU CB C 40.726 0.300 1 206 23 23 LEU CD1 C 22.846 0.300 2 207 23 23 LEU CD2 C 26.590 0.300 2 208 23 23 LEU CG C 27.437 0.300 1 209 23 23 LEU N N 121.453 0.300 1 210 24 24 ARG H H 8.300 0.030 1 211 24 24 ARG HA H 3.867 0.030 1 212 24 24 ARG HB2 H 1.899 0.030 1 213 24 24 ARG HB3 H 1.899 0.030 1 214 24 24 ARG HD2 H 3.177 0.030 1 215 24 24 ARG HD3 H 3.177 0.030 1 216 24 24 ARG HG2 H 1.788 0.030 2 217 24 24 ARG HG3 H 1.604 0.030 2 218 24 24 ARG C C 179.424 0.300 1 219 24 24 ARG CA C 60.004 0.300 1 220 24 24 ARG CB C 29.758 0.300 1 221 24 24 ARG CD C 43.483 0.300 1 222 24 24 ARG CG C 27.597 0.300 1 223 24 24 ARG N N 118.667 0.300 1 224 25 25 SER H H 8.046 0.030 1 225 25 25 SER HA H 4.149 0.030 1 226 25 25 SER HB2 H 3.892 0.030 1 227 25 25 SER HB3 H 3.892 0.030 1 228 25 25 SER C C 175.600 0.300 1 229 25 25 SER CA C 61.831 0.300 1 230 25 25 SER CB C 62.626 0.300 1 231 25 25 SER N N 114.805 0.300 1 232 26 26 HIS H H 7.664 0.030 1 233 26 26 HIS HA H 4.277 0.030 1 234 26 26 HIS HB2 H 3.164 0.030 2 235 26 26 HIS HB3 H 2.692 0.030 2 236 26 26 HIS HD2 H 6.988 0.030 1 237 26 26 HIS HE1 H 8.038 0.030 1 238 26 26 HIS C C 176.490 0.300 1 239 26 26 HIS CA C 59.489 0.300 1 240 26 26 HIS CB C 27.714 0.300 1 241 26 26 HIS CD2 C 127.917 0.300 1 242 26 26 HIS CE1 C 138.882 0.300 1 243 26 26 HIS N N 121.219 0.300 1 244 27 27 ILE H H 8.521 0.030 1 245 27 27 ILE HA H 3.427 0.030 1 246 27 27 ILE HB H 1.876 0.030 1 247 27 27 ILE HD1 H 1.019 0.030 1 248 27 27 ILE HG12 H 2.108 0.030 2 249 27 27 ILE HG13 H 1.395 0.030 2 250 27 27 ILE HG2 H 0.967 0.030 1 251 27 27 ILE C C 178.311 0.300 1 252 27 27 ILE CA C 66.691 0.300 1 253 27 27 ILE CB C 38.279 0.300 1 254 27 27 ILE CD1 C 14.115 0.300 1 255 27 27 ILE CG1 C 30.472 0.300 1 256 27 27 ILE CG2 C 17.774 0.300 1 257 27 27 ILE N N 119.493 0.300 1 258 28 28 ARG H H 7.526 0.030 1 259 28 28 ARG HA H 3.994 0.030 1 260 28 28 ARG HB2 H 1.886 0.030 1 261 28 28 ARG HB3 H 1.886 0.030 1 262 28 28 ARG HD2 H 3.188 0.030 1 263 28 28 ARG HD3 H 3.188 0.030 1 264 28 28 ARG HG2 H 1.694 0.030 2 265 28 28 ARG HG3 H 1.566 0.030 2 266 28 28 ARG C C 177.982 0.300 1 267 28 28 ARG CA C 59.182 0.300 1 268 28 28 ARG CB C 30.377 0.300 1 269 28 28 ARG CD C 43.371 0.300 1 270 28 28 ARG CG C 27.311 0.300 1 271 28 28 ARG N N 117.981 0.300 1 272 29 29 GLU H H 8.198 0.030 1 273 29 29 GLU HA H 3.988 0.030 1 274 29 29 GLU HB2 H 2.039 0.030 2 275 29 29 GLU HB3 H 1.966 0.030 2 276 29 29 GLU HG2 H 2.377 0.030 2 277 29 29 GLU HG3 H 2.198 0.030 2 278 29 29 GLU C C 178.192 0.300 1 279 29 29 GLU CA C 58.794 0.300 1 280 29 29 GLU CB C 30.578 0.300 1 281 29 29 GLU CG C 36.250 0.300 1 282 29 29 GLU N N 116.867 0.300 1 283 30 30 VAL H H 8.338 0.030 1 284 30 30 VAL HA H 3.818 0.030 1 285 30 30 VAL HB H 0.859 0.030 1 286 30 30 VAL HG1 H 0.756 0.030 1 287 30 30 VAL HG2 H 0.339 0.030 1 288 30 30 VAL C C 176.447 0.300 1 289 30 30 VAL CA C 64.080 0.300 1 290 30 30 VAL CB C 32.405 0.300 1 291 30 30 VAL CG1 C 22.770 0.300 2 292 30 30 VAL CG2 C 20.768 0.300 2 293 30 30 VAL N N 116.037 0.300 1 294 31 31 HIS H H 7.120 0.030 1 295 31 31 HIS HA H 4.996 0.030 1 296 31 31 HIS HB2 H 3.281 0.030 1 297 31 31 HIS HB3 H 3.281 0.030 1 298 31 31 HIS HD2 H 6.598 0.030 1 299 31 31 HIS HE1 H 8.040 0.030 1 300 31 31 HIS C C 175.768 0.300 1 301 31 31 HIS CA C 54.482 0.300 1 302 31 31 HIS CB C 29.012 0.300 1 303 31 31 HIS CD2 C 128.107 0.300 1 304 31 31 HIS CE1 C 139.947 0.300 1 305 31 31 HIS N N 115.398 0.300 1 306 32 32 GLY H H 7.720 0.030 1 307 32 32 GLY HA2 H 3.977 0.030 1 308 32 32 GLY HA3 H 3.977 0.030 1 309 32 32 GLY C C 173.823 0.300 1 310 32 32 GLY CA C 46.198 0.300 1 311 32 32 GLY N N 108.852 0.300 1 312 33 33 ALA H H 7.856 0.030 1 313 33 33 ALA HA H 4.366 0.030 1 314 33 33 ALA HB H 1.341 0.030 1 315 33 33 ALA C C 176.939 0.300 1 316 33 33 ALA CA C 52.087 0.300 1 317 33 33 ALA CB C 19.789 0.300 1 318 33 33 ALA N N 122.830 0.300 1 319 34 34 ALA H H 8.230 0.030 1 320 34 34 ALA HA H 4.290 0.030 1 321 34 34 ALA HB H 1.386 0.030 1 322 34 34 ALA C C 176.808 0.300 1 323 34 34 ALA CA C 52.488 0.300 1 324 34 34 ALA CB C 19.267 0.300 1 325 34 34 ALA N N 123.526 0.300 1 326 35 35 GLN H H 7.856 0.030 1 327 35 35 GLN HA H 4.128 0.030 1 328 35 35 GLN HB2 H 2.104 0.030 2 329 35 35 GLN HB3 H 1.901 0.030 2 330 35 35 GLN HE21 H 7.522 0.030 2 331 35 35 GLN HE22 H 6.794 0.030 2 332 35 35 GLN HG2 H 2.276 0.030 1 333 35 35 GLN HG3 H 2.276 0.030 1 334 35 35 GLN C C 180.437 0.300 1 335 35 35 GLN CA C 57.248 0.300 1 336 35 35 GLN CB C 30.581 0.300 1 337 35 35 GLN CG C 34.220 0.300 1 338 35 35 GLN N N 123.952 0.300 1 339 35 35 GLN NE2 N 112.301 0.300 1 stop_ save_