data_11479 ####################### # 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 11479 _BMRB_flat_file_name bmr11479.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" 188 "13C chemical shifts" 143 "15N chemical shifts" 30 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 38 _Mol_residue_sequence ; GSSGSSGILLKCPTDGCDYS TPDKYKLQAHLKVHTALD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ILE 9 LEU 10 LEU 11 LYS 12 CYS 13 PRO 14 THR 15 ASP 16 GLY 17 CYS 18 ASP 19 TYR 20 SER 21 THR 22 PRO 23 ASP 24 LYS 25 TYR 26 LYS 27 LEU 28 GLN 29 ALA 30 HIS 31 LEU 32 LYS 33 VAL 34 HIS 35 THR 36 ALA 37 LEU 38 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 2ELN "Solution Structure Of The 11th C2h2 Zinc Finger Of Human Zinc Finger Protein 406" 100.00 38 100.00 100.00 1.46e-17 PDB 2RUZ "Solution Structures Of The Dna-binding Domain (zf11) Of Immune-related Zinc-finger Protein Zfat" 100.00 38 100.00 100.00 1.46e-17 DBJ BAA96009 "KIAA1485 protein [Homo sapiens]" 86.84 1104 96.97 96.97 2.78e-12 DBJ BAD12567 "ZFAT-1 [Homo sapiens]" 86.84 1243 96.97 96.97 2.58e-12 DBJ BAD12568 "ZFAT-2 [Homo sapiens]" 86.84 1231 96.97 96.97 2.80e-12 DBJ BAD12569 "ZFAT-3 [Homo sapiens]" 86.84 1231 96.97 96.97 2.80e-12 DBJ BAG72872 "zinc finger and AT hook domain containing protein [synthetic construct]" 86.84 1243 96.97 96.97 2.53e-12 GB AAH12989 "ZFAT protein, partial [Homo sapiens]" 86.84 1190 96.97 96.97 3.14e-12 GB AAH25423 "ZFAT protein, partial [Homo sapiens]" 86.84 1169 96.97 96.97 2.68e-12 GB AAH98405 "ZFAT protein, partial [Homo sapiens]" 86.84 1204 96.97 96.97 3.82e-12 GB AAI01767 "Zinc finger and AT hook domain containing [Homo sapiens]" 86.84 1243 96.97 96.97 2.58e-12 GB AAI01769 "Zinc finger and AT hook domain containing [Homo sapiens]" 86.84 1243 96.97 96.97 2.58e-12 REF NP_001025110 "zinc finger protein ZFAT isoform 2 [Homo sapiens]" 86.84 1231 96.97 96.97 2.80e-12 REF NP_001161055 "zinc finger protein ZFAT isoform 2 [Homo sapiens]" 86.84 1231 96.97 96.97 2.80e-12 REF NP_001167628 "zinc finger protein ZFAT isoform 3 [Homo sapiens]" 86.84 1181 96.97 96.97 2.84e-12 REF NP_001167629 "zinc finger protein ZFAT isoform 4 [Homo sapiens]" 86.84 1145 96.97 96.97 2.98e-12 REF NP_001276323 "zinc finger protein ZFAT isoform 2 [Homo sapiens]" 86.84 1231 96.97 96.97 2.80e-12 SP Q9P243 "RecName: Full=Zinc finger protein ZFAT; AltName: Full=Zinc finger gene in AITD susceptibility region; AltName: Full=Zinc finger" 86.84 1243 96.97 96.97 2.58e-12 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 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_name $protein 'cell free synthesis' 'E. coli' Escherichia coli . P060718-05 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 1.16 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 7 7 GLY HA2 H 3.963 0.030 1 2 7 7 GLY HA3 H 3.963 0.030 1 3 7 7 GLY C C 173.654 0.300 1 4 7 7 GLY CA C 45.214 0.300 1 5 8 8 ILE H H 7.917 0.030 1 6 8 8 ILE HA H 4.100 0.030 1 7 8 8 ILE HB H 1.810 0.030 1 8 8 8 ILE HD1 H 0.855 0.030 1 9 8 8 ILE HG12 H 1.441 0.030 2 10 8 8 ILE HG13 H 1.151 0.030 2 11 8 8 ILE HG2 H 0.861 0.030 1 12 8 8 ILE C C 175.522 0.300 1 13 8 8 ILE CA C 61.009 0.300 1 14 8 8 ILE CB C 38.845 0.300 1 15 8 8 ILE CD1 C 12.914 0.300 1 16 8 8 ILE CG1 C 27.277 0.300 1 17 8 8 ILE CG2 C 17.428 0.300 1 18 8 8 ILE N N 120.086 0.300 1 19 9 9 LEU H H 8.167 0.030 1 20 9 9 LEU HA H 4.030 0.030 1 21 9 9 LEU HB2 H 1.508 0.030 2 22 9 9 LEU HB3 H 1.185 0.030 2 23 9 9 LEU HD1 H 0.726 0.030 1 24 9 9 LEU HD2 H 0.658 0.030 1 25 9 9 LEU HG H 1.424 0.030 1 26 9 9 LEU C C 175.672 0.300 1 27 9 9 LEU CA C 54.871 0.300 1 28 9 9 LEU CB C 43.072 0.300 1 29 9 9 LEU CD1 C 24.271 0.300 2 30 9 9 LEU CD2 C 23.749 0.300 2 31 9 9 LEU CG C 26.952 0.300 1 32 9 9 LEU N N 125.334 0.300 1 33 10 10 LEU H H 8.484 0.030 1 34 10 10 LEU HA H 4.413 0.030 1 35 10 10 LEU HB2 H 2.026 0.030 2 36 10 10 LEU HB3 H 1.372 0.030 2 37 10 10 LEU HD1 H 0.779 0.030 1 38 10 10 LEU HD2 H 0.798 0.030 1 39 10 10 LEU HG H 1.751 0.030 1 40 10 10 LEU C C 175.655 0.300 1 41 10 10 LEU CA C 53.860 0.300 1 42 10 10 LEU CB C 42.260 0.300 1 43 10 10 LEU CD1 C 25.315 0.300 2 44 10 10 LEU CD2 C 22.619 0.300 2 45 10 10 LEU CG C 26.962 0.300 1 46 10 10 LEU N N 126.233 0.300 1 47 11 11 LYS H H 8.209 0.030 1 48 11 11 LYS HA H 4.621 0.030 1 49 11 11 LYS HB2 H 1.791 0.030 2 50 11 11 LYS HB3 H 1.548 0.030 2 51 11 11 LYS HD2 H 1.648 0.030 2 52 11 11 LYS HD3 H 1.610 0.030 2 53 11 11 LYS HE2 H 2.960 0.030 1 54 11 11 LYS HE3 H 2.960 0.030 1 55 11 11 LYS HG2 H 1.359 0.030 1 56 11 11 LYS HG3 H 1.359 0.030 1 57 11 11 LYS CA C 54.395 0.300 1 58 11 11 LYS CB C 34.298 0.300 1 59 11 11 LYS CD C 28.822 0.300 1 60 11 11 LYS CE C 42.073 0.300 1 61 11 11 LYS CG C 24.478 0.300 1 62 11 11 LYS N N 121.058 0.300 1 63 12 12 CYS H H 8.247 0.030 1 64 12 12 CYS HA H 4.550 0.030 1 65 12 12 CYS HB2 H 3.099 0.030 2 66 12 12 CYS HB3 H 2.958 0.030 2 67 12 12 CYS CA C 58.003 0.300 1 68 12 12 CYS CB C 30.896 0.300 1 69 12 12 CYS N N 126.604 0.300 1 70 13 13 PRO HA H 4.639 0.030 1 71 13 13 PRO HB2 H 2.211 0.030 2 72 13 13 PRO HB3 H 2.171 0.030 2 73 13 13 PRO HD2 H 4.492 0.030 2 74 13 13 PRO HD3 H 3.886 0.030 2 75 13 13 PRO HG2 H 2.120 0.030 2 76 13 13 PRO HG3 H 1.938 0.030 2 77 13 13 PRO C C 176.956 0.300 1 78 13 13 PRO CA C 63.384 0.300 1 79 13 13 PRO CB C 31.864 0.300 1 80 13 13 PRO CD C 51.585 0.300 1 81 13 13 PRO CG C 26.470 0.300 1 82 14 14 THR H H 8.584 0.030 1 83 14 14 THR HA H 3.900 0.030 1 84 14 14 THR HB H 3.683 0.030 1 85 14 14 THR HG2 H 0.712 0.030 1 86 14 14 THR C C 174.075 0.300 1 87 14 14 THR CA C 64.325 0.300 1 88 14 14 THR CB C 68.772 0.300 1 89 14 14 THR CG2 C 20.551 0.300 1 90 14 14 THR N N 122.487 0.300 1 91 15 15 ASP H H 8.668 0.030 1 92 15 15 ASP HA H 4.326 0.030 1 93 15 15 ASP HB2 H 2.574 0.030 1 94 15 15 ASP HB3 H 2.574 0.030 1 95 15 15 ASP C C 177.201 0.300 1 96 15 15 ASP CA C 56.158 0.300 1 97 15 15 ASP CB C 40.760 0.300 1 98 15 15 ASP N N 128.717 0.300 1 99 16 16 GLY H H 8.788 0.030 1 100 16 16 GLY HA2 H 4.145 0.030 2 101 16 16 GLY HA3 H 3.654 0.030 2 102 16 16 GLY C C 173.078 0.300 1 103 16 16 GLY CA C 45.394 0.300 1 104 16 16 GLY N N 113.244 0.300 1 105 17 17 CYS H H 7.819 0.030 1 106 17 17 CYS HA H 4.570 0.030 1 107 17 17 CYS HB2 H 3.148 0.030 2 108 17 17 CYS HB3 H 2.578 0.030 2 109 17 17 CYS C C 175.177 0.300 1 110 17 17 CYS CA C 59.445 0.300 1 111 17 17 CYS CB C 30.419 0.300 1 112 17 17 CYS N N 123.122 0.300 1 113 18 18 ASP H H 8.637 0.030 1 114 18 18 ASP HA H 4.819 0.030 1 115 18 18 ASP HB2 H 2.746 0.030 1 116 18 18 ASP HB3 H 2.746 0.030 1 117 18 18 ASP C C 175.876 0.300 1 118 18 18 ASP CA C 53.699 0.300 1 119 18 18 ASP CB C 41.240 0.300 1 120 18 18 ASP N N 128.117 0.300 1 121 19 19 TYR H H 8.772 0.030 1 122 19 19 TYR HA H 4.081 0.030 1 123 19 19 TYR HB2 H 2.694 0.030 2 124 19 19 TYR HB3 H 2.354 0.030 2 125 19 19 TYR HD1 H 6.493 0.030 1 126 19 19 TYR HD2 H 6.493 0.030 1 127 19 19 TYR HE1 H 6.488 0.030 1 128 19 19 TYR HE2 H 6.488 0.030 1 129 19 19 TYR C C 174.375 0.300 1 130 19 19 TYR CA C 61.122 0.300 1 131 19 19 TYR CB C 39.914 0.300 1 132 19 19 TYR CD1 C 132.296 0.300 1 133 19 19 TYR CD2 C 132.296 0.300 1 134 19 19 TYR CE1 C 117.421 0.300 1 135 19 19 TYR CE2 C 117.421 0.300 1 136 19 19 TYR N N 125.600 0.300 1 137 20 20 SER H H 7.024 0.030 1 138 20 20 SER HA H 5.046 0.030 1 139 20 20 SER HB2 H 3.592 0.030 2 140 20 20 SER HB3 H 3.406 0.030 2 141 20 20 SER C C 171.598 0.300 1 142 20 20 SER CA C 56.265 0.300 1 143 20 20 SER CB C 66.504 0.300 1 144 20 20 SER N N 120.719 0.300 1 145 21 21 THR H H 8.443 0.030 1 146 21 21 THR HA H 4.825 0.030 1 147 21 21 THR HB H 4.228 0.030 1 148 21 21 THR HG2 H 1.089 0.030 1 149 21 21 THR C C 171.639 0.300 1 150 21 21 THR CA C 69.185 0.300 1 151 21 21 THR CB C 69.178 0.300 1 152 21 21 THR CG2 C 20.457 0.300 1 153 21 21 THR N N 115.314 0.300 1 154 22 22 PRO HA H 5.016 0.030 1 155 22 22 PRO HB2 H 2.221 0.030 2 156 22 22 PRO HB3 H 2.014 0.030 2 157 22 22 PRO HD2 H 3.873 0.030 2 158 22 22 PRO HD3 H 3.623 0.030 2 159 22 22 PRO HG2 H 1.936 0.030 1 160 22 22 PRO HG3 H 1.936 0.030 1 161 22 22 PRO C C 176.146 0.300 1 162 22 22 PRO CA C 63.164 0.300 1 163 22 22 PRO CB C 32.303 0.300 1 164 22 22 PRO CD C 51.486 0.300 1 165 22 22 PRO CG C 26.862 0.300 1 166 23 23 ASP H H 8.130 0.030 1 167 23 23 ASP HA H 4.815 0.030 1 168 23 23 ASP HB2 H 2.829 0.030 2 169 23 23 ASP HB3 H 2.470 0.030 2 170 23 23 ASP C C 175.789 0.300 1 171 23 23 ASP CA C 53.219 0.300 1 172 23 23 ASP CB C 43.529 0.300 1 173 23 23 ASP N N 120.516 0.300 1 174 24 24 LYS H H 8.992 0.030 1 175 24 24 LYS HA H 3.832 0.030 1 176 24 24 LYS HB2 H 1.803 0.030 2 177 24 24 LYS HB3 H 1.684 0.030 2 178 24 24 LYS HD2 H 1.542 0.030 1 179 24 24 LYS HD3 H 1.542 0.030 1 180 24 24 LYS HE2 H 2.812 0.030 1 181 24 24 LYS HE3 H 2.812 0.030 1 182 24 24 LYS HG2 H 1.205 0.030 2 183 24 24 LYS HG3 H 0.887 0.030 2 184 24 24 LYS C C 178.079 0.300 1 185 24 24 LYS CA C 59.555 0.300 1 186 24 24 LYS CB C 31.714 0.300 1 187 24 24 LYS CD C 29.446 0.300 1 188 24 24 LYS CE C 42.041 0.300 1 189 24 24 LYS CG C 23.916 0.300 1 190 24 24 LYS N N 126.987 0.300 1 191 25 25 TYR H H 8.426 0.030 1 192 25 25 TYR HA H 4.341 0.030 1 193 25 25 TYR HB2 H 3.191 0.030 2 194 25 25 TYR HB3 H 3.135 0.030 2 195 25 25 TYR HD1 H 7.286 0.030 1 196 25 25 TYR HD2 H 7.286 0.030 1 197 25 25 TYR HE1 H 6.884 0.030 1 198 25 25 TYR HE2 H 6.884 0.030 1 199 25 25 TYR C C 179.681 0.300 1 200 25 25 TYR CA C 61.111 0.300 1 201 25 25 TYR CB C 36.679 0.300 1 202 25 25 TYR CD1 C 133.200 0.300 1 203 25 25 TYR CD2 C 133.200 0.300 1 204 25 25 TYR CE1 C 118.275 0.300 1 205 25 25 TYR CE2 C 118.275 0.300 1 206 25 25 TYR N N 120.154 0.300 1 207 26 26 LYS H H 7.659 0.030 1 208 26 26 LYS HA H 4.162 0.030 1 209 26 26 LYS HB2 H 2.339 0.030 2 210 26 26 LYS HB3 H 2.078 0.030 2 211 26 26 LYS HD2 H 1.801 0.030 2 212 26 26 LYS HD3 H 1.711 0.030 2 213 26 26 LYS HE2 H 3.070 0.030 2 214 26 26 LYS HE3 H 3.043 0.030 2 215 26 26 LYS HG2 H 1.530 0.030 2 216 26 26 LYS HG3 H 1.413 0.030 2 217 26 26 LYS C C 180.030 0.300 1 218 26 26 LYS CA C 59.259 0.300 1 219 26 26 LYS CB C 31.502 0.300 1 220 26 26 LYS CD C 29.234 0.300 1 221 26 26 LYS CE C 42.285 0.300 1 222 26 26 LYS CG C 26.317 0.300 1 223 26 26 LYS N N 122.481 0.300 1 224 27 27 LEU H H 8.014 0.030 1 225 27 27 LEU HA H 4.284 0.030 1 226 27 27 LEU HB2 H 2.061 0.030 2 227 27 27 LEU HB3 H 1.393 0.030 2 228 27 27 LEU HD1 H 0.950 0.030 1 229 27 27 LEU HD2 H 1.002 0.030 1 230 27 27 LEU HG H 1.751 0.030 1 231 27 27 LEU C C 177.862 0.300 1 232 27 27 LEU CA C 58.207 0.300 1 233 27 27 LEU CB C 40.529 0.300 1 234 27 27 LEU CD1 C 26.018 0.300 2 235 27 27 LEU CD2 C 22.810 0.300 2 236 27 27 LEU CG C 27.160 0.300 1 237 27 27 LEU N N 122.021 0.300 1 238 28 28 GLN H H 7.938 0.030 1 239 28 28 GLN HA H 3.932 0.030 1 240 28 28 GLN HB2 H 2.205 0.030 2 241 28 28 GLN HB3 H 2.176 0.030 2 242 28 28 GLN HE21 H 7.487 0.030 2 243 28 28 GLN HE22 H 6.880 0.030 2 244 28 28 GLN HG2 H 2.550 0.030 2 245 28 28 GLN HG3 H 2.436 0.030 2 246 28 28 GLN C C 178.543 0.300 1 247 28 28 GLN CA C 59.242 0.300 1 248 28 28 GLN CB C 28.397 0.300 1 249 28 28 GLN CG C 33.903 0.300 1 250 28 28 GLN N N 116.835 0.300 1 251 28 28 GLN NE2 N 111.411 0.300 1 252 29 29 ALA H H 7.580 0.030 1 253 29 29 ALA HA H 4.128 0.030 1 254 29 29 ALA HB H 1.485 0.030 1 255 29 29 ALA C C 180.172 0.300 1 256 29 29 ALA CA C 54.902 0.300 1 257 29 29 ALA CB C 18.158 0.300 1 258 29 29 ALA N N 120.272 0.300 1 259 30 30 HIS H H 8.147 0.030 1 260 30 30 HIS HA H 3.973 0.030 1 261 30 30 HIS HB2 H 3.335 0.030 2 262 30 30 HIS HB3 H 2.585 0.030 2 263 30 30 HIS HD2 H 6.918 0.030 1 264 30 30 HIS HE1 H 7.510 0.030 1 265 30 30 HIS C C 176.065 0.300 1 266 30 30 HIS CA C 59.249 0.300 1 267 30 30 HIS CB C 27.802 0.300 1 268 30 30 HIS CD2 C 126.529 0.300 1 269 30 30 HIS CE1 C 138.853 0.300 1 270 30 30 HIS N N 119.611 0.300 1 271 31 31 LEU H H 8.037 0.030 1 272 31 31 LEU HA H 3.771 0.030 1 273 31 31 LEU HB2 H 1.872 0.030 2 274 31 31 LEU HB3 H 1.591 0.030 2 275 31 31 LEU HD1 H 0.983 0.030 1 276 31 31 LEU HD2 H 1.074 0.030 1 277 31 31 LEU HG H 2.116 0.030 1 278 31 31 LEU C C 179.067 0.300 1 279 31 31 LEU CA C 58.108 0.300 1 280 31 31 LEU CB C 41.654 0.300 1 281 31 31 LEU CD1 C 25.311 0.300 2 282 31 31 LEU CD2 C 23.779 0.300 2 283 31 31 LEU CG C 26.850 0.300 1 284 31 31 LEU N N 116.087 0.300 1 285 32 32 LYS H H 7.097 0.030 1 286 32 32 LYS HA H 4.064 0.030 1 287 32 32 LYS HB2 H 1.863 0.030 2 288 32 32 LYS HB3 H 1.816 0.030 2 289 32 32 LYS HD2 H 1.690 0.030 1 290 32 32 LYS HD3 H 1.690 0.030 1 291 32 32 LYS HE2 H 2.983 0.030 1 292 32 32 LYS HE3 H 2.983 0.030 1 293 32 32 LYS HG2 H 1.582 0.030 2 294 32 32 LYS HG3 H 1.476 0.030 2 295 32 32 LYS C C 178.727 0.300 1 296 32 32 LYS CA C 58.284 0.300 1 297 32 32 LYS CB C 32.159 0.300 1 298 32 32 LYS CD C 29.024 0.300 1 299 32 32 LYS CE C 42.068 0.300 1 300 32 32 LYS CG C 25.083 0.300 1 301 32 32 LYS N N 116.128 0.300 1 302 33 33 VAL H H 7.881 0.030 1 303 33 33 VAL HA H 3.857 0.030 1 304 33 33 VAL HB H 1.855 0.030 1 305 33 33 VAL HG1 H 0.582 0.030 1 306 33 33 VAL HG2 H 0.392 0.030 1 307 33 33 VAL C C 177.316 0.300 1 308 33 33 VAL CA C 64.001 0.300 1 309 33 33 VAL CB C 30.900 0.300 1 310 33 33 VAL CG1 C 19.908 0.300 2 311 33 33 VAL CG2 C 19.518 0.300 2 312 33 33 VAL N N 116.449 0.300 1 313 34 34 HIS H H 7.114 0.030 1 314 34 34 HIS HA H 4.685 0.030 1 315 34 34 HIS HB2 H 3.283 0.030 2 316 34 34 HIS HB3 H 3.096 0.030 2 317 34 34 HIS HD2 H 6.504 0.030 1 318 34 34 HIS HE1 H 8.016 0.030 1 319 34 34 HIS C C 175.313 0.300 1 320 34 34 HIS CA C 55.594 0.300 1 321 34 34 HIS CB C 28.811 0.300 1 322 34 34 HIS CD2 C 127.846 0.300 1 323 34 34 HIS CE1 C 139.667 0.300 1 324 34 34 HIS N N 117.064 0.300 1 325 35 35 THR H H 7.676 0.030 1 326 35 35 THR HA H 4.322 0.030 1 327 35 35 THR HB H 4.235 0.030 1 328 35 35 THR HG2 H 1.212 0.030 1 329 35 35 THR C C 174.041 0.300 1 330 35 35 THR CA C 62.128 0.300 1 331 35 35 THR CB C 69.908 0.300 1 332 35 35 THR CG2 C 21.575 0.300 1 333 35 35 THR N N 113.028 0.300 1 334 36 36 ALA H H 8.176 0.030 1 335 36 36 ALA HA H 4.351 0.030 1 336 36 36 ALA HB H 1.411 0.030 1 337 36 36 ALA C C 177.366 0.300 1 338 36 36 ALA CA C 52.604 0.300 1 339 36 36 ALA CB C 19.214 0.300 1 340 36 36 ALA N N 126.417 0.300 1 341 37 37 LEU H H 8.225 0.030 1 342 37 37 LEU HA H 4.376 0.030 1 343 37 37 LEU HB2 H 1.628 0.030 1 344 37 37 LEU HB3 H 1.628 0.030 1 345 37 37 LEU HD1 H 0.919 0.030 1 346 37 37 LEU HD2 H 0.857 0.030 1 347 37 37 LEU HG H 1.643 0.030 1 348 37 37 LEU C C 176.322 0.300 1 349 37 37 LEU CA C 54.937 0.300 1 350 37 37 LEU CB C 42.503 0.300 1 351 37 37 LEU CD1 C 25.150 0.300 2 352 37 37 LEU CD2 C 23.233 0.300 2 353 37 37 LEU CG C 26.927 0.300 1 354 37 37 LEU N N 121.932 0.300 1 355 38 38 ASP H H 7.845 0.030 1 356 38 38 ASP HA H 4.339 0.030 1 357 38 38 ASP HB2 H 2.638 0.030 2 358 38 38 ASP HB3 H 2.557 0.030 2 359 38 38 ASP CA C 55.836 0.300 1 360 38 38 ASP CB C 42.268 0.300 1 361 38 38 ASP N N 126.170 0.300 1 stop_ save_