data_11478 ####################### # 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 11478 _BMRB_flat_file_name bmr11478.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" 180 "13C chemical shifts" 137 "15N chemical shifts" 28 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 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; GSSGSSGHLYYCSQCHYSSI TKNCLKRHVIQKHSNIL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 HIS 9 LEU 10 TYR 11 TYR 12 CYS 13 SER 14 GLN 15 CYS 16 HIS 17 TYR 18 SER 19 SER 20 ILE 21 THR 22 LYS 23 ASN 24 CYS 25 LEU 26 LYS 27 ARG 28 HIS 29 VAL 30 ILE 31 GLN 32 LYS 33 HIS 34 SER 35 ASN 36 ILE 37 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 2ELM "Solution Structure Of The 10th C2h2 Zinc Finger Of Human Zinc Finger Protein 406" 100.00 37 100.00 100.00 6.50e-16 PDB 2RUY "Solution Structures Of The Dna-binding Domain (zf10) Of Immune-related Zinc-finger Protein Zfat" 100.00 37 100.00 100.00 6.50e-16 DBJ BAA96009 "KIAA1485 protein [Homo sapiens]" 81.08 1104 100.00 100.00 3.05e-10 DBJ BAD12567 "ZFAT-1 [Homo sapiens]" 81.08 1243 100.00 100.00 2.26e-10 DBJ BAD12568 "ZFAT-2 [Homo sapiens]" 81.08 1231 100.00 100.00 2.53e-10 DBJ BAD12569 "ZFAT-3 [Homo sapiens]" 81.08 1231 100.00 100.00 2.53e-10 DBJ BAD12570 "TR-ZFAT [Homo sapiens]" 81.08 846 100.00 100.00 5.93e-11 GB AAH12989 "ZFAT protein, partial [Homo sapiens]" 81.08 1190 100.00 100.00 9.23e-11 GB AAH25423 "ZFAT protein, partial [Homo sapiens]" 81.08 1169 100.00 100.00 3.11e-10 GB AAH53930 "Zinc finger and AT hook domain containing [Mus musculus]" 81.08 1219 100.00 100.00 7.97e-11 GB AAH98405 "ZFAT protein, partial [Homo sapiens]" 81.08 1204 100.00 100.00 9.18e-11 GB AAI01767 "Zinc finger and AT hook domain containing [Homo sapiens]" 81.08 1243 100.00 100.00 2.26e-10 REF NP_001025110 "zinc finger protein ZFAT isoform 2 [Homo sapiens]" 81.08 1231 100.00 100.00 2.61e-10 REF NP_001128429 "zinc finger protein ZFAT [Rattus norvegicus]" 81.08 1218 100.00 100.00 7.75e-11 REF NP_001139360 "zinc finger protein ZFAT isoform 1 [Mus musculus]" 81.08 1237 100.00 100.00 7.14e-11 REF NP_001161055 "zinc finger protein ZFAT isoform 2 [Homo sapiens]" 81.08 1231 100.00 100.00 2.61e-10 REF NP_001167628 "zinc finger protein ZFAT isoform 3 [Homo sapiens]" 81.08 1181 100.00 100.00 2.57e-10 SP Q7TS63 "RecName: Full=Zinc finger protein ZFAT; AltName: Full=Zinc finger protein 406" 81.08 1237 100.00 100.00 7.14e-11 SP Q9P243 "RecName: Full=Zinc finger protein ZFAT; AltName: Full=Zinc finger gene in AITD susceptibility region; AltName: Full=Zinc finger" 81.08 1243 100.00 100.00 2.26e-10 TPG DAA22834 "TPA: zinc finger protein 406-like [Bos taurus]" 81.08 1519 100.00 100.00 7.39e-11 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 . P060718-04 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 0.72 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 700 _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 3.897 0.030 2 2 7 7 GLY C C 173.579 0.300 1 3 7 7 GLY CA C 45.288 0.300 1 4 8 8 HIS H H 8.065 0.030 1 5 8 8 HIS HA H 4.415 0.030 1 6 8 8 HIS HB2 H 2.892 0.030 1 7 8 8 HIS HB3 H 2.892 0.030 1 8 8 8 HIS HD2 H 6.602 0.030 1 9 8 8 HIS C C 174.410 0.300 1 10 8 8 HIS CA C 56.247 0.300 1 11 8 8 HIS CB C 31.106 0.300 1 12 8 8 HIS CD2 C 119.457 0.300 1 13 8 8 HIS N N 119.614 0.300 1 14 9 9 LEU H H 7.440 0.030 1 15 9 9 LEU HA H 4.241 0.030 1 16 9 9 LEU HB2 H 1.195 0.030 2 17 9 9 LEU HB3 H 0.644 0.030 2 18 9 9 LEU HD1 H 0.693 0.030 1 19 9 9 LEU HD2 H 0.576 0.030 1 20 9 9 LEU HG H 1.262 0.030 1 21 9 9 LEU C C 174.828 0.300 1 22 9 9 LEU CA C 54.081 0.300 1 23 9 9 LEU CB C 44.643 0.300 1 24 9 9 LEU CD1 C 24.885 0.300 2 25 9 9 LEU CD2 C 23.593 0.300 2 26 9 9 LEU CG C 26.964 0.300 1 27 9 9 LEU N N 121.989 0.300 1 28 10 10 TYR H H 8.332 0.030 1 29 10 10 TYR HA H 4.414 0.030 1 30 10 10 TYR HB2 H 2.871 0.030 2 31 10 10 TYR HB3 H 2.578 0.030 2 32 10 10 TYR HD1 H 6.954 0.030 1 33 10 10 TYR HD2 H 6.954 0.030 1 34 10 10 TYR HE1 H 6.818 0.030 1 35 10 10 TYR HE2 H 6.818 0.030 1 36 10 10 TYR C C 174.442 0.300 1 37 10 10 TYR CA C 57.488 0.300 1 38 10 10 TYR CB C 39.249 0.300 1 39 10 10 TYR CD1 C 133.377 0.300 1 40 10 10 TYR CD2 C 133.377 0.300 1 41 10 10 TYR CE1 C 118.219 0.300 1 42 10 10 TYR CE2 C 118.219 0.300 1 43 10 10 TYR N N 119.044 0.300 1 44 11 11 TYR H H 8.662 0.030 1 45 11 11 TYR HA H 4.655 0.030 1 46 11 11 TYR HB2 H 3.182 0.030 2 47 11 11 TYR HB3 H 2.622 0.030 2 48 11 11 TYR HD1 H 7.062 0.030 1 49 11 11 TYR HD2 H 7.062 0.030 1 50 11 11 TYR HE1 H 6.645 0.030 1 51 11 11 TYR HE2 H 6.645 0.030 1 52 11 11 TYR C C 175.400 0.300 1 53 11 11 TYR CA C 57.740 0.300 1 54 11 11 TYR CB C 39.980 0.300 1 55 11 11 TYR CD1 C 133.456 0.300 1 56 11 11 TYR CD2 C 133.456 0.300 1 57 11 11 TYR CE1 C 117.949 0.300 1 58 11 11 TYR CE2 C 117.949 0.300 1 59 11 11 TYR N N 120.927 0.300 1 60 12 12 CYS H H 8.619 0.030 1 61 12 12 CYS HA H 4.341 0.030 1 62 12 12 CYS HB2 H 2.718 0.030 2 63 12 12 CYS HB3 H 3.402 0.030 2 64 12 12 CYS C C 175.561 0.300 1 65 12 12 CYS CA C 60.277 0.300 1 66 12 12 CYS CB C 29.980 0.300 1 67 12 12 CYS N N 125.819 0.300 1 68 13 13 SER H H 8.754 0.030 1 69 13 13 SER HA H 4.570 0.030 1 70 13 13 SER HB2 H 4.069 0.030 2 71 13 13 SER HB3 H 3.986 0.030 2 72 13 13 SER C C 175.105 0.300 1 73 13 13 SER CA C 59.780 0.300 1 74 13 13 SER CB C 63.881 0.300 1 75 13 13 SER N N 122.082 0.300 1 76 14 14 GLN H H 9.661 0.030 1 77 14 14 GLN HA H 4.373 0.030 1 78 14 14 GLN HB2 H 1.601 0.030 2 79 14 14 GLN HB3 H 0.531 0.030 2 80 14 14 GLN HE21 H 7.443 0.030 2 81 14 14 GLN HE22 H 6.934 0.030 2 82 14 14 GLN HG2 H 1.994 0.030 2 83 14 14 GLN HG3 H 1.934 0.030 2 84 14 14 GLN C C 174.676 0.300 1 85 14 14 GLN CA C 56.286 0.300 1 86 14 14 GLN CB C 30.496 0.300 1 87 14 14 GLN CG C 34.826 0.300 1 88 14 14 GLN N N 123.244 0.300 1 89 14 14 GLN NE2 N 111.905 0.300 1 90 15 15 CYS H H 7.944 0.030 1 91 15 15 CYS HA H 4.872 0.030 1 92 15 15 CYS HB2 H 3.312 0.030 1 93 15 15 CYS HB3 H 3.312 0.030 1 94 15 15 CYS C C 173.096 0.300 1 95 15 15 CYS CA C 58.645 0.300 1 96 15 15 CYS CB C 29.537 0.300 1 97 15 15 CYS N N 119.763 0.300 1 98 16 16 HIS H H 8.057 0.030 1 99 16 16 HIS HA H 4.863 0.030 1 100 16 16 HIS HB2 H 3.279 0.030 2 101 16 16 HIS HB3 H 3.206 0.030 2 102 16 16 HIS HD2 H 7.027 0.030 1 103 16 16 HIS C C 174.817 0.300 1 104 16 16 HIS CA C 57.081 0.300 1 105 16 16 HIS CB C 29.946 0.300 1 106 16 16 HIS CD2 C 119.228 0.300 1 107 16 16 HIS N N 115.117 0.300 1 108 17 17 TYR H H 8.812 0.030 1 109 17 17 TYR HA H 4.039 0.030 1 110 17 17 TYR HB2 H 2.697 0.030 2 111 17 17 TYR HB3 H 1.947 0.030 2 112 17 17 TYR HD1 H 6.461 0.030 1 113 17 17 TYR HD2 H 6.461 0.030 1 114 17 17 TYR HE1 H 6.441 0.030 1 115 17 17 TYR HE2 H 6.441 0.030 1 116 17 17 TYR C C 173.403 0.300 1 117 17 17 TYR CA C 60.508 0.300 1 118 17 17 TYR CB C 40.408 0.300 1 119 17 17 TYR CD1 C 132.441 0.300 1 120 17 17 TYR CD2 C 132.441 0.300 1 121 17 17 TYR CE1 C 117.618 0.300 1 122 17 17 TYR CE2 C 117.618 0.300 1 123 17 17 TYR N N 126.456 0.300 1 124 18 18 SER H H 6.898 0.030 1 125 18 18 SER HA H 4.890 0.030 1 126 18 18 SER HB2 H 3.412 0.030 2 127 18 18 SER HB3 H 3.003 0.030 2 128 18 18 SER C C 171.682 0.300 1 129 18 18 SER CA C 55.919 0.300 1 130 18 18 SER CB C 66.851 0.300 1 131 18 18 SER N N 120.843 0.300 1 132 19 19 SER H H 8.553 0.030 1 133 19 19 SER HA H 4.441 0.030 1 134 19 19 SER HB2 H 3.903 0.030 2 135 19 19 SER HB3 H 3.413 0.030 2 136 19 19 SER C C 174.159 0.300 1 137 19 19 SER CA C 56.392 0.300 1 138 19 19 SER CB C 65.674 0.300 1 139 19 19 SER N N 110.381 0.300 1 140 20 20 ILE HA H 4.443 0.030 1 141 20 20 ILE HB H 1.996 0.030 1 142 20 20 ILE HD1 H 0.895 0.030 1 143 20 20 ILE HG12 H 1.539 0.030 2 144 20 20 ILE HG13 H 1.221 0.030 2 145 20 20 ILE HG2 H 0.976 0.030 1 146 20 20 ILE CA C 62.884 0.300 1 147 20 20 ILE CB C 39.064 0.300 1 148 20 20 ILE CD1 C 13.921 0.300 1 149 20 20 ILE CG1 C 27.736 0.300 1 150 20 20 ILE CG2 C 17.903 0.300 1 151 22 22 LYS HA H 3.133 0.030 1 152 22 22 LYS HB2 H 1.155 0.030 2 153 22 22 LYS HB3 H 1.449 0.030 2 154 22 22 LYS HD2 H 1.524 0.030 1 155 22 22 LYS HD3 H 1.524 0.030 1 156 22 22 LYS HE2 H 2.891 0.030 1 157 22 22 LYS HE3 H 2.891 0.030 1 158 22 22 LYS HG2 H 0.949 0.030 2 159 22 22 LYS HG3 H 0.899 0.030 2 160 22 22 LYS CA C 59.349 0.300 1 161 22 22 LYS CB C 31.734 0.300 1 162 22 22 LYS CD C 29.289 0.300 1 163 22 22 LYS CE C 41.878 0.300 1 164 22 22 LYS CG C 25.051 0.300 1 165 23 23 ASN HA H 4.371 0.030 1 166 23 23 ASN HB2 H 2.798 0.030 2 167 23 23 ASN HB3 H 2.696 0.030 2 168 23 23 ASN CA C 56.343 0.300 1 169 23 23 ASN CB C 37.899 0.300 1 170 24 24 CYS HA H 4.573 0.030 1 171 24 24 CYS HB2 H 3.302 0.030 2 172 24 24 CYS C C 177.567 0.300 1 173 24 24 CYS CA C 57.305 0.300 1 174 24 24 CYS CB C 38.604 0.300 1 175 25 25 LEU H H 7.308 0.030 1 176 25 25 LEU HA H 4.366 0.030 1 177 25 25 LEU HB2 H 2.061 0.030 2 178 25 25 LEU HB3 H 1.495 0.030 2 179 25 25 LEU HD1 H 0.993 0.030 1 180 25 25 LEU HD2 H 0.946 0.030 1 181 25 25 LEU HG H 1.749 0.030 1 182 25 25 LEU C C 177.611 0.300 1 183 25 25 LEU CA C 58.222 0.300 1 184 25 25 LEU CB C 40.452 0.300 1 185 25 25 LEU CD1 C 23.149 0.300 2 186 25 25 LEU CD2 C 26.355 0.300 2 187 25 25 LEU CG C 27.024 0.300 1 188 25 25 LEU N N 123.169 0.300 1 189 26 26 LYS H H 8.152 0.030 1 190 26 26 LYS HA H 3.952 0.030 1 191 26 26 LYS HB2 H 1.886 0.030 1 192 26 26 LYS HB3 H 1.886 0.030 1 193 26 26 LYS HD2 H 1.630 0.030 1 194 26 26 LYS HD3 H 1.630 0.030 1 195 26 26 LYS HE2 H 2.909 0.030 1 196 26 26 LYS HE3 H 2.909 0.030 1 197 26 26 LYS HG2 H 1.531 0.030 2 198 26 26 LYS HG3 H 1.374 0.030 2 199 26 26 LYS C C 178.949 0.300 1 200 26 26 LYS CA C 59.879 0.300 1 201 26 26 LYS CB C 32.030 0.300 1 202 26 26 LYS CD C 29.202 0.300 1 203 26 26 LYS CE C 42.078 0.300 1 204 26 26 LYS CG C 25.002 0.300 1 205 26 26 LYS N N 119.077 0.300 1 206 27 27 ARG H H 7.658 0.030 1 207 27 27 ARG HA H 3.923 0.030 1 208 27 27 ARG HB2 H 1.899 0.030 1 209 27 27 ARG HB3 H 1.899 0.030 1 210 27 27 ARG HD2 H 3.161 0.030 1 211 27 27 ARG HD3 H 3.161 0.030 1 212 27 27 ARG HE H 8.221 0.030 1 213 27 27 ARG HG2 H 1.779 0.030 2 214 27 27 ARG HG3 H 1.630 0.030 2 215 27 27 ARG C C 177.891 0.300 1 216 27 27 ARG CA C 59.162 0.300 1 217 27 27 ARG CB C 29.946 0.300 1 218 27 27 ARG CD C 43.417 0.300 1 219 27 27 ARG CG C 27.166 0.300 1 220 27 27 ARG N N 117.079 0.300 1 221 27 27 ARG NE N 93.213 0.300 1 222 28 28 HIS H H 7.884 0.030 1 223 28 28 HIS HA H 3.983 0.030 1 224 28 28 HIS HB2 H 3.422 0.030 2 225 28 28 HIS HB3 H 2.536 0.030 2 226 28 28 HIS HD2 H 6.872 0.030 1 227 28 28 HIS HE1 H 7.470 0.030 1 228 28 28 HIS C C 176.047 0.300 1 229 28 28 HIS CA C 59.687 0.300 1 230 28 28 HIS CB C 27.613 0.300 1 231 28 28 HIS CD2 C 126.706 0.300 1 232 28 28 HIS CE1 C 138.379 0.300 1 233 28 28 HIS N N 119.539 0.300 1 234 29 29 VAL H H 8.451 0.030 1 235 29 29 VAL HA H 3.305 0.030 1 236 29 29 VAL HB H 2.214 0.030 1 237 29 29 VAL HG1 H 1.010 0.030 1 238 29 29 VAL HG2 H 1.388 0.030 1 239 29 29 VAL C C 178.889 0.300 1 240 29 29 VAL CA C 67.279 0.300 1 241 29 29 VAL CB C 31.753 0.300 1 242 29 29 VAL CG1 C 21.896 0.300 2 243 29 29 VAL CG2 C 23.866 0.300 2 244 29 29 VAL N N 119.437 0.300 1 245 30 30 ILE H H 7.581 0.030 1 246 30 30 ILE HA H 3.635 0.030 1 247 30 30 ILE HB H 1.819 0.030 1 248 30 30 ILE HD1 H 0.800 0.030 1 249 30 30 ILE HG12 H 1.633 0.030 2 250 30 30 ILE HG13 H 1.147 0.030 2 251 30 30 ILE HG2 H 0.836 0.030 1 252 30 30 ILE C C 178.057 0.300 1 253 30 30 ILE CA C 64.239 0.300 1 254 30 30 ILE CB C 38.217 0.300 1 255 30 30 ILE CD1 C 13.217 0.300 1 256 30 30 ILE CG1 C 29.078 0.300 1 257 30 30 ILE CG2 C 17.161 0.300 1 258 30 30 ILE N N 119.199 0.300 1 259 31 31 GLN H H 7.921 0.030 1 260 31 31 GLN HA H 3.939 0.030 1 261 31 31 GLN HB2 H 1.962 0.030 2 262 31 31 GLN HB3 H 1.900 0.030 2 263 31 31 GLN HG2 H 2.460 0.030 2 264 31 31 GLN HG3 H 2.199 0.030 2 265 31 31 GLN C C 178.432 0.300 1 266 31 31 GLN CA C 58.629 0.300 1 267 31 31 GLN CB C 29.401 0.300 1 268 31 31 GLN CG C 34.150 0.300 1 269 31 31 GLN N N 117.001 0.300 1 270 32 32 LYS H H 8.241 0.030 1 271 32 32 LYS HA H 4.175 0.030 1 272 32 32 LYS HB2 H 0.786 0.030 2 273 32 32 LYS HB3 H 0.407 0.030 2 274 32 32 LYS HD2 H 1.415 0.030 1 275 32 32 LYS HD3 H 1.415 0.030 1 276 32 32 LYS HE2 H 2.893 0.030 1 277 32 32 LYS HE3 H 2.893 0.030 1 278 32 32 LYS HG2 H 0.978 0.030 1 279 32 32 LYS HG3 H 0.978 0.030 1 280 32 32 LYS C C 177.255 0.300 1 281 32 32 LYS CA C 54.883 0.300 1 282 32 32 LYS CB C 31.898 0.300 1 283 32 32 LYS CD C 27.655 0.300 1 284 32 32 LYS CE C 41.986 0.300 1 285 32 32 LYS CG C 24.440 0.300 1 286 32 32 LYS N N 113.534 0.300 1 287 33 33 HIS H H 7.694 0.030 1 288 33 33 HIS HA H 5.251 0.030 1 289 33 33 HIS HB2 H 3.301 0.030 2 290 33 33 HIS HB3 H 3.097 0.030 2 291 33 33 HIS HD2 H 6.488 0.030 1 292 33 33 HIS HE1 H 7.788 0.030 1 293 33 33 HIS C C 175.082 0.300 1 294 33 33 HIS CA C 53.215 0.300 1 295 33 33 HIS CB C 29.111 0.300 1 296 33 33 HIS CD2 C 127.463 0.300 1 297 33 33 HIS CE1 C 138.986 0.300 1 298 33 33 HIS N N 115.502 0.300 1 299 34 34 SER H H 7.961 0.030 1 300 34 34 SER HA H 4.449 0.030 1 301 34 34 SER HB2 H 3.846 0.030 1 302 34 34 SER HB3 H 3.846 0.030 1 303 34 34 SER C C 174.072 0.300 1 304 34 34 SER CA C 58.579 0.300 1 305 34 34 SER CB C 63.837 0.300 1 306 34 34 SER N N 115.259 0.300 1 307 35 35 ASN H H 8.465 0.030 1 308 35 35 ASN HA H 4.670 0.030 1 309 35 35 ASN HB2 H 2.790 0.030 2 310 35 35 ASN HB3 H 2.722 0.030 2 311 35 35 ASN HD21 H 7.562 0.030 2 312 35 35 ASN HD22 H 6.865 0.030 2 313 35 35 ASN C C 174.689 0.300 1 314 35 35 ASN CA C 53.346 0.300 1 315 35 35 ASN CB C 38.642 0.300 1 316 35 35 ASN N N 119.675 0.300 1 317 35 35 ASN ND2 N 112.929 0.300 1 318 36 36 ILE H H 7.978 0.030 1 319 36 36 ILE HA H 4.160 0.030 1 320 36 36 ILE HB H 1.863 0.030 1 321 36 36 ILE HD1 H 0.807 0.030 1 322 36 36 ILE HG12 H 1.398 0.030 2 323 36 36 ILE HG13 H 1.136 0.030 2 324 36 36 ILE HG2 H 0.864 0.030 1 325 36 36 ILE C C 175.249 0.300 1 326 36 36 ILE CA C 61.242 0.300 1 327 36 36 ILE CB C 38.600 0.300 1 328 36 36 ILE CD1 C 12.947 0.300 1 329 36 36 ILE CG1 C 27.105 0.300 1 330 36 36 ILE CG2 C 17.530 0.300 1 331 36 36 ILE N N 120.319 0.300 1 332 37 37 LEU H H 7.795 0.030 1 333 37 37 LEU HA H 4.165 0.030 1 334 37 37 LEU HB2 H 1.541 0.030 1 335 37 37 LEU HB3 H 1.541 0.030 1 336 37 37 LEU HD1 H 0.816 0.030 1 337 37 37 LEU HD2 H 0.879 0.030 1 338 37 37 LEU HG H 1.545 0.030 1 339 37 37 LEU C C 182.315 0.300 1 340 37 37 LEU CA C 56.755 0.300 1 341 37 37 LEU CB C 43.454 0.300 1 342 37 37 LEU CD1 C 23.589 0.300 2 343 37 37 LEU CD2 C 25.195 0.300 2 344 37 37 LEU CG C 27.261 0.300 1 345 37 37 LEU N N 131.725 0.300 1 stop_ save_