data_11475 ####################### # 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 11475 _BMRB_flat_file_name bmr11475.str _Entry_type original _Submission_date 2012-03-05 _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" 183 "13C chemical shifts" 132 "15N chemical shifts" 27 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 36 _Mol_residue_sequence ; GSSGSSGKPYKCPQCSYASA IKANLNVHLRKHTGEK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 PRO 10 TYR 11 LYS 12 CYS 13 PRO 14 GLN 15 CYS 16 SER 17 TYR 18 ALA 19 SER 20 ALA 21 ILE 22 LYS 23 ALA 24 ASN 25 LEU 26 ASN 27 VAL 28 HIS 29 LEU 30 ARG 31 LYS 32 HIS 33 THR 34 GLY 35 GLU 36 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 BMRB 11487 entity_1 100.00 92 100.00 100.00 6.21e-16 PDB 2ELT "Solution Structure Of The 3rd C2h2 Zinc Finger Of Human Zinc Finger Protein 406" 100.00 36 100.00 100.00 3.32e-16 PDB 2RSI "Solution Structures Of The Dna-binding Domains Of Immune-related Zinc- Finger Protein Zfat" 100.00 92 100.00 100.00 6.21e-16 PDB 2RUU "Solution Structures Of The Dna-binding Domain (zf3) Of Immune-related Zinc-finger Protein Zfat" 100.00 36 100.00 100.00 3.32e-16 PDB 2RV7 "Solution Structures Of The Dna-binding Domains (zf3-zf4-zf5) Of Immune-related Zinc-finger Protein Zfat" 100.00 92 100.00 100.00 6.21e-16 REF XP_012578353 "PREDICTED: zinc finger protein ZFAT [Condylura cristata]" 80.56 1353 100.00 100.00 3.32e-10 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 . P060718-01 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 1.09 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 3.901 0.030 1 2 7 7 GLY HA3 H 3.901 0.030 1 3 7 7 GLY CA C 45.264 0.300 1 4 8 8 LYS HA H 4.422 0.030 1 5 8 8 LYS HB2 H 1.508 0.030 2 6 8 8 LYS HB3 H 1.287 0.030 2 7 8 8 LYS HD2 H 1.525 0.030 2 8 8 8 LYS HD3 H 1.466 0.030 2 9 8 8 LYS HE2 H 2.931 0.030 1 10 8 8 LYS HE3 H 2.931 0.030 1 11 8 8 LYS HG2 H 1.302 0.030 2 12 8 8 LYS HG3 H 1.181 0.030 2 13 8 8 LYS CA C 53.583 0.300 1 14 8 8 LYS CB C 33.120 0.300 1 15 8 8 LYS CD C 29.527 0.300 1 16 8 8 LYS CE C 42.317 0.300 1 17 8 8 LYS CG C 24.794 0.300 1 18 9 9 PRO HA H 4.121 0.030 1 19 9 9 PRO HB2 H 1.980 0.030 2 20 9 9 PRO HB3 H 1.189 0.030 2 21 9 9 PRO HD2 H 3.550 0.030 2 22 9 9 PRO HD3 H 3.470 0.030 2 23 9 9 PRO HG2 H 1.786 0.030 2 24 9 9 PRO HG3 H 1.449 0.030 2 25 9 9 PRO C C 176.392 0.300 1 26 9 9 PRO CA C 63.495 0.300 1 27 9 9 PRO CB C 32.212 0.300 1 28 9 9 PRO CD C 50.432 0.300 1 29 9 9 PRO CG C 26.644 0.300 1 30 10 10 TYR H H 7.801 0.030 1 31 10 10 TYR HA H 4.607 0.030 1 32 10 10 TYR HB2 H 2.945 0.030 1 33 10 10 TYR HB3 H 2.945 0.030 1 34 10 10 TYR HD1 H 7.044 0.030 1 35 10 10 TYR HD2 H 7.044 0.030 1 36 10 10 TYR HE1 H 6.874 0.030 1 37 10 10 TYR HE2 H 6.874 0.030 1 38 10 10 TYR C C 173.957 0.300 1 39 10 10 TYR CA C 57.623 0.300 1 40 10 10 TYR CB C 36.849 0.300 1 41 10 10 TYR CD1 C 133.194 0.300 1 42 10 10 TYR CD2 C 133.194 0.300 1 43 10 10 TYR CE1 C 118.432 0.300 1 44 10 10 TYR CE2 C 118.432 0.300 1 45 10 10 TYR N N 119.413 0.300 1 46 11 11 LYS H H 8.208 0.030 1 47 11 11 LYS HA H 4.679 0.030 1 48 11 11 LYS HB2 H 1.920 0.030 2 49 11 11 LYS HB3 H 1.646 0.030 2 50 11 11 LYS HD2 H 1.719 0.030 2 51 11 11 LYS HD3 H 1.577 0.030 2 52 11 11 LYS HE2 H 2.957 0.030 1 53 11 11 LYS HE3 H 2.957 0.030 1 54 11 11 LYS HG2 H 1.426 0.030 2 55 11 11 LYS HG3 H 1.361 0.030 2 56 11 11 LYS C C 175.723 0.300 1 57 11 11 LYS CA C 54.852 0.300 1 58 11 11 LYS CB C 34.567 0.300 1 59 11 11 LYS CD C 28.900 0.300 1 60 11 11 LYS CE C 42.303 0.300 1 61 11 11 LYS CG C 24.606 0.300 1 62 11 11 LYS N N 124.483 0.300 1 63 12 12 CYS H H 8.923 0.030 1 64 12 12 CYS HA H 4.675 0.030 1 65 12 12 CYS HB2 H 3.500 0.030 2 66 12 12 CYS HB3 H 2.779 0.030 2 67 12 12 CYS C C 174.837 0.300 1 68 12 12 CYS CA C 57.638 0.300 1 69 12 12 CYS CB C 30.718 0.300 1 70 12 12 CYS N N 129.300 0.300 1 71 13 13 PRO HA H 4.647 0.030 1 72 13 13 PRO HB2 H 2.419 0.030 2 73 13 13 PRO HB3 H 2.048 0.030 2 74 13 13 PRO HD2 H 4.427 0.030 2 75 13 13 PRO HD3 H 4.073 0.030 2 76 13 13 PRO HG2 H 2.181 0.030 2 77 13 13 PRO HG3 H 2.062 0.030 2 78 13 13 PRO C C 177.663 0.300 1 79 13 13 PRO CA C 63.898 0.300 1 80 13 13 PRO CB C 32.530 0.300 1 81 13 13 PRO CD C 51.482 0.300 1 82 13 13 PRO CG C 27.256 0.300 1 83 14 14 GLN H H 9.628 0.030 1 84 14 14 GLN HA H 4.434 0.030 1 85 14 14 GLN HB2 H 1.643 0.030 2 86 14 14 GLN HB3 H 0.913 0.030 2 87 14 14 GLN HE21 H 7.289 0.030 2 88 14 14 GLN HE22 H 6.793 0.030 2 89 14 14 GLN HG2 H 2.019 0.030 2 90 14 14 GLN HG3 H 1.886 0.030 2 91 14 14 GLN C C 174.858 0.300 1 92 14 14 GLN CA C 56.137 0.300 1 93 14 14 GLN CB C 30.751 0.300 1 94 14 14 GLN CG C 34.674 0.300 1 95 14 14 GLN N N 119.831 0.300 1 96 14 14 GLN NE2 N 110.760 0.300 1 97 15 15 CYS H H 7.959 0.030 1 98 15 15 CYS HA H 5.009 0.030 1 99 15 15 CYS HB2 H 3.437 0.030 2 100 15 15 CYS HB3 H 3.213 0.030 2 101 15 15 CYS C C 173.170 0.300 1 102 15 15 CYS CA C 58.656 0.300 1 103 15 15 CYS CB C 29.849 0.300 1 104 15 15 CYS N N 120.940 0.300 1 105 16 16 SER H H 8.028 0.030 1 106 16 16 SER HA H 4.400 0.030 1 107 16 16 SER HB2 H 4.098 0.030 2 108 16 16 SER HB3 H 3.935 0.030 2 109 16 16 SER C C 174.257 0.300 1 110 16 16 SER CA C 59.587 0.300 1 111 16 16 SER CB C 63.824 0.300 1 112 16 16 SER N N 110.866 0.300 1 113 17 17 TYR H H 9.020 0.030 1 114 17 17 TYR HA H 3.953 0.030 1 115 17 17 TYR HB2 H 2.636 0.030 2 116 17 17 TYR HB3 H 2.031 0.030 2 117 17 17 TYR HD1 H 6.542 0.030 1 118 17 17 TYR HD2 H 6.542 0.030 1 119 17 17 TYR HE1 H 6.452 0.030 1 120 17 17 TYR HE2 H 6.452 0.030 1 121 17 17 TYR C C 173.170 0.300 1 122 17 17 TYR CA C 60.885 0.300 1 123 17 17 TYR CB C 39.543 0.300 1 124 17 17 TYR CD1 C 132.580 0.300 1 125 17 17 TYR CD2 C 132.580 0.300 1 126 17 17 TYR CE1 C 117.095 0.300 1 127 17 17 TYR CE2 C 117.095 0.300 1 128 17 17 TYR N N 128.129 0.300 1 129 18 18 ALA H H 6.899 0.030 1 130 18 18 ALA HA H 4.896 0.030 1 131 18 18 ALA HB H 1.136 0.030 1 132 18 18 ALA C C 175.065 0.300 1 133 18 18 ALA CA C 50.569 0.300 1 134 18 18 ALA CB C 22.969 0.300 1 135 18 18 ALA N N 127.893 0.300 1 136 19 19 SER H H 8.641 0.030 1 137 19 19 SER HA H 4.505 0.030 1 138 19 19 SER HB2 H 3.987 0.030 2 139 19 19 SER HB3 H 3.417 0.030 2 140 19 19 SER C C 173.435 0.300 1 141 19 19 SER CA C 56.482 0.300 1 142 19 19 SER CB C 65.315 0.300 1 143 19 19 SER N N 111.532 0.300 1 144 20 20 ALA HA H 4.597 0.030 1 145 20 20 ALA HB H 1.579 0.030 1 146 20 20 ALA CA C 53.212 0.300 1 147 20 20 ALA CB C 19.532 0.300 1 148 21 21 ILE H H 8.510 0.030 1 149 21 21 ILE HA H 4.464 0.030 1 150 21 21 ILE HB H 1.917 0.030 1 151 21 21 ILE HD1 H 0.889 0.030 1 152 21 21 ILE HG12 H 1.469 0.030 2 153 21 21 ILE HG13 H 1.200 0.030 2 154 21 21 ILE HG2 H 0.977 0.030 1 155 21 21 ILE C C 176.600 0.300 1 156 21 21 ILE CA C 59.484 0.300 1 157 21 21 ILE CB C 39.639 0.300 1 158 21 21 ILE CD1 C 12.516 0.300 1 159 21 21 ILE CG1 C 26.990 0.300 1 160 21 21 ILE CG2 C 18.115 0.300 1 161 21 21 ILE N N 118.142 0.300 1 162 22 22 LYS HA H 3.022 0.030 1 163 22 22 LYS HB2 H 1.447 0.030 2 164 22 22 LYS HB3 H 0.832 0.030 2 165 22 22 LYS HD2 H 1.482 0.030 2 166 22 22 LYS HD3 H 1.413 0.030 2 167 22 22 LYS HE2 H 2.891 0.030 1 168 22 22 LYS HE3 H 2.891 0.030 1 169 22 22 LYS HG2 H 1.116 0.030 2 170 22 22 LYS HG3 H 0.878 0.030 2 171 22 22 LYS C C 178.541 0.300 1 172 22 22 LYS CA C 60.396 0.300 1 173 22 22 LYS CB C 31.384 0.300 1 174 22 22 LYS CD C 28.951 0.300 1 175 22 22 LYS CE C 42.050 0.300 1 176 22 22 LYS CG C 24.749 0.300 1 177 23 23 ALA H H 8.675 0.030 1 178 23 23 ALA HA H 4.074 0.030 1 179 23 23 ALA HB H 1.385 0.030 1 180 23 23 ALA C C 179.714 0.300 1 181 23 23 ALA CA C 55.154 0.300 1 182 23 23 ALA CB C 18.366 0.300 1 183 23 23 ALA N N 119.179 0.300 1 184 24 24 ASN H H 7.076 0.030 1 185 24 24 ASN HA H 4.520 0.030 1 186 24 24 ASN HB2 H 3.298 0.030 2 187 24 24 ASN HB3 H 3.172 0.030 2 188 24 24 ASN HD21 H 7.339 0.030 2 189 24 24 ASN HD22 H 7.231 0.030 2 190 24 24 ASN C C 178.878 0.300 1 191 24 24 ASN CA C 55.201 0.300 1 192 24 24 ASN CB C 36.909 0.300 1 193 24 24 ASN N N 114.705 0.300 1 194 24 24 ASN ND2 N 110.941 0.300 1 195 25 25 LEU H H 7.499 0.030 1 196 25 25 LEU HA H 4.396 0.030 1 197 25 25 LEU HB2 H 2.211 0.030 2 198 25 25 LEU HB3 H 1.547 0.030 2 199 25 25 LEU HD1 H 1.075 0.030 1 200 25 25 LEU HD2 H 1.017 0.030 1 201 25 25 LEU HG H 1.786 0.030 1 202 25 25 LEU C C 177.627 0.300 1 203 25 25 LEU CA C 57.935 0.300 1 204 25 25 LEU CB C 40.216 0.300 1 205 25 25 LEU CD1 C 23.054 0.300 2 206 25 25 LEU CD2 C 25.820 0.300 2 207 25 25 LEU CG C 27.404 0.300 1 208 25 25 LEU N N 122.849 0.300 1 209 26 26 ASN H H 8.088 0.030 1 210 26 26 ASN HA H 4.399 0.030 1 211 26 26 ASN HB2 H 2.901 0.030 2 212 26 26 ASN HB3 H 2.807 0.030 2 213 26 26 ASN HD21 H 7.574 0.030 2 214 26 26 ASN HD22 H 6.769 0.030 2 215 26 26 ASN C C 178.015 0.300 1 216 26 26 ASN CA C 56.661 0.300 1 217 26 26 ASN CB C 37.549 0.300 1 218 26 26 ASN N N 117.517 0.300 1 219 26 26 ASN ND2 N 110.721 0.300 1 220 27 27 VAL H H 7.469 0.030 1 221 27 27 VAL HA H 3.611 0.030 1 222 27 27 VAL HB H 2.080 0.030 1 223 27 27 VAL HG1 H 1.100 0.030 1 224 27 27 VAL HG2 H 0.931 0.030 1 225 27 27 VAL C C 178.363 0.300 1 226 27 27 VAL CA C 66.403 0.300 1 227 27 27 VAL CB C 32.212 0.300 1 228 27 27 VAL CG1 C 22.550 0.300 2 229 27 27 VAL CG2 C 21.206 0.300 2 230 27 27 VAL N N 118.731 0.300 1 231 28 28 HIS H H 7.793 0.030 1 232 28 28 HIS HA H 3.827 0.030 1 233 28 28 HIS HB2 H 3.233 0.030 2 234 28 28 HIS HB3 H 2.470 0.030 2 235 28 28 HIS HD2 H 6.850 0.030 1 236 28 28 HIS HE1 H 7.553 0.030 1 237 28 28 HIS C C 176.634 0.300 1 238 28 28 HIS CA C 60.108 0.300 1 239 28 28 HIS CB C 27.778 0.300 1 240 28 28 HIS CD2 C 126.429 0.300 1 241 28 28 HIS CE1 C 138.405 0.300 1 242 28 28 HIS N N 121.308 0.300 1 243 29 29 LEU H H 8.566 0.030 1 244 29 29 LEU HA H 3.841 0.030 1 245 29 29 LEU HB2 H 1.922 0.030 2 246 29 29 LEU HB3 H 1.643 0.030 2 247 29 29 LEU HD1 H 1.071 0.030 1 248 29 29 LEU HD2 H 1.231 0.030 1 249 29 29 LEU HG H 2.065 0.030 1 250 29 29 LEU C C 179.344 0.300 1 251 29 29 LEU CA C 58.188 0.300 1 252 29 29 LEU CB C 42.268 0.300 1 253 29 29 LEU CD1 C 25.483 0.300 2 254 29 29 LEU CD2 C 24.709 0.300 2 255 29 29 LEU CG C 27.385 0.300 1 256 29 29 LEU N N 116.829 0.300 1 257 30 30 ARG H H 7.232 0.030 1 258 30 30 ARG HA H 4.123 0.030 1 259 30 30 ARG HB2 H 1.926 0.030 2 260 30 30 ARG HB3 H 1.794 0.030 2 261 30 30 ARG HD2 H 3.194 0.030 1 262 30 30 ARG HD3 H 3.194 0.030 1 263 30 30 ARG HG2 H 1.859 0.030 2 264 30 30 ARG HG3 H 1.663 0.030 2 265 30 30 ARG C C 178.468 0.300 1 266 30 30 ARG CA C 58.298 0.300 1 267 30 30 ARG CB C 29.857 0.300 1 268 30 30 ARG CD C 43.662 0.300 1 269 30 30 ARG CG C 27.632 0.300 1 270 30 30 ARG N N 117.021 0.300 1 271 31 31 LYS H H 7.896 0.030 1 272 31 31 LYS HA H 3.971 0.030 1 273 31 31 LYS HB2 H 1.361 0.030 1 274 31 31 LYS HB3 H 1.361 0.030 1 275 31 31 LYS HD2 H 1.388 0.030 1 276 31 31 LYS HD3 H 1.388 0.030 1 277 31 31 LYS HE2 H 2.845 0.030 1 278 31 31 LYS HE3 H 2.845 0.030 1 279 31 31 LYS HG2 H 1.155 0.030 1 280 31 31 LYS HG3 H 1.155 0.030 1 281 31 31 LYS C C 178.071 0.300 1 282 31 31 LYS CA C 57.896 0.300 1 283 31 31 LYS CB C 31.466 0.300 1 284 31 31 LYS CD C 29.115 0.300 1 285 31 31 LYS CE C 41.911 0.300 1 286 31 31 LYS CG C 24.666 0.300 1 287 31 31 LYS N N 118.025 0.300 1 288 32 32 HIS H H 7.281 0.030 1 289 32 32 HIS HA H 4.734 0.030 1 290 32 32 HIS HB2 H 3.268 0.030 2 291 32 32 HIS HB3 H 3.121 0.030 2 292 32 32 HIS HD2 H 6.623 0.030 1 293 32 32 HIS HE1 H 7.938 0.030 1 294 32 32 HIS C C 175.800 0.300 1 295 32 32 HIS CA C 55.720 0.300 1 296 32 32 HIS CB C 28.713 0.300 1 297 32 32 HIS CD2 C 127.339 0.300 1 298 32 32 HIS CE1 C 139.658 0.300 1 299 32 32 HIS N N 115.240 0.300 1 300 33 33 THR H H 7.799 0.030 1 301 33 33 THR HA H 4.341 0.030 1 302 33 33 THR HB H 4.316 0.030 1 303 33 33 THR HG2 H 1.239 0.030 1 304 33 33 THR C C 175.459 0.300 1 305 33 33 THR CA C 62.645 0.300 1 306 33 33 THR CB C 69.778 0.300 1 307 33 33 THR CG2 C 21.536 0.300 1 308 33 33 THR N N 112.379 0.300 1 309 34 34 GLY H H 8.298 0.030 1 310 34 34 GLY HA2 H 3.997 0.030 2 311 34 34 GLY HA3 H 3.949 0.030 2 312 34 34 GLY C C 174.092 0.300 1 313 34 34 GLY CA C 45.413 0.300 1 314 34 34 GLY N N 110.964 0.300 1 315 35 35 GLU H H 8.070 0.030 1 316 35 35 GLU HA H 4.258 0.030 1 317 35 35 GLU HB2 H 2.053 0.030 2 318 35 35 GLU HB3 H 1.918 0.030 2 319 35 35 GLU HG2 H 2.279 0.030 2 320 35 35 GLU HG3 H 2.233 0.030 2 321 35 35 GLU C C 175.562 0.300 1 322 35 35 GLU CA C 56.662 0.300 1 323 35 35 GLU CB C 30.532 0.300 1 324 35 35 GLU CG C 36.365 0.300 1 325 35 35 GLU N N 120.906 0.300 1 326 36 36 LYS H H 7.988 0.030 1 327 36 36 LYS HA H 4.139 0.030 1 328 36 36 LYS HB2 H 1.813 0.030 2 329 36 36 LYS HB3 H 1.707 0.030 2 330 36 36 LYS HD2 H 1.650 0.030 1 331 36 36 LYS HD3 H 1.650 0.030 1 332 36 36 LYS HE2 H 2.980 0.030 1 333 36 36 LYS HE3 H 2.980 0.030 1 334 36 36 LYS HG2 H 1.387 0.030 1 335 36 36 LYS HG3 H 1.387 0.030 1 336 36 36 LYS C C 181.337 0.300 1 337 36 36 LYS CA C 57.686 0.300 1 338 36 36 LYS CB C 33.723 0.300 1 339 36 36 LYS CD C 29.190 0.300 1 340 36 36 LYS CE C 42.317 0.300 1 341 36 36 LYS CG C 24.694 0.300 1 342 36 36 LYS N N 127.191 0.300 1 stop_ save_