data_11482 ####################### # 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 11482 _BMRB_flat_file_name bmr11482.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" 182 "13C chemical shifts" 134 "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 ; GSSGSSGKPFKCSLCEYATR SKSNLKAHMNRHSTEK ; 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 LYS 9 9 PRO 10 10 PHE 11 11 LYS 12 12 CYS 13 13 SER 14 14 LEU 15 15 CYS 16 16 GLU 17 17 TYR 18 18 ALA 19 19 THR 20 20 ARG 21 21 SER 22 22 LYS 23 23 SER 24 24 ASN 25 25 LEU 26 26 LYS 27 27 ALA 28 28 HIS 29 29 MET 30 30 ASN 31 31 ARG 32 32 HIS 33 33 SER 34 34 THR 35 35 GLU 36 36 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-11 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 2ELQ "Solution Structure Of The 14th C2h2 Zinc Finger Of Human Zinc Finger Protein 406" 100.00 36 100.00 100.00 1.03e-15 PDB 2RV2 "Solution Structures Of The Dna-binding Domain (zf14) Of Immune-related Zinc-finger Protein Zfat" 100.00 36 100.00 100.00 1.03e-15 GB ELK38127 "Zinc finger protein ZFAT, partial [Myotis davidii]" 80.56 753 100.00 100.00 5.89e-10 GB ETE61776 "Zinc finger protein ZFAT, partial [Ophiophagus hannah]" 80.56 258 100.00 100.00 2.90e-10 REF XP_002805543 "PREDICTED: zinc finger protein ZFAT-like [Macaca mulatta]" 80.56 187 100.00 100.00 1.40e-10 REF XP_006753352 "PREDICTED: LOW QUALITY PROTEIN: zinc finger protein ZFAT [Myotis davidii]" 80.56 953 100.00 100.00 1.19e-09 REF XP_007661864 "PREDICTED: LOW QUALITY PROTEIN: zinc finger protein ZFAT [Ornithorhynchus anatinus]" 80.56 1206 100.00 100.00 1.18e-09 REF XP_008154833 "PREDICTED: zinc finger protein ZFAT isoform X1 [Eptesicus fuscus]" 80.56 1219 100.00 100.00 1.11e-09 REF XP_008154834 "PREDICTED: zinc finger protein ZFAT isoform X2 [Eptesicus fuscus]" 80.56 1151 100.00 100.00 1.18e-09 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 . P060718-08 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 1.15 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 3.885 0.030 1 2 7 7 GLY HA3 H 3.885 0.030 1 3 7 7 GLY C C 173.595 0.300 1 4 7 7 GLY CA C 45.114 0.300 1 5 8 8 LYS H H 7.987 0.030 1 6 8 8 LYS HA H 4.415 0.030 1 7 8 8 LYS HB2 H 1.493 0.030 1 8 8 8 LYS HB3 H 1.493 0.030 1 9 8 8 LYS HD2 H 1.508 0.030 1 10 8 8 LYS HD3 H 1.508 0.030 1 11 8 8 LYS HE2 H 2.910 0.030 1 12 8 8 LYS HE3 H 2.910 0.030 1 13 8 8 LYS HG2 H 1.192 0.030 2 14 8 8 LYS HG3 H 1.333 0.030 2 15 8 8 LYS C C 174.306 0.300 1 16 8 8 LYS CA C 53.868 0.300 1 17 8 8 LYS CB C 32.760 0.300 1 18 8 8 LYS CD C 29.386 0.300 1 19 8 8 LYS CE C 42.202 0.300 1 20 8 8 LYS CG C 24.830 0.300 1 21 8 8 LYS N N 121.035 0.300 1 22 9 9 PRO HA H 4.060 0.030 1 23 9 9 PRO HB2 H 1.883 0.030 2 24 9 9 PRO HB3 H 1.335 0.030 2 25 9 9 PRO HD2 H 3.597 0.030 2 26 9 9 PRO HD3 H 3.461 0.030 2 27 9 9 PRO HG2 H 1.599 0.030 2 28 9 9 PRO HG3 H 1.763 0.030 2 29 9 9 PRO C C 176.098 0.300 1 30 9 9 PRO CA C 63.191 0.300 1 31 9 9 PRO CB C 31.987 0.300 1 32 9 9 PRO CD C 50.426 0.300 1 33 9 9 PRO CG C 26.760 0.300 1 34 10 10 PHE H H 8.036 0.030 1 35 10 10 PHE HA H 4.661 0.030 1 36 10 10 PHE HB2 H 3.032 0.030 2 37 10 10 PHE HB3 H 2.906 0.030 2 38 10 10 PHE HD1 H 7.116 0.030 1 39 10 10 PHE HD2 H 7.116 0.030 1 40 10 10 PHE HE1 H 7.354 0.030 1 41 10 10 PHE HE2 H 7.354 0.030 1 42 10 10 PHE HZ H 7.349 0.030 1 43 10 10 PHE C C 174.001 0.300 1 44 10 10 PHE CA C 57.263 0.300 1 45 10 10 PHE CB C 38.998 0.300 1 46 10 10 PHE CD1 C 131.603 0.300 1 47 10 10 PHE CD2 C 131.603 0.300 1 48 10 10 PHE CE1 C 131.565 0.300 1 49 10 10 PHE CE2 C 131.565 0.300 1 50 10 10 PHE CZ C 129.833 0.300 1 51 10 10 PHE N N 119.614 0.300 1 52 11 11 LYS H H 8.425 0.030 1 53 11 11 LYS HA H 4.880 0.030 1 54 11 11 LYS HB2 H 1.865 0.030 2 55 11 11 LYS HB3 H 1.609 0.030 2 56 11 11 LYS HD2 H 1.706 0.030 2 57 11 11 LYS HD3 H 1.560 0.030 2 58 11 11 LYS HE2 H 2.947 0.030 1 59 11 11 LYS HE3 H 2.947 0.030 1 60 11 11 LYS HG2 H 1.510 0.030 2 61 11 11 LYS HG3 H 1.356 0.030 2 62 11 11 LYS C C 175.757 0.300 1 63 11 11 LYS CA C 54.656 0.300 1 64 11 11 LYS CB C 35.004 0.300 1 65 11 11 LYS CD C 28.934 0.300 1 66 11 11 LYS CE C 42.156 0.300 1 67 11 11 LYS CG C 24.366 0.300 1 68 11 11 LYS N N 123.646 0.300 1 69 12 12 CYS H H 8.836 0.030 1 70 12 12 CYS HA H 4.320 0.030 1 71 12 12 CYS HB2 H 3.410 0.030 2 72 12 12 CYS HB3 H 2.757 0.030 2 73 12 12 CYS C C 175.055 0.300 1 74 12 12 CYS CA C 60.621 0.300 1 75 12 12 CYS CB C 30.105 0.300 1 76 12 12 CYS N N 128.280 0.300 1 77 13 13 SER H H 8.206 0.030 1 78 13 13 SER HA H 4.482 0.030 1 79 13 13 SER HB2 H 3.989 0.030 1 80 13 13 SER HB3 H 3.989 0.030 1 81 13 13 SER C C 175.085 0.300 1 82 13 13 SER CA C 59.841 0.300 1 83 13 13 SER CB C 63.524 0.300 1 84 13 13 SER N N 121.217 0.300 1 85 14 14 LEU H H 9.959 0.030 1 86 14 14 LEU HA H 4.439 0.030 1 87 14 14 LEU HB2 H 0.990 0.030 2 88 14 14 LEU HB3 H 0.756 0.030 2 89 14 14 LEU HD1 H 0.499 0.030 1 90 14 14 LEU HD2 H 0.682 0.030 1 91 14 14 LEU HG H 1.388 0.030 1 92 14 14 LEU C C 176.249 0.300 1 93 14 14 LEU CA C 55.510 0.300 1 94 14 14 LEU CB C 43.562 0.300 1 95 14 14 LEU CD1 C 25.120 0.300 2 96 14 14 LEU CD2 C 22.622 0.300 2 97 14 14 LEU CG C 26.555 0.300 1 98 14 14 LEU N N 126.130 0.300 1 99 15 15 CYS H H 8.060 0.030 1 100 15 15 CYS HA H 4.990 0.030 1 101 15 15 CYS HB2 H 3.365 0.030 2 102 15 15 CYS HB3 H 3.161 0.030 2 103 15 15 CYS C C 173.219 0.300 1 104 15 15 CYS CA C 58.353 0.300 1 105 15 15 CYS CB C 30.050 0.300 1 106 15 15 CYS N N 121.432 0.300 1 107 16 16 GLU H H 8.383 0.030 1 108 16 16 GLU HA H 4.302 0.030 1 109 16 16 GLU HB2 H 2.209 0.030 2 110 16 16 GLU HB3 H 2.017 0.030 2 111 16 16 GLU HG2 H 2.331 0.030 2 112 16 16 GLU HG3 H 2.266 0.030 2 113 16 16 GLU C C 175.835 0.300 1 114 16 16 GLU CA C 57.130 0.300 1 115 16 16 GLU CB C 29.206 0.300 1 116 16 16 GLU CG C 36.207 0.300 1 117 16 16 GLU N N 115.201 0.300 1 118 17 17 TYR H H 8.910 0.030 1 119 17 17 TYR HA H 4.032 0.030 1 120 17 17 TYR HB2 H 2.815 0.030 2 121 17 17 TYR HB3 H 2.055 0.030 2 122 17 17 TYR HD1 H 6.463 0.030 1 123 17 17 TYR HD2 H 6.463 0.030 1 124 17 17 TYR HE1 H 6.476 0.030 1 125 17 17 TYR HE2 H 6.476 0.030 1 126 17 17 TYR C C 172.579 0.300 1 127 17 17 TYR CA C 60.695 0.300 1 128 17 17 TYR CB C 40.241 0.300 1 129 17 17 TYR CD1 C 132.217 0.300 1 130 17 17 TYR CD2 C 132.217 0.300 1 131 17 17 TYR CE1 C 117.034 0.300 1 132 17 17 TYR CE2 C 117.034 0.300 1 133 17 17 TYR N N 126.629 0.300 1 134 18 18 ALA H H 7.046 0.030 1 135 18 18 ALA HA H 5.011 0.030 1 136 18 18 ALA HB H 1.113 0.030 1 137 18 18 ALA C C 174.971 0.300 1 138 18 18 ALA CA C 50.135 0.300 1 139 18 18 ALA CB C 22.571 0.300 1 140 18 18 ALA N N 127.754 0.300 1 141 19 19 THR H H 8.649 0.030 1 142 19 19 THR HA H 4.591 0.030 1 143 19 19 THR HB H 3.986 0.030 1 144 19 19 THR HG2 H 1.234 0.030 1 145 19 19 THR C C 172.064 0.300 1 146 19 19 THR CA C 59.427 0.300 1 147 19 19 THR CB C 68.778 0.300 1 148 19 19 THR CG2 C 20.676 0.300 1 149 19 19 THR N N 114.104 0.300 1 150 20 20 ARG HA H 4.553 0.030 1 151 20 20 ARG HB2 H 2.050 0.030 2 152 20 20 ARG HB3 H 1.789 0.030 2 153 20 20 ARG HD2 H 3.170 0.030 1 154 20 20 ARG HD3 H 3.170 0.030 1 155 20 20 ARG HG2 H 1.654 0.030 2 156 20 20 ARG HG3 H 1.545 0.030 2 157 20 20 ARG C C 175.631 0.300 1 158 20 20 ARG CA C 56.814 0.300 1 159 20 20 ARG CB C 30.517 0.300 1 160 20 20 ARG CD C 43.136 0.300 1 161 20 20 ARG CG C 28.249 0.300 1 162 21 21 SER H H 8.243 0.030 1 163 21 21 SER HA H 4.965 0.030 1 164 21 21 SER HB2 H 3.943 0.030 2 165 21 21 SER HB3 H 3.731 0.030 2 166 21 21 SER C C 174.374 0.300 1 167 21 21 SER CA C 55.290 0.300 1 168 21 21 SER CB C 64.038 0.300 1 169 21 21 SER N N 114.919 0.300 1 170 22 22 LYS H H 8.947 0.030 1 171 22 22 LYS HA H 3.230 0.030 1 172 22 22 LYS HB2 H 1.526 0.030 2 173 22 22 LYS HB3 H 1.394 0.030 2 174 22 22 LYS HD2 H 1.491 0.030 2 175 22 22 LYS HD3 H 1.451 0.030 2 176 22 22 LYS HE2 H 2.785 0.030 2 177 22 22 LYS HG2 H 1.016 0.030 1 178 22 22 LYS HG3 H 1.016 0.030 1 179 22 22 LYS CA C 59.640 0.300 1 180 22 22 LYS CB C 31.883 0.300 1 181 22 22 LYS CD C 29.051 0.300 1 182 22 22 LYS CE C 41.801 0.300 1 183 22 22 LYS CG C 25.070 0.300 1 184 22 22 LYS N N 130.617 0.300 1 185 23 23 SER HA H 4.119 0.030 1 186 23 23 SER HB2 H 3.819 0.030 1 187 23 23 SER HB3 H 3.819 0.030 1 188 23 23 SER C C 177.640 0.300 1 189 23 23 SER CA C 61.205 0.300 1 190 23 23 SER CB C 61.794 0.300 1 191 24 24 ASN H H 7.977 0.030 1 192 24 24 ASN HA H 4.512 0.030 1 193 24 24 ASN HB2 H 3.147 0.030 1 194 24 24 ASN HB3 H 3.147 0.030 1 195 24 24 ASN C C 178.360 0.300 1 196 24 24 ASN CA C 55.820 0.300 1 197 24 24 ASN CB C 37.659 0.300 1 198 24 24 ASN N N 123.779 0.300 1 199 25 25 LEU H H 7.978 0.030 1 200 25 25 LEU HA H 4.252 0.030 1 201 25 25 LEU HB2 H 1.995 0.030 2 202 25 25 LEU HB3 H 1.375 0.030 2 203 25 25 LEU HD1 H 0.965 0.030 1 204 25 25 LEU HD2 H 0.925 0.030 1 205 25 25 LEU HG H 1.728 0.030 1 206 25 25 LEU C C 177.728 0.300 1 207 25 25 LEU CA C 58.097 0.300 1 208 25 25 LEU CB C 40.488 0.300 1 209 25 25 LEU CD1 C 22.480 0.300 2 210 25 25 LEU CD2 C 25.969 0.300 2 211 25 25 LEU CG C 26.778 0.300 1 212 25 25 LEU N N 122.519 0.300 1 213 26 26 LYS H H 7.986 0.030 1 214 26 26 LYS HA H 3.963 0.030 1 215 26 26 LYS HB2 H 1.886 0.030 1 216 26 26 LYS HB3 H 1.886 0.030 1 217 26 26 LYS HD2 H 1.665 0.030 1 218 26 26 LYS HD3 H 1.665 0.030 1 219 26 26 LYS HE2 H 2.942 0.030 1 220 26 26 LYS HE3 H 2.942 0.030 1 221 26 26 LYS HG2 H 1.481 0.030 2 222 26 26 LYS HG3 H 1.375 0.030 2 223 26 26 LYS C C 178.954 0.300 1 224 26 26 LYS CA C 59.705 0.300 1 225 26 26 LYS CB C 31.968 0.300 1 226 26 26 LYS CD C 29.182 0.300 1 227 26 26 LYS CE C 42.069 0.300 1 228 26 26 LYS CG C 24.713 0.300 1 229 26 26 LYS N N 119.676 0.300 1 230 27 27 ALA H H 7.612 0.030 1 231 27 27 ALA HA H 4.107 0.030 1 232 27 27 ALA HB H 1.481 0.030 1 233 27 27 ALA C C 180.386 0.300 1 234 27 27 ALA CA C 54.833 0.300 1 235 27 27 ALA CB C 17.940 0.300 1 236 27 27 ALA N N 120.525 0.300 1 237 28 28 HIS H H 8.153 0.030 1 238 28 28 HIS HA H 3.872 0.030 1 239 28 28 HIS HB2 H 3.450 0.030 2 240 28 28 HIS HB3 H 2.656 0.030 2 241 28 28 HIS HD2 H 7.163 0.030 1 242 28 28 HIS HE1 H 7.379 0.030 1 243 28 28 HIS C C 177.210 0.300 1 244 28 28 HIS CA C 59.691 0.300 1 245 28 28 HIS CB C 27.876 0.300 1 246 28 28 HIS CD2 C 127.047 0.300 1 247 28 28 HIS CE1 C 138.519 0.300 1 248 28 28 HIS N N 119.170 0.300 1 249 29 29 MET H H 8.515 0.030 1 250 29 29 MET HA H 4.233 0.030 1 251 29 29 MET HB2 H 2.250 0.030 1 252 29 29 MET HB3 H 2.250 0.030 1 253 29 29 MET HE H 2.177 0.030 1 254 29 29 MET HG2 H 3.077 0.030 2 255 29 29 MET HG3 H 2.942 0.030 2 256 29 29 MET C C 179.541 0.300 1 257 29 29 MET CA C 57.573 0.300 1 258 29 29 MET CB C 29.730 0.300 1 259 29 29 MET CE C 15.663 0.300 1 260 29 29 MET CG C 31.590 0.300 1 261 29 29 MET N N 116.394 0.300 1 262 30 30 ASN H H 7.764 0.030 1 263 30 30 ASN HA H 4.483 0.030 1 264 30 30 ASN HB2 H 2.821 0.030 1 265 30 30 ASN HB3 H 2.821 0.030 1 266 30 30 ASN HD21 H 6.915 0.030 2 267 30 30 ASN HD22 H 7.615 0.030 2 268 30 30 ASN C C 177.264 0.300 1 269 30 30 ASN CA C 55.659 0.300 1 270 30 30 ASN CB C 38.139 0.300 1 271 30 30 ASN N N 118.581 0.300 1 272 30 30 ASN ND2 N 112.649 0.300 1 273 31 31 ARG H H 7.736 0.030 1 274 31 31 ARG HA H 4.060 0.030 1 275 31 31 ARG HB2 H 1.560 0.030 2 276 31 31 ARG HB3 H 1.474 0.030 2 277 31 31 ARG HD2 H 2.954 0.030 1 278 31 31 ARG HD3 H 2.954 0.030 1 279 31 31 ARG HG2 H 1.403 0.030 1 280 31 31 ARG HG3 H 1.403 0.030 1 281 31 31 ARG C C 177.601 0.300 1 282 31 31 ARG CA C 57.602 0.300 1 283 31 31 ARG CB C 29.078 0.300 1 284 31 31 ARG CD C 43.149 0.300 1 285 31 31 ARG CG C 26.909 0.300 1 286 31 31 ARG N N 118.556 0.300 1 287 32 32 HIS H H 7.286 0.030 1 288 32 32 HIS HA H 4.586 0.030 1 289 32 32 HIS HB2 H 3.129 0.030 1 290 32 32 HIS HB3 H 3.129 0.030 1 291 32 32 HIS HD2 H 6.708 0.030 1 292 32 32 HIS HE1 H 7.874 0.030 1 293 32 32 HIS C C 175.700 0.300 1 294 32 32 HIS CA C 56.674 0.300 1 295 32 32 HIS CB C 28.980 0.300 1 296 32 32 HIS CD2 C 127.502 0.300 1 297 32 32 HIS CE1 C 139.691 0.300 1 298 32 32 HIS N N 116.471 0.300 1 299 33 33 SER H H 7.806 0.030 1 300 33 33 SER HA H 4.472 0.030 1 301 33 33 SER HB2 H 3.960 0.030 2 302 33 33 SER HB3 H 3.917 0.030 2 303 33 33 SER C C 174.807 0.300 1 304 33 33 SER CA C 59.075 0.300 1 305 33 33 SER CB C 63.581 0.300 1 306 33 33 SER N N 114.763 0.300 1 307 34 34 THR H H 8.029 0.030 1 308 34 34 THR HA H 4.386 0.030 1 309 34 34 THR HB H 4.295 0.030 1 310 34 34 THR HG2 H 1.183 0.030 1 311 34 34 THR C C 174.591 0.300 1 312 34 34 THR CA C 61.947 0.300 1 313 34 34 THR CB C 69.652 0.300 1 314 34 34 THR CG2 C 21.525 0.300 1 315 34 34 THR N N 114.200 0.300 1 316 35 35 GLU H H 8.146 0.030 1 317 35 35 GLU HA H 4.282 0.030 1 318 35 35 GLU HB2 H 2.053 0.030 2 319 35 35 GLU HB3 H 1.941 0.030 2 320 35 35 GLU HG2 H 2.274 0.030 1 321 35 35 GLU HG3 H 2.274 0.030 1 322 35 35 GLU C C 175.407 0.300 1 323 35 35 GLU CA C 56.649 0.300 1 324 35 35 GLU CB C 30.167 0.300 1 325 35 35 GLU CG C 36.207 0.300 1 326 35 35 GLU N N 123.431 0.300 1 327 36 36 LYS H H 7.920 0.030 1 328 36 36 LYS HA H 4.137 0.030 1 329 36 36 LYS HB2 H 1.692 0.030 2 330 36 36 LYS HB3 H 1.800 0.030 2 331 36 36 LYS HD2 H 1.651 0.030 1 332 36 36 LYS HD3 H 1.651 0.030 1 333 36 36 LYS HE2 H 2.944 0.030 1 334 36 36 LYS HE3 H 2.944 0.030 1 335 36 36 LYS HG2 H 1.366 0.030 1 336 36 36 LYS HG3 H 1.366 0.030 1 337 36 36 LYS C C 181.173 0.300 1 338 36 36 LYS CA C 57.591 0.300 1 339 36 36 LYS CB C 33.686 0.300 1 340 36 36 LYS CD C 29.135 0.300 1 341 36 36 LYS CE C 41.995 0.300 1 342 36 36 LYS CG C 24.631 0.300 1 343 36 36 LYS N N 127.205 0.300 1 stop_ save_