data_11486 ####################### # 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 11486 _BMRB_flat_file_name bmr11486.str _Entry_type original _Submission_date 2012-03-07 _Accession_date 2012-03-08 _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" 148 "15N chemical shifts" 28 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-12 original author . stop_ _Original_release_date 2013-03-12 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 entity_1 $entity_1 '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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 4078.767 _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; GSSGSSGEKFACDYCSFTCL SKGHLKVHIERVHKKIK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 LYS 10 PHE 11 ALA 12 CYS 13 ASP 14 TYR 15 CYS 16 SER 17 PHE 18 THR 19 CYS 20 LEU 21 SER 22 LYS 23 GLY 24 HIS 25 LEU 26 LYS 27 VAL 28 HIS 29 ILE 30 GLU 31 ARG 32 VAL 33 HIS 34 LYS 35 LYS 36 ILE 37 LYS 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 2RSH "Solution Structures Of The Dna-binding Domains Of Immune-related Zinc- Finger Protein Zfat" 100.00 37 100.00 100.00 2.33e-16 PDB 2RUV "Solution Structures Of The Dna-binding Domain (zf4) Of Immune-related Zinc-finger Protein Zfat" 100.00 37 100.00 100.00 2.33e-16 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 $entity_1 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 $entity_1 'recombinant technology' 'E. coli' Escherichia coli . P061010-09 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 $entity_1 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 900 _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 entity_1 _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 4.480 0.030 1 2 6 6 SER HB2 H 3.898 0.030 1 3 6 6 SER HB3 H 3.898 0.030 1 4 6 6 SER C C 174.944 0.300 1 5 6 6 SER CA C 58.621 0.300 1 6 6 6 SER CB C 63.856 0.300 1 7 7 7 GLY H H 8.364 0.030 1 8 7 7 GLY HA2 H 3.927 0.030 1 9 7 7 GLY HA3 H 3.927 0.030 1 10 7 7 GLY C C 173.655 0.300 1 11 7 7 GLY CA C 45.244 0.300 1 12 7 7 GLY N N 110.726 0.300 1 13 8 8 GLU H H 8.155 0.030 1 14 8 8 GLU HA H 4.097 0.030 1 15 8 8 GLU HB2 H 1.795 0.030 1 16 8 8 GLU HB3 H 1.795 0.030 1 17 8 8 GLU HG2 H 2.076 0.030 2 18 8 8 GLU HG3 H 1.940 0.030 2 19 8 8 GLU C C 175.103 0.300 1 20 8 8 GLU CA C 56.445 0.300 1 21 8 8 GLU CB C 30.507 0.300 1 22 8 8 GLU CG C 36.175 0.300 1 23 8 8 GLU N N 121.148 0.300 1 24 9 9 LYS H H 7.863 0.030 1 25 9 9 LYS HA H 4.384 0.030 1 26 9 9 LYS HB2 H 1.553 0.030 1 27 9 9 LYS HB3 H 1.553 0.030 1 28 9 9 LYS HG2 H 1.284 0.030 2 29 9 9 LYS HG3 H 1.160 0.030 2 30 9 9 LYS HD2 H 1.527 0.030 2 31 9 9 LYS HE2 H 2.842 0.030 2 32 9 9 LYS C C 175.305 0.300 1 33 9 9 LYS CA C 55.451 0.300 1 34 9 9 LYS CB C 34.258 0.300 1 35 9 9 LYS CG C 24.776 0.300 1 36 9 9 LYS CD C 29.033 0.300 1 37 9 9 LYS CE C 42.032 0.300 1 38 9 9 LYS N N 120.384 0.300 1 39 10 10 PHE H H 8.563 0.030 1 40 10 10 PHE HA H 4.506 0.030 1 41 10 10 PHE HB2 H 2.847 0.030 2 42 10 10 PHE HB3 H 2.808 0.030 2 43 10 10 PHE HD1 H 7.032 0.030 1 44 10 10 PHE HD2 H 7.032 0.030 1 45 10 10 PHE HE1 H 7.264 0.030 1 46 10 10 PHE HE2 H 7.264 0.030 1 47 10 10 PHE HZ H 7.273 0.030 1 48 10 10 PHE C C 173.795 0.300 1 49 10 10 PHE CA C 57.761 0.300 1 50 10 10 PHE CB C 40.541 0.300 1 51 10 10 PHE CD1 C 131.361 0.300 1 52 10 10 PHE CD2 C 131.361 0.300 1 53 10 10 PHE CE1 C 131.347 0.300 1 54 10 10 PHE CE2 C 131.347 0.300 1 55 10 10 PHE CZ C 129.530 0.300 1 56 10 10 PHE N N 121.699 0.300 1 57 11 11 ALA H H 8.577 0.030 1 58 11 11 ALA HA H 4.888 0.030 1 59 11 11 ALA HB H 1.347 0.030 1 60 11 11 ALA C C 175.876 0.300 1 61 11 11 ALA CA C 50.680 0.300 1 62 11 11 ALA CB C 21.436 0.300 1 63 11 11 ALA N N 125.504 0.300 1 64 12 12 CYS H H 8.394 0.030 1 65 12 12 CYS HA H 4.242 0.030 1 66 12 12 CYS HB2 H 3.446 0.030 2 67 12 12 CYS HB3 H 2.789 0.030 2 68 12 12 CYS C C 175.250 0.300 1 69 12 12 CYS CA C 60.647 0.300 1 70 12 12 CYS CB C 30.504 0.300 1 71 12 12 CYS N N 125.228 0.300 1 72 13 13 ASP H H 8.176 0.030 1 73 13 13 ASP HA H 4.416 0.030 1 74 13 13 ASP HB2 H 2.175 0.030 2 75 13 13 ASP HB3 H 1.566 0.030 2 76 13 13 ASP C C 176.647 0.300 1 77 13 13 ASP CA C 55.946 0.300 1 78 13 13 ASP CB C 41.156 0.300 1 79 13 13 ASP N N 125.656 0.300 1 80 14 14 TYR H H 9.824 0.030 1 81 14 14 TYR HA H 4.505 0.030 1 82 14 14 TYR HB2 H 2.634 0.030 2 83 14 14 TYR HB3 H 1.305 0.030 2 84 14 14 TYR HD1 H 6.908 0.030 1 85 14 14 TYR HD2 H 6.908 0.030 1 86 14 14 TYR HE1 H 6.802 0.030 1 87 14 14 TYR HE2 H 6.802 0.030 1 88 14 14 TYR C C 174.943 0.300 1 89 14 14 TYR CA C 57.720 0.300 1 90 14 14 TYR CB C 38.238 0.300 1 91 14 14 TYR CD1 C 132.814 0.300 1 92 14 14 TYR CD2 C 132.814 0.300 1 93 14 14 TYR CE1 C 118.108 0.300 1 94 14 14 TYR CE2 C 118.108 0.300 1 95 14 14 TYR N N 120.666 0.300 1 96 15 15 CYS H H 7.990 0.030 1 97 15 15 CYS HA H 5.004 0.030 1 98 15 15 CYS HB2 H 3.472 0.030 2 99 15 15 CYS HB3 H 3.346 0.030 2 100 15 15 CYS C C 173.430 0.300 1 101 15 15 CYS CA C 58.601 0.300 1 102 15 15 CYS CB C 30.147 0.300 1 103 15 15 CYS N N 119.744 0.300 1 104 16 16 SER H H 8.133 0.030 1 105 16 16 SER HA H 4.547 0.030 1 106 16 16 SER HB2 H 4.140 0.030 2 107 16 16 SER HB3 H 3.950 0.030 2 108 16 16 SER C C 174.025 0.300 1 109 16 16 SER CA C 59.653 0.300 1 110 16 16 SER CB C 63.685 0.300 1 111 16 16 SER N N 111.535 0.300 1 112 17 17 PHE H H 9.210 0.030 1 113 17 17 PHE HA H 4.297 0.030 1 114 17 17 PHE HB2 H 3.016 0.030 2 115 17 17 PHE HB3 H 2.268 0.030 2 116 17 17 PHE HD1 H 6.655 0.030 1 117 17 17 PHE HD2 H 6.655 0.030 1 118 17 17 PHE HE1 H 7.185 0.030 1 119 17 17 PHE HE2 H 7.185 0.030 1 120 17 17 PHE HZ H 6.972 0.030 1 121 17 17 PHE C C 174.548 0.300 1 122 17 17 PHE CA C 60.553 0.300 1 123 17 17 PHE CB C 41.329 0.300 1 124 17 17 PHE CD1 C 131.221 0.300 1 125 17 17 PHE CD2 C 131.221 0.300 1 126 17 17 PHE CE1 C 130.347 0.300 1 127 17 17 PHE CE2 C 130.347 0.300 1 128 17 17 PHE CZ C 129.440 0.300 1 129 17 17 PHE N N 127.947 0.300 1 130 18 18 THR H H 7.139 0.030 1 131 18 18 THR HA H 4.965 0.030 1 132 18 18 THR HB H 3.912 0.030 1 133 18 18 THR HG2 H 1.119 0.030 1 134 18 18 THR C C 171.853 0.300 1 135 18 18 THR CA C 59.240 0.300 1 136 18 18 THR CB C 72.594 0.300 1 137 18 18 THR CG2 C 21.452 0.300 1 138 18 18 THR N N 117.981 0.300 1 139 19 19 CYS H H 8.648 0.030 1 140 19 19 CYS HA H 4.802 0.030 1 141 19 19 CYS HB2 H 2.821 0.030 2 142 19 19 CYS HB3 H 3.200 0.030 2 143 19 19 CYS C C 173.604 0.300 1 144 19 19 CYS CA C 56.705 0.300 1 145 19 19 CYS CB C 30.516 0.300 1 146 19 19 CYS N N 113.707 0.300 1 147 20 20 LEU HA H 4.846 0.030 1 148 20 20 LEU HB2 H 1.838 0.030 2 149 20 20 LEU HB3 H 1.700 0.030 2 150 20 20 LEU HG H 1.626 0.030 1 151 20 20 LEU HD1 H 0.913 0.030 1 152 20 20 LEU HD2 H 0.837 0.030 1 153 20 20 LEU C C 176.970 0.300 1 154 20 20 LEU CA C 55.422 0.300 1 155 20 20 LEU CB C 42.968 0.300 1 156 20 20 LEU CG C 27.155 0.300 1 157 20 20 LEU CD1 C 25.236 0.300 2 158 20 20 LEU CD2 C 23.145 0.300 2 159 21 21 SER H H 7.570 0.030 1 160 21 21 SER HA H 4.620 0.030 1 161 21 21 SER HB2 H 3.880 0.030 2 162 21 21 SER HB3 H 3.674 0.030 2 163 21 21 SER C C 173.710 0.300 1 164 21 21 SER CA C 56.691 0.300 1 165 21 21 SER CB C 65.870 0.300 1 166 21 21 SER N N 112.185 0.300 1 167 22 22 LYS H H 8.552 0.030 1 168 22 22 LYS HA H 3.220 0.030 1 169 22 22 LYS HB2 H 1.509 0.030 2 170 22 22 LYS HB3 H 1.411 0.030 2 171 22 22 LYS HG2 H 1.075 0.030 1 172 22 22 LYS HG3 H 1.075 0.030 1 173 22 22 LYS HD2 H 1.584 0.030 2 174 22 22 LYS HE2 H 2.934 0.030 2 175 22 22 LYS C C 179.263 0.300 1 176 22 22 LYS CA C 59.128 0.300 1 177 22 22 LYS CB C 31.979 0.300 1 178 22 22 LYS CG C 25.162 0.300 1 179 22 22 LYS CE C 42.083 0.300 1 180 22 22 LYS N N 125.705 0.300 1 181 23 23 GLY HA2 H 3.839 0.030 2 182 23 23 GLY HA3 H 3.775 0.030 2 183 23 23 GLY C C 176.736 0.300 1 184 23 23 GLY CA C 47.011 0.300 1 185 24 24 HIS H H 7.662 0.030 1 186 24 24 HIS HA H 4.531 0.030 1 187 24 24 HIS HB2 H 3.294 0.030 1 188 24 24 HIS HB3 H 3.294 0.030 1 189 24 24 HIS HD2 H 7.082 0.030 1 190 24 24 HIS C C 178.436 0.300 1 191 24 24 HIS CA C 58.330 0.300 1 192 24 24 HIS CB C 31.660 0.300 1 193 24 24 HIS CD2 C 117.362 0.300 1 194 24 24 HIS N N 121.219 0.300 1 195 25 25 LEU H H 7.716 0.030 1 196 25 25 LEU HA H 4.348 0.030 1 197 25 25 LEU HB2 H 2.074 0.030 2 198 25 25 LEU HB3 H 1.373 0.030 2 199 25 25 LEU HG H 1.826 0.030 1 200 25 25 LEU HD1 H 1.070 0.030 1 201 25 25 LEU HD2 H 1.011 0.030 1 202 25 25 LEU C C 177.529 0.300 1 203 25 25 LEU CA C 58.081 0.300 1 204 25 25 LEU CB C 41.338 0.300 1 205 25 25 LEU CG C 26.829 0.300 1 206 25 25 LEU CD1 C 22.368 0.300 2 207 25 25 LEU CD2 C 26.380 0.300 2 208 25 25 LEU N N 123.617 0.300 1 209 26 26 LYS H H 7.954 0.030 1 210 26 26 LYS HA H 3.993 0.030 1 211 26 26 LYS HB2 H 1.968 0.030 1 212 26 26 LYS HB3 H 1.968 0.030 1 213 26 26 LYS HG2 H 1.395 0.030 2 214 26 26 LYS HG3 H 1.548 0.030 2 215 26 26 LYS HD2 H 1.677 0.030 2 216 26 26 LYS HE2 H 2.974 0.030 2 217 26 26 LYS C C 178.928 0.300 1 218 26 26 LYS CA C 60.149 0.300 1 219 26 26 LYS CB C 32.579 0.300 1 220 26 26 LYS CG C 24.889 0.300 1 221 26 26 LYS CD C 29.632 0.300 1 222 26 26 LYS CE C 42.135 0.300 1 223 26 26 LYS N N 119.326 0.300 1 224 27 27 VAL H H 7.422 0.030 1 225 27 27 VAL HA H 3.779 0.030 1 226 27 27 VAL HB H 2.103 0.030 1 227 27 27 VAL HG1 H 1.083 0.030 1 228 27 27 VAL HG2 H 0.956 0.030 1 229 27 27 VAL C C 177.531 0.300 1 230 27 27 VAL CA C 66.038 0.300 1 231 27 27 VAL CB C 31.985 0.300 1 232 27 27 VAL CG1 C 22.609 0.300 2 233 27 27 VAL CG2 C 21.039 0.300 2 234 27 27 VAL N N 117.699 0.300 1 235 28 28 HIS H H 7.794 0.030 1 236 28 28 HIS HA H 4.038 0.030 1 237 28 28 HIS HB2 H 3.443 0.030 2 238 28 28 HIS HB3 H 2.579 0.030 2 239 28 28 HIS HD2 H 7.129 0.030 1 240 28 28 HIS HE1 H 7.479 0.030 1 241 28 28 HIS C C 176.516 0.300 1 242 28 28 HIS CA C 59.942 0.300 1 243 28 28 HIS CB C 28.097 0.300 1 244 28 28 HIS CD2 C 127.189 0.300 1 245 28 28 HIS CE1 C 138.522 0.300 1 246 28 28 HIS N N 119.139 0.300 1 247 29 29 ILE H H 8.712 0.030 1 248 29 29 ILE HA H 3.463 0.030 1 249 29 29 ILE HB H 2.033 0.030 1 250 29 29 ILE HG12 H 2.309 0.030 2 251 29 29 ILE HG13 H 1.578 0.030 2 252 29 29 ILE HG2 H 1.071 0.030 1 253 29 29 ILE HD1 H 1.206 0.030 1 254 29 29 ILE C C 178.571 0.300 1 255 29 29 ILE CA C 66.723 0.300 1 256 29 29 ILE CB C 38.385 0.300 1 257 29 29 ILE CG1 C 31.106 0.300 1 258 29 29 ILE CG2 C 18.091 0.300 1 259 29 29 ILE CD1 C 14.461 0.300 1 260 29 29 ILE N N 118.845 0.300 1 261 30 30 GLU H H 7.936 0.030 1 262 30 30 GLU HA H 3.914 0.030 1 263 30 30 GLU HB2 H 2.122 0.030 2 264 30 30 GLU HB3 H 1.989 0.030 2 265 30 30 GLU HG2 H 2.429 0.030 2 266 30 30 GLU HG3 H 2.205 0.030 2 267 30 30 GLU C C 178.088 0.300 1 268 30 30 GLU CA C 59.263 0.300 1 269 30 30 GLU CB C 29.763 0.300 1 270 30 30 GLU CG C 36.510 0.300 1 271 30 30 GLU N N 118.270 0.300 1 272 31 31 ARG H H 8.200 0.030 1 273 31 31 ARG HA H 4.064 0.030 1 274 31 31 ARG HB2 H 1.805 0.030 2 275 31 31 ARG HB3 H 1.708 0.030 2 276 31 31 ARG HG2 H 1.545 0.030 2 277 31 31 ARG HG3 H 1.757 0.030 2 278 31 31 ARG HD2 H 3.067 0.030 1 279 31 31 ARG HD3 H 3.067 0.030 1 280 31 31 ARG C C 176.420 0.300 1 281 31 31 ARG CA C 58.513 0.300 1 282 31 31 ARG CB C 31.127 0.300 1 283 31 31 ARG CG C 27.656 0.300 1 284 31 31 ARG CD C 43.374 0.300 1 285 31 31 ARG N N 116.068 0.300 1 286 32 32 VAL HA H 3.647 0.030 1 287 32 32 VAL HB H 0.697 0.030 1 288 32 32 VAL HG1 H 0.487 0.030 1 289 32 32 VAL HG2 H 0.201 0.030 1 290 32 32 VAL C C 176.440 0.300 1 291 32 32 VAL CA C 64.282 0.300 1 292 32 32 VAL CB C 32.330 0.300 1 293 32 32 VAL CG1 C 22.388 0.300 2 294 32 32 VAL CG2 C 21.028 0.300 2 295 33 33 HIS H H 7.153 0.030 1 296 33 33 HIS HA H 4.840 0.030 1 297 33 33 HIS HB2 H 2.998 0.030 2 298 33 33 HIS HB3 H 2.810 0.030 2 299 33 33 HIS HD2 H 6.629 0.030 1 300 33 33 HIS HE1 H 7.916 0.030 1 301 33 33 HIS C C 174.467 0.300 1 302 33 33 HIS CA C 54.384 0.300 1 303 33 33 HIS CB C 28.387 0.300 1 304 33 33 HIS CD2 C 127.705 0.300 1 305 33 33 HIS CE1 C 139.965 0.300 1 306 33 33 HIS N N 115.363 0.300 1 307 34 34 LYS H H 7.392 0.030 1 308 34 34 LYS HA H 4.187 0.030 1 309 34 34 LYS HB2 H 1.840 0.030 1 310 34 34 LYS HB3 H 1.840 0.030 1 311 34 34 LYS HG2 H 1.308 0.030 2 312 34 34 LYS HG3 H 1.270 0.030 2 313 34 34 LYS HD2 H 1.607 0.030 1 314 34 34 LYS HD3 H 1.607 0.030 1 315 34 34 LYS HE2 H 2.933 0.030 2 316 34 34 LYS C C 176.059 0.300 1 317 34 34 LYS CA C 56.736 0.300 1 318 34 34 LYS CB C 31.547 0.300 1 319 34 34 LYS CG C 24.748 0.300 1 320 34 34 LYS CD C 29.090 0.300 1 321 34 34 LYS CE C 42.299 0.300 1 322 34 34 LYS N N 118.280 0.300 1 323 35 35 LYS H H 7.760 0.030 1 324 35 35 LYS HA H 4.333 0.030 1 325 35 35 LYS HB2 H 1.752 0.030 2 326 35 35 LYS HB3 H 1.596 0.030 2 327 35 35 LYS HG2 H 1.253 0.030 2 328 35 35 LYS HD2 H 1.502 0.030 2 329 35 35 LYS HE2 H 2.854 0.030 2 330 35 35 LYS C C 176.014 0.300 1 331 35 35 LYS CA C 55.706 0.300 1 332 35 35 LYS CB C 33.056 0.300 1 333 35 35 LYS CG C 24.627 0.300 1 334 35 35 LYS CD C 29.128 0.300 1 335 35 35 LYS CE C 42.107 0.300 1 336 35 35 LYS N N 119.974 0.300 1 337 36 36 ILE H H 8.127 0.030 1 338 36 36 ILE HA H 4.122 0.030 1 339 36 36 ILE HB H 1.823 0.030 1 340 36 36 ILE HG12 H 1.352 0.030 2 341 36 36 ILE HG13 H 1.094 0.030 2 342 36 36 ILE HG2 H 0.833 0.030 1 343 36 36 ILE HD1 H 0.763 0.030 1 344 36 36 ILE C C 175.298 0.300 1 345 36 36 ILE CA C 61.106 0.300 1 346 36 36 ILE CB C 38.721 0.300 1 347 36 36 ILE CG1 C 27.107 0.300 1 348 36 36 ILE CG2 C 17.579 0.300 1 349 36 36 ILE CD1 C 12.830 0.300 1 350 36 36 ILE N N 121.573 0.300 1 351 37 37 LYS H H 7.853 0.030 1 352 37 37 LYS HA H 4.133 0.030 1 353 37 37 LYS HB2 H 1.695 0.030 2 354 37 37 LYS HB3 H 1.773 0.030 2 355 37 37 LYS C C 180.867 0.300 1 356 37 37 LYS CA C 57.646 0.300 1 357 37 37 LYS CB C 33.811 0.300 1 358 37 37 LYS N N 129.418 0.300 1 stop_ save_