data_11477 ####################### # 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 11477 _BMRB_flat_file_name bmr11477.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" 192 "13C chemical shifts" 144 "15N chemical shifts" 31 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 ; GSSGSSGLLYDCHICERKFK NELDRDRHMLVHGDKW ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 LEU 10 TYR 11 ASP 12 CYS 13 HIS 14 ILE 15 CYS 16 GLU 17 ARG 18 LYS 19 PHE 20 LYS 21 ASN 22 GLU 23 LEU 24 ASP 25 ARG 26 ASP 27 ARG 28 HIS 29 MET 30 LEU 31 VAL 32 HIS 33 GLY 34 ASP 35 LYS 36 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 PDB 2ELV "Solution Structure Of The 6th C2h2 Zinc Finger Of Human Zinc Finger Protein 406" 100.00 36 100.00 100.00 7.82e-17 PDB 2RUX "Solution Structures Of The Dna-binding Domain (zf6) Of Immune-related Zinc-finger Protein Zfat" 100.00 36 100.00 100.00 7.82e-17 REF XP_013847584 "PREDICTED: zinc finger protein ZFAT-like [Sus scrofa]" 72.22 866 100.00 100.00 2.94e-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 . P060718-03 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 3.905 0.030 1 2 7 7 GLY HA3 H 3.905 0.030 1 3 7 7 GLY C C 173.643 0.300 1 4 7 7 GLY CA C 45.259 0.300 1 5 8 8 LEU H H 7.931 0.030 1 6 8 8 LEU HA H 4.229 0.030 1 7 8 8 LEU HB2 H 1.528 0.030 2 8 8 8 LEU HB3 H 1.278 0.030 2 9 8 8 LEU HD1 H 0.797 0.030 1 10 8 8 LEU HD2 H 0.729 0.030 1 11 8 8 LEU HG H 1.416 0.030 1 12 8 8 LEU C C 176.268 0.300 1 13 8 8 LEU CA C 54.876 0.300 1 14 8 8 LEU CB C 42.025 0.300 1 15 8 8 LEU CD1 C 24.949 0.300 2 16 8 8 LEU CD2 C 23.507 0.300 2 17 8 8 LEU CG C 26.643 0.300 1 18 8 8 LEU N N 121.942 0.300 1 19 9 9 LEU H H 7.780 0.030 1 20 9 9 LEU HA H 4.453 0.030 1 21 9 9 LEU HB2 H 1.437 0.030 2 22 9 9 LEU HB3 H 1.186 0.030 2 23 9 9 LEU HD1 H 0.777 0.030 1 24 9 9 LEU HD2 H 0.712 0.030 1 25 9 9 LEU HG H 1.454 0.030 1 26 9 9 LEU C C 176.229 0.300 1 27 9 9 LEU CA C 54.210 0.300 1 28 9 9 LEU CB C 44.259 0.300 1 29 9 9 LEU CD1 C 25.430 0.300 2 30 9 9 LEU CD2 C 23.291 0.300 2 31 9 9 LEU CG C 27.077 0.300 1 32 9 9 LEU N N 121.544 0.300 1 33 10 10 TYR H H 8.747 0.030 1 34 10 10 TYR HA H 4.498 0.030 1 35 10 10 TYR HB2 H 2.649 0.030 2 36 10 10 TYR HB3 H 2.565 0.030 2 37 10 10 TYR HD1 H 6.902 0.030 1 38 10 10 TYR HD2 H 6.902 0.030 1 39 10 10 TYR HE1 H 6.800 0.030 1 40 10 10 TYR HE2 H 6.800 0.030 1 41 10 10 TYR C C 175.046 0.300 1 42 10 10 TYR CA C 57.618 0.300 1 43 10 10 TYR CB C 39.563 0.300 1 44 10 10 TYR CD1 C 132.877 0.300 1 45 10 10 TYR CD2 C 132.877 0.300 1 46 10 10 TYR CE1 C 118.384 0.300 1 47 10 10 TYR CE2 C 118.384 0.300 1 48 10 10 TYR N N 119.469 0.300 1 49 11 11 ASP H H 8.808 0.030 1 50 11 11 ASP HA H 5.089 0.030 1 51 11 11 ASP HB2 H 2.574 0.030 2 52 11 11 ASP HB3 H 2.413 0.030 2 53 11 11 ASP C C 176.861 0.300 1 54 11 11 ASP CA C 53.926 0.300 1 55 11 11 ASP CB C 42.190 0.300 1 56 11 11 ASP N N 122.976 0.300 1 57 12 12 CYS H H 8.749 0.030 1 58 12 12 CYS HA H 4.495 0.030 1 59 12 12 CYS HB2 H 3.349 0.030 2 60 12 12 CYS HB3 H 2.827 0.030 2 61 12 12 CYS C C 175.839 0.300 1 62 12 12 CYS CA C 60.000 0.300 1 63 12 12 CYS CB C 29.963 0.300 1 64 12 12 CYS N N 123.522 0.300 1 65 13 13 HIS HA H 4.659 0.030 1 66 13 13 HIS HB2 H 3.189 0.030 2 67 13 13 HIS HB3 H 3.131 0.030 2 68 13 13 HIS HD2 H 6.999 0.030 1 69 13 13 HIS HE1 H 7.825 0.030 1 70 13 13 HIS C C 174.985 0.300 1 71 13 13 HIS CA C 57.683 0.300 1 72 13 13 HIS CB C 30.103 0.300 1 73 13 13 HIS CD2 C 119.302 0.300 1 74 13 13 HIS CE1 C 138.665 0.300 1 75 14 14 ILE H H 8.953 0.030 1 76 14 14 ILE HA H 3.826 0.030 1 77 14 14 ILE HB H 0.832 0.030 1 78 14 14 ILE HD1 H 0.463 0.030 1 79 14 14 ILE HG12 H 0.700 0.030 2 80 14 14 ILE HG13 H 0.606 0.030 2 81 14 14 ILE HG2 H 0.219 0.030 1 82 14 14 ILE C C 176.165 0.300 1 83 14 14 ILE CA C 62.768 0.300 1 84 14 14 ILE CB C 39.201 0.300 1 85 14 14 ILE CD1 C 12.384 0.300 1 86 14 14 ILE CG1 C 27.626 0.300 1 87 14 14 ILE CG2 C 16.209 0.300 1 88 14 14 ILE N N 123.432 0.300 1 89 15 15 CYS H H 8.585 0.030 1 90 15 15 CYS HA H 5.142 0.030 1 91 15 15 CYS HB2 H 3.438 0.030 2 92 15 15 CYS HB3 H 2.803 0.030 2 93 15 15 CYS C C 174.718 0.300 1 94 15 15 CYS CA C 57.993 0.300 1 95 15 15 CYS CB C 31.799 0.300 1 96 15 15 CYS N N 121.318 0.300 1 97 16 16 GLU H H 8.285 0.030 1 98 16 16 GLU HA H 4.264 0.030 1 99 16 16 GLU HB2 H 2.167 0.030 1 100 16 16 GLU HB3 H 2.167 0.030 1 101 16 16 GLU HG2 H 2.151 0.030 1 102 16 16 GLU HG3 H 2.151 0.030 1 103 16 16 GLU C C 176.459 0.300 1 104 16 16 GLU CA C 57.985 0.300 1 105 16 16 GLU CB C 28.210 0.300 1 106 16 16 GLU CG C 36.571 0.300 1 107 16 16 GLU N N 116.220 0.300 1 108 17 17 ARG H H 8.173 0.030 1 109 17 17 ARG HA H 3.951 0.030 1 110 17 17 ARG HB2 H 1.323 0.030 2 111 17 17 ARG HB3 H 1.256 0.030 2 112 17 17 ARG HD2 H 3.057 0.030 2 113 17 17 ARG HD3 H 2.830 0.030 2 114 17 17 ARG HG2 H 1.406 0.030 2 115 17 17 ARG HG3 H 1.784 0.030 2 116 17 17 ARG C C 174.494 0.300 1 117 17 17 ARG CA C 57.788 0.300 1 118 17 17 ARG CB C 31.376 0.300 1 119 17 17 ARG CD C 43.214 0.300 1 120 17 17 ARG CG C 28.102 0.300 1 121 17 17 ARG N N 122.511 0.300 1 122 18 18 LYS H H 7.748 0.030 1 123 18 18 LYS HA H 4.921 0.030 1 124 18 18 LYS HB2 H 1.543 0.030 2 125 18 18 LYS HB3 H 1.440 0.030 2 126 18 18 LYS HD2 H 1.528 0.030 1 127 18 18 LYS HD3 H 1.528 0.030 1 128 18 18 LYS HE2 H 2.924 0.030 1 129 18 18 LYS HE3 H 2.924 0.030 1 130 18 18 LYS HG2 H 1.370 0.030 1 131 18 18 LYS HG3 H 1.370 0.030 1 132 18 18 LYS C C 175.953 0.300 1 133 18 18 LYS CA C 54.808 0.300 1 134 18 18 LYS CB C 36.507 0.300 1 135 18 18 LYS CD C 29.285 0.300 1 136 18 18 LYS CE C 42.279 0.300 1 137 18 18 LYS CG C 24.949 0.300 1 138 18 18 LYS N N 118.732 0.300 1 139 19 19 PHE H H 8.801 0.030 1 140 19 19 PHE HA H 4.688 0.030 1 141 19 19 PHE HB2 H 3.397 0.030 2 142 19 19 PHE HB3 H 2.724 0.030 2 143 19 19 PHE HD1 H 7.193 0.030 1 144 19 19 PHE HD2 H 7.193 0.030 1 145 19 19 PHE HE1 H 6.827 0.030 1 146 19 19 PHE HE2 H 6.827 0.030 1 147 19 19 PHE HZ H 5.886 0.030 1 148 19 19 PHE C C 175.444 0.300 1 149 19 19 PHE CA C 57.389 0.300 1 150 19 19 PHE CB C 43.653 0.300 1 151 19 19 PHE CD1 C 132.005 0.300 1 152 19 19 PHE CD2 C 132.005 0.300 1 153 19 19 PHE CE1 C 130.653 0.300 1 154 19 19 PHE CE2 C 130.653 0.300 1 155 19 19 PHE CZ C 128.883 0.300 1 156 19 19 PHE N N 117.580 0.300 1 157 20 20 LYS H H 9.327 0.030 1 158 20 20 LYS HA H 4.495 0.030 1 159 20 20 LYS HB2 H 1.980 0.030 2 160 20 20 LYS HB3 H 1.877 0.030 2 161 20 20 LYS HD2 H 1.719 0.030 1 162 20 20 LYS HD3 H 1.719 0.030 1 163 20 20 LYS HE2 H 3.000 0.030 1 164 20 20 LYS HE3 H 3.000 0.030 1 165 20 20 LYS HG2 H 1.519 0.030 1 166 20 20 LYS HG3 H 1.519 0.030 1 167 20 20 LYS C C 175.965 0.300 1 168 20 20 LYS CA C 57.689 0.300 1 169 20 20 LYS CB C 33.316 0.300 1 170 20 20 LYS CD C 29.274 0.300 1 171 20 20 LYS CE C 42.119 0.300 1 172 20 20 LYS CG C 25.322 0.300 1 173 20 20 LYS N N 120.461 0.300 1 174 21 21 ASN H H 7.742 0.030 1 175 21 21 ASN HA H 4.729 0.030 1 176 21 21 ASN HB2 H 2.859 0.030 2 177 21 21 ASN HB3 H 2.753 0.030 2 178 21 21 ASN HD21 H 7.516 0.030 2 179 21 21 ASN HD22 H 6.875 0.030 2 180 21 21 ASN C C 173.997 0.300 1 181 21 21 ASN CA C 51.855 0.300 1 182 21 21 ASN CB C 40.634 0.300 1 183 21 21 ASN N N 112.310 0.300 1 184 21 21 ASN ND2 N 114.219 0.300 1 185 22 22 GLU H H 8.424 0.030 1 186 22 22 GLU HA H 2.939 0.030 1 187 22 22 GLU HB2 H 1.574 0.030 2 188 22 22 GLU HB3 H 1.222 0.030 2 189 22 22 GLU HG2 H 1.879 0.030 2 190 22 22 GLU HG3 H 1.676 0.030 2 191 22 22 GLU C C 176.937 0.300 1 192 22 22 GLU CA C 59.677 0.300 1 193 22 22 GLU CB C 29.974 0.300 1 194 22 22 GLU CG C 36.501 0.300 1 195 22 22 GLU N N 123.762 0.300 1 196 23 23 LEU H H 7.917 0.030 1 197 23 23 LEU HA H 4.010 0.030 1 198 23 23 LEU HB2 H 1.557 0.030 2 199 23 23 LEU HB3 H 1.492 0.030 2 200 23 23 LEU HD1 H 0.823 0.030 1 201 23 23 LEU HD2 H 0.874 0.030 1 202 23 23 LEU HG H 1.515 0.030 1 203 23 23 LEU C C 179.568 0.300 1 204 23 23 LEU CA C 57.949 0.300 1 205 23 23 LEU CB C 41.424 0.300 1 206 23 23 LEU CD1 C 24.378 0.300 2 207 23 23 LEU CD2 C 24.257 0.300 2 208 23 23 LEU CG C 27.109 0.300 1 209 23 23 LEU N N 119.631 0.300 1 210 24 24 ASP H H 7.989 0.030 1 211 24 24 ASP HA H 4.196 0.030 1 212 24 24 ASP HB2 H 2.705 0.030 1 213 24 24 ASP HB3 H 2.705 0.030 1 214 24 24 ASP C C 178.885 0.300 1 215 24 24 ASP CA C 56.841 0.300 1 216 24 24 ASP CB C 40.123 0.300 1 217 24 24 ASP N N 118.327 0.300 1 218 25 25 ARG H H 6.974 0.030 1 219 25 25 ARG HA H 2.415 0.030 1 220 25 25 ARG HB2 H 2.032 0.030 2 221 25 25 ARG HB3 H 1.355 0.030 2 222 25 25 ARG HD2 H 3.298 0.030 2 223 25 25 ARG HD3 H 3.036 0.030 2 224 25 25 ARG HE H 7.706 0.030 1 225 25 25 ARG HG2 H 1.631 0.030 2 226 25 25 ARG HG3 H 1.143 0.030 2 227 25 25 ARG C C 178.186 0.300 1 228 25 25 ARG CA C 59.361 0.300 1 229 25 25 ARG CB C 26.866 0.300 1 230 25 25 ARG CD C 41.450 0.300 1 231 25 25 ARG CG C 26.229 0.300 1 232 25 25 ARG N N 122.130 0.300 1 233 25 25 ARG NE N 80.189 0.300 1 234 26 26 ASP H H 8.627 0.030 1 235 26 26 ASP HA H 4.186 0.030 1 236 26 26 ASP HB2 H 2.716 0.030 2 237 26 26 ASP HB3 H 2.577 0.030 2 238 26 26 ASP C C 179.339 0.300 1 239 26 26 ASP CA C 57.924 0.300 1 240 26 26 ASP CB C 39.199 0.300 1 241 26 26 ASP N N 121.599 0.300 1 242 27 27 ARG H H 8.282 0.030 1 243 27 27 ARG HA H 3.980 0.030 1 244 27 27 ARG HB2 H 1.785 0.030 1 245 27 27 ARG HB3 H 1.785 0.030 1 246 27 27 ARG HD2 H 3.138 0.030 1 247 27 27 ARG HD3 H 3.138 0.030 1 248 27 27 ARG HG2 H 1.606 0.030 2 249 27 27 ARG HG3 H 1.760 0.030 2 250 27 27 ARG C C 179.376 0.300 1 251 27 27 ARG CA C 59.069 0.300 1 252 27 27 ARG CB C 30.083 0.300 1 253 27 27 ARG CD C 43.324 0.300 1 254 27 27 ARG CG C 27.764 0.300 1 255 27 27 ARG N N 120.051 0.300 1 256 28 28 HIS H H 7.570 0.030 1 257 28 28 HIS HA H 4.191 0.030 1 258 28 28 HIS HB2 H 3.103 0.030 2 259 28 28 HIS HB3 H 2.803 0.030 2 260 28 28 HIS HD2 H 7.063 0.030 1 261 28 28 HIS HE1 H 7.875 0.030 1 262 28 28 HIS C C 175.947 0.300 1 263 28 28 HIS CA C 58.692 0.300 1 264 28 28 HIS CB C 27.833 0.300 1 265 28 28 HIS CD2 C 128.290 0.300 1 266 28 28 HIS CE1 C 139.019 0.300 1 267 28 28 HIS N N 119.696 0.300 1 268 29 29 MET H H 7.699 0.030 1 269 29 29 MET HA H 3.904 0.030 1 270 29 29 MET HB2 H 2.154 0.030 2 271 29 29 MET HB3 H 2.052 0.030 2 272 29 29 MET HE H 2.030 0.030 1 273 29 29 MET HG2 H 3.078 0.030 2 274 29 29 MET HG3 H 2.870 0.030 2 275 29 29 MET C C 178.189 0.300 1 276 29 29 MET CA C 57.670 0.300 1 277 29 29 MET CB C 30.426 0.300 1 278 29 29 MET CE C 16.167 0.300 1 279 29 29 MET CG C 31.579 0.300 1 280 29 29 MET N N 114.386 0.300 1 281 30 30 LEU H H 7.084 0.030 1 282 30 30 LEU HA H 4.136 0.030 1 283 30 30 LEU HB2 H 1.732 0.030 2 284 30 30 LEU HB3 H 1.517 0.030 2 285 30 30 LEU HD1 H 0.938 0.030 1 286 30 30 LEU HD2 H 0.866 0.030 1 287 30 30 LEU HG H 1.828 0.030 1 288 30 30 LEU C C 179.862 0.300 1 289 30 30 LEU CA C 57.209 0.300 1 290 30 30 LEU CB C 41.599 0.300 1 291 30 30 LEU CD1 C 25.030 0.300 2 292 30 30 LEU CD2 C 22.709 0.300 2 293 30 30 LEU CG C 26.947 0.300 1 294 30 30 LEU N N 118.083 0.300 1 295 31 31 VAL H H 7.973 0.030 1 296 31 31 VAL HA H 3.898 0.030 1 297 31 31 VAL HB H 1.964 0.030 1 298 31 31 VAL HG1 H 0.645 0.030 1 299 31 31 VAL HG2 H 0.404 0.030 1 300 31 31 VAL C C 177.299 0.300 1 301 31 31 VAL CA C 63.658 0.300 1 302 31 31 VAL CB C 30.928 0.300 1 303 31 31 VAL CG1 C 19.798 0.300 2 304 31 31 VAL CG2 C 19.088 0.300 2 305 31 31 VAL N N 115.778 0.300 1 306 32 32 HIS H H 7.332 0.030 1 307 32 32 HIS HA H 4.758 0.030 1 308 32 32 HIS HB2 H 3.310 0.030 2 309 32 32 HIS HB3 H 3.078 0.030 2 310 32 32 HIS HD2 H 6.667 0.030 1 311 32 32 HIS HE1 H 8.004 0.030 1 312 32 32 HIS C C 175.187 0.300 1 313 32 32 HIS CA C 55.143 0.300 1 314 32 32 HIS CB C 28.875 0.300 1 315 32 32 HIS CD2 C 128.000 0.300 1 316 32 32 HIS CE1 C 140.063 0.300 1 317 32 32 HIS N N 117.485 0.300 1 318 33 33 GLY H H 7.694 0.030 1 319 33 33 GLY HA2 H 4.013 0.030 2 320 33 33 GLY C C 173.282 0.300 1 321 33 33 GLY CA C 45.528 0.300 1 322 33 33 GLY N N 107.584 0.300 1 323 34 34 ASP H H 8.239 0.030 1 324 34 34 ASP HA H 4.570 0.030 1 325 34 34 ASP HB2 H 2.572 0.030 1 326 34 34 ASP HB3 H 2.572 0.030 1 327 34 34 ASP C C 176.063 0.300 1 328 34 34 ASP CA C 54.366 0.300 1 329 34 34 ASP CB C 41.227 0.300 1 330 34 34 ASP N N 119.585 0.300 1 331 35 35 LYS H H 7.931 0.030 1 332 35 35 LYS HA H 4.245 0.030 1 333 35 35 LYS HB2 H 1.695 0.030 2 334 35 35 LYS HB3 H 1.541 0.030 2 335 35 35 LYS HD2 H 1.551 0.030 1 336 35 35 LYS HD3 H 1.551 0.030 1 337 35 35 LYS HE2 H 2.896 0.030 1 338 35 35 LYS HE3 H 2.896 0.030 1 339 35 35 LYS HG2 H 1.263 0.030 1 340 35 35 LYS HG3 H 1.263 0.030 1 341 35 35 LYS C C 174.917 0.300 1 342 35 35 LYS CA C 55.842 0.300 1 343 35 35 LYS CB C 33.044 0.300 1 344 35 35 LYS CD C 28.845 0.300 1 345 35 35 LYS CE C 42.135 0.300 1 346 35 35 LYS CG C 24.346 0.300 1 347 35 35 LYS N N 120.243 0.300 1 348 36 36 TRP H H 7.590 0.030 1 349 36 36 TRP HA H 4.481 0.030 1 350 36 36 TRP HB2 H 3.292 0.030 2 351 36 36 TRP HB3 H 3.126 0.030 2 352 36 36 TRP HD1 H 7.110 0.030 1 353 36 36 TRP HE1 H 9.932 0.030 1 354 36 36 TRP HE3 H 7.610 0.030 1 355 36 36 TRP HH2 H 7.169 0.030 1 356 36 36 TRP HZ2 H 7.417 0.030 1 357 36 36 TRP HZ3 H 7.093 0.030 1 358 36 36 TRP C C 180.754 0.300 1 359 36 36 TRP CA C 58.339 0.300 1 360 36 36 TRP CB C 30.204 0.300 1 361 36 36 TRP CD1 C 126.928 0.300 1 362 36 36 TRP CE3 C 121.402 0.300 1 363 36 36 TRP CH2 C 124.371 0.300 1 364 36 36 TRP CZ2 C 114.367 0.300 1 365 36 36 TRP CZ3 C 121.656 0.300 1 366 36 36 TRP N N 127.389 0.300 1 367 36 36 TRP NE1 N 128.461 0.300 1 stop_ save_