data_11384 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 24th C2H2 type zinc finger domain of Zinc finger protein 268 ; _BMRB_accession_number 11384 _BMRB_flat_file_name bmr11384.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 199 "13C chemical shifts" 154 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 24th C2H2 type zinc finger domain of Zinc finger protein 268 ; _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'Zinc finger protein 268' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger domain, UNP residues 915-947' $entity_1 'ZINC ION' $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 'zinc finger domain, UNP residues 915-947' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPCKCTECGK AFCWKSQLIMHQRTHVDDKH SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 GLU 11 LYS 12 PRO 13 CYS 14 LYS 15 CYS 16 THR 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 CYS 24 TRP 25 LYS 26 SER 27 GLN 28 LEU 29 ILE 30 MET 31 HIS 32 GLN 33 ARG 34 THR 35 HIS 36 VAL 37 ASP 38 ASP 39 LYS 40 HIS 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2EPW "Solution Structure Of The 24th C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 268" 100.00 46 100.00 100.00 6.85e-24 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P061225-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.15mM 13C-15N {PROTEIN;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM ZnCl2+1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.15 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement '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_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'zinc finger domain, UNP residues 915-947' _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 C C 174.568 0.300 1 2 7 7 GLY CA C 45.644 0.300 1 3 8 8 THR H H 8.159 0.030 1 4 8 8 THR HA H 4.402 0.030 1 5 8 8 THR HB H 4.332 0.030 1 6 8 8 THR HG2 H 1.234 0.030 1 7 8 8 THR C C 175.252 0.300 1 8 8 8 THR CA C 61.962 0.300 1 9 8 8 THR CB C 69.862 0.300 1 10 8 8 THR CG2 C 21.576 0.300 1 11 8 8 THR N N 112.807 0.300 1 12 9 9 GLY H H 8.445 0.030 1 13 9 9 GLY HA2 H 3.980 0.030 1 14 9 9 GLY HA3 H 3.980 0.030 1 15 9 9 GLY C C 173.962 0.300 1 16 9 9 GLY CA C 45.252 0.300 1 17 9 9 GLY N N 111.101 0.300 1 18 10 10 GLU H H 8.165 0.030 1 19 10 10 GLU HA H 4.233 0.030 1 20 10 10 GLU HB2 H 2.006 0.030 2 21 10 10 GLU HB3 H 1.897 0.030 2 22 10 10 GLU HG2 H 2.244 0.030 1 23 10 10 GLU HG3 H 2.244 0.030 1 24 10 10 GLU C C 176.245 0.300 1 25 10 10 GLU CA C 56.532 0.300 1 26 10 10 GLU CB C 30.590 0.300 1 27 10 10 GLU CG C 36.275 0.300 1 28 10 10 GLU N N 120.542 0.300 1 29 11 11 LYS H H 8.331 0.030 1 30 11 11 LYS HA H 4.534 0.030 1 31 11 11 LYS HB2 H 1.620 0.030 2 32 11 11 LYS HB3 H 1.578 0.030 2 33 11 11 LYS HD2 H 1.624 0.030 2 34 11 11 LYS HE2 H 2.972 0.030 2 35 11 11 LYS HG2 H 1.359 0.030 2 36 11 11 LYS HG3 H 1.403 0.030 2 37 11 11 LYS C C 174.088 0.300 1 38 11 11 LYS CA C 54.109 0.300 1 39 11 11 LYS CB C 32.796 0.300 1 40 11 11 LYS CD C 29.251 0.300 1 41 11 11 LYS CE C 42.160 0.300 1 42 11 11 LYS CG C 24.924 0.300 1 43 11 11 LYS N N 122.789 0.300 1 44 12 12 PRO HA H 4.512 0.030 1 45 12 12 PRO HB2 H 2.257 0.030 2 46 12 12 PRO HB3 H 1.945 0.030 2 47 12 12 PRO HD2 H 3.741 0.030 2 48 12 12 PRO HD3 H 3.685 0.030 2 49 12 12 PRO HG2 H 2.004 0.030 2 50 12 12 PRO C C 176.924 0.300 1 51 12 12 PRO CA C 63.748 0.300 1 52 12 12 PRO CB C 32.748 0.300 1 53 12 12 PRO CD C 50.620 0.300 1 54 12 12 PRO CG C 27.213 0.300 1 55 13 13 CYS H H 8.270 0.030 1 56 13 13 CYS HA H 4.729 0.030 1 57 13 13 CYS HB2 H 2.946 0.030 2 58 13 13 CYS HB3 H 2.857 0.030 2 59 13 13 CYS C C 173.573 0.300 1 60 13 13 CYS CA C 57.347 0.300 1 61 13 13 CYS CB C 28.773 0.300 1 62 13 13 CYS N N 119.250 0.300 1 63 14 14 LYS H H 8.443 0.030 1 64 14 14 LYS HA H 4.983 0.030 1 65 14 14 LYS HB2 H 1.629 0.030 1 66 14 14 LYS HB3 H 1.629 0.030 1 67 14 14 LYS HD2 H 1.611 0.030 1 68 14 14 LYS HD3 H 1.611 0.030 1 69 14 14 LYS HE2 H 2.962 0.030 2 70 14 14 LYS HG2 H 1.200 0.030 1 71 14 14 LYS HG3 H 1.200 0.030 1 72 14 14 LYS C C 174.977 0.300 1 73 14 14 LYS CA C 55.314 0.300 1 74 14 14 LYS CB C 35.500 0.300 1 75 14 14 LYS CD C 29.430 0.300 1 76 14 14 LYS CE C 42.068 0.300 1 77 14 14 LYS CG C 24.823 0.300 1 78 14 14 LYS N N 123.888 0.300 1 79 15 15 CYS H H 9.193 0.030 1 80 15 15 CYS HA H 4.656 0.030 1 81 15 15 CYS HB2 H 2.911 0.030 2 82 15 15 CYS HB3 H 3.450 0.030 2 83 15 15 CYS C C 177.805 0.300 1 84 15 15 CYS CA C 59.487 0.300 1 85 15 15 CYS CB C 29.875 0.300 1 86 15 15 CYS N N 126.258 0.300 1 87 16 16 THR H H 9.020 0.030 1 88 16 16 THR HA H 4.130 0.030 1 89 16 16 THR HB H 4.408 0.030 1 90 16 16 THR HG2 H 1.379 0.030 1 91 16 16 THR C C 174.935 0.300 1 92 16 16 THR CA C 64.548 0.300 1 93 16 16 THR CB C 68.668 0.300 1 94 16 16 THR CG2 C 22.300 0.300 1 95 16 16 THR N N 124.313 0.300 1 96 17 17 GLU H H 8.754 0.030 1 97 17 17 GLU HA H 4.278 0.030 1 98 17 17 GLU HB2 H 1.467 0.030 1 99 17 17 GLU HB3 H 1.467 0.030 1 100 17 17 GLU HG2 H 1.935 0.030 2 101 17 17 GLU HG3 H 1.821 0.030 2 102 17 17 GLU C C 177.142 0.300 1 103 17 17 GLU CA C 58.312 0.300 1 104 17 17 GLU CB C 29.786 0.300 1 105 17 17 GLU CG C 35.783 0.300 1 106 17 17 GLU N N 123.352 0.300 1 107 18 18 CYS H H 7.992 0.030 1 108 18 18 CYS HA H 5.196 0.030 1 109 18 18 CYS HB2 H 3.466 0.030 2 110 18 18 CYS HB3 H 2.892 0.030 2 111 18 18 CYS C C 176.219 0.300 1 112 18 18 CYS CA C 58.375 0.300 1 113 18 18 CYS CB C 32.555 0.300 1 114 18 18 CYS N N 114.764 0.300 1 115 19 19 GLY H H 8.046 0.030 1 116 19 19 GLY HA2 H 4.269 0.030 2 117 19 19 GLY HA3 H 3.811 0.030 2 118 19 19 GLY C C 173.682 0.300 1 119 19 19 GLY CA C 46.262 0.300 1 120 19 19 GLY N N 113.043 0.300 1 121 20 20 LYS H H 8.001 0.030 1 122 20 20 LYS HA H 3.933 0.030 1 123 20 20 LYS HB2 H 1.437 0.030 2 124 20 20 LYS HB3 H 1.211 0.030 2 125 20 20 LYS HD2 H 1.504 0.030 2 126 20 20 LYS HE2 H 3.009 0.030 2 127 20 20 LYS HE3 H 2.924 0.030 2 128 20 20 LYS HG2 H 1.069 0.030 2 129 20 20 LYS HG3 H 1.416 0.030 2 130 20 20 LYS C C 173.666 0.300 1 131 20 20 LYS CA C 58.345 0.300 1 132 20 20 LYS CB C 33.765 0.300 1 133 20 20 LYS CD C 29.380 0.300 1 134 20 20 LYS CE C 42.171 0.300 1 135 20 20 LYS CG C 26.237 0.300 1 136 20 20 LYS N N 123.159 0.300 1 137 21 21 ALA H H 7.785 0.030 1 138 21 21 ALA HA H 5.020 0.030 1 139 21 21 ALA HB H 1.193 0.030 1 140 21 21 ALA C C 175.935 0.300 1 141 21 21 ALA CA C 50.417 0.300 1 142 21 21 ALA CB C 22.102 0.300 1 143 21 21 ALA N N 123.954 0.300 1 144 22 22 PHE H H 8.512 0.030 1 145 22 22 PHE HA H 4.681 0.030 1 146 22 22 PHE HB2 H 2.558 0.030 2 147 22 22 PHE HB3 H 3.453 0.030 2 148 22 22 PHE HD1 H 7.143 0.030 1 149 22 22 PHE HD2 H 7.143 0.030 1 150 22 22 PHE HE1 H 6.856 0.030 1 151 22 22 PHE HE2 H 6.856 0.030 1 152 22 22 PHE HZ H 6.247 0.030 1 153 22 22 PHE C C 174.988 0.300 1 154 22 22 PHE CA C 56.915 0.300 1 155 22 22 PHE CB C 43.594 0.300 1 156 22 22 PHE CD1 C 132.392 0.300 1 157 22 22 PHE CD2 C 132.392 0.300 1 158 22 22 PHE CE1 C 130.634 0.300 1 159 22 22 PHE CE2 C 130.634 0.300 1 160 22 22 PHE CZ C 128.598 0.300 1 161 22 22 PHE N N 116.619 0.300 1 162 23 23 CYS H H 8.790 0.030 1 163 23 23 CYS HA H 4.112 0.030 1 164 23 23 CYS HB2 H 2.409 0.030 2 165 23 23 CYS HB3 H 2.283 0.030 2 166 23 23 CYS C C 174.059 0.300 1 167 23 23 CYS CA C 61.980 0.300 1 168 23 23 CYS CB C 27.465 0.300 1 169 23 23 CYS N N 119.438 0.300 1 170 24 24 TRP H H 7.590 0.030 1 171 24 24 TRP HA H 5.264 0.030 1 172 24 24 TRP HB2 H 2.949 0.030 2 173 24 24 TRP HB3 H 3.665 0.030 2 174 24 24 TRP HD1 H 7.282 0.030 1 175 24 24 TRP HE1 H 10.193 0.030 1 176 24 24 TRP HE3 H 7.729 0.030 1 177 24 24 TRP HH2 H 7.292 0.030 1 178 24 24 TRP HZ2 H 7.546 0.030 1 179 24 24 TRP HZ3 H 7.234 0.030 1 180 24 24 TRP C C 177.287 0.300 1 181 24 24 TRP CA C 55.141 0.300 1 182 24 24 TRP CB C 32.768 0.300 1 183 24 24 TRP CD1 C 127.550 0.300 1 184 24 24 TRP CE3 C 121.198 0.300 1 185 24 24 TRP CH2 C 124.747 0.300 1 186 24 24 TRP CZ2 C 114.703 0.300 1 187 24 24 TRP CZ3 C 122.037 0.300 1 188 24 24 TRP N N 114.452 0.300 1 189 24 24 TRP NE1 N 129.189 0.300 1 190 25 25 LYS H H 9.439 0.030 1 191 25 25 LYS HA H 4.111 0.030 1 192 25 25 LYS HB2 H 2.070 0.030 2 193 25 25 LYS HB3 H 2.000 0.030 2 194 25 25 LYS HD2 H 1.815 0.030 1 195 25 25 LYS HD3 H 1.815 0.030 1 196 25 25 LYS HE2 H 3.062 0.030 2 197 25 25 LYS HG2 H 1.612 0.030 1 198 25 25 LYS HG3 H 1.612 0.030 1 199 25 25 LYS C C 178.478 0.300 1 200 25 25 LYS CA C 59.921 0.300 1 201 25 25 LYS CB C 32.085 0.300 1 202 25 25 LYS CD C 29.305 0.300 1 203 25 25 LYS CE C 42.160 0.300 1 204 25 25 LYS CG C 25.079 0.300 1 205 25 25 LYS N N 127.107 0.300 1 206 26 26 SER H H 8.865 0.030 1 207 26 26 SER HA H 4.083 0.030 1 208 26 26 SER HB2 H 3.972 0.030 2 209 26 26 SER HB3 H 3.918 0.030 2 210 26 26 SER C C 177.228 0.300 1 211 26 26 SER CA C 61.429 0.300 1 212 26 26 SER CB C 61.595 0.300 1 213 26 26 SER N N 113.178 0.300 1 214 27 27 GLN H H 7.122 0.030 1 215 27 27 GLN HA H 4.109 0.030 1 216 27 27 GLN HB2 H 2.648 0.030 2 217 27 27 GLN HB3 H 2.089 0.030 2 218 27 27 GLN HE21 H 7.621 0.030 2 219 27 27 GLN HE22 H 7.030 0.030 2 220 27 27 GLN HG2 H 2.572 0.030 1 221 27 27 GLN HG3 H 2.572 0.030 1 222 27 27 GLN C C 178.713 0.300 1 223 27 27 GLN CA C 57.897 0.300 1 224 27 27 GLN CB C 29.110 0.300 1 225 27 27 GLN CG C 34.567 0.300 1 226 27 27 GLN N N 120.409 0.300 1 227 27 27 GLN NE2 N 111.757 0.300 1 228 28 28 LEU H H 7.229 0.030 1 229 28 28 LEU HA H 3.338 0.030 1 230 28 28 LEU HB2 H 2.193 0.030 2 231 28 28 LEU HB3 H 1.340 0.030 2 232 28 28 LEU HD1 H 1.058 0.030 1 233 28 28 LEU HD2 H 0.970 0.030 1 234 28 28 LEU HG H 1.591 0.030 1 235 28 28 LEU C C 177.786 0.300 1 236 28 28 LEU CA C 57.972 0.300 1 237 28 28 LEU CB C 40.835 0.300 1 238 28 28 LEU CD1 C 22.954 0.300 2 239 28 28 LEU CD2 C 26.389 0.300 2 240 28 28 LEU CG C 27.432 0.300 1 241 28 28 LEU N N 122.472 0.300 1 242 29 29 ILE H H 8.442 0.030 1 243 29 29 ILE HA H 3.832 0.030 1 244 29 29 ILE HB H 1.856 0.030 1 245 29 29 ILE HD1 H 0.863 0.030 1 246 29 29 ILE HG12 H 1.655 0.030 2 247 29 29 ILE HG13 H 1.290 0.030 2 248 29 29 ILE HG2 H 0.933 0.030 1 249 29 29 ILE C C 179.177 0.300 1 250 29 29 ILE CA C 64.827 0.300 1 251 29 29 ILE CB C 37.764 0.300 1 252 29 29 ILE CD1 C 12.815 0.300 1 253 29 29 ILE CG1 C 28.985 0.300 1 254 29 29 ILE CG2 C 17.182 0.300 1 255 29 29 ILE N N 119.639 0.300 1 256 30 30 MET H H 7.306 0.030 1 257 30 30 MET HA H 4.180 0.030 1 258 30 30 MET HB2 H 2.116 0.030 1 259 30 30 MET HB3 H 2.116 0.030 1 260 30 30 MET HE H 2.122 0.030 1 261 30 30 MET HG2 H 2.728 0.030 2 262 30 30 MET HG3 H 2.648 0.030 2 263 30 30 MET C C 178.963 0.300 1 264 30 30 MET CA C 58.393 0.300 1 265 30 30 MET CB C 32.250 0.300 1 266 30 30 MET CE C 16.986 0.300 1 267 30 30 MET CG C 32.197 0.300 1 268 30 30 MET N N 117.469 0.300 1 269 31 31 HIS H H 7.793 0.030 1 270 31 31 HIS HA H 4.314 0.030 1 271 31 31 HIS HB2 H 3.153 0.030 2 272 31 31 HIS HB3 H 2.919 0.030 2 273 31 31 HIS HD2 H 6.993 0.030 1 274 31 31 HIS HE1 H 8.028 0.030 1 275 31 31 HIS C C 177.954 0.300 1 276 31 31 HIS CA C 59.108 0.300 1 277 31 31 HIS CB C 28.559 0.300 1 278 31 31 HIS CD2 C 127.360 0.300 1 279 31 31 HIS CE1 C 139.758 0.300 1 280 31 31 HIS N N 119.099 0.300 1 281 32 32 GLN H H 8.945 0.030 1 282 32 32 GLN HA H 3.759 0.030 1 283 32 32 GLN HB2 H 2.408 0.030 2 284 32 32 GLN HB3 H 2.223 0.030 2 285 32 32 GLN HE21 H 7.667 0.030 2 286 32 32 GLN HE22 H 6.870 0.030 2 287 32 32 GLN HG2 H 2.826 0.030 2 288 32 32 GLN C C 177.921 0.300 1 289 32 32 GLN CA C 59.939 0.300 1 290 32 32 GLN CB C 28.134 0.300 1 291 32 32 GLN CG C 35.452 0.300 1 292 32 32 GLN N N 120.843 0.300 1 293 32 32 GLN NE2 N 111.354 0.300 1 294 33 33 ARG H H 7.243 0.030 1 295 33 33 ARG HA H 4.162 0.030 1 296 33 33 ARG HB2 H 2.004 0.030 2 297 33 33 ARG HB3 H 1.925 0.030 2 298 33 33 ARG HD2 H 3.257 0.030 1 299 33 33 ARG HD3 H 3.257 0.030 1 300 33 33 ARG HG2 H 1.921 0.030 2 301 33 33 ARG HG3 H 1.787 0.030 2 302 33 33 ARG C C 177.990 0.300 1 303 33 33 ARG CA C 58.401 0.300 1 304 33 33 ARG CB C 29.939 0.300 1 305 33 33 ARG CD C 43.559 0.300 1 306 33 33 ARG CG C 27.360 0.300 1 307 33 33 ARG N N 117.414 0.300 1 308 34 34 THR H H 7.723 0.030 1 309 34 34 THR HA H 4.180 0.030 1 310 34 34 THR HB H 4.077 0.030 1 311 34 34 THR HG2 H 1.195 0.030 1 312 34 34 THR C C 175.459 0.300 1 313 34 34 THR CA C 63.872 0.300 1 314 34 34 THR CB C 69.449 0.300 1 315 34 34 THR CG2 C 21.038 0.300 1 316 34 34 THR N N 131.080 0.300 1 317 35 35 HIS H H 7.125 0.030 1 318 35 35 HIS HA H 4.855 0.030 1 319 35 35 HIS HB2 H 3.354 0.030 2 320 35 35 HIS HB3 H 3.170 0.030 2 321 35 35 HIS HD2 H 6.671 0.030 1 322 35 35 HIS HE1 H 8.036 0.030 1 323 35 35 HIS C C 175.125 0.300 1 324 35 35 HIS CA C 55.671 0.300 1 325 35 35 HIS CB C 28.748 0.300 1 326 35 35 HIS CD2 C 126.860 0.300 1 327 35 35 HIS CE1 C 139.860 0.300 1 328 35 35 HIS N N 118.222 0.300 1 329 36 36 VAL H H 7.485 0.030 1 330 36 36 VAL HA H 4.114 0.030 1 331 36 36 VAL HB H 2.158 0.030 1 332 36 36 VAL HG1 H 0.999 0.030 1 333 36 36 VAL HG2 H 0.968 0.030 1 334 36 36 VAL C C 175.899 0.300 1 335 36 36 VAL CA C 63.013 0.300 1 336 36 36 VAL CB C 32.860 0.300 1 337 36 36 VAL CG1 C 20.925 0.300 2 338 36 36 VAL CG2 C 21.236 0.300 2 339 36 36 VAL N N 119.165 0.300 1 340 37 37 ASP H H 8.308 0.030 1 341 37 37 ASP HA H 4.675 0.030 1 342 37 37 ASP HB2 H 2.776 0.030 2 343 37 37 ASP HB3 H 2.671 0.030 2 344 37 37 ASP C C 176.123 0.300 1 345 37 37 ASP CA C 54.498 0.300 1 346 37 37 ASP CB C 41.255 0.300 1 347 37 37 ASP N N 123.138 0.300 1 348 38 38 ASP H H 8.206 0.030 1 349 38 38 ASP HA H 4.580 0.030 1 350 38 38 ASP HB2 H 2.722 0.030 1 351 38 38 ASP HB3 H 2.722 0.030 1 352 38 38 ASP C C 176.663 0.300 1 353 38 38 ASP CA C 54.669 0.300 1 354 38 38 ASP CB C 41.068 0.300 1 355 38 38 ASP N N 121.272 0.300 1 356 39 39 LYS H H 8.190 0.030 1 357 39 39 LYS HA H 4.273 0.030 1 358 39 39 LYS HB2 H 1.801 0.030 2 359 39 39 LYS HD2 H 1.689 0.030 2 360 39 39 LYS HE2 H 3.033 0.030 2 361 39 39 LYS HG2 H 1.394 0.030 1 362 39 39 LYS HG3 H 1.394 0.030 1 363 39 39 LYS C C 176.695 0.300 1 364 39 39 LYS CA C 56.614 0.300 1 365 39 39 LYS CB C 32.528 0.300 1 366 39 39 LYS CD C 28.862 0.300 1 367 39 39 LYS CE C 42.160 0.300 1 368 39 39 LYS CG C 24.720 0.300 1 369 39 39 LYS N N 120.476 0.300 1 370 40 40 HIS HA H 4.701 0.030 1 371 40 40 HIS HB2 H 3.157 0.030 2 372 40 40 HIS HB3 H 3.278 0.030 2 373 40 40 HIS HD2 H 7.155 0.030 1 374 40 40 HIS HE1 H 8.130 0.030 1 375 40 40 HIS CA C 56.197 0.300 1 376 40 40 HIS CB C 30.116 0.300 1 377 40 40 HIS CD2 C 120.360 0.300 1 378 40 40 HIS CE1 C 137.674 0.300 1 379 43 43 PRO HA H 4.517 0.030 1 380 43 43 PRO HB2 H 2.330 0.030 2 381 43 43 PRO HB3 H 2.012 0.030 2 382 43 43 PRO HD2 H 3.671 0.030 2 383 43 43 PRO HG2 H 2.055 0.030 2 384 43 43 PRO CA C 63.455 0.300 1 385 43 43 PRO CB C 32.235 0.300 1 386 43 43 PRO CD C 49.872 0.300 1 387 43 43 PRO CG C 27.196 0.300 1 stop_ save_