data_10178 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 204-236) of human Zinc finger protein 473 ; _BMRB_accession_number 10178 _BMRB_flat_file_name bmr10178.str _Entry_type original _Submission_date 2008-01-31 _Accession_date 2008-02-01 _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 N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 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" 207 "13C chemical shifts" 153 "15N chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-24 original author . stop_ _Original_release_date 2009-02-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 type zinc finger (region 204-236) of human Zinc finger protein 473 ; _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 N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 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 473' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label zf-C2H2 $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 zf-C2H2 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGEGEKPYQCSECGK SFSGSYRLTQHWITHTREKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 GLN 15 CYS 16 SER 17 GLU 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 SER 24 GLY 25 SER 26 TYR 27 ARG 28 LEU 29 THR 30 GLN 31 HIS 32 TRP 33 ILE 34 THR 35 HIS 36 THR 37 ARG 38 GLU 39 LYS 40 PRO 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 2YTT "Solution Structure Of The C2h2 Type Zinc Finger (Region 204- 236) Of Human Zinc Finger Protein 473" 100.00 46 100.00 100.00 1.07e-22 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 . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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' . . . . plasmid P070115-22 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 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 296 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 zf-C2H2 _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 CA C 58.504 0.300 1 2 6 6 SER HA H 4.481 0.030 1 3 6 6 SER CB C 63.922 0.300 1 4 6 6 SER HB2 H 3.889 0.030 1 5 6 6 SER HB3 H 3.889 0.030 1 6 6 6 SER C C 175.079 0.300 1 7 7 7 GLY N N 110.906 0.300 1 8 7 7 GLY H H 8.456 0.030 1 9 7 7 GLY CA C 45.320 0.300 1 10 7 7 GLY HA2 H 3.980 0.030 1 11 7 7 GLY HA3 H 3.980 0.030 1 12 7 7 GLY C C 174.337 0.300 1 13 8 8 GLU N N 120.775 0.300 1 14 8 8 GLU H H 8.343 0.030 1 15 8 8 GLU CA C 56.857 0.300 1 16 8 8 GLU HA H 4.297 0.030 1 17 8 8 GLU CB C 30.354 0.300 1 18 8 8 GLU HB2 H 2.079 0.030 2 19 8 8 GLU HB3 H 1.935 0.030 2 20 8 8 GLU CG C 36.262 0.300 1 21 8 8 GLU HG2 H 2.271 0.030 2 22 8 8 GLU HG3 H 2.221 0.030 2 23 8 8 GLU C C 177.082 0.300 1 24 9 9 GLY N N 109.791 0.300 1 25 9 9 GLY H H 8.472 0.030 1 26 9 9 GLY CA C 45.201 0.300 1 27 9 9 GLY HA2 H 3.962 0.030 1 28 9 9 GLY HA3 H 3.962 0.030 1 29 9 9 GLY C C 173.936 0.300 1 30 10 10 GLU N N 120.213 0.300 1 31 10 10 GLU H H 8.203 0.030 1 32 10 10 GLU CA C 56.464 0.300 1 33 10 10 GLU HA H 4.280 0.030 1 34 10 10 GLU CB C 30.387 0.300 1 35 10 10 GLU HB2 H 2.014 0.030 2 36 10 10 GLU HB3 H 1.926 0.030 2 37 10 10 GLU CG C 36.472 0.300 1 38 10 10 GLU HG2 H 2.271 0.030 2 39 10 10 GLU HG3 H 2.238 0.030 2 40 10 10 GLU C C 176.324 0.300 1 41 11 11 LYS N N 123.251 0.300 1 42 11 11 LYS H H 8.292 0.030 1 43 11 11 LYS CA C 54.057 0.300 1 44 11 11 LYS HA H 4.538 0.030 1 45 11 11 LYS CB C 32.749 0.300 1 46 11 11 LYS HB2 H 1.636 0.030 1 47 11 11 LYS HB3 H 1.636 0.030 1 48 11 11 LYS CG C 24.631 0.300 1 49 11 11 LYS HG2 H 1.374 0.030 2 50 11 11 LYS HG3 H 1.288 0.030 2 51 11 11 LYS CD C 29.284 0.300 1 52 11 11 LYS HD2 H 1.564 0.030 1 53 11 11 LYS HD3 H 1.564 0.030 1 54 11 11 LYS CE C 42.249 0.300 1 55 11 11 LYS HE2 H 2.927 0.030 1 56 11 11 LYS HE3 H 2.927 0.030 1 57 12 12 PRO CA C 63.124 0.300 1 58 12 12 PRO HA H 4.435 0.030 1 59 12 12 PRO CB C 32.125 0.300 1 60 12 12 PRO HB2 H 1.532 0.030 2 61 12 12 PRO HB3 H 2.058 0.030 2 62 12 12 PRO CG C 27.069 0.300 1 63 12 12 PRO HG2 H 1.889 0.030 2 64 12 12 PRO HG3 H 1.849 0.030 2 65 12 12 PRO CD C 50.398 0.300 1 66 12 12 PRO HD2 H 3.695 0.030 2 67 12 12 PRO HD3 H 3.583 0.030 2 68 12 12 PRO C C 176.448 0.300 1 69 13 13 TYR N N 119.740 0.300 1 70 13 13 TYR H H 8.457 0.030 1 71 13 13 TYR CA C 57.356 0.300 1 72 13 13 TYR HA H 4.537 0.030 1 73 13 13 TYR CB C 38.918 0.300 1 74 13 13 TYR HB2 H 2.913 0.030 1 75 13 13 TYR HB3 H 2.913 0.030 1 76 13 13 TYR CD1 C 133.069 0.300 1 77 13 13 TYR HD1 H 7.048 0.030 1 78 13 13 TYR CD2 C 133.069 0.300 1 79 13 13 TYR HD2 H 7.048 0.030 1 80 13 13 TYR CE1 C 118.226 0.300 1 81 13 13 TYR HE1 H 6.858 0.030 1 82 13 13 TYR CE2 C 118.226 0.300 1 83 13 13 TYR HE2 H 6.858 0.030 1 84 13 13 TYR C C 174.408 0.300 1 85 14 14 GLN N N 122.442 0.300 1 86 14 14 GLN H H 8.482 0.030 1 87 14 14 GLN CA C 54.562 0.300 1 88 14 14 GLN HA H 4.996 0.030 1 89 14 14 GLN CB C 31.639 0.300 1 90 14 14 GLN HB2 H 1.894 0.030 2 91 14 14 GLN HB3 H 1.792 0.030 2 92 14 14 GLN CG C 34.001 0.300 1 93 14 14 GLN HG2 H 2.055 0.030 1 94 14 14 GLN HG3 H 2.055 0.030 1 95 14 14 GLN NE2 N 111.863 0.300 1 96 14 14 GLN HE21 H 7.540 0.030 2 97 14 14 GLN HE22 H 6.782 0.030 2 98 14 14 GLN C C 175.180 0.300 1 99 15 15 CYS N N 128.228 0.300 1 100 15 15 CYS H H 9.319 0.030 1 101 15 15 CYS CA C 59.809 0.300 1 102 15 15 CYS HA H 4.710 0.030 1 103 15 15 CYS CB C 30.177 0.300 1 104 15 15 CYS HB2 H 2.883 0.030 2 105 15 15 CYS HB3 H 3.424 0.030 2 106 15 15 CYS C C 177.750 0.300 1 107 16 16 SER N N 128.171 0.300 1 108 16 16 SER H H 9.434 0.030 1 109 16 16 SER CA C 60.913 0.300 1 110 16 16 SER HA H 4.299 0.030 1 111 16 16 SER CB C 63.126 0.300 1 112 16 16 SER HB2 H 4.138 0.030 2 113 16 16 SER HB3 H 4.044 0.030 2 114 16 16 SER C C 174.606 0.300 1 115 17 17 GLU N N 124.574 0.300 1 116 17 17 GLU H H 9.028 0.030 1 117 17 17 GLU CA C 57.949 0.300 1 118 17 17 GLU HA H 4.338 0.030 1 119 17 17 GLU CB C 29.942 0.300 1 120 17 17 GLU HB2 H 1.496 0.030 2 121 17 17 GLU HB3 H 1.276 0.030 2 122 17 17 GLU CG C 35.151 0.300 1 123 17 17 GLU HG2 H 1.712 0.030 2 124 17 17 GLU HG3 H 1.649 0.030 2 125 17 17 GLU C C 177.060 0.300 1 126 18 18 CYS N N 114.918 0.300 1 127 18 18 CYS H H 8.089 0.030 1 128 18 18 CYS CA C 58.331 0.300 1 129 18 18 CYS HA H 5.177 0.030 1 130 18 18 CYS CB C 32.407 0.300 1 131 18 18 CYS HB2 H 2.882 0.030 2 132 18 18 CYS HB3 H 3.437 0.030 2 133 18 18 CYS C C 176.482 0.300 1 134 19 19 GLY N N 113.022 0.300 1 135 19 19 GLY H H 8.104 0.030 1 136 19 19 GLY CA C 46.298 0.300 1 137 19 19 GLY HA2 H 3.856 0.030 2 138 19 19 GLY HA3 H 4.240 0.030 2 139 19 19 GLY C C 173.951 0.300 1 140 20 20 LYS N N 122.753 0.300 1 141 20 20 LYS H H 7.932 0.030 1 142 20 20 LYS CA C 57.933 0.300 1 143 20 20 LYS HA H 4.092 0.030 1 144 20 20 LYS CB C 33.918 0.300 1 145 20 20 LYS HB2 H 1.463 0.030 2 146 20 20 LYS HB3 H 1.359 0.030 2 147 20 20 LYS CG C 26.400 0.300 1 148 20 20 LYS HG2 H 1.554 0.030 2 149 20 20 LYS HG3 H 1.221 0.030 2 150 20 20 LYS CD C 29.261 0.300 1 151 20 20 LYS HD2 H 1.557 0.030 1 152 20 20 LYS HD3 H 1.557 0.030 1 153 20 20 LYS CE C 42.290 0.300 1 154 20 20 LYS HE2 H 2.997 0.030 1 155 20 20 LYS HE3 H 2.997 0.030 1 156 20 20 LYS C C 174.553 0.300 1 157 21 21 SER N N 115.470 0.300 1 158 21 21 SER H H 7.982 0.030 1 159 21 21 SER CA C 57.450 0.300 1 160 21 21 SER HA H 5.207 0.030 1 161 21 21 SER CB C 65.453 0.300 1 162 21 21 SER HB2 H 3.604 0.030 1 163 21 21 SER HB3 H 3.604 0.030 1 164 21 21 SER C C 173.111 0.300 1 165 22 22 PHE N N 119.199 0.300 1 166 22 22 PHE H H 8.655 0.030 1 167 22 22 PHE CA C 57.484 0.300 1 168 22 22 PHE HA H 4.682 0.030 1 169 22 22 PHE CB C 44.042 0.300 1 170 22 22 PHE HB2 H 2.653 0.030 2 171 22 22 PHE HB3 H 3.132 0.030 2 172 22 22 PHE CD1 C 131.978 0.300 1 173 22 22 PHE HD1 H 7.148 0.030 1 174 22 22 PHE CD2 C 131.978 0.300 1 175 22 22 PHE HD2 H 7.148 0.030 1 176 22 22 PHE CE1 C 130.713 0.300 1 177 22 22 PHE HE1 H 6.753 0.030 1 178 22 22 PHE CE2 C 130.713 0.300 1 179 22 22 PHE HE2 H 6.753 0.030 1 180 22 22 PHE CZ C 128.523 0.300 1 181 22 22 PHE HZ H 6.132 0.030 1 182 22 22 PHE C C 175.277 0.300 1 183 23 23 SER CA C 58.896 0.300 1 184 23 23 SER HA H 4.571 0.030 1 185 23 23 SER CB C 63.524 0.300 1 186 23 23 SER HB2 H 4.050 0.030 2 187 23 23 SER HB3 H 3.965 0.030 2 188 23 23 SER C C 174.297 0.300 1 189 24 24 GLY N N 109.456 0.300 1 190 24 24 GLY H H 7.551 0.030 1 191 24 24 GLY CA C 44.838 0.300 1 192 24 24 GLY HA2 H 4.047 0.030 2 193 24 24 GLY HA3 H 3.727 0.030 2 194 24 24 GLY C C 172.500 0.300 1 195 25 25 SER N N 115.599 0.300 1 196 25 25 SER H H 8.260 0.030 1 197 25 25 SER CA C 60.846 0.300 1 198 25 25 SER HA H 3.496 0.030 1 199 25 25 SER CB C 62.665 0.300 1 200 25 25 SER HB2 H 3.730 0.030 2 201 25 25 SER HB3 H 3.614 0.030 2 202 25 25 SER C C 176.919 0.300 1 203 26 26 TYR CA C 61.467 0.300 1 204 26 26 TYR HA H 4.248 0.030 1 205 26 26 TYR CB C 37.421 0.300 1 206 26 26 TYR HB2 H 2.932 0.030 2 207 26 26 TYR HB3 H 3.158 0.030 2 208 26 26 TYR CD1 C 133.034 0.300 1 209 26 26 TYR HD1 H 7.042 0.030 1 210 26 26 TYR CD2 C 133.034 0.300 1 211 26 26 TYR HD2 H 7.042 0.030 1 212 26 26 TYR CE1 C 118.205 0.300 1 213 26 26 TYR HE1 H 6.760 0.030 1 214 26 26 TYR CE2 C 118.205 0.300 1 215 26 26 TYR HE2 H 6.760 0.030 1 216 26 26 TYR C C 177.866 0.300 1 217 27 27 ARG N N 118.122 0.300 1 218 27 27 ARG H H 8.045 0.030 1 219 27 27 ARG CA C 58.511 0.300 1 220 27 27 ARG HA H 3.782 0.030 1 221 27 27 ARG CB C 29.795 0.300 1 222 27 27 ARG HB2 H 1.847 0.030 1 223 27 27 ARG HB3 H 1.847 0.030 1 224 27 27 ARG CG C 28.349 0.300 1 225 27 27 ARG HG2 H 1.774 0.030 2 226 27 27 ARG HG3 H 1.918 0.030 2 227 27 27 ARG CD C 43.059 0.300 1 228 27 27 ARG HD2 H 3.358 0.030 1 229 27 27 ARG HD3 H 3.358 0.030 1 230 27 27 ARG C C 179.215 0.300 1 231 28 28 LEU N N 120.580 0.300 1 232 28 28 LEU H H 7.278 0.030 1 233 28 28 LEU CA C 58.166 0.300 1 234 28 28 LEU HA H 3.418 0.030 1 235 28 28 LEU CB C 40.627 0.300 1 236 28 28 LEU HB2 H 1.298 0.030 2 237 28 28 LEU HB3 H 1.929 0.030 2 238 28 28 LEU CG C 27.297 0.300 1 239 28 28 LEU HG H 1.424 0.030 1 240 28 28 LEU CD1 C 22.549 0.300 2 241 28 28 LEU HD1 H 0.977 0.030 1 242 28 28 LEU CD2 C 26.285 0.300 2 243 28 28 LEU HD2 H 0.999 0.030 1 244 28 28 LEU C C 177.435 0.300 1 245 29 29 THR N N 116.295 0.300 1 246 29 29 THR H H 8.312 0.030 1 247 29 29 THR CA C 66.882 0.300 1 248 29 29 THR HA H 3.772 0.030 1 249 29 29 THR CB C 68.537 0.300 1 250 29 29 THR HB H 4.181 0.030 1 251 29 29 THR CG2 C 21.706 0.300 1 252 29 29 THR HG2 H 1.189 0.030 1 253 29 29 THR C C 176.805 0.300 1 254 30 30 GLN N N 118.689 0.300 1 255 30 30 GLN H H 7.785 0.030 1 256 30 30 GLN CA C 58.073 0.300 1 257 30 30 GLN HA H 3.872 0.030 1 258 30 30 GLN CB C 28.779 0.300 1 259 30 30 GLN HB2 H 1.909 0.030 2 260 30 30 GLN HB3 H 1.781 0.030 2 261 30 30 GLN CG C 33.824 0.300 1 262 30 30 GLN HG2 H 2.017 0.030 2 263 30 30 GLN HG3 H 1.866 0.030 2 264 30 30 GLN NE2 N 113.200 0.300 1 265 30 30 GLN HE21 H 7.042 0.030 2 266 30 30 GLN HE22 H 6.833 0.030 2 267 30 30 GLN C C 178.292 0.300 1 268 31 31 HIS N N 118.694 0.300 1 269 31 31 HIS H H 7.558 0.030 1 270 31 31 HIS CA C 58.746 0.300 1 271 31 31 HIS HA H 4.210 0.030 1 272 31 31 HIS CB C 27.916 0.300 1 273 31 31 HIS HB2 H 2.549 0.030 2 274 31 31 HIS HB3 H 2.989 0.030 2 275 31 31 HIS CD2 C 127.170 0.300 1 276 31 31 HIS HD2 H 6.822 0.030 1 277 31 31 HIS CE1 C 139.096 0.300 1 278 31 31 HIS HE1 H 7.908 0.030 1 279 31 31 HIS C C 177.522 0.300 1 280 32 32 TRP N N 122.468 0.300 1 281 32 32 TRP H H 8.802 0.030 1 282 32 32 TRP CA C 61.090 0.300 1 283 32 32 TRP HA H 4.042 0.030 1 284 32 32 TRP CB C 29.312 0.300 1 285 32 32 TRP HB2 H 3.468 0.030 2 286 32 32 TRP HB3 H 3.400 0.030 2 287 32 32 TRP CD1 C 126.171 0.300 1 288 32 32 TRP HD1 H 7.415 0.030 1 289 32 32 TRP NE1 N 128.764 0.300 1 290 32 32 TRP HE1 H 10.163 0.030 1 291 32 32 TRP CE3 C 120.649 0.300 1 292 32 32 TRP HE3 H 7.805 0.030 1 293 32 32 TRP CZ2 C 114.978 0.300 1 294 32 32 TRP HZ2 H 7.614 0.030 1 295 32 32 TRP CZ3 C 122.383 0.300 1 296 32 32 TRP HZ3 H 7.199 0.030 1 297 32 32 TRP CH2 C 124.820 0.300 1 298 32 32 TRP HH2 H 7.223 0.030 1 299 32 32 TRP C C 177.947 0.300 1 300 33 33 ILE N N 116.053 0.300 1 301 33 33 ILE H H 7.288 0.030 1 302 33 33 ILE CA C 63.891 0.300 1 303 33 33 ILE HA H 3.827 0.030 1 304 33 33 ILE CB C 38.065 0.300 1 305 33 33 ILE HB H 1.922 0.030 1 306 33 33 ILE CG1 C 28.248 0.300 1 307 33 33 ILE HG12 H 1.270 0.030 2 308 33 33 ILE HG13 H 1.621 0.030 2 309 33 33 ILE CG2 C 17.366 0.300 1 310 33 33 ILE HG2 H 0.934 0.030 1 311 33 33 ILE CD1 C 13.405 0.300 1 312 33 33 ILE HD1 H 0.887 0.030 1 313 33 33 ILE C C 177.979 0.300 1 314 34 34 THR N N 111.457 0.300 1 315 34 34 THR H H 7.640 0.030 1 316 34 34 THR CA C 64.307 0.300 1 317 34 34 THR HA H 3.990 0.030 1 318 34 34 THR CB C 69.088 0.300 1 319 34 34 THR HB H 3.947 0.030 1 320 34 34 THR CG2 C 20.941 0.300 1 321 34 34 THR HG2 H 1.128 0.030 1 322 34 34 THR C C 175.690 0.300 1 323 35 35 HIS N N 118.326 0.300 1 324 35 35 HIS H H 7.247 0.030 1 325 35 35 HIS CA C 55.628 0.300 1 326 35 35 HIS HA H 4.735 0.030 1 327 35 35 HIS CB C 28.391 0.300 1 328 35 35 HIS HB2 H 3.057 0.030 2 329 35 35 HIS HB3 H 2.780 0.030 2 330 35 35 HIS CD2 C 126.949 0.300 1 331 35 35 HIS HD2 H 6.229 0.030 1 332 35 35 HIS CE1 C 139.571 0.300 1 333 35 35 HIS HE1 H 7.952 0.030 1 334 35 35 HIS C C 175.573 0.300 1 335 36 36 THR N N 113.348 0.300 1 336 36 36 THR H H 7.747 0.030 1 337 36 36 THR CA C 62.742 0.300 1 338 36 36 THR HA H 4.251 0.030 1 339 36 36 THR CB C 69.711 0.300 1 340 36 36 THR HB H 4.244 0.030 1 341 36 36 THR CG2 C 21.544 0.300 1 342 36 36 THR HG2 H 1.157 0.030 1 343 36 36 THR C C 174.653 0.300 1 344 37 37 ARG N N 122.448 0.300 1 345 37 37 ARG H H 8.143 0.030 1 346 37 37 ARG CA C 56.220 0.300 1 347 37 37 ARG HA H 4.335 0.030 1 348 37 37 ARG CB C 30.719 0.300 1 349 37 37 ARG HB2 H 1.873 0.030 2 350 37 37 ARG HB3 H 1.765 0.030 2 351 37 37 ARG CG C 27.041 0.300 1 352 37 37 ARG HG2 H 1.614 0.030 1 353 37 37 ARG HG3 H 1.614 0.030 1 354 37 37 ARG CD C 43.340 0.300 1 355 37 37 ARG HD2 H 3.145 0.030 1 356 37 37 ARG HD3 H 3.145 0.030 1 357 37 37 ARG C C 176.124 0.300 1 358 38 38 GLU N N 121.219 0.300 1 359 38 38 GLU H H 8.216 0.030 1 360 38 38 GLU CA C 56.497 0.300 1 361 38 38 GLU HA H 4.255 0.030 1 362 38 38 GLU CB C 30.410 0.300 1 363 38 38 GLU HB2 H 2.017 0.030 2 364 38 38 GLU HB3 H 1.931 0.030 2 365 38 38 GLU CG C 36.387 0.300 1 366 38 38 GLU HG2 H 2.269 0.030 2 367 38 38 GLU HG3 H 2.238 0.030 2 368 38 38 GLU C C 176.132 0.300 1 369 39 39 LYS N N 123.433 0.300 1 370 39 39 LYS H H 8.290 0.030 1 371 39 39 LYS CA C 54.206 0.300 1 372 39 39 LYS HA H 4.575 0.030 1 373 39 39 LYS CB C 32.516 0.300 1 374 39 39 LYS HB2 H 1.811 0.030 2 375 39 39 LYS HB3 H 1.721 0.030 2 376 39 39 LYS CG C 24.508 0.300 1 377 39 39 LYS HG2 H 1.456 0.030 1 378 39 39 LYS HG3 H 1.456 0.030 1 379 39 39 LYS CD C 29.285 0.300 1 380 39 39 LYS CE C 42.152 0.300 1 381 39 39 LYS HE2 H 2.971 0.030 2 382 39 39 LYS C C 174.396 0.300 1 383 40 40 PRO CA C 63.205 0.300 1 384 40 40 PRO HA H 4.463 0.030 1 385 40 40 PRO CB C 32.160 0.300 1 386 40 40 PRO HB2 H 2.305 0.030 2 387 40 40 PRO HB3 H 1.938 0.030 2 388 40 40 PRO CG C 27.373 0.300 1 389 40 40 PRO HG2 H 2.015 0.030 1 390 40 40 PRO HG3 H 2.015 0.030 1 391 40 40 PRO CD C 50.699 0.300 1 392 40 40 PRO HD2 H 3.816 0.030 2 393 40 40 PRO HD3 H 3.635 0.030 2 stop_ save_