data_10177 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 687-719) of human Zinc finger protein 484 ; _BMRB_accession_number 10177 _BMRB_flat_file_name bmr10177.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" 197 "13C chemical shifts" 148 "15N chemical shifts" 30 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 687-719) of human Zinc finger protein 484 ; _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 484' _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 ; GSSGSSGTGERHYECSECGK AFARKSTLIMHQRIHTGEKP 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 ARG 12 HIS 13 TYR 14 GLU 15 CYS 16 SER 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ALA 24 ARG 25 LYS 26 SER 27 THR 28 LEU 29 ILE 30 MET 31 HIS 32 GLN 33 ARG 34 ILE 35 HIS 36 THR 37 GLY 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 2YTP "Solution Structure Of The C2h2 Type Zinc Finger (Region 687- 719) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 4.46e-23 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 P070115-49 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 . NaCl 100 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 700 _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 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_ _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 7 7 GLY CA C 45.453 0.300 1 2 7 7 GLY HA2 H 4.042 0.030 1 3 7 7 GLY HA3 H 4.042 0.030 1 4 7 7 GLY C C 174.573 0.300 1 5 8 8 THR N N 112.804 0.300 1 6 8 8 THR H H 8.143 0.030 1 7 8 8 THR CA C 62.075 0.300 1 8 8 8 THR HA H 4.367 0.030 1 9 8 8 THR CB C 69.768 0.300 1 10 8 8 THR HB H 4.298 0.030 1 11 8 8 THR CG2 C 21.510 0.300 1 12 8 8 THR HG2 H 1.181 0.030 1 13 8 8 THR C C 175.337 0.300 1 14 9 9 GLY N N 110.991 0.300 1 15 9 9 GLY H H 8.462 0.030 1 16 9 9 GLY CA C 45.399 0.300 1 17 9 9 GLY HA2 H 4.023 0.030 2 18 9 9 GLY HA3 H 3.951 0.030 2 19 9 9 GLY C C 174.073 0.300 1 20 10 10 GLU N N 120.581 0.300 1 21 10 10 GLU H H 8.079 0.030 1 22 10 10 GLU CA C 56.456 0.300 1 23 10 10 GLU HA H 4.242 0.030 1 24 10 10 GLU CB C 30.527 0.300 1 25 10 10 GLU HB2 H 1.902 0.030 2 26 10 10 GLU HB3 H 1.989 0.030 2 27 10 10 GLU CG C 36.291 0.300 1 28 10 10 GLU HG2 H 2.258 0.030 2 29 10 10 GLU HG3 H 2.206 0.030 2 30 10 10 GLU C C 176.271 0.300 1 31 11 11 ARG N N 122.007 0.300 1 32 11 11 ARG H H 8.340 0.030 1 33 11 11 ARG CA C 55.538 0.300 1 34 11 11 ARG HA H 4.226 0.030 1 35 11 11 ARG CB C 30.611 0.300 1 36 11 11 ARG HB2 H 1.634 0.030 1 37 11 11 ARG HB3 H 1.634 0.030 1 38 11 11 ARG CG C 26.937 0.300 1 39 11 11 ARG HG2 H 1.482 0.030 2 40 11 11 ARG HG3 H 1.436 0.030 2 41 11 11 ARG CD C 43.333 0.300 1 42 11 11 ARG HD2 H 3.109 0.030 1 43 11 11 ARG HD3 H 3.109 0.030 1 44 11 11 ARG C C 174.992 0.300 1 45 12 12 HIS N N 119.313 0.300 1 46 12 12 HIS H H 7.928 0.030 1 47 12 12 HIS CA C 55.443 0.300 1 48 12 12 HIS HA H 4.611 0.030 1 49 12 12 HIS CB C 31.542 0.300 1 50 12 12 HIS HB2 H 2.884 0.030 2 51 12 12 HIS HB3 H 2.835 0.030 2 52 12 12 HIS CD2 C 119.192 0.300 1 53 12 12 HIS HD2 H 6.800 0.030 1 54 12 12 HIS CE1 C 137.944 0.300 1 55 12 12 HIS HE1 H 7.928 0.030 1 56 12 12 HIS C C 173.859 0.300 1 57 13 13 TYR N N 120.629 0.300 1 58 13 13 TYR H H 8.698 0.030 1 59 13 13 TYR CA C 57.583 0.300 1 60 13 13 TYR HA H 4.619 0.030 1 61 13 13 TYR CB C 39.470 0.300 1 62 13 13 TYR HB2 H 2.756 0.030 2 63 13 13 TYR HB3 H 3.003 0.030 2 64 13 13 TYR CD1 C 133.306 0.300 1 65 13 13 TYR HD1 H 7.009 0.030 1 66 13 13 TYR CD2 C 133.306 0.300 1 67 13 13 TYR HD2 H 7.009 0.030 1 68 13 13 TYR CE1 C 118.245 0.300 1 69 13 13 TYR HE1 H 6.842 0.030 1 70 13 13 TYR CE2 C 118.245 0.300 1 71 13 13 TYR HE2 H 6.842 0.030 1 72 13 13 TYR C C 174.783 0.300 1 73 14 14 GLU N N 123.865 0.300 1 74 14 14 GLU H H 8.733 0.030 1 75 14 14 GLU CA C 55.094 0.300 1 76 14 14 GLU HA H 4.934 0.030 1 77 14 14 GLU CB C 32.824 0.300 1 78 14 14 GLU HB2 H 1.820 0.030 1 79 14 14 GLU HB3 H 1.820 0.030 1 80 14 14 GLU CG C 36.685 0.300 1 81 14 14 GLU HG2 H 1.993 0.030 2 82 14 14 GLU HG3 H 1.961 0.030 2 83 14 14 GLU C C 175.407 0.300 1 84 15 15 CYS N N 126.550 0.300 1 85 15 15 CYS H H 9.243 0.030 1 86 15 15 CYS CA C 59.494 0.300 1 87 15 15 CYS HA H 4.591 0.030 1 88 15 15 CYS CB C 29.721 0.300 1 89 15 15 CYS HB2 H 3.426 0.030 2 90 15 15 CYS HB3 H 2.889 0.030 2 91 15 15 CYS C C 177.448 0.300 1 92 16 16 SER CA C 60.991 0.300 1 93 16 16 SER HA H 4.281 0.030 1 94 16 16 SER CB C 63.004 0.300 1 95 16 16 SER HB2 H 4.051 0.030 2 96 16 16 SER HB3 H 4.001 0.030 2 97 16 16 SER C C 174.576 0.300 1 98 17 17 GLU N N 122.766 0.300 1 99 17 17 GLU H H 8.641 0.030 1 100 17 17 GLU CA C 58.039 0.300 1 101 17 17 GLU HA H 4.246 0.030 1 102 17 17 GLU CB C 29.583 0.300 1 103 17 17 GLU HB2 H 1.330 0.030 1 104 17 17 GLU HB3 H 1.330 0.030 1 105 17 17 GLU CG C 35.734 0.300 1 106 17 17 GLU HG2 H 1.893 0.030 2 107 17 17 GLU HG3 H 1.797 0.030 2 108 17 17 GLU C C 177.145 0.300 1 109 18 18 CYS N N 114.540 0.300 1 110 18 18 CYS H H 7.881 0.030 1 111 18 18 CYS CA C 58.403 0.300 1 112 18 18 CYS HA H 5.164 0.030 1 113 18 18 CYS CB C 32.532 0.300 1 114 18 18 CYS HB2 H 2.858 0.030 2 115 18 18 CYS HB3 H 3.442 0.030 2 116 18 18 CYS C C 176.314 0.300 1 117 19 19 GLY N N 113.441 0.300 1 118 19 19 GLY H H 8.210 0.030 1 119 19 19 GLY CA C 46.213 0.300 1 120 19 19 GLY HA2 H 3.866 0.030 2 121 19 19 GLY HA3 H 4.209 0.030 2 122 19 19 GLY C C 173.754 0.300 1 123 20 20 LYS N N 122.503 0.300 1 124 20 20 LYS H H 7.874 0.030 1 125 20 20 LYS CA C 57.935 0.300 1 126 20 20 LYS HA H 3.953 0.030 1 127 20 20 LYS CB C 33.881 0.300 1 128 20 20 LYS HB2 H 1.409 0.030 2 129 20 20 LYS HB3 H 1.214 0.030 2 130 20 20 LYS CG C 26.267 0.300 1 131 20 20 LYS HG2 H 1.117 0.030 2 132 20 20 LYS HG3 H 1.446 0.030 2 133 20 20 LYS CD C 29.273 0.300 1 134 20 20 LYS HD2 H 1.537 0.030 2 135 20 20 LYS HD3 H 1.478 0.030 2 136 20 20 LYS CE C 42.242 0.300 1 137 20 20 LYS HE2 H 2.998 0.030 2 138 20 20 LYS HE3 H 2.940 0.030 2 139 20 20 LYS C C 173.729 0.300 1 140 21 21 ALA N N 123.153 0.300 1 141 21 21 ALA H H 7.808 0.030 1 142 21 21 ALA CA C 50.379 0.300 1 143 21 21 ALA HA H 5.019 0.030 1 144 21 21 ALA CB C 21.933 0.300 1 145 21 21 ALA HB H 1.074 0.030 1 146 21 21 ALA C C 176.429 0.300 1 147 22 22 PHE N N 117.263 0.300 1 148 22 22 PHE H H 8.627 0.030 1 149 22 22 PHE CA C 57.115 0.300 1 150 22 22 PHE HA H 4.730 0.030 1 151 22 22 PHE CB C 43.753 0.300 1 152 22 22 PHE HB2 H 3.376 0.030 2 153 22 22 PHE HB3 H 2.624 0.030 2 154 22 22 PHE CD1 C 132.540 0.300 1 155 22 22 PHE HD1 H 7.201 0.030 1 156 22 22 PHE CD2 C 132.540 0.300 1 157 22 22 PHE HD2 H 7.201 0.030 1 158 22 22 PHE CE1 C 130.531 0.300 1 159 22 22 PHE HE1 H 6.806 0.030 1 160 22 22 PHE CE2 C 130.531 0.300 1 161 22 22 PHE HE2 H 6.806 0.030 1 162 22 22 PHE CZ C 128.605 0.300 1 163 22 22 PHE HZ H 6.139 0.030 1 164 22 22 PHE C C 175.254 0.300 1 165 23 23 ALA CA C 53.560 0.300 1 166 23 23 ALA HA H 4.507 0.030 1 167 23 23 ALA CB C 19.794 0.300 1 168 23 23 ALA HB H 1.562 0.030 1 169 23 23 ALA C C 177.450 0.300 1 170 24 24 ARG N N 113.263 0.300 1 171 24 24 ARG H H 7.468 0.030 1 172 24 24 ARG CA C 53.899 0.300 1 173 24 24 ARG HA H 4.741 0.030 1 174 24 24 ARG CB C 33.416 0.300 1 175 24 24 ARG HB2 H 1.980 0.030 2 176 24 24 ARG HB3 H 1.876 0.030 2 177 24 24 ARG CG C 27.117 0.300 1 178 24 24 ARG HG2 H 1.691 0.030 1 179 24 24 ARG HG3 H 1.691 0.030 1 180 24 24 ARG CD C 43.622 0.300 1 181 24 24 ARG HD2 H 3.257 0.030 2 182 24 24 ARG HD3 H 3.198 0.030 2 183 24 24 ARG C C 175.564 0.300 1 184 25 25 LYS CA C 59.220 0.300 1 185 25 25 LYS HA H 3.118 0.030 1 186 25 25 LYS CB C 31.720 0.300 1 187 25 25 LYS HB2 H 1.053 0.030 2 188 25 25 LYS HB3 H 1.525 0.030 2 189 25 25 LYS CG C 24.920 0.300 1 190 25 25 LYS HG2 H 1.036 0.030 2 191 25 25 LYS HG3 H 1.208 0.030 2 192 25 25 LYS CD C 29.179 0.300 1 193 25 25 LYS HD2 H 1.586 0.030 2 194 25 25 LYS HD3 H 1.536 0.030 2 195 25 25 LYS CE C 42.045 0.300 1 196 25 25 LYS HE2 H 2.865 0.030 2 197 25 25 LYS HE3 H 2.911 0.030 2 198 25 25 LYS C C 178.185 0.300 1 199 26 26 SER N N 112.513 0.300 1 200 26 26 SER H H 8.477 0.030 1 201 26 26 SER CA C 61.122 0.300 1 202 26 26 SER HA H 3.915 0.030 1 203 26 26 SER CB C 61.354 0.300 1 204 26 26 SER HB2 H 3.841 0.030 1 205 26 26 SER HB3 H 3.841 0.030 1 206 26 26 SER C C 177.077 0.300 1 207 27 27 THR N N 117.989 0.300 1 208 27 27 THR H H 6.929 0.030 1 209 27 27 THR CA C 65.178 0.300 1 210 27 27 THR HA H 3.875 0.030 1 211 27 27 THR CB C 67.995 0.300 1 212 27 27 THR HB H 4.112 0.030 1 213 27 27 THR CG2 C 24.308 0.300 1 214 27 27 THR HG2 H 1.285 0.030 1 215 27 27 THR C C 176.325 0.300 1 216 28 28 LEU N N 123.865 0.300 1 217 28 28 LEU H H 7.075 0.030 1 218 28 28 LEU CA C 58.313 0.300 1 219 28 28 LEU HA H 3.255 0.030 1 220 28 28 LEU CB C 40.195 0.300 1 221 28 28 LEU HB2 H 1.289 0.030 2 222 28 28 LEU HB3 H 2.108 0.030 2 223 28 28 LEU CG C 27.574 0.300 1 224 28 28 LEU HG H 1.494 0.030 1 225 28 28 LEU CD1 C 26.611 0.300 2 226 28 28 LEU HD1 H 0.982 0.030 1 227 28 28 LEU CD2 C 23.041 0.300 2 228 28 28 LEU HD2 H 1.025 0.030 1 229 28 28 LEU C C 177.531 0.300 1 230 29 29 ILE N N 119.337 0.300 1 231 29 29 ILE H H 8.208 0.030 1 232 29 29 ILE CA C 64.671 0.300 1 233 29 29 ILE HA H 3.738 0.030 1 234 29 29 ILE CB C 37.489 0.300 1 235 29 29 ILE HB H 1.802 0.030 1 236 29 29 ILE CG1 C 28.925 0.300 1 237 29 29 ILE HG12 H 1.550 0.030 2 238 29 29 ILE HG13 H 1.207 0.030 2 239 29 29 ILE CG2 C 17.150 0.300 1 240 29 29 ILE HG2 H 0.858 0.030 1 241 29 29 ILE CD1 C 12.693 0.300 1 242 29 29 ILE HD1 H 0.756 0.030 1 243 29 29 ILE C C 179.113 0.300 1 244 30 30 MET N N 117.854 0.300 1 245 30 30 MET H H 7.452 0.030 1 246 30 30 MET CA C 58.365 0.300 1 247 30 30 MET HA H 4.111 0.030 1 248 30 30 MET CB C 32.273 0.300 1 249 30 30 MET HB2 H 2.077 0.030 1 250 30 30 MET HB3 H 2.077 0.030 1 251 30 30 MET CG C 32.102 0.300 1 252 30 30 MET HG2 H 2.650 0.030 2 253 30 30 MET HG3 H 2.556 0.030 2 254 30 30 MET CE C 16.937 0.300 1 255 30 30 MET HE H 2.062 0.030 1 256 30 30 MET C C 178.944 0.300 1 257 31 31 HIS N N 120.334 0.300 1 258 31 31 HIS H H 7.948 0.030 1 259 31 31 HIS CA C 59.151 0.300 1 260 31 31 HIS HA H 4.157 0.030 1 261 31 31 HIS CB C 28.008 0.300 1 262 31 31 HIS HB2 H 3.214 0.030 2 263 31 31 HIS HB3 H 2.818 0.030 2 264 31 31 HIS CD2 C 127.248 0.300 1 265 31 31 HIS HD2 H 6.936 0.030 1 266 31 31 HIS CE1 C 139.489 0.300 1 267 31 31 HIS HE1 H 8.039 0.030 1 268 31 31 HIS C C 176.320 0.300 1 269 32 32 GLN N N 115.623 0.300 1 270 32 32 GLN H H 8.424 0.030 1 271 32 32 GLN CA C 59.493 0.300 1 272 32 32 GLN HA H 3.663 0.030 1 273 32 32 GLN CB C 28.305 0.300 1 274 32 32 GLN HB2 H 2.335 0.030 2 275 32 32 GLN HB3 H 2.227 0.030 2 276 32 32 GLN CG C 35.780 0.300 1 277 32 32 GLN HG2 H 2.909 0.030 2 278 32 32 GLN HG3 H 2.846 0.030 2 279 32 32 GLN NE2 N 111.887 0.300 1 280 32 32 GLN HE21 H 6.931 0.030 2 281 32 32 GLN HE22 H 7.655 0.030 2 282 32 32 GLN C C 177.429 0.300 1 283 33 33 ARG N N 117.693 0.300 1 284 33 33 ARG H H 7.178 0.030 1 285 33 33 ARG CA C 58.554 0.300 1 286 33 33 ARG HA H 4.136 0.030 1 287 33 33 ARG CB C 30.111 0.300 1 288 33 33 ARG HB2 H 1.885 0.030 2 289 33 33 ARG HB3 H 1.798 0.030 2 290 33 33 ARG CG C 27.589 0.300 1 291 33 33 ARG HG2 H 1.679 0.030 2 292 33 33 ARG HG3 H 1.885 0.030 2 293 33 33 ARG CD C 43.663 0.300 1 294 33 33 ARG HD2 H 3.204 0.030 1 295 33 33 ARG HD3 H 3.204 0.030 1 296 33 33 ARG C C 178.642 0.300 1 297 34 34 ILE N N 116.231 0.300 1 298 34 34 ILE H H 7.835 0.030 1 299 34 34 ILE CA C 63.054 0.300 1 300 34 34 ILE HA H 3.974 0.030 1 301 34 34 ILE CB C 37.687 0.300 1 302 34 34 ILE HB H 1.683 0.030 1 303 34 34 ILE CG1 C 26.675 0.300 1 304 34 34 ILE HG12 H 0.934 0.030 2 305 34 34 ILE HG13 H 0.760 0.030 2 306 34 34 ILE CG2 C 16.475 0.300 1 307 34 34 ILE HG2 H 0.571 0.030 1 308 34 34 ILE CD1 C 14.368 0.300 1 309 34 34 ILE HD1 H 0.701 0.030 1 310 34 34 ILE C C 177.429 0.300 1 311 35 35 HIS N N 117.721 0.300 1 312 35 35 HIS H H 7.202 0.030 1 313 35 35 HIS CA C 55.257 0.300 1 314 35 35 HIS HA H 4.853 0.030 1 315 35 35 HIS CB C 28.493 0.300 1 316 35 35 HIS HB2 H 3.355 0.030 2 317 35 35 HIS HB3 H 3.236 0.030 2 318 35 35 HIS CD2 C 127.632 0.300 1 319 35 35 HIS HD2 H 6.742 0.030 1 320 35 35 HIS CE1 C 140.119 0.300 1 321 35 35 HIS HE1 H 8.067 0.030 1 322 35 35 HIS C C 175.814 0.300 1 323 36 36 THR N N 111.765 0.300 1 324 36 36 THR H H 7.763 0.030 1 325 36 36 THR CA C 62.569 0.300 1 326 36 36 THR HA H 4.350 0.030 1 327 36 36 THR CB C 69.804 0.300 1 328 36 36 THR HB H 4.321 0.030 1 329 36 36 THR CG2 C 21.608 0.300 1 330 36 36 THR HG2 H 1.240 0.030 1 331 36 36 THR C C 175.474 0.300 1 332 37 37 GLY N N 110.608 0.300 1 333 37 37 GLY H H 8.218 0.030 1 334 37 37 GLY CA C 45.399 0.300 1 335 37 37 GLY HA2 H 3.955 0.030 2 336 37 37 GLY HA3 H 4.026 0.030 2 337 37 37 GLY C C 174.038 0.300 1 338 38 38 GLU N N 120.485 0.300 1 339 38 38 GLU H H 8.221 0.030 1 340 38 38 GLU CA C 56.456 0.300 1 341 38 38 GLU HA H 4.219 0.030 1 342 38 38 GLU CB C 30.482 0.300 1 343 38 38 GLU HB2 H 1.850 0.030 2 344 38 38 GLU HB3 H 1.948 0.030 2 345 38 38 GLU CG C 36.225 0.300 1 346 38 38 GLU HG2 H 2.216 0.030 2 347 38 38 GLU C C 176.231 0.300 1 348 39 39 LYS N N 123.785 0.300 1 349 39 39 LYS H H 8.387 0.030 1 350 39 39 LYS CA C 54.108 0.300 1 351 39 39 LYS HA H 4.607 0.030 1 352 39 39 LYS CB C 32.499 0.300 1 353 39 39 LYS HB2 H 1.726 0.030 2 354 39 39 LYS HB3 H 1.823 0.030 2 355 39 39 LYS CG C 24.508 0.300 1 356 39 39 LYS HG2 H 1.464 0.030 1 357 39 39 LYS HG3 H 1.464 0.030 1 358 39 39 LYS CD C 29.122 0.300 1 359 39 39 LYS HD2 H 1.693 0.030 1 360 39 39 LYS HD3 H 1.693 0.030 1 361 39 39 LYS CE C 42.267 0.300 1 362 39 39 LYS HE2 H 2.998 0.030 1 363 39 39 LYS HE3 H 2.998 0.030 1 364 39 39 LYS C C 174.519 0.300 1 365 40 40 PRO CA C 63.238 0.300 1 366 40 40 PRO HA H 4.463 0.030 1 367 40 40 PRO CB C 32.180 0.300 1 368 40 40 PRO HB2 H 2.307 0.030 2 369 40 40 PRO HB3 H 1.939 0.030 2 370 40 40 PRO CG C 27.343 0.300 1 371 40 40 PRO HG2 H 2.016 0.030 1 372 40 40 PRO HG3 H 2.016 0.030 1 373 40 40 PRO CD C 50.677 0.300 1 374 40 40 PRO HD2 H 3.815 0.030 2 375 40 40 PRO HD3 H 3.644 0.030 2 stop_ save_