data_10189 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 341-373) of human Zinc finger protein 95 homolog ; _BMRB_accession_number 10189 _BMRB_flat_file_name bmr10189.str _Entry_type original _Submission_date 2008-02-19 _Accession_date 2008-02-19 _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" 223 "13C chemical shifts" 164 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-27 original author . stop_ _Original_release_date 2009-02-27 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 341-373) of human Zinc finger protein 95 homolog ; _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 95 homolog' _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 ; GSSGSSGHGERGHRCSDCGK FFLQASNFIQHRRIHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 HIS 9 GLY 10 GLU 11 ARG 12 GLY 13 HIS 14 ARG 15 CYS 16 SER 17 ASP 18 CYS 19 GLY 20 LYS 21 PHE 22 PHE 23 LEU 24 GLN 25 ALA 26 SER 27 ASN 28 PHE 29 ILE 30 GLN 31 HIS 32 ARG 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 2EOM "Solution Structure Of The C2h2 Type Zinc Finger (Region 341- 373) Of Human Zinc Finger Protein 95 Homolog" 100.00 46 100.00 100.00 6.37e-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 P061225-11 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 '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 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 8 8 HIS CA C 56.329 0.300 1 2 8 8 HIS HA H 4.628 0.030 1 3 8 8 HIS CB C 30.709 0.300 1 4 8 8 HIS HB3 H 3.143 0.030 2 5 8 8 HIS CD2 C 119.936 0.300 1 6 8 8 HIS HD2 H 7.002 0.030 1 7 8 8 HIS CE1 C 138.222 0.300 1 8 8 8 HIS HE1 H 7.896 0.030 1 9 8 8 HIS HB2 H 3.035 0.030 2 10 9 9 GLY CA C 45.330 0.300 1 11 9 9 GLY HA3 H 3.909 0.030 1 12 9 9 GLY C C 174.145 0.300 1 13 9 9 GLY HA2 H 3.909 0.030 1 14 10 10 GLU N N 120.846 0.300 1 15 10 10 GLU H H 8.353 0.030 1 16 10 10 GLU CA C 56.524 0.300 1 17 10 10 GLU HA H 4.225 0.030 1 18 10 10 GLU CB C 30.384 0.300 1 19 10 10 GLU HB3 H 1.861 0.030 2 20 10 10 GLU CG C 36.262 0.300 1 21 10 10 GLU HG3 H 2.201 0.030 1 22 10 10 GLU C C 176.348 0.300 1 23 10 10 GLU HB2 H 1.979 0.030 2 24 10 10 GLU HG2 H 2.201 0.030 1 25 11 11 ARG N N 121.539 0.300 1 26 11 11 ARG H H 8.281 0.030 1 27 11 11 ARG CA C 56.005 0.300 1 28 11 11 ARG HA H 4.316 0.030 1 29 11 11 ARG CB C 31.130 0.300 1 30 11 11 ARG HB3 H 1.671 0.030 2 31 11 11 ARG CG C 27.067 0.300 1 32 11 11 ARG HG3 H 1.532 0.030 2 33 11 11 ARG CD C 43.381 0.300 1 34 11 11 ARG HD3 H 3.102 0.030 1 35 11 11 ARG C C 176.001 0.300 1 36 11 11 ARG HB2 H 1.758 0.030 2 37 11 11 ARG HD2 H 3.102 0.030 1 38 11 11 ARG HG2 H 1.597 0.030 2 39 12 12 GLY N N 107.819 0.300 1 40 12 12 GLY H H 8.075 0.030 1 41 12 12 GLY CA C 44.814 0.300 1 42 12 12 GLY HA3 H 4.014 0.030 2 43 12 12 GLY C C 172.193 0.300 1 44 12 12 GLY HA2 H 3.651 0.030 2 45 13 13 HIS N N 119.279 0.300 1 46 13 13 HIS H H 8.024 0.030 1 47 13 13 HIS CA C 55.118 0.300 1 48 13 13 HIS HA H 4.235 0.030 1 49 13 13 HIS CB C 31.866 0.300 1 50 13 13 HIS HB3 H 1.415 0.030 2 51 13 13 HIS CD2 C 121.298 0.300 1 52 13 13 HIS HD2 H 6.363 0.030 1 53 13 13 HIS CE1 C 138.600 0.300 1 54 13 13 HIS HE1 H 7.673 0.030 1 55 13 13 HIS C C 173.211 0.300 1 56 13 13 HIS HB2 H 2.178 0.030 2 57 14 14 ARG N N 124.116 0.300 1 58 14 14 ARG H H 8.606 0.030 1 59 14 14 ARG CA C 54.263 0.300 1 60 14 14 ARG HA H 4.820 0.030 1 61 14 14 ARG CB C 32.523 0.300 1 62 14 14 ARG HB3 H 1.670 0.030 2 63 14 14 ARG CG C 27.700 0.300 1 64 14 14 ARG HG3 H 1.087 0.030 2 65 14 14 ARG CD C 43.092 0.300 1 66 14 14 ARG HD3 H 3.042 0.030 2 67 14 14 ARG C C 175.690 0.300 1 68 14 14 ARG HB2 H 1.505 0.030 2 69 14 14 ARG HD2 H 3.137 0.030 2 70 14 14 ARG HG2 H 1.223 0.030 2 71 15 15 CYS N N 128.999 0.300 1 72 15 15 CYS H H 9.354 0.030 1 73 15 15 CYS CA C 59.902 0.300 1 74 15 15 CYS HA H 4.843 0.030 1 75 15 15 CYS CB C 30.080 0.300 1 76 15 15 CYS HB3 H 3.107 0.030 2 77 15 15 CYS C C 177.294 0.300 1 78 15 15 CYS HB2 H 3.548 0.030 2 79 16 16 SER CA C 61.138 0.300 1 80 16 16 SER HA H 4.245 0.030 1 81 16 16 SER CB C 63.060 0.300 1 82 16 16 SER HB3 H 4.041 0.030 2 83 16 16 SER C C 174.763 0.300 1 84 16 16 SER HB2 H 3.979 0.030 2 85 17 17 ASP N N 121.918 0.300 1 86 17 17 ASP H H 8.415 0.030 1 87 17 17 ASP CA C 57.173 0.300 1 88 17 17 ASP HA H 4.602 0.030 1 89 17 17 ASP CB C 41.250 0.300 1 90 17 17 ASP HB3 H 1.937 0.030 2 91 17 17 ASP C C 176.420 0.300 1 92 17 17 ASP HB2 H 1.273 0.030 2 93 18 18 CYS N N 114.553 0.300 1 94 18 18 CYS H H 7.796 0.030 1 95 18 18 CYS CA C 58.608 0.300 1 96 18 18 CYS HA H 5.206 0.030 1 97 18 18 CYS CB C 32.187 0.300 1 98 18 18 CYS HB3 H 3.468 0.030 2 99 18 18 CYS C C 176.107 0.300 1 100 18 18 CYS HB2 H 2.982 0.030 2 101 19 19 GLY N N 113.601 0.300 1 102 19 19 GLY H H 8.268 0.030 1 103 19 19 GLY CA C 46.294 0.300 1 104 19 19 GLY HA3 H 4.251 0.030 2 105 19 19 GLY C C 173.687 0.300 1 106 19 19 GLY HA2 H 3.794 0.030 2 107 20 20 LYS N N 121.922 0.300 1 108 20 20 LYS H H 7.833 0.030 1 109 20 20 LYS CA C 58.157 0.300 1 110 20 20 LYS HA H 4.133 0.030 1 111 20 20 LYS CB C 34.348 0.300 1 112 20 20 LYS HB3 H 1.399 0.030 2 113 20 20 LYS CG C 26.614 0.300 1 114 20 20 LYS HG3 H 1.207 0.030 2 115 20 20 LYS CD C 29.356 0.300 1 116 20 20 LYS HD3 H 1.547 0.030 2 117 20 20 LYS CE C 42.247 0.300 1 118 20 20 LYS HE3 H 2.986 0.030 2 119 20 20 LYS C C 174.006 0.300 1 120 20 20 LYS HB2 H 1.544 0.030 2 121 20 20 LYS HD2 H 1.617 0.030 2 122 20 20 LYS HE2 H 3.005 0.030 2 123 20 20 LYS HG2 H 1.585 0.030 2 124 21 21 PHE N N 121.592 0.300 1 125 21 21 PHE H H 8.197 0.030 1 126 21 21 PHE CA C 57.064 0.300 1 127 21 21 PHE HA H 5.118 0.030 1 128 21 21 PHE CB C 42.295 0.300 1 129 21 21 PHE HB3 H 2.759 0.030 2 130 21 21 PHE CD1 C 131.756 0.300 1 131 21 21 PHE HD1 H 6.915 0.030 1 132 21 21 PHE CD2 C 131.756 0.300 1 133 21 21 PHE HD2 H 6.915 0.030 1 134 21 21 PHE CE1 C 131.152 0.300 1 135 21 21 PHE HE1 H 7.180 0.030 1 136 21 21 PHE CE2 C 131.152 0.300 1 137 21 21 PHE HE2 H 7.180 0.030 1 138 21 21 PHE CZ C 129.315 0.300 1 139 21 21 PHE HZ H 7.128 0.030 1 140 21 21 PHE C C 174.756 0.300 1 141 21 21 PHE HB2 H 2.797 0.030 2 142 22 22 PHE N N 122.744 0.300 1 143 22 22 PHE H H 8.535 0.030 1 144 22 22 PHE CA C 56.937 0.300 1 145 22 22 PHE HA H 4.467 0.030 1 146 22 22 PHE CB C 42.745 0.300 1 147 22 22 PHE HB3 H 3.140 0.030 2 148 22 22 PHE CD1 C 132.140 0.300 1 149 22 22 PHE HD1 H 7.275 0.030 1 150 22 22 PHE CD2 C 132.140 0.300 1 151 22 22 PHE HD2 H 7.275 0.030 1 152 22 22 PHE CE1 C 130.816 0.300 1 153 22 22 PHE HE1 H 6.845 0.030 1 154 22 22 PHE CE2 C 130.816 0.300 1 155 22 22 PHE HE2 H 6.845 0.030 1 156 22 22 PHE CZ C 128.849 0.300 1 157 22 22 PHE HZ H 6.312 0.030 1 158 22 22 PHE C C 174.570 0.300 1 159 22 22 PHE HB2 H 2.648 0.030 2 160 23 23 LEU N N 124.547 0.300 1 161 23 23 LEU H H 8.632 0.030 1 162 23 23 LEU CA C 57.016 0.300 1 163 23 23 LEU HA H 4.190 0.030 1 164 23 23 LEU CB C 43.006 0.300 1 165 23 23 LEU HB3 H 1.695 0.030 2 166 23 23 LEU CG C 27.428 0.300 1 167 23 23 LEU HG H 1.704 0.030 1 168 23 23 LEU CD1 C 24.650 0.300 2 169 23 23 LEU HD1 H 0.987 0.030 1 170 23 23 LEU CD2 C 23.930 0.300 2 171 23 23 LEU HD2 H 0.936 0.030 1 172 23 23 LEU C C 177.399 0.300 1 173 23 23 LEU HB2 H 1.781 0.030 2 174 24 24 GLN N N 115.779 0.300 1 175 24 24 GLN H H 8.246 0.030 1 176 24 24 GLN CA C 54.687 0.300 1 177 24 24 GLN HA H 4.787 0.030 1 178 24 24 GLN CB C 29.974 0.300 1 179 24 24 GLN HB3 H 2.187 0.030 2 180 24 24 GLN CG C 33.702 0.300 1 181 24 24 GLN HG3 H 2.484 0.030 1 182 24 24 GLN NE2 N 112.188 0.300 1 183 24 24 GLN HE21 H 7.577 0.030 2 184 24 24 GLN HE22 H 6.942 0.030 2 185 24 24 GLN C C 176.712 0.300 1 186 24 24 GLN HB2 H 2.285 0.030 2 187 24 24 GLN HG2 H 2.484 0.030 1 188 25 25 ALA CA C 55.575 0.300 1 189 25 25 ALA HA H 3.542 0.030 1 190 25 25 ALA CB C 18.019 0.300 1 191 25 25 ALA HB H 1.429 0.030 1 192 25 25 ALA C C 179.282 0.300 1 193 26 26 SER N N 111.647 0.300 1 194 26 26 SER H H 8.886 0.030 1 195 26 26 SER CA C 61.362 0.300 1 196 26 26 SER HA H 4.039 0.030 1 197 26 26 SER CB C 61.561 0.300 1 198 26 26 SER HB3 H 3.895 0.030 1 199 26 26 SER C C 177.406 0.300 1 200 26 26 SER HB2 H 3.895 0.030 1 201 27 27 ASN N N 119.503 0.300 1 202 27 27 ASN H H 7.021 0.030 1 203 27 27 ASN CA C 55.428 0.300 1 204 27 27 ASN HA H 4.575 0.030 1 205 27 27 ASN CB C 38.410 0.300 1 206 27 27 ASN HB3 H 3.033 0.030 2 207 27 27 ASN ND2 N 113.606 0.300 1 208 27 27 ASN HD21 H 7.237 0.030 2 209 27 27 ASN HD22 H 8.062 0.030 2 210 27 27 ASN C C 177.285 0.300 1 211 27 27 ASN HB2 H 3.110 0.030 2 212 28 28 PHE N N 123.068 0.300 1 213 28 28 PHE H H 7.786 0.030 1 214 28 28 PHE CA C 60.488 0.300 1 215 28 28 PHE HA H 3.240 0.030 1 216 28 28 PHE CB C 38.809 0.300 1 217 28 28 PHE HB3 H 2.971 0.030 2 218 28 28 PHE CD1 C 131.811 0.300 1 219 28 28 PHE HD1 H 6.928 0.030 1 220 28 28 PHE CD2 C 131.811 0.300 1 221 28 28 PHE HD2 H 6.928 0.030 1 222 28 28 PHE CE1 C 130.867 0.300 1 223 28 28 PHE HE1 H 7.222 0.030 1 224 28 28 PHE CE2 C 130.867 0.300 1 225 28 28 PHE HE2 H 7.222 0.030 1 226 28 28 PHE CZ C 130.756 0.300 1 227 28 28 PHE HZ H 7.532 0.030 1 228 28 28 PHE C C 175.850 0.300 1 229 28 28 PHE HB2 H 2.777 0.030 2 230 29 29 ILE N N 119.421 0.300 1 231 29 29 ILE H H 8.501 0.030 1 232 29 29 ILE CA C 64.558 0.300 1 233 29 29 ILE HA H 3.221 0.030 1 234 29 29 ILE CB C 37.818 0.300 1 235 29 29 ILE HB H 1.786 0.030 1 236 29 29 ILE CG1 C 29.112 0.300 1 237 29 29 ILE HG13 H 1.617 0.030 2 238 29 29 ILE CG2 C 17.083 0.300 1 239 29 29 ILE HG2 H 0.822 0.030 1 240 29 29 ILE CD1 C 12.494 0.300 1 241 29 29 ILE HD1 H 0.777 0.030 1 242 29 29 ILE C C 178.885 0.300 1 243 29 29 ILE HG12 H 1.197 0.030 2 244 30 30 GLN N N 117.482 0.300 1 245 30 30 GLN H H 7.343 0.030 1 246 30 30 GLN CA C 58.656 0.300 1 247 30 30 GLN HA H 3.885 0.030 1 248 30 30 GLN CB C 28.460 0.300 1 249 30 30 GLN HB3 H 2.072 0.030 1 250 30 30 GLN CG C 33.678 0.300 1 251 30 30 GLN HG3 H 2.392 0.030 2 252 30 30 GLN NE2 N 112.170 0.300 1 253 30 30 GLN HE21 H 7.421 0.030 2 254 30 30 GLN HE22 H 6.872 0.030 2 255 30 30 GLN C C 178.347 0.300 1 256 30 30 GLN HB2 H 2.072 0.030 1 257 30 30 GLN HG2 H 2.465 0.030 2 258 31 31 HIS N N 119.125 0.300 1 259 31 31 HIS H H 7.738 0.030 1 260 31 31 HIS CA C 59.348 0.300 1 261 31 31 HIS HA H 4.052 0.030 1 262 31 31 HIS CB C 28.129 0.300 1 263 31 31 HIS HB3 H 2.729 0.030 2 264 31 31 HIS CD2 C 126.518 0.300 1 265 31 31 HIS HD2 H 6.637 0.030 1 266 31 31 HIS CE1 C 139.771 0.300 1 267 31 31 HIS HE1 H 8.122 0.030 1 268 31 31 HIS C C 176.394 0.300 1 269 31 31 HIS HB2 H 2.848 0.030 2 270 32 32 ARG N N 115.404 0.300 1 271 32 32 ARG H H 7.920 0.030 1 272 32 32 ARG CA C 58.191 0.300 1 273 32 32 ARG HA H 3.510 0.030 1 274 32 32 ARG CB C 28.088 0.300 1 275 32 32 ARG HB3 H 1.646 0.030 2 276 32 32 ARG CG C 25.775 0.300 1 277 32 32 ARG HG3 H 1.196 0.030 2 278 32 32 ARG CD C 42.009 0.300 1 279 32 32 ARG HD3 H 3.040 0.030 2 280 32 32 ARG C C 177.828 0.300 1 281 32 32 ARG HB2 H 1.733 0.030 2 282 32 32 ARG HD2 H 3.110 0.030 2 283 32 32 ARG HG2 H 1.268 0.030 2 284 33 33 ARG N N 116.284 0.300 1 285 33 33 ARG H H 7.025 0.030 1 286 33 33 ARG CA C 58.538 0.300 1 287 33 33 ARG HA H 4.094 0.030 1 288 33 33 ARG CB C 29.994 0.300 1 289 33 33 ARG HB3 H 1.752 0.030 2 290 33 33 ARG CG C 27.784 0.300 1 291 33 33 ARG HG3 H 1.569 0.030 2 292 33 33 ARG CD C 43.577 0.300 1 293 33 33 ARG HD3 H 3.135 0.030 1 294 33 33 ARG C C 178.632 0.300 1 295 33 33 ARG HB2 H 1.841 0.030 2 296 33 33 ARG HD2 H 3.135 0.030 1 297 33 33 ARG HG2 H 1.793 0.030 2 298 34 34 ILE N N 116.774 0.300 1 299 34 34 ILE H H 7.715 0.030 1 300 34 34 ILE CA C 63.294 0.300 1 301 34 34 ILE HA H 3.886 0.030 1 302 34 34 ILE CB C 37.481 0.300 1 303 34 34 ILE HB H 1.610 0.030 1 304 34 34 ILE CG1 C 26.781 0.300 1 305 34 34 ILE HG13 H 0.756 0.030 2 306 34 34 ILE CG2 C 16.442 0.300 1 307 34 34 ILE HG2 H 0.563 0.030 1 308 34 34 ILE CD1 C 14.092 0.300 1 309 34 34 ILE HD1 H 0.674 0.030 1 310 34 34 ILE C C 177.422 0.300 1 311 34 34 ILE HG12 H 0.930 0.030 2 312 35 35 HIS N N 117.061 0.300 1 313 35 35 HIS H H 7.143 0.030 1 314 35 35 HIS CA C 55.554 0.300 1 315 35 35 HIS HA H 4.798 0.030 1 316 35 35 HIS CB C 28.994 0.300 1 317 35 35 HIS HB3 H 3.237 0.030 2 318 35 35 HIS CD2 C 128.453 0.300 1 319 35 35 HIS HD2 H 6.629 0.030 1 320 35 35 HIS CE1 C 140.003 0.300 1 321 35 35 HIS HE1 H 8.062 0.030 1 322 35 35 HIS C C 176.009 0.300 1 323 35 35 HIS HB2 H 3.031 0.030 2 324 36 36 THR N N 110.946 0.300 1 325 36 36 THR H H 7.834 0.030 1 326 36 36 THR CA C 62.550 0.300 1 327 36 36 THR HA H 4.312 0.030 1 328 36 36 THR CB C 69.804 0.300 1 329 36 36 THR HB H 4.314 0.030 1 330 36 36 THR CG2 C 21.430 0.300 1 331 36 36 THR HG2 H 1.203 0.030 1 332 36 36 THR C C 175.635 0.300 1 333 37 37 GLY N N 110.649 0.300 1 334 37 37 GLY H H 8.196 0.030 1 335 37 37 GLY CA C 45.414 0.300 1 336 37 37 GLY HA3 H 3.920 0.030 2 337 37 37 GLY C C 174.050 0.300 1 338 37 37 GLY HA2 H 4.016 0.030 2 339 38 38 GLU N N 120.504 0.300 1 340 38 38 GLU H H 8.039 0.030 1 341 38 38 GLU CA C 56.537 0.300 1 342 38 38 GLU HA H 4.215 0.030 1 343 38 38 GLU CB C 30.588 0.300 1 344 38 38 GLU HB3 H 1.882 0.030 2 345 38 38 GLU CG C 36.390 0.300 1 346 38 38 GLU HG3 H 2.193 0.030 1 347 38 38 GLU C C 176.107 0.300 1 348 38 38 GLU HB2 H 1.976 0.030 2 349 38 38 GLU HG2 H 2.193 0.030 1 350 39 39 LYS N N 123.777 0.300 1 351 39 39 LYS H H 8.401 0.030 1 352 39 39 LYS CA C 54.099 0.300 1 353 39 39 LYS HA H 4.599 0.030 1 354 39 39 LYS CB C 32.530 0.300 1 355 39 39 LYS HB3 H 1.718 0.030 2 356 39 39 LYS CG C 24.511 0.300 1 357 39 39 LYS HG3 H 1.461 0.030 1 358 39 39 LYS CD C 29.157 0.300 1 359 39 39 LYS HD3 H 1.698 0.030 1 360 39 39 LYS CE C 42.224 0.300 1 361 39 39 LYS HE3 H 2.994 0.030 1 362 39 39 LYS C C 174.452 0.300 1 363 39 39 LYS HB2 H 1.816 0.030 2 364 39 39 LYS HD2 H 1.698 0.030 1 365 39 39 LYS HE2 H 2.994 0.030 1 366 39 39 LYS HG2 H 1.461 0.030 1 367 40 40 PRO CA C 63.195 0.300 1 368 40 40 PRO HA H 4.445 0.030 1 369 40 40 PRO CB C 32.187 0.300 1 370 40 40 PRO HB3 H 1.941 0.030 2 371 40 40 PRO CG C 27.232 0.300 1 372 40 40 PRO HG3 H 2.024 0.030 1 373 40 40 PRO CD C 50.668 0.300 1 374 40 40 PRO HD3 H 3.642 0.030 2 375 40 40 PRO C C 176.911 0.300 1 376 40 40 PRO HB2 H 2.302 0.030 2 377 40 40 PRO HD2 H 3.799 0.030 2 378 40 40 PRO HG2 H 2.024 0.030 1 379 41 41 SER N N 116.485 0.300 1 380 41 41 SER H H 8.449 0.030 1 381 41 41 SER CA C 58.467 0.300 1 382 41 41 SER HA H 4.468 0.030 1 383 41 41 SER CB C 63.909 0.300 1 384 41 41 SER HB3 H 3.877 0.030 1 385 41 41 SER C C 174.617 0.300 1 386 41 41 SER HB2 H 3.877 0.030 1 387 42 42 GLY N N 110.609 0.300 1 388 42 42 GLY H H 8.216 0.030 1 389 42 42 GLY CA C 44.673 0.300 1 390 42 42 GLY HA3 H 4.114 0.030 2 391 42 42 GLY C C 171.713 0.300 1 392 42 42 GLY HA2 H 4.158 0.030 2 393 43 43 PRO CA C 63.260 0.300 1 394 43 43 PRO HA H 4.484 0.030 1 395 43 43 PRO CB C 32.216 0.300 1 396 43 43 PRO HB3 H 1.982 0.030 2 397 43 43 PRO CG C 27.365 0.300 1 398 43 43 PRO HG3 H 1.986 0.030 2 399 43 43 PRO CD C 49.812 0.300 1 400 43 43 PRO HD3 H 3.632 0.030 1 401 43 43 PRO C C 177.352 0.300 1 402 43 43 PRO HB2 H 2.297 0.030 2 403 43 43 PRO HD2 H 3.632 0.030 1 404 43 43 PRO HG2 H 2.035 0.030 2 405 44 44 SER N N 116.409 0.300 1 406 44 44 SER H H 8.511 0.030 1 407 44 44 SER CA C 58.392 0.300 1 408 44 44 SER HA H 4.466 0.030 1 409 44 44 SER CB C 63.748 0.300 1 410 44 44 SER HB3 H 3.870 0.030 1 411 44 44 SER C C 174.615 0.300 1 412 44 44 SER HB2 H 3.870 0.030 1 413 45 45 SER N N 117.817 0.300 1 414 45 45 SER H H 8.303 0.030 1 415 45 45 SER CA C 58.381 0.300 1 416 45 45 SER HA H 4.452 0.030 1 417 45 45 SER CB C 64.070 0.300 1 418 45 45 SER HB3 H 3.852 0.030 1 419 45 45 SER C C 173.885 0.300 1 420 45 45 SER HB2 H 3.852 0.030 1 421 46 46 GLY N N 116.844 0.300 1 422 46 46 GLY H H 8.026 0.030 1 423 46 46 GLY C C 178.958 0.300 1 stop_ save_