data_10183 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 379-411) of human Zinc finger protein 484 ; _BMRB_accession_number 10183 _BMRB_flat_file_name bmr10183.str _Entry_type original _Submission_date 2008-02-06 _Accession_date 2008-02-08 _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 Tomizawa T. . . 2 Tochio N. . . 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" 211 "13C chemical shifts" 158 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-26 original author . stop_ _Original_release_date 2009-02-26 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 379-411) 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 domain' $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 domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGGKHFECTECGK AFTRKSTLSMHQKIHTGEKP 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 GLY 11 LYS 12 HIS 13 PHE 14 GLU 15 CYS 16 THR 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 THR 24 ARG 25 LYS 26 SER 27 THR 28 LEU 29 SER 30 MET 31 HIS 32 GLN 33 LYS 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 2EMF "Solution Structure Of The C2h2 Type Zinc Finger (Region 379- 411) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 5.42e-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 P070115-38 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 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 domain' _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 THR CA C 61.938 0.300 1 2 8 8 THR HA H 4.380 0.030 1 3 8 8 THR CB C 69.802 0.300 1 4 8 8 THR HB H 4.305 0.030 1 5 8 8 THR CG2 C 21.537 0.300 1 6 8 8 THR HG2 H 1.192 0.030 1 7 9 9 GLY N N 110.579 0.300 1 8 9 9 GLY H H 8.211 0.030 1 9 9 9 GLY CA C 45.481 0.300 1 10 9 9 GLY C C 174.663 0.300 1 11 9 9 GLY HA2 H 3.996 0.030 2 12 10 10 GLY N N 108.571 0.300 1 13 10 10 GLY H H 8.251 0.030 1 14 10 10 GLY CA C 45.221 0.300 1 15 10 10 GLY HA3 H 3.899 0.030 1 16 10 10 GLY C C 173.838 0.300 1 17 10 10 GLY HA2 H 3.899 0.030 1 18 11 11 LYS CA C 55.715 0.300 1 19 11 11 LYS HA H 4.248 0.030 1 20 11 11 LYS CB C 32.944 0.300 1 21 11 11 LYS HB3 H 1.624 0.030 1 22 11 11 LYS CG C 24.705 0.300 1 23 11 11 LYS HG3 H 1.308 0.030 2 24 11 11 LYS CD C 29.096 0.300 1 25 11 11 LYS HD3 H 1.615 0.030 1 26 11 11 LYS CE C 42.285 0.300 1 27 11 11 LYS HE3 H 2.945 0.030 1 28 11 11 LYS C C 175.376 0.300 1 29 11 11 LYS HB2 H 1.624 0.030 1 30 11 11 LYS HD2 H 1.615 0.030 1 31 11 11 LYS HE2 H 2.945 0.030 1 32 11 11 LYS HG2 H 1.242 0.030 2 33 12 12 HIS N N 119.464 0.300 1 34 12 12 HIS H H 7.756 0.030 1 35 12 12 HIS CA C 55.768 0.300 1 36 12 12 HIS HA H 4.590 0.030 1 37 12 12 HIS CB C 31.837 0.300 1 38 12 12 HIS HB3 H 2.871 0.030 2 39 12 12 HIS CD2 C 119.400 0.300 1 40 12 12 HIS HD2 H 6.749 0.030 1 41 12 12 HIS CE1 C 138.230 0.300 1 42 12 12 HIS HE1 H 7.768 0.030 1 43 12 12 HIS C C 173.771 0.300 1 44 12 12 HIS HB2 H 2.754 0.030 2 45 13 13 PHE N N 121.351 0.300 1 46 13 13 PHE H H 8.608 0.030 1 47 13 13 PHE CA C 57.043 0.300 1 48 13 13 PHE HA H 4.695 0.030 1 49 13 13 PHE CB C 40.358 0.300 1 50 13 13 PHE HB3 H 2.751 0.030 2 51 13 13 PHE CD1 C 131.939 0.300 1 52 13 13 PHE HD1 H 7.093 0.030 1 53 13 13 PHE CD2 C 131.939 0.300 1 54 13 13 PHE HD2 H 7.093 0.030 1 55 13 13 PHE CE1 C 131.413 0.300 1 56 13 13 PHE HE1 H 7.348 0.030 1 57 13 13 PHE CE2 C 131.413 0.300 1 58 13 13 PHE HE2 H 7.348 0.030 1 59 13 13 PHE CZ C 129.967 0.300 1 60 13 13 PHE HZ H 7.343 0.030 1 61 13 13 PHE C C 174.660 0.300 1 62 13 13 PHE HB2 H 3.093 0.030 2 63 14 14 GLU N N 123.701 0.300 1 64 14 14 GLU H H 8.703 0.030 1 65 14 14 GLU CA C 55.192 0.300 1 66 14 14 GLU HA H 4.930 0.030 1 67 14 14 GLU CB C 32.782 0.300 1 68 14 14 GLU HB3 H 1.822 0.030 1 69 14 14 GLU CG C 36.612 0.300 1 70 14 14 GLU HG3 H 1.980 0.030 1 71 14 14 GLU C C 175.204 0.300 1 72 14 14 GLU HB2 H 1.822 0.030 1 73 14 14 GLU HG2 H 1.980 0.030 1 74 15 15 CYS N N 126.235 0.300 1 75 15 15 CYS H H 9.225 0.030 1 76 15 15 CYS CA C 59.373 0.300 1 77 15 15 CYS HA H 4.675 0.030 1 78 15 15 CYS CB C 29.593 0.300 1 79 15 15 CYS HB3 H 2.890 0.030 2 80 15 15 CYS C C 177.738 0.300 1 81 15 15 CYS HB2 H 3.424 0.030 2 82 16 16 THR N N 111.509 0.300 1 83 16 16 THR H H 8.979 0.030 1 84 16 16 THR CA C 64.511 0.300 1 85 16 16 THR HA H 4.164 0.030 1 86 16 16 THR CB C 68.647 0.300 1 87 16 16 THR HB H 4.379 0.030 1 88 16 16 THR CG2 C 22.194 0.300 1 89 16 16 THR HG2 H 1.368 0.030 1 90 16 16 THR C C 175.013 0.300 1 91 17 17 GLU N N 122.589 0.300 1 92 17 17 GLU H H 8.635 0.030 1 93 17 17 GLU CA C 58.162 0.300 1 94 17 17 GLU HA H 4.239 0.030 1 95 17 17 GLU CB C 29.496 0.300 1 96 17 17 GLU HB3 H 1.333 0.030 1 97 17 17 GLU CG C 35.839 0.300 1 98 17 17 GLU HG3 H 1.897 0.030 2 99 17 17 GLU C C 177.246 0.300 1 100 17 17 GLU HB2 H 1.333 0.030 1 101 17 17 GLU HG2 H 1.806 0.030 2 102 18 18 CYS N N 114.562 0.300 1 103 18 18 CYS H H 7.910 0.030 1 104 18 18 CYS CA C 58.391 0.300 1 105 18 18 CYS HA H 5.164 0.030 1 106 18 18 CYS CB C 32.468 0.300 1 107 18 18 CYS HB3 H 2.852 0.030 2 108 18 18 CYS C C 176.262 0.300 1 109 18 18 CYS HB2 H 3.439 0.030 2 110 19 19 GLY N N 113.487 0.300 1 111 19 19 GLY H H 8.165 0.030 1 112 19 19 GLY CA C 46.214 0.300 1 113 19 19 GLY HA3 H 3.886 0.030 2 114 19 19 GLY C C 173.798 0.300 1 115 19 19 GLY HA2 H 4.214 0.030 2 116 20 20 LYS N N 122.564 0.300 1 117 20 20 LYS H H 7.884 0.030 1 118 20 20 LYS CA C 57.974 0.300 1 119 20 20 LYS HA H 3.962 0.030 1 120 20 20 LYS CB C 33.877 0.300 1 121 20 20 LYS HB3 H 1.226 0.030 2 122 20 20 LYS CG C 26.225 0.300 1 123 20 20 LYS HG3 H 1.436 0.030 2 124 20 20 LYS CD C 29.236 0.300 1 125 20 20 LYS HD3 H 1.531 0.030 2 126 20 20 LYS CE C 42.202 0.300 1 127 20 20 LYS HE3 H 2.925 0.030 2 128 20 20 LYS C C 173.740 0.300 1 129 20 20 LYS HB2 H 1.433 0.030 2 130 20 20 LYS HD2 H 1.466 0.030 2 131 20 20 LYS HE2 H 2.996 0.030 2 132 20 20 LYS HG2 H 1.106 0.030 2 133 21 21 ALA N N 123.364 0.300 1 134 21 21 ALA H H 7.839 0.030 1 135 21 21 ALA CA C 50.556 0.300 1 136 21 21 ALA HA H 4.987 0.030 1 137 21 21 ALA CB C 21.924 0.300 1 138 21 21 ALA HB H 1.098 0.030 1 139 21 21 ALA C C 176.349 0.300 1 140 22 22 PHE N N 117.458 0.300 1 141 22 22 PHE H H 8.633 0.030 1 142 22 22 PHE CA C 57.005 0.300 1 143 22 22 PHE HA H 4.855 0.030 1 144 22 22 PHE CB C 43.656 0.300 1 145 22 22 PHE HB3 H 3.480 0.030 2 146 22 22 PHE CD1 C 132.648 0.300 1 147 22 22 PHE HD1 H 7.245 0.030 1 148 22 22 PHE CD2 C 132.648 0.300 1 149 22 22 PHE HD2 H 7.245 0.030 1 150 22 22 PHE CE1 C 130.584 0.300 1 151 22 22 PHE HE1 H 6.827 0.030 1 152 22 22 PHE CE2 C 130.584 0.300 1 153 22 22 PHE HE2 H 6.827 0.030 1 154 22 22 PHE CZ C 128.670 0.300 1 155 22 22 PHE HZ H 6.189 0.030 1 156 22 22 PHE C C 175.978 0.300 1 157 22 22 PHE HB2 H 2.682 0.030 2 158 23 23 THR CA C 62.840 0.300 1 159 23 23 THR HA H 4.615 0.030 1 160 23 23 THR CB C 69.738 0.300 1 161 23 23 THR HB H 4.532 0.030 1 162 23 23 THR CG2 C 22.267 0.300 1 163 23 23 THR HG2 H 1.295 0.030 1 164 23 23 THR C C 174.588 0.300 1 165 24 24 ARG N N 117.287 0.300 1 166 24 24 ARG H H 7.306 0.030 1 167 24 24 ARG CA C 54.452 0.300 1 168 24 24 ARG HA H 4.703 0.030 1 169 24 24 ARG CB C 33.863 0.300 1 170 24 24 ARG HB3 H 1.994 0.030 2 171 24 24 ARG CG C 27.164 0.300 1 172 24 24 ARG HG3 H 1.719 0.030 1 173 24 24 ARG CD C 43.592 0.300 1 174 24 24 ARG HD3 H 3.188 0.030 2 175 24 24 ARG C C 175.439 0.300 1 176 24 24 ARG HB2 H 1.854 0.030 2 177 24 24 ARG HD2 H 3.242 0.030 2 178 24 24 ARG HG2 H 1.719 0.030 1 179 25 25 LYS CA C 59.205 0.300 1 180 25 25 LYS HA H 3.150 0.030 1 181 25 25 LYS CB C 31.728 0.300 1 182 25 25 LYS HB3 H 1.490 0.030 2 183 25 25 LYS CG C 24.954 0.300 1 184 25 25 LYS HG3 H 1.110 0.030 2 185 25 25 LYS CD C 29.053 0.300 1 186 25 25 LYS HD3 H 1.582 0.030 2 187 25 25 LYS CE C 42.123 0.300 1 188 25 25 LYS HB2 H 1.175 0.030 2 189 25 25 LYS HD2 H 1.498 0.030 2 190 25 25 LYS HE2 H 2.886 0.030 2 191 25 25 LYS HG2 H 1.012 0.030 2 192 26 26 SER CA C 60.817 0.300 1 193 26 26 SER HA H 4.043 0.030 1 194 26 26 SER CB C 61.472 0.300 1 195 26 26 SER HB3 H 3.851 0.030 1 196 26 26 SER C C 177.205 0.300 1 197 26 26 SER HB2 H 3.851 0.030 1 198 27 27 THR N N 117.923 0.300 1 199 27 27 THR H H 6.917 0.030 1 200 27 27 THR CA C 65.095 0.300 1 201 27 27 THR HA H 3.923 0.030 1 202 27 27 THR CB C 67.872 0.300 1 203 27 27 THR HB H 4.148 0.030 1 204 27 27 THR CG2 C 24.245 0.300 1 205 27 27 THR HG2 H 1.300 0.030 1 206 27 27 THR C C 176.713 0.300 1 207 28 28 LEU N N 123.790 0.300 1 208 28 28 LEU H H 7.141 0.030 1 209 28 28 LEU CA C 58.267 0.300 1 210 28 28 LEU HA H 3.229 0.030 1 211 28 28 LEU CB C 40.123 0.300 1 212 28 28 LEU HB3 H 1.277 0.030 2 213 28 28 LEU CG C 27.503 0.300 1 214 28 28 LEU HG H 1.506 0.030 1 215 28 28 LEU CD1 C 26.733 0.300 2 216 28 28 LEU HD1 H 0.987 0.030 1 217 28 28 LEU CD2 C 22.864 0.300 2 218 28 28 LEU HD2 H 1.020 0.030 1 219 28 28 LEU C C 177.782 0.300 1 220 28 28 LEU HB2 H 1.987 0.030 2 221 29 29 SER N N 114.756 0.300 1 222 29 29 SER H H 8.465 0.030 1 223 29 29 SER CA C 61.832 0.300 1 224 29 29 SER HA H 4.255 0.030 1 225 29 29 SER CB C 62.537 0.300 1 226 29 29 SER HB3 H 3.881 0.030 1 227 29 29 SER C C 177.070 0.300 1 228 29 29 SER HB2 H 3.881 0.030 1 229 30 30 MET N N 119.297 0.300 1 230 30 30 MET H H 7.502 0.030 1 231 30 30 MET CA C 58.202 0.300 1 232 30 30 MET HA H 4.154 0.030 1 233 30 30 MET CB C 32.390 0.300 1 234 30 30 MET HB3 H 2.088 0.030 1 235 30 30 MET CG C 31.982 0.300 1 236 30 30 MET HG3 H 2.656 0.030 2 237 30 30 MET CE C 16.923 0.300 1 238 30 30 MET HE H 2.062 0.030 1 239 30 30 MET C C 178.561 0.300 1 240 30 30 MET HB2 H 2.088 0.030 1 241 30 30 MET HG2 H 2.581 0.030 2 242 31 31 HIS N N 120.247 0.300 1 243 31 31 HIS H H 7.805 0.030 1 244 31 31 HIS CA C 59.197 0.300 1 245 31 31 HIS HA H 4.168 0.030 1 246 31 31 HIS CB C 28.173 0.300 1 247 31 31 HIS HB3 H 2.870 0.030 2 248 31 31 HIS CD2 C 127.259 0.300 1 249 31 31 HIS HD2 H 6.939 0.030 1 250 31 31 HIS CE1 C 139.527 0.300 1 251 31 31 HIS HE1 H 8.040 0.030 1 252 31 31 HIS C C 176.343 0.300 1 253 31 31 HIS HB2 H 3.180 0.030 2 254 32 32 GLN N N 115.288 0.300 1 255 32 32 GLN H H 8.405 0.030 1 256 32 32 GLN CA C 59.419 0.300 1 257 32 32 GLN HA H 3.692 0.030 1 258 32 32 GLN CB C 28.474 0.300 1 259 32 32 GLN HB3 H 2.320 0.030 2 260 32 32 GLN CG C 35.417 0.300 1 261 32 32 GLN HG3 H 2.814 0.030 1 262 32 32 GLN NE2 N 112.505 0.300 1 263 32 32 GLN HE21 H 7.717 0.030 2 264 32 32 GLN HE22 H 7.031 0.030 2 265 32 32 GLN C C 177.514 0.300 1 266 32 32 GLN HB2 H 2.210 0.030 2 267 32 32 GLN HG2 H 2.814 0.030 1 268 33 33 LYS N N 117.142 0.300 1 269 33 33 LYS H H 7.103 0.030 1 270 33 33 LYS CA C 58.467 0.300 1 271 33 33 LYS HA H 4.111 0.030 1 272 33 33 LYS CB C 32.225 0.300 1 273 33 33 LYS HB3 H 1.843 0.030 2 274 33 33 LYS CG C 25.206 0.300 1 275 33 33 LYS HG3 H 1.645 0.030 2 276 33 33 LYS CD C 29.112 0.300 1 277 33 33 LYS HD3 H 1.679 0.030 1 278 33 33 LYS CE C 42.202 0.300 1 279 33 33 LYS HE3 H 2.951 0.030 2 280 33 33 LYS C C 178.784 0.300 1 281 33 33 LYS HB2 H 1.799 0.030 2 282 33 33 LYS HD2 H 1.679 0.030 1 283 33 33 LYS HE2 H 2.987 0.030 2 284 33 33 LYS HG2 H 1.476 0.030 2 285 34 34 ILE N N 116.412 0.300 1 286 34 34 ILE H H 7.822 0.030 1 287 34 34 ILE CA C 63.061 0.300 1 288 34 34 ILE HA H 3.975 0.030 1 289 34 34 ILE CB C 37.649 0.300 1 290 34 34 ILE HB H 1.679 0.030 1 291 34 34 ILE CG1 C 26.675 0.300 1 292 34 34 ILE HG13 H 0.768 0.030 2 293 34 34 ILE CG2 C 16.496 0.300 1 294 34 34 ILE HG2 H 0.572 0.030 1 295 34 34 ILE CD1 C 14.327 0.300 1 296 34 34 ILE HD1 H 0.694 0.030 1 297 34 34 ILE C C 177.516 0.300 1 298 34 34 ILE HG12 H 0.938 0.030 2 299 35 35 HIS N N 117.694 0.300 1 300 35 35 HIS H H 7.194 0.030 1 301 35 35 HIS CA C 55.301 0.300 1 302 35 35 HIS HA H 4.846 0.030 1 303 35 35 HIS CB C 28.487 0.300 1 304 35 35 HIS HB3 H 3.235 0.030 2 305 35 35 HIS CD2 C 127.728 0.300 1 306 35 35 HIS HD2 H 6.751 0.030 1 307 35 35 HIS CE1 C 140.102 0.300 1 308 35 35 HIS HE1 H 8.060 0.030 1 309 35 35 HIS C C 175.812 0.300 1 310 35 35 HIS HB2 H 3.350 0.030 2 311 36 36 THR N N 111.822 0.300 1 312 36 36 THR H H 7.763 0.030 1 313 36 36 THR CA C 62.564 0.300 1 314 36 36 THR HA H 4.350 0.030 1 315 36 36 THR CB C 69.813 0.300 1 316 36 36 THR HB H 4.330 0.030 1 317 36 36 THR CG2 C 21.629 0.300 1 318 36 36 THR HG2 H 1.238 0.030 1 319 36 36 THR C C 175.513 0.300 1 320 37 37 GLY N N 110.617 0.300 1 321 37 37 GLY H H 8.212 0.030 1 322 37 37 GLY CA C 45.405 0.300 1 323 37 37 GLY HA3 H 4.024 0.030 2 324 37 37 GLY C C 174.041 0.300 1 325 37 37 GLY HA2 H 3.966 0.030 2 326 38 38 GLU N N 120.572 0.300 1 327 38 38 GLU H H 8.097 0.030 1 328 38 38 GLU CA C 56.480 0.300 1 329 38 38 GLU HA H 4.253 0.030 1 330 38 38 GLU CB C 30.586 0.300 1 331 38 38 GLU HB3 H 1.998 0.030 2 332 38 38 GLU CG C 36.307 0.300 1 333 38 38 GLU HG3 H 2.274 0.030 2 334 38 38 GLU C C 176.244 0.300 1 335 38 38 GLU HB2 H 1.913 0.030 2 336 38 38 GLU HG2 H 2.213 0.030 2 337 39 39 LYS N N 123.658 0.300 1 338 39 39 LYS H H 8.366 0.030 1 339 39 39 LYS CA C 54.084 0.300 1 340 39 39 LYS HA H 4.614 0.030 1 341 39 39 LYS CB C 32.557 0.300 1 342 39 39 LYS HB3 H 1.818 0.030 2 343 39 39 LYS CG C 24.525 0.300 1 344 39 39 LYS HG3 H 1.464 0.030 1 345 39 39 LYS CD C 29.134 0.300 1 346 39 39 LYS HD3 H 1.687 0.030 1 347 39 39 LYS CE C 42.230 0.300 1 348 39 39 LYS HE3 H 2.998 0.030 1 349 39 39 LYS C C 174.505 0.300 1 350 39 39 LYS HB2 H 1.721 0.030 2 351 39 39 LYS HD2 H 1.687 0.030 1 352 39 39 LYS HE2 H 2.998 0.030 1 353 39 39 LYS HG2 H 1.464 0.030 1 354 40 40 PRO CA C 63.210 0.300 1 355 40 40 PRO HA H 4.466 0.030 1 356 40 40 PRO CB C 32.186 0.300 1 357 40 40 PRO HB3 H 1.946 0.030 2 358 40 40 PRO CG C 27.358 0.300 1 359 40 40 PRO HG3 H 2.018 0.030 1 360 40 40 PRO CD C 50.701 0.300 1 361 40 40 PRO HD3 H 3.822 0.030 2 362 40 40 PRO C C 177.000 0.300 1 363 40 40 PRO HB2 H 2.310 0.030 2 364 40 40 PRO HD2 H 3.644 0.030 2 365 40 40 PRO HG2 H 2.018 0.030 1 366 41 41 SER N N 116.449 0.300 1 367 41 41 SER H H 8.466 0.030 1 368 41 41 SER CA C 58.350 0.300 1 369 41 41 SER HA H 4.472 0.030 1 370 41 41 SER CB C 64.016 0.300 1 371 41 41 SER HB3 H 3.891 0.030 1 372 41 41 SER C C 174.682 0.300 1 373 41 41 SER HB2 H 3.891 0.030 1 374 42 42 GLY CA C 44.670 0.300 1 375 42 42 GLY HA3 H 4.165 0.030 2 376 42 42 GLY HA2 H 4.109 0.030 2 377 43 43 PRO CA C 63.265 0.300 1 378 43 43 PRO HA H 4.478 0.030 1 379 43 43 PRO CB C 32.223 0.300 1 380 43 43 PRO HB3 H 1.976 0.030 2 381 43 43 PRO CG C 27.195 0.300 1 382 43 43 PRO HG3 H 2.017 0.030 1 383 43 43 PRO CD C 49.806 0.300 1 384 43 43 PRO HD3 H 3.627 0.030 1 385 43 43 PRO HB2 H 2.290 0.030 2 386 43 43 PRO HD2 H 3.627 0.030 1 387 43 43 PRO HG2 H 2.017 0.030 1 388 45 45 SER CA C 58.389 0.300 1 389 45 45 SER HA H 4.498 0.030 1 390 45 45 SER CB C 63.929 0.300 1 391 45 45 SER HB3 H 3.897 0.030 1 392 45 45 SER C C 173.909 0.300 1 393 45 45 SER HB2 H 3.897 0.030 1 394 46 46 GLY N N 116.839 0.300 1 395 46 46 GLY H H 8.044 0.030 1 396 46 46 GLY CA C 46.226 0.300 1 397 46 46 GLY HA3 H 3.801 0.030 2 398 46 46 GLY C C 178.997 0.300 1 399 46 46 GLY HA2 H 3.753 0.030 2 stop_ save_