data_10182 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 725-757) of human Zinc finger protein 473 ; _BMRB_accession_number 10182 _BMRB_flat_file_name bmr10182.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" 199 "13C chemical shifts" 145 "15N chemical shifts" 32 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 725-757) 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 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 ; GSSGSSGSGEKPYVCDYCGK AFGLSAELVRHQRIHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 VAL 15 CYS 16 ASP 17 TYR 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 GLY 24 LEU 25 SER 26 ALA 27 GLU 28 LEU 29 VAL 30 ARG 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 2EME "Solution Structure Of The C2h2 Type Zinc Finger (Region 725- 757) Of Human Zinc Finger Protein 473" 100.00 46 100.00 100.00 4.81e-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 P070115-33 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 9 9 GLY CA C 45.457 0.300 1 2 9 9 GLY HA2 H 3.947 0.030 2 3 10 10 GLU N N 120.021 0.300 1 4 10 10 GLU H H 8.232 0.030 1 5 10 10 GLU CA C 56.989 0.300 1 6 10 10 GLU HA H 4.186 0.030 1 7 10 10 GLU CB C 30.382 0.300 1 8 10 10 GLU HB3 H 1.903 0.030 2 9 10 10 GLU CG C 36.307 0.300 1 10 10 10 GLU HG3 H 2.249 0.030 1 11 10 10 GLU HB2 H 1.993 0.030 2 12 10 10 GLU HG2 H 2.249 0.030 1 13 11 11 LYS N N 121.247 0.300 1 14 11 11 LYS H H 8.262 0.030 1 15 11 11 LYS CA C 53.662 0.300 1 16 11 11 LYS HA H 4.556 0.030 1 17 11 11 LYS CB C 33.383 0.300 1 18 11 11 LYS HB3 H 1.308 0.030 2 19 11 11 LYS CG C 24.816 0.300 1 20 11 11 LYS HG3 H 1.298 0.030 2 21 11 11 LYS CD C 29.511 0.300 1 22 11 11 LYS HD3 H 1.486 0.030 2 23 11 11 LYS CE C 42.367 0.300 1 24 11 11 LYS HE3 H 2.902 0.030 1 25 11 11 LYS HB2 H 1.548 0.030 2 26 11 11 LYS HD2 H 1.443 0.030 2 27 11 11 LYS HE2 H 2.902 0.030 1 28 11 11 LYS HG2 H 1.088 0.030 2 29 12 12 PRO CA C 63.504 0.300 1 30 12 12 PRO HA H 4.297 0.030 1 31 12 12 PRO CB C 32.319 0.300 1 32 12 12 PRO HB3 H 1.286 0.030 2 33 12 12 PRO CG C 26.404 0.300 1 34 12 12 PRO HG3 H 1.488 0.030 2 35 12 12 PRO CD C 50.030 0.300 1 36 12 12 PRO HD3 H 3.591 0.030 2 37 12 12 PRO C C 176.573 0.300 1 38 12 12 PRO HB2 H 1.992 0.030 2 39 12 12 PRO HD2 H 3.706 0.030 2 40 12 12 PRO HG2 H 1.783 0.030 2 41 13 13 TYR N N 119.490 0.300 1 42 13 13 TYR H H 7.903 0.030 1 43 13 13 TYR CA C 57.922 0.300 1 44 13 13 TYR HA H 4.582 0.030 1 45 13 13 TYR CB C 37.887 0.300 1 46 13 13 TYR HB3 H 2.947 0.030 2 47 13 13 TYR CD1 C 133.286 0.300 1 48 13 13 TYR HD1 H 7.029 0.030 1 49 13 13 TYR CD2 C 133.286 0.300 1 50 13 13 TYR HD2 H 7.029 0.030 1 51 13 13 TYR CE1 C 118.468 0.300 1 52 13 13 TYR HE1 H 6.912 0.030 1 53 13 13 TYR CE2 C 118.468 0.300 1 54 13 13 TYR HE2 H 6.912 0.030 1 55 13 13 TYR C C 174.376 0.300 1 56 13 13 TYR HB2 H 2.875 0.030 2 57 14 14 VAL N N 125.513 0.300 1 58 14 14 VAL H H 8.446 0.030 1 59 14 14 VAL CA C 61.477 0.300 1 60 14 14 VAL HA H 4.552 0.030 1 61 14 14 VAL CB C 34.386 0.300 1 62 14 14 VAL HB H 1.843 0.030 1 63 14 14 VAL CG1 C 21.419 0.300 2 64 14 14 VAL HG1 H 0.817 0.030 1 65 14 14 VAL CG2 C 20.993 0.300 2 66 14 14 VAL HG2 H 0.742 0.030 1 67 14 14 VAL C C 175.372 0.300 1 68 15 15 CYS N N 129.259 0.300 1 69 15 15 CYS H H 9.292 0.030 1 70 15 15 CYS CA C 60.158 0.300 1 71 15 15 CYS HA H 4.513 0.030 1 72 15 15 CYS CB C 29.975 0.300 1 73 15 15 CYS HB3 H 2.979 0.030 2 74 15 15 CYS C C 176.962 0.300 1 75 15 15 CYS HB2 H 3.514 0.030 2 76 16 16 ASP N N 115.898 0.300 1 77 16 16 ASP H H 9.396 0.030 1 78 16 16 ASP CA C 56.513 0.300 1 79 16 16 ASP HA H 4.402 0.030 1 80 16 16 ASP CB C 40.801 0.300 1 81 16 16 ASP HB3 H 2.417 0.030 2 82 16 16 ASP C C 176.136 0.300 1 83 16 16 ASP HB2 H 2.543 0.030 2 84 17 17 TYR N N 119.369 0.300 1 85 17 17 TYR H H 8.841 0.030 1 86 17 17 TYR CA C 60.339 0.300 1 87 17 17 TYR HA H 4.242 0.030 1 88 17 17 TYR CB C 37.705 0.300 1 89 17 17 TYR HB3 H 2.096 0.030 2 90 17 17 TYR CD1 C 132.956 0.300 1 91 17 17 TYR HD1 H 6.907 0.030 1 92 17 17 TYR CD2 C 132.956 0.300 1 93 17 17 TYR HD2 H 6.907 0.030 1 94 17 17 TYR CE1 C 118.096 0.300 1 95 17 17 TYR HE1 H 6.782 0.030 1 96 17 17 TYR CE2 C 118.096 0.300 1 97 17 17 TYR HE2 H 6.782 0.030 1 98 17 17 TYR C C 177.144 0.300 1 99 17 17 TYR HB2 H 2.300 0.030 2 100 18 18 CYS N N 114.506 0.300 1 101 18 18 CYS H H 7.999 0.030 1 102 18 18 CYS CA C 58.405 0.300 1 103 18 18 CYS HA H 5.187 0.030 1 104 18 18 CYS CB C 32.949 0.300 1 105 18 18 CYS HB3 H 2.884 0.030 2 106 18 18 CYS C C 176.258 0.300 1 107 18 18 CYS HB2 H 3.502 0.030 2 108 19 19 GLY N N 113.706 0.300 1 109 19 19 GLY H H 8.288 0.030 1 110 19 19 GLY CA C 46.197 0.300 1 111 19 19 GLY HA3 H 4.220 0.030 2 112 19 19 GLY C C 173.563 0.300 1 113 19 19 GLY HA2 H 3.750 0.030 2 114 20 20 LYS N N 123.570 0.300 1 115 20 20 LYS H H 8.091 0.030 1 116 20 20 LYS CA C 58.371 0.300 1 117 20 20 LYS HA H 3.934 0.030 1 118 20 20 LYS CB C 33.556 0.300 1 119 20 20 LYS HB3 H 1.218 0.030 2 120 20 20 LYS CG C 26.257 0.300 1 121 20 20 LYS HG3 H 1.372 0.030 2 122 20 20 LYS CD C 29.323 0.300 1 123 20 20 LYS HD3 H 1.447 0.030 2 124 20 20 LYS CE C 42.188 0.300 1 125 20 20 LYS HE3 H 2.983 0.030 1 126 20 20 LYS C C 173.490 0.300 1 127 20 20 LYS HB2 H 1.487 0.030 2 128 20 20 LYS HD2 H 1.534 0.030 2 129 20 20 LYS HE2 H 2.983 0.030 1 130 20 20 LYS HG2 H 1.036 0.030 2 131 21 21 ALA N N 124.602 0.300 1 132 21 21 ALA H H 7.707 0.030 1 133 21 21 ALA CA C 50.258 0.300 1 134 21 21 ALA HA H 5.182 0.030 1 135 21 21 ALA CB C 22.647 0.300 1 136 21 21 ALA HB H 1.245 0.030 1 137 21 21 ALA C C 176.452 0.300 1 138 22 22 PHE N N 117.531 0.300 1 139 22 22 PHE H H 8.993 0.030 1 140 22 22 PHE CA C 57.291 0.300 1 141 22 22 PHE HA H 4.681 0.030 1 142 22 22 PHE CB C 43.492 0.300 1 143 22 22 PHE HB3 H 2.735 0.030 2 144 22 22 PHE CD1 C 132.543 0.300 1 145 22 22 PHE HD1 H 7.237 0.030 1 146 22 22 PHE CD2 C 132.543 0.300 1 147 22 22 PHE HD2 H 7.237 0.030 1 148 22 22 PHE CE1 C 130.609 0.300 1 149 22 22 PHE HE1 H 6.850 0.030 1 150 22 22 PHE CE2 C 130.609 0.300 1 151 22 22 PHE HE2 H 6.850 0.030 1 152 22 22 PHE CZ C 128.558 0.300 1 153 22 22 PHE HZ H 6.243 0.030 1 154 22 22 PHE C C 175.518 0.300 1 155 22 22 PHE HB2 H 3.513 0.030 2 156 23 23 GLY N N 108.429 0.300 1 157 23 23 GLY H H 9.218 0.030 1 158 23 23 GLY CA C 46.310 0.300 1 159 23 23 GLY HA3 H 4.441 0.030 2 160 23 23 GLY C C 173.456 0.300 1 161 23 23 GLY HA2 H 4.101 0.030 2 162 24 24 LEU N N 117.612 0.300 1 163 24 24 LEU H H 7.590 0.030 1 164 24 24 LEU CA C 53.046 0.300 1 165 24 24 LEU HA H 4.876 0.030 1 166 24 24 LEU CB C 45.217 0.300 1 167 24 24 LEU HB3 H 1.622 0.030 1 168 24 24 LEU CG C 26.946 0.300 1 169 24 24 LEU HG H 1.665 0.030 1 170 24 24 LEU CD1 C 25.425 0.300 2 171 24 24 LEU HD1 H 0.955 0.030 1 172 24 24 LEU CD2 C 23.495 0.300 2 173 24 24 LEU HD2 H 1.020 0.030 1 174 24 24 LEU C C 177.375 0.300 1 175 24 24 LEU HB2 H 1.622 0.030 1 176 25 25 SER N N 121.264 0.300 1 177 25 25 SER H H 8.392 0.030 1 178 25 25 SER CA C 61.134 0.300 1 179 25 25 SER HA H 3.053 0.030 1 180 25 25 SER CB C 61.763 0.300 1 181 25 25 SER HB3 H 3.401 0.030 2 182 25 25 SER HB2 H 3.235 0.030 2 183 26 26 ALA N N 120.264 0.300 1 184 26 26 ALA H H 8.540 0.030 1 185 26 26 ALA CA C 54.998 0.300 1 186 26 26 ALA HA H 3.941 0.030 1 187 26 26 ALA CB C 18.632 0.300 1 188 26 26 ALA HB H 1.340 0.030 1 189 26 26 ALA C C 180.701 0.300 1 190 27 27 GLU N N 114.495 0.300 1 191 27 27 GLU H H 6.760 0.030 1 192 27 27 GLU CA C 58.170 0.300 1 193 27 27 GLU HA H 3.847 0.030 1 194 27 27 GLU CB C 30.158 0.300 1 195 27 27 GLU HB3 H 2.013 0.030 2 196 27 27 GLU CG C 37.218 0.300 1 197 27 27 GLU HG3 H 2.347 0.030 2 198 27 27 GLU C C 178.856 0.300 1 199 27 27 GLU HB2 H 2.395 0.030 2 200 27 27 GLU HG2 H 2.264 0.030 2 201 28 28 LEU N N 121.928 0.300 1 202 28 28 LEU H H 6.961 0.030 1 203 28 28 LEU CA C 57.950 0.300 1 204 28 28 LEU HA H 3.347 0.030 1 205 28 28 LEU CB C 40.130 0.300 1 206 28 28 LEU HB3 H 1.305 0.030 2 207 28 28 LEU CG C 27.659 0.300 1 208 28 28 LEU HG H 1.554 0.030 1 209 28 28 LEU CD1 C 26.199 0.300 2 210 28 28 LEU HD1 H 1.050 0.030 1 211 28 28 LEU CD2 C 22.912 0.300 2 212 28 28 LEU HD2 H 1.101 0.030 1 213 28 28 LEU C C 177.702 0.300 1 214 28 28 LEU HB2 H 2.068 0.030 2 215 29 29 VAL N N 119.082 0.300 1 216 29 29 VAL H H 8.093 0.030 1 217 29 29 VAL CA C 66.576 0.300 1 218 29 29 VAL HA H 3.614 0.030 1 219 29 29 VAL CB C 31.696 0.300 1 220 29 29 VAL HB H 1.916 0.030 1 221 29 29 VAL CG1 C 22.502 0.300 2 222 29 29 VAL HG1 H 0.963 0.030 1 223 29 29 VAL CG2 C 20.983 0.300 2 224 29 29 VAL HG2 H 0.877 0.030 1 225 29 29 VAL C C 178.880 0.300 1 226 30 30 ARG N N 117.780 0.300 1 227 30 30 ARG H H 7.334 0.030 1 228 30 30 ARG CA C 59.465 0.300 1 229 30 30 ARG HA H 3.919 0.030 1 230 30 30 ARG CB C 30.372 0.300 1 231 30 30 ARG HB3 H 1.782 0.030 1 232 30 30 ARG CG C 27.721 0.300 1 233 30 30 ARG HG3 H 1.723 0.030 2 234 30 30 ARG CD C 43.479 0.300 1 235 30 30 ARG C C 178.976 0.300 1 236 30 30 ARG HB2 H 1.782 0.030 1 237 30 30 ARG HD2 H 3.187 0.030 2 238 30 30 ARG HG2 H 1.541 0.030 2 239 31 31 HIS N N 118.952 0.300 1 240 31 31 HIS H H 7.707 0.030 1 241 31 31 HIS CA C 59.106 0.300 1 242 31 31 HIS HA H 4.197 0.030 1 243 31 31 HIS CB C 28.625 0.300 1 244 31 31 HIS HB3 H 2.881 0.030 2 245 31 31 HIS CD2 C 127.346 0.300 1 246 31 31 HIS HD2 H 7.056 0.030 1 247 31 31 HIS CE1 C 139.679 0.300 1 248 31 31 HIS HE1 H 8.090 0.030 1 249 31 31 HIS C C 176.294 0.300 1 250 31 31 HIS HB2 H 3.127 0.030 2 251 32 32 GLN N N 114.837 0.300 1 252 32 32 GLN H H 8.512 0.030 1 253 32 32 GLN CA C 59.527 0.300 1 254 32 32 GLN HA H 3.682 0.030 1 255 32 32 GLN CB C 28.414 0.300 1 256 32 32 GLN HB3 H 2.372 0.030 2 257 32 32 GLN CG C 35.937 0.300 1 258 32 32 GLN HG3 H 2.954 0.030 2 259 32 32 GLN NE2 N 112.527 0.300 1 260 32 32 GLN HE21 H 7.232 0.030 2 261 32 32 GLN HE22 H 7.592 0.030 2 262 32 32 GLN C C 177.046 0.300 1 263 32 32 GLN HB2 H 2.242 0.030 2 264 32 32 GLN HG2 H 2.876 0.030 2 265 33 33 ARG N N 117.734 0.300 1 266 33 33 ARG H H 7.088 0.030 1 267 33 33 ARG CA C 58.432 0.300 1 268 33 33 ARG HA H 4.115 0.030 1 269 33 33 ARG CB C 30.016 0.300 1 270 33 33 ARG HB3 H 1.854 0.030 2 271 33 33 ARG CG C 27.592 0.300 1 272 33 33 ARG HG3 H 1.841 0.030 2 273 33 33 ARG CD C 43.479 0.300 1 274 33 33 ARG C C 178.394 0.300 1 275 33 33 ARG HB2 H 1.760 0.030 2 276 33 33 ARG HD2 H 3.191 0.030 2 277 33 33 ARG HG2 H 1.661 0.030 2 278 34 34 ILE N N 115.478 0.300 1 279 34 34 ILE H H 7.677 0.030 1 280 34 34 ILE CA C 63.060 0.300 1 281 34 34 ILE HA H 3.947 0.030 1 282 34 34 ILE CB C 37.660 0.300 1 283 34 34 ILE HB H 1.646 0.030 1 284 34 34 ILE CG1 C 26.303 0.300 1 285 34 34 ILE HG13 H 0.590 0.030 2 286 34 34 ILE CG2 C 16.338 0.300 1 287 34 34 ILE HG2 H 0.547 0.030 1 288 34 34 ILE CD1 C 14.441 0.300 1 289 34 34 ILE HD1 H 0.668 0.030 1 290 34 34 ILE C C 177.059 0.300 1 291 34 34 ILE HG12 H 0.870 0.030 2 292 35 35 HIS N N 117.439 0.300 1 293 35 35 HIS H H 7.180 0.030 1 294 35 35 HIS CA C 54.820 0.300 1 295 35 35 HIS HA H 4.666 0.030 1 296 35 35 HIS CB C 28.012 0.300 1 297 35 35 HIS HB3 H 2.356 0.030 2 298 35 35 HIS CD2 C 128.363 0.300 1 299 35 35 HIS HD2 H 6.618 0.030 1 300 35 35 HIS CE1 C 140.250 0.300 1 301 35 35 HIS HE1 H 8.112 0.030 1 302 35 35 HIS C C 175.578 0.300 1 303 35 35 HIS HB2 H 2.585 0.030 2 304 36 36 THR N N 111.209 0.300 1 305 36 36 THR H H 7.590 0.030 1 306 36 36 THR CA C 62.494 0.300 1 307 36 36 THR HA H 4.246 0.030 1 308 36 36 THR CB C 69.710 0.300 1 309 36 36 THR HB H 4.287 0.030 1 310 36 36 THR CG2 C 21.323 0.300 1 311 36 36 THR HG2 H 1.174 0.030 1 312 36 36 THR C C 175.421 0.300 1 313 37 37 GLY N N 110.931 0.300 1 314 37 37 GLY H H 8.251 0.030 1 315 37 37 GLY CA C 45.328 0.300 1 316 37 37 GLY HA3 H 4.007 0.030 2 317 37 37 GLY HA2 H 3.933 0.030 2 318 38 38 GLU N N 120.496 0.300 1 319 38 38 GLU H H 8.060 0.030 1 320 38 38 GLU CA C 56.420 0.300 1 321 38 38 GLU HA H 4.251 0.030 1 322 38 38 GLU CB C 30.580 0.300 1 323 38 38 GLU HB3 H 1.992 0.030 2 324 38 38 GLU CG C 36.324 0.300 1 325 38 38 GLU HG3 H 2.219 0.030 1 326 38 38 GLU HB2 H 1.884 0.030 2 327 38 38 GLU HG2 H 2.219 0.030 1 328 39 39 LYS N N 123.793 0.300 1 329 39 39 LYS H H 8.427 0.030 1 330 39 39 LYS CA C 54.155 0.300 1 331 39 39 LYS HA H 4.574 0.030 1 332 39 39 LYS CB C 32.536 0.300 1 333 39 39 LYS HB3 H 1.703 0.030 2 334 39 39 LYS CG C 24.508 0.300 1 335 39 39 LYS HG3 H 1.430 0.030 1 336 39 39 LYS CD C 29.171 0.300 1 337 39 39 LYS HD3 H 1.669 0.030 1 338 39 39 LYS CE C 42.182 0.300 1 339 39 39 LYS HE3 H 2.979 0.030 1 340 39 39 LYS HB2 H 1.794 0.030 2 341 39 39 LYS HD2 H 1.669 0.030 1 342 39 39 LYS HE2 H 2.979 0.030 1 343 39 39 LYS HG2 H 1.430 0.030 1 344 40 40 PRO CA C 63.229 0.300 1 345 40 40 PRO HA H 4.432 0.030 1 346 40 40 PRO CB C 32.117 0.300 1 347 40 40 PRO HB3 H 1.919 0.030 2 348 40 40 PRO CG C 27.392 0.300 1 349 40 40 PRO HG3 H 2.023 0.030 2 350 40 40 PRO CD C 50.668 0.300 1 351 40 40 PRO HD3 H 3.795 0.030 2 352 40 40 PRO HB2 H 2.261 0.030 2 353 40 40 PRO HD2 H 3.618 0.030 2 354 40 40 PRO HG2 H 1.969 0.030 2 355 41 41 SER N N 116.420 0.300 1 356 41 41 SER H H 8.435 0.030 1 357 43 43 PRO CA C 63.289 0.300 1 358 43 43 PRO HA H 4.477 0.030 1 359 43 43 PRO CB C 32.212 0.300 1 360 43 43 PRO HB3 H 2.294 0.030 2 361 43 43 PRO CG C 27.170 0.300 1 362 43 43 PRO HG3 H 2.014 0.030 1 363 43 43 PRO CD C 49.798 0.300 1 364 43 43 PRO HD3 H 3.622 0.030 1 365 43 43 PRO HB2 H 1.983 0.030 2 366 43 43 PRO HD2 H 3.622 0.030 1 367 43 43 PRO HG2 H 2.014 0.030 1 368 45 45 SER CA C 58.417 0.300 1 369 45 45 SER HA H 4.517 0.030 1 370 45 45 SER CB C 63.947 0.300 1 371 45 45 SER C C 173.927 0.300 1 372 45 45 SER HB2 H 3.887 0.030 2 373 46 46 GLY N N 116.861 0.300 1 374 46 46 GLY H H 8.041 0.030 1 375 46 46 GLY CA C 46.188 0.300 1 376 46 46 GLY C C 179.001 0.300 1 stop_ save_