data_10208 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 315-345) of human Zinc finger protein 473 ; _BMRB_accession_number 10208 _BMRB_flat_file_name bmr10208.str _Entry_type original _Submission_date 2008-03-18 _Accession_date 2008-03-18 _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" 203 "13C chemical shifts" 147 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-18 original author . stop_ _Original_release_date 2009-03-18 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 315-345) 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 44 _Mol_residue_sequence ; GSSGSSGTDSKSYNCNECGK AFTRIFHLTRHQKIHTRKSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 ASP 10 SER 11 LYS 12 SER 13 TYR 14 ASN 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 THR 24 ARG 25 ILE 26 PHE 27 HIS 28 LEU 29 THR 30 ARG 31 HIS 32 GLN 33 LYS 34 ILE 35 HIS 36 THR 37 ARG 38 LYS 39 SER 40 GLY 41 PRO 42 SER 43 SER 44 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 2EOX "Solution Structure Of The C2h2 Type Zinc Finger (Region 315- 345) Of Human Zinc Finger Protein 473" 100.00 44 100.00 100.00 4.09e-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 P070115-23 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 900 _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 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 7 7 GLY CA C 45.484 0.300 1 2 7 7 GLY HA2 H 4.025 0.030 1 3 7 7 GLY HA3 H 4.025 0.030 1 4 7 7 GLY C C 174.529 0.300 1 5 8 8 THR N N 113.203 0.300 1 6 8 8 THR H H 8.121 0.030 1 7 8 8 THR CA C 61.909 0.300 1 8 8 8 THR HA H 4.352 0.030 1 9 8 8 THR CB C 69.714 0.300 1 10 8 8 THR HB H 4.307 0.030 1 11 8 8 THR CG2 C 21.539 0.300 1 12 8 8 THR HG2 H 1.158 0.030 1 13 8 8 THR C C 174.447 0.300 1 14 9 9 ASP N N 122.758 0.300 1 15 9 9 ASP H H 8.411 0.030 1 16 9 9 ASP CA C 54.415 0.300 1 17 9 9 ASP HA H 4.660 0.030 1 18 9 9 ASP CB C 41.177 0.300 1 19 9 9 ASP HB2 H 2.733 0.030 2 20 9 9 ASP HB3 H 2.647 0.030 2 21 9 9 ASP C C 176.142 0.300 1 22 10 10 SER N N 116.278 0.300 1 23 10 10 SER H H 8.205 0.030 1 24 10 10 SER CA C 58.390 0.300 1 25 10 10 SER HA H 4.400 0.030 1 26 10 10 SER CB C 63.777 0.300 1 27 10 10 SER HB2 H 3.819 0.030 1 28 10 10 SER HB3 H 3.819 0.030 1 29 10 10 SER C C 174.207 0.300 1 30 11 11 LYS N N 123.340 0.300 1 31 11 11 LYS H H 8.288 0.030 1 32 11 11 LYS CA C 55.992 0.300 1 33 11 11 LYS HA H 4.254 0.030 1 34 11 11 LYS CB C 33.080 0.300 1 35 11 11 LYS HB2 H 1.661 0.030 1 36 11 11 LYS HB3 H 1.661 0.030 1 37 11 11 LYS CG C 24.698 0.300 1 38 11 11 LYS HG2 H 1.305 0.030 2 39 11 11 LYS HG3 H 1.266 0.030 2 40 11 11 LYS CD C 28.974 0.300 1 41 11 11 LYS HD2 H 1.617 0.030 1 42 11 11 LYS HD3 H 1.617 0.030 1 43 11 11 LYS CE C 42.193 0.300 1 44 11 11 LYS HE2 H 2.934 0.030 1 45 11 11 LYS HE3 H 2.934 0.030 1 46 11 11 LYS C C 175.464 0.300 1 47 12 12 SER N N 115.376 0.300 1 48 12 12 SER H H 7.783 0.030 1 49 12 12 SER CA C 57.470 0.300 1 50 12 12 SER HA H 4.484 0.030 1 51 12 12 SER CB C 64.666 0.300 1 52 12 12 SER HB2 H 3.575 0.030 1 53 12 12 SER HB3 H 3.575 0.030 1 54 12 12 SER C C 172.585 0.300 1 55 13 13 TYR N N 122.308 0.300 1 56 13 13 TYR H H 8.678 0.030 1 57 13 13 TYR CA C 57.124 0.300 1 58 13 13 TYR HA H 4.644 0.030 1 59 13 13 TYR CB C 39.856 0.300 1 60 13 13 TYR HB2 H 3.003 0.030 2 61 13 13 TYR HB3 H 2.596 0.030 2 62 13 13 TYR CD1 C 133.212 0.300 1 63 13 13 TYR HD1 H 6.896 0.030 1 64 13 13 TYR CD2 C 133.212 0.300 1 65 13 13 TYR HD2 H 6.896 0.030 1 66 13 13 TYR CE1 C 118.030 0.300 1 67 13 13 TYR HE1 H 6.752 0.030 1 68 13 13 TYR CE2 C 118.030 0.300 1 69 13 13 TYR HE2 H 6.752 0.030 1 70 13 13 TYR C C 174.849 0.300 1 71 14 14 ASN N N 121.239 0.300 1 72 14 14 ASN H H 8.692 0.030 1 73 14 14 ASN CA C 52.525 0.300 1 74 14 14 ASN HA H 5.463 0.030 1 75 14 14 ASN CB C 40.600 0.300 1 76 14 14 ASN HB2 H 2.513 0.030 2 77 14 14 ASN HB3 H 2.396 0.030 2 78 14 14 ASN ND2 N 111.640 0.300 1 79 14 14 ASN HD21 H 7.202 0.030 2 80 14 14 ASN HD22 H 6.711 0.030 2 81 14 14 ASN C C 174.400 0.300 1 82 15 15 CYS N N 124.052 0.300 1 83 15 15 CYS H H 9.215 0.030 1 84 15 15 CYS CA C 59.463 0.300 1 85 15 15 CYS HA H 4.541 0.030 1 86 15 15 CYS CB C 29.688 0.300 1 87 15 15 CYS HB2 H 2.868 0.030 2 88 15 15 CYS HB3 H 3.384 0.030 2 89 15 15 CYS C C 177.069 0.300 1 90 16 16 ASN N N 130.116 0.300 1 91 16 16 ASN H H 9.386 0.030 1 92 16 16 ASN CA C 55.613 0.300 1 93 16 16 ASN HA H 4.515 0.030 1 94 16 16 ASN CB C 38.236 0.300 1 95 16 16 ASN HB2 H 2.889 0.030 1 96 16 16 ASN HB3 H 2.889 0.030 1 97 16 16 ASN ND2 N 113.219 0.300 1 98 16 16 ASN HD21 H 7.669 0.030 2 99 16 16 ASN HD22 H 6.985 0.030 2 100 16 16 ASN C C 175.385 0.300 1 101 17 17 GLU N N 120.832 0.300 1 102 17 17 GLU H H 8.687 0.030 1 103 17 17 GLU CA C 58.362 0.300 1 104 17 17 GLU HA H 4.224 0.030 1 105 17 17 GLU CB C 29.626 0.300 1 106 17 17 GLU HB2 H 1.328 0.030 1 107 17 17 GLU HB3 H 1.328 0.030 1 108 17 17 GLU CG C 35.718 0.300 1 109 17 17 GLU HG2 H 1.900 0.030 2 110 17 17 GLU HG3 H 1.768 0.030 2 111 17 17 GLU C C 177.037 0.300 1 112 18 18 CYS N N 114.739 0.300 1 113 18 18 CYS H H 7.888 0.030 1 114 18 18 CYS CA C 58.338 0.300 1 115 18 18 CYS HA H 5.145 0.030 1 116 18 18 CYS CB C 32.372 0.300 1 117 18 18 CYS HB2 H 2.857 0.030 2 118 18 18 CYS HB3 H 3.426 0.030 2 119 18 18 CYS C C 176.190 0.300 1 120 19 19 GLY N N 113.385 0.300 1 121 19 19 GLY H H 8.188 0.030 1 122 19 19 GLY CA C 46.207 0.300 1 123 19 19 GLY HA2 H 3.890 0.030 2 124 19 19 GLY HA3 H 4.212 0.030 2 125 19 19 GLY C C 174.091 0.300 1 126 20 20 LYS N N 123.027 0.300 1 127 20 20 LYS H H 7.879 0.030 1 128 20 20 LYS CA C 58.200 0.300 1 129 20 20 LYS HA H 3.916 0.030 1 130 20 20 LYS CB C 33.874 0.300 1 131 20 20 LYS HB2 H 1.193 0.030 2 132 20 20 LYS HB3 H 1.446 0.030 2 133 20 20 LYS CG C 26.135 0.300 1 134 20 20 LYS HG2 H 1.044 0.030 2 135 20 20 LYS HG3 H 1.377 0.030 2 136 20 20 LYS CD C 29.175 0.300 1 137 20 20 LYS HD2 H 1.495 0.030 2 138 20 20 LYS HD3 H 1.415 0.030 2 139 20 20 LYS CE C 42.124 0.300 1 140 20 20 LYS HE2 H 2.969 0.030 2 141 20 20 LYS HE3 H 2.887 0.030 2 142 20 20 LYS C C 173.619 0.300 1 143 21 21 ALA N N 124.096 0.300 1 144 21 21 ALA H H 7.788 0.030 1 145 21 21 ALA CA C 50.996 0.300 1 146 21 21 ALA HA H 4.931 0.030 1 147 21 21 ALA CB C 21.943 0.300 1 148 21 21 ALA HB H 1.159 0.030 1 149 21 21 ALA C C 176.797 0.300 1 150 22 22 PHE N N 117.342 0.300 1 151 22 22 PHE H H 8.610 0.030 1 152 22 22 PHE CA C 57.093 0.300 1 153 22 22 PHE HA H 4.858 0.030 1 154 22 22 PHE CB C 43.718 0.300 1 155 22 22 PHE HB2 H 2.823 0.030 2 156 22 22 PHE HB3 H 3.454 0.030 2 157 22 22 PHE CD1 C 132.570 0.300 1 158 22 22 PHE HD1 H 7.314 0.030 1 159 22 22 PHE CD2 C 132.570 0.300 1 160 22 22 PHE HD2 H 7.314 0.030 1 161 22 22 PHE CE1 C 130.602 0.300 1 162 22 22 PHE HE1 H 6.829 0.030 1 163 22 22 PHE CE2 C 130.602 0.300 1 164 22 22 PHE HE2 H 6.829 0.030 1 165 22 22 PHE CZ C 128.702 0.300 1 166 22 22 PHE HZ H 6.204 0.030 1 167 22 22 PHE C C 175.933 0.300 1 168 23 23 THR CA C 62.823 0.300 1 169 23 23 THR HA H 4.685 0.030 1 170 23 23 THR CB C 69.904 0.300 1 171 23 23 THR HB H 4.510 0.030 1 172 23 23 THR CG2 C 22.238 0.300 1 173 23 23 THR HG2 H 1.319 0.030 1 174 23 23 THR C C 175.088 0.300 1 175 24 24 ARG N N 116.983 0.300 1 176 24 24 ARG H H 7.249 0.030 1 177 24 24 ARG CA C 53.376 0.300 1 178 24 24 ARG HA H 4.789 0.030 1 179 24 24 ARG CB C 33.354 0.300 1 180 24 24 ARG HB2 H 0.869 0.030 2 181 24 24 ARG HB3 H 1.383 0.030 2 182 24 24 ARG CG C 26.565 0.300 1 183 24 24 ARG HG2 H 1.505 0.030 2 184 24 24 ARG HG3 H 1.603 0.030 2 185 24 24 ARG CD C 43.090 0.300 1 186 24 24 ARG HD2 H 3.109 0.030 2 187 24 24 ARG HD3 H 3.245 0.030 2 188 24 24 ARG C C 177.127 0.300 1 189 25 25 ILE N N 126.047 0.300 1 190 25 25 ILE H H 8.578 0.030 1 191 25 25 ILE CA C 63.728 0.300 1 192 25 25 ILE HA H 3.203 0.030 1 193 25 25 ILE CB C 37.142 0.300 1 194 25 25 ILE HB H 1.246 0.030 1 195 25 25 ILE CG1 C 29.069 0.300 1 196 25 25 ILE HG12 H 0.970 0.030 2 197 25 25 ILE HG13 H 0.853 0.030 2 198 25 25 ILE CG2 C 17.014 0.300 1 199 25 25 ILE HG2 H 0.761 0.030 1 200 25 25 ILE CD1 C 13.272 0.300 1 201 25 25 ILE HD1 H 0.706 0.030 1 202 25 25 ILE C C 176.844 0.300 1 203 26 26 PHE CA C 59.118 0.300 1 204 26 26 PHE HA H 4.429 0.030 1 205 26 26 PHE CB C 38.494 0.300 1 206 26 26 PHE HB2 H 2.728 0.030 2 207 26 26 PHE HB3 H 3.190 0.030 2 208 26 26 PHE CD1 C 131.746 0.300 1 209 26 26 PHE HD1 H 6.980 0.030 1 210 26 26 PHE CD2 C 131.746 0.300 1 211 26 26 PHE HD2 H 6.980 0.030 1 212 26 26 PHE CZ C 130.146 0.300 1 213 26 26 PHE HZ H 7.280 0.030 1 214 26 26 PHE C C 177.609 0.300 1 215 27 27 HIS N N 117.282 0.300 1 216 27 27 HIS H H 6.564 0.030 1 217 27 27 HIS CA C 57.363 0.300 1 218 27 27 HIS HA H 4.358 0.030 1 219 27 27 HIS CB C 31.719 0.300 1 220 27 27 HIS HB2 H 3.237 0.030 1 221 27 27 HIS HB3 H 3.237 0.030 1 222 27 27 HIS CD2 C 116.588 0.300 1 223 27 27 HIS HD2 H 6.788 0.030 1 224 27 27 HIS C C 178.164 0.300 1 225 28 28 LEU N N 122.177 0.300 1 226 28 28 LEU H H 7.044 0.030 1 227 28 28 LEU CA C 58.040 0.300 1 228 28 28 LEU HA H 3.196 0.030 1 229 28 28 LEU CB C 40.283 0.300 1 230 28 28 LEU HB2 H 1.204 0.030 2 231 28 28 LEU HB3 H 2.046 0.030 2 232 28 28 LEU CG C 27.497 0.300 1 233 28 28 LEU HG H 1.432 0.030 1 234 28 28 LEU CD1 C 22.897 0.300 2 235 28 28 LEU HD1 H 0.976 0.030 1 236 28 28 LEU CD2 C 26.260 0.300 2 237 28 28 LEU HD2 H 0.921 0.030 1 238 28 28 LEU C C 177.790 0.300 1 239 29 29 THR N N 114.476 0.300 1 240 29 29 THR H H 8.616 0.030 1 241 29 29 THR CA C 66.015 0.300 1 242 29 29 THR HA H 3.943 0.030 1 243 29 29 THR CB C 68.316 0.300 1 244 29 29 THR HB H 4.083 0.030 1 245 29 29 THR CG2 C 21.986 0.300 1 246 29 29 THR HG2 H 1.178 0.030 1 247 29 29 THR C C 177.269 0.300 1 248 30 30 ARG N N 120.519 0.300 1 249 30 30 ARG H H 7.354 0.030 1 250 30 30 ARG CA C 59.260 0.300 1 251 30 30 ARG HA H 3.948 0.030 1 252 30 30 ARG CB C 30.125 0.300 1 253 30 30 ARG HB2 H 1.764 0.030 2 254 30 30 ARG HB3 H 1.722 0.030 2 255 30 30 ARG CG C 26.953 0.300 1 256 30 30 ARG HG2 H 1.619 0.030 2 257 30 30 ARG HG3 H 1.511 0.030 2 258 30 30 ARG CD C 43.582 0.300 1 259 30 30 ARG HD2 H 3.107 0.030 2 260 30 30 ARG HD3 H 3.075 0.030 2 261 30 30 ARG C C 178.650 0.300 1 262 31 31 HIS N N 119.426 0.300 1 263 31 31 HIS H H 7.522 0.030 1 264 31 31 HIS CA C 59.079 0.300 1 265 31 31 HIS HA H 4.191 0.030 1 266 31 31 HIS CB C 28.539 0.300 1 267 31 31 HIS HB2 H 2.913 0.030 2 268 31 31 HIS HB3 H 3.145 0.030 2 269 31 31 HIS CD2 C 127.219 0.300 1 270 31 31 HIS HD2 H 6.911 0.030 1 271 31 31 HIS CE1 C 139.567 0.300 1 272 31 31 HIS HE1 H 8.034 0.030 1 273 31 31 HIS C C 176.154 0.300 1 274 32 32 GLN N N 114.933 0.300 1 275 32 32 GLN H H 8.342 0.030 1 276 32 32 GLN CA C 59.352 0.300 1 277 32 32 GLN HA H 3.629 0.030 1 278 32 32 GLN CB C 28.360 0.300 1 279 32 32 GLN HB2 H 2.278 0.030 2 280 32 32 GLN HB3 H 2.179 0.030 2 281 32 32 GLN CG C 35.540 0.300 1 282 32 32 GLN HG2 H 2.814 0.030 1 283 32 32 GLN HG3 H 2.814 0.030 1 284 32 32 GLN NE2 N 112.518 0.300 1 285 32 32 GLN HE21 H 7.619 0.030 2 286 32 32 GLN HE22 H 7.008 0.030 2 287 32 32 GLN C C 177.376 0.300 1 288 33 33 LYS N N 117.471 0.300 1 289 33 33 LYS H H 7.047 0.030 1 290 33 33 LYS CA C 58.359 0.300 1 291 33 33 LYS HA H 4.059 0.030 1 292 33 33 LYS CB C 32.214 0.300 1 293 33 33 LYS HB2 H 1.854 0.030 2 294 33 33 LYS HB3 H 1.783 0.030 2 295 33 33 LYS CG C 25.033 0.300 1 296 33 33 LYS HG2 H 1.483 0.030 2 297 33 33 LYS HG3 H 1.613 0.030 2 298 33 33 LYS CD C 28.942 0.300 1 299 33 33 LYS HD2 H 1.676 0.030 1 300 33 33 LYS HD3 H 1.676 0.030 1 301 33 33 LYS CE C 42.064 0.300 1 302 33 33 LYS HE2 H 2.953 0.030 1 303 33 33 LYS HE3 H 2.953 0.030 1 304 33 33 LYS C C 178.607 0.300 1 305 34 34 ILE N N 115.534 0.300 1 306 34 34 ILE H H 7.799 0.030 1 307 34 34 ILE CA C 62.935 0.300 1 308 34 34 ILE HA H 3.978 0.030 1 309 34 34 ILE CB C 37.719 0.300 1 310 34 34 ILE HB H 1.704 0.030 1 311 34 34 ILE CG1 C 26.441 0.300 1 312 34 34 ILE HG12 H 0.673 0.030 2 313 34 34 ILE HG13 H 0.906 0.030 2 314 34 34 ILE CG2 C 16.477 0.300 1 315 34 34 ILE HG2 H 0.566 0.030 1 316 34 34 ILE CD1 C 14.514 0.300 1 317 34 34 ILE HD1 H 0.678 0.030 1 318 34 34 ILE C C 177.151 0.300 1 319 35 35 HIS N N 117.940 0.300 1 320 35 35 HIS H H 7.211 0.030 1 321 35 35 HIS CA C 54.796 0.300 1 322 35 35 HIS HA H 4.831 0.030 1 323 35 35 HIS CB C 28.553 0.300 1 324 35 35 HIS HB2 H 3.332 0.030 2 325 35 35 HIS HB3 H 3.165 0.030 2 326 35 35 HIS CD2 C 127.625 0.300 1 327 35 35 HIS HD2 H 6.724 0.030 1 328 35 35 HIS CE1 C 139.928 0.300 1 329 35 35 HIS HE1 H 8.053 0.030 1 330 35 35 HIS C C 175.116 0.300 1 331 36 36 THR N N 113.656 0.300 1 332 36 36 THR H H 7.712 0.030 1 333 36 36 THR CA C 62.445 0.300 1 334 36 36 THR HA H 4.288 0.030 1 335 36 36 THR CB C 69.822 0.300 1 336 36 36 THR HB H 4.221 0.030 1 337 36 36 THR CG2 C 21.682 0.300 1 338 36 36 THR HG2 H 1.224 0.030 1 339 36 36 THR C C 174.481 0.300 1 340 37 37 ARG N N 123.945 0.300 1 341 37 37 ARG H H 8.264 0.030 1 342 37 37 ARG CA C 56.202 0.300 1 343 37 37 ARG HA H 4.357 0.030 1 344 37 37 ARG CB C 30.808 0.300 1 345 37 37 ARG HB2 H 1.856 0.030 2 346 37 37 ARG HB3 H 1.785 0.030 2 347 37 37 ARG CG C 27.014 0.300 1 348 37 37 ARG HG2 H 1.632 0.030 1 349 37 37 ARG HG3 H 1.632 0.030 1 350 37 37 ARG CD C 43.445 0.300 1 351 37 37 ARG HD2 H 3.190 0.030 1 352 37 37 ARG HD3 H 3.190 0.030 1 353 38 38 LYS N N 128.503 0.300 1 354 38 38 LYS H H 8.048 0.030 1 355 38 38 LYS CA C 57.651 0.300 1 356 38 38 LYS HA H 4.147 0.030 1 357 38 38 LYS CB C 33.710 0.300 1 358 38 38 LYS HB2 H 1.800 0.030 2 359 38 38 LYS HB3 H 1.689 0.030 2 360 38 38 LYS CG C 24.773 0.300 1 361 38 38 LYS HG2 H 1.380 0.030 1 362 38 38 LYS HG3 H 1.380 0.030 1 363 38 38 LYS CD C 29.108 0.300 1 364 38 38 LYS HD2 H 1.417 0.030 1 365 38 38 LYS HD3 H 1.417 0.030 1 366 38 38 LYS CE C 42.359 0.300 1 367 38 38 LYS HE2 H 2.951 0.030 1 368 38 38 LYS HE3 H 2.951 0.030 1 369 40 40 GLY CA C 44.605 0.300 1 370 40 40 GLY HA2 H 4.130 0.030 1 371 40 40 GLY HA3 H 4.130 0.030 1 372 41 41 PRO CA C 63.289 0.300 1 373 41 41 PRO HA H 4.468 0.030 1 374 41 41 PRO CB C 32.206 0.300 1 375 41 41 PRO HB2 H 2.289 0.030 2 376 41 41 PRO HB3 H 1.978 0.030 2 377 41 41 PRO CG C 27.124 0.300 1 378 41 41 PRO HG2 H 2.010 0.030 1 379 41 41 PRO HG3 H 2.010 0.030 1 380 41 41 PRO CD C 49.769 0.300 1 381 41 41 PRO HD2 H 3.619 0.030 1 382 41 41 PRO HD3 H 3.619 0.030 1 stop_ save_