data_10172 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 395-427) of human Zinc finger protein 224 ; _BMRB_accession_number 10172 _BMRB_flat_file_name bmr10172.str _Entry_type original _Submission_date 2008-01-31 _Accession_date 2008-02-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 195 "13C chemical shifts" 138 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-24 original author . stop_ _Original_release_date 2009-02-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 type zinc finger (region 395-427) of human Zinc finger protein 224 ; _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 224' _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 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSGEKPFKCEECGK GFYTNSQCYSHQRSHSGEKP 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 PHE 14 LYS 15 CYS 16 GLU 17 GLU 18 CYS 19 GLY 20 LYS 21 GLY 22 PHE 23 TYR 24 THR 25 ASN 26 SER 27 GLN 28 CYS 29 TYR 30 SER 31 HIS 32 GLN 33 ARG 34 SER 35 HIS 36 SER 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 2ENC "Solution Structure Of The C2h2 Type Zinc Finger (Region 395- 427) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 2.72e-21 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 P061225-24 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 45.245 0.300 1 2 9 9 GLY HA3 H 3.924 0.030 1 3 9 9 GLY C C 174.036 0.300 1 4 9 9 GLY HA2 H 3.924 0.030 1 5 10 10 GLU N N 120.696 0.300 1 6 10 10 GLU H H 8.207 0.030 1 7 10 10 GLU CA C 56.534 0.300 1 8 10 10 GLU HA H 4.133 0.030 1 9 10 10 GLU CB C 30.333 0.300 1 10 10 10 GLU HB3 H 1.847 0.030 2 11 10 10 GLU CG C 36.085 0.300 1 12 10 10 GLU HG3 H 2.164 0.030 1 13 10 10 GLU C C 175.895 0.300 1 14 10 10 GLU HB2 H 1.899 0.030 2 15 10 10 GLU HG2 H 2.164 0.030 1 16 11 11 LYS N N 122.388 0.300 1 17 11 11 LYS H H 8.194 0.030 1 18 11 11 LYS CA C 53.829 0.300 1 19 11 11 LYS HA H 4.210 0.030 1 20 11 11 LYS CB C 31.954 0.300 1 21 11 11 LYS HB3 H 1.120 0.030 2 22 11 11 LYS CG C 24.874 0.300 1 23 11 11 LYS HG3 H 0.891 0.030 2 24 11 11 LYS CD C 29.268 0.300 1 25 11 11 LYS HD3 H 0.939 0.030 2 26 11 11 LYS CE C 42.051 0.300 1 27 11 11 LYS HE3 H 2.534 0.030 2 28 11 11 LYS C C 174.474 0.300 1 29 11 11 LYS HB2 H 1.295 0.030 2 30 11 11 LYS HD2 H 1.004 0.030 2 31 11 11 LYS HE2 H 2.584 0.030 2 32 11 11 LYS HG2 H 0.272 0.030 2 33 12 12 PRO CA C 64.016 0.300 1 34 12 12 PRO HA H 4.100 0.030 1 35 12 12 PRO CB C 32.091 0.300 1 36 12 12 PRO HB3 H 1.141 0.030 2 37 12 12 PRO CG C 26.866 0.300 1 38 12 12 PRO HG3 H 1.793 0.030 2 39 12 12 PRO CD C 50.782 0.300 1 40 12 12 PRO HD3 H 3.690 0.030 2 41 12 12 PRO C C 176.288 0.300 1 42 12 12 PRO HB2 H 1.940 0.030 2 43 12 12 PRO HD2 H 3.806 0.030 2 44 12 12 PRO HG2 H 1.872 0.030 2 45 13 13 PHE N N 117.244 0.300 1 46 13 13 PHE H H 7.539 0.030 1 47 13 13 PHE CA C 57.505 0.300 1 48 13 13 PHE HA H 4.650 0.030 1 49 13 13 PHE CB C 39.645 0.300 1 50 13 13 PHE HB3 H 3.010 0.030 2 51 13 13 PHE CD1 C 132.090 0.300 1 52 13 13 PHE HD1 H 7.058 0.030 1 53 13 13 PHE CD2 C 132.090 0.300 1 54 13 13 PHE HD2 H 7.058 0.030 1 55 13 13 PHE CE1 C 131.319 0.300 1 56 13 13 PHE HE1 H 7.358 0.030 1 57 13 13 PHE CE2 C 131.319 0.300 1 58 13 13 PHE HE2 H 7.358 0.030 1 59 13 13 PHE CZ C 130.102 0.300 1 60 13 13 PHE HZ H 7.314 0.030 1 61 13 13 PHE C C 174.436 0.300 1 62 13 13 PHE HB2 H 2.603 0.030 2 63 14 14 LYS N N 123.175 0.300 1 64 14 14 LYS H H 8.664 0.030 1 65 14 14 LYS CA C 54.292 0.300 1 66 14 14 LYS HA H 5.102 0.030 1 67 14 14 LYS CB C 34.850 0.300 1 68 14 14 LYS HB3 H 1.445 0.030 2 69 14 14 LYS CG C 24.467 0.300 1 70 14 14 LYS HG3 H 1.158 0.030 1 71 14 14 LYS CD C 28.969 0.300 1 72 14 14 LYS HD3 H 1.473 0.030 1 73 14 14 LYS CE C 42.142 0.300 1 74 14 14 LYS HE3 H 2.853 0.030 1 75 14 14 LYS C C 176.027 0.300 1 76 14 14 LYS HB2 H 1.567 0.030 2 77 14 14 LYS HD2 H 1.473 0.030 1 78 14 14 LYS HE2 H 2.853 0.030 1 79 14 14 LYS HG2 H 1.158 0.030 1 80 15 15 CYS N N 126.518 0.300 1 81 15 15 CYS H H 9.121 0.030 1 82 15 15 CYS CA C 59.421 0.300 1 83 15 15 CYS HA H 4.379 0.030 1 84 15 15 CYS CB C 30.467 0.300 1 85 15 15 CYS HB3 H 3.376 0.030 2 86 15 15 CYS C C 177.905 0.300 1 87 15 15 CYS HB2 H 3.065 0.030 2 88 16 16 GLU N N 131.837 0.300 1 89 16 16 GLU H H 9.146 0.030 1 90 16 16 GLU CA C 58.767 0.300 1 91 16 16 GLU HA H 4.015 0.030 1 92 16 16 GLU CB C 30.034 0.300 1 93 16 16 GLU HB3 H 1.987 0.030 2 94 16 16 GLU CG C 36.399 0.300 1 95 16 16 GLU HG3 H 2.414 0.030 2 96 16 16 GLU C C 176.586 0.300 1 97 16 16 GLU HB2 H 2.071 0.030 2 98 16 16 GLU HG2 H 2.298 0.030 2 99 17 17 GLU N N 120.271 0.300 1 100 17 17 GLU H H 8.759 0.030 1 101 17 17 GLU CA C 58.156 0.300 1 102 17 17 GLU HA H 4.187 0.030 1 103 17 17 GLU CB C 29.903 0.300 1 104 17 17 GLU HB3 H 1.375 0.030 2 105 17 17 GLU CG C 35.180 0.300 1 106 17 17 GLU HG3 H 1.678 0.030 2 107 17 17 GLU C C 177.311 0.300 1 108 17 17 GLU HB2 H 1.470 0.030 2 109 17 17 GLU HG2 H 1.827 0.030 2 110 18 18 CYS N N 115.586 0.300 1 111 18 18 CYS H H 8.194 0.030 1 112 18 18 CYS CA C 58.370 0.300 1 113 18 18 CYS HA H 5.102 0.030 1 114 18 18 CYS CB C 32.475 0.300 1 115 18 18 CYS HB3 H 3.377 0.030 2 116 18 18 CYS C C 176.599 0.300 1 117 18 18 CYS HB2 H 2.731 0.030 2 118 19 19 GLY N N 113.385 0.300 1 119 19 19 GLY H H 8.078 0.030 1 120 19 19 GLY CA C 46.212 0.300 1 121 19 19 GLY HA3 H 4.170 0.030 2 122 19 19 GLY C C 173.387 0.300 1 123 19 19 GLY HA2 H 3.725 0.030 2 124 20 20 LYS N N 123.491 0.300 1 125 20 20 LYS H H 8.031 0.030 1 126 20 20 LYS CA C 58.327 0.300 1 127 20 20 LYS HA H 3.865 0.030 1 128 20 20 LYS CB C 33.833 0.300 1 129 20 20 LYS HB3 H 1.521 0.030 2 130 20 20 LYS CG C 25.849 0.300 1 131 20 20 LYS HG3 H 1.316 0.030 2 132 20 20 LYS CD C 29.321 0.300 1 133 20 20 LYS HD3 H 1.401 0.030 2 134 20 20 LYS CE C 42.037 0.300 1 135 20 20 LYS HE3 H 2.851 0.030 2 136 20 20 LYS C C 174.752 0.300 1 137 20 20 LYS HB2 H 1.196 0.030 2 138 20 20 LYS HD2 H 1.265 0.030 2 139 20 20 LYS HE2 H 2.790 0.030 2 140 20 20 LYS HG2 H 0.909 0.030 2 141 21 21 GLY N N 108.772 0.300 1 142 21 21 GLY H H 7.874 0.030 1 143 21 21 GLY CA C 44.209 0.300 1 144 21 21 GLY HA3 H 4.844 0.030 2 145 21 21 GLY C C 172.496 0.300 1 146 21 21 GLY HA2 H 3.160 0.030 2 147 22 22 PHE N N 117.732 0.300 1 148 22 22 PHE H H 8.744 0.030 1 149 22 22 PHE CA C 57.105 0.300 1 150 22 22 PHE HA H 4.459 0.030 1 151 22 22 PHE CB C 44.303 0.300 1 152 22 22 PHE HB3 H 3.437 0.030 2 153 22 22 PHE CD1 C 132.262 0.300 1 154 22 22 PHE HD1 H 7.165 0.030 1 155 22 22 PHE CD2 C 132.262 0.300 1 156 22 22 PHE HD2 H 7.165 0.030 1 157 22 22 PHE CE1 C 130.969 0.300 1 158 22 22 PHE HE1 H 6.829 0.030 1 159 22 22 PHE CE2 C 130.969 0.300 1 160 22 22 PHE HE2 H 6.829 0.030 1 161 22 22 PHE CZ C 128.622 0.300 1 162 22 22 PHE HZ H 6.049 0.030 1 163 22 22 PHE C C 175.019 0.300 1 164 22 22 PHE HB2 H 2.599 0.030 2 165 23 23 TYR N N 117.772 0.300 1 166 23 23 TYR H H 8.874 0.030 1 167 23 23 TYR CA C 61.344 0.300 1 168 23 23 TYR HA H 4.596 0.030 1 169 23 23 TYR CB C 39.493 0.300 1 170 23 23 TYR HB3 H 3.338 0.030 2 171 23 23 TYR CD1 C 133.264 0.300 1 172 23 23 TYR HD1 H 7.368 0.030 1 173 23 23 TYR CD2 C 133.264 0.300 1 174 23 23 TYR HD2 H 7.368 0.030 1 175 23 23 TYR CE1 C 118.488 0.300 1 176 23 23 TYR HE1 H 6.783 0.030 1 177 23 23 TYR CE2 C 118.488 0.300 1 178 23 23 TYR HE2 H 6.783 0.030 1 179 23 23 TYR C C 176.259 0.300 1 180 23 23 TYR HB2 H 3.112 0.030 2 181 24 24 THR N N 104.091 0.300 1 182 24 24 THR H H 7.364 0.030 1 183 24 24 THR CA C 58.807 0.300 1 184 24 24 THR HA H 4.697 0.030 1 185 24 24 THR CB C 72.491 0.300 1 186 24 24 THR HB H 4.339 0.030 1 187 24 24 THR CG2 C 21.543 0.300 1 188 24 24 THR HG2 H 1.178 0.030 1 189 24 24 THR C C 173.941 0.300 1 190 25 25 ASN N N 121.743 0.300 1 191 25 25 ASN H H 8.167 0.030 1 192 25 25 ASN CA C 55.394 0.300 1 193 25 25 ASN HA H 3.488 0.030 1 194 25 25 ASN CB C 37.914 0.300 1 195 25 25 ASN HB3 H 1.965 0.030 2 196 25 25 ASN ND2 N 112.509 0.300 1 197 25 25 ASN HD21 H 7.297 0.030 2 198 25 25 ASN HD22 H 6.687 0.030 2 199 25 25 ASN C C 177.445 0.300 1 200 25 25 ASN HB2 H 2.188 0.030 2 201 26 26 SER CA C 61.273 0.300 1 202 26 26 SER HA H 4.001 0.030 1 203 26 26 SER CB C 62.053 0.300 1 204 26 26 SER HB3 H 3.765 0.030 1 205 26 26 SER C C 177.544 0.300 1 206 26 26 SER HB2 H 3.765 0.030 1 207 27 27 GLN N N 121.070 0.300 1 208 27 27 GLN H H 7.488 0.030 1 209 27 27 GLN CA C 58.360 0.300 1 210 27 27 GLN HA H 3.904 0.030 1 211 27 27 GLN CB C 28.821 0.300 1 212 27 27 GLN HB3 H 2.167 0.030 2 213 27 27 GLN CG C 34.439 0.300 1 214 27 27 GLN HG3 H 2.421 0.030 1 215 27 27 GLN NE2 N 111.962 0.300 1 216 27 27 GLN HE21 H 7.567 0.030 2 217 27 27 GLN HE22 H 7.096 0.030 2 218 27 27 GLN C C 178.094 0.300 1 219 27 27 GLN HB2 H 2.032 0.030 2 220 27 27 GLN HG2 H 2.421 0.030 1 221 28 28 CYS N N 120.697 0.300 1 222 28 28 CYS H H 7.220 0.030 1 223 28 28 CYS CA C 61.758 0.300 1 224 28 28 CYS HA H 2.831 0.030 1 225 28 28 CYS CB C 26.350 0.300 1 226 28 28 CYS HB3 H 2.439 0.030 2 227 28 28 CYS C C 175.755 0.300 1 228 28 28 CYS HB2 H 3.118 0.030 2 229 29 29 TYR N N 119.853 0.300 1 230 29 29 TYR H H 8.676 0.030 1 231 29 29 TYR CA C 61.209 0.300 1 232 29 29 TYR HA H 4.190 0.030 1 233 29 29 TYR CB C 37.680 0.300 1 234 29 29 TYR HB3 H 2.902 0.030 2 235 29 29 TYR CD1 C 132.887 0.300 1 236 29 29 TYR HD1 H 7.031 0.030 1 237 29 29 TYR CD2 C 132.887 0.300 1 238 29 29 TYR HD2 H 7.031 0.030 1 239 29 29 TYR CE1 C 118.024 0.300 1 240 29 29 TYR HE1 H 6.735 0.030 1 241 29 29 TYR CE2 C 118.024 0.300 1 242 29 29 TYR HE2 H 6.735 0.030 1 243 29 29 TYR C C 178.450 0.300 1 244 29 29 TYR HB2 H 3.027 0.030 2 245 30 30 SER N N 113.870 0.300 1 246 30 30 SER H H 7.941 0.030 1 247 30 30 SER CA C 61.619 0.300 1 248 30 30 SER HA H 3.929 0.030 1 249 30 30 SER CB C 62.511 0.300 1 250 30 30 SER HB3 H 3.813 0.030 1 251 30 30 SER C C 177.338 0.300 1 252 30 30 SER HB2 H 3.813 0.030 1 253 31 31 HIS N N 120.082 0.300 1 254 31 31 HIS H H 7.472 0.030 1 255 31 31 HIS CA C 59.031 0.300 1 256 31 31 HIS HA H 4.166 0.030 1 257 31 31 HIS CB C 27.883 0.300 1 258 31 31 HIS HB3 H 2.829 0.030 2 259 31 31 HIS CD2 C 128.547 0.300 1 260 31 31 HIS HD2 H 7.020 0.030 1 261 31 31 HIS CE1 C 139.118 0.300 1 262 31 31 HIS HE1 H 7.890 0.030 1 263 31 31 HIS C C 177.933 0.300 1 264 31 31 HIS HB2 H 2.889 0.030 2 265 32 32 GLN N N 122.469 0.300 1 266 32 32 GLN H H 8.922 0.030 1 267 32 32 GLN CA C 59.712 0.300 1 268 32 32 GLN HA H 3.803 0.030 1 269 32 32 GLN CB C 28.541 0.300 1 270 32 32 GLN HB3 H 2.367 0.030 2 271 32 32 GLN CG C 35.089 0.300 1 272 32 32 GLN HG3 H 2.825 0.030 1 273 32 32 GLN NE2 N 113.281 0.300 1 274 32 32 GLN HE21 H 7.593 0.030 2 275 32 32 GLN HE22 H 7.174 0.030 2 276 32 32 GLN C C 178.714 0.300 1 277 32 32 GLN HB2 H 2.157 0.030 2 278 32 32 GLN HG2 H 2.825 0.030 1 279 33 33 ARG N N 117.875 0.300 1 280 33 33 ARG H H 7.460 0.030 1 281 33 33 ARG CA C 58.084 0.300 1 282 33 33 ARG HA H 3.987 0.030 1 283 33 33 ARG CB C 29.643 0.300 1 284 33 33 ARG HB3 H 1.703 0.030 2 285 33 33 ARG CG C 26.900 0.300 1 286 33 33 ARG HG3 H 1.478 0.030 2 287 33 33 ARG CD C 43.043 0.300 1 288 33 33 ARG HD3 H 3.012 0.030 1 289 33 33 ARG C C 177.881 0.300 1 290 33 33 ARG HB2 H 1.767 0.030 2 291 33 33 ARG HD2 H 3.012 0.030 1 292 33 33 ARG HG2 H 1.545 0.030 2 293 34 34 SER N N 114.760 0.300 1 294 34 34 SER H H 7.661 0.030 1 295 34 34 SER CA C 60.528 0.300 1 296 34 34 SER HA H 4.157 0.030 1 297 34 34 SER CB C 63.155 0.300 1 298 34 34 SER HB3 H 3.717 0.030 1 299 34 34 SER C C 175.370 0.300 1 300 34 34 SER HB2 H 3.717 0.030 1 301 35 35 HIS N N 119.408 0.300 1 302 35 35 HIS H H 7.149 0.030 1 303 35 35 HIS CA C 56.612 0.300 1 304 35 35 HIS HA H 4.591 0.030 1 305 35 35 HIS CB C 28.543 0.300 1 306 35 35 HIS HB3 H 3.075 0.030 2 307 35 35 HIS CD2 C 127.422 0.300 1 308 35 35 HIS HD2 H 6.722 0.030 1 309 35 35 HIS CE1 C 139.946 0.300 1 310 35 35 HIS HE1 H 7.987 0.030 1 311 35 35 HIS C C 175.587 0.300 1 312 35 35 HIS HB2 H 3.238 0.030 2 313 36 36 SER N N 114.717 0.300 1 314 36 36 SER H H 7.831 0.030 1 315 36 36 SER CA C 58.643 0.300 1 316 36 36 SER HA H 4.412 0.030 1 317 36 36 SER CB C 63.865 0.300 1 318 36 36 SER C C 175.009 0.300 1 319 36 36 SER HB2 H 3.894 0.030 2 320 37 37 GLY N N 110.718 0.300 1 321 37 37 GLY H H 8.233 0.030 1 322 37 37 GLY CA C 45.254 0.300 1 323 37 37 GLY HA3 H 3.930 0.030 1 324 37 37 GLY C C 174.063 0.300 1 325 37 37 GLY HA2 H 3.930 0.030 1 326 38 38 GLU N N 120.467 0.300 1 327 38 38 GLU H H 8.063 0.030 1 328 38 38 GLU CA C 56.324 0.300 1 329 38 38 GLU HA H 4.202 0.030 1 330 38 38 GLU CB C 30.407 0.300 1 331 38 38 GLU HB3 H 1.854 0.030 2 332 38 38 GLU CG C 36.146 0.300 1 333 38 38 GLU HG3 H 2.204 0.030 1 334 38 38 GLU C C 176.234 0.300 1 335 38 38 GLU HB2 H 1.943 0.030 2 336 38 38 GLU HG2 H 2.204 0.030 1 337 39 39 LYS N N 123.848 0.300 1 338 39 39 LYS H H 8.379 0.030 1 339 39 39 LYS CA C 54.044 0.300 1 340 39 39 LYS HA H 4.553 0.030 1 341 39 39 LYS CB C 32.409 0.300 1 342 39 39 LYS HB3 H 1.760 0.030 2 343 39 39 LYS CG C 24.440 0.300 1 344 39 39 LYS HG3 H 1.409 0.030 1 345 39 39 LYS CD C 29.096 0.300 1 346 39 39 LYS HD3 H 1.623 0.030 1 347 39 39 LYS CE C 42.125 0.300 1 348 39 39 LYS HE3 H 2.939 0.030 1 349 39 39 LYS C C 174.964 0.300 1 350 39 39 LYS HB2 H 1.670 0.030 2 351 39 39 LYS HD2 H 1.623 0.030 1 352 39 39 LYS HE2 H 2.939 0.030 1 353 39 39 LYS HG2 H 1.409 0.030 1 354 40 40 PRO CA C 63.191 0.300 1 355 40 40 PRO HA H 4.410 0.030 1 356 40 40 PRO CB C 32.091 0.300 1 357 40 40 PRO HB3 H 1.884 0.030 2 358 40 40 PRO CG C 27.106 0.300 1 359 40 40 PRO HG3 H 1.954 0.030 1 360 40 40 PRO CD C 50.649 0.300 1 361 40 40 PRO HD3 H 3.582 0.030 2 362 40 40 PRO HB2 H 2.251 0.030 2 363 40 40 PRO HD2 H 3.766 0.030 2 364 40 40 PRO HG2 H 1.954 0.030 1 stop_ save_