data_10221 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 255-287) of human Zinc finger protein 224 ; _BMRB_accession_number 10221 _BMRB_flat_file_name bmr10221.str _Entry_type original _Submission_date 2008-05-22 _Accession_date 2008-05-22 _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" 218 "13C chemical shifts" 153 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-28 original author . stop_ _Original_release_date 2009-05-28 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 255-287) 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 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYNCEECGK AFIHDSQLQEHQRIHTGEKP 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 GLU 11 LYS 12 PRO 13 TYR 14 ASN 15 CYS 16 GLU 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ILE 24 HIS 25 ASP 26 SER 27 GLN 28 LEU 29 GLN 30 GLU 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 2EOR "Solution Structure Of The C2h2 Type Zinc Finger (Region 255- 287) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 1.89e-23 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P061225-20 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 'Guentert, 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 7 7 GLY HA2 H 3.966 0.030 2 2 7 7 GLY HA3 H 3.966 0.030 2 3 7 7 GLY C C 174.489 0.300 1 4 7 7 GLY CA C 45.460 0.300 1 5 8 8 THR H H 8.117 0.030 1 6 8 8 THR HA H 4.307 0.030 1 7 8 8 THR HB H 4.231 0.030 1 8 8 8 THR HG2 H 1.123 0.030 1 9 8 8 THR C C 175.219 0.300 1 10 8 8 THR CA C 61.781 0.300 1 11 8 8 THR CB C 69.794 0.300 1 12 8 8 THR CG2 C 21.433 0.300 1 13 8 8 THR N N 112.800 0.300 1 14 9 9 GLY H H 8.403 0.030 1 15 9 9 GLY HA2 H 3.961 0.030 2 16 9 9 GLY HA3 H 3.906 0.030 2 17 9 9 GLY C C 173.986 0.300 1 18 9 9 GLY CA C 45.291 0.300 1 19 9 9 GLY N N 110.970 0.300 1 20 10 10 GLU H H 8.167 0.030 1 21 10 10 GLU HA H 4.119 0.030 1 22 10 10 GLU HB2 H 1.918 0.030 2 23 10 10 GLU HB3 H 1.821 0.030 2 24 10 10 GLU HG2 H 2.180 0.030 2 25 10 10 GLU HG3 H 2.131 0.030 2 26 10 10 GLU C C 176.245 0.300 1 27 10 10 GLU CA C 56.761 0.300 1 28 10 10 GLU CB C 30.315 0.300 1 29 10 10 GLU CG C 36.177 0.300 1 30 10 10 GLU N N 120.318 0.300 1 31 11 11 LYS H H 8.212 0.030 1 32 11 11 LYS HA H 4.481 0.030 1 33 11 11 LYS HB2 H 1.526 0.030 2 34 11 11 LYS HB3 H 1.445 0.030 2 35 11 11 LYS HD2 H 1.437 0.030 1 36 11 11 LYS HD3 H 1.437 0.030 1 37 11 11 LYS HE2 H 2.829 0.030 1 38 11 11 LYS HE3 H 2.829 0.030 1 39 11 11 LYS HG2 H 1.249 0.030 2 40 11 11 LYS HG3 H 1.125 0.030 2 41 11 11 LYS C C 174.425 0.300 1 42 11 11 LYS CA C 53.842 0.300 1 43 11 11 LYS CB C 33.027 0.300 1 44 11 11 LYS CD C 29.402 0.300 1 45 11 11 LYS CE C 42.239 0.300 1 46 11 11 LYS CG C 24.752 0.300 1 47 11 11 LYS N N 121.767 0.300 1 48 12 12 PRO HA H 4.244 0.030 1 49 12 12 PRO HB2 H 1.337 0.030 2 50 12 12 PRO HB3 H 1.959 0.030 2 51 12 12 PRO HD2 H 3.624 0.030 1 52 12 12 PRO HD3 H 3.624 0.030 1 53 12 12 PRO HG2 H 1.779 0.030 2 54 12 12 PRO HG3 H 1.720 0.030 2 55 12 12 PRO C C 176.079 0.300 1 56 12 12 PRO CA C 63.283 0.300 1 57 12 12 PRO CB C 32.187 0.300 1 58 12 12 PRO CD C 50.349 0.300 1 59 12 12 PRO CG C 26.809 0.300 1 60 13 13 TYR H H 7.905 0.030 1 61 13 13 TYR HA H 4.586 0.030 1 62 13 13 TYR HB2 H 2.760 0.030 2 63 13 13 TYR HB3 H 2.931 0.030 2 64 13 13 TYR HD1 H 6.970 0.030 1 65 13 13 TYR HD2 H 6.970 0.030 1 66 13 13 TYR HE1 H 6.843 0.030 1 67 13 13 TYR HE2 H 6.843 0.030 1 68 13 13 TYR C C 174.631 0.300 1 69 13 13 TYR CA C 57.403 0.300 1 70 13 13 TYR CB C 38.592 0.300 1 71 13 13 TYR CD1 C 133.424 0.300 1 72 13 13 TYR CD2 C 133.424 0.300 1 73 13 13 TYR CE1 C 118.300 0.300 1 74 13 13 TYR CE2 C 118.300 0.300 1 75 13 13 TYR N N 118.258 0.300 1 76 14 14 ASN H H 8.597 0.030 1 77 14 14 ASN HA H 5.267 0.030 1 78 14 14 ASN HB2 H 2.442 0.030 2 79 14 14 ASN HB3 H 2.352 0.030 2 80 14 14 ASN HD21 H 6.630 0.030 2 81 14 14 ASN HD22 H 7.172 0.030 2 82 14 14 ASN C C 173.616 0.300 1 83 14 14 ASN CA C 52.533 0.300 1 84 14 14 ASN CB C 41.443 0.300 1 85 14 14 ASN N N 120.998 0.300 1 86 14 14 ASN ND2 N 112.336 0.300 1 87 15 15 CYS H H 9.170 0.030 1 88 15 15 CYS HA H 4.549 0.030 1 89 15 15 CYS HB2 H 2.778 0.030 2 90 15 15 CYS HB3 H 3.322 0.030 2 91 15 15 CYS C C 177.267 0.300 1 92 15 15 CYS CA C 59.191 0.300 1 93 15 15 CYS CB C 29.553 0.300 1 94 15 15 CYS N N 124.399 0.300 1 95 16 16 GLU H H 9.526 0.030 1 96 16 16 GLU HA H 4.060 0.030 1 97 16 16 GLU HB2 H 2.088 0.030 2 98 16 16 GLU HB3 H 2.014 0.030 2 99 16 16 GLU HG2 H 2.363 0.030 2 100 16 16 GLU HG3 H 2.275 0.030 2 101 16 16 GLU C C 176.879 0.300 1 102 16 16 GLU CA C 58.728 0.300 1 103 16 16 GLU CB C 29.577 0.300 1 104 16 16 GLU CG C 36.420 0.300 1 105 16 16 GLU N N 132.063 0.300 1 106 17 17 GLU H H 8.498 0.030 1 107 17 17 GLU HA H 4.116 0.030 1 108 17 17 GLU HB2 H 1.426 0.030 2 109 17 17 GLU HB3 H 1.279 0.030 2 110 17 17 GLU HG2 H 1.818 0.030 2 111 17 17 GLU HG3 H 1.655 0.030 2 112 17 17 GLU C C 177.307 0.300 1 113 17 17 GLU CA C 58.495 0.300 1 114 17 17 GLU CB C 29.466 0.300 1 115 17 17 GLU CG C 35.403 0.300 1 116 17 17 GLU N N 120.260 0.300 1 117 18 18 CYS H H 7.936 0.030 1 118 18 18 CYS HA H 5.107 0.030 1 119 18 18 CYS HB2 H 2.796 0.030 2 120 18 18 CYS HB3 H 3.357 0.030 2 121 18 18 CYS C C 176.297 0.300 1 122 18 18 CYS CA C 58.394 0.300 1 123 18 18 CYS CB C 32.435 0.300 1 124 18 18 CYS N N 114.580 0.300 1 125 19 19 GLY H H 8.233 0.030 1 126 19 19 GLY HA2 H 3.818 0.030 2 127 19 19 GLY HA3 H 4.158 0.030 2 128 19 19 GLY C C 174.201 0.300 1 129 19 19 GLY CA C 46.129 0.300 1 130 19 19 GLY N N 113.640 0.300 1 131 20 20 LYS H H 7.816 0.030 1 132 20 20 LYS HA H 3.889 0.030 1 133 20 20 LYS HB2 H 1.130 0.030 2 134 20 20 LYS HB3 H 1.313 0.030 2 135 20 20 LYS HD2 H 1.443 0.030 2 136 20 20 LYS HD3 H 1.388 0.030 2 137 20 20 LYS HE2 H 2.920 0.030 2 138 20 20 LYS HE3 H 2.861 0.030 2 139 20 20 LYS HG2 H 1.333 0.030 2 140 20 20 LYS HG3 H 1.021 0.030 2 141 20 20 LYS C C 173.338 0.300 1 142 20 20 LYS CA C 58.071 0.300 1 143 20 20 LYS CB C 33.760 0.300 1 144 20 20 LYS CD C 29.175 0.300 1 145 20 20 LYS CE C 42.143 0.300 1 146 20 20 LYS CG C 26.217 0.300 1 147 20 20 LYS N N 123.055 0.300 1 148 21 21 ALA H H 7.624 0.030 1 149 21 21 ALA HA H 5.029 0.030 1 150 21 21 ALA HB H 1.133 0.030 1 151 21 21 ALA C C 176.478 0.300 1 152 21 21 ALA CA C 50.590 0.300 1 153 21 21 ALA CB C 22.409 0.300 1 154 21 21 ALA N N 123.757 0.300 1 155 22 22 PHE H H 8.570 0.030 1 156 22 22 PHE HA H 4.696 0.030 1 157 22 22 PHE HB2 H 2.571 0.030 2 158 22 22 PHE HB3 H 3.458 0.030 2 159 22 22 PHE HD1 H 7.108 0.030 1 160 22 22 PHE HD2 H 7.108 0.030 1 161 22 22 PHE HE1 H 6.772 0.030 1 162 22 22 PHE HE2 H 6.772 0.030 1 163 22 22 PHE HZ H 6.163 0.030 1 164 22 22 PHE C C 175.081 0.300 1 165 22 22 PHE CA C 57.093 0.300 1 166 22 22 PHE CB C 43.428 0.300 1 167 22 22 PHE CD1 C 132.400 0.300 1 168 22 22 PHE CD2 C 132.400 0.300 1 169 22 22 PHE CE1 C 130.514 0.300 1 170 22 22 PHE CE2 C 130.514 0.300 1 171 22 22 PHE CZ C 128.526 0.300 1 172 22 22 PHE N N 116.997 0.300 1 173 23 23 ILE H H 8.544 0.030 1 174 23 23 ILE HA H 4.150 0.030 1 175 23 23 ILE HB H 1.744 0.030 1 176 23 23 ILE HD1 H 0.817 0.030 1 177 23 23 ILE HG12 H 1.378 0.030 2 178 23 23 ILE HG13 H 1.176 0.030 2 179 23 23 ILE HG2 H 0.569 0.030 1 180 23 23 ILE C C 175.250 0.300 1 181 23 23 ILE CA C 63.146 0.300 1 182 23 23 ILE CB C 38.976 0.300 1 183 23 23 ILE CD1 C 13.311 0.300 1 184 23 23 ILE CG1 C 27.994 0.300 1 185 23 23 ILE CG2 C 17.174 0.300 1 186 23 23 ILE N N 118.524 0.300 1 187 24 24 HIS H H 7.481 0.030 1 188 24 24 HIS HA H 4.930 0.030 1 189 24 24 HIS HB2 H 3.109 0.030 2 190 24 24 HIS HB3 H 2.705 0.030 2 191 24 24 HIS HD2 H 6.999 0.030 1 192 24 24 HIS HE1 H 7.819 0.030 1 193 24 24 HIS C C 175.914 0.300 1 194 24 24 HIS CA C 54.508 0.300 1 195 24 24 HIS CB C 34.064 0.300 1 196 24 24 HIS CD2 C 120.131 0.300 1 197 24 24 HIS CE1 C 138.769 0.300 1 198 24 24 HIS N N 115.184 0.300 1 199 25 25 ASP H H 8.313 0.030 1 200 25 25 ASP HA H 3.499 0.030 1 201 25 25 ASP HB2 H 2.093 0.030 2 202 25 25 ASP C C 178.409 0.300 1 203 25 25 ASP CA C 56.851 0.300 1 204 25 25 ASP CB C 40.476 0.300 1 205 25 25 ASP N N 126.437 0.300 1 206 26 26 SER H H 8.942 0.030 1 207 26 26 SER HA H 3.891 0.030 1 208 26 26 SER HB2 H 3.822 0.030 2 209 26 26 SER HB3 H 3.760 0.030 2 210 26 26 SER C C 177.293 0.300 1 211 26 26 SER CA C 61.240 0.300 1 212 26 26 SER CB C 61.426 0.300 1 213 26 26 SER N N 114.987 0.300 1 214 27 27 GLN H H 6.908 0.030 1 215 27 27 GLN HA H 3.996 0.030 1 216 27 27 GLN HB2 H 2.002 0.030 2 217 27 27 GLN HB3 H 2.468 0.030 2 218 27 27 GLN HE21 H 7.685 0.030 2 219 27 27 GLN HE22 H 6.954 0.030 2 220 27 27 GLN HG2 H 2.484 0.030 2 221 27 27 GLN HG3 H 2.361 0.030 2 222 27 27 GLN C C 178.844 0.300 1 223 27 27 GLN CA C 57.699 0.300 1 224 27 27 GLN CB C 28.809 0.300 1 225 27 27 GLN CG C 34.560 0.300 1 226 27 27 GLN N N 120.797 0.300 1 227 27 27 GLN NE2 N 111.805 0.300 1 228 28 28 LEU H H 6.989 0.030 1 229 28 28 LEU HA H 3.192 0.030 1 230 28 28 LEU HB2 H 1.185 0.030 2 231 28 28 LEU HB3 H 2.060 0.030 2 232 28 28 LEU HD1 H 1.013 0.030 1 233 28 28 LEU HD2 H 0.961 0.030 1 234 28 28 LEU HG H 1.437 0.030 1 235 28 28 LEU C C 177.795 0.300 1 236 28 28 LEU CA C 57.807 0.300 1 237 28 28 LEU CB C 40.185 0.300 1 238 28 28 LEU CD1 C 26.287 0.300 2 239 28 28 LEU CD2 C 22.903 0.300 2 240 28 28 LEU CG C 27.483 0.300 1 241 28 28 LEU N N 122.387 0.300 1 242 29 29 GLN H H 8.345 0.030 1 243 29 29 GLN HA H 3.923 0.030 1 244 29 29 GLN HB2 H 1.997 0.030 2 245 29 29 GLN HB3 H 1.874 0.030 2 246 29 29 GLN HE21 H 7.667 0.030 2 247 29 29 GLN HE22 H 6.708 0.030 2 248 29 29 GLN HG2 H 2.317 0.030 1 249 29 29 GLN HG3 H 2.317 0.030 1 250 29 29 GLN C C 179.092 0.300 1 251 29 29 GLN CA C 58.757 0.300 1 252 29 29 GLN CB C 27.751 0.300 1 253 29 29 GLN CG C 33.443 0.300 1 254 29 29 GLN N N 117.492 0.300 1 255 29 29 GLN NE2 N 113.523 0.300 1 256 30 30 GLU H H 7.420 0.030 1 257 30 30 GLU HA H 3.885 0.030 1 258 30 30 GLU HB2 H 1.963 0.030 2 259 30 30 GLU HB3 H 1.884 0.030 2 260 30 30 GLU HG2 H 2.239 0.030 2 261 30 30 GLU HG3 H 2.167 0.030 2 262 30 30 GLU C C 178.747 0.300 1 263 30 30 GLU CA C 58.958 0.300 1 264 30 30 GLU CB C 29.563 0.300 1 265 30 30 GLU CG C 35.927 0.300 1 266 30 30 GLU N N 118.075 0.300 1 267 31 31 HIS H H 7.602 0.030 1 268 31 31 HIS HA H 4.116 0.030 1 269 31 31 HIS HB2 H 3.065 0.030 2 270 31 31 HIS HB3 H 2.808 0.030 2 271 31 31 HIS HD2 H 6.907 0.030 1 272 31 31 HIS HE1 H 7.964 0.030 1 273 31 31 HIS C C 176.263 0.300 1 274 31 31 HIS CA C 59.038 0.300 1 275 31 31 HIS CB C 28.559 0.300 1 276 31 31 HIS CD2 C 127.151 0.300 1 277 31 31 HIS CE1 C 139.564 0.300 1 278 31 31 HIS N N 119.104 0.300 1 279 32 32 GLN H H 8.297 0.030 1 280 32 32 GLN HA H 3.646 0.030 1 281 32 32 GLN HB2 H 2.207 0.030 2 282 32 32 GLN HB3 H 2.158 0.030 2 283 32 32 GLN HE21 H 7.468 0.030 2 284 32 32 GLN HE22 H 7.043 0.030 2 285 32 32 GLN HG2 H 2.735 0.030 1 286 32 32 GLN HG3 H 2.735 0.030 1 287 32 32 GLN C C 177.393 0.300 1 288 32 32 GLN CA C 59.179 0.300 1 289 32 32 GLN CB C 28.076 0.300 1 290 32 32 GLN CG C 35.200 0.300 1 291 32 32 GLN N N 115.048 0.300 1 292 32 32 GLN NE2 N 112.336 0.300 1 293 33 33 ARG H H 7.093 0.030 1 294 33 33 ARG HA H 4.062 0.030 1 295 33 33 ARG HB2 H 1.808 0.030 2 296 33 33 ARG HB3 H 1.719 0.030 2 297 33 33 ARG HD2 H 3.136 0.030 1 298 33 33 ARG HD3 H 3.136 0.030 1 299 33 33 ARG HG2 H 1.792 0.030 2 300 33 33 ARG HG3 H 1.577 0.030 2 301 33 33 ARG C C 178.632 0.300 1 302 33 33 ARG CA C 58.740 0.300 1 303 33 33 ARG CB C 30.018 0.300 1 304 33 33 ARG CD C 43.546 0.300 1 305 33 33 ARG CG C 27.687 0.300 1 306 33 33 ARG N N 117.429 0.300 1 307 34 34 ILE H H 7.742 0.030 1 308 34 34 ILE HA H 3.907 0.030 1 309 34 34 ILE HB H 1.603 0.030 1 310 34 34 ILE HD1 H 0.647 0.030 1 311 34 34 ILE HG12 H 0.879 0.030 2 312 34 34 ILE HG13 H 0.744 0.030 2 313 34 34 ILE HG2 H 0.517 0.030 1 314 34 34 ILE C C 177.477 0.300 1 315 34 34 ILE CA C 62.981 0.300 1 316 34 34 ILE CB C 37.561 0.300 1 317 34 34 ILE CD1 C 14.201 0.300 1 318 34 34 ILE CG1 C 26.769 0.300 1 319 34 34 ILE CG2 C 16.511 0.300 1 320 34 34 ILE N N 116.287 0.300 1 321 35 35 HIS H H 7.154 0.030 1 322 35 35 HIS HA H 4.820 0.030 1 323 35 35 HIS HB2 H 3.288 0.030 2 324 35 35 HIS HB3 H 3.181 0.030 2 325 35 35 HIS HD2 H 6.710 0.030 1 326 35 35 HIS HE1 H 7.984 0.030 1 327 35 35 HIS C C 175.945 0.300 1 328 35 35 HIS CA C 55.340 0.300 1 329 35 35 HIS CB C 28.562 0.300 1 330 35 35 HIS CD2 C 127.588 0.300 1 331 35 35 HIS CE1 C 139.819 0.300 1 332 35 35 HIS N N 117.832 0.300 1 333 36 36 THR H H 7.768 0.030 1 334 36 36 THR HA H 4.280 0.030 1 335 36 36 THR HB H 4.268 0.030 1 336 36 36 THR HG2 H 1.187 0.030 1 337 36 36 THR C C 175.527 0.300 1 338 36 36 THR CA C 62.599 0.300 1 339 36 36 THR CB C 69.779 0.300 1 340 36 36 THR CG2 C 21.570 0.300 1 341 36 36 THR N N 111.677 0.300 1 342 37 37 GLY H H 8.154 0.030 1 343 37 37 GLY HA2 H 3.961 0.030 2 344 37 37 GLY HA3 H 3.903 0.030 2 345 37 37 GLY C C 174.033 0.300 1 346 37 37 GLY CA C 45.278 0.300 1 347 37 37 GLY N N 110.498 0.300 1 348 38 38 GLU H H 8.043 0.030 1 349 38 38 GLU HA H 4.178 0.030 1 350 38 38 GLU HB2 H 1.932 0.030 2 351 38 38 GLU HB3 H 1.849 0.030 2 352 38 38 GLU HG2 H 2.152 0.030 2 353 38 38 GLU HG3 H 2.218 0.030 2 354 38 38 GLU C C 176.163 0.300 1 355 38 38 GLU CA C 56.461 0.300 1 356 38 38 GLU CB C 30.437 0.300 1 357 38 38 GLU CG C 36.195 0.300 1 358 38 38 GLU N N 120.528 0.300 1 359 39 39 LYS H H 8.342 0.030 1 360 39 39 LYS HA H 4.549 0.030 1 361 39 39 LYS HB2 H 1.752 0.030 2 362 39 39 LYS HB3 H 1.659 0.030 2 363 39 39 LYS HD2 H 1.438 0.030 1 364 39 39 LYS HD3 H 1.438 0.030 1 365 39 39 LYS HE2 H 2.924 0.030 1 366 39 39 LYS HE3 H 2.924 0.030 1 367 39 39 LYS HG2 H 1.406 0.030 1 368 39 39 LYS HG3 H 1.406 0.030 1 369 39 39 LYS C C 174.171 0.300 1 370 39 39 LYS CA C 54.043 0.300 1 371 39 39 LYS CB C 32.451 0.300 1 372 39 39 LYS CD C 29.114 0.300 1 373 39 39 LYS CE C 42.239 0.300 1 374 39 39 LYS CG C 24.467 0.300 1 375 39 39 LYS N N 123.761 0.300 1 376 40 40 PRO HA H 4.405 0.030 1 377 40 40 PRO HB2 H 1.878 0.030 2 378 40 40 PRO HB3 H 2.243 0.030 2 379 40 40 PRO HD2 H 3.758 0.030 2 380 40 40 PRO HD3 H 3.583 0.030 2 381 40 40 PRO HG2 H 4.418 0.030 1 382 40 40 PRO HG3 H 4.418 0.030 1 383 40 40 PRO CA C 63.060 0.300 1 384 40 40 PRO CB C 32.128 0.300 1 385 40 40 PRO CD C 50.623 0.300 1 386 40 40 PRO CG C 27.390 0.300 1 387 41 41 SER H H 8.479 0.030 1 388 41 41 SER HA H 4.398 0.030 1 389 41 41 SER HB2 H 3.815 0.030 2 390 41 41 SER HB3 H 3.846 0.030 2 391 41 41 SER CA C 58.288 0.300 1 392 41 41 SER CB C 63.893 0.300 1 393 41 41 SER N N 116.629 0.300 1 394 42 42 GLY HA2 H 4.040 0.030 2 395 42 42 GLY HA3 H 4.105 0.030 2 396 42 42 GLY CA C 44.637 0.300 1 397 43 43 PRO HA H 4.407 0.030 1 398 43 43 PRO HB2 H 2.248 0.030 1 399 43 43 PRO HB3 H 2.248 0.030 1 400 43 43 PRO HD2 H 3.566 0.030 1 401 43 43 PRO HD3 H 3.566 0.030 1 402 43 43 PRO HG2 H 1.955 0.030 1 403 43 43 PRO HG3 H 1.955 0.030 1 404 43 43 PRO CA C 63.220 0.300 1 405 43 43 PRO CB C 32.207 0.300 1 406 43 43 PRO CD C 49.746 0.300 1 407 43 43 PRO CG C 27.185 0.300 1 stop_ save_