data_10166 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 637-667) of human Zinc finger protein 268 ; _BMRB_accession_number 10166 _BMRB_flat_file_name bmr10166.str _Entry_type original _Submission_date 2007-12-28 _Accession_date 2008-01-08 _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" 207 "13C chemical shifts" 154 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-23 original author . stop_ _Original_release_date 2009-02-23 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 637-667) of human Zinc finger protein 268 ; _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 268' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Zinc finger protein 268' $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 ; GSSGSSGEKPYSCNECGKAF TFKSQLIVHKGVHTGVKPSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 LYS 10 PRO 11 TYR 12 SER 13 CYS 14 ASN 15 GLU 16 CYS 17 GLY 18 LYS 19 ALA 20 PHE 21 THR 22 PHE 23 LYS 24 SER 25 GLN 26 LEU 27 ILE 28 VAL 29 HIS 30 LYS 31 GLY 32 VAL 33 HIS 34 THR 35 GLY 36 VAL 37 LYS 38 PRO 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 2EM1 "Solution Structure Of The C2h2 Type Zinc Finger (Region 637- 667) Of Human Zinc Finger Protein 268" 100.00 44 100.00 100.00 3.72e-21 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common ZN _Molecular_mass . _Details . _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 P061218-14 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 TOPSPIN _Version 1.3 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 II' _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 'Zinc finger protein 268' _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 N N 110.455 0.300 1 2 7 7 GLY H H 8.367 0.030 1 3 7 7 GLY CA C 45.260 0.300 1 4 7 7 GLY HA2 H 3.916 0.030 1 5 7 7 GLY HA3 H 3.916 0.030 1 6 7 7 GLY C C 174.007 0.300 1 7 8 8 GLU N N 120.208 0.300 1 8 8 8 GLU H H 8.176 0.030 1 9 8 8 GLU CA C 56.854 0.300 1 10 8 8 GLU HA H 4.160 0.030 1 11 8 8 GLU CB C 30.376 0.300 1 12 8 8 GLU HB2 H 1.875 0.030 2 13 8 8 GLU HB3 H 1.955 0.030 2 14 8 8 GLU CG C 36.259 0.300 1 15 8 8 GLU HG2 H 2.174 0.030 2 16 8 8 GLU HG3 H 2.230 0.030 2 17 8 8 GLU C C 176.369 0.300 1 18 9 9 LYS N N 121.925 0.300 1 19 9 9 LYS H H 8.248 0.030 1 20 9 9 LYS CA C 53.835 0.300 1 21 9 9 LYS HA H 4.472 0.030 1 22 9 9 LYS CB C 33.228 0.300 1 23 9 9 LYS HB2 H 1.540 0.030 2 24 9 9 LYS HB3 H 1.365 0.030 2 25 9 9 LYS CG C 24.697 0.300 1 26 9 9 LYS HG2 H 1.184 0.030 2 27 9 9 LYS HG3 H 1.251 0.030 2 28 9 9 LYS CD C 29.473 0.300 1 29 9 9 LYS HD2 H 1.436 0.030 1 30 9 9 LYS HD3 H 1.436 0.030 1 31 9 9 LYS CE C 42.348 0.300 1 32 9 9 LYS HE2 H 2.867 0.030 1 33 9 9 LYS HE3 H 2.867 0.030 1 34 9 9 LYS C C 174.035 0.300 1 35 10 10 PRO CA C 63.591 0.300 1 36 10 10 PRO HA H 4.246 0.030 1 37 10 10 PRO CB C 32.267 0.300 1 38 10 10 PRO HB2 H 2.007 0.030 2 39 10 10 PRO HB3 H 1.157 0.030 2 40 10 10 PRO CG C 26.638 0.300 1 41 10 10 PRO HG2 H 1.630 0.030 2 42 10 10 PRO HG3 H 1.769 0.030 2 43 10 10 PRO CD C 50.365 0.300 1 44 10 10 PRO HD2 H 3.601 0.030 2 45 10 10 PRO HD3 H 3.720 0.030 2 46 10 10 PRO C C 176.492 0.300 1 47 11 11 TYR N N 117.866 0.300 1 48 11 11 TYR H H 7.767 0.030 1 49 11 11 TYR CA C 57.355 0.300 1 50 11 11 TYR HA H 4.731 0.030 1 51 11 11 TYR CB C 38.877 0.300 1 52 11 11 TYR HB2 H 3.022 0.030 2 53 11 11 TYR HB3 H 2.826 0.030 2 54 11 11 TYR CD1 C 133.488 0.300 1 55 11 11 TYR HD1 H 7.049 0.030 1 56 11 11 TYR CD2 C 133.488 0.300 1 57 11 11 TYR HD2 H 7.049 0.030 1 58 11 11 TYR CE1 C 118.550 0.300 1 59 11 11 TYR HE1 H 6.967 0.030 1 60 11 11 TYR CE2 C 118.550 0.300 1 61 11 11 TYR HE2 H 6.967 0.030 1 62 11 11 TYR C C 174.849 0.300 1 63 12 12 SER N N 117.933 0.300 1 64 12 12 SER H H 8.645 0.030 1 65 12 12 SER CA C 57.174 0.300 1 66 12 12 SER HA H 5.270 0.030 1 67 12 12 SER CB C 65.458 0.300 1 68 12 12 SER HB2 H 3.629 0.030 1 69 12 12 SER HB3 H 3.629 0.030 1 70 12 12 SER C C 173.243 0.300 1 71 13 13 CYS N N 125.607 0.300 1 72 13 13 CYS H H 9.185 0.030 1 73 13 13 CYS CA C 59.445 0.300 1 74 13 13 CYS HA H 4.513 0.030 1 75 13 13 CYS CB C 30.133 0.300 1 76 13 13 CYS HB2 H 2.854 0.030 2 77 13 13 CYS HB3 H 3.404 0.030 2 78 13 13 CYS C C 176.806 0.300 1 79 14 14 ASN CA C 55.571 0.300 1 80 14 14 ASN HA H 4.532 0.030 1 81 14 14 ASN CB C 37.747 0.300 1 82 14 14 ASN HB2 H 2.912 0.030 2 83 14 14 ASN HB3 H 2.949 0.030 2 84 14 14 ASN ND2 N 113.544 0.300 1 85 14 14 ASN HD21 H 7.680 0.030 2 86 14 14 ASN HD22 H 7.035 0.030 2 87 14 14 ASN C C 175.128 0.300 1 88 15 15 GLU N N 121.346 0.300 1 89 15 15 GLU H H 8.862 0.030 1 90 15 15 GLU CA C 58.395 0.300 1 91 15 15 GLU HA H 4.262 0.030 1 92 15 15 GLU CB C 29.692 0.300 1 93 15 15 GLU HB2 H 1.263 0.030 2 94 15 15 GLU HB3 H 1.394 0.030 2 95 15 15 GLU CG C 36.134 0.300 1 96 15 15 GLU HG2 H 1.841 0.030 2 97 15 15 GLU HG3 H 1.932 0.030 2 98 15 15 GLU C C 177.050 0.300 1 99 16 16 CYS N N 115.108 0.300 1 100 16 16 CYS H H 7.955 0.030 1 101 16 16 CYS CA C 58.406 0.300 1 102 16 16 CYS HA H 5.166 0.030 1 103 16 16 CYS CB C 32.552 0.300 1 104 16 16 CYS HB2 H 3.439 0.030 2 105 16 16 CYS HB3 H 2.887 0.030 2 106 16 16 CYS C C 176.113 0.300 1 107 17 17 GLY N N 113.282 0.300 1 108 17 17 GLY H H 8.210 0.030 1 109 17 17 GLY CA C 46.158 0.300 1 110 17 17 GLY HA2 H 4.229 0.030 2 111 17 17 GLY HA3 H 3.869 0.030 2 112 17 17 GLY C C 174.168 0.300 1 113 18 18 LYS N N 123.728 0.300 1 114 18 18 LYS H H 8.024 0.030 1 115 18 18 LYS CA C 58.388 0.300 1 116 18 18 LYS HA H 3.899 0.030 1 117 18 18 LYS CB C 33.570 0.300 1 118 18 18 LYS HB2 H 1.399 0.030 2 119 18 18 LYS HB3 H 1.154 0.030 2 120 18 18 LYS CG C 26.226 0.300 1 121 18 18 LYS HG2 H 1.379 0.030 2 122 18 18 LYS HG3 H 1.052 0.030 2 123 18 18 LYS CD C 29.319 0.300 1 124 18 18 LYS HD2 H 1.460 0.030 2 125 18 18 LYS HD3 H 1.514 0.030 2 126 18 18 LYS CE C 42.192 0.300 1 127 18 18 LYS HE2 H 2.921 0.030 2 128 18 18 LYS HE3 H 2.992 0.030 2 129 18 18 LYS C C 173.522 0.300 1 130 19 19 ALA N N 124.052 0.300 1 131 19 19 ALA H H 7.694 0.030 1 132 19 19 ALA CA C 50.399 0.300 1 133 19 19 ALA HA H 5.061 0.030 1 134 19 19 ALA CB C 22.152 0.300 1 135 19 19 ALA HB H 1.165 0.030 1 136 19 19 ALA C C 176.089 0.300 1 137 20 20 PHE N N 116.696 0.300 1 138 20 20 PHE H H 8.620 0.030 1 139 20 20 PHE CA C 57.273 0.300 1 140 20 20 PHE HA H 4.731 0.030 1 141 20 20 PHE CB C 43.640 0.300 1 142 20 20 PHE HB2 H 3.616 0.030 2 143 20 20 PHE HB3 H 2.596 0.030 2 144 20 20 PHE CD1 C 132.495 0.300 1 145 20 20 PHE HD1 H 7.163 0.030 1 146 20 20 PHE CD2 C 132.495 0.300 1 147 20 20 PHE HD2 H 7.163 0.030 1 148 20 20 PHE CE1 C 130.572 0.300 1 149 20 20 PHE HE1 H 6.854 0.030 1 150 20 20 PHE CE2 C 130.572 0.300 1 151 20 20 PHE HE2 H 6.854 0.030 1 152 20 20 PHE CZ C 128.602 0.300 1 153 20 20 PHE HZ H 6.257 0.030 1 154 20 20 PHE C C 174.983 0.300 1 155 21 21 THR N N 118.634 0.300 1 156 21 21 THR H H 8.744 0.030 1 157 21 21 THR CA C 66.285 0.300 1 158 21 21 THR HA H 4.059 0.030 1 159 21 21 THR CB C 69.676 0.300 1 160 21 21 THR HB H 3.760 0.030 1 161 21 21 THR CG2 C 21.927 0.300 1 162 21 21 THR HG2 H 0.584 0.030 1 163 21 21 THR C C 173.364 0.300 1 164 22 22 PHE N N 114.894 0.300 1 165 22 22 PHE H H 7.843 0.030 1 166 22 22 PHE CA C 55.721 0.300 1 167 22 22 PHE HA H 5.181 0.030 1 168 22 22 PHE CB C 42.090 0.300 1 169 22 22 PHE HB2 H 3.452 0.030 2 170 22 22 PHE HB3 H 2.551 0.030 2 171 22 22 PHE CD1 C 132.090 0.300 1 172 22 22 PHE HD1 H 7.347 0.030 1 173 22 22 PHE CD2 C 132.090 0.300 1 174 22 22 PHE HD2 H 7.347 0.030 1 175 22 22 PHE CE1 C 131.603 0.300 1 176 22 22 PHE HE1 H 7.433 0.030 1 177 22 22 PHE CE2 C 131.603 0.300 1 178 22 22 PHE HE2 H 7.433 0.030 1 179 22 22 PHE CZ C 130.270 0.300 1 180 22 22 PHE HZ H 7.374 0.030 1 181 22 22 PHE C C 176.381 0.300 1 182 23 23 LYS N N 127.457 0.300 1 183 23 23 LYS H H 8.657 0.030 1 184 23 23 LYS CA C 59.680 0.300 1 185 23 23 LYS HA H 3.019 0.030 1 186 23 23 LYS CB C 31.653 0.300 1 187 23 23 LYS HB2 H 1.508 0.030 2 188 23 23 LYS HB3 H 1.017 0.030 2 189 23 23 LYS CG C 24.941 0.300 1 190 23 23 LYS HG2 H 1.020 0.030 2 191 23 23 LYS HG3 H 1.200 0.030 2 192 23 23 LYS CD C 29.276 0.300 1 193 23 23 LYS HD2 H 1.588 0.030 1 194 23 23 LYS HD3 H 1.588 0.030 1 195 23 23 LYS CE C 42.139 0.300 1 196 23 23 LYS HE2 H 2.890 0.030 2 197 23 23 LYS HE3 H 2.947 0.030 2 198 23 23 LYS C C 178.376 0.300 1 199 24 24 SER N N 112.175 0.300 1 200 24 24 SER H H 8.574 0.030 1 201 24 24 SER CA C 60.972 0.300 1 202 24 24 SER HA H 3.910 0.030 1 203 24 24 SER CB C 61.493 0.300 1 204 24 24 SER HB2 H 3.831 0.030 1 205 24 24 SER HB3 H 3.831 0.030 1 206 24 24 SER C C 176.806 0.300 1 207 25 25 GLN N N 119.551 0.300 1 208 25 25 GLN H H 6.928 0.030 1 209 25 25 GLN CA C 57.625 0.300 1 210 25 25 GLN HA H 3.953 0.030 1 211 25 25 GLN CB C 28.886 0.300 1 212 25 25 GLN HB2 H 2.661 0.030 2 213 25 25 GLN HB3 H 1.991 0.030 2 214 25 25 GLN CG C 34.682 0.300 1 215 25 25 GLN HG2 H 2.476 0.030 2 216 25 25 GLN HG3 H 2.567 0.030 2 217 25 25 GLN NE2 N 112.228 0.300 1 218 25 25 GLN HE21 H 7.752 0.030 2 219 25 25 GLN HE22 H 7.278 0.030 2 220 25 25 GLN C C 178.754 0.300 1 221 26 26 LEU N N 122.090 0.300 1 222 26 26 LEU H H 6.947 0.030 1 223 26 26 LEU CA C 57.533 0.300 1 224 26 26 LEU HA H 3.309 0.030 1 225 26 26 LEU CB C 40.550 0.300 1 226 26 26 LEU HB2 H 2.104 0.030 2 227 26 26 LEU HB3 H 1.276 0.030 2 228 26 26 LEU CG C 27.638 0.300 1 229 26 26 LEU HG H 1.563 0.030 1 230 26 26 LEU CD1 C 26.538 0.300 2 231 26 26 LEU HD1 H 1.055 0.030 1 232 26 26 LEU CD2 C 22.773 0.300 2 233 26 26 LEU HD2 H 1.050 0.030 1 234 26 26 LEU C C 177.318 0.300 1 235 27 27 ILE N N 118.535 0.300 1 236 27 27 ILE H H 7.955 0.030 1 237 27 27 ILE CA C 64.986 0.300 1 238 27 27 ILE HA H 3.526 0.030 1 239 27 27 ILE CB C 37.335 0.300 1 240 27 27 ILE HB H 1.827 0.030 1 241 27 27 ILE CG1 C 28.740 0.300 1 242 27 27 ILE HG12 H 1.216 0.030 2 243 27 27 ILE HG13 H 1.545 0.030 2 244 27 27 ILE CG2 C 17.106 0.300 1 245 27 27 ILE HG2 H 0.860 0.030 1 246 27 27 ILE CD1 C 12.385 0.300 1 247 27 27 ILE HD1 H 0.761 0.030 1 248 27 27 ILE C C 179.131 0.300 1 249 28 28 VAL N N 118.816 0.300 1 250 28 28 VAL H H 7.337 0.030 1 251 28 28 VAL CA C 66.188 0.300 1 252 28 28 VAL HA H 3.647 0.030 1 253 28 28 VAL CB C 32.100 0.300 1 254 28 28 VAL HB H 1.929 0.030 1 255 28 28 VAL CG1 C 22.683 0.300 2 256 28 28 VAL HG1 H 1.048 0.030 1 257 28 28 VAL CG2 C 21.089 0.300 2 258 28 28 VAL HG2 H 0.925 0.030 1 259 28 28 VAL C C 179.034 0.300 1 260 29 29 HIS N N 120.386 0.300 1 261 29 29 HIS H H 7.693 0.030 1 262 29 29 HIS CA C 59.203 0.300 1 263 29 29 HIS HA H 4.191 0.030 1 264 29 29 HIS CB C 28.639 0.300 1 265 29 29 HIS HB2 H 3.204 0.030 2 266 29 29 HIS HB3 H 2.859 0.030 2 267 29 29 HIS CD2 C 127.166 0.300 1 268 29 29 HIS HD2 H 6.991 0.030 1 269 29 29 HIS CE1 C 139.920 0.300 1 270 29 29 HIS HE1 H 8.031 0.030 1 271 29 29 HIS C C 175.639 0.300 1 272 30 30 LYS N N 116.039 0.300 1 273 30 30 LYS H H 8.110 0.030 1 274 30 30 LYS CA C 59.972 0.300 1 275 30 30 LYS HA H 3.744 0.030 1 276 30 30 LYS CB C 31.811 0.300 1 277 30 30 LYS HB2 H 1.996 0.030 1 278 30 30 LYS HB3 H 1.996 0.030 1 279 30 30 LYS CG C 25.897 0.300 1 280 30 30 LYS HG2 H 1.817 0.030 2 281 30 30 LYS HG3 H 1.915 0.030 2 282 30 30 LYS CD C 29.561 0.300 1 283 30 30 LYS HD2 H 1.858 0.030 1 284 30 30 LYS HD3 H 1.858 0.030 1 285 30 30 LYS CE C 41.993 0.300 1 286 30 30 LYS HE2 H 3.124 0.030 2 287 30 30 LYS HE3 H 3.226 0.030 2 288 30 30 LYS C C 178.535 0.300 1 289 31 31 GLY N N 105.302 0.300 1 290 31 31 GLY H H 7.535 0.030 1 291 31 31 GLY CA C 46.631 0.300 1 292 31 31 GLY HA2 H 3.896 0.030 2 293 31 31 GLY HA3 H 4.014 0.030 2 294 31 31 GLY C C 175.882 0.300 1 295 32 32 VAL N N 117.819 0.300 1 296 32 32 VAL H H 8.006 0.030 1 297 32 32 VAL CA C 63.726 0.300 1 298 32 32 VAL HA H 3.991 0.030 1 299 32 32 VAL CB C 31.119 0.300 1 300 32 32 VAL HB H 1.912 0.030 1 301 32 32 VAL CG1 C 19.951 0.300 2 302 32 32 VAL HG1 H 0.658 0.030 1 303 32 32 VAL CG2 C 19.457 0.300 2 304 32 32 VAL HG2 H 0.454 0.030 1 305 32 32 VAL C C 177.331 0.300 1 306 33 33 HIS N N 117.685 0.300 1 307 33 33 HIS H H 7.293 0.030 1 308 33 33 HIS CA C 55.035 0.300 1 309 33 33 HIS HA H 4.877 0.030 1 310 33 33 HIS CB C 28.797 0.300 1 311 33 33 HIS HB2 H 3.385 0.030 2 312 33 33 HIS HB3 H 3.188 0.030 2 313 33 33 HIS CD2 C 127.500 0.300 1 314 33 33 HIS HD2 H 6.669 0.030 1 315 33 33 HIS CE1 C 139.856 0.300 1 316 33 33 HIS HE1 H 8.020 0.030 1 317 33 33 HIS C C 175.408 0.300 1 318 34 34 THR N N 112.317 0.300 1 319 34 34 THR H H 7.791 0.030 1 320 34 34 THR CA C 62.359 0.300 1 321 34 34 THR HA H 4.379 0.030 1 322 34 34 THR CB C 69.838 0.300 1 323 34 34 THR HB H 4.317 0.030 1 324 34 34 THR CG2 C 21.616 0.300 1 325 34 34 THR HG2 H 1.254 0.030 1 326 34 34 THR C C 175.262 0.300 1 327 35 35 GLY N N 111.103 0.300 1 328 35 35 GLY H H 8.318 0.030 1 329 35 35 GLY CA C 45.398 0.300 1 330 35 35 GLY HA2 H 3.994 0.030 1 331 35 35 GLY HA3 H 3.994 0.030 1 332 35 35 GLY C C 173.875 0.300 1 333 36 36 VAL N N 119.868 0.300 1 334 36 36 VAL H H 7.956 0.030 1 335 36 36 VAL CA C 62.215 0.300 1 336 36 36 VAL HA H 4.087 0.030 1 337 36 36 VAL CB C 32.793 0.300 1 338 36 36 VAL HB H 2.009 0.030 1 339 36 36 VAL CG1 C 20.616 0.300 2 340 36 36 VAL HG1 H 0.917 0.030 1 341 36 36 VAL CG2 C 21.118 0.300 2 342 36 36 VAL HG2 H 0.911 0.030 1 343 36 36 VAL C C 176.041 0.300 1 344 37 37 LYS N N 127.378 0.300 1 345 37 37 LYS H H 8.475 0.030 1 346 37 37 LYS CA C 54.080 0.300 1 347 37 37 LYS HA H 4.624 0.030 1 348 37 37 LYS CB C 32.545 0.300 1 349 37 37 LYS HB2 H 1.735 0.030 2 350 37 37 LYS HB3 H 1.818 0.030 2 351 37 37 LYS CG C 24.529 0.300 1 352 37 37 LYS HG2 H 1.473 0.030 1 353 37 37 LYS HG3 H 1.473 0.030 1 354 37 37 LYS CD C 29.147 0.300 1 355 37 37 LYS HD2 H 1.691 0.030 1 356 37 37 LYS HD3 H 1.691 0.030 1 357 37 37 LYS CE C 42.174 0.300 1 358 37 37 LYS HE2 H 3.003 0.030 2 359 37 37 LYS C C 174.473 0.300 1 360 38 38 PRO CA C 63.166 0.300 1 361 38 38 PRO HA H 4.465 0.030 1 362 38 38 PRO CB C 32.220 0.300 1 363 38 38 PRO HB2 H 2.313 0.030 1 364 38 38 PRO HB3 H 2.313 0.030 1 365 38 38 PRO CG C 27.419 0.300 1 366 38 38 PRO HG2 H 2.031 0.030 1 367 38 38 PRO HG3 H 2.031 0.030 1 368 38 38 PRO CD C 50.768 0.300 1 369 38 38 PRO HD2 H 3.664 0.030 2 370 38 38 PRO HD3 H 3.872 0.030 2 371 41 41 PRO CA C 63.295 0.300 1 372 41 41 PRO HA H 4.485 0.030 1 373 41 41 PRO CB C 32.225 0.300 1 374 41 41 PRO HB2 H 2.313 0.030 1 375 41 41 PRO HB3 H 2.313 0.030 1 376 41 41 PRO CG C 27.182 0.300 1 377 41 41 PRO HG2 H 2.026 0.030 1 378 41 41 PRO HG3 H 2.026 0.030 1 379 41 41 PRO CD C 49.813 0.300 1 380 41 41 PRO HD2 H 3.635 0.030 1 381 41 41 PRO HD3 H 3.635 0.030 1 382 43 43 SER CA C 58.583 0.300 1 383 43 43 SER HA H 4.460 0.030 1 384 43 43 SER CB C 63.880 0.300 1 385 43 43 SER HB2 H 3.867 0.030 2 386 43 43 SER HB3 H 3.907 0.030 2 387 43 43 SER C C 173.861 0.300 1 388 44 44 GLY N N 116.870 0.300 1 389 44 44 GLY H H 8.051 0.030 1 390 44 44 GLY CA C 46.218 0.300 1 391 44 44 GLY HA2 H 3.754 0.030 2 392 44 44 GLY HA3 H 3.809 0.030 2 393 44 44 GLY C C 178.920 0.300 1 stop_ save_