data_10226 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 273-303) of human Zinc finger protein 268 ; _BMRB_accession_number 10226 _BMRB_flat_file_name bmr10226.str _Entry_type new _Submission_date 2008-08-19 _Accession_date 2008-08-20 _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" 211 "13C chemical shifts" 152 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-19 original author . stop_ 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 273-303) 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 'zf-C2H2, UNP residues 273-303' $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, UNP residues 273-303' _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSSGSSGEKPFGCSCCEKAF SSKSYLLVHQQTHAEEKPSG 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 PHE 12 GLY 13 CYS 14 SER 15 CYS 16 CYS 17 GLU 18 LYS 19 ALA 20 PHE 21 SER 22 SER 23 LYS 24 SER 25 TYR 26 LEU 27 LEU 28 VAL 29 HIS 30 GLN 31 GLN 32 THR 33 HIS 34 ALA 35 GLU 36 GLU 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 2015-06-23 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 2EMX "Solution Structure Of The C2h2 Type Zinc Finger (Region 273- 303) Of Human Zinc Finger Protein 268" 100.00 44 100.00 100.00 1.59e-20 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination 'zf-C2H2, UNP residues 273-303' 13 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 273-303' 16 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 273-303' 29 HIS NE2 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 273-303' 33 HIS NE2 'ZINC ION' . . ZN stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'zf-C2H2, UNP residues 273-303' 13 CYS HG 'zf-C2H2, UNP residues 273-303' 16 CYS HG 'zf-C2H2, UNP residues 273-303' 29 HIS HE2 'zf-C2H2, UNP residues 273-303' 33 HIS HE2 stop_ 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 P061218-01 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 'structure solution' refinement 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 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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, UNP residues 273-303' _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 6 6 SER HA H 4.472 0.030 1 2 6 6 SER HB2 H 3.871 0.030 1 3 6 6 SER HB3 H 3.871 0.030 1 4 6 6 SER C C 175.020 0.300 1 5 6 6 SER CA C 58.304 0.300 1 6 6 6 SER CB C 63.873 0.300 1 7 7 7 GLY H H 8.386 0.030 1 8 7 7 GLY HA2 H 3.924 0.030 1 9 7 7 GLY HA3 H 3.924 0.030 1 10 7 7 GLY C C 174.161 0.300 1 11 7 7 GLY CA C 45.367 0.300 1 12 7 7 GLY N N 110.381 0.300 1 13 8 8 GLU H H 8.187 0.030 1 14 8 8 GLU HA H 4.177 0.030 1 15 8 8 GLU HB2 H 1.981 0.030 2 16 8 8 GLU HB3 H 1.903 0.030 2 17 8 8 GLU HG2 H 2.241 0.030 1 18 8 8 GLU HG3 H 2.241 0.030 1 19 8 8 GLU C C 176.520 0.300 1 20 8 8 GLU CA C 56.976 0.300 1 21 8 8 GLU CB C 30.382 0.300 1 22 8 8 GLU CG C 36.280 0.300 1 23 8 8 GLU N N 119.901 0.300 1 24 9 9 LYS H H 8.200 0.030 1 25 9 9 LYS HA H 4.416 0.030 1 26 9 9 LYS HB2 H 1.525 0.030 2 27 9 9 LYS HB3 H 1.323 0.030 2 28 9 9 LYS HD2 H 1.450 0.030 2 29 9 9 LYS HD3 H 1.538 0.030 2 30 9 9 LYS HE2 H 2.907 0.030 1 31 9 9 LYS HE3 H 2.907 0.030 1 32 9 9 LYS HG2 H 1.275 0.030 2 33 9 9 LYS HG3 H 1.118 0.030 2 34 9 9 LYS C C 173.641 0.300 1 35 9 9 LYS CA C 53.656 0.300 1 36 9 9 LYS CB C 32.917 0.300 1 37 9 9 LYS CD C 29.335 0.300 1 38 9 9 LYS CE C 42.251 0.300 1 39 9 9 LYS CG C 24.878 0.300 1 40 9 9 LYS N N 120.895 0.300 1 41 10 10 PRO HA H 4.273 0.030 1 42 10 10 PRO HB2 H 1.187 0.030 2 43 10 10 PRO HB3 H 1.979 0.030 2 44 10 10 PRO HD2 H 3.571 0.030 1 45 10 10 PRO HD3 H 3.571 0.030 1 46 10 10 PRO HG2 H 1.770 0.030 2 47 10 10 PRO HG3 H 1.576 0.030 2 48 10 10 PRO C C 176.563 0.300 1 49 10 10 PRO CA C 63.422 0.300 1 50 10 10 PRO CB C 32.176 0.300 1 51 10 10 PRO CD C 50.313 0.300 1 52 10 10 PRO CG C 26.672 0.300 1 53 11 11 PHE H H 8.042 0.030 1 54 11 11 PHE HA H 4.730 0.030 1 55 11 11 PHE HB2 H 3.020 0.030 2 56 11 11 PHE HB3 H 2.936 0.030 2 57 11 11 PHE HD1 H 7.162 0.030 1 58 11 11 PHE HD2 H 7.162 0.030 1 59 11 11 PHE HE1 H 7.399 0.030 1 60 11 11 PHE HE2 H 7.399 0.030 1 61 11 11 PHE HZ H 7.389 0.030 1 62 11 11 PHE C C 175.426 0.300 1 63 11 11 PHE CA C 56.997 0.300 1 64 11 11 PHE CB C 38.416 0.300 1 65 11 11 PHE CD1 C 131.689 0.300 1 66 11 11 PHE CD2 C 131.689 0.300 1 67 11 11 PHE CE1 C 131.678 0.300 1 68 11 11 PHE CE2 C 131.678 0.300 1 69 11 11 PHE CZ C 130.213 0.300 1 70 11 11 PHE N N 117.903 0.300 1 71 12 12 GLY H H 8.457 0.030 1 72 12 12 GLY HA2 H 4.500 0.030 2 73 12 12 GLY HA3 H 3.769 0.030 2 74 12 12 GLY C C 172.909 0.300 1 75 12 12 GLY CA C 44.866 0.300 1 76 12 12 GLY N N 112.502 0.300 1 77 13 13 CYS H H 8.686 0.030 1 78 13 13 CYS HA H 4.547 0.030 1 79 13 13 CYS HB2 H 2.799 0.030 2 80 13 13 CYS HB3 H 3.452 0.030 2 81 13 13 CYS C C 175.788 0.300 1 82 13 13 CYS CA C 60.179 0.300 1 83 13 13 CYS CB C 29.839 0.300 1 84 13 13 CYS N N 125.797 0.300 1 85 14 14 SER H H 8.704 0.030 1 86 14 14 SER HA H 4.546 0.030 1 87 14 14 SER HB2 H 4.106 0.030 2 88 14 14 SER HB3 H 4.023 0.030 2 89 14 14 SER C C 175.396 0.300 1 90 14 14 SER CA C 60.293 0.300 1 91 14 14 SER CB C 63.628 0.300 1 92 14 14 SER N N 122.866 0.300 1 93 15 15 CYS H H 9.679 0.030 1 94 15 15 CYS HA H 4.535 0.030 1 95 15 15 CYS HB2 H 2.366 0.030 2 96 15 15 CYS HB3 H 1.858 0.030 2 97 15 15 CYS C C 173.642 0.300 1 98 15 15 CYS CA C 59.398 0.300 1 99 15 15 CYS CB C 28.432 0.300 1 100 15 15 CYS N N 122.384 0.300 1 101 16 16 CYS H H 7.858 0.030 1 102 16 16 CYS HA H 4.962 0.030 1 103 16 16 CYS HB2 H 3.338 0.030 2 104 16 16 CYS HB3 H 3.180 0.030 2 105 16 16 CYS C C 173.129 0.300 1 106 16 16 CYS CA C 58.452 0.300 1 107 16 16 CYS CB C 30.396 0.300 1 108 16 16 CYS N N 119.545 0.300 1 109 17 17 GLU H H 8.764 0.030 1 110 17 17 GLU HA H 4.380 0.030 1 111 17 17 GLU HB2 H 2.151 0.030 2 112 17 17 GLU HB3 H 2.070 0.030 2 113 17 17 GLU HG2 H 2.320 0.030 2 114 17 17 GLU HG3 H 2.168 0.030 2 115 17 17 GLU C C 176.904 0.300 1 116 17 17 GLU CA C 57.191 0.300 1 117 17 17 GLU CB C 29.126 0.300 1 118 17 17 GLU CG C 36.083 0.300 1 119 17 17 GLU N N 115.814 0.300 1 120 18 18 LYS H H 8.528 0.030 1 121 18 18 LYS HA H 3.958 0.030 1 122 18 18 LYS HB2 H 1.316 0.030 2 123 18 18 LYS HB3 H 1.226 0.030 2 124 18 18 LYS HD2 H 1.537 0.030 2 125 18 18 LYS HD3 H 1.482 0.030 2 126 18 18 LYS HE2 H 3.038 0.030 2 127 18 18 LYS HE3 H 2.989 0.030 2 128 18 18 LYS HG2 H 1.538 0.030 2 129 18 18 LYS HG3 H 1.343 0.030 2 130 18 18 LYS C C 174.076 0.300 1 131 18 18 LYS CA C 57.981 0.300 1 132 18 18 LYS CB C 33.843 0.300 1 133 18 18 LYS CD C 28.871 0.300 1 134 18 18 LYS CE C 42.364 0.300 1 135 18 18 LYS CG C 26.630 0.300 1 136 18 18 LYS N N 123.831 0.300 1 137 19 19 ALA H H 7.491 0.030 1 138 19 19 ALA HA H 4.927 0.030 1 139 19 19 ALA HB H 1.176 0.030 1 140 19 19 ALA C C 175.484 0.300 1 141 19 19 ALA CA C 50.701 0.300 1 142 19 19 ALA CB C 22.473 0.300 1 143 19 19 ALA N N 121.053 0.300 1 144 20 20 PHE H H 8.290 0.030 1 145 20 20 PHE HA H 4.866 0.030 1 146 20 20 PHE HB2 H 2.928 0.030 2 147 20 20 PHE HB3 H 3.532 0.030 2 148 20 20 PHE HD1 H 7.349 0.030 1 149 20 20 PHE HD2 H 7.349 0.030 1 150 20 20 PHE HE1 H 6.894 0.030 1 151 20 20 PHE HE2 H 6.894 0.030 1 152 20 20 PHE HZ H 6.283 0.030 1 153 20 20 PHE C C 175.801 0.300 1 154 20 20 PHE CA C 57.490 0.300 1 155 20 20 PHE CB C 44.753 0.300 1 156 20 20 PHE CD1 C 132.242 0.300 1 157 20 20 PHE CD2 C 132.242 0.300 1 158 20 20 PHE CE1 C 130.858 0.300 1 159 20 20 PHE CE2 C 130.858 0.300 1 160 20 20 PHE CZ C 129.414 0.300 1 161 20 20 PHE N N 115.317 0.300 1 162 21 21 SER H H 9.484 0.030 1 163 21 21 SER HA H 4.683 0.030 1 164 21 21 SER HB2 H 4.246 0.030 2 165 21 21 SER HB3 H 4.059 0.030 2 166 21 21 SER C C 173.786 0.300 1 167 21 21 SER CA C 59.901 0.300 1 168 21 21 SER CB C 64.199 0.300 1 169 21 21 SER N N 114.943 0.300 1 170 22 22 SER H H 7.464 0.030 1 171 22 22 SER HA H 4.647 0.030 1 172 22 22 SER HB2 H 3.656 0.030 2 173 22 22 SER HB3 H 3.879 0.030 2 174 22 22 SER C C 173.389 0.300 1 175 22 22 SER CA C 56.125 0.300 1 176 22 22 SER CB C 66.257 0.300 1 177 22 22 SER N N 113.183 0.300 1 178 23 23 LYS H H 8.305 0.030 1 179 23 23 LYS HA H 3.284 0.030 1 180 23 23 LYS HB2 H 1.213 0.030 2 181 23 23 LYS HB3 H 1.500 0.030 2 182 23 23 LYS HD2 H 1.625 0.030 2 183 23 23 LYS HD3 H 1.586 0.030 2 184 23 23 LYS HE2 H 2.919 0.030 1 185 23 23 LYS HE3 H 2.919 0.030 1 186 23 23 LYS HG2 H 1.078 0.030 2 187 23 23 LYS HG3 H 1.183 0.030 2 188 23 23 LYS C C 178.132 0.300 1 189 23 23 LYS CA C 58.851 0.300 1 190 23 23 LYS CB C 31.827 0.300 1 191 23 23 LYS CD C 29.187 0.300 1 192 23 23 LYS CE C 42.228 0.300 1 193 23 23 LYS CG C 24.946 0.300 1 194 23 23 LYS N N 125.042 0.300 1 195 24 24 SER H H 8.151 0.030 1 196 24 24 SER HA H 3.975 0.030 1 197 24 24 SER HB2 H 3.681 0.030 2 198 24 24 SER HB3 H 3.649 0.030 2 199 24 24 SER C C 177.011 0.300 1 200 24 24 SER CA C 61.634 0.300 1 201 24 24 SER CB C 61.917 0.300 1 202 24 24 SER N N 113.709 0.300 1 203 25 25 TYR H H 7.271 0.030 1 204 25 25 TYR HA H 4.272 0.030 1 205 25 25 TYR HB2 H 3.130 0.030 2 206 25 25 TYR HB3 H 3.011 0.030 2 207 25 25 TYR HD1 H 7.193 0.030 1 208 25 25 TYR HD2 H 7.193 0.030 1 209 25 25 TYR HE1 H 6.857 0.030 1 210 25 25 TYR HE2 H 6.857 0.030 1 211 25 25 TYR C C 178.725 0.300 1 212 25 25 TYR CA C 59.301 0.300 1 213 25 25 TYR CB C 37.448 0.300 1 214 25 25 TYR CD1 C 132.262 0.300 1 215 25 25 TYR CD2 C 132.262 0.300 1 216 25 25 TYR CE1 C 118.437 0.300 1 217 25 25 TYR CE2 C 118.437 0.300 1 218 25 25 TYR N N 119.928 0.300 1 219 26 26 LEU H H 7.350 0.030 1 220 26 26 LEU HA H 3.489 0.030 1 221 26 26 LEU HB2 H 2.104 0.030 2 222 26 26 LEU HB3 H 1.544 0.030 2 223 26 26 LEU HD1 H 1.125 0.030 1 224 26 26 LEU HD2 H 1.053 0.030 1 225 26 26 LEU HG H 1.553 0.030 1 226 26 26 LEU C C 177.610 0.300 1 227 26 26 LEU CA C 58.142 0.300 1 228 26 26 LEU CB C 40.508 0.300 1 229 26 26 LEU CD1 C 22.482 0.300 2 230 26 26 LEU CD2 C 26.406 0.300 2 231 26 26 LEU CG C 27.647 0.300 1 232 26 26 LEU N N 121.655 0.300 1 233 27 27 LEU H H 8.265 0.030 1 234 27 27 LEU HA H 4.037 0.030 1 235 27 27 LEU HB2 H 1.533 0.030 2 236 27 27 LEU HB3 H 1.791 0.030 2 237 27 27 LEU HD1 H 0.852 0.030 1 238 27 27 LEU HD2 H 0.844 0.030 1 239 27 27 LEU HG H 1.711 0.030 1 240 27 27 LEU C C 180.253 0.300 1 241 27 27 LEU CA C 58.439 0.300 1 242 27 27 LEU CB C 41.331 0.300 1 243 27 27 LEU CD1 C 23.077 0.300 2 244 27 27 LEU CD2 C 24.974 0.300 2 245 27 27 LEU CG C 27.034 0.300 1 246 27 27 LEU N N 119.638 0.300 1 247 28 28 VAL H H 7.309 0.030 1 248 28 28 VAL HA H 3.657 0.030 1 249 28 28 VAL HB H 1.931 0.030 1 250 28 28 VAL HG1 H 1.019 0.030 1 251 28 28 VAL HG2 H 0.893 0.030 1 252 28 28 VAL C C 178.970 0.300 1 253 28 28 VAL CA C 66.180 0.300 1 254 28 28 VAL CB C 31.969 0.300 1 255 28 28 VAL CG1 C 22.377 0.300 2 256 28 28 VAL CG2 C 21.127 0.300 2 257 28 28 VAL N N 118.388 0.300 1 258 29 29 HIS H H 7.497 0.030 1 259 29 29 HIS HA H 4.243 0.030 1 260 29 29 HIS HB2 H 2.740 0.030 2 261 29 29 HIS HB3 H 3.003 0.030 2 262 29 29 HIS HD2 H 7.075 0.030 1 263 29 29 HIS HE1 H 7.938 0.030 1 264 29 29 HIS C C 178.219 0.300 1 265 29 29 HIS CA C 59.279 0.300 1 266 29 29 HIS CB C 28.454 0.300 1 267 29 29 HIS CD2 C 127.710 0.300 1 268 29 29 HIS CE1 C 139.545 0.300 1 269 29 29 HIS N N 119.388 0.300 1 270 30 30 GLN H H 9.111 0.030 1 271 30 30 GLN HA H 3.747 0.030 1 272 30 30 GLN HB2 H 2.175 0.030 2 273 30 30 GLN HB3 H 2.357 0.030 2 274 30 30 GLN HE21 H 7.544 0.030 2 275 30 30 GLN HE22 H 6.897 0.030 2 276 30 30 GLN HG2 H 2.776 0.030 1 277 30 30 GLN HG3 H 2.776 0.030 1 278 30 30 GLN C C 178.137 0.300 1 279 30 30 GLN CA C 59.764 0.300 1 280 30 30 GLN CB C 28.344 0.300 1 281 30 30 GLN CG C 35.392 0.300 1 282 30 30 GLN N N 120.017 0.300 1 283 30 30 GLN NE2 N 111.263 0.300 1 284 31 31 GLN H H 7.359 0.030 1 285 31 31 GLN HA H 4.112 0.030 1 286 31 31 GLN HB2 H 2.162 0.030 1 287 31 31 GLN HB3 H 2.162 0.030 1 288 31 31 GLN HE21 H 7.477 0.030 2 289 31 31 GLN HE22 H 6.860 0.030 2 290 31 31 GLN HG2 H 2.578 0.030 2 291 31 31 GLN HG3 H 2.479 0.030 2 292 31 31 GLN C C 177.890 0.300 1 293 31 31 GLN CA C 58.085 0.300 1 294 31 31 GLN CB C 28.221 0.300 1 295 31 31 GLN CG C 33.770 0.300 1 296 31 31 GLN N N 117.750 0.300 1 297 31 31 GLN NE2 N 111.730 0.300 1 298 32 32 THR H H 7.742 0.030 1 299 32 32 THR HA H 4.117 0.030 1 300 32 32 THR HB H 4.016 0.030 1 301 32 32 THR HG2 H 1.166 0.030 1 302 32 32 THR C C 175.615 0.300 1 303 32 32 THR CA C 64.073 0.300 1 304 32 32 THR CB C 69.291 0.300 1 305 32 32 THR CG2 C 20.946 0.300 1 306 32 32 THR N N 109.905 0.300 1 307 33 33 HIS H H 7.068 0.030 1 308 33 33 HIS HA H 4.753 0.030 1 309 33 33 HIS HB2 H 3.092 0.030 2 310 33 33 HIS HB3 H 3.312 0.030 2 311 33 33 HIS HD2 H 6.528 0.030 1 312 33 33 HIS HE1 H 7.963 0.030 1 313 33 33 HIS C C 175.057 0.300 1 314 33 33 HIS CA C 55.691 0.300 1 315 33 33 HIS CB C 28.724 0.300 1 316 33 33 HIS CD2 C 127.200 0.300 1 317 33 33 HIS CE1 C 139.894 0.300 1 318 33 33 HIS N N 118.435 0.300 1 319 34 34 ALA H H 7.616 0.030 1 320 34 34 ALA HA H 4.296 0.030 1 321 34 34 ALA HB H 1.445 0.030 1 322 34 34 ALA C C 177.663 0.300 1 323 34 34 ALA CA C 53.171 0.300 1 324 34 34 ALA CB C 19.230 0.300 1 325 34 34 ALA N N 123.327 0.300 1 326 35 35 GLU H H 8.207 0.030 1 327 35 35 GLU HA H 4.269 0.030 1 328 35 35 GLU HB2 H 1.985 0.030 2 329 35 35 GLU HB3 H 1.901 0.030 2 330 35 35 GLU HG2 H 2.306 0.030 2 331 35 35 GLU HG3 H 2.216 0.030 2 332 35 35 GLU C C 176.386 0.300 1 333 35 35 GLU CA C 56.465 0.300 1 334 35 35 GLU CB C 30.389 0.300 1 335 35 35 GLU CG C 36.259 0.300 1 336 35 35 GLU N N 119.026 0.300 1 337 36 36 GLU H H 8.207 0.030 1 338 36 36 GLU HA H 4.259 0.030 1 339 36 36 GLU HB2 H 2.064 0.030 2 340 36 36 GLU HB3 H 1.931 0.030 2 341 36 36 GLU HG2 H 2.305 0.030 2 342 36 36 GLU HG3 H 2.240 0.030 2 343 36 36 GLU C C 176.128 0.300 1 344 36 36 GLU CA C 56.492 0.300 1 345 36 36 GLU CB C 30.388 0.300 1 346 36 36 GLU CG C 36.259 0.300 1 347 36 36 GLU N N 122.100 0.300 1 348 37 37 LYS H H 8.374 0.030 1 349 37 37 LYS HA H 4.625 0.030 1 350 37 37 LYS HB2 H 1.816 0.030 2 351 37 37 LYS HB3 H 1.730 0.030 2 352 37 37 LYS HD2 H 1.685 0.030 1 353 37 37 LYS HD3 H 1.685 0.030 1 354 37 37 LYS HE2 H 3.005 0.030 1 355 37 37 LYS HE3 H 3.005 0.030 1 356 37 37 LYS HG2 H 1.455 0.030 1 357 37 37 LYS HG3 H 1.455 0.030 1 358 37 37 LYS C C 174.358 0.300 1 359 37 37 LYS CA C 54.050 0.300 1 360 37 37 LYS CB C 32.522 0.300 1 361 37 37 LYS CD C 29.166 0.300 1 362 37 37 LYS CE C 42.208 0.300 1 363 37 37 LYS CG C 24.507 0.300 1 364 37 37 LYS N N 123.799 0.300 1 365 38 38 PRO HA H 4.475 0.030 1 366 38 38 PRO HB2 H 2.315 0.030 2 367 38 38 PRO HB3 H 1.932 0.030 2 368 38 38 PRO HD2 H 3.818 0.030 2 369 38 38 PRO HD3 H 3.642 0.030 2 370 38 38 PRO HG2 H 2.021 0.030 1 371 38 38 PRO HG3 H 2.021 0.030 1 372 38 38 PRO CA C 63.272 0.300 1 373 38 38 PRO CB C 32.188 0.300 1 374 38 38 PRO CD C 50.663 0.300 1 375 38 38 PRO CG C 27.322 0.300 1 376 39 39 SER HA H 4.471 0.030 1 377 39 39 SER HB2 H 3.866 0.030 2 378 39 39 SER CA C 58.269 0.300 1 379 39 39 SER CB C 63.956 0.300 1 380 40 40 GLY H H 8.233 0.030 1 381 40 40 GLY HA2 H 4.166 0.030 2 382 40 40 GLY HA3 H 4.096 0.030 2 383 40 40 GLY CA C 44.662 0.300 1 384 40 40 GLY N N 110.667 0.300 1 385 41 41 PRO HA H 4.472 0.030 1 386 41 41 PRO HB2 H 2.302 0.030 2 387 41 41 PRO HB3 H 1.919 0.030 2 388 41 41 PRO HD2 H 3.623 0.030 1 389 41 41 PRO HD3 H 3.623 0.030 1 390 41 41 PRO HG2 H 2.017 0.030 1 391 41 41 PRO HG3 H 2.017 0.030 1 392 41 41 PRO CA C 63.359 0.300 1 393 41 41 PRO CB C 32.173 0.300 1 394 41 41 PRO CD C 49.800 0.300 1 395 41 41 PRO CG C 27.194 0.300 1 396 42 42 SER H H 8.511 0.030 1 397 42 42 SER N N 116.630 0.300 1 stop_ save_