data_10303 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 752-784) of human Zinc finger protein 28 homolog ; _BMRB_accession_number 10303 _BMRB_flat_file_name bmr10303.str _Entry_type new _Submission_date 2009-03-10 _Accession_date 2009-03-10 _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" 216 "13C chemical shifts" 160 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 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 752-784) of human Zinc finger protein 28 homolog ; _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 28 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2, UNP residues 752-784' $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 752-784' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYECSVCGK AFSHRQSLSVHQRIHSGKKP 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 GLU 15 CYS 16 SER 17 VAL 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 SER 24 HIS 25 ARG 26 GLN 27 SER 28 LEU 29 SER 30 VAL 31 HIS 32 GLN 33 ARG 34 ILE 35 HIS 36 SER 37 GLY 38 LYS 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 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 2EML "Solution Structure Of The C2h2 Type Zinc Finger (Region 752- 784) Of Human Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 1.03e-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 no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 752-784' 15 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 752-784' 18 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 752-784' 31 HIS NE2 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 752-784' 35 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 752-784' 15 CYS HG 'zf-C2H2, UNP residues 752-784' 18 CYS HG 'zf-C2H2, UNP residues 752-784' 31 HIS HE2 'zf-C2H2, UNP residues 752-784' 35 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 P061225-36 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 '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 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 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 752-784' _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 HA3 H 4.040 0.030 2 2 7 7 GLY C C 174.567 0.300 1 3 7 7 GLY CA C 45.375 0.300 1 4 8 8 THR H H 8.140 0.030 1 5 8 8 THR HA H 4.372 0.030 1 6 8 8 THR HB H 4.290 0.030 1 7 8 8 THR HG2 H 1.185 0.030 1 8 8 8 THR C C 175.298 0.300 1 9 8 8 THR CA C 61.817 0.300 1 10 8 8 THR CB C 69.876 0.300 1 11 8 8 THR CG2 C 21.516 0.300 1 12 8 8 THR N N 112.821 0.300 1 13 9 9 GLY H H 8.439 0.030 1 14 9 9 GLY HA2 H 3.911 0.030 2 15 9 9 GLY HA3 H 3.965 0.030 2 16 9 9 GLY C C 174.075 0.300 1 17 9 9 GLY CA C 45.286 0.300 1 18 9 9 GLY N N 110.958 0.300 1 19 10 10 GLU H H 8.212 0.030 1 20 10 10 GLU HA H 4.178 0.030 1 21 10 10 GLU HB2 H 1.886 0.030 2 22 10 10 GLU HB3 H 1.980 0.030 2 23 10 10 GLU HG2 H 2.200 0.030 2 24 10 10 GLU HG3 H 2.246 0.030 2 25 10 10 GLU C C 176.504 0.300 1 26 10 10 GLU CA C 56.885 0.300 1 27 10 10 GLU CB C 30.436 0.300 1 28 10 10 GLU CG C 36.302 0.300 1 29 10 10 GLU N N 120.168 0.300 1 30 11 11 LYS H H 8.302 0.030 1 31 11 11 LYS HA H 4.454 0.030 1 32 11 11 LYS HB2 H 1.415 0.030 2 33 11 11 LYS HB3 H 1.564 0.030 2 34 11 11 LYS HD2 H 1.487 0.030 1 35 11 11 LYS HD3 H 1.487 0.030 1 36 11 11 LYS HE2 H 2.904 0.030 1 37 11 11 LYS HE3 H 2.904 0.030 1 38 11 11 LYS HG2 H 1.186 0.030 2 39 11 11 LYS HG3 H 1.290 0.030 2 40 11 11 LYS C C 173.743 0.300 1 41 11 11 LYS CA C 53.820 0.300 1 42 11 11 LYS CB C 33.080 0.300 1 43 11 11 LYS CD C 29.406 0.300 1 44 11 11 LYS CE C 42.227 0.300 1 45 11 11 LYS CG C 24.654 0.300 1 46 11 11 LYS N N 121.757 0.300 1 47 12 12 PRO HA H 4.256 0.030 1 48 12 12 PRO HB2 H 1.993 0.030 2 49 12 12 PRO HB3 H 1.240 0.030 2 50 12 12 PRO HD2 H 3.552 0.030 1 51 12 12 PRO HD3 H 3.552 0.030 1 52 12 12 PRO HG2 H 1.518 0.030 2 53 12 12 PRO HG3 H 1.752 0.030 2 54 12 12 PRO C C 176.343 0.300 1 55 12 12 PRO CA C 63.383 0.300 1 56 12 12 PRO CB C 32.270 0.300 1 57 12 12 PRO CD C 50.215 0.300 1 58 12 12 PRO CG C 26.639 0.300 1 59 13 13 TYR H H 7.912 0.030 1 60 13 13 TYR HA H 4.627 0.030 1 61 13 13 TYR HB2 H 2.808 0.030 2 62 13 13 TYR HB3 H 2.965 0.030 2 63 13 13 TYR HD1 H 6.970 0.030 1 64 13 13 TYR HD2 H 6.970 0.030 1 65 13 13 TYR HE1 H 6.847 0.030 1 66 13 13 TYR HE2 H 6.847 0.030 1 67 13 13 TYR C C 174.625 0.300 1 68 13 13 TYR CA C 57.307 0.300 1 69 13 13 TYR CB C 38.416 0.300 1 70 13 13 TYR CD1 C 133.078 0.300 1 71 13 13 TYR CD2 C 133.078 0.300 1 72 13 13 TYR CE1 C 118.407 0.300 1 73 13 13 TYR CE2 C 118.407 0.300 1 74 13 13 TYR N N 118.410 0.300 1 75 14 14 GLU H H 8.568 0.030 1 76 14 14 GLU HA H 4.916 0.030 1 77 14 14 GLU HB2 H 1.806 0.030 1 78 14 14 GLU HB3 H 1.806 0.030 1 79 14 14 GLU HG2 H 1.926 0.030 2 80 14 14 GLU HG3 H 2.004 0.030 2 81 14 14 GLU C C 175.505 0.300 1 82 14 14 GLU CA C 54.945 0.300 1 83 14 14 GLU CB C 32.871 0.300 1 84 14 14 GLU CG C 36.585 0.300 1 85 14 14 GLU N N 123.986 0.300 1 86 15 15 CYS H H 9.295 0.030 1 87 15 15 CYS HA H 4.553 0.030 1 88 15 15 CYS HB2 H 2.895 0.030 2 89 15 15 CYS HB3 H 3.423 0.030 2 90 15 15 CYS C C 177.458 0.300 1 91 15 15 CYS CA C 59.694 0.300 1 92 15 15 CYS CB C 29.570 0.300 1 93 15 15 CYS N N 126.641 0.300 1 94 16 16 SER HA H 4.298 0.030 1 95 16 16 SER HB2 H 4.045 0.030 1 96 16 16 SER HB3 H 4.045 0.030 1 97 16 16 SER C C 174.313 0.300 1 98 16 16 SER CA C 60.812 0.300 1 99 16 16 SER CB C 63.035 0.300 1 100 17 17 VAL H H 8.690 0.030 1 101 17 17 VAL HA H 3.818 0.030 1 102 17 17 VAL HB H 1.202 0.030 1 103 17 17 VAL HG1 H 0.799 0.030 1 104 17 17 VAL HG2 H 0.306 0.030 1 105 17 17 VAL C C 177.029 0.300 1 106 17 17 VAL CA C 65.085 0.300 1 107 17 17 VAL CB C 32.790 0.300 1 108 17 17 VAL CG1 C 21.396 0.300 2 109 17 17 VAL CG2 C 20.145 0.300 2 110 17 17 VAL N N 124.036 0.300 1 111 18 18 CYS H H 7.965 0.030 1 112 18 18 CYS HA H 5.156 0.030 1 113 18 18 CYS HB2 H 3.479 0.030 2 114 18 18 CYS HB3 H 2.786 0.030 2 115 18 18 CYS C C 176.508 0.300 1 116 18 18 CYS CA C 58.194 0.300 1 117 18 18 CYS CB C 32.757 0.300 1 118 18 18 CYS N N 115.267 0.300 1 119 19 19 GLY H H 8.107 0.030 1 120 19 19 GLY HA2 H 4.226 0.030 2 121 19 19 GLY HA3 H 3.867 0.030 2 122 19 19 GLY C C 173.638 0.300 1 123 19 19 GLY CA C 46.194 0.300 1 124 19 19 GLY N N 113.598 0.300 1 125 20 20 LYS H H 7.955 0.030 1 126 20 20 LYS HA H 3.950 0.030 1 127 20 20 LYS HB2 H 1.486 0.030 2 128 20 20 LYS HB3 H 1.224 0.030 2 129 20 20 LYS HD2 H 1.441 0.030 2 130 20 20 LYS HD3 H 1.534 0.030 2 131 20 20 LYS HE2 H 2.894 0.030 2 132 20 20 LYS HE3 H 2.971 0.030 2 133 20 20 LYS HG2 H 1.059 0.030 2 134 20 20 LYS HG3 H 1.370 0.030 2 135 20 20 LYS C C 173.844 0.300 1 136 20 20 LYS CA C 58.189 0.300 1 137 20 20 LYS CB C 33.594 0.300 1 138 20 20 LYS CD C 29.250 0.300 1 139 20 20 LYS CE C 42.228 0.300 1 140 20 20 LYS CG C 26.101 0.300 1 141 20 20 LYS N N 123.004 0.300 1 142 21 21 ALA H H 7.830 0.030 1 143 21 21 ALA HA H 5.136 0.030 1 144 21 21 ALA HB H 1.236 0.030 1 145 21 21 ALA C C 176.425 0.300 1 146 21 21 ALA CA C 50.556 0.300 1 147 21 21 ALA CB C 22.069 0.300 1 148 21 21 ALA N N 124.594 0.300 1 149 22 22 PHE H H 8.694 0.030 1 150 22 22 PHE HA H 4.710 0.030 1 151 22 22 PHE HB2 H 3.434 0.030 2 152 22 22 PHE HB3 H 2.703 0.030 2 153 22 22 PHE HD1 H 7.248 0.030 1 154 22 22 PHE HD2 H 7.248 0.030 1 155 22 22 PHE HE1 H 6.831 0.030 1 156 22 22 PHE HE2 H 6.831 0.030 1 157 22 22 PHE HZ H 6.291 0.030 1 158 22 22 PHE C C 175.661 0.300 1 159 22 22 PHE CA C 57.352 0.300 1 160 22 22 PHE CB C 43.939 0.300 1 161 22 22 PHE CD1 C 132.403 0.300 1 162 22 22 PHE CD2 C 132.403 0.300 1 163 22 22 PHE CE1 C 130.703 0.300 1 164 22 22 PHE CE2 C 130.703 0.300 1 165 22 22 PHE CZ C 128.724 0.300 1 166 22 22 PHE N N 116.954 0.300 1 167 23 23 SER HA H 4.559 0.030 1 168 23 23 SER HB2 H 3.870 0.030 2 169 23 23 SER HB3 H 3.940 0.030 2 170 23 23 SER C C 173.459 0.300 1 171 23 23 SER CA C 60.449 0.300 1 172 23 23 SER CB C 64.031 0.300 1 173 24 24 HIS H H 7.468 0.030 1 174 24 24 HIS HA H 4.900 0.030 1 175 24 24 HIS HB2 H 3.301 0.030 2 176 24 24 HIS HB3 H 3.023 0.030 2 177 24 24 HIS HD2 H 7.181 0.030 1 178 24 24 HIS HE1 H 7.828 0.030 1 179 24 24 HIS C C 175.356 0.300 1 180 24 24 HIS CA C 55.441 0.300 1 181 24 24 HIS CB C 33.737 0.300 1 182 24 24 HIS CD2 C 119.328 0.300 1 183 24 24 HIS CE1 C 138.846 0.300 1 184 24 24 HIS N N 116.965 0.300 1 185 25 25 ARG H H 8.576 0.030 1 186 25 25 ARG HA H 3.125 0.030 1 187 25 25 ARG HB2 H 1.306 0.030 2 188 25 25 ARG HB3 H 1.485 0.030 2 189 25 25 ARG HD2 H 3.057 0.030 1 190 25 25 ARG HD3 H 3.057 0.030 1 191 25 25 ARG HG2 H 1.249 0.030 1 192 25 25 ARG HG3 H 1.249 0.030 1 193 25 25 ARG C C 178.817 0.300 1 194 25 25 ARG CA C 59.490 0.300 1 195 25 25 ARG CB C 29.522 0.300 1 196 25 25 ARG CD C 43.082 0.300 1 197 25 25 ARG CG C 27.216 0.300 1 198 25 25 ARG N N 126.293 0.300 1 199 26 26 GLN HA H 4.076 0.030 1 200 26 26 GLN HB2 H 2.112 0.030 2 201 26 26 GLN HB3 H 2.016 0.030 2 202 26 26 GLN HE21 H 7.378 0.030 2 203 26 26 GLN HE22 H 6.812 0.030 2 204 26 26 GLN HG2 H 2.416 0.030 1 205 26 26 GLN HG3 H 2.416 0.030 1 206 26 26 GLN C C 178.053 0.300 1 207 26 26 GLN CA C 59.093 0.300 1 208 26 26 GLN CB C 27.565 0.300 1 209 26 26 GLN CG C 33.522 0.300 1 210 26 26 GLN NE2 N 111.487 0.300 1 211 27 27 SER H H 7.085 0.030 1 212 27 27 SER HA H 4.163 0.030 1 213 27 27 SER HB2 H 3.975 0.030 2 214 27 27 SER HB3 H 4.046 0.030 2 215 27 27 SER C C 176.947 0.300 1 216 27 27 SER CA C 60.770 0.300 1 217 27 27 SER CB C 62.370 0.300 1 218 27 27 SER N N 113.602 0.300 1 219 28 28 LEU H H 7.065 0.030 1 220 28 28 LEU HA H 3.231 0.030 1 221 28 28 LEU HB2 H 1.946 0.030 2 222 28 28 LEU HB3 H 1.230 0.030 2 223 28 28 LEU HD1 H 0.972 0.030 1 224 28 28 LEU HD2 H 1.011 0.030 1 225 28 28 LEU HG H 1.489 0.030 1 226 28 28 LEU C C 177.321 0.300 1 227 28 28 LEU CA C 57.877 0.300 1 228 28 28 LEU CB C 40.130 0.300 1 229 28 28 LEU CD1 C 26.519 0.300 2 230 28 28 LEU CD2 C 22.771 0.300 2 231 28 28 LEU CG C 27.473 0.300 1 232 28 28 LEU N N 123.331 0.300 1 233 29 29 SER H H 8.114 0.030 1 234 29 29 SER HA H 4.223 0.030 1 235 29 29 SER HB2 H 3.920 0.030 1 236 29 29 SER HB3 H 3.920 0.030 1 237 29 29 SER C C 177.246 0.300 1 238 29 29 SER CA C 61.883 0.300 1 239 29 29 SER CB C 62.568 0.300 1 240 29 29 SER N N 115.146 0.300 1 241 30 30 VAL H H 7.636 0.030 1 242 30 30 VAL HA H 3.553 0.030 1 243 30 30 VAL HB H 1.950 0.030 1 244 30 30 VAL HG1 H 1.029 0.030 1 245 30 30 VAL HG2 H 0.915 0.030 1 246 30 30 VAL C C 178.788 0.300 1 247 30 30 VAL CA C 66.375 0.300 1 248 30 30 VAL CB C 32.167 0.300 1 249 30 30 VAL CG1 C 22.596 0.300 2 250 30 30 VAL CG2 C 21.152 0.300 2 251 30 30 VAL N N 120.146 0.300 1 252 31 31 HIS H H 7.470 0.030 1 253 31 31 HIS HA H 4.171 0.030 1 254 31 31 HIS HB2 H 3.091 0.030 2 255 31 31 HIS HB3 H 2.889 0.030 2 256 31 31 HIS HD2 H 6.899 0.030 1 257 31 31 HIS HE1 H 8.053 0.030 1 258 31 31 HIS C C 176.259 0.300 1 259 31 31 HIS CA C 59.366 0.300 1 260 31 31 HIS CB C 28.531 0.300 1 261 31 31 HIS CD2 C 127.162 0.300 1 262 31 31 HIS CE1 C 139.627 0.300 1 263 31 31 HIS N N 120.147 0.300 1 264 32 32 GLN H H 8.433 0.030 1 265 32 32 GLN HA H 3.662 0.030 1 266 32 32 GLN HB2 H 2.189 0.030 2 267 32 32 GLN HB3 H 2.339 0.030 2 268 32 32 GLN HE21 H 7.046 0.030 2 269 32 32 GLN HE22 H 7.592 0.030 2 270 32 32 GLN HG2 H 2.807 0.030 1 271 32 32 GLN HG3 H 2.807 0.030 1 272 32 32 GLN C C 177.663 0.300 1 273 32 32 GLN CA C 59.331 0.300 1 274 32 32 GLN CB C 28.343 0.300 1 275 32 32 GLN CG C 35.328 0.300 1 276 32 32 GLN N N 114.417 0.300 1 277 32 32 GLN NE2 N 112.305 0.300 1 278 33 33 ARG H H 7.218 0.030 1 279 33 33 ARG HA H 4.085 0.030 1 280 33 33 ARG HB2 H 1.800 0.030 2 281 33 33 ARG HB3 H 1.928 0.030 2 282 33 33 ARG HD2 H 3.209 0.030 1 283 33 33 ARG HD3 H 3.209 0.030 1 284 33 33 ARG HG2 H 1.706 0.030 2 285 33 33 ARG HG3 H 1.898 0.030 2 286 33 33 ARG C C 178.714 0.300 1 287 33 33 ARG CA C 58.611 0.300 1 288 33 33 ARG CB C 30.135 0.300 1 289 33 33 ARG CD C 43.758 0.300 1 290 33 33 ARG CG C 27.431 0.300 1 291 33 33 ARG N N 118.146 0.300 1 292 34 34 ILE H H 7.811 0.030 1 293 34 34 ILE HA H 3.988 0.030 1 294 34 34 ILE HB H 1.683 0.030 1 295 34 34 ILE HD1 H 0.695 0.030 1 296 34 34 ILE HG12 H 0.899 0.030 2 297 34 34 ILE HG13 H 0.657 0.030 2 298 34 34 ILE HG2 H 0.592 0.030 1 299 34 34 ILE C C 177.231 0.300 1 300 34 34 ILE CA C 63.133 0.300 1 301 34 34 ILE CB C 37.750 0.300 1 302 34 34 ILE CD1 C 14.524 0.300 1 303 34 34 ILE CG1 C 26.294 0.300 1 304 34 34 ILE CG2 C 16.334 0.300 1 305 34 34 ILE N N 115.758 0.300 1 306 35 35 HIS H H 7.151 0.030 1 307 35 35 HIS HA H 4.919 0.030 1 308 35 35 HIS HB2 H 3.398 0.030 2 309 35 35 HIS HB3 H 3.262 0.030 2 310 35 35 HIS HD2 H 6.735 0.030 1 311 35 35 HIS HE1 H 8.134 0.030 1 312 35 35 HIS C C 175.128 0.300 1 313 35 35 HIS CA C 54.417 0.300 1 314 35 35 HIS CB C 28.448 0.300 1 315 35 35 HIS CD2 C 127.765 0.300 1 316 35 35 HIS CE1 C 140.437 0.300 1 317 35 35 HIS N N 117.335 0.300 1 318 36 36 SER H H 7.753 0.030 1 319 36 36 SER HA H 4.567 0.030 1 320 36 36 SER HB2 H 3.922 0.030 1 321 36 36 SER HB3 H 3.922 0.030 1 322 36 36 SER CA C 58.337 0.300 1 323 36 36 SER CB C 63.842 0.300 1 324 36 36 SER N N 114.886 0.300 1 325 37 37 GLY HA2 H 3.979 0.030 1 326 37 37 GLY HA3 H 3.979 0.030 1 327 37 37 GLY C C 173.884 0.300 1 328 37 37 GLY CA C 45.345 0.300 1 329 38 38 LYS H H 8.095 0.030 1 330 38 38 LYS HA H 4.332 0.030 1 331 38 38 LYS HB2 H 1.718 0.030 2 332 38 38 LYS HB3 H 1.802 0.030 2 333 38 38 LYS HD2 H 1.666 0.030 1 334 38 38 LYS HD3 H 1.666 0.030 1 335 38 38 LYS HE2 H 2.992 0.030 2 336 38 38 LYS HG2 H 1.406 0.030 1 337 38 38 LYS HG3 H 1.406 0.030 1 338 38 38 LYS C C 176.395 0.300 1 339 38 38 LYS CA C 55.975 0.300 1 340 38 38 LYS CB C 33.189 0.300 1 341 38 38 LYS CD C 29.014 0.300 1 342 38 38 LYS CE C 42.202 0.300 1 343 38 38 LYS CG C 24.679 0.300 1 344 38 38 LYS N N 120.863 0.300 1 345 39 39 LYS H H 8.422 0.030 1 346 39 39 LYS HA H 4.599 0.030 1 347 39 39 LYS HB2 H 1.734 0.030 2 348 39 39 LYS HB3 H 1.825 0.030 2 349 39 39 LYS HD2 H 1.691 0.030 1 350 39 39 LYS HD3 H 1.691 0.030 1 351 39 39 LYS HE2 H 3.005 0.030 1 352 39 39 LYS HE3 H 3.005 0.030 1 353 39 39 LYS HG2 H 1.477 0.030 1 354 39 39 LYS HG3 H 1.477 0.030 1 355 39 39 LYS C C 174.655 0.300 1 356 39 39 LYS CA C 54.274 0.300 1 357 39 39 LYS CB C 32.513 0.300 1 358 39 39 LYS CD C 29.174 0.300 1 359 39 39 LYS CE C 42.202 0.300 1 360 39 39 LYS CG C 24.548 0.300 1 361 39 39 LYS N N 124.629 0.300 1 362 40 40 PRO HA H 4.458 0.030 1 363 40 40 PRO HB2 H 2.313 0.030 2 364 40 40 PRO HB3 H 1.952 0.030 2 365 40 40 PRO HD2 H 3.652 0.030 2 366 40 40 PRO HD3 H 3.838 0.030 2 367 40 40 PRO HG2 H 2.020 0.030 1 368 40 40 PRO HG3 H 2.020 0.030 1 369 40 40 PRO C C 176.893 0.300 1 370 40 40 PRO CA C 63.256 0.300 1 371 40 40 PRO CB C 32.181 0.300 1 372 40 40 PRO CD C 50.743 0.300 1 373 40 40 PRO CG C 27.455 0.300 1 374 41 41 SER H H 8.432 0.030 1 375 41 41 SER HA H 4.504 0.030 1 376 41 41 SER HB2 H 3.907 0.030 1 377 41 41 SER HB3 H 3.907 0.030 1 378 41 41 SER C C 174.603 0.300 1 379 41 41 SER CA C 58.373 0.300 1 380 41 41 SER CB C 64.035 0.300 1 381 41 41 SER N N 116.447 0.300 1 382 42 42 GLY HA2 H 4.139 0.030 1 383 42 42 GLY HA3 H 4.139 0.030 1 384 42 42 GLY CA C 44.668 0.300 1 385 43 43 PRO HA H 4.478 0.030 1 386 43 43 PRO HB2 H 2.298 0.030 2 387 43 43 PRO HB3 H 2.001 0.030 2 388 43 43 PRO HD2 H 3.631 0.030 1 389 43 43 PRO HD3 H 3.631 0.030 1 390 43 43 PRO HG2 H 2.022 0.030 1 391 43 43 PRO HG3 H 2.022 0.030 1 392 43 43 PRO CA C 63.320 0.300 1 393 43 43 PRO CB C 32.254 0.300 1 394 43 43 PRO CD C 49.798 0.300 1 395 43 43 PRO CG C 27.175 0.300 1 396 45 45 SER HA H 4.503 0.030 1 397 45 45 SER HB2 H 3.906 0.030 1 398 45 45 SER HB3 H 3.906 0.030 1 399 45 45 SER C C 173.908 0.300 1 400 45 45 SER CA C 58.386 0.300 1 401 45 45 SER CB C 63.916 0.300 1 402 46 46 GLY H H 8.040 0.030 1 403 46 46 GLY HA2 H 3.752 0.030 2 404 46 46 GLY HA3 H 3.801 0.030 2 405 46 46 GLY C C 178.993 0.300 1 406 46 46 GLY CA C 46.241 0.300 1 407 46 46 GLY N N 116.839 0.300 1 stop_ save_