data_10305 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 536-568) of human Zinc finger protein 347 ; _BMRB_accession_number 10305 _BMRB_flat_file_name bmr10305.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" 210 "13C chemical shifts" 162 "15N chemical shifts" 34 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 536-568) of human Zinc finger protein 347 ; _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 347' _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 ; GSSGSSGTGVKPYMCNECGK AFSVYSSLTTHQVIHTGEKP 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 VAL 11 LYS 12 PRO 13 TYR 14 MET 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 SER 24 VAL 25 TYR 26 SER 27 SER 28 LEU 29 THR 30 THR 31 HIS 32 GLN 33 VAL 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 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 2EMP "Solution Structure Of The C2h2 Type Zinc Finger (Region 536- 568) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 1.25e-22 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 domain' 15 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 18 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 31 HIS NE2 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 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 domain' 15 CYS HG 'zf-C2H2 domain' 18 CYS HG 'zf-C2H2 domain' 31 HIS HE2 'zf-C2H2 domain' 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 P070115-56 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 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 3.976 0.030 1 2 7 7 GLY HA3 H 3.976 0.030 1 3 7 7 GLY C C 174.465 0.300 1 4 7 7 GLY CA C 45.343 0.300 1 5 8 8 THR H H 8.100 0.030 1 6 8 8 THR HA H 4.306 0.030 1 7 8 8 THR HB H 4.220 0.030 1 8 8 8 THR HG2 H 1.139 0.030 1 9 8 8 THR C C 175.198 0.300 1 10 8 8 THR CA C 61.877 0.300 1 11 8 8 THR CB C 69.758 0.300 1 12 8 8 THR CG2 C 21.433 0.300 1 13 8 8 THR N N 112.918 0.300 1 14 9 9 GLY H H 8.416 0.030 1 15 9 9 GLY HA2 H 3.900 0.030 1 16 9 9 GLY HA3 H 3.900 0.030 1 17 9 9 GLY C C 173.879 0.300 1 18 9 9 GLY CA C 45.166 0.300 1 19 9 9 GLY N N 111.257 0.300 1 20 10 10 VAL H H 7.903 0.030 1 21 10 10 VAL HA H 3.969 0.030 1 22 10 10 VAL HB H 1.944 0.030 1 23 10 10 VAL HG1 H 0.835 0.030 1 24 10 10 VAL HG2 H 0.817 0.030 1 25 10 10 VAL C C 176.060 0.300 1 26 10 10 VAL CA C 62.406 0.300 1 27 10 10 VAL CB C 32.512 0.300 1 28 10 10 VAL CG1 C 20.441 0.300 2 29 10 10 VAL CG2 C 21.042 0.300 2 30 10 10 VAL N N 119.354 0.300 1 31 11 11 LYS H H 8.337 0.030 1 32 11 11 LYS HA H 4.457 0.030 1 33 11 11 LYS HB2 H 1.426 0.030 2 34 11 11 LYS HB3 H 1.526 0.030 2 35 11 11 LYS HD2 H 1.443 0.030 1 36 11 11 LYS HD3 H 1.443 0.030 1 37 11 11 LYS HE2 H 2.861 0.030 2 38 11 11 LYS HG2 H 1.287 0.030 2 39 11 11 LYS HG3 H 1.172 0.030 2 40 11 11 LYS C C 174.062 0.300 1 41 11 11 LYS CA C 53.799 0.300 1 42 11 11 LYS CB C 33.017 0.300 1 43 11 11 LYS CD C 29.420 0.300 1 44 11 11 LYS CE C 42.236 0.300 1 45 11 11 LYS CG C 24.849 0.300 1 46 11 11 LYS N N 126.011 0.300 1 47 12 12 PRO HA H 4.215 0.030 1 48 12 12 PRO HB2 H 1.960 0.030 2 49 12 12 PRO HB3 H 1.176 0.030 2 50 12 12 PRO HD2 H 3.664 0.030 2 51 12 12 PRO HD3 H 3.587 0.030 2 52 12 12 PRO HG2 H 1.529 0.030 2 53 12 12 PRO HG3 H 1.745 0.030 2 54 12 12 PRO C C 176.320 0.300 1 55 12 12 PRO CA C 63.306 0.300 1 56 12 12 PRO CB C 32.254 0.300 1 57 12 12 PRO CD C 50.466 0.300 1 58 12 12 PRO CG C 26.653 0.300 1 59 13 13 TYR H H 7.851 0.030 1 60 13 13 TYR HA H 4.739 0.030 1 61 13 13 TYR HB2 H 3.073 0.030 2 62 13 13 TYR HB3 H 2.852 0.030 2 63 13 13 TYR HD1 H 7.073 0.030 1 64 13 13 TYR HD2 H 7.073 0.030 1 65 13 13 TYR HE1 H 6.874 0.030 1 66 13 13 TYR HE2 H 6.874 0.030 1 67 13 13 TYR C C 174.557 0.300 1 68 13 13 TYR CA C 57.117 0.300 1 69 13 13 TYR CB C 38.770 0.300 1 70 13 13 TYR CD1 C 133.278 0.300 1 71 13 13 TYR CD2 C 133.278 0.300 1 72 13 13 TYR CE1 C 118.635 0.300 1 73 13 13 TYR CE2 C 118.635 0.300 1 74 13 13 TYR N N 117.800 0.300 1 75 14 14 MET H H 8.685 0.030 1 76 14 14 MET HA H 5.047 0.030 1 77 14 14 MET HB2 H 1.853 0.030 1 78 14 14 MET HB3 H 1.853 0.030 1 79 14 14 MET HE H 1.949 0.030 1 80 14 14 MET HG2 H 2.240 0.030 1 81 14 14 MET HG3 H 2.240 0.030 1 82 14 14 MET C C 174.754 0.300 1 83 14 14 MET CA C 54.198 0.300 1 84 14 14 MET CB C 35.048 0.300 1 85 14 14 MET CE C 16.594 0.300 1 86 14 14 MET CG C 31.408 0.300 1 87 14 14 MET N N 123.566 0.300 1 88 15 15 CYS H H 9.178 0.030 1 89 15 15 CYS HA H 4.514 0.030 1 90 15 15 CYS HB2 H 3.369 0.030 2 91 15 15 CYS HB3 H 2.800 0.030 2 92 15 15 CYS C C 176.846 0.300 1 93 15 15 CYS CA C 59.270 0.300 1 94 15 15 CYS CB C 29.401 0.300 1 95 15 15 CYS N N 126.280 0.300 1 96 16 16 ASN H H 9.344 0.030 1 97 16 16 ASN HA H 4.475 0.030 1 98 16 16 ASN HB2 H 2.828 0.030 1 99 16 16 ASN HB3 H 2.828 0.030 1 100 16 16 ASN HD21 H 7.654 0.030 2 101 16 16 ASN HD22 H 6.936 0.030 2 102 16 16 ASN C C 175.457 0.300 1 103 16 16 ASN CA C 55.561 0.300 1 104 16 16 ASN CB C 38.300 0.300 1 105 16 16 ASN N N 130.073 0.300 1 106 16 16 ASN ND2 N 113.177 0.300 1 107 17 17 GLU H H 8.544 0.030 1 108 17 17 GLU HA H 4.153 0.030 1 109 17 17 GLU HB2 H 1.241 0.030 1 110 17 17 GLU HB3 H 1.241 0.030 1 111 17 17 GLU HG2 H 1.832 0.030 2 112 17 17 GLU HG3 H 1.749 0.030 2 113 17 17 GLU C C 177.127 0.300 1 114 17 17 GLU CA C 58.295 0.300 1 115 17 17 GLU CB C 29.277 0.300 1 116 17 17 GLU CG C 35.651 0.300 1 117 17 17 GLU N N 120.324 0.300 1 118 18 18 CYS H H 7.767 0.030 1 119 18 18 CYS HA H 5.105 0.030 1 120 18 18 CYS HB2 H 3.373 0.030 2 121 18 18 CYS HB3 H 2.802 0.030 2 122 18 18 CYS C C 176.226 0.300 1 123 18 18 CYS CA C 58.248 0.300 1 124 18 18 CYS CB C 32.416 0.300 1 125 18 18 CYS N N 114.212 0.300 1 126 19 19 GLY H H 8.198 0.030 1 127 19 19 GLY HA2 H 4.140 0.030 2 128 19 19 GLY HA3 H 3.801 0.030 2 129 19 19 GLY C C 173.548 0.300 1 130 19 19 GLY CA C 46.219 0.300 1 131 19 19 GLY N N 113.692 0.300 1 132 20 20 LYS H H 7.821 0.030 1 133 20 20 LYS HA H 3.897 0.030 1 134 20 20 LYS HB2 H 1.363 0.030 2 135 20 20 LYS HB3 H 1.135 0.030 2 136 20 20 LYS HD2 H 1.426 0.030 2 137 20 20 LYS HD3 H 1.347 0.030 2 138 20 20 LYS HE2 H 2.900 0.030 2 139 20 20 LYS HE3 H 2.833 0.030 2 140 20 20 LYS HG2 H 0.971 0.030 2 141 20 20 LYS HG3 H 1.322 0.030 2 142 20 20 LYS C C 173.480 0.300 1 143 20 20 LYS CA C 57.953 0.300 1 144 20 20 LYS CB C 33.759 0.300 1 145 20 20 LYS CD C 29.213 0.300 1 146 20 20 LYS CE C 42.107 0.300 1 147 20 20 LYS CG C 26.132 0.300 1 148 20 20 LYS N N 122.506 0.300 1 149 21 21 ALA H H 7.727 0.030 1 150 21 21 ALA HA H 5.106 0.030 1 151 21 21 ALA HB H 1.145 0.030 1 152 21 21 ALA C C 176.410 0.300 1 153 21 21 ALA CA C 50.316 0.300 1 154 21 21 ALA CB C 22.410 0.300 1 155 21 21 ALA N N 124.115 0.300 1 156 22 22 PHE H H 8.771 0.030 1 157 22 22 PHE HA H 4.717 0.030 1 158 22 22 PHE HB2 H 2.613 0.030 2 159 22 22 PHE HB3 H 3.285 0.030 2 160 22 22 PHE HD1 H 7.140 0.030 1 161 22 22 PHE HD2 H 7.140 0.030 1 162 22 22 PHE HE1 H 6.783 0.030 1 163 22 22 PHE HE2 H 6.783 0.030 1 164 22 22 PHE HZ H 6.143 0.030 1 165 22 22 PHE C C 175.423 0.300 1 166 22 22 PHE CA C 57.244 0.300 1 167 22 22 PHE CB C 43.702 0.300 1 168 22 22 PHE CD1 C 132.390 0.300 1 169 22 22 PHE CD2 C 132.390 0.300 1 170 22 22 PHE CE1 C 130.618 0.300 1 171 22 22 PHE CE2 C 130.618 0.300 1 172 22 22 PHE CZ C 128.607 0.300 1 173 22 22 PHE N N 116.817 0.300 1 174 23 23 SER HA H 4.618 0.030 1 175 23 23 SER HB2 H 4.041 0.030 2 176 23 23 SER HB3 H 4.012 0.030 2 177 23 23 SER C C 173.792 0.300 1 178 23 23 SER CA C 60.506 0.300 1 179 23 23 SER CB C 64.106 0.300 1 180 24 24 VAL H H 7.424 0.030 1 181 24 24 VAL HA H 4.596 0.030 1 182 24 24 VAL HB H 2.145 0.030 1 183 24 24 VAL HG1 H 1.033 0.030 1 184 24 24 VAL HG2 H 0.954 0.030 1 185 24 24 VAL C C 176.231 0.300 1 186 24 24 VAL CA C 60.495 0.300 1 187 24 24 VAL CB C 34.900 0.300 1 188 24 24 VAL CG1 C 21.952 0.300 2 189 24 24 VAL CG2 C 20.472 0.300 2 190 24 24 VAL N N 117.067 0.300 1 191 25 25 TYR H H 8.818 0.030 1 192 25 25 TYR HA H 3.167 0.030 1 193 25 25 TYR HB2 H 2.601 0.030 2 194 25 25 TYR HB3 H 2.243 0.030 2 195 25 25 TYR HD1 H 6.647 0.030 1 196 25 25 TYR HD2 H 6.647 0.030 1 197 25 25 TYR HE1 H 6.667 0.030 1 198 25 25 TYR HE2 H 6.667 0.030 1 199 25 25 TYR C C 177.383 0.300 1 200 25 25 TYR CA C 62.032 0.300 1 201 25 25 TYR CB C 37.578 0.300 1 202 25 25 TYR CD1 C 132.657 0.300 1 203 25 25 TYR CD2 C 132.657 0.300 1 204 25 25 TYR CE1 C 118.194 0.300 1 205 25 25 TYR CE2 C 118.194 0.300 1 206 25 25 TYR N N 129.886 0.300 1 207 26 26 SER H H 8.463 0.030 1 208 26 26 SER HA H 4.033 0.030 1 209 26 26 SER HB2 H 3.827 0.030 2 210 26 26 SER HB3 H 3.788 0.030 2 211 26 26 SER C C 176.962 0.300 1 212 26 26 SER CA C 60.410 0.300 1 213 26 26 SER CB C 61.747 0.300 1 214 26 26 SER N N 112.255 0.300 1 215 27 27 SER H H 7.130 0.030 1 216 27 27 SER HA H 4.144 0.030 1 217 27 27 SER HB2 H 3.862 0.030 2 218 27 27 SER HB3 H 4.033 0.030 2 219 27 27 SER C C 175.829 0.300 1 220 27 27 SER CA C 61.124 0.300 1 221 27 27 SER CB C 62.412 0.300 1 222 27 27 SER N N 117.914 0.300 1 223 28 28 LEU H H 6.907 0.030 1 224 28 28 LEU HA H 3.053 0.030 1 225 28 28 LEU HB2 H 1.863 0.030 2 226 28 28 LEU HB3 H 0.967 0.030 2 227 28 28 LEU HD1 H 0.873 0.030 1 228 28 28 LEU HD2 H 0.877 0.030 1 229 28 28 LEU HG H 1.202 0.030 1 230 28 28 LEU C C 177.895 0.300 1 231 28 28 LEU CA C 57.828 0.300 1 232 28 28 LEU CB C 39.673 0.300 1 233 28 28 LEU CD1 C 26.318 0.300 2 234 28 28 LEU CD2 C 23.026 0.300 2 235 28 28 LEU CG C 27.444 0.300 1 236 28 28 LEU N N 124.365 0.300 1 237 29 29 THR H H 7.829 0.030 1 238 29 29 THR HA H 3.794 0.030 1 239 29 29 THR HB H 3.967 0.030 1 240 29 29 THR HG2 H 0.745 0.030 1 241 29 29 THR C C 177.984 0.300 1 242 29 29 THR CA C 65.770 0.300 1 243 29 29 THR CB C 67.758 0.300 1 244 29 29 THR CG2 C 21.900 0.300 1 245 29 29 THR N N 112.539 0.300 1 246 30 30 THR H H 7.643 0.030 1 247 30 30 THR HA H 3.869 0.030 1 248 30 30 THR HB H 3.985 0.030 1 249 30 30 THR HG2 H 1.141 0.030 1 250 30 30 THR C C 175.944 0.300 1 251 30 30 THR CA C 66.042 0.300 1 252 30 30 THR CB C 68.742 0.300 1 253 30 30 THR CG2 C 21.786 0.300 1 254 30 30 THR N N 117.552 0.300 1 255 31 31 HIS H H 7.265 0.030 1 256 31 31 HIS HA H 4.166 0.030 1 257 31 31 HIS HB2 H 3.145 0.030 2 258 31 31 HIS HB3 H 2.889 0.030 2 259 31 31 HIS HD2 H 6.848 0.030 1 260 31 31 HIS HE1 H 7.992 0.030 1 261 31 31 HIS C C 176.140 0.300 1 262 31 31 HIS CA C 59.026 0.300 1 263 31 31 HIS CB C 28.499 0.300 1 264 31 31 HIS CD2 C 127.047 0.300 1 265 31 31 HIS CE1 C 139.735 0.300 1 266 31 31 HIS N N 121.232 0.300 1 267 32 32 GLN H H 8.069 0.030 1 268 32 32 GLN HA H 3.542 0.030 1 269 32 32 GLN HB2 H 2.196 0.030 2 270 32 32 GLN HB3 H 2.128 0.030 2 271 32 32 GLN HE21 H 6.924 0.030 2 272 32 32 GLN HE22 H 7.561 0.030 2 273 32 32 GLN HG2 H 2.728 0.030 1 274 32 32 GLN HG3 H 2.728 0.030 1 275 32 32 GLN C C 177.054 0.300 1 276 32 32 GLN CA C 59.440 0.300 1 277 32 32 GLN CB C 28.364 0.300 1 278 32 32 GLN CG C 35.322 0.300 1 279 32 32 GLN N N 114.055 0.300 1 280 32 32 GLN NE2 N 112.130 0.300 1 281 33 33 VAL H H 6.868 0.030 1 282 33 33 VAL HA H 3.815 0.030 1 283 33 33 VAL HB H 2.035 0.030 1 284 33 33 VAL HG1 H 0.874 0.030 1 285 33 33 VAL HG2 H 0.957 0.030 1 286 33 33 VAL C C 178.197 0.300 1 287 33 33 VAL CA C 64.448 0.300 1 288 33 33 VAL CB C 31.624 0.300 1 289 33 33 VAL CG1 C 20.986 0.300 2 290 33 33 VAL CG2 C 21.186 0.300 2 291 33 33 VAL N N 117.028 0.300 1 292 34 34 ILE H H 7.605 0.030 1 293 34 34 ILE HA H 3.886 0.030 1 294 34 34 ILE HB H 1.600 0.030 1 295 34 34 ILE HD1 H 0.637 0.030 1 296 34 34 ILE HG12 H 0.838 0.030 2 297 34 34 ILE HG13 H 0.638 0.030 2 298 34 34 ILE HG2 H 0.478 0.030 1 299 34 34 ILE C C 177.091 0.300 1 300 34 34 ILE CA C 63.199 0.300 1 301 34 34 ILE CB C 37.588 0.300 1 302 34 34 ILE CD1 C 14.364 0.300 1 303 34 34 ILE CG1 C 26.561 0.300 1 304 34 34 ILE CG2 C 16.348 0.300 1 305 34 34 ILE N N 117.681 0.300 1 306 35 35 HIS H H 7.200 0.030 1 307 35 35 HIS HA H 4.839 0.030 1 308 35 35 HIS HB2 H 3.311 0.030 2 309 35 35 HIS HB3 H 3.145 0.030 2 310 35 35 HIS HD2 H 6.702 0.030 1 311 35 35 HIS HE1 H 8.009 0.030 1 312 35 35 HIS C C 175.772 0.300 1 313 35 35 HIS CA C 55.092 0.300 1 314 35 35 HIS CB C 28.491 0.300 1 315 35 35 HIS CD2 C 127.692 0.300 1 316 35 35 HIS CE1 C 140.030 0.300 1 317 35 35 HIS N N 117.259 0.300 1 318 36 36 THR H H 7.769 0.030 1 319 36 36 THR HA H 4.289 0.030 1 320 36 36 THR HB H 4.271 0.030 1 321 36 36 THR HG2 H 1.195 0.030 1 322 36 36 THR C C 175.498 0.300 1 323 36 36 THR CA C 62.715 0.300 1 324 36 36 THR CB C 69.937 0.300 1 325 36 36 THR CG2 C 21.518 0.300 1 326 36 36 THR N N 112.044 0.300 1 327 37 37 GLY H H 8.275 0.030 1 328 37 37 GLY HA2 H 3.933 0.030 1 329 37 37 GLY HA3 H 3.933 0.030 1 330 37 37 GLY C C 173.930 0.300 1 331 37 37 GLY CA C 45.222 0.300 1 332 37 37 GLY N N 110.785 0.300 1 333 38 38 GLU H H 8.064 0.030 1 334 38 38 GLU HA H 4.200 0.030 1 335 38 38 GLU HB2 H 1.941 0.030 2 336 38 38 GLU HB3 H 1.857 0.030 2 337 38 38 GLU HG2 H 2.216 0.030 2 338 38 38 GLU HG3 H 2.153 0.030 2 339 38 38 GLU C C 176.191 0.300 1 340 38 38 GLU CA C 56.298 0.300 1 341 38 38 GLU CB C 30.499 0.300 1 342 38 38 GLU CG C 36.182 0.300 1 343 38 38 GLU N N 120.378 0.300 1 344 39 39 LYS H H 8.382 0.030 1 345 39 39 LYS HA H 4.552 0.030 1 346 39 39 LYS HB2 H 1.672 0.030 2 347 39 39 LYS HB3 H 1.759 0.030 2 348 39 39 LYS HD2 H 1.627 0.030 1 349 39 39 LYS HD3 H 1.627 0.030 1 350 39 39 LYS HE2 H 2.941 0.030 1 351 39 39 LYS HE3 H 2.941 0.030 1 352 39 39 LYS HG2 H 1.409 0.030 1 353 39 39 LYS HG3 H 1.409 0.030 1 354 39 39 LYS C C 174.477 0.300 1 355 39 39 LYS CA C 54.038 0.300 1 356 39 39 LYS CB C 32.401 0.300 1 357 39 39 LYS CD C 29.078 0.300 1 358 39 39 LYS CE C 42.130 0.300 1 359 39 39 LYS CG C 24.426 0.300 1 360 39 39 LYS N N 123.819 0.300 1 361 40 40 PRO HA H 4.417 0.030 1 362 40 40 PRO HB2 H 2.258 0.030 2 363 40 40 PRO HB3 H 1.881 0.030 2 364 40 40 PRO HD2 H 3.588 0.030 2 365 40 40 PRO HD3 H 3.770 0.030 2 366 40 40 PRO HG2 H 1.963 0.030 1 367 40 40 PRO HG3 H 1.963 0.030 1 368 40 40 PRO C C 177.023 0.300 1 369 40 40 PRO CA C 63.158 0.300 1 370 40 40 PRO CB C 32.125 0.300 1 371 40 40 PRO CD C 50.637 0.300 1 372 40 40 PRO CG C 27.317 0.300 1 373 41 41 SER H H 8.480 0.030 1 374 41 41 SER HA H 4.435 0.030 1 375 41 41 SER HB2 H 3.837 0.030 1 376 41 41 SER HB3 H 3.837 0.030 1 377 41 41 SER C C 174.656 0.300 1 378 41 41 SER CA C 58.280 0.300 1 379 41 41 SER CB C 63.924 0.300 1 380 41 41 SER N N 116.637 0.300 1 381 42 42 GLY HA2 H 4.042 0.030 2 382 42 42 GLY HA3 H 4.110 0.030 2 383 42 42 GLY CA C 44.613 0.300 1 384 43 43 PRO HA H 4.417 0.030 1 385 43 43 PRO HB2 H 2.257 0.030 2 386 43 43 PRO HB3 H 1.918 0.030 2 387 43 43 PRO HD2 H 3.572 0.030 1 388 43 43 PRO HD3 H 3.572 0.030 1 389 43 43 PRO HG2 H 1.962 0.030 1 390 43 43 PRO HG3 H 1.962 0.030 1 391 43 43 PRO CA C 63.157 0.300 1 392 43 43 PRO CB C 32.173 0.300 1 393 43 43 PRO CD C 49.732 0.300 1 394 43 43 PRO CG C 27.110 0.300 1 395 45 45 SER HA H 4.449 0.030 1 396 45 45 SER HB2 H 3.832 0.030 1 397 45 45 SER HB3 H 3.832 0.030 1 398 45 45 SER C C 173.895 0.300 1 399 45 45 SER CA C 58.424 0.300 1 400 45 45 SER CB C 63.988 0.300 1 401 46 46 GLY H H 8.021 0.030 1 402 46 46 GLY HA2 H 3.695 0.030 2 403 46 46 GLY HA3 H 3.744 0.030 2 404 46 46 GLY C C 178.970 0.300 1 405 46 46 GLY CA C 46.148 0.300 1 406 46 46 GLY N N 116.848 0.300 1 stop_ save_