data_10234 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 648-680) of human Zinc finger protein 347 ; _BMRB_accession_number 10234 _BMRB_flat_file_name bmr10234.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" 209 "13C chemical shifts" 150 "15N chemical shifts" 33 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 648-680) 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 $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 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYKCNECGK VFTQNSHLARHRRVHTGGKP 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 LYS 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 VAL 22 PHE 23 THR 24 GLN 25 ASN 26 SER 27 HIS 28 LEU 29 ALA 30 ARG 31 HIS 32 ARG 33 ARG 34 VAL 35 HIS 36 THR 37 GLY 38 GLY 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 2YU8 "Solution Structure Of The C2h2 Type Zinc Finger (Region 648- 680) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 6.52e-23 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 15 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 18 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 31 HIS NE2 'ZINC ION' . . ZN single coordination zf-C2H2 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 15 CYS HG zf-C2H2 18 CYS HG zf-C2H2 31 HIS HE2 zf-C2H2 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 P070115-17 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 _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 4.033 0.030 1 2 7 7 GLY HA3 H 4.033 0.030 1 3 7 7 GLY C C 174.556 0.300 1 4 7 7 GLY CA C 45.402 0.300 1 5 8 8 THR H H 8.151 0.030 1 6 8 8 THR HA H 4.379 0.030 1 7 8 8 THR HB H 4.309 0.030 1 8 8 8 THR HG2 H 1.191 0.030 1 9 8 8 THR C C 175.289 0.300 1 10 8 8 THR CA C 61.888 0.300 1 11 8 8 THR CB C 69.800 0.300 1 12 8 8 THR CG2 C 21.481 0.300 1 13 8 8 THR N N 112.871 0.300 1 14 9 9 GLY H H 8.447 0.030 1 15 9 9 GLY HA2 H 3.947 0.030 1 16 9 9 GLY HA3 H 3.947 0.030 1 17 9 9 GLY C C 174.028 0.300 1 18 9 9 GLY CA C 45.270 0.300 1 19 9 9 GLY N N 111.093 0.300 1 20 10 10 GLU H H 8.230 0.030 1 21 10 10 GLU HA H 4.251 0.030 1 22 10 10 GLU HB2 H 2.012 0.030 2 23 10 10 GLU HB3 H 1.889 0.030 2 24 10 10 GLU HG2 H 2.273 0.030 2 25 10 10 GLU HG3 H 2.229 0.030 2 26 10 10 GLU C C 176.261 0.300 1 27 10 10 GLU CA C 56.565 0.300 1 28 10 10 GLU CB C 30.519 0.300 1 29 10 10 GLU CG C 36.282 0.300 1 30 10 10 GLU N N 120.586 0.300 1 31 11 11 LYS H H 8.317 0.030 1 32 11 11 LYS HA H 4.540 0.030 1 33 11 11 LYS HB2 H 1.627 0.030 1 34 11 11 LYS HB3 H 1.627 0.030 1 35 11 11 LYS HD2 H 1.586 0.030 1 36 11 11 LYS HD3 H 1.586 0.030 1 37 11 11 LYS HE2 H 2.924 0.030 1 38 11 11 LYS HE3 H 2.924 0.030 1 39 11 11 LYS HG2 H 1.348 0.030 2 40 11 11 LYS HG3 H 1.293 0.030 2 41 11 11 LYS C C 174.000 0.300 1 42 11 11 LYS CA C 53.865 0.300 1 43 11 11 LYS CB C 32.626 0.300 1 44 11 11 LYS CD C 29.318 0.300 1 45 11 11 LYS CE C 42.304 0.300 1 46 11 11 LYS CG C 24.646 0.300 1 47 11 11 LYS N N 122.992 0.300 1 48 12 12 PRO HA H 4.331 0.030 1 49 12 12 PRO HB2 H 1.482 0.030 2 50 12 12 PRO HB3 H 2.067 0.030 2 51 12 12 PRO HD2 H 3.651 0.030 2 52 12 12 PRO HD3 H 3.553 0.030 2 53 12 12 PRO HG2 H 1.723 0.030 2 54 12 12 PRO HG3 H 1.877 0.030 2 55 12 12 PRO C C 176.455 0.300 1 56 12 12 PRO CA C 62.991 0.300 1 57 12 12 PRO CB C 32.285 0.300 1 58 12 12 PRO CD C 50.226 0.300 1 59 12 12 PRO CG C 26.855 0.300 1 60 13 13 TYR H H 8.131 0.030 1 61 13 13 TYR HA H 4.607 0.030 1 62 13 13 TYR HB2 H 2.926 0.030 2 63 13 13 TYR HB3 H 2.880 0.030 2 64 13 13 TYR HD1 H 6.965 0.030 1 65 13 13 TYR HD2 H 6.965 0.030 1 66 13 13 TYR HE1 H 6.829 0.030 1 67 13 13 TYR HE2 H 6.829 0.030 1 68 13 13 TYR C C 174.080 0.300 1 69 13 13 TYR CA C 57.300 0.300 1 70 13 13 TYR CB C 38.140 0.300 1 71 13 13 TYR CD1 C 133.162 0.300 1 72 13 13 TYR CD2 C 133.162 0.300 1 73 13 13 TYR CE1 C 118.322 0.300 1 74 13 13 TYR CE2 C 118.322 0.300 1 75 13 13 TYR N N 119.838 0.300 1 76 14 14 LYS H H 8.387 0.030 1 77 14 14 LYS HA H 5.090 0.030 1 78 14 14 LYS HB2 H 1.503 0.030 2 79 14 14 LYS HB3 H 1.729 0.030 2 80 14 14 LYS HD2 H 1.569 0.030 1 81 14 14 LYS HD3 H 1.569 0.030 1 82 14 14 LYS HE2 H 2.917 0.030 1 83 14 14 LYS HE3 H 2.917 0.030 1 84 14 14 LYS HG2 H 1.150 0.030 2 85 14 14 LYS HG3 H 1.065 0.030 2 86 14 14 LYS C C 175.193 0.300 1 87 14 14 LYS CA C 54.801 0.300 1 88 14 14 LYS CB C 36.002 0.300 1 89 14 14 LYS CD C 29.639 0.300 1 90 14 14 LYS CE C 41.957 0.300 1 91 14 14 LYS CG C 24.409 0.300 1 92 14 14 LYS N N 124.729 0.300 1 93 15 15 CYS H H 9.365 0.030 1 94 15 15 CYS HA H 4.546 0.030 1 95 15 15 CYS HB2 H 3.403 0.030 2 96 15 15 CYS HB3 H 2.872 0.030 2 97 15 15 CYS C C 176.812 0.300 1 98 15 15 CYS CA C 59.571 0.300 1 99 15 15 CYS CB C 29.635 0.300 1 100 15 15 CYS N N 127.942 0.300 1 101 16 16 ASN HA H 4.528 0.030 1 102 16 16 ASN HB2 H 2.885 0.030 1 103 16 16 ASN HB3 H 2.885 0.030 1 104 16 16 ASN HD21 H 7.691 0.030 2 105 16 16 ASN HD22 H 7.008 0.030 2 106 16 16 ASN C C 175.388 0.300 1 107 16 16 ASN CA C 55.505 0.300 1 108 16 16 ASN CB C 38.303 0.300 1 109 16 16 ASN ND2 N 113.555 0.300 1 110 17 17 GLU H H 8.730 0.030 1 111 17 17 GLU HA H 4.205 0.030 1 112 17 17 GLU HB2 H 1.296 0.030 1 113 17 17 GLU HB3 H 1.296 0.030 1 114 17 17 GLU HG2 H 1.860 0.030 2 115 17 17 GLU HG3 H 1.931 0.030 2 116 17 17 GLU C C 177.141 0.300 1 117 17 17 GLU CA C 58.686 0.300 1 118 17 17 GLU CB C 29.296 0.300 1 119 17 17 GLU CG C 36.373 0.300 1 120 17 17 GLU N N 120.847 0.300 1 121 18 18 CYS H H 7.941 0.030 1 122 18 18 CYS HA H 5.174 0.030 1 123 18 18 CYS HB2 H 2.890 0.030 2 124 18 18 CYS HB3 H 3.442 0.030 2 125 18 18 CYS C C 176.186 0.300 1 126 18 18 CYS CA C 58.326 0.300 1 127 18 18 CYS CB C 32.423 0.300 1 128 18 18 CYS N N 114.765 0.300 1 129 19 19 GLY H H 8.207 0.030 1 130 19 19 GLY HA2 H 3.735 0.030 2 131 19 19 GLY HA3 H 4.246 0.030 2 132 19 19 GLY C C 173.563 0.300 1 133 19 19 GLY CA C 46.287 0.300 1 134 19 19 GLY N N 113.536 0.300 1 135 20 20 LYS H H 7.904 0.030 1 136 20 20 LYS HA H 3.984 0.030 1 137 20 20 LYS HB2 H 1.365 0.030 2 138 20 20 LYS HB3 H 1.208 0.030 2 139 20 20 LYS HD2 H 1.484 0.030 2 140 20 20 LYS HD3 H 1.438 0.030 2 141 20 20 LYS HE2 H 2.992 0.030 2 142 20 20 LYS HE3 H 2.919 0.030 2 143 20 20 LYS HG2 H 1.064 0.030 2 144 20 20 LYS HG3 H 1.474 0.030 2 145 20 20 LYS C C 174.306 0.300 1 146 20 20 LYS CA C 58.283 0.300 1 147 20 20 LYS CB C 33.875 0.300 1 148 20 20 LYS CD C 29.318 0.300 1 149 20 20 LYS CE C 42.298 0.300 1 150 20 20 LYS CG C 26.477 0.300 1 151 20 20 LYS N N 122.594 0.300 1 152 21 21 VAL H H 7.635 0.030 1 153 21 21 VAL HA H 4.756 0.030 1 154 21 21 VAL HB H 1.854 0.030 1 155 21 21 VAL HG1 H 0.837 0.030 1 156 21 21 VAL HG2 H 0.824 0.030 1 157 21 21 VAL C C 175.180 0.300 1 158 21 21 VAL CA C 60.394 0.300 1 159 21 21 VAL CB C 33.875 0.300 1 160 21 21 VAL CG1 C 21.962 0.300 2 161 21 21 VAL CG2 C 20.384 0.300 2 162 21 21 VAL N N 117.274 0.300 1 163 22 22 PHE H H 8.752 0.030 1 164 22 22 PHE HA H 4.895 0.030 1 165 22 22 PHE HB2 H 2.763 0.030 2 166 22 22 PHE HB3 H 3.518 0.030 2 167 22 22 PHE HD1 H 7.300 0.030 1 168 22 22 PHE HD2 H 7.300 0.030 1 169 22 22 PHE HE1 H 6.875 0.030 1 170 22 22 PHE HE2 H 6.875 0.030 1 171 22 22 PHE HZ H 6.181 0.030 1 172 22 22 PHE C C 175.688 0.300 1 173 22 22 PHE CA C 56.949 0.300 1 174 22 22 PHE CB C 43.525 0.300 1 175 22 22 PHE CD1 C 132.402 0.300 1 176 22 22 PHE CD2 C 132.402 0.300 1 177 22 22 PHE CE1 C 130.711 0.300 1 178 22 22 PHE CE2 C 130.711 0.300 1 179 22 22 PHE CZ C 128.841 0.300 1 180 22 22 PHE N N 121.527 0.300 1 181 23 23 THR H H 9.516 0.030 1 182 23 23 THR HA H 4.572 0.030 1 183 23 23 THR HB H 4.494 0.030 1 184 23 23 THR HG2 H 1.353 0.030 1 185 23 23 THR C C 174.880 0.300 1 186 23 23 THR CA C 63.272 0.300 1 187 23 23 THR CB C 69.636 0.300 1 188 23 23 THR CG2 C 22.382 0.300 1 189 23 23 THR N N 111.253 0.300 1 190 24 24 GLN H H 7.074 0.030 1 191 24 24 GLN HA H 4.531 0.030 1 192 24 24 GLN HB2 H 1.948 0.030 2 193 24 24 GLN HB3 H 0.984 0.030 2 194 24 24 GLN HE21 H 7.330 0.030 2 195 24 24 GLN HE22 H 6.831 0.030 2 196 24 24 GLN HG2 H 2.157 0.030 2 197 24 24 GLN HG3 H 2.054 0.030 2 198 24 24 GLN C C 175.849 0.300 1 199 24 24 GLN CA C 54.002 0.300 1 200 24 24 GLN CB C 32.066 0.300 1 201 24 24 GLN CG C 33.272 0.300 1 202 24 24 GLN N N 115.274 0.300 1 203 24 24 GLN NE2 N 111.894 0.300 1 204 25 25 ASN HA H 3.618 0.030 1 205 25 25 ASN HB2 H 2.453 0.030 2 206 25 25 ASN HB3 H 2.242 0.030 2 207 25 25 ASN HD21 H 7.389 0.030 2 208 25 25 ASN HD22 H 6.788 0.030 2 209 25 25 ASN CA C 56.193 0.300 1 210 25 25 ASN CB C 38.289 0.300 1 211 25 25 ASN N N 119.000 0.300 1 212 25 25 ASN ND2 N 112.679 0.300 1 213 26 26 SER HA H 4.045 0.030 1 214 26 26 SER HB2 H 3.850 0.030 1 215 26 26 SER HB3 H 3.850 0.030 1 216 26 26 SER C C 177.179 0.300 1 217 26 26 SER CA C 60.858 0.300 1 218 26 26 SER CB C 61.697 0.300 1 219 26 26 SER N N 116.000 0.300 1 220 27 27 HIS H H 6.761 0.030 1 221 27 27 HIS HA H 4.413 0.030 1 222 27 27 HIS HB2 H 3.312 0.030 2 223 27 27 HIS HB3 H 3.268 0.030 2 224 27 27 HIS HD2 H 6.952 0.030 1 225 27 27 HIS HE1 H 7.757 0.030 1 226 27 27 HIS C C 178.164 0.300 1 227 27 27 HIS CA C 57.067 0.300 1 228 27 27 HIS CB C 31.815 0.300 1 229 27 27 HIS CD2 C 116.793 0.300 1 230 27 27 HIS CE1 C 139.248 0.300 1 231 27 27 HIS N N 121.682 0.300 1 232 28 28 LEU H H 6.960 0.030 1 233 28 28 LEU HA H 3.190 0.030 1 234 28 28 LEU HB2 H 2.028 0.030 2 235 28 28 LEU HB3 H 1.224 0.030 2 236 28 28 LEU HD1 H 1.063 0.030 1 237 28 28 LEU HD2 H 1.011 0.030 1 238 28 28 LEU HG H 1.525 0.030 1 239 28 28 LEU C C 177.255 0.300 1 240 28 28 LEU CA C 57.687 0.300 1 241 28 28 LEU CB C 40.420 0.300 1 242 28 28 LEU CD1 C 26.755 0.300 2 243 28 28 LEU CD2 C 22.739 0.300 2 244 28 28 LEU CG C 27.438 0.300 1 245 28 28 LEU N N 122.330 0.300 1 246 29 29 ALA H H 8.293 0.030 1 247 29 29 ALA HA H 3.936 0.030 1 248 29 29 ALA HB H 1.380 0.030 1 249 29 29 ALA C C 180.550 0.300 1 250 29 29 ALA CA C 55.247 0.300 1 251 29 29 ALA CB C 17.769 0.300 1 252 29 29 ALA N N 121.027 0.300 1 253 30 30 ARG H H 7.470 0.030 1 254 30 30 ARG HA H 3.986 0.030 1 255 30 30 ARG HB2 H 1.856 0.030 1 256 30 30 ARG HB3 H 1.856 0.030 1 257 30 30 ARG HD2 H 3.187 0.030 1 258 30 30 ARG HD3 H 3.187 0.030 1 259 30 30 ARG HG2 H 1.732 0.030 2 260 30 30 ARG HG3 H 1.614 0.030 2 261 30 30 ARG C C 178.649 0.300 1 262 30 30 ARG CA C 58.817 0.300 1 263 30 30 ARG CB C 30.266 0.300 1 264 30 30 ARG CD C 43.440 0.300 1 265 30 30 ARG CG C 27.223 0.300 1 266 30 30 ARG N N 116.540 0.300 1 267 31 31 HIS H H 7.639 0.030 1 268 31 31 HIS HA H 4.238 0.030 1 269 31 31 HIS HB2 H 2.901 0.030 2 270 31 31 HIS HB3 H 3.130 0.030 2 271 31 31 HIS HD2 H 6.952 0.030 1 272 31 31 HIS HE1 H 8.061 0.030 1 273 31 31 HIS C C 176.034 0.300 1 274 31 31 HIS CA C 58.663 0.300 1 275 31 31 HIS CB C 28.646 0.300 1 276 31 31 HIS CD2 C 127.225 0.300 1 277 31 31 HIS CE1 C 139.852 0.300 1 278 31 31 HIS N N 119.387 0.300 1 279 32 32 ARG H H 8.158 0.030 1 280 32 32 ARG HA H 3.677 0.030 1 281 32 32 ARG HB2 H 2.016 0.030 2 282 32 32 ARG HB3 H 1.934 0.030 2 283 32 32 ARG HD2 H 3.382 0.030 2 284 32 32 ARG HD3 H 3.315 0.030 2 285 32 32 ARG HG2 H 2.067 0.030 1 286 32 32 ARG HG3 H 2.067 0.030 1 287 32 32 ARG C C 177.576 0.300 1 288 32 32 ARG CA C 59.884 0.300 1 289 32 32 ARG CB C 29.827 0.300 1 290 32 32 ARG CD C 43.549 0.300 1 291 32 32 ARG CG C 28.549 0.300 1 292 32 32 ARG N N 115.483 0.300 1 293 33 33 ARG H H 7.069 0.030 1 294 33 33 ARG HA H 4.130 0.030 1 295 33 33 ARG HB2 H 1.856 0.030 2 296 33 33 ARG HB3 H 1.792 0.030 2 297 33 33 ARG HD2 H 3.189 0.030 1 298 33 33 ARG HD3 H 3.189 0.030 1 299 33 33 ARG HG2 H 1.672 0.030 2 300 33 33 ARG HG3 H 1.752 0.030 2 301 33 33 ARG C C 178.283 0.300 1 302 33 33 ARG CA C 58.201 0.300 1 303 33 33 ARG CB C 29.938 0.300 1 304 33 33 ARG CD C 43.438 0.300 1 305 33 33 ARG CG C 27.242 0.300 1 306 33 33 ARG N N 116.839 0.300 1 307 34 34 VAL H H 7.920 0.030 1 308 34 34 VAL HA H 3.904 0.030 1 309 34 34 VAL HB H 1.896 0.030 1 310 34 34 VAL HG1 H 0.629 0.030 1 311 34 34 VAL HG2 H 0.462 0.030 1 312 34 34 VAL C C 177.122 0.300 1 313 34 34 VAL CA C 63.913 0.300 1 314 34 34 VAL CB C 31.126 0.300 1 315 34 34 VAL CG1 C 19.806 0.300 2 316 34 34 VAL CG2 C 19.448 0.300 2 317 34 34 VAL N N 116.036 0.300 1 318 35 35 HIS H H 7.284 0.030 1 319 35 35 HIS HA H 4.899 0.030 1 320 35 35 HIS HB2 H 3.153 0.030 2 321 35 35 HIS HB3 H 3.380 0.030 2 322 35 35 HIS HD2 H 6.701 0.030 1 323 35 35 HIS HE1 H 8.047 0.030 1 324 35 35 HIS C C 175.530 0.300 1 325 35 35 HIS CA C 54.910 0.300 1 326 35 35 HIS CB C 28.775 0.300 1 327 35 35 HIS CD2 C 127.698 0.300 1 328 35 35 HIS CE1 C 139.992 0.300 1 329 35 35 HIS N N 117.360 0.300 1 330 36 36 THR H H 7.787 0.030 1 331 36 36 THR HA H 4.408 0.030 1 332 36 36 THR HB H 4.358 0.030 1 333 36 36 THR HG2 H 1.216 0.030 1 334 36 36 THR C C 175.489 0.300 1 335 36 36 THR CA C 62.176 0.300 1 336 36 36 THR CB C 69.788 0.300 1 337 36 36 THR CG2 C 21.481 0.300 1 338 36 36 THR N N 111.920 0.300 1 339 37 37 GLY H H 8.364 0.030 1 340 37 37 GLY HA2 H 3.990 0.030 1 341 37 37 GLY HA3 H 3.990 0.030 1 342 37 37 GLY C C 174.709 0.300 1 343 37 37 GLY CA C 45.510 0.300 1 344 37 37 GLY N N 111.087 0.300 1 345 38 38 GLY H H 8.279 0.030 1 346 38 38 GLY HA2 H 3.940 0.030 1 347 38 38 GLY HA3 H 3.940 0.030 1 348 38 38 GLY C C 173.722 0.300 1 349 38 38 GLY CA C 45.104 0.300 1 350 38 38 GLY N N 108.489 0.300 1 351 39 39 LYS H H 8.134 0.030 1 352 39 39 LYS HA H 4.631 0.030 1 353 39 39 LYS HB2 H 1.827 0.030 2 354 39 39 LYS HB3 H 1.730 0.030 2 355 39 39 LYS HD2 H 1.690 0.030 1 356 39 39 LYS HD3 H 1.690 0.030 1 357 39 39 LYS HE2 H 3.002 0.030 1 358 39 39 LYS HE3 H 3.002 0.030 1 359 39 39 LYS HG2 H 1.448 0.030 1 360 39 39 LYS HG3 H 1.448 0.030 1 361 39 39 LYS C C 174.669 0.300 1 362 39 39 LYS CA C 54.141 0.300 1 363 39 39 LYS CB C 32.551 0.300 1 364 39 39 LYS CD C 29.061 0.300 1 365 39 39 LYS CE C 42.219 0.300 1 366 39 39 LYS CG C 24.533 0.300 1 367 39 39 LYS N N 121.858 0.300 1 368 40 40 PRO HA H 4.469 0.030 1 369 40 40 PRO HB2 H 2.304 0.030 2 370 40 40 PRO HB3 H 1.958 0.030 2 371 40 40 PRO HD2 H 3.841 0.030 2 372 40 40 PRO HD3 H 3.666 0.030 2 373 40 40 PRO HG2 H 2.013 0.030 1 374 40 40 PRO HG3 H 2.013 0.030 1 375 40 40 PRO CA C 63.236 0.300 1 376 40 40 PRO CB C 32.213 0.300 1 377 40 40 PRO CD C 50.678 0.300 1 378 40 40 PRO CG C 27.438 0.300 1 379 42 42 GLY HA2 H 4.162 0.030 2 380 42 42 GLY HA3 H 4.111 0.030 2 381 42 42 GLY CA C 44.661 0.300 1 382 43 43 PRO HA H 4.476 0.030 1 383 43 43 PRO HB2 H 2.307 0.030 1 384 43 43 PRO HB3 H 2.307 0.030 1 385 43 43 PRO HD2 H 3.629 0.030 1 386 43 43 PRO HD3 H 3.629 0.030 1 387 43 43 PRO HG2 H 2.014 0.030 1 388 43 43 PRO HG3 H 2.014 0.030 1 389 43 43 PRO CA C 63.406 0.300 1 390 43 43 PRO CB C 32.308 0.300 1 391 43 43 PRO CD C 49.794 0.300 1 392 43 43 PRO CG C 27.187 0.300 1 stop_ save_