data_10206 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 780-812) of human Zinc finger protein 28 homolog ; _BMRB_accession_number 10206 _BMRB_flat_file_name bmr10206.str _Entry_type original _Submission_date 2008-03-18 _Accession_date 2008-03-18 _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" 213 "13C chemical shifts" 151 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-18 original author . stop_ _Original_release_date 2009-03-18 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 780-812) 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 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 ; GSSGSSGSGKKPYECKECRK TFIQIGHLNQHKRVHTGERS SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLY 10 LYS 11 LYS 12 PRO 13 TYR 14 GLU 15 CYS 16 LYS 17 GLU 18 CYS 19 ARG 20 LYS 21 THR 22 PHE 23 ILE 24 GLN 25 ILE 26 GLY 27 HIS 28 LEU 29 ASN 30 GLN 31 HIS 32 LYS 33 ARG 34 VAL 35 HIS 36 THR 37 GLY 38 GLU 39 ARG 40 SER 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2EOH "Solution Structure Of The C2h2 Type Zinc Finger (Region 780- 812) Of Human Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 6.44e-23 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 . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P061225-10 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 refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 9 9 GLY CA C 45.463 0.300 1 2 9 9 GLY HA2 H 4.008 0.030 2 3 9 9 GLY HA3 H 3.922 0.030 2 4 9 9 GLY C C 173.883 0.300 1 5 10 10 LYS N N 120.890 0.300 1 6 10 10 LYS H H 8.081 0.030 1 7 10 10 LYS CA C 56.099 0.300 1 8 10 10 LYS HA H 4.257 0.030 1 9 10 10 LYS CB C 33.091 0.300 1 10 10 10 LYS HB2 H 1.752 0.030 2 11 10 10 LYS HB3 H 1.681 0.030 2 12 10 10 LYS CG C 24.673 0.300 1 13 10 10 LYS HG2 H 1.365 0.030 1 14 10 10 LYS HG3 H 1.365 0.030 1 15 10 10 LYS CD C 29.099 0.300 1 16 10 10 LYS HD2 H 1.648 0.030 1 17 10 10 LYS HD3 H 1.648 0.030 1 18 10 10 LYS CE C 42.159 0.300 1 19 10 10 LYS HE2 H 2.933 0.030 2 20 10 10 LYS HE3 H 2.960 0.030 2 21 10 10 LYS C C 176.341 0.300 1 22 11 11 LYS N N 124.299 0.300 1 23 11 11 LYS H H 8.318 0.030 1 24 11 11 LYS CA C 54.092 0.300 1 25 11 11 LYS HA H 4.516 0.030 1 26 11 11 LYS CB C 32.429 0.300 1 27 11 11 LYS HB2 H 1.658 0.030 2 28 11 11 LYS HB3 H 1.610 0.030 2 29 11 11 LYS CG C 24.760 0.300 1 30 11 11 LYS HG2 H 1.324 0.030 2 31 11 11 LYS HG3 H 1.412 0.030 2 32 11 11 LYS CD C 29.239 0.300 1 33 11 11 LYS HD2 H 1.582 0.030 1 34 11 11 LYS HD3 H 1.582 0.030 1 35 11 11 LYS CE C 42.277 0.300 1 36 11 11 LYS HE2 H 2.934 0.030 1 37 11 11 LYS HE3 H 2.934 0.030 1 38 11 11 LYS C C 174.559 0.300 1 39 12 12 PRO CA C 63.174 0.300 1 40 12 12 PRO HA H 4.307 0.030 1 41 12 12 PRO CB C 32.305 0.300 1 42 12 12 PRO HB2 H 1.518 0.030 2 43 12 12 PRO HB3 H 2.043 0.030 2 44 12 12 PRO CG C 27.006 0.300 1 45 12 12 PRO HG2 H 1.878 0.030 2 46 12 12 PRO HG3 H 1.787 0.030 2 47 12 12 PRO CD C 50.471 0.300 1 48 12 12 PRO HD2 H 3.610 0.030 2 49 12 12 PRO HD3 H 3.706 0.030 2 50 12 12 PRO C C 176.285 0.300 1 51 13 13 TYR N N 118.529 0.300 1 52 13 13 TYR H H 8.139 0.030 1 53 13 13 TYR CA C 57.904 0.300 1 54 13 13 TYR HA H 4.593 0.030 1 55 13 13 TYR CB C 39.336 0.300 1 56 13 13 TYR HB2 H 2.844 0.030 2 57 13 13 TYR HB3 H 3.048 0.030 2 58 13 13 TYR CD1 C 133.050 0.300 1 59 13 13 TYR HD1 H 7.019 0.030 1 60 13 13 TYR CD2 C 133.050 0.300 1 61 13 13 TYR HD2 H 7.019 0.030 1 62 13 13 TYR CE1 C 118.445 0.300 1 63 13 13 TYR HE1 H 6.858 0.030 1 64 13 13 TYR CE2 C 118.445 0.300 1 65 13 13 TYR HE2 H 6.858 0.030 1 66 13 13 TYR C C 174.790 0.300 1 67 14 14 GLU N N 123.238 0.300 1 68 14 14 GLU H H 8.698 0.030 1 69 14 14 GLU CA C 54.739 0.300 1 70 14 14 GLU HA H 4.934 0.030 1 71 14 14 GLU CB C 33.864 0.300 1 72 14 14 GLU HB2 H 1.913 0.030 2 73 14 14 GLU HB3 H 1.774 0.030 2 74 14 14 GLU CG C 36.319 0.300 1 75 14 14 GLU HG2 H 1.904 0.030 1 76 14 14 GLU HG3 H 1.904 0.030 1 77 14 14 GLU C C 175.146 0.300 1 78 15 15 CYS N N 126.999 0.300 1 79 15 15 CYS H H 9.003 0.030 1 80 15 15 CYS CA C 59.138 0.300 1 81 15 15 CYS HA H 4.566 0.030 1 82 15 15 CYS CB C 29.682 0.300 1 83 15 15 CYS HB2 H 2.848 0.030 2 84 15 15 CYS HB3 H 3.329 0.030 2 85 15 15 CYS C C 176.861 0.300 1 86 16 16 LYS CA C 58.521 0.300 1 87 16 16 LYS HA H 4.134 0.030 1 88 16 16 LYS CB C 32.265 0.300 1 89 16 16 LYS HB2 H 1.913 0.030 1 90 16 16 LYS HB3 H 1.913 0.030 1 91 16 16 LYS CG C 25.028 0.300 1 92 16 16 LYS HG2 H 1.569 0.030 2 93 16 16 LYS HG3 H 1.521 0.030 2 94 16 16 LYS CD C 28.976 0.300 1 95 16 16 LYS HD2 H 1.690 0.030 1 96 16 16 LYS HD3 H 1.690 0.030 1 97 16 16 LYS CE C 42.167 0.300 1 98 16 16 LYS HE2 H 3.031 0.030 1 99 16 16 LYS HE3 H 3.031 0.030 1 100 16 16 LYS C C 176.983 0.300 1 101 17 17 GLU N N 119.122 0.300 1 102 17 17 GLU H H 8.546 0.030 1 103 17 17 GLU CA C 58.320 0.300 1 104 17 17 GLU HA H 4.177 0.030 1 105 17 17 GLU CB C 29.439 0.300 1 106 17 17 GLU HB2 H 1.382 0.030 2 107 17 17 GLU HB3 H 1.234 0.030 2 108 17 17 GLU CG C 36.092 0.300 1 109 17 17 GLU HG2 H 1.881 0.030 1 110 17 17 GLU HG3 H 1.881 0.030 1 111 17 17 GLU C C 177.215 0.300 1 112 18 18 CYS N N 115.644 0.300 1 113 18 18 CYS H H 7.939 0.030 1 114 18 18 CYS CA C 58.632 0.300 1 115 18 18 CYS HA H 5.062 0.030 1 116 18 18 CYS CB C 31.808 0.300 1 117 18 18 CYS HB2 H 2.910 0.030 2 118 18 18 CYS HB3 H 3.373 0.030 2 119 18 18 CYS C C 175.151 0.300 1 120 19 19 ARG N N 116.788 0.300 1 121 19 19 ARG H H 8.171 0.030 1 122 19 19 ARG CA C 57.860 0.300 1 123 19 19 ARG HA H 4.148 0.030 1 124 19 19 ARG CB C 26.487 0.300 1 125 19 19 ARG HB2 H 2.048 0.030 2 126 19 19 ARG HB3 H 2.153 0.030 2 127 19 19 ARG CG C 27.245 0.300 1 128 19 19 ARG HG2 H 1.575 0.030 2 129 19 19 ARG HG3 H 1.451 0.030 2 130 19 19 ARG CD C 42.767 0.300 1 131 19 19 ARG HD2 H 3.100 0.030 2 132 19 19 ARG HD3 H 3.174 0.030 2 133 19 19 ARG C C 175.492 0.300 1 134 20 20 LYS N N 121.616 0.300 1 135 20 20 LYS H H 7.920 0.030 1 136 20 20 LYS CA C 58.019 0.300 1 137 20 20 LYS HA H 4.152 0.030 1 138 20 20 LYS CB C 34.130 0.300 1 139 20 20 LYS HB2 H 1.396 0.030 2 140 20 20 LYS HB3 H 1.274 0.030 2 141 20 20 LYS CG C 26.470 0.300 1 142 20 20 LYS HG2 H 1.167 0.030 2 143 20 20 LYS HG3 H 1.530 0.030 2 144 20 20 LYS CD C 29.307 0.300 1 145 20 20 LYS HD2 H 1.470 0.030 2 146 20 20 LYS HD3 H 1.507 0.030 2 147 20 20 LYS CE C 42.112 0.300 1 148 20 20 LYS HE2 H 3.004 0.030 2 149 20 20 LYS HE3 H 2.944 0.030 2 150 20 20 LYS C C 175.066 0.300 1 151 21 21 THR N N 110.534 0.300 1 152 21 21 THR H H 7.580 0.030 1 153 21 21 THR CA C 59.360 0.300 1 154 21 21 THR HA H 5.208 0.030 1 155 21 21 THR CB C 71.608 0.300 1 156 21 21 THR HB H 3.983 0.030 1 157 21 21 THR CG2 C 21.881 0.300 1 158 21 21 THR HG2 H 1.069 0.030 1 159 21 21 THR C C 173.627 0.300 1 160 22 22 PHE N N 116.966 0.300 1 161 22 22 PHE H H 8.725 0.030 1 162 22 22 PHE CA C 57.114 0.300 1 163 22 22 PHE HA H 4.819 0.030 1 164 22 22 PHE CB C 44.195 0.300 1 165 22 22 PHE HB2 H 2.553 0.030 2 166 22 22 PHE HB3 H 3.439 0.030 2 167 22 22 PHE CD1 C 132.286 0.300 1 168 22 22 PHE HD1 H 7.156 0.030 1 169 22 22 PHE CD2 C 132.286 0.300 1 170 22 22 PHE HD2 H 7.156 0.030 1 171 22 22 PHE CE1 C 130.562 0.300 1 172 22 22 PHE HE1 H 6.829 0.030 1 173 22 22 PHE CE2 C 130.562 0.300 1 174 22 22 PHE HE2 H 6.829 0.030 1 175 22 22 PHE CZ C 128.690 0.300 1 176 22 22 PHE HZ H 6.064 0.030 1 177 22 22 PHE C C 175.176 0.300 1 178 23 23 ILE N N 119.763 0.300 1 179 23 23 ILE H H 9.199 0.030 1 180 23 23 ILE CA C 62.706 0.300 1 181 23 23 ILE HA H 4.309 0.030 1 182 23 23 ILE CB C 38.932 0.300 1 183 23 23 ILE HB H 2.050 0.030 1 184 23 23 ILE CG1 C 28.283 0.300 1 185 23 23 ILE HG12 H 1.402 0.030 2 186 23 23 ILE HG13 H 1.604 0.030 2 187 23 23 ILE CG2 C 18.106 0.300 1 188 23 23 ILE HG2 H 1.046 0.030 1 189 23 23 ILE CD1 C 13.117 0.300 1 190 23 23 ILE HD1 H 0.938 0.030 1 191 23 23 ILE C C 176.059 0.300 1 192 24 24 GLN N N 115.642 0.300 1 193 24 24 GLN H H 7.544 0.030 1 194 24 24 GLN CA C 53.942 0.300 1 195 24 24 GLN HA H 4.801 0.030 1 196 24 24 GLN CB C 30.876 0.300 1 197 24 24 GLN HB2 H 1.193 0.030 2 198 24 24 GLN HB3 H 2.000 0.030 2 199 24 24 GLN CG C 33.657 0.300 1 200 24 24 GLN HG2 H 2.157 0.030 2 201 24 24 GLN HG3 H 2.254 0.030 2 202 24 24 GLN NE2 N 111.751 0.300 1 203 24 24 GLN HE21 H 7.450 0.030 2 204 24 24 GLN HE22 H 6.874 0.030 2 205 24 24 GLN C C 177.011 0.300 1 206 25 25 ILE N N 126.235 0.300 1 207 25 25 ILE H H 8.690 0.030 1 208 25 25 ILE CA C 63.136 0.300 1 209 25 25 ILE HA H 3.186 0.030 1 210 25 25 ILE CB C 37.472 0.300 1 211 25 25 ILE HB H 1.153 0.030 1 212 25 25 ILE CG1 C 29.187 0.300 1 213 25 25 ILE HG12 H 0.998 0.030 2 214 25 25 ILE HG13 H 0.934 0.030 2 215 25 25 ILE CG2 C 17.069 0.300 1 216 25 25 ILE HG2 H 0.767 0.030 1 217 25 25 ILE CD1 C 13.592 0.300 1 218 25 25 ILE HD1 H 0.659 0.030 1 219 25 25 ILE C C 176.863 0.300 1 220 26 26 GLY N N 109.568 0.300 1 221 26 26 GLY H H 8.595 0.030 1 222 26 26 GLY CA C 46.804 0.300 1 223 26 26 GLY HA2 H 3.837 0.030 2 224 26 26 GLY HA3 H 3.780 0.030 2 225 26 26 GLY C C 176.792 0.300 1 226 27 27 HIS N N 119.048 0.300 1 227 27 27 HIS H H 6.921 0.030 1 228 27 27 HIS CA C 57.080 0.300 1 229 27 27 HIS HA H 4.482 0.030 1 230 27 27 HIS CB C 31.775 0.300 1 231 27 27 HIS HB2 H 3.436 0.030 2 232 27 27 HIS HB3 H 3.313 0.030 2 233 27 27 HIS CD2 C 116.396 0.300 1 234 27 27 HIS HD2 H 6.939 0.030 1 235 27 27 HIS CE1 C 140.007 0.300 1 236 27 27 HIS HE1 H 8.143 0.030 1 237 27 27 HIS C C 178.571 0.300 1 238 28 28 LEU N N 122.327 0.300 1 239 28 28 LEU H H 6.954 0.030 1 240 28 28 LEU CA C 57.735 0.300 1 241 28 28 LEU HA H 3.018 0.030 1 242 28 28 LEU CB C 40.149 0.300 1 243 28 28 LEU HB2 H 1.928 0.030 2 244 28 28 LEU HB3 H 1.081 0.030 2 245 28 28 LEU CG C 27.624 0.300 1 246 28 28 LEU HG H 1.447 0.030 1 247 28 28 LEU CD1 C 22.834 0.300 2 248 28 28 LEU HD1 H 0.931 0.030 1 249 28 28 LEU CD2 C 26.443 0.300 2 250 28 28 LEU HD2 H 0.947 0.030 1 251 28 28 LEU C C 177.665 0.300 1 252 29 29 ASN N N 117.755 0.300 1 253 29 29 ASN H H 8.452 0.030 1 254 29 29 ASN CA C 56.110 0.300 1 255 29 29 ASN HA H 4.287 0.030 1 256 29 29 ASN CB C 37.160 0.300 1 257 29 29 ASN HB2 H 2.749 0.030 1 258 29 29 ASN HB3 H 2.749 0.030 1 259 29 29 ASN ND2 N 110.433 0.300 1 260 29 29 ASN HD21 H 7.503 0.030 2 261 29 29 ASN HD22 H 6.729 0.030 2 262 29 29 ASN C C 178.326 0.300 1 263 30 30 GLN N N 118.797 0.300 1 264 30 30 GLN H H 7.759 0.030 1 265 30 30 GLN CA C 58.546 0.300 1 266 30 30 GLN HA H 4.030 0.030 1 267 30 30 GLN CB C 28.693 0.300 1 268 30 30 GLN HB2 H 2.076 0.030 1 269 30 30 GLN HB3 H 2.076 0.030 1 270 30 30 GLN CG C 33.705 0.300 1 271 30 30 GLN HG2 H 2.457 0.030 2 272 30 30 GLN HG3 H 2.403 0.030 2 273 30 30 GLN NE2 N 111.972 0.300 1 274 30 30 GLN HE21 H 6.840 0.030 2 275 30 30 GLN HE22 H 7.427 0.030 2 276 30 30 GLN C C 178.121 0.300 1 277 31 31 HIS N N 119.702 0.300 1 278 31 31 HIS H H 7.664 0.030 1 279 31 31 HIS CA C 58.885 0.300 1 280 31 31 HIS HA H 4.215 0.030 1 281 31 31 HIS CB C 28.494 0.300 1 282 31 31 HIS HB2 H 2.895 0.030 2 283 31 31 HIS HB3 H 3.128 0.030 2 284 31 31 HIS CD2 C 127.137 0.300 1 285 31 31 HIS HD2 H 6.893 0.030 1 286 31 31 HIS CE1 C 139.722 0.300 1 287 31 31 HIS HE1 H 8.034 0.030 1 288 31 31 HIS C C 176.042 0.300 1 289 32 32 LYS N N 115.824 0.300 1 290 32 32 LYS H H 8.088 0.030 1 291 32 32 LYS CA C 60.123 0.300 1 292 32 32 LYS HA H 3.698 0.030 1 293 32 32 LYS CB C 32.401 0.300 1 294 32 32 LYS HB2 H 1.950 0.030 1 295 32 32 LYS HB3 H 1.950 0.030 1 296 32 32 LYS CG C 25.609 0.300 1 297 32 32 LYS HG2 H 1.786 0.030 2 298 32 32 LYS HG3 H 1.750 0.030 2 299 32 32 LYS CD C 29.835 0.300 1 300 32 32 LYS HD2 H 1.787 0.030 1 301 32 32 LYS HD3 H 1.787 0.030 1 302 32 32 LYS CE C 42.034 0.300 1 303 32 32 LYS HE2 H 3.092 0.030 2 304 32 32 LYS HE3 H 3.016 0.030 2 305 32 32 LYS C C 177.823 0.300 1 306 33 33 ARG N N 116.801 0.300 1 307 33 33 ARG H H 7.063 0.030 1 308 33 33 ARG CA C 58.202 0.300 1 309 33 33 ARG HA H 4.133 0.030 1 310 33 33 ARG CB C 29.942 0.300 1 311 33 33 ARG HB2 H 1.872 0.030 2 312 33 33 ARG HB3 H 1.782 0.030 2 313 33 33 ARG CG C 27.319 0.300 1 314 33 33 ARG HG2 H 1.725 0.030 2 315 33 33 ARG HG3 H 1.652 0.030 2 316 33 33 ARG CD C 43.385 0.300 1 317 33 33 ARG HD2 H 3.185 0.030 2 318 33 33 ARG C C 178.364 0.300 1 319 34 34 VAL N N 116.485 0.300 1 320 34 34 VAL H H 7.933 0.030 1 321 34 34 VAL CA C 63.948 0.300 1 322 34 34 VAL HA H 3.873 0.030 1 323 34 34 VAL CB C 31.153 0.300 1 324 34 34 VAL HB H 1.861 0.030 1 325 34 34 VAL CG1 C 19.945 0.300 2 326 34 34 VAL HG1 H 0.612 0.030 1 327 34 34 VAL CG2 C 19.714 0.300 2 328 34 34 VAL HG2 H 0.466 0.030 1 329 34 34 VAL C C 177.213 0.300 1 330 35 35 HIS N N 117.143 0.300 1 331 35 35 HIS H H 7.182 0.030 1 332 35 35 HIS CA C 55.134 0.300 1 333 35 35 HIS HA H 4.836 0.030 1 334 35 35 HIS CB C 28.697 0.300 1 335 35 35 HIS HB2 H 3.150 0.030 2 336 35 35 HIS HB3 H 3.355 0.030 2 337 35 35 HIS CD2 C 127.365 0.300 1 338 35 35 HIS HD2 H 6.642 0.030 1 339 35 35 HIS CE1 C 138.972 0.300 1 340 35 35 HIS HE1 H 7.777 0.030 1 341 35 35 HIS C C 175.649 0.300 1 342 36 36 THR N N 112.212 0.300 1 343 36 36 THR H H 7.779 0.030 1 344 36 36 THR CA C 62.601 0.300 1 345 36 36 THR HA H 4.335 0.030 1 346 36 36 THR CB C 69.772 0.300 1 347 36 36 THR HB H 4.302 0.030 1 348 36 36 THR CG2 C 21.677 0.300 1 349 36 36 THR HG2 H 1.221 0.030 1 350 36 36 THR C C 175.505 0.300 1 351 37 37 GLY N N 110.726 0.300 1 352 37 37 GLY H H 8.300 0.030 1 353 37 37 GLY CA C 45.440 0.300 1 354 37 37 GLY HA2 H 4.009 0.030 2 355 37 37 GLY HA3 H 3.935 0.030 2 356 37 37 GLY C C 174.308 0.300 1 357 38 38 GLU N N 120.764 0.300 1 358 38 38 GLU H H 8.144 0.030 1 359 38 38 GLU CA C 56.738 0.300 1 360 38 38 GLU HA H 4.240 0.030 1 361 38 38 GLU CB C 30.407 0.300 1 362 38 38 GLU HB2 H 2.017 0.030 2 363 38 38 GLU HB3 H 1.935 0.030 2 364 38 38 GLU CG C 36.254 0.300 1 365 38 38 GLU HG2 H 2.267 0.030 2 366 38 38 GLU HG3 H 2.226 0.030 2 367 38 38 GLU C C 176.615 0.300 1 368 39 39 ARG N N 121.903 0.300 1 369 39 39 ARG H H 8.401 0.030 1 370 39 39 ARG CA C 56.022 0.300 1 371 39 39 ARG HA H 4.372 0.030 1 372 39 39 ARG CB C 30.822 0.300 1 373 39 39 ARG HB2 H 1.878 0.030 2 374 39 39 ARG HB3 H 1.770 0.030 2 375 39 39 ARG CG C 27.101 0.300 1 376 39 39 ARG HG2 H 1.633 0.030 1 377 39 39 ARG HG3 H 1.633 0.030 1 378 39 39 ARG CD C 43.403 0.300 1 379 39 39 ARG HD2 H 3.188 0.030 1 380 39 39 ARG HD3 H 3.188 0.030 1 381 39 39 ARG C C 176.458 0.300 1 382 42 42 GLY CA C 44.688 0.300 1 383 42 42 GLY HA2 H 4.120 0.030 1 384 42 42 GLY HA3 H 4.120 0.030 1 385 43 43 PRO CA C 63.243 0.300 1 386 43 43 PRO HA H 4.464 0.030 1 387 43 43 PRO CB C 32.210 0.300 1 388 43 43 PRO HB2 H 2.280 0.030 1 389 43 43 PRO HB3 H 2.280 0.030 1 390 43 43 PRO CG C 27.188 0.300 1 391 43 43 PRO HG2 H 1.999 0.030 1 392 43 43 PRO HG3 H 1.999 0.030 1 393 43 43 PRO CD C 49.839 0.300 1 394 43 43 PRO HD2 H 3.613 0.030 1 395 43 43 PRO HD3 H 3.613 0.030 1 stop_ save_