data_10167 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 584-616) of human Zinc finger protein 28 homolog ; _BMRB_accession_number 10167 _BMRB_flat_file_name bmr10167.str _Entry_type original _Submission_date 2007-12-28 _Accession_date 2008-01-08 _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" 214 "13C chemical shifts" 153 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-23 original author . stop_ _Original_release_date 2009-02-23 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 584-616) 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 'Zinc finger protein 28 homolog' $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 other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSGEKPFKCKECGK AFRQNIHLASHLRIHTGEKP 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 GLU 11 LYS 12 PRO 13 PHE 14 LYS 15 CYS 16 LYS 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ARG 24 GLN 25 ASN 26 ILE 27 HIS 28 LEU 29 ALA 30 SER 31 HIS 32 LEU 33 ARG 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 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 2EM2 "Solution Structure Of The C2h2 Type Zinc Finger (Region 584- 616) Of Human Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 1.03e-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 . _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 P061225-07 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 refinement 'structure solution' 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 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 'Zinc finger protein 28 homolog' _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 45.191 0.300 1 2 9 9 GLY HA2 H 3.910 0.030 1 3 9 9 GLY HA3 H 3.910 0.030 1 4 9 9 GLY C C 174.087 0.300 1 5 10 10 GLU N N 120.188 0.300 1 6 10 10 GLU H H 8.196 0.030 1 7 10 10 GLU CA C 56.995 0.300 1 8 10 10 GLU HA H 4.167 0.030 1 9 10 10 GLU CB C 30.393 0.300 1 10 10 10 GLU HB2 H 1.916 0.030 2 11 10 10 GLU HB3 H 1.979 0.030 2 12 10 10 GLU CG C 36.287 0.300 1 13 10 10 GLU HG2 H 2.211 0.030 2 14 10 10 GLU HG3 H 2.260 0.030 2 15 10 10 GLU C C 176.271 0.300 1 16 11 11 LYS N N 120.905 0.300 1 17 11 11 LYS H H 8.243 0.030 1 18 11 11 LYS CA C 53.823 0.300 1 19 11 11 LYS HA H 4.538 0.030 1 20 11 11 LYS CB C 33.303 0.300 1 21 11 11 LYS HB2 H 1.572 0.030 2 22 11 11 LYS HB3 H 1.390 0.030 2 23 11 11 LYS CG C 25.165 0.300 1 24 11 11 LYS HG2 H 1.333 0.030 2 25 11 11 LYS HG3 H 1.083 0.030 2 26 11 11 LYS CD C 29.720 0.300 1 27 11 11 LYS HD2 H 1.490 0.030 1 28 11 11 LYS HD3 H 1.490 0.030 1 29 11 11 LYS CE C 42.228 0.300 1 30 11 11 LYS HE2 H 2.889 0.030 1 31 11 11 LYS HE3 H 2.889 0.030 1 32 11 11 LYS C C 173.935 0.300 1 33 12 12 PRO CA C 63.584 0.300 1 34 12 12 PRO HA H 4.263 0.030 1 35 12 12 PRO CB C 32.345 0.300 1 36 12 12 PRO HB2 H 1.186 0.030 2 37 12 12 PRO HB3 H 1.978 0.030 2 38 12 12 PRO CG C 26.551 0.300 1 39 12 12 PRO HG2 H 1.543 0.030 2 40 12 12 PRO HG3 H 1.774 0.030 2 41 12 12 PRO CD C 50.268 0.300 1 42 12 12 PRO HD2 H 3.643 0.030 2 43 12 12 PRO HD3 H 3.719 0.030 2 44 12 12 PRO C C 176.502 0.300 1 45 13 13 PHE N N 118.504 0.300 1 46 13 13 PHE H H 7.832 0.030 1 47 13 13 PHE CA C 57.518 0.300 1 48 13 13 PHE HA H 4.678 0.030 1 49 13 13 PHE CB C 39.051 0.300 1 50 13 13 PHE HB2 H 2.903 0.030 2 51 13 13 PHE HB3 H 3.075 0.030 2 52 13 13 PHE CD1 C 132.047 0.300 1 53 13 13 PHE HD1 H 7.116 0.030 1 54 13 13 PHE CD2 C 132.047 0.300 1 55 13 13 PHE HD2 H 7.116 0.030 1 56 13 13 PHE CE1 C 131.737 0.300 1 57 13 13 PHE HE1 H 7.426 0.030 1 58 13 13 PHE CE2 C 131.737 0.300 1 59 13 13 PHE HE2 H 7.426 0.030 1 60 13 13 PHE CZ C 130.240 0.300 1 61 13 13 PHE HZ H 7.383 0.030 1 62 13 13 PHE C C 174.345 0.300 1 63 14 14 LYS N N 124.932 0.300 1 64 14 14 LYS H H 8.568 0.030 1 65 14 14 LYS CA C 55.189 0.300 1 66 14 14 LYS HA H 4.997 0.030 1 67 14 14 LYS CB C 35.460 0.300 1 68 14 14 LYS HB2 H 1.609 0.030 2 69 14 14 LYS HB3 H 1.648 0.030 2 70 14 14 LYS CG C 24.961 0.300 1 71 14 14 LYS HG2 H 1.178 0.030 2 72 14 14 LYS HG3 H 1.224 0.030 2 73 14 14 LYS CD C 29.424 0.300 1 74 14 14 LYS HD2 H 1.602 0.030 1 75 14 14 LYS HD3 H 1.602 0.030 1 76 14 14 LYS CE C 42.057 0.300 1 77 14 14 LYS HE2 H 2.946 0.030 1 78 14 14 LYS HE3 H 2.946 0.030 1 79 14 14 LYS C C 175.180 0.300 1 80 15 15 CYS N N 127.244 0.300 1 81 15 15 CYS H H 9.264 0.030 1 82 15 15 CYS CA C 59.641 0.300 1 83 15 15 CYS HA H 4.567 0.030 1 84 15 15 CYS CB C 29.799 0.300 1 85 15 15 CYS HB2 H 2.868 0.030 2 86 15 15 CYS HB3 H 3.383 0.030 2 87 15 15 CYS C C 177.766 0.300 1 88 16 16 LYS N N 132.596 0.300 1 89 16 16 LYS H H 9.452 0.030 1 90 16 16 LYS CA C 58.651 0.300 1 91 16 16 LYS HA H 4.142 0.030 1 92 16 16 LYS CB C 32.384 0.300 1 93 16 16 LYS HB2 H 1.953 0.030 1 94 16 16 LYS HB3 H 1.953 0.030 1 95 16 16 LYS CG C 24.946 0.300 1 96 16 16 LYS HG2 H 1.556 0.030 1 97 16 16 LYS HG3 H 1.556 0.030 1 98 16 16 LYS CD C 29.236 0.300 1 99 16 16 LYS HD2 H 1.739 0.030 1 100 16 16 LYS HD3 H 1.739 0.030 1 101 16 16 LYS CE C 42.163 0.300 1 102 16 16 LYS HE2 H 3.057 0.030 1 103 16 16 LYS HE3 H 3.057 0.030 1 104 16 16 LYS C C 176.701 0.300 1 105 17 17 GLU N N 120.589 0.300 1 106 17 17 GLU H H 8.832 0.030 1 107 17 17 GLU CA C 57.941 0.300 1 108 17 17 GLU HA H 4.228 0.030 1 109 17 17 GLU CB C 29.158 0.300 1 110 17 17 GLU HB2 H 1.214 0.030 2 111 17 17 GLU HB3 H 1.355 0.030 2 112 17 17 GLU CG C 35.203 0.300 1 113 17 17 GLU HG2 H 1.812 0.030 2 114 17 17 GLU HG3 H 1.843 0.030 2 115 17 17 GLU C C 177.504 0.300 1 116 18 18 CYS N N 115.823 0.300 1 117 18 18 CYS H H 8.345 0.030 1 118 18 18 CYS CA C 58.442 0.300 1 119 18 18 CYS HA H 5.196 0.030 1 120 18 18 CYS CB C 32.566 0.300 1 121 18 18 CYS HB2 H 2.841 0.030 2 122 18 18 CYS HB3 H 3.450 0.030 2 123 18 18 CYS C C 176.419 0.300 1 124 19 19 GLY N N 113.312 0.300 1 125 19 19 GLY H H 8.066 0.030 1 126 19 19 GLY CA C 46.235 0.300 1 127 19 19 GLY HA2 H 3.778 0.030 2 128 19 19 GLY HA3 H 4.257 0.030 2 129 19 19 GLY C C 173.644 0.300 1 130 20 20 LYS N N 123.577 0.300 1 131 20 20 LYS H H 7.997 0.030 1 132 20 20 LYS CA C 58.469 0.300 1 133 20 20 LYS HA H 3.908 0.030 1 134 20 20 LYS CB C 33.466 0.300 1 135 20 20 LYS HB2 H 1.175 0.030 2 136 20 20 LYS HB3 H 1.434 0.030 2 137 20 20 LYS CG C 26.219 0.300 1 138 20 20 LYS HG2 H 1.369 0.030 2 139 20 20 LYS HG3 H 1.038 0.030 2 140 20 20 LYS CD C 29.330 0.300 1 141 20 20 LYS HD2 H 1.443 0.030 2 142 20 20 LYS HD3 H 1.514 0.030 2 143 20 20 LYS CE C 42.154 0.300 1 144 20 20 LYS HE2 H 2.894 0.030 1 145 20 20 LYS HE3 H 2.894 0.030 1 146 20 20 LYS C C 173.507 0.300 1 147 21 21 ALA N N 124.329 0.300 1 148 21 21 ALA H H 7.783 0.030 1 149 21 21 ALA CA C 50.334 0.300 1 150 21 21 ALA HA H 5.185 0.030 1 151 21 21 ALA CB C 22.524 0.300 1 152 21 21 ALA HB H 1.233 0.030 1 153 21 21 ALA C C 176.077 0.300 1 154 22 22 PHE N N 116.711 0.300 1 155 22 22 PHE H H 8.847 0.030 1 156 22 22 PHE CA C 57.330 0.300 1 157 22 22 PHE HA H 4.775 0.030 1 158 22 22 PHE CB C 43.939 0.300 1 159 22 22 PHE HB2 H 2.764 0.030 2 160 22 22 PHE HB3 H 3.573 0.030 2 161 22 22 PHE CD1 C 132.516 0.300 1 162 22 22 PHE HD1 H 7.305 0.030 1 163 22 22 PHE CD2 C 132.516 0.300 1 164 22 22 PHE HD2 H 7.305 0.030 1 165 22 22 PHE CE1 C 130.711 0.300 1 166 22 22 PHE HE1 H 6.858 0.030 1 167 22 22 PHE CE2 C 130.711 0.300 1 168 22 22 PHE HE2 H 6.858 0.030 1 169 22 22 PHE CZ C 128.775 0.300 1 170 22 22 PHE HZ H 6.320 0.030 1 171 22 22 PHE C C 175.213 0.300 1 172 23 23 ARG N N 120.534 0.300 1 173 23 23 ARG H H 9.558 0.030 1 174 23 23 ARG CA C 58.450 0.300 1 175 23 23 ARG HA H 4.579 0.030 1 176 23 23 ARG CB C 31.693 0.300 1 177 23 23 ARG HB2 H 2.078 0.030 2 178 23 23 ARG HB3 H 2.186 0.030 2 179 23 23 ARG CG C 28.551 0.300 1 180 23 23 ARG HG2 H 1.886 0.030 2 181 23 23 ARG HG3 H 1.917 0.030 2 182 23 23 ARG CD C 43.374 0.300 1 183 23 23 ARG HD2 H 3.370 0.030 1 184 23 23 ARG HD3 H 3.370 0.030 1 185 23 23 ARG C C 176.152 0.300 1 186 24 24 GLN N N 112.058 0.300 1 187 24 24 GLN H H 7.643 0.030 1 188 24 24 GLN CA C 53.900 0.300 1 189 24 24 GLN HA H 4.749 0.030 1 190 24 24 GLN CB C 32.181 0.300 1 191 24 24 GLN HB2 H 1.960 0.030 2 192 24 24 GLN HB3 H 1.214 0.030 2 193 24 24 GLN CG C 33.910 0.300 1 194 24 24 GLN HG2 H 2.225 0.030 2 195 24 24 GLN HG3 H 2.335 0.030 2 196 24 24 GLN NE2 N 111.282 0.300 1 197 24 24 GLN HE21 H 6.870 0.030 2 198 24 24 GLN HE22 H 7.523 0.030 2 199 24 24 GLN C C 176.122 0.300 1 200 25 25 ASN CA C 56.267 0.300 1 201 25 25 ASN HA H 3.435 0.030 1 202 25 25 ASN CB C 37.777 0.300 1 203 25 25 ASN HB2 H 1.935 0.030 2 204 25 25 ASN HB3 H 2.219 0.030 2 205 25 25 ASN ND2 N 112.400 0.300 1 206 25 25 ASN HD21 H 7.251 0.030 2 207 25 25 ASN HD22 H 6.714 0.030 2 208 25 25 ASN C C 177.746 0.300 1 209 26 26 ILE N N 115.551 0.300 1 210 26 26 ILE H H 8.132 0.030 1 211 26 26 ILE CA C 63.728 0.300 1 212 26 26 ILE HA H 3.895 0.030 1 213 26 26 ILE CB C 37.791 0.300 1 214 26 26 ILE HB H 1.697 0.030 1 215 26 26 ILE CG1 C 27.460 0.300 1 216 26 26 ILE HG12 H 1.010 0.030 2 217 26 26 ILE HG13 H 1.140 0.030 2 218 26 26 ILE CG2 C 17.562 0.300 1 219 26 26 ILE HG2 H 0.708 0.030 1 220 26 26 ILE CD1 C 13.876 0.300 1 221 26 26 ILE HD1 H 0.778 0.030 1 222 26 26 ILE C C 177.174 0.300 1 223 27 27 HIS N N 120.664 0.300 1 224 27 27 HIS H H 6.592 0.030 1 225 27 27 HIS CA C 56.928 0.300 1 226 27 27 HIS HA H 4.515 0.030 1 227 27 27 HIS CB C 31.690 0.300 1 228 27 27 HIS HB2 H 3.195 0.030 2 229 27 27 HIS HB3 H 3.281 0.030 2 230 27 27 HIS CD2 C 117.136 0.300 1 231 27 27 HIS HD2 H 7.027 0.030 1 232 27 27 HIS CE1 C 138.878 0.300 1 233 27 27 HIS HE1 H 7.770 0.030 1 234 27 27 HIS C C 178.354 0.300 1 235 28 28 LEU N N 122.071 0.300 1 236 28 28 LEU H H 6.883 0.030 1 237 28 28 LEU CA C 57.620 0.300 1 238 28 28 LEU HA H 3.326 0.030 1 239 28 28 LEU CB C 40.160 0.300 1 240 28 28 LEU HB2 H 2.008 0.030 2 241 28 28 LEU HB3 H 1.273 0.030 2 242 28 28 LEU CG C 27.633 0.300 1 243 28 28 LEU HG H 1.630 0.030 1 244 28 28 LEU CD1 C 26.527 0.300 2 245 28 28 LEU HD1 H 1.088 0.030 1 246 28 28 LEU CD2 C 22.549 0.300 2 247 28 28 LEU HD2 H 1.071 0.030 1 248 28 28 LEU C C 177.151 0.300 1 249 29 29 ALA N N 120.705 0.300 1 250 29 29 ALA H H 8.279 0.030 1 251 29 29 ALA CA C 55.529 0.300 1 252 29 29 ALA HA H 3.938 0.030 1 253 29 29 ALA CB C 17.758 0.300 1 254 29 29 ALA HB H 1.369 0.030 1 255 29 29 ALA C C 180.633 0.300 1 256 30 30 SER N N 111.186 0.300 1 257 30 30 SER H H 7.532 0.030 1 258 30 30 SER CA C 61.154 0.300 1 259 30 30 SER HA H 4.145 0.030 1 260 30 30 SER CB C 62.792 0.300 1 261 30 30 SER HB2 H 3.893 0.030 1 262 30 30 SER HB3 H 3.893 0.030 1 263 30 30 SER C C 176.819 0.300 1 264 31 31 HIS N N 122.310 0.300 1 265 31 31 HIS H H 7.533 0.030 1 266 31 31 HIS CA C 59.375 0.300 1 267 31 31 HIS HA H 4.196 0.030 1 268 31 31 HIS CB C 28.704 0.300 1 269 31 31 HIS HB2 H 2.923 0.030 2 270 31 31 HIS HB3 H 3.270 0.030 2 271 31 31 HIS CD2 C 127.266 0.300 1 272 31 31 HIS HD2 H 7.042 0.030 1 273 31 31 HIS CE1 C 139.599 0.300 1 274 31 31 HIS HE1 H 8.016 0.030 1 275 31 31 HIS C C 176.094 0.300 1 276 32 32 LEU N N 116.904 0.300 1 277 32 32 LEU H H 8.410 0.030 1 278 32 32 LEU CA C 58.179 0.300 1 279 32 32 LEU HA H 3.831 0.030 1 280 32 32 LEU CB C 42.008 0.300 1 281 32 32 LEU HB2 H 1.602 0.030 2 282 32 32 LEU HB3 H 1.900 0.030 2 283 32 32 LEU CG C 27.055 0.300 1 284 32 32 LEU HG H 2.070 0.030 1 285 32 32 LEU CD1 C 25.578 0.300 2 286 32 32 LEU HD1 H 1.026 0.030 1 287 32 32 LEU CD2 C 24.861 0.300 2 288 32 32 LEU HD2 H 1.294 0.030 1 289 32 32 LEU C C 178.884 0.300 1 290 33 33 ARG N N 116.036 0.300 1 291 33 33 ARG H H 7.068 0.030 1 292 33 33 ARG CA C 58.384 0.300 1 293 33 33 ARG HA H 4.131 0.030 1 294 33 33 ARG CB C 29.968 0.300 1 295 33 33 ARG HB2 H 1.823 0.030 2 296 33 33 ARG HB3 H 1.887 0.030 2 297 33 33 ARG CG C 27.621 0.300 1 298 33 33 ARG HG2 H 1.826 0.030 2 299 33 33 ARG HG3 H 1.650 0.030 2 300 33 33 ARG CD C 43.391 0.300 1 301 33 33 ARG HD2 H 3.214 0.030 1 302 33 33 ARG HD3 H 3.214 0.030 1 303 33 33 ARG C C 178.701 0.300 1 304 34 34 ILE N N 116.874 0.300 1 305 34 34 ILE H H 7.908 0.030 1 306 34 34 ILE CA C 63.093 0.300 1 307 34 34 ILE HA H 3.976 0.030 1 308 34 34 ILE CB C 37.654 0.300 1 309 34 34 ILE HB H 1.685 0.030 1 310 34 34 ILE CG1 C 26.825 0.300 1 311 34 34 ILE HG12 H 0.790 0.030 2 312 34 34 ILE HG13 H 0.966 0.030 2 313 34 34 ILE CG2 C 16.561 0.300 1 314 34 34 ILE HG2 H 0.587 0.030 1 315 34 34 ILE CD1 C 14.284 0.300 1 316 34 34 ILE HD1 H 0.693 0.030 1 317 34 34 ILE C C 177.579 0.300 1 318 35 35 HIS N N 117.636 0.300 1 319 35 35 HIS H H 7.228 0.030 1 320 35 35 HIS CA C 55.502 0.300 1 321 35 35 HIS HA H 4.849 0.030 1 322 35 35 HIS CB C 28.632 0.300 1 323 35 35 HIS HB2 H 3.184 0.030 2 324 35 35 HIS HB3 H 3.362 0.030 2 325 35 35 HIS CD2 C 127.602 0.300 1 326 35 35 HIS HD2 H 6.740 0.030 1 327 35 35 HIS CE1 C 140.063 0.300 1 328 35 35 HIS HE1 H 8.044 0.030 1 329 35 35 HIS C C 175.806 0.300 1 330 36 36 THR N N 111.751 0.300 1 331 36 36 THR H H 7.810 0.030 1 332 36 36 THR CA C 62.645 0.300 1 333 36 36 THR HA H 4.344 0.030 1 334 36 36 THR CB C 69.842 0.300 1 335 36 36 THR HB H 4.326 0.030 1 336 36 36 THR CG2 C 21.573 0.300 1 337 36 36 THR HG2 H 1.247 0.030 1 338 36 36 THR C C 175.493 0.300 1 339 37 37 GLY N N 110.648 0.300 1 340 37 37 GLY H H 8.229 0.030 1 341 37 37 GLY CA C 45.270 0.300 1 342 37 37 GLY HA2 H 4.029 0.030 2 343 37 37 GLY HA3 H 3.944 0.030 2 344 37 37 GLY C C 174.050 0.300 1 345 38 38 GLU N N 120.571 0.300 1 346 38 38 GLU H H 8.068 0.030 1 347 38 38 GLU CA C 56.459 0.300 1 348 38 38 GLU HA H 4.245 0.030 1 349 38 38 GLU CB C 30.556 0.300 1 350 38 38 GLU HB2 H 1.904 0.030 2 351 38 38 GLU HB3 H 1.991 0.030 2 352 38 38 GLU CG C 36.294 0.300 1 353 38 38 GLU HG2 H 2.269 0.030 2 354 38 38 GLU HG3 H 2.209 0.030 2 355 38 38 GLU C C 176.194 0.300 1 356 39 39 LYS N N 123.762 0.300 1 357 39 39 LYS H H 8.404 0.030 1 358 39 39 LYS CA C 54.107 0.300 1 359 39 39 LYS HA H 4.607 0.030 1 360 39 39 LYS CB C 32.501 0.300 1 361 39 39 LYS HB2 H 1.818 0.030 2 362 39 39 LYS HB3 H 1.727 0.030 2 363 39 39 LYS CG C 24.503 0.300 1 364 39 39 LYS HG2 H 1.472 0.030 1 365 39 39 LYS HG3 H 1.472 0.030 1 366 39 39 LYS CD C 29.144 0.300 1 367 39 39 LYS HD2 H 1.689 0.030 1 368 39 39 LYS HD3 H 1.689 0.030 1 369 39 39 LYS CE C 42.192 0.300 1 370 39 39 LYS HE2 H 2.966 0.030 1 371 39 39 LYS HE3 H 2.966 0.030 1 372 39 39 LYS C C 174.460 0.300 1 373 40 40 PRO CA C 63.205 0.300 1 374 40 40 PRO HA H 4.462 0.030 1 375 40 40 PRO CB C 32.180 0.300 1 376 40 40 PRO HB2 H 1.938 0.030 2 377 40 40 PRO HB3 H 2.307 0.030 2 378 40 40 PRO CG C 27.285 0.300 1 379 40 40 PRO HG2 H 2.012 0.030 1 380 40 40 PRO HG3 H 2.012 0.030 1 381 40 40 PRO CD C 50.675 0.300 1 382 40 40 PRO HD2 H 3.645 0.030 2 383 40 40 PRO HD3 H 3.816 0.030 2 384 42 42 GLY CA C 44.664 0.300 1 385 42 42 GLY HA2 H 4.110 0.030 2 386 42 42 GLY HA3 H 4.157 0.030 2 387 43 43 PRO CA C 63.253 0.300 1 388 43 43 PRO HA H 4.472 0.030 1 389 43 43 PRO CB C 32.202 0.300 1 390 43 43 PRO HB2 H 2.292 0.030 2 391 43 43 PRO HB3 H 1.952 0.030 2 392 43 43 PRO CG C 27.271 0.300 1 393 43 43 PRO HG2 H 2.023 0.030 1 394 43 43 PRO HG3 H 2.023 0.030 1 395 43 43 PRO CD C 49.807 0.300 1 396 43 43 PRO HD2 H 3.626 0.030 1 397 43 43 PRO HD3 H 3.626 0.030 1 stop_ save_