data_10170 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 415-447) of human Zinc finger protein 28 homolog ; _BMRB_accession_number 10170 _BMRB_flat_file_name bmr10170.str _Entry_type original _Submission_date 2008-01-31 _Accession_date 2008-02-01 _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" 206 "13C chemical shifts" 152 "15N chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-24 original author . stop_ _Original_release_date 2009-02-24 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 415-447) 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 $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 ; GSSGSSGAGKKLFKCNECKK TFTQSSSLTVHQRIHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 GLY 10 LYS 11 LYS 12 LEU 13 PHE 14 LYS 15 CYS 16 ASN 17 GLU 18 CYS 19 LYS 20 LYS 21 THR 22 PHE 23 THR 24 GLN 25 SER 26 SER 27 SER 28 LEU 29 THR 30 VAL 31 HIS 32 GLN 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 2EN9 "Solution Structure Of The C2h2 Type Zinc Finger (Region 415- 447) Of Human Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 2.38e-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 P061225-29 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 _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 CA C 45.432 0.300 1 2 7 7 GLY C C 174.065 0.300 1 3 8 8 ALA N N 123.769 0.300 1 4 8 8 ALA H H 8.183 0.030 1 5 8 8 ALA CA C 52.778 0.300 1 6 8 8 ALA HA H 4.313 0.030 1 7 8 8 ALA CB C 19.382 0.300 1 8 8 8 ALA HB H 1.387 0.030 1 9 8 8 ALA C C 178.301 0.300 1 10 9 9 GLY N N 108.153 0.300 1 11 9 9 GLY H H 8.410 0.030 1 12 9 9 GLY CA C 45.309 0.300 1 13 9 9 GLY HA3 H 3.926 0.030 1 14 9 9 GLY C C 174.030 0.300 1 15 9 9 GLY HA2 H 3.926 0.030 1 16 10 10 LYS N N 120.547 0.300 1 17 10 10 LYS H H 8.067 0.030 1 18 10 10 LYS CA C 56.267 0.300 1 19 10 10 LYS HA H 4.277 0.030 1 20 10 10 LYS CB C 33.167 0.300 1 21 10 10 LYS HB3 H 1.701 0.030 2 22 10 10 LYS CG C 24.755 0.300 1 23 10 10 LYS HG3 H 1.415 0.030 2 24 10 10 LYS CD C 29.113 0.300 1 25 10 10 LYS HD3 H 1.661 0.030 1 26 10 10 LYS CE C 41.999 0.300 1 27 10 10 LYS HE3 H 2.974 0.030 2 28 10 10 LYS C C 176.363 0.300 1 29 10 10 LYS HB2 H 1.775 0.030 2 30 10 10 LYS HD2 H 1.661 0.030 1 31 10 10 LYS HE2 H 2.888 0.030 2 32 10 10 LYS HG2 H 1.333 0.030 2 33 11 11 LYS N N 122.689 0.300 1 34 11 11 LYS H H 8.290 0.030 1 35 11 11 LYS CA C 56.098 0.300 1 36 11 11 LYS HA H 4.180 0.030 1 37 11 11 LYS CB C 32.953 0.300 1 38 11 11 LYS HB3 H 1.626 0.030 1 39 11 11 LYS CG C 24.829 0.300 1 40 11 11 LYS HG3 H 1.182 0.030 2 41 11 11 LYS CD C 29.016 0.300 1 42 11 11 LYS CE C 42.269 0.300 1 43 11 11 LYS HE3 H 2.978 0.030 2 44 11 11 LYS C C 175.249 0.300 1 45 11 11 LYS HB2 H 1.626 0.030 1 46 11 11 LYS HD2 H 1.581 0.030 2 47 11 11 LYS HE2 H 2.886 0.030 2 48 11 11 LYS HG2 H 1.275 0.030 2 49 12 12 LEU N N 121.792 0.300 1 50 12 12 LEU H H 7.790 0.030 1 51 12 12 LEU CA C 54.202 0.300 1 52 12 12 LEU HA H 4.419 0.030 1 53 12 12 LEU CB C 44.011 0.300 1 54 12 12 LEU HB3 H 1.245 0.030 2 55 12 12 LEU CG C 26.927 0.300 1 56 12 12 LEU HG H 1.443 0.030 1 57 12 12 LEU CD1 C 23.725 0.300 2 58 12 12 LEU HD1 H 0.744 0.030 1 59 12 12 LEU CD2 C 25.155 0.300 2 60 12 12 LEU HD2 H 0.802 0.030 1 61 12 12 LEU C C 176.086 0.300 1 62 12 12 LEU HB2 H 1.407 0.030 2 63 13 13 PHE N N 121.077 0.300 1 64 13 13 PHE H H 8.628 0.030 1 65 13 13 PHE CA C 57.309 0.300 1 66 13 13 PHE HA H 4.578 0.030 1 67 13 13 PHE CB C 40.107 0.300 1 68 13 13 PHE HB3 H 2.787 0.030 2 69 13 13 PHE CD1 C 131.725 0.300 1 70 13 13 PHE HD1 H 7.090 0.030 1 71 13 13 PHE CD2 C 131.725 0.300 1 72 13 13 PHE HD2 H 7.090 0.030 1 73 13 13 PHE CE1 C 131.294 0.300 1 74 13 13 PHE HE1 H 7.331 0.030 1 75 13 13 PHE CE2 C 131.294 0.300 1 76 13 13 PHE HE2 H 7.331 0.030 1 77 13 13 PHE CZ C 130.082 0.300 1 78 13 13 PHE HZ H 7.335 0.030 1 79 13 13 PHE C C 174.502 0.300 1 80 13 13 PHE HB2 H 3.016 0.030 2 81 14 14 LYS N N 124.720 0.300 1 82 14 14 LYS H H 8.757 0.030 1 83 14 14 LYS CA C 55.088 0.300 1 84 14 14 LYS HA H 4.866 0.030 1 85 14 14 LYS CB C 35.570 0.300 1 86 14 14 LYS HB3 H 1.527 0.030 2 87 14 14 LYS CG C 24.440 0.300 1 88 14 14 LYS HG3 H 1.148 0.030 1 89 14 14 LYS CD C 29.385 0.300 1 90 14 14 LYS HD3 H 1.554 0.030 1 91 14 14 LYS CE C 41.997 0.300 1 92 14 14 LYS HE3 H 2.860 0.030 1 93 14 14 LYS C C 174.832 0.300 1 94 14 14 LYS HB2 H 1.734 0.030 2 95 14 14 LYS HD2 H 1.554 0.030 1 96 14 14 LYS HE2 H 2.860 0.030 1 97 14 14 LYS HG2 H 1.148 0.030 1 98 15 15 CYS N N 127.003 0.300 1 99 15 15 CYS H H 8.884 0.030 1 100 15 15 CYS CA C 59.640 0.300 1 101 15 15 CYS HA H 4.497 0.030 1 102 15 15 CYS CB C 29.562 0.300 1 103 15 15 CYS HB3 H 3.360 0.030 2 104 15 15 CYS C C 176.310 0.300 1 105 15 15 CYS HB2 H 2.805 0.030 2 106 16 16 ASN N N 128.404 0.300 1 107 16 16 ASN H H 9.250 0.030 1 108 16 16 ASN CA C 55.576 0.300 1 109 16 16 ASN HA H 4.554 0.030 1 110 16 16 ASN CB C 38.591 0.300 1 111 16 16 ASN HB3 H 2.876 0.030 1 112 16 16 ASN ND2 N 113.751 0.300 1 113 16 16 ASN HD21 H 7.714 0.030 2 114 16 16 ASN HD22 H 6.998 0.030 2 115 16 16 ASN C C 175.713 0.300 1 116 16 16 ASN HB2 H 2.876 0.030 1 117 17 17 GLU N N 120.824 0.300 1 118 17 17 GLU H H 8.813 0.030 1 119 17 17 GLU CA C 58.125 0.300 1 120 17 17 GLU HA H 4.242 0.030 1 121 17 17 GLU CB C 29.807 0.300 1 122 17 17 GLU HB3 H 1.231 0.030 2 123 17 17 GLU CG C 35.913 0.300 1 124 17 17 GLU HG3 H 1.804 0.030 2 125 17 17 GLU C C 176.504 0.300 1 126 17 17 GLU HB2 H 1.375 0.030 2 127 17 17 GLU HG2 H 1.867 0.030 2 128 18 18 CYS N N 116.605 0.300 1 129 18 18 CYS H H 7.948 0.030 1 130 18 18 CYS CA C 58.408 0.300 1 131 18 18 CYS HA H 5.061 0.030 1 132 18 18 CYS CB C 31.357 0.300 1 133 18 18 CYS HB3 H 2.954 0.030 2 134 18 18 CYS C C 175.034 0.300 1 135 18 18 CYS HB2 H 3.414 0.030 2 136 19 19 LYS N N 115.996 0.300 1 137 19 19 LYS H H 8.013 0.030 1 138 19 19 LYS CA C 57.801 0.300 1 139 19 19 LYS HA H 4.131 0.030 1 140 19 19 LYS CB C 29.728 0.300 1 141 19 19 LYS HB3 H 2.157 0.030 2 142 19 19 LYS CG C 25.247 0.300 1 143 19 19 LYS HG3 H 1.386 0.030 2 144 19 19 LYS CD C 28.797 0.300 1 145 19 19 LYS HD3 H 1.620 0.030 2 146 19 19 LYS CE C 42.416 0.300 1 147 19 19 LYS C C 175.710 0.300 1 148 19 19 LYS HB2 H 1.964 0.030 2 149 19 19 LYS HD2 H 1.566 0.030 2 150 19 19 LYS HE2 H 2.914 0.030 2 151 19 19 LYS HG2 H 1.260 0.030 2 152 20 20 LYS N N 122.163 0.300 1 153 20 20 LYS H H 8.056 0.030 1 154 20 20 LYS CA C 58.153 0.300 1 155 20 20 LYS HA H 4.068 0.030 1 156 20 20 LYS CB C 33.850 0.300 1 157 20 20 LYS HB3 H 1.241 0.030 2 158 20 20 LYS CG C 26.289 0.300 1 159 20 20 LYS HG3 H 1.470 0.030 2 160 20 20 LYS CD C 29.250 0.300 1 161 20 20 LYS HD3 H 1.535 0.030 2 162 20 20 LYS CE C 42.237 0.300 1 163 20 20 LYS HE3 H 2.983 0.030 2 164 20 20 LYS C C 175.054 0.300 1 165 20 20 LYS HB2 H 1.443 0.030 2 166 20 20 LYS HD2 H 1.458 0.030 2 167 20 20 LYS HE2 H 2.912 0.030 2 168 20 20 LYS HG2 H 1.191 0.030 2 169 21 21 THR N N 111.093 0.300 1 170 21 21 THR H H 7.640 0.030 1 171 21 21 THR CA C 59.789 0.300 1 172 21 21 THR HA H 5.059 0.030 1 173 21 21 THR CB C 71.613 0.300 1 174 21 21 THR HB H 3.963 0.030 1 175 21 21 THR CG2 C 22.043 0.300 1 176 21 21 THR HG2 H 1.068 0.030 1 177 21 21 THR C C 173.193 0.300 1 178 22 22 PHE N N 117.679 0.300 1 179 22 22 PHE H H 8.794 0.030 1 180 22 22 PHE CA C 56.872 0.300 1 181 22 22 PHE HA H 4.857 0.030 1 182 22 22 PHE CB C 43.851 0.300 1 183 22 22 PHE HB3 H 2.636 0.030 2 184 22 22 PHE CD1 C 132.281 0.300 1 185 22 22 PHE HD1 H 7.173 0.030 1 186 22 22 PHE CD2 C 132.281 0.300 1 187 22 22 PHE HD2 H 7.173 0.030 1 188 22 22 PHE CE1 C 130.546 0.300 1 189 22 22 PHE HE1 H 6.834 0.030 1 190 22 22 PHE CE2 C 130.546 0.300 1 191 22 22 PHE HE2 H 6.834 0.030 1 192 22 22 PHE CZ C 128.712 0.300 1 193 22 22 PHE HZ H 6.156 0.030 1 194 22 22 PHE C C 175.647 0.300 1 195 22 22 PHE HB2 H 3.452 0.030 2 196 23 23 THR N N 111.367 0.300 1 197 23 23 THR H H 8.994 0.030 1 198 23 23 THR CA C 62.862 0.300 1 199 23 23 THR HA H 4.704 0.030 1 200 23 23 THR CB C 69.427 0.300 1 201 23 23 THR HB H 4.545 0.030 1 202 23 23 THR CG2 C 22.511 0.300 1 203 23 23 THR HG2 H 1.298 0.030 1 204 23 23 THR C C 174.807 0.300 1 205 24 24 GLN N N 116.885 0.300 1 206 24 24 GLN H H 7.420 0.030 1 207 24 24 GLN CA C 54.233 0.300 1 208 24 24 GLN HA H 4.695 0.030 1 209 24 24 GLN CB C 32.047 0.300 1 210 24 24 GLN HB3 H 2.219 0.030 2 211 24 24 GLN CG C 33.641 0.300 1 212 24 24 GLN HG3 H 2.408 0.030 1 213 24 24 GLN NE2 N 112.105 0.300 1 214 24 24 GLN HE21 H 7.466 0.030 2 215 24 24 GLN HE22 H 6.907 0.030 2 216 24 24 GLN C C 175.738 0.300 1 217 24 24 GLN HB2 H 1.964 0.030 2 218 24 24 GLN HG2 H 2.408 0.030 1 219 25 25 SER CA C 60.953 0.300 1 220 25 25 SER HA H 3.007 0.030 1 221 25 25 SER CB C 61.858 0.300 1 222 25 25 SER HB3 H 3.200 0.030 2 223 25 25 SER HB2 H 3.389 0.030 2 224 26 26 SER CA C 60.852 0.300 1 225 26 26 SER HA H 4.030 0.030 1 226 26 26 SER CB C 61.476 0.300 1 227 26 26 SER HB3 H 3.844 0.030 1 228 26 26 SER C C 176.745 0.300 1 229 26 26 SER HB2 H 3.844 0.030 1 230 27 27 SER N N 116.833 0.300 1 231 27 27 SER H H 6.854 0.030 1 232 27 27 SER CA C 60.741 0.300 1 233 27 27 SER HA H 4.159 0.030 1 234 27 27 SER CB C 62.443 0.300 1 235 27 27 SER HB3 H 3.952 0.030 1 236 27 27 SER C C 176.287 0.300 1 237 27 27 SER HB2 H 3.952 0.030 1 238 28 28 LEU N N 123.878 0.300 1 239 28 28 LEU H H 6.955 0.030 1 240 28 28 LEU CA C 57.843 0.300 1 241 28 28 LEU HA H 3.164 0.030 1 242 28 28 LEU CB C 40.011 0.300 1 243 28 28 LEU HB3 H 1.991 0.030 2 244 28 28 LEU CG C 27.420 0.300 1 245 28 28 LEU HG H 1.453 0.030 1 246 28 28 LEU CD1 C 23.144 0.300 2 247 28 28 LEU HD1 H 0.960 0.030 1 248 28 28 LEU CD2 C 26.507 0.300 2 249 28 28 LEU HD2 H 0.992 0.030 1 250 28 28 LEU C C 177.222 0.300 1 251 28 28 LEU HB2 H 1.099 0.030 2 252 29 29 THR N N 116.142 0.300 1 253 29 29 THR H H 8.071 0.030 1 254 29 29 THR CA C 66.739 0.300 1 255 29 29 THR HA H 3.894 0.030 1 256 29 29 THR CB C 68.480 0.300 1 257 29 29 THR HB H 4.134 0.030 1 258 29 29 THR CG2 C 22.043 0.300 1 259 29 29 THR HG2 H 1.156 0.030 1 260 29 29 THR C C 176.872 0.300 1 261 30 30 VAL N N 119.927 0.300 1 262 30 30 VAL H H 7.466 0.030 1 263 30 30 VAL CA C 66.507 0.300 1 264 30 30 VAL HA H 3.515 0.030 1 265 30 30 VAL CB C 32.190 0.300 1 266 30 30 VAL HB H 1.913 0.030 1 267 30 30 VAL CG1 C 22.649 0.300 2 268 30 30 VAL HG1 H 0.997 0.030 1 269 30 30 VAL CG2 C 21.244 0.300 2 270 30 30 VAL HG2 H 0.900 0.030 1 271 30 30 VAL C C 178.591 0.300 1 272 31 31 HIS N N 120.154 0.300 1 273 31 31 HIS H H 7.526 0.030 1 274 31 31 HIS CA C 59.359 0.300 1 275 31 31 HIS HA H 4.162 0.030 1 276 31 31 HIS CB C 28.537 0.300 1 277 31 31 HIS HB3 H 3.119 0.030 2 278 31 31 HIS CD2 C 127.119 0.300 1 279 31 31 HIS HD2 H 6.918 0.030 1 280 31 31 HIS CE1 C 139.537 0.300 1 281 31 31 HIS HE1 H 8.015 0.030 1 282 31 31 HIS C C 176.216 0.300 1 283 31 31 HIS HB2 H 2.903 0.030 2 284 32 32 GLN N N 114.689 0.300 1 285 32 32 GLN H H 8.372 0.030 1 286 32 32 GLN CA C 59.351 0.300 1 287 32 32 GLN HA H 3.669 0.030 1 288 32 32 GLN CB C 28.390 0.300 1 289 32 32 GLN HB3 H 2.200 0.030 2 290 32 32 GLN CG C 35.586 0.300 1 291 32 32 GLN HG3 H 2.796 0.030 1 292 32 32 GLN NE2 N 112.509 0.300 1 293 32 32 GLN HE21 H 7.054 0.030 2 294 32 32 GLN HE22 H 7.568 0.030 2 295 32 32 GLN C C 177.432 0.300 1 296 32 32 GLN HB2 H 2.308 0.030 2 297 32 32 GLN HG2 H 2.796 0.030 1 298 33 33 ARG N N 117.675 0.300 1 299 33 33 ARG H H 7.199 0.030 1 300 33 33 ARG CA C 58.529 0.300 1 301 33 33 ARG HA H 4.128 0.030 1 302 33 33 ARG CB C 30.081 0.300 1 303 33 33 ARG HB3 H 1.774 0.030 2 304 33 33 ARG CG C 27.832 0.300 1 305 33 33 ARG HG3 H 1.652 0.030 2 306 33 33 ARG CD C 43.757 0.300 1 307 33 33 ARG HD3 H 3.175 0.030 1 308 33 33 ARG C C 178.711 0.300 1 309 33 33 ARG HB2 H 1.892 0.030 2 310 33 33 ARG HD2 H 3.175 0.030 1 311 33 33 ARG HG2 H 1.863 0.030 2 312 34 34 ILE N N 116.218 0.300 1 313 34 34 ILE H H 7.863 0.030 1 314 34 34 ILE CA C 63.114 0.300 1 315 34 34 ILE HA H 3.948 0.030 1 316 34 34 ILE CB C 37.777 0.300 1 317 34 34 ILE HB H 1.639 0.030 1 318 34 34 ILE CG1 C 26.732 0.300 1 319 34 34 ILE HG13 H 0.731 0.030 2 320 34 34 ILE CG2 C 14.572 0.300 1 321 34 34 ILE HG2 H 0.689 0.030 1 322 34 34 ILE CD1 C 16.540 0.300 1 323 34 34 ILE HD1 H 0.564 0.030 1 324 34 34 ILE C C 177.391 0.300 1 325 34 34 ILE HG12 H 0.901 0.030 2 326 35 35 HIS N N 117.652 0.300 1 327 35 35 HIS H H 7.196 0.030 1 328 35 35 HIS CA C 55.169 0.300 1 329 35 35 HIS HA H 4.838 0.030 1 330 35 35 HIS CB C 28.595 0.300 1 331 35 35 HIS HB3 H 3.217 0.030 2 332 35 35 HIS CD2 C 127.607 0.300 1 333 35 35 HIS HD2 H 6.740 0.030 1 334 35 35 HIS CE1 C 139.721 0.300 1 335 35 35 HIS HE1 H 8.031 0.030 1 336 35 35 HIS C C 175.849 0.300 1 337 35 35 HIS HB2 H 3.349 0.030 2 338 36 36 THR N N 111.767 0.300 1 339 36 36 THR H H 7.785 0.030 1 340 36 36 THR CA C 62.507 0.300 1 341 36 36 THR HA H 4.335 0.030 1 342 36 36 THR CB C 69.809 0.300 1 343 36 36 THR HB H 4.310 0.030 1 344 36 36 THR CG2 C 21.668 0.300 1 345 36 36 THR HG2 H 1.234 0.030 1 346 36 36 THR C C 175.513 0.300 1 347 37 37 GLY N N 110.668 0.300 1 348 37 37 GLY H H 8.239 0.030 1 349 37 37 GLY CA C 45.371 0.300 1 350 37 37 GLY HA3 H 3.945 0.030 2 351 37 37 GLY C C 174.036 0.300 1 352 37 37 GLY HA2 H 4.006 0.030 2 353 38 38 GLU N N 120.549 0.300 1 354 38 38 GLU H H 8.080 0.030 1 355 38 38 GLU CA C 56.482 0.300 1 356 38 38 GLU HA H 4.228 0.030 1 357 38 38 GLU CB C 30.588 0.300 1 358 38 38 GLU HB3 H 1.898 0.030 2 359 38 38 GLU CG C 36.279 0.300 1 360 38 38 GLU HG3 H 2.193 0.030 2 361 38 38 GLU C C 176.186 0.300 1 362 38 38 GLU HB2 H 1.974 0.030 2 363 38 38 GLU HG2 H 2.260 0.030 2 364 39 39 LYS N N 123.911 0.300 1 365 39 39 LYS H H 8.412 0.030 1 366 39 39 LYS CA C 54.143 0.300 1 367 39 39 LYS HA H 4.596 0.030 1 368 39 39 LYS CB C 32.571 0.300 1 369 39 39 LYS HB3 H 1.809 0.030 2 370 39 39 LYS CG C 24.659 0.300 1 371 39 39 LYS HG3 H 1.457 0.030 1 372 39 39 LYS CD C 29.222 0.300 1 373 39 39 LYS HD3 H 1.668 0.030 2 374 39 39 LYS CE C 42.057 0.300 1 375 39 39 LYS HE3 H 2.982 0.030 2 376 39 39 LYS C C 174.511 0.300 1 377 39 39 LYS HB2 H 1.714 0.030 2 378 39 39 LYS HD2 H 1.580 0.030 2 379 39 39 LYS HE2 H 2.886 0.030 2 380 39 39 LYS HG2 H 1.457 0.030 1 381 40 40 PRO CA C 63.232 0.300 1 382 40 40 PRO HA H 4.447 0.030 1 383 40 40 PRO CB C 32.194 0.300 1 384 40 40 PRO HB3 H 1.928 0.030 2 385 40 40 PRO CG C 27.441 0.300 1 386 40 40 PRO HG3 H 1.986 0.030 2 387 40 40 PRO CD C 50.718 0.300 1 388 40 40 PRO HD3 H 3.801 0.030 2 389 40 40 PRO HB2 H 2.293 0.030 2 390 40 40 PRO HD2 H 3.633 0.030 2 391 40 40 PRO HG2 H 2.017 0.030 2 stop_ save_