data_10176 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 696-728) of human Zinc finger protein 28 homolog ; _BMRB_accession_number 10176 _BMRB_flat_file_name bmr10176.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" 193 "13C chemical shifts" 139 "15N chemical shifts" 32 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 696-728) 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 ; GSSGSSGTGEKPYKCMECGK AFGDNSSCTQHQRLHTGQRP 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 MET 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 GLY 24 ASP 25 ASN 26 SER 27 SER 28 CYS 29 THR 30 GLN 31 HIS 32 GLN 33 ARG 34 LEU 35 HIS 36 THR 37 GLY 38 GLN 39 ARG 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 2YTM "Solution Structure Of The C2h2 Type Zinc Finger (Region 696- 728) Of Human Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 3.40e-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 P061225-35 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 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 45.411 0.300 1 2 7 7 GLY HA2 H 4.041 0.030 1 3 7 7 GLY HA3 H 4.041 0.030 1 4 7 7 GLY C C 174.569 0.300 1 5 8 8 THR N N 112.805 0.300 1 6 8 8 THR H H 8.148 0.030 1 7 8 8 THR CA C 61.937 0.300 1 8 8 8 THR HA H 4.368 0.030 1 9 8 8 THR CB C 69.797 0.300 1 10 8 8 THR HB H 4.309 0.030 1 11 8 8 THR CG2 C 21.566 0.300 1 12 8 8 THR HG2 H 1.194 0.030 1 13 8 8 THR C C 175.281 0.300 1 14 9 9 GLY N N 111.033 0.300 1 15 9 9 GLY H H 8.450 0.030 1 16 9 9 GLY CA C 45.415 0.300 1 17 9 9 GLY HA2 H 3.959 0.030 1 18 9 9 GLY HA3 H 3.959 0.030 1 19 9 9 GLY C C 174.015 0.300 1 20 10 10 GLU N N 120.268 0.300 1 21 10 10 GLU H H 8.220 0.030 1 22 10 10 GLU CA C 56.694 0.300 1 23 10 10 GLU HA H 4.210 0.030 1 24 10 10 GLU CB C 30.530 0.300 1 25 10 10 GLU HB2 H 1.979 0.030 2 26 10 10 GLU HB3 H 1.888 0.030 2 27 10 10 GLU CG C 36.228 0.300 1 28 10 10 GLU HG2 H 2.204 0.030 1 29 10 10 GLU HG3 H 2.204 0.030 1 30 10 10 GLU C C 176.497 0.300 1 31 11 11 LYS N N 122.135 0.300 1 32 11 11 LYS H H 8.387 0.030 1 33 11 11 LYS CA C 53.918 0.300 1 34 11 11 LYS HA H 4.555 0.030 1 35 11 11 LYS CB C 33.223 0.300 1 36 11 11 LYS HB2 H 1.579 0.030 2 37 11 11 LYS HB3 H 1.425 0.030 2 38 11 11 LYS CG C 24.944 0.300 1 39 11 11 LYS HG2 H 1.130 0.030 2 40 11 11 LYS HG3 H 1.340 0.030 2 41 11 11 LYS CD C 29.551 0.300 1 42 11 11 LYS HD2 H 1.475 0.030 1 43 11 11 LYS HD3 H 1.475 0.030 1 44 11 11 LYS CE C 42.327 0.300 1 45 11 11 LYS HE2 H 2.910 0.030 1 46 11 11 LYS HE3 H 2.910 0.030 1 47 11 11 LYS C C 174.096 0.300 1 48 12 12 PRO CA C 63.645 0.300 1 49 12 12 PRO HA H 4.298 0.030 1 50 12 12 PRO CB C 32.332 0.300 1 51 12 12 PRO HB2 H 1.281 0.030 2 52 12 12 PRO HB3 H 2.034 0.030 2 53 12 12 PRO CG C 26.589 0.300 1 54 12 12 PRO HG2 H 1.820 0.030 2 55 12 12 PRO HG3 H 1.577 0.030 2 56 12 12 PRO CD C 50.330 0.300 1 57 12 12 PRO HD2 H 3.661 0.030 1 58 12 12 PRO HD3 H 3.661 0.030 1 59 12 12 PRO C C 176.462 0.300 1 60 13 13 TYR N N 118.803 0.300 1 61 13 13 TYR H H 7.796 0.030 1 62 13 13 TYR CA C 57.652 0.300 1 63 13 13 TYR HA H 4.640 0.030 1 64 13 13 TYR CB C 38.399 0.300 1 65 13 13 TYR HB2 H 3.042 0.030 2 66 13 13 TYR HB3 H 2.731 0.030 2 67 13 13 TYR CD1 C 133.266 0.300 1 68 13 13 TYR HD1 H 6.988 0.030 1 69 13 13 TYR CD2 C 133.266 0.300 1 70 13 13 TYR HD2 H 6.988 0.030 1 71 13 13 TYR CE1 C 118.127 0.300 1 72 13 13 TYR HE1 H 6.843 0.030 1 73 13 13 TYR CE2 C 118.127 0.300 1 74 13 13 TYR HE2 H 6.843 0.030 1 75 13 13 TYR C C 174.480 0.300 1 76 14 14 LYS N N 123.448 0.300 1 77 14 14 LYS H H 8.515 0.030 1 78 14 14 LYS CA C 54.743 0.300 1 79 14 14 LYS HA H 5.139 0.030 1 80 14 14 LYS CB C 35.330 0.300 1 81 14 14 LYS HB2 H 1.581 0.030 1 82 14 14 LYS HB3 H 1.581 0.030 1 83 14 14 LYS CG C 24.945 0.300 1 84 14 14 LYS HG2 H 1.226 0.030 1 85 14 14 LYS HG3 H 1.226 0.030 1 86 14 14 LYS CD C 29.342 0.300 1 87 14 14 LYS HD2 H 1.586 0.030 1 88 14 14 LYS HD3 H 1.586 0.030 1 89 14 14 LYS CE C 42.136 0.300 1 90 14 14 LYS HE2 H 2.931 0.030 1 91 14 14 LYS HE3 H 2.931 0.030 1 92 14 14 LYS C C 175.781 0.300 1 93 15 15 CYS N N 126.149 0.300 1 94 15 15 CYS H H 9.206 0.030 1 95 15 15 CYS CA C 59.419 0.300 1 96 15 15 CYS HA H 4.452 0.030 1 97 15 15 CYS CB C 30.193 0.300 1 98 15 15 CYS HB2 H 3.048 0.030 2 99 15 15 CYS HB3 H 3.422 0.030 2 100 15 15 CYS C C 177.815 0.300 1 101 16 16 MET N N 130.364 0.300 1 102 16 16 MET H H 9.109 0.030 1 103 16 16 MET CA C 57.294 0.300 1 104 16 16 MET HA H 4.344 0.030 1 105 16 16 MET CB C 32.125 0.300 1 106 16 16 MET HB2 H 2.149 0.030 1 107 16 16 MET HB3 H 2.149 0.030 1 108 16 16 MET CG C 32.247 0.300 1 109 16 16 MET HG2 H 2.783 0.030 2 110 16 16 MET HG3 H 2.649 0.030 2 111 16 16 MET CE C 16.893 0.300 1 112 16 16 MET HE H 2.127 0.030 1 113 16 16 MET C C 176.516 0.300 1 114 17 17 GLU N N 121.077 0.300 1 115 17 17 GLU H H 8.854 0.030 1 116 17 17 GLU CA C 58.171 0.300 1 117 17 17 GLU HA H 4.262 0.030 1 118 17 17 GLU CB C 29.895 0.300 1 119 17 17 GLU HB2 H 1.440 0.030 2 120 17 17 GLU HB3 H 1.382 0.030 2 121 17 17 GLU CG C 35.333 0.300 1 122 17 17 GLU HG2 H 1.876 0.030 2 123 17 17 GLU HG3 H 1.764 0.030 2 124 17 17 GLU C C 177.191 0.300 1 125 18 18 CYS N N 115.700 0.300 1 126 18 18 CYS H H 8.241 0.030 1 127 18 18 CYS CA C 58.418 0.300 1 128 18 18 CYS HA H 5.154 0.030 1 129 18 18 CYS CB C 32.494 0.300 1 130 18 18 CYS HB2 H 2.802 0.030 2 131 18 18 CYS HB3 H 3.446 0.030 2 132 18 18 CYS C C 176.450 0.300 1 133 19 19 GLY N N 113.303 0.300 1 134 19 19 GLY H H 8.052 0.030 1 135 19 19 GLY CA C 46.231 0.300 1 136 19 19 GLY HA2 H 3.797 0.030 2 137 19 19 GLY HA3 H 4.246 0.030 2 138 19 19 GLY C C 173.412 0.300 1 139 20 20 LYS N N 123.674 0.300 1 140 20 20 LYS H H 8.067 0.030 1 141 20 20 LYS CA C 58.381 0.300 1 142 20 20 LYS HA H 3.928 0.030 1 143 20 20 LYS CB C 33.713 0.300 1 144 20 20 LYS HB2 H 1.202 0.030 2 145 20 20 LYS HB3 H 1.601 0.030 2 146 20 20 LYS CG C 25.795 0.300 1 147 20 20 LYS HG2 H 1.292 0.030 2 148 20 20 LYS HG3 H 0.884 0.030 2 149 20 20 LYS CD C 29.383 0.300 1 150 20 20 LYS HD2 H 1.484 0.030 2 151 20 20 LYS HD3 H 1.295 0.030 2 152 20 20 LYS CE C 42.071 0.300 1 153 20 20 LYS HE2 H 2.915 0.030 2 154 20 20 LYS HE3 H 2.802 0.030 2 155 20 20 LYS C C 173.631 0.300 1 156 21 21 ALA N N 125.402 0.300 1 157 21 21 ALA H H 7.887 0.030 1 158 21 21 ALA CA C 50.759 0.300 1 159 21 21 ALA HA H 5.081 0.030 1 160 21 21 ALA CB C 21.883 0.300 1 161 21 21 ALA HB H 1.284 0.030 1 162 21 21 ALA C C 176.527 0.300 1 163 22 22 PHE N N 117.170 0.300 1 164 22 22 PHE H H 8.990 0.030 1 165 22 22 PHE CA C 57.350 0.300 1 166 22 22 PHE HA H 4.659 0.030 1 167 22 22 PHE CB C 44.390 0.300 1 168 22 22 PHE HB2 H 3.400 0.030 2 169 22 22 PHE HB3 H 2.773 0.030 2 170 22 22 PHE CD1 C 132.345 0.300 1 171 22 22 PHE HD1 H 7.236 0.030 1 172 22 22 PHE CD2 C 132.345 0.300 1 173 22 22 PHE HD2 H 7.236 0.030 1 174 22 22 PHE CE1 C 130.796 0.300 1 175 22 22 PHE HE1 H 6.895 0.030 1 176 22 22 PHE CE2 C 130.796 0.300 1 177 22 22 PHE HE2 H 6.895 0.030 1 178 22 22 PHE CZ C 128.719 0.300 1 179 22 22 PHE HZ H 6.219 0.030 1 180 22 22 PHE C C 175.725 0.300 1 181 23 23 GLY N N 107.188 0.300 1 182 23 23 GLY H H 9.268 0.030 1 183 23 23 GLY CA C 46.079 0.300 1 184 23 23 GLY HA2 H 4.077 0.030 2 185 23 23 GLY HA3 H 4.414 0.030 2 186 23 23 GLY C C 172.890 0.300 1 187 24 24 ASP N N 114.453 0.300 1 188 24 24 ASP H H 7.507 0.030 1 189 24 24 ASP CA C 52.483 0.300 1 190 24 24 ASP HA H 4.760 0.030 1 191 24 24 ASP CB C 43.786 0.300 1 192 24 24 ASP HB2 H 2.755 0.030 1 193 24 24 ASP HB3 H 2.755 0.030 1 194 24 24 ASP C C 174.172 0.300 1 195 25 25 ASN N N 119.702 0.300 1 196 25 25 ASN H H 8.385 0.030 1 197 25 25 ASN CA C 55.536 0.300 1 198 25 25 ASN HA H 3.715 0.030 1 199 25 25 ASN CB C 38.986 0.300 1 200 25 25 ASN HB2 H 2.380 0.030 2 201 25 25 ASN HB3 H 1.987 0.030 2 202 25 25 ASN ND2 N 111.951 0.300 1 203 25 25 ASN HD21 H 6.836 0.030 2 204 25 25 ASN HD22 H 7.345 0.030 2 205 25 25 ASN C C 177.693 0.300 1 206 26 26 SER CA C 61.855 0.300 1 207 26 26 SER HA H 4.021 0.030 1 208 26 26 SER CB C 62.050 0.300 1 209 26 26 SER HB2 H 3.856 0.030 1 210 26 26 SER HB3 H 3.856 0.030 1 211 26 26 SER C C 177.134 0.300 1 212 27 27 SER N N 118.698 0.300 1 213 27 27 SER H H 8.647 0.030 1 214 27 27 SER CA C 61.907 0.300 1 215 27 27 SER HA H 4.100 0.030 1 216 27 27 SER CB C 62.115 0.300 1 217 27 27 SER HB2 H 3.889 0.030 2 218 27 27 SER HB3 H 3.858 0.030 2 219 27 27 SER C C 176.423 0.300 1 220 28 28 CYS N N 122.742 0.300 1 221 28 28 CYS H H 6.956 0.030 1 222 28 28 CYS CA C 61.820 0.300 1 223 28 28 CYS HA H 2.705 0.030 1 224 28 28 CYS CB C 26.539 0.300 1 225 28 28 CYS HB2 H 2.421 0.030 2 226 28 28 CYS HB3 H 3.116 0.030 2 227 28 28 CYS C C 175.832 0.300 1 228 29 29 THR N N 115.897 0.300 1 229 29 29 THR H H 8.427 0.030 1 230 29 29 THR CA C 66.778 0.300 1 231 29 29 THR HA H 3.884 0.030 1 232 29 29 THR CB C 68.701 0.300 1 233 29 29 THR HB H 4.199 0.030 1 234 29 29 THR CG2 C 21.566 0.300 1 235 29 29 THR HG2 H 1.194 0.030 1 236 29 29 THR C C 177.027 0.300 1 237 30 30 GLN N N 120.743 0.300 1 238 30 30 GLN H H 8.083 0.030 1 239 30 30 GLN CA C 58.996 0.300 1 240 30 30 GLN HA H 3.908 0.030 1 241 30 30 GLN CB C 28.430 0.300 1 242 30 30 GLN HB2 H 2.015 0.030 1 243 30 30 GLN HB3 H 2.015 0.030 1 244 30 30 GLN CG C 33.816 0.300 1 245 30 30 GLN HG2 H 2.344 0.030 2 246 30 30 GLN HG3 H 2.417 0.030 2 247 30 30 GLN C C 178.340 0.300 1 248 31 31 HIS N N 118.530 0.300 1 249 31 31 HIS H H 7.436 0.030 1 250 31 31 HIS CA C 59.161 0.300 1 251 31 31 HIS HA H 4.186 0.030 1 252 31 31 HIS CB C 28.230 0.300 1 253 31 31 HIS HB2 H 3.092 0.030 2 254 31 31 HIS HB3 H 2.967 0.030 2 255 31 31 HIS CD2 C 128.284 0.300 1 256 31 31 HIS HD2 H 7.131 0.030 1 257 31 31 HIS CE1 C 139.088 0.300 1 258 31 31 HIS HE1 H 8.003 0.030 1 259 31 31 HIS C C 176.587 0.300 1 260 32 32 GLN N N 117.813 0.300 1 261 32 32 GLN H H 8.384 0.030 1 262 32 32 GLN CA C 59.325 0.300 1 263 32 32 GLN HA H 3.895 0.030 1 264 32 32 GLN CB C 28.890 0.300 1 265 32 32 GLN HB2 H 2.381 0.030 2 266 32 32 GLN HB3 H 2.298 0.030 2 267 32 32 GLN CG C 35.331 0.300 1 268 32 32 GLN HG2 H 3.013 0.030 2 269 32 32 GLN HG3 H 2.940 0.030 2 270 32 32 GLN NE2 N 112.934 0.300 1 271 32 32 GLN HE21 H 7.110 0.030 2 272 32 32 GLN HE22 H 7.503 0.030 2 273 32 32 GLN C C 178.421 0.300 1 274 33 33 ARG N N 117.148 0.300 1 275 33 33 ARG H H 7.394 0.030 1 276 33 33 ARG CA C 58.234 0.300 1 277 33 33 ARG HA H 4.123 0.030 1 278 33 33 ARG CB C 29.993 0.300 1 279 33 33 ARG HB2 H 1.883 0.030 2 280 33 33 ARG HB3 H 1.834 0.030 2 281 33 33 ARG CG C 27.551 0.300 1 282 33 33 ARG HG2 H 1.709 0.030 2 283 33 33 ARG HG3 H 1.801 0.030 2 284 33 33 ARG CD C 43.555 0.300 1 285 33 33 ARG HD2 H 3.170 0.030 1 286 33 33 ARG HD3 H 3.170 0.030 1 287 33 33 ARG C C 177.784 0.300 1 288 34 34 LEU N N 118.313 0.300 1 289 34 34 LEU H H 7.675 0.030 1 290 34 34 LEU CA C 56.303 0.300 1 291 34 34 LEU HA H 4.058 0.030 1 292 34 34 LEU CB C 41.324 0.300 1 293 34 34 LEU HB2 H 1.411 0.030 2 294 34 34 LEU HB3 H 1.236 0.030 2 295 34 34 LEU CG C 26.695 0.300 1 296 34 34 LEU HG H 1.627 0.030 1 297 34 34 LEU CD1 C 25.121 0.300 2 298 34 34 LEU HD1 H 0.828 0.030 1 299 34 34 LEU CD2 C 22.879 0.300 2 300 34 34 LEU HD2 H 0.766 0.030 1 301 34 34 LEU C C 178.808 0.300 1 302 35 35 HIS N N 115.638 0.300 1 303 35 35 HIS H H 7.266 0.030 1 304 35 35 HIS CA C 56.022 0.300 1 305 35 35 HIS HA H 4.712 0.030 1 306 35 35 HIS CB C 28.540 0.300 1 307 35 35 HIS HB2 H 3.305 0.030 2 308 35 35 HIS HB3 H 3.216 0.030 2 309 35 35 HIS CD2 C 127.778 0.300 1 310 35 35 HIS HD2 H 6.844 0.030 1 311 35 35 HIS CE1 C 140.108 0.300 1 312 35 35 HIS HE1 H 8.067 0.030 1 313 35 35 HIS C C 175.711 0.300 1 314 36 36 THR N N 112.637 0.300 1 315 36 36 THR H H 7.882 0.030 1 316 36 36 THR CA C 62.455 0.300 1 317 36 36 THR HA H 4.359 0.030 1 318 36 36 THR CB C 69.921 0.300 1 319 36 36 THR HB H 4.321 0.030 1 320 36 36 THR CG2 C 21.604 0.300 1 321 36 36 THR HG2 H 1.247 0.030 1 322 36 36 THR C C 175.355 0.300 1 323 37 37 GLY N N 110.846 0.300 1 324 37 37 GLY H H 8.350 0.030 1 325 37 37 GLY CA C 45.411 0.300 1 326 37 37 GLY HA2 H 4.005 0.030 1 327 37 37 GLY HA3 H 4.005 0.030 1 328 37 37 GLY C C 174.062 0.300 1 329 38 38 GLN N N 119.605 0.300 1 330 38 38 GLN H H 8.139 0.030 1 331 38 38 GLN CA C 55.660 0.300 1 332 38 38 GLN HA H 4.330 0.030 1 333 38 38 GLN CB C 29.565 0.300 1 334 38 38 GLN HB2 H 2.085 0.030 2 335 38 38 GLN HB3 H 1.962 0.030 2 336 38 38 GLN CG C 33.814 0.300 1 337 38 38 GLN HG2 H 2.344 0.030 1 338 38 38 GLN HG3 H 2.344 0.030 1 339 38 38 GLN C C 175.790 0.300 1 340 39 39 ARG N N 123.670 0.300 1 341 39 39 ARG H H 8.405 0.030 1 342 39 39 ARG CA C 54.074 0.300 1 343 39 39 ARG HA H 4.624 0.030 1 344 39 39 ARG CB C 30.193 0.300 1 345 39 39 ARG HB2 H 1.849 0.030 2 346 39 39 ARG HB3 H 1.746 0.030 2 347 39 39 ARG CG C 26.755 0.300 1 348 39 39 ARG HG2 H 1.681 0.030 1 349 39 39 ARG HG3 H 1.681 0.030 1 350 39 39 ARG CD C 43.371 0.300 1 351 39 39 ARG HD2 H 3.209 0.030 1 352 39 39 ARG HD3 H 3.209 0.030 1 353 39 39 ARG C C 174.276 0.300 1 354 40 40 PRO CA C 63.263 0.300 1 355 40 40 PRO HA H 4.475 0.030 1 356 40 40 PRO CB C 32.130 0.300 1 357 40 40 PRO HB2 H 2.313 0.030 2 358 40 40 PRO HB3 H 1.945 0.030 2 359 40 40 PRO CG C 27.298 0.300 1 360 40 40 PRO HG2 H 2.019 0.030 1 361 40 40 PRO HG3 H 2.019 0.030 1 362 40 40 PRO CD C 50.691 0.300 1 363 40 40 PRO HD2 H 3.816 0.030 2 364 40 40 PRO HD3 H 3.637 0.030 2 stop_ save_