data_10151 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 887-919) of human Zinc finger protein 268 ; _BMRB_accession_number 10151 _BMRB_flat_file_name bmr10151.str _Entry_type original _Submission_date 2007-12-11 _Accession_date 2007-12-12 _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" 189 "13C chemical shifts" 136 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-11 original author . stop_ _Original_release_date 2008-12-11 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 887-919) of human Zinc finger protein 268 ; _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 268' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Zinc finger protein 268' $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 bond' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSGEKPYGCNECGK TFSQKSILSAHQRTHTGEKP 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 TYR 14 GLY 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 THR 22 PHE 23 SER 24 GLN 25 LYS 26 SER 27 ILE 28 LEU 29 SER 30 ALA 31 HIS 32 GLN 33 ARG 34 THR 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 2EN6 "Solution Structure Of The C2h2 Type Zinc Finger (Region 887- 919) Of Human Zinc Finger Protein 268" 100.00 46 100.00 100.00 6.04e-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 no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:58:51 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 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 P061225-04 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 'Zinc finger protein 268' _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 45.275 0.300 1 2 9 9 GLY HA3 H 3.928 0.030 1 3 9 9 GLY C C 174.122 0.300 1 4 9 9 GLY HA2 H 3.928 0.030 1 5 10 10 GLU N N 120.285 0.300 1 6 10 10 GLU H H 8.221 0.030 1 7 10 10 GLU CA C 56.848 0.300 1 8 10 10 GLU HA H 4.171 0.030 1 9 10 10 GLU CB C 30.334 0.300 1 10 10 10 GLU HB3 H 1.883 0.030 2 11 10 10 GLU CG C 36.261 0.300 1 12 10 10 GLU HG3 H 2.200 0.030 2 13 10 10 GLU C C 176.429 0.300 1 14 10 10 GLU HB2 H 1.977 0.030 2 15 10 10 GLU HG2 H 2.248 0.030 2 16 11 11 LYS N N 121.992 0.300 1 17 11 11 LYS H H 8.280 0.030 1 18 11 11 LYS CA C 53.934 0.300 1 19 11 11 LYS HA H 4.454 0.030 1 20 11 11 LYS CB C 32.677 0.300 1 21 11 11 LYS HB3 H 1.427 0.030 2 22 11 11 LYS CG C 24.872 0.300 1 23 11 11 LYS HG3 H 1.293 0.030 2 24 11 11 LYS CD C 29.397 0.300 1 25 11 11 LYS HD3 H 1.454 0.030 2 26 11 11 LYS CE C 42.147 0.300 1 27 11 11 LYS HE3 H 2.900 0.030 1 28 11 11 LYS C C 174.147 0.300 1 29 11 11 LYS HB2 H 1.555 0.030 2 30 11 11 LYS HD2 H 1.569 0.030 2 31 11 11 LYS HE2 H 2.900 0.030 1 32 11 11 LYS HG2 H 1.169 0.030 2 33 12 12 PRO CA C 63.503 0.300 1 34 12 12 PRO HA H 4.262 0.030 1 35 12 12 PRO CB C 32.320 0.300 1 36 12 12 PRO HB3 H 1.210 0.030 2 37 12 12 PRO CG C 26.564 0.300 1 38 12 12 PRO HG3 H 1.770 0.030 2 39 12 12 PRO CD C 50.251 0.300 1 40 12 12 PRO HD3 H 3.517 0.030 2 41 12 12 PRO C C 176.429 0.300 1 42 12 12 PRO HB2 H 1.989 0.030 2 43 12 12 PRO HD2 H 3.586 0.030 2 44 12 12 PRO HG2 H 1.491 0.030 2 45 13 13 TYR N N 118.187 0.300 1 46 13 13 TYR H H 7.892 0.030 1 47 13 13 TYR CA C 57.274 0.300 1 48 13 13 TYR HA H 4.663 0.030 1 49 13 13 TYR CB C 38.361 0.300 1 50 13 13 TYR HB3 H 2.987 0.030 2 51 13 13 TYR CD1 C 132.967 0.300 1 52 13 13 TYR HD1 H 6.998 0.030 1 53 13 13 TYR CD2 C 132.967 0.300 1 54 13 13 TYR HD2 H 6.998 0.030 1 55 13 13 TYR CE1 C 118.410 0.300 1 56 13 13 TYR HE1 H 6.864 0.030 1 57 13 13 TYR CE2 C 118.410 0.300 1 58 13 13 TYR HE2 H 6.864 0.030 1 59 13 13 TYR C C 175.189 0.300 1 60 13 13 TYR HB2 H 2.757 0.030 2 61 14 14 GLY N N 111.782 0.300 1 62 14 14 GLY H H 8.597 0.030 1 63 14 14 GLY CA C 44.676 0.300 1 64 14 14 GLY HA3 H 4.797 0.030 2 65 14 14 GLY C C 172.271 0.300 1 66 14 14 GLY HA2 H 3.615 0.030 2 67 15 15 CYS N N 123.965 0.300 1 68 15 15 CYS H H 8.968 0.030 1 69 15 15 CYS CA C 58.757 0.300 1 70 15 15 CYS HA H 4.630 0.030 1 71 15 15 CYS CB C 30.011 0.300 1 72 15 15 CYS HB3 H 3.424 0.030 2 73 15 15 CYS C C 176.914 0.300 1 74 15 15 CYS HB2 H 2.825 0.030 2 75 16 16 ASN N N 129.827 0.300 1 76 16 16 ASN H H 9.362 0.030 1 77 16 16 ASN CA C 55.380 0.300 1 78 16 16 ASN HA H 4.544 0.030 1 79 16 16 ASN CB C 38.240 0.300 1 80 16 16 ASN HB3 H 2.888 0.030 1 81 16 16 ASN ND2 N 113.109 0.300 1 82 16 16 ASN HD21 H 6.974 0.030 2 83 16 16 ASN HD22 H 7.683 0.030 2 84 16 16 ASN C C 175.456 0.300 1 85 16 16 ASN HB2 H 2.888 0.030 1 86 17 17 GLU N N 121.083 0.300 1 87 17 17 GLU H H 8.748 0.030 1 88 17 17 GLU CA C 58.345 0.300 1 89 17 17 GLU HA H 4.217 0.030 1 90 17 17 GLU CB C 29.773 0.300 1 91 17 17 GLU HB3 H 1.417 0.030 1 92 17 17 GLU CG C 35.729 0.300 1 93 17 17 GLU HG3 H 1.904 0.030 2 94 17 17 GLU C C 176.975 0.300 1 95 17 17 GLU HB2 H 1.417 0.030 1 96 17 17 GLU HG2 H 1.762 0.030 2 97 18 18 CYS N N 114.669 0.300 1 98 18 18 CYS H H 7.878 0.030 1 99 18 18 CYS CA C 58.313 0.300 1 100 18 18 CYS HA H 5.146 0.030 1 101 18 18 CYS CB C 32.383 0.300 1 102 18 18 CYS HB3 H 2.886 0.030 2 103 18 18 CYS C C 176.098 0.300 1 104 18 18 CYS HB2 H 3.420 0.030 2 105 19 19 GLY N N 112.778 0.300 1 106 19 19 GLY H H 8.223 0.030 1 107 19 19 GLY CA C 46.159 0.300 1 108 19 19 GLY HA3 H 4.206 0.030 2 109 19 19 GLY C C 174.359 0.300 1 110 19 19 GLY HA2 H 3.866 0.030 2 111 20 20 LYS N N 122.671 0.300 1 112 20 20 LYS H H 7.991 0.030 1 113 20 20 LYS CA C 57.994 0.300 1 114 20 20 LYS HA H 4.072 0.030 1 115 20 20 LYS CB C 34.147 0.300 1 116 20 20 LYS HB3 H 1.303 0.030 1 117 20 20 LYS CG C 26.764 0.300 1 118 20 20 LYS HG3 H 1.604 0.030 2 119 20 20 LYS CD C 29.325 0.300 1 120 20 20 LYS HD3 H 1.544 0.030 1 121 20 20 LYS CE C 42.258 0.300 1 122 20 20 LYS HE3 H 2.996 0.030 1 123 20 20 LYS C C 174.631 0.300 1 124 20 20 LYS HB2 H 1.303 0.030 1 125 20 20 LYS HD2 H 1.544 0.030 1 126 20 20 LYS HE2 H 2.996 0.030 1 127 20 20 LYS HG2 H 1.254 0.030 2 128 21 21 THR N N 109.348 0.300 1 129 21 21 THR H H 7.448 0.030 1 130 21 21 THR CA C 59.261 0.300 1 131 21 21 THR HA H 4.996 0.030 1 132 21 21 THR CB C 71.388 0.300 1 133 21 21 THR HB H 3.952 0.030 1 134 21 21 THR CG2 C 21.893 0.300 1 135 21 21 THR HG2 H 1.024 0.030 1 136 21 21 THR C C 173.342 0.300 1 137 22 22 PHE N N 116.768 0.300 1 138 22 22 PHE H H 8.559 0.030 1 139 22 22 PHE CA C 57.038 0.300 1 140 22 22 PHE HA H 4.860 0.030 1 141 22 22 PHE CB C 43.966 0.300 1 142 22 22 PHE HB3 H 3.283 0.030 2 143 22 22 PHE CD1 C 132.756 0.300 1 144 22 22 PHE HD1 H 7.244 0.030 1 145 22 22 PHE CD2 C 132.756 0.300 1 146 22 22 PHE HD2 H 7.244 0.030 1 147 22 22 PHE CE1 C 130.397 0.300 1 148 22 22 PHE HE1 H 6.786 0.030 1 149 22 22 PHE CE2 C 130.397 0.300 1 150 22 22 PHE HE2 H 6.786 0.030 1 151 22 22 PHE CZ C 128.644 0.300 1 152 22 22 PHE HZ H 5.959 0.030 1 153 22 22 PHE C C 175.846 0.300 1 154 22 22 PHE HB2 H 2.646 0.030 2 155 23 23 SER N N 115.194 0.300 1 156 23 23 SER H H 9.413 0.030 1 157 23 23 SER CA C 60.308 0.300 1 158 23 23 SER HA H 4.613 0.030 1 159 23 23 SER CB C 64.352 0.300 1 160 23 23 SER HB3 H 4.038 0.030 2 161 23 23 SER C C 174.181 0.300 1 162 23 23 SER HB2 H 4.153 0.030 2 163 24 24 GLN N N 115.115 0.300 1 164 24 24 GLN H H 7.028 0.030 1 165 24 24 GLN CA C 54.225 0.300 1 166 24 24 GLN HA H 4.827 0.030 1 167 24 24 GLN CB C 33.411 0.300 1 168 24 24 GLN HB3 H 2.467 0.030 1 169 24 24 GLN CG C 33.217 0.300 1 170 24 24 GLN HG3 H 1.687 0.030 2 171 24 24 GLN NE2 N 111.893 0.300 1 172 24 24 GLN HE21 H 6.915 0.030 2 173 24 24 GLN HE22 H 7.490 0.030 2 174 24 24 GLN C C 175.822 0.300 1 175 24 24 GLN HB2 H 2.467 0.030 1 176 24 24 GLN HG2 H 2.310 0.030 2 177 25 25 LYS N N 126.960 0.300 1 178 25 25 LYS H H 8.655 0.030 1 179 25 25 LYS CA C 59.663 0.300 1 180 25 25 LYS HA H 3.181 0.030 1 181 25 25 LYS CB C 31.726 0.300 1 182 25 25 LYS HB3 H 1.559 0.030 2 183 25 25 LYS CG C 25.051 0.300 1 184 25 25 LYS HG3 H 0.996 0.030 2 185 25 25 LYS CD C 29.061 0.300 1 186 25 25 LYS HD3 H 1.525 0.030 2 187 25 25 LYS CE C 42.151 0.300 1 188 25 25 LYS HE3 H 2.895 0.030 1 189 25 25 LYS C C 178.371 0.300 1 190 25 25 LYS HB2 H 1.259 0.030 2 191 25 25 LYS HD2 H 1.587 0.030 2 192 25 25 LYS HE2 H 2.895 0.030 1 193 25 25 LYS HG2 H 1.081 0.030 2 194 26 26 SER CA C 60.933 0.300 1 195 26 26 SER HA H 4.054 0.030 1 196 26 26 SER CB C 61.498 0.300 1 197 26 26 SER HB3 H 3.821 0.030 2 198 26 26 SER C C 176.882 0.300 1 199 26 26 SER HB2 H 3.864 0.030 2 200 27 27 ILE N N 123.952 0.300 1 201 27 27 ILE H H 6.655 0.030 1 202 27 27 ILE CA C 63.774 0.300 1 203 27 27 ILE HA H 3.765 0.030 1 204 27 27 ILE CB C 38.081 0.300 1 205 27 27 ILE HB H 1.860 0.030 1 206 27 27 ILE CG1 C 28.433 0.300 1 207 27 27 ILE HG13 H 1.114 0.030 2 208 27 27 ILE CG2 C 18.664 0.300 1 209 27 27 ILE HG2 H 1.018 0.030 1 210 27 27 ILE CD1 C 12.615 0.300 1 211 27 27 ILE HD1 H 0.927 0.030 1 212 27 27 ILE C C 178.456 0.300 1 213 27 27 ILE HG12 H 1.591 0.030 2 214 28 28 LEU N N 122.282 0.300 1 215 28 28 LEU H H 7.190 0.030 1 216 28 28 LEU CA C 58.277 0.300 1 217 28 28 LEU HA H 3.322 0.030 1 218 28 28 LEU CB C 40.085 0.300 1 219 28 28 LEU HB3 H 1.989 0.030 2 220 28 28 LEU CG C 27.674 0.300 1 221 28 28 LEU HG H 1.483 0.030 1 222 28 28 LEU CD1 C 22.972 0.300 2 223 28 28 LEU HD1 H 0.976 0.030 1 224 28 28 LEU CD2 C 26.781 0.300 2 225 28 28 LEU HD2 H 0.982 0.030 1 226 28 28 LEU C C 178.134 0.300 1 227 28 28 LEU HB2 H 1.328 0.030 2 228 29 29 SER N N 114.752 0.300 1 229 29 29 SER H H 8.638 0.030 1 230 29 29 SER CA C 61.900 0.300 1 231 29 29 SER HA H 4.264 0.030 1 232 29 29 SER CB C 62.385 0.300 1 233 29 29 SER HB3 H 3.844 0.030 1 234 29 29 SER C C 176.967 0.300 1 235 29 29 SER HB2 H 3.844 0.030 1 236 30 30 ALA N N 122.806 0.300 1 237 30 30 ALA H H 7.393 0.030 1 238 30 30 ALA CA C 55.041 0.300 1 239 30 30 ALA HA H 4.023 0.030 1 240 30 30 ALA CB C 17.887 0.300 1 241 30 30 ALA HB H 1.409 0.030 1 242 30 30 ALA C C 180.298 0.300 1 243 31 31 HIS N N 118.698 0.300 1 244 31 31 HIS H H 7.914 0.030 1 245 31 31 HIS CA C 59.052 0.300 1 246 31 31 HIS HA H 4.208 0.030 1 247 31 31 HIS CB C 27.517 0.300 1 248 31 31 HIS HB3 H 3.119 0.030 2 249 31 31 HIS CD2 C 127.257 0.300 1 250 31 31 HIS HD2 H 6.852 0.030 1 251 31 31 HIS CE1 C 139.429 0.300 1 252 31 31 HIS HE1 H 7.996 0.030 1 253 31 31 HIS C C 178.351 0.300 1 254 31 31 HIS HB2 H 2.723 0.030 2 255 32 32 GLN N N 120.686 0.300 1 256 32 32 GLN H H 8.890 0.030 1 257 32 32 GLN CA C 59.965 0.300 1 258 32 32 GLN HA H 3.709 0.030 1 259 32 32 GLN CB C 28.290 0.300 1 260 32 32 GLN HB3 H 2.202 0.030 2 261 32 32 GLN CG C 35.719 0.300 1 262 32 32 GLN HG3 H 2.792 0.030 1 263 32 32 GLN NE2 N 113.005 0.300 1 264 32 32 GLN HE21 H 7.074 0.030 2 265 32 32 GLN HE22 H 7.681 0.030 2 266 32 32 GLN C C 178.061 0.300 1 267 32 32 GLN HB2 H 2.361 0.030 2 268 32 32 GLN HG2 H 2.792 0.030 1 269 33 33 ARG N N 117.052 0.300 1 270 33 33 ARG H H 7.224 0.030 1 271 33 33 ARG CA C 58.375 0.300 1 272 33 33 ARG HA H 4.174 0.030 1 273 33 33 ARG CB C 29.947 0.300 1 274 33 33 ARG HB3 H 1.851 0.030 2 275 33 33 ARG CG C 27.885 0.300 1 276 33 33 ARG HG3 H 1.658 0.030 2 277 33 33 ARG CD C 43.406 0.300 1 278 33 33 ARG HD3 H 3.190 0.030 1 279 33 33 ARG C C 178.118 0.300 1 280 33 33 ARG HB2 H 1.913 0.030 2 281 33 33 ARG HD2 H 3.190 0.030 1 282 33 33 ARG HG2 H 1.848 0.030 2 283 34 34 THR N N 109.534 0.300 1 284 34 34 THR H H 7.712 0.030 1 285 34 34 THR CA C 63.776 0.300 1 286 34 34 THR HA H 4.151 0.030 1 287 34 34 THR CB C 69.225 0.300 1 288 34 34 THR HB H 4.052 0.030 1 289 34 34 THR CG2 C 20.960 0.300 1 290 34 34 THR HG2 H 1.157 0.030 1 291 34 34 THR C C 175.617 0.300 1 292 35 35 HIS N N 118.842 0.300 1 293 35 35 HIS H H 7.161 0.030 1 294 35 35 HIS CA C 55.580 0.300 1 295 35 35 HIS HA H 4.870 0.030 1 296 35 35 HIS CB C 28.690 0.300 1 297 35 35 HIS HB3 H 3.292 0.030 2 298 35 35 HIS CD2 C 127.052 0.300 1 299 35 35 HIS HD2 H 6.659 0.030 1 300 35 35 HIS CE1 C 139.699 0.300 1 301 35 35 HIS HE1 H 7.991 0.030 1 302 35 35 HIS C C 175.646 0.300 1 303 35 35 HIS HB2 H 3.198 0.030 2 304 36 36 THR N N 112.395 0.300 1 305 36 36 THR H H 7.833 0.030 1 306 36 36 THR CA C 62.278 0.300 1 307 36 36 THR HA H 4.358 0.030 1 308 36 36 THR CB C 69.765 0.300 1 309 36 36 THR HB H 4.315 0.030 1 310 36 36 THR CG2 C 21.581 0.300 1 311 36 36 THR HG2 H 1.221 0.030 1 312 36 36 THR C C 175.309 0.300 1 313 37 37 GLY N N 110.931 0.300 1 314 37 37 GLY H H 8.319 0.030 1 315 37 37 GLY CA C 45.329 0.300 1 316 37 37 GLY HA3 H 3.949 0.030 2 317 37 37 GLY C C 174.050 0.300 1 318 37 37 GLY HA2 H 4.011 0.030 2 319 38 38 GLU N N 120.677 0.300 1 320 38 38 GLU H H 8.142 0.030 1 321 38 38 GLU CA C 56.428 0.300 1 322 38 38 GLU HA H 4.236 0.030 1 323 38 38 GLU CB C 30.536 0.300 1 324 38 38 GLU HB3 H 1.895 0.030 2 325 38 38 GLU CG C 36.265 0.300 1 326 38 38 GLU HG3 H 2.198 0.030 2 327 38 38 GLU C C 176.283 0.300 1 328 38 38 GLU HB2 H 1.983 0.030 2 329 38 38 GLU HG2 H 2.251 0.030 2 330 39 39 LYS N N 123.903 0.300 1 331 39 39 LYS H H 8.440 0.030 1 332 39 39 LYS CA C 54.128 0.300 1 333 39 39 LYS HA H 4.602 0.030 1 334 39 39 LYS CB C 32.498 0.300 1 335 39 39 LYS HB3 H 1.719 0.030 2 336 39 39 LYS CG C 24.514 0.300 1 337 39 39 LYS HG3 H 1.455 0.030 1 338 39 39 LYS CD C 29.178 0.300 1 339 39 39 LYS HD3 H 1.675 0.030 1 340 39 39 LYS CE C 42.186 0.300 1 341 39 39 LYS C C 174.462 0.300 1 342 39 39 LYS HB2 H 1.811 0.030 2 343 39 39 LYS HD2 H 1.675 0.030 1 344 39 39 LYS HE2 H 2.973 0.030 2 345 39 39 LYS HG2 H 1.455 0.030 1 346 40 40 PRO CA C 63.208 0.300 1 347 40 40 PRO HA H 4.456 0.030 1 348 40 40 PRO CB C 32.188 0.300 1 349 40 40 PRO HB3 H 1.929 0.030 2 350 40 40 PRO CG C 27.323 0.300 1 351 40 40 PRO HG3 H 1.999 0.030 1 352 40 40 PRO CD C 50.675 0.300 1 353 40 40 PRO HD3 H 3.634 0.030 2 354 40 40 PRO HB2 H 2.297 0.030 2 355 40 40 PRO HD2 H 3.812 0.030 2 356 40 40 PRO HG2 H 1.999 0.030 1 stop_ save_