data_10191 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 719-751) of human Zinc finger protein 268 ; _BMRB_accession_number 10191 _BMRB_flat_file_name bmr10191.str _Entry_type original _Submission_date 2008-02-19 _Accession_date 2008-02-19 _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" 214 "13C chemical shifts" 158 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-27 original author . stop_ _Original_release_date 2009-02-27 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 719-751) 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 'zf-C2H2, UNP residues 719-751' $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, UNP residues 719-751' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPHECRECGK SFSFNSQLIVHQRIHTGENP 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 HIS 14 GLU 15 CYS 16 ARG 17 GLU 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 SER 24 PHE 25 ASN 26 SER 27 GLN 28 LEU 29 ILE 30 VAL 31 HIS 32 GLN 33 ARG 34 ILE 35 HIS 36 THR 37 GLY 38 GLU 39 ASN 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 2EOP "Solution Structure Of The C2h2 Type Zinc Finger (Region 719- 751) Of Human Zinc Finger Protein 268" 100.00 46 100.00 100.00 8.26e-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 P061218-17 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 700 _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, UNP residues 719-751' _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 8 8 THR CA C 61.809 0.300 1 2 8 8 THR HA H 4.339 0.030 1 3 8 8 THR CB C 69.833 0.300 1 4 8 8 THR HB H 4.267 0.030 1 5 8 8 THR CG2 C 21.514 0.300 1 6 8 8 THR HG2 H 1.155 0.030 1 7 8 8 THR C C 175.270 0.300 1 8 9 9 GLY N N 111.063 0.300 1 9 9 9 GLY H H 8.444 0.030 1 10 9 9 GLY CA C 45.198 0.300 1 11 9 9 GLY HA2 H 3.925 0.030 2 12 9 9 GLY HA3 H 3.888 0.030 2 13 9 9 GLY C C 174.015 0.300 1 14 10 10 GLU N N 120.294 0.300 1 15 10 10 GLU H H 8.193 0.030 1 16 10 10 GLU CA C 56.635 0.300 1 17 10 10 GLU HA H 4.170 0.030 1 18 10 10 GLU CB C 30.501 0.300 1 19 10 10 GLU HB2 H 1.954 0.030 2 20 10 10 GLU HB3 H 1.849 0.030 2 21 10 10 GLU CG C 36.237 0.300 1 22 10 10 GLU HG2 H 2.210 0.030 2 23 10 10 GLU HG3 H 2.168 0.030 2 24 10 10 GLU C C 176.395 0.300 1 25 11 11 LYS N N 122.626 0.300 1 26 11 11 LYS H H 8.329 0.030 1 27 11 11 LYS CA C 53.922 0.300 1 28 11 11 LYS HA H 4.446 0.030 1 29 11 11 LYS CB C 32.479 0.300 1 30 11 11 LYS HB2 H 1.557 0.030 2 31 11 11 LYS HB3 H 1.467 0.030 2 32 11 11 LYS CG C 24.586 0.300 1 33 11 11 LYS HG2 H 1.277 0.030 2 34 11 11 LYS HG3 H 1.221 0.030 2 35 11 11 LYS CD C 29.229 0.300 1 36 11 11 LYS HD2 H 1.532 0.030 2 37 11 11 LYS HD3 H 1.466 0.030 2 38 11 11 LYS CE C 42.132 0.300 1 39 11 11 LYS HE2 H 2.870 0.030 1 40 11 11 LYS HE3 H 2.870 0.030 1 41 11 11 LYS C C 174.018 0.300 1 42 12 12 PRO CA C 63.321 0.300 1 43 12 12 PRO HA H 4.283 0.030 1 44 12 12 PRO CB C 32.313 0.300 1 45 12 12 PRO HB2 H 1.467 0.030 2 46 12 12 PRO HB3 H 2.014 0.030 2 47 12 12 PRO CG C 26.743 0.300 1 48 12 12 PRO HG2 H 1.620 0.030 2 49 12 12 PRO HG3 H 1.821 0.030 2 50 12 12 PRO CD C 50.199 0.300 1 51 12 12 PRO HD2 H 3.565 0.030 1 52 12 12 PRO HD3 H 3.565 0.030 1 53 12 12 PRO C C 176.149 0.300 1 54 13 13 HIS N N 119.256 0.300 1 55 13 13 HIS H H 8.026 0.030 1 56 13 13 HIS CA C 55.275 0.300 1 57 13 13 HIS HA H 4.602 0.030 1 58 13 13 HIS CB C 30.264 0.300 1 59 13 13 HIS HB2 H 2.888 0.030 2 60 13 13 HIS HB3 H 3.100 0.030 2 61 13 13 HIS CD2 C 120.559 0.300 1 62 13 13 HIS HD2 H 6.759 0.030 1 63 13 13 HIS CE1 C 138.855 0.300 1 64 13 13 HIS HE1 H 7.866 0.030 1 65 13 13 HIS C C 174.072 0.300 1 66 14 14 GLU N N 124.697 0.300 1 67 14 14 GLU H H 8.462 0.030 1 68 14 14 GLU CA C 55.194 0.300 1 69 14 14 GLU HA H 4.702 0.030 1 70 14 14 GLU CB C 32.794 0.300 1 71 14 14 GLU HB2 H 1.790 0.030 1 72 14 14 GLU HB3 H 1.790 0.030 1 73 14 14 GLU CG C 36.313 0.300 1 74 14 14 GLU HG2 H 1.930 0.030 2 75 14 14 GLU HG3 H 1.858 0.030 2 76 14 14 GLU C C 175.024 0.300 1 77 15 15 CYS N N 126.805 0.300 1 78 15 15 CYS H H 9.220 0.030 1 79 15 15 CYS CA C 59.261 0.300 1 80 15 15 CYS HA H 4.564 0.030 1 81 15 15 CYS CB C 29.450 0.300 1 82 15 15 CYS HB2 H 3.383 0.030 2 83 15 15 CYS HB3 H 2.811 0.030 2 84 15 15 CYS C C 177.227 0.300 1 85 16 16 ARG N N 114.338 0.300 1 86 16 16 ARG H H 9.348 0.030 1 87 16 16 ARG CA C 58.121 0.300 1 88 16 16 ARG HA H 4.164 0.030 1 89 16 16 ARG CB C 29.789 0.300 1 90 16 16 ARG HB2 H 1.913 0.030 2 91 16 16 ARG CG C 27.218 0.300 1 92 16 16 ARG HG2 H 1.724 0.030 1 93 16 16 ARG HG3 H 1.724 0.030 1 94 16 16 ARG CD C 43.124 0.300 1 95 16 16 ARG HD2 H 3.210 0.030 1 96 16 16 ARG HD3 H 3.210 0.030 1 97 16 16 ARG C C 176.716 0.300 1 98 17 17 GLU N N 119.673 0.300 1 99 17 17 GLU H H 8.516 0.030 1 100 17 17 GLU CA C 58.332 0.300 1 101 17 17 GLU HA H 4.146 0.030 1 102 17 17 GLU CB C 29.305 0.300 1 103 17 17 GLU HB2 H 1.320 0.030 1 104 17 17 GLU HB3 H 1.320 0.030 1 105 17 17 GLU CG C 35.735 0.300 1 106 17 17 GLU HG2 H 1.761 0.030 2 107 17 17 GLU HG3 H 1.863 0.030 2 108 17 17 GLU C C 177.290 0.300 1 109 18 18 CYS N N 114.190 0.300 1 110 18 18 CYS H H 7.848 0.030 1 111 18 18 CYS CA C 58.352 0.300 1 112 18 18 CYS HA H 5.141 0.030 1 113 18 18 CYS CB C 32.546 0.300 1 114 18 18 CYS HB2 H 2.813 0.030 2 115 18 18 CYS HB3 H 3.396 0.030 2 116 18 18 CYS C C 176.195 0.300 1 117 19 19 GLY N N 113.563 0.300 1 118 19 19 GLY H H 8.233 0.030 1 119 19 19 GLY CA C 46.147 0.300 1 120 19 19 GLY HA2 H 3.839 0.030 2 121 19 19 GLY HA3 H 4.195 0.030 2 122 19 19 GLY C C 173.979 0.300 1 123 20 20 LYS N N 122.714 0.300 1 124 20 20 LYS H H 7.906 0.030 1 125 20 20 LYS CA C 57.773 0.300 1 126 20 20 LYS HA H 4.016 0.030 1 127 20 20 LYS CB C 33.694 0.300 1 128 20 20 LYS HB2 H 1.324 0.030 2 129 20 20 LYS HB3 H 1.197 0.030 2 130 20 20 LYS CG C 26.312 0.300 1 131 20 20 LYS HG2 H 1.137 0.030 2 132 20 20 LYS HG3 H 1.441 0.030 2 133 20 20 LYS CD C 29.179 0.300 1 134 20 20 LYS HD2 H 1.491 0.030 1 135 20 20 LYS HD3 H 1.491 0.030 1 136 20 20 LYS CE C 42.167 0.300 1 137 20 20 LYS HE2 H 2.919 0.030 2 138 20 20 LYS HE3 H 2.975 0.030 2 139 20 20 LYS C C 174.181 0.300 1 140 21 21 SER N N 114.889 0.300 1 141 21 21 SER H H 7.770 0.030 1 142 21 21 SER CA C 56.643 0.300 1 143 21 21 SER HA H 5.178 0.030 1 144 21 21 SER CB C 65.863 0.300 1 145 21 21 SER HB2 H 3.541 0.030 1 146 21 21 SER HB3 H 3.541 0.030 1 147 21 21 SER C C 173.075 0.300 1 148 22 22 PHE N N 118.070 0.300 1 149 22 22 PHE H H 8.425 0.030 1 150 22 22 PHE CA C 57.274 0.300 1 151 22 22 PHE HA H 4.717 0.030 1 152 22 22 PHE CB C 43.580 0.300 1 153 22 22 PHE HB2 H 2.586 0.030 2 154 22 22 PHE HB3 H 3.576 0.030 2 155 22 22 PHE CD1 C 132.328 0.300 1 156 22 22 PHE HD1 H 7.180 0.030 1 157 22 22 PHE CD2 C 132.328 0.300 1 158 22 22 PHE HD2 H 7.180 0.030 1 159 22 22 PHE CE1 C 130.574 0.300 1 160 22 22 PHE HE1 H 6.808 0.030 1 161 22 22 PHE CE2 C 130.574 0.300 1 162 22 22 PHE HE2 H 6.808 0.030 1 163 22 22 PHE CZ C 128.676 0.300 1 164 22 22 PHE HZ H 6.207 0.030 1 165 22 22 PHE C C 175.562 0.300 1 166 23 23 SER N N 117.719 0.300 1 167 23 23 SER H H 8.890 0.030 1 168 23 23 SER CA C 61.814 0.300 1 169 23 23 SER HA H 4.259 0.030 1 170 23 23 SER CB C 63.470 0.300 1 171 23 23 SER HB2 H 3.283 0.030 2 172 23 23 SER HB3 H 3.599 0.030 2 173 23 23 SER C C 173.419 0.300 1 174 24 24 PHE N N 114.646 0.300 1 175 24 24 PHE H H 7.747 0.030 1 176 24 24 PHE CA C 55.800 0.300 1 177 24 24 PHE HA H 4.891 0.030 1 178 24 24 PHE CB C 42.497 0.300 1 179 24 24 PHE HB2 H 3.425 0.030 2 180 24 24 PHE HB3 H 2.466 0.030 2 181 24 24 PHE CD1 C 132.233 0.300 1 182 24 24 PHE HD1 H 7.239 0.030 1 183 24 24 PHE CD2 C 132.233 0.300 1 184 24 24 PHE HD2 H 7.239 0.030 1 185 24 24 PHE CE1 C 131.331 0.300 1 186 24 24 PHE HE1 H 7.375 0.030 1 187 24 24 PHE CE2 C 131.331 0.300 1 188 24 24 PHE HE2 H 7.375 0.030 1 189 24 24 PHE CZ C 129.962 0.300 1 190 24 24 PHE HZ H 7.317 0.030 1 191 24 24 PHE C C 176.175 0.300 1 192 25 25 ASN CA C 56.980 0.300 1 193 25 25 ASN HA H 3.746 0.030 1 194 25 25 ASN CB C 38.999 0.300 1 195 25 25 ASN HB2 H 2.480 0.030 2 196 25 25 ASN HB3 H 2.356 0.030 2 197 25 25 ASN ND2 N 112.793 0.300 1 198 25 25 ASN HD21 H 7.621 0.030 2 199 25 25 ASN HD22 H 6.899 0.030 2 200 26 26 SER CA C 61.136 0.300 1 201 26 26 SER HA H 3.884 0.030 1 202 26 26 SER CB C 61.259 0.300 1 203 26 26 SER HB2 H 3.808 0.030 1 204 26 26 SER HB3 H 3.808 0.030 1 205 26 26 SER C C 176.598 0.300 1 206 27 27 GLN N N 119.387 0.300 1 207 27 27 GLN H H 6.763 0.030 1 208 27 27 GLN CA C 57.426 0.300 1 209 27 27 GLN HA H 3.946 0.030 1 210 27 27 GLN CB C 28.943 0.300 1 211 27 27 GLN HB2 H 2.563 0.030 2 212 27 27 GLN HB3 H 1.972 0.030 2 213 27 27 GLN CG C 34.363 0.300 1 214 27 27 GLN HG2 H 2.524 0.030 2 215 27 27 GLN HG3 H 2.393 0.030 2 216 27 27 GLN NE2 N 111.572 0.300 1 217 27 27 GLN HE21 H 7.641 0.030 2 218 27 27 GLN HE22 H 7.177 0.030 2 219 27 27 GLN C C 178.638 0.300 1 220 28 28 LEU N N 122.438 0.300 1 221 28 28 LEU H H 6.991 0.030 1 222 28 28 LEU CA C 57.746 0.300 1 223 28 28 LEU HA H 3.313 0.030 1 224 28 28 LEU CB C 40.505 0.300 1 225 28 28 LEU HB2 H 1.242 0.030 2 226 28 28 LEU HB3 H 2.167 0.030 2 227 28 28 LEU CG C 27.443 0.300 1 228 28 28 LEU HG H 1.499 0.030 1 229 28 28 LEU CD1 C 22.967 0.300 2 230 28 28 LEU HD1 H 1.025 0.030 1 231 28 28 LEU CD2 C 26.398 0.300 2 232 28 28 LEU HD2 H 0.984 0.030 1 233 28 28 LEU C C 177.395 0.300 1 234 29 29 ILE N N 118.379 0.300 1 235 29 29 ILE H H 7.976 0.030 1 236 29 29 ILE CA C 64.459 0.300 1 237 29 29 ILE HA H 3.726 0.030 1 238 29 29 ILE CB C 37.373 0.300 1 239 29 29 ILE HB H 1.782 0.030 1 240 29 29 ILE CG1 C 28.319 0.300 1 241 29 29 ILE HG12 H 1.450 0.030 2 242 29 29 ILE HG13 H 1.215 0.030 2 243 29 29 ILE CG2 C 17.234 0.300 1 244 29 29 ILE HG2 H 0.824 0.030 1 245 29 29 ILE CD1 C 12.345 0.300 1 246 29 29 ILE HD1 H 0.734 0.030 1 247 29 29 ILE C C 178.970 0.300 1 248 30 30 VAL N N 118.496 0.300 1 249 30 30 VAL H H 7.047 0.030 1 250 30 30 VAL CA C 66.457 0.300 1 251 30 30 VAL HA H 3.491 0.030 1 252 30 30 VAL CB C 32.038 0.300 1 253 30 30 VAL HB H 1.876 0.030 1 254 30 30 VAL CG1 C 22.647 0.300 2 255 30 30 VAL HG1 H 1.000 0.030 1 256 30 30 VAL CG2 C 21.082 0.300 2 257 30 30 VAL HG2 H 0.882 0.030 1 258 30 30 VAL C C 178.763 0.300 1 259 31 31 HIS N N 119.928 0.300 1 260 31 31 HIS H H 7.577 0.030 1 261 31 31 HIS CA C 59.301 0.300 1 262 31 31 HIS HA H 4.113 0.030 1 263 31 31 HIS CB C 28.544 0.300 1 264 31 31 HIS HB2 H 2.768 0.030 2 265 31 31 HIS HB3 H 3.085 0.030 2 266 31 31 HIS CD2 C 127.163 0.300 1 267 31 31 HIS HD2 H 6.928 0.030 1 268 31 31 HIS CE1 C 139.642 0.300 1 269 31 31 HIS HE1 H 8.016 0.030 1 270 31 31 HIS C C 176.226 0.300 1 271 32 32 GLN N N 114.793 0.300 1 272 32 32 GLN H H 8.456 0.030 1 273 32 32 GLN CA C 59.269 0.300 1 274 32 32 GLN HA H 3.645 0.030 1 275 32 32 GLN CB C 28.282 0.300 1 276 32 32 GLN HB2 H 2.297 0.030 2 277 32 32 GLN HB3 H 2.190 0.030 2 278 32 32 GLN CG C 35.496 0.300 1 279 32 32 GLN HG2 H 2.834 0.030 2 280 32 32 GLN HG3 H 2.797 0.030 2 281 32 32 GLN NE2 N 111.685 0.300 1 282 32 32 GLN HE21 H 6.946 0.030 2 283 32 32 GLN HE22 H 7.573 0.030 2 284 32 32 GLN C C 177.376 0.300 1 285 33 33 ARG N N 117.873 0.300 1 286 33 33 ARG H H 7.186 0.030 1 287 33 33 ARG CA C 58.401 0.300 1 288 33 33 ARG HA H 4.125 0.030 1 289 33 33 ARG CB C 30.016 0.300 1 290 33 33 ARG HB2 H 1.869 0.030 2 291 33 33 ARG HB3 H 1.756 0.030 2 292 33 33 ARG CG C 27.746 0.300 1 293 33 33 ARG HG2 H 1.867 0.030 2 294 33 33 ARG HG3 H 1.632 0.030 2 295 33 33 ARG CD C 43.761 0.300 1 296 33 33 ARG HD2 H 3.164 0.030 1 297 33 33 ARG HD3 H 3.164 0.030 1 298 33 33 ARG C C 178.684 0.300 1 299 34 34 ILE N N 116.164 0.300 1 300 34 34 ILE H H 7.837 0.030 1 301 34 34 ILE CA C 63.143 0.300 1 302 34 34 ILE HA H 3.937 0.030 1 303 34 34 ILE CB C 37.689 0.300 1 304 34 34 ILE HB H 1.618 0.030 1 305 34 34 ILE CG1 C 26.618 0.300 1 306 34 34 ILE HG12 H 0.876 0.030 2 307 34 34 ILE HG13 H 0.698 0.030 2 308 34 34 ILE CG2 C 16.349 0.300 1 309 34 34 ILE HG2 H 0.540 0.030 1 310 34 34 ILE CD1 C 14.408 0.300 1 311 34 34 ILE HD1 H 0.672 0.030 1 312 34 34 ILE C C 177.369 0.300 1 313 35 35 HIS N N 117.537 0.300 1 314 35 35 HIS H H 7.184 0.030 1 315 35 35 HIS CA C 55.178 0.300 1 316 35 35 HIS HA H 4.842 0.030 1 317 35 35 HIS CB C 28.550 0.300 1 318 35 35 HIS HB2 H 3.338 0.030 2 319 35 35 HIS HB3 H 3.210 0.030 2 320 35 35 HIS CD2 C 127.650 0.300 1 321 35 35 HIS HD2 H 6.734 0.030 1 322 35 35 HIS CE1 C 139.990 0.300 1 323 35 35 HIS HE1 H 8.025 0.030 1 324 35 35 HIS C C 175.800 0.300 1 325 36 36 THR N N 111.364 0.300 1 326 36 36 THR H H 7.747 0.030 1 327 36 36 THR CA C 62.359 0.300 1 328 36 36 THR HA H 4.337 0.030 1 329 36 36 THR CB C 69.835 0.300 1 330 36 36 THR HB H 4.303 0.030 1 331 36 36 THR CG2 C 21.588 0.300 1 332 36 36 THR HG2 H 1.214 0.030 1 333 36 36 THR C C 175.474 0.300 1 334 37 37 GLY N N 110.552 0.300 1 335 37 37 GLY H H 8.181 0.030 1 336 37 37 GLY CA C 45.346 0.300 1 337 37 37 GLY HA2 H 4.001 0.030 2 338 37 37 GLY HA3 H 3.922 0.030 2 339 37 37 GLY C C 174.041 0.300 1 340 38 38 GLU N N 120.135 0.300 1 341 38 38 GLU H H 8.080 0.030 1 342 38 38 GLU CA C 56.450 0.300 1 343 38 38 GLU HA H 4.205 0.030 1 344 38 38 GLU CB C 30.467 0.300 1 345 38 38 GLU HB2 H 1.956 0.030 2 346 38 38 GLU HB3 H 1.854 0.030 2 347 38 38 GLU CG C 36.303 0.300 1 348 38 38 GLU HG2 H 2.211 0.030 2 349 38 38 GLU HG3 H 2.167 0.030 2 350 38 38 GLU C C 175.932 0.300 1 351 39 39 ASN N N 120.503 0.300 1 352 39 39 ASN H H 8.511 0.030 1 353 39 39 ASN CA C 51.313 0.300 1 354 39 39 ASN HA H 4.931 0.030 1 355 39 39 ASN CB C 38.883 0.300 1 356 39 39 ASN HB2 H 2.636 0.030 2 357 39 39 ASN HB3 H 2.777 0.030 2 358 39 39 ASN ND2 N 113.222 0.300 1 359 39 39 ASN HD21 H 6.916 0.030 2 360 39 39 ASN HD22 H 7.589 0.030 2 361 39 39 ASN C C 173.367 0.300 1 362 40 40 PRO CA C 63.564 0.300 1 363 40 40 PRO HA H 4.419 0.030 1 364 40 40 PRO CB C 32.140 0.300 1 365 40 40 PRO HB2 H 1.957 0.030 2 366 40 40 PRO HB3 H 2.253 0.030 2 367 40 40 PRO CG C 27.381 0.300 1 368 40 40 PRO CD C 50.706 0.300 1 369 40 40 PRO HD2 H 3.717 0.030 1 370 40 40 PRO HD3 H 3.717 0.030 1 371 40 40 PRO C C 177.061 0.300 1 372 41 41 SER N N 115.581 0.300 1 373 41 41 SER H H 8.354 0.030 1 374 41 41 SER CA C 58.463 0.300 1 375 41 41 SER HA H 4.442 0.030 1 376 41 41 SER CB C 63.856 0.300 1 377 41 41 SER HB2 H 3.864 0.030 1 378 41 41 SER HB3 H 3.864 0.030 1 379 41 41 SER C C 174.582 0.300 1 380 42 42 GLY N N 110.438 0.300 1 381 42 42 GLY H H 8.097 0.030 1 382 42 42 GLY CA C 44.649 0.300 1 383 42 42 GLY HA2 H 4.121 0.030 2 384 42 42 GLY HA3 H 4.072 0.030 2 385 42 42 GLY C C 171.675 0.300 1 386 43 43 PRO CA C 63.436 0.300 1 387 43 43 PRO HA H 4.421 0.030 1 388 43 43 PRO CB C 32.168 0.300 1 389 43 43 PRO HB2 H 2.254 0.030 1 390 43 43 PRO HB3 H 2.254 0.030 1 391 43 43 PRO CG C 27.172 0.300 1 392 43 43 PRO HG2 H 1.977 0.030 1 393 43 43 PRO HG3 H 1.977 0.030 1 394 43 43 PRO CD C 49.759 0.300 1 395 43 43 PRO HD2 H 3.595 0.030 1 396 43 43 PRO HD3 H 3.595 0.030 1 397 43 43 PRO C C 177.358 0.300 1 398 44 44 SER N N 116.459 0.300 1 399 44 44 SER H H 8.513 0.030 1 400 44 44 SER CA C 58.367 0.300 1 401 44 44 SER HA H 4.465 0.030 1 402 44 44 SER CB C 63.692 0.300 1 403 44 44 SER HB2 H 3.869 0.030 1 404 44 44 SER HB3 H 3.869 0.030 1 405 44 44 SER C C 174.649 0.300 1 406 45 45 SER N N 117.890 0.300 1 407 45 45 SER H H 8.318 0.030 1 408 45 45 SER C C 173.888 0.300 1 stop_ save_