data_10155 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 603-635) of human Zinc finger protein 484 ; _BMRB_accession_number 10155 _BMRB_flat_file_name bmr10155.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" 217 "13C chemical shifts" 156 "15N chemical shifts" 32 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 603-635) of human Zinc finger protein 484 ; _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 484' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2, UNP residues 603-635' $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 603-635' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYECSICGK SFTKKSQLHVHQQIHTGEKP 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 GLU 15 CYS 16 SER 17 ILE 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 THR 24 LYS 25 LYS 26 SER 27 GLN 28 LEU 29 HIS 30 VAL 31 HIS 32 GLN 33 GLN 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 2EP2 "Solution Structure Of The C2h2 Type Zinc Finger (Region 603- 635) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 4.76e-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 P070115-46 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'zf-C2H2, UNP residues 603-635' _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 45.470 0.300 1 2 7 7 GLY HA2 H 4.008 0.030 1 3 7 7 GLY HA3 H 4.008 0.030 1 4 7 7 GLY C C 174.519 0.300 1 5 8 8 THR N N 112.809 0.300 1 6 8 8 THR H H 8.167 0.030 1 7 8 8 THR CA C 61.860 0.300 1 8 8 8 THR HA H 4.388 0.030 1 9 8 8 THR CB C 69.699 0.300 1 10 8 8 THR HB H 4.307 0.030 1 11 8 8 THR CG2 C 21.537 0.300 1 12 8 8 THR HG2 H 1.202 0.030 1 13 8 8 THR C C 175.277 0.300 1 14 9 9 GLY CA C 45.306 0.300 1 15 9 9 GLY HA2 H 3.979 0.030 2 16 9 9 GLY HA3 H 3.938 0.030 2 17 9 9 GLY C C 174.001 0.300 1 18 10 10 GLU N N 120.420 0.300 1 19 10 10 GLU H H 8.230 0.030 1 20 10 10 GLU CA C 56.759 0.300 1 21 10 10 GLU HA H 4.223 0.030 1 22 10 10 GLU CB C 30.471 0.300 1 23 10 10 GLU HB2 H 1.913 0.030 2 24 10 10 GLU HB3 H 2.015 0.030 2 25 10 10 GLU CG C 36.252 0.300 1 26 10 10 GLU HG2 H 2.274 0.030 2 27 10 10 GLU HG3 H 2.237 0.030 2 28 10 10 GLU C C 176.269 0.300 1 29 11 11 LYS N N 122.538 0.300 1 30 11 11 LYS H H 8.294 0.030 1 31 11 11 LYS CA C 53.942 0.300 1 32 11 11 LYS HA H 4.522 0.030 1 33 11 11 LYS CB C 32.707 0.300 1 34 11 11 LYS HB2 H 1.612 0.030 2 35 11 11 LYS HB3 H 1.534 0.030 2 36 11 11 LYS CG C 24.589 0.300 1 37 11 11 LYS HG2 H 1.325 0.030 2 38 11 11 LYS HG3 H 1.290 0.030 2 39 11 11 LYS CD C 29.346 0.300 1 40 11 11 LYS HD2 H 1.563 0.030 1 41 11 11 LYS HD3 H 1.563 0.030 1 42 11 11 LYS CE C 42.185 0.300 1 43 11 11 LYS HE2 H 2.921 0.030 1 44 11 11 LYS HE3 H 2.921 0.030 1 45 11 11 LYS C C 174.065 0.300 1 46 12 12 PRO CA C 63.244 0.300 1 47 12 12 PRO HA H 4.306 0.030 1 48 12 12 PRO CB C 32.290 0.300 1 49 12 12 PRO HB2 H 1.385 0.030 2 50 12 12 PRO HB3 H 2.029 0.030 2 51 12 12 PRO CG C 26.856 0.300 1 52 12 12 PRO HG2 H 1.829 0.030 2 53 12 12 PRO HG3 H 1.694 0.030 2 54 12 12 PRO CD C 50.322 0.300 1 55 12 12 PRO HD2 H 3.661 0.030 2 56 12 12 PRO HD3 H 3.616 0.030 2 57 12 12 PRO C C 176.129 0.300 1 58 13 13 TYR N N 118.690 0.300 1 59 13 13 TYR H H 8.094 0.030 1 60 13 13 TYR CA C 57.656 0.300 1 61 13 13 TYR HA H 4.596 0.030 1 62 13 13 TYR CB C 38.758 0.300 1 63 13 13 TYR HB2 H 2.993 0.030 2 64 13 13 TYR HB3 H 2.813 0.030 2 65 13 13 TYR CD1 C 133.275 0.300 1 66 13 13 TYR HD1 H 7.028 0.030 1 67 13 13 TYR CD2 C 133.275 0.300 1 68 13 13 TYR HD2 H 7.028 0.030 1 69 13 13 TYR CE1 C 118.466 0.300 1 70 13 13 TYR HE1 H 6.906 0.030 1 71 13 13 TYR CE2 C 118.466 0.300 1 72 13 13 TYR HE2 H 6.906 0.030 1 73 13 13 TYR C C 174.523 0.300 1 74 14 14 GLU N N 124.311 0.300 1 75 14 14 GLU H H 8.612 0.030 1 76 14 14 GLU CA C 54.972 0.300 1 77 14 14 GLU HA H 4.858 0.030 1 78 14 14 GLU CB C 33.017 0.300 1 79 14 14 GLU HB2 H 1.823 0.030 1 80 14 14 GLU HB3 H 1.823 0.030 1 81 14 14 GLU CG C 36.396 0.300 1 82 14 14 GLU HG2 H 1.989 0.030 2 83 14 14 GLU HG3 H 1.923 0.030 2 84 14 14 GLU C C 175.370 0.300 1 85 15 15 CYS N N 126.829 0.300 1 86 15 15 CYS H H 9.299 0.030 1 87 15 15 CYS CA C 59.489 0.300 1 88 15 15 CYS HA H 4.615 0.030 1 89 15 15 CYS CB C 29.588 0.300 1 90 15 15 CYS HB2 H 2.890 0.030 2 91 15 15 CYS HB3 H 3.432 0.030 2 92 15 15 CYS C C 177.251 0.300 1 93 16 16 SER CA C 60.823 0.300 1 94 16 16 SER HA H 4.324 0.030 1 95 16 16 SER CB C 63.099 0.300 1 96 16 16 SER HB2 H 4.050 0.030 1 97 16 16 SER HB3 H 4.050 0.030 1 98 16 16 SER C C 174.225 0.300 1 99 17 17 ILE N N 123.696 0.300 1 100 17 17 ILE H H 8.607 0.030 1 101 17 17 ILE CA C 63.401 0.300 1 102 17 17 ILE HA H 3.927 0.030 1 103 17 17 ILE CB C 38.358 0.300 1 104 17 17 ILE HB H 1.159 0.030 1 105 17 17 ILE CG1 C 28.273 0.300 1 106 17 17 ILE HG12 H 1.084 0.030 2 107 17 17 ILE HG13 H 1.417 0.030 2 108 17 17 ILE CG2 C 16.352 0.300 1 109 17 17 ILE HG2 H 0.310 0.030 1 110 17 17 ILE CD1 C 12.360 0.300 1 111 17 17 ILE HD1 H 0.705 0.030 1 112 17 17 ILE C C 176.969 0.300 1 113 18 18 CYS N N 115.697 0.300 1 114 18 18 CYS H H 8.021 0.030 1 115 18 18 CYS CA C 58.229 0.300 1 116 18 18 CYS HA H 5.203 0.030 1 117 18 18 CYS CB C 32.739 0.300 1 118 18 18 CYS HB2 H 2.845 0.030 2 119 18 18 CYS HB3 H 3.489 0.030 2 120 18 18 CYS C C 176.506 0.300 1 121 19 19 GLY N N 113.451 0.300 1 122 19 19 GLY H H 8.148 0.030 1 123 19 19 GLY CA C 46.236 0.300 1 124 19 19 GLY HA2 H 3.894 0.030 2 125 19 19 GLY HA3 H 4.247 0.030 2 126 19 19 GLY C C 173.836 0.300 1 127 20 20 LYS N N 122.918 0.300 1 128 20 20 LYS H H 7.971 0.030 1 129 20 20 LYS CA C 57.991 0.300 1 130 20 20 LYS HA H 4.043 0.030 1 131 20 20 LYS CB C 33.587 0.300 1 132 20 20 LYS HB2 H 1.256 0.030 2 133 20 20 LYS HB3 H 1.412 0.030 2 134 20 20 LYS CG C 26.335 0.300 1 135 20 20 LYS HG2 H 1.482 0.030 2 136 20 20 LYS HG3 H 1.177 0.030 2 137 20 20 LYS CD C 29.281 0.300 1 138 20 20 LYS HD2 H 1.561 0.030 2 139 20 20 LYS HD3 H 1.513 0.030 2 140 20 20 LYS CE C 42.221 0.300 1 141 20 20 LYS HE2 H 3.021 0.030 2 142 20 20 LYS HE3 H 2.959 0.030 2 143 20 20 LYS C C 174.295 0.300 1 144 21 21 SER N N 115.357 0.300 1 145 21 21 SER H H 7.819 0.030 1 146 21 21 SER CA C 56.697 0.300 1 147 21 21 SER HA H 5.301 0.030 1 148 21 21 SER CB C 66.038 0.300 1 149 21 21 SER HB2 H 3.596 0.030 1 150 21 21 SER HB3 H 3.596 0.030 1 151 21 21 SER C C 173.121 0.300 1 152 22 22 PHE N N 118.204 0.300 1 153 22 22 PHE H H 8.662 0.030 1 154 22 22 PHE CA C 57.284 0.300 1 155 22 22 PHE HA H 4.810 0.030 1 156 22 22 PHE CB C 43.860 0.300 1 157 22 22 PHE HB2 H 2.625 0.030 2 158 22 22 PHE HB3 H 3.578 0.030 2 159 22 22 PHE CD1 C 132.435 0.300 1 160 22 22 PHE HD1 H 7.199 0.030 1 161 22 22 PHE CD2 C 132.435 0.300 1 162 22 22 PHE HD2 H 7.199 0.030 1 163 22 22 PHE CE1 C 130.527 0.300 1 164 22 22 PHE HE1 H 6.844 0.030 1 165 22 22 PHE CE2 C 130.527 0.300 1 166 22 22 PHE HE2 H 6.844 0.030 1 167 22 22 PHE CZ C 128.738 0.300 1 168 22 22 PHE HZ H 6.246 0.030 1 169 22 22 PHE C C 175.380 0.300 1 170 23 23 THR N N 114.460 0.300 1 171 23 23 THR H H 8.904 0.030 1 172 23 23 THR CA C 64.664 0.300 1 173 23 23 THR HA H 4.429 0.030 1 174 23 23 THR CB C 69.577 0.300 1 175 23 23 THR HB H 4.416 0.030 1 176 23 23 THR CG2 C 22.552 0.300 1 177 23 23 THR HG2 H 1.390 0.030 1 178 23 23 THR C C 174.705 0.300 1 179 24 24 LYS N N 117.025 0.300 1 180 24 24 LYS H H 7.637 0.030 1 181 24 24 LYS CA C 54.289 0.300 1 182 24 24 LYS HA H 4.858 0.030 1 183 24 24 LYS CB C 35.986 0.300 1 184 24 24 LYS HB2 H 1.515 0.030 2 185 24 24 LYS HB3 H 2.000 0.030 2 186 24 24 LYS CG C 24.875 0.300 1 187 24 24 LYS HG2 H 1.486 0.030 1 188 24 24 LYS HG3 H 1.486 0.030 1 189 24 24 LYS CD C 29.302 0.300 1 190 24 24 LYS HD2 H 1.652 0.030 2 191 24 24 LYS HD3 H 1.742 0.030 2 192 24 24 LYS CE C 42.168 0.300 1 193 24 24 LYS HE2 H 3.011 0.030 1 194 24 24 LYS HE3 H 3.011 0.030 1 195 24 24 LYS C C 176.551 0.300 1 196 25 25 LYS N N 127.352 0.300 1 197 25 25 LYS H H 8.516 0.030 1 198 25 25 LYS CA C 59.682 0.300 1 199 25 25 LYS HA H 2.925 0.030 1 200 25 25 LYS CB C 31.703 0.300 1 201 25 25 LYS HB2 H 1.379 0.030 2 202 25 25 LYS HB3 H 1.065 0.030 2 203 25 25 LYS CG C 24.843 0.300 1 204 25 25 LYS HG2 H 0.920 0.030 2 205 25 25 LYS HG3 H 0.859 0.030 2 206 25 25 LYS CD C 29.324 0.300 1 207 25 25 LYS HD2 H 1.564 0.030 1 208 25 25 LYS HD3 H 1.564 0.030 1 209 25 25 LYS CE C 41.952 0.300 1 210 25 25 LYS HE2 H 2.928 0.030 1 211 25 25 LYS HE3 H 2.928 0.030 1 212 25 25 LYS C C 178.182 0.300 1 213 26 26 SER CA C 60.759 0.300 1 214 26 26 SER HA H 4.015 0.030 1 215 26 26 SER CB C 61.414 0.300 1 216 26 26 SER HB2 H 3.871 0.030 1 217 26 26 SER HB3 H 3.871 0.030 1 218 26 26 SER C C 176.943 0.300 1 219 27 27 GLN N N 120.004 0.300 1 220 27 27 GLN H H 6.690 0.030 1 221 27 27 GLN CA C 57.577 0.300 1 222 27 27 GLN HA H 3.973 0.030 1 223 27 27 GLN CB C 28.433 0.300 1 224 27 27 GLN HB2 H 2.493 0.030 2 225 27 27 GLN HB3 H 2.036 0.030 2 226 27 27 GLN CG C 34.154 0.300 1 227 27 27 GLN HG2 H 2.527 0.030 2 228 27 27 GLN HG3 H 2.357 0.030 2 229 27 27 GLN NE2 N 111.309 0.300 1 230 27 27 GLN HE21 H 7.619 0.030 2 231 27 27 GLN HE22 H 7.047 0.030 2 232 27 27 GLN C C 178.831 0.300 1 233 28 28 LEU N N 121.687 0.300 1 234 28 28 LEU H H 6.973 0.030 1 235 28 28 LEU CA C 57.775 0.300 1 236 28 28 LEU HA H 3.277 0.030 1 237 28 28 LEU CB C 40.177 0.300 1 238 28 28 LEU HB2 H 1.242 0.030 2 239 28 28 LEU HB3 H 1.982 0.030 2 240 28 28 LEU CG C 27.524 0.300 1 241 28 28 LEU HG H 1.525 0.030 1 242 28 28 LEU CD1 C 22.855 0.300 2 243 28 28 LEU HD1 H 1.052 0.030 1 244 28 28 LEU CD2 C 26.469 0.300 2 245 28 28 LEU HD2 H 1.008 0.030 1 246 28 28 LEU C C 177.514 0.300 1 247 29 29 HIS N N 118.184 0.300 1 248 29 29 HIS H H 8.049 0.030 1 249 29 29 HIS CA C 59.106 0.300 1 250 29 29 HIS HA H 4.409 0.030 1 251 29 29 HIS CB C 30.059 0.300 1 252 29 29 HIS HB2 H 3.122 0.030 1 253 29 29 HIS HB3 H 3.122 0.030 1 254 29 29 HIS CD2 C 119.588 0.300 1 255 29 29 HIS HD2 H 6.853 0.030 1 256 29 29 HIS CE1 C 138.286 0.300 1 257 29 29 HIS HE1 H 7.739 0.030 1 258 29 29 HIS C C 178.350 0.300 1 259 30 30 VAL N N 118.277 0.300 1 260 30 30 VAL H H 7.513 0.030 1 261 30 30 VAL CA C 66.146 0.300 1 262 30 30 VAL HA H 3.665 0.030 1 263 30 30 VAL CB C 32.158 0.300 1 264 30 30 VAL HB H 1.949 0.030 1 265 30 30 VAL CG1 C 22.663 0.300 2 266 30 30 VAL HG1 H 1.087 0.030 1 267 30 30 VAL CG2 C 21.168 0.300 2 268 30 30 VAL HG2 H 0.928 0.030 1 269 30 30 VAL C C 178.807 0.300 1 270 31 31 HIS N N 119.980 0.300 1 271 31 31 HIS H H 7.606 0.030 1 272 31 31 HIS CA C 59.357 0.300 1 273 31 31 HIS HA H 4.165 0.030 1 274 31 31 HIS CB C 28.519 0.300 1 275 31 31 HIS HB2 H 2.854 0.030 2 276 31 31 HIS HB3 H 3.119 0.030 2 277 31 31 HIS CD2 C 126.977 0.300 1 278 31 31 HIS HD2 H 6.932 0.030 1 279 31 31 HIS CE1 C 139.836 0.300 1 280 31 31 HIS HE1 H 8.062 0.030 1 281 31 31 HIS C C 176.287 0.300 1 282 32 32 GLN N N 114.428 0.300 1 283 32 32 GLN H H 8.425 0.030 1 284 32 32 GLN CA C 59.301 0.300 1 285 32 32 GLN HA H 3.688 0.030 1 286 32 32 GLN CB C 28.202 0.300 1 287 32 32 GLN HB2 H 2.347 0.030 2 288 32 32 GLN HB3 H 2.183 0.030 2 289 32 32 GLN CG C 35.325 0.300 1 290 32 32 GLN HG2 H 2.856 0.030 2 291 32 32 GLN HG3 H 2.804 0.030 2 292 32 32 GLN NE2 N 112.095 0.300 1 293 32 32 GLN HE21 H 7.551 0.030 2 294 32 32 GLN HE22 H 7.092 0.030 2 295 32 32 GLN C C 177.554 0.300 1 296 33 33 GLN N N 117.108 0.300 1 297 33 33 GLN H H 7.239 0.030 1 298 33 33 GLN CA C 57.802 0.300 1 299 33 33 GLN HA H 4.073 0.030 1 300 33 33 GLN CB C 28.374 0.300 1 301 33 33 GLN HB2 H 2.130 0.030 2 302 33 33 GLN HB3 H 2.048 0.030 2 303 33 33 GLN CG C 33.856 0.300 1 304 33 33 GLN HG2 H 2.516 0.030 2 305 33 33 GLN HG3 H 2.409 0.030 2 306 33 33 GLN NE2 N 111.603 0.300 1 307 33 33 GLN HE21 H 7.280 0.030 2 308 33 33 GLN HE22 H 6.845 0.030 2 309 33 33 GLN C C 178.214 0.300 1 310 34 34 ILE N N 116.246 0.300 1 311 34 34 ILE H H 7.802 0.030 1 312 34 34 ILE CA C 63.058 0.300 1 313 34 34 ILE HA H 3.997 0.030 1 314 34 34 ILE CB C 37.744 0.300 1 315 34 34 ILE HB H 1.700 0.030 1 316 34 34 ILE CG1 C 26.584 0.300 1 317 34 34 ILE HG12 H 0.939 0.030 2 318 34 34 ILE HG13 H 0.761 0.030 2 319 34 34 ILE CG2 C 16.436 0.300 1 320 34 34 ILE HG2 H 0.588 0.030 1 321 34 34 ILE CD1 C 14.443 0.300 1 322 34 34 ILE HD1 H 0.709 0.030 1 323 34 34 ILE C C 177.303 0.300 1 324 35 35 HIS N N 117.300 0.300 1 325 35 35 HIS H H 7.168 0.030 1 326 35 35 HIS CA C 55.082 0.300 1 327 35 35 HIS HA H 4.902 0.030 1 328 35 35 HIS CB C 28.700 0.300 1 329 35 35 HIS HB2 H 3.354 0.030 2 330 35 35 HIS HB3 H 3.231 0.030 2 331 35 35 HIS CD2 C 127.847 0.300 1 332 35 35 HIS HD2 H 6.703 0.030 1 333 35 35 HIS CE1 C 140.396 0.300 1 334 35 35 HIS HE1 H 8.125 0.030 1 335 35 35 HIS C C 175.645 0.300 1 336 36 36 THR N N 112.636 0.300 1 337 36 36 THR H H 7.742 0.030 1 338 36 36 THR CA C 62.837 0.300 1 339 36 36 THR HA H 4.303 0.030 1 340 36 36 THR CB C 69.713 0.300 1 341 36 36 THR HB H 4.302 0.030 1 342 36 36 THR CG2 C 21.594 0.300 1 343 36 36 THR HG2 H 1.244 0.030 1 344 36 36 THR C C 175.349 0.300 1 345 37 37 GLY N N 110.952 0.300 1 346 37 37 GLY H H 8.329 0.030 1 347 37 37 GLY CA C 45.353 0.300 1 348 37 37 GLY HA2 H 4.000 0.030 1 349 37 37 GLY HA3 H 4.000 0.030 1 350 37 37 GLY C C 174.021 0.300 1 351 38 38 GLU N N 120.547 0.300 1 352 38 38 GLU H H 8.063 0.030 1 353 38 38 GLU CA C 56.431 0.300 1 354 38 38 GLU HA H 4.270 0.030 1 355 38 38 GLU CB C 30.563 0.300 1 356 38 38 GLU HB2 H 2.017 0.030 2 357 38 38 GLU HB3 H 1.940 0.030 2 358 38 38 GLU CG C 36.303 0.300 1 359 38 38 GLU HG2 H 2.279 0.030 2 360 38 38 GLU HG3 H 2.233 0.030 2 361 38 38 GLU C C 176.207 0.300 1 362 39 39 LYS N N 123.687 0.300 1 363 39 39 LYS H H 8.412 0.030 1 364 39 39 LYS CA C 54.062 0.300 1 365 39 39 LYS HA H 4.621 0.030 1 366 39 39 LYS CB C 32.571 0.300 1 367 39 39 LYS HB2 H 1.826 0.030 2 368 39 39 LYS HB3 H 1.728 0.030 2 369 39 39 LYS CG C 24.497 0.300 1 370 39 39 LYS HG2 H 1.464 0.030 1 371 39 39 LYS HG3 H 1.464 0.030 1 372 39 39 LYS CD C 29.173 0.300 1 373 39 39 LYS HD2 H 1.743 0.030 1 374 39 39 LYS HD3 H 1.743 0.030 1 375 39 39 LYS CE C 42.163 0.300 1 376 39 39 LYS HE2 H 3.011 0.030 1 377 39 39 LYS HE3 H 3.011 0.030 1 378 39 39 LYS C C 174.427 0.300 1 379 40 40 PRO CA C 63.207 0.300 1 380 40 40 PRO HA H 4.475 0.030 1 381 40 40 PRO CB C 32.205 0.300 1 382 40 40 PRO HB2 H 2.319 0.030 2 383 40 40 PRO HB3 H 1.951 0.030 2 384 40 40 PRO CG C 27.268 0.300 1 385 40 40 PRO HG2 H 2.023 0.030 1 386 40 40 PRO HG3 H 2.023 0.030 1 387 40 40 PRO CD C 50.684 0.300 1 388 40 40 PRO HD2 H 3.831 0.030 2 389 40 40 PRO HD3 H 3.652 0.030 2 390 41 41 SER N N 116.537 0.300 1 391 41 41 SER H H 8.491 0.030 1 392 42 42 GLY CA C 44.661 0.300 1 393 42 42 GLY HA2 H 4.174 0.030 2 394 42 42 GLY HA3 H 4.114 0.030 2 395 43 43 PRO CA C 63.206 0.300 1 396 43 43 PRO HA H 4.479 0.030 1 397 43 43 PRO CB C 32.187 0.300 1 398 43 43 PRO HB2 H 2.319 0.030 2 399 43 43 PRO HB3 H 1.951 0.030 2 400 43 43 PRO CG C 27.008 0.300 1 401 43 43 PRO HG2 H 2.025 0.030 1 402 43 43 PRO HG3 H 2.025 0.030 1 403 43 43 PRO CD C 49.825 0.300 1 404 43 43 PRO HD2 H 3.641 0.030 1 405 43 43 PRO HD3 H 3.641 0.030 1 stop_ save_