data_10153 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 519-551) of human Zinc finger protein 484 ; _BMRB_accession_number 10153 _BMRB_flat_file_name bmr10153.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" 213 "13C chemical shifts" 157 "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 519-551) 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 domain' $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 domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYKCSDCGK SFTWKSRLRIHQKCHTGERH 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 SER 17 ASP 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 THR 24 TRP 25 LYS 26 SER 27 ARG 28 LEU 29 ARG 30 ILE 31 HIS 32 GLN 33 LYS 34 CYS 35 HIS 36 THR 37 GLY 38 GLU 39 ARG 40 HIS 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 2EOV "Solution Structure Of The C2h2 Type Zinc Finger (Region 519- 551) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 6.87e-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 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 P070115-43 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 domain' _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 45.443 0.300 1 2 7 7 GLY HA2 H 4.001 0.030 1 3 7 7 GLY HA3 H 4.001 0.030 1 4 7 7 GLY C C 174.517 0.300 1 5 8 8 THR N N 112.810 0.300 1 6 8 8 THR H H 8.114 0.030 1 7 8 8 THR CA C 61.946 0.300 1 8 8 8 THR HA H 4.359 0.030 1 9 8 8 THR CB C 69.788 0.300 1 10 8 8 THR HB H 4.283 0.030 1 11 8 8 THR CG2 C 21.474 0.300 1 12 8 8 THR HG2 H 1.188 0.030 1 13 8 8 THR C C 175.261 0.300 1 14 9 9 GLY CA C 45.194 0.300 1 15 9 9 GLY HA2 H 3.934 0.030 1 16 9 9 GLY HA3 H 3.934 0.030 1 17 10 10 GLU N N 120.417 0.300 1 18 10 10 GLU H H 8.163 0.030 1 19 10 10 GLU CA C 56.630 0.300 1 20 10 10 GLU HA H 4.157 0.030 1 21 10 10 GLU CB C 30.424 0.300 1 22 10 10 GLU HB2 H 1.855 0.030 2 23 10 10 GLU HB3 H 1.936 0.030 2 24 10 10 GLU CG C 36.226 0.300 1 25 10 10 GLU HG2 H 2.174 0.030 2 26 10 10 GLU C C 176.283 0.300 1 27 11 11 LYS N N 122.818 0.300 1 28 11 11 LYS H H 8.319 0.030 1 29 11 11 LYS CA C 54.069 0.300 1 30 11 11 LYS HA H 4.416 0.030 1 31 11 11 LYS CB C 32.659 0.300 1 32 11 11 LYS HB2 H 1.509 0.030 2 33 11 11 LYS HB3 H 1.411 0.030 2 34 11 11 LYS CG C 24.796 0.300 1 35 11 11 LYS HG2 H 1.260 0.030 2 36 11 11 LYS HG3 H 1.230 0.030 2 37 11 11 LYS CD C 29.343 0.300 1 38 11 11 LYS HD2 H 1.420 0.030 2 39 11 11 LYS HD3 H 1.501 0.030 2 40 11 11 LYS CE C 42.328 0.300 1 41 11 11 LYS HE2 H 2.874 0.030 1 42 11 11 LYS HE3 H 2.874 0.030 1 43 11 11 LYS C C 174.368 0.300 1 44 12 12 PRO CA C 63.821 0.300 1 45 12 12 PRO HA H 4.190 0.030 1 46 12 12 PRO CB C 32.246 0.300 1 47 12 12 PRO HB2 H 1.108 0.030 2 48 12 12 PRO HB3 H 1.993 0.030 2 49 12 12 PRO CG C 26.782 0.300 1 50 12 12 PRO HG2 H 1.607 0.030 2 51 12 12 PRO HG3 H 1.775 0.030 2 52 12 12 PRO CD C 50.487 0.300 1 53 12 12 PRO HD2 H 3.592 0.030 1 54 12 12 PRO HD3 H 3.592 0.030 1 55 12 12 PRO C C 176.504 0.300 1 56 13 13 TYR N N 117.532 0.300 1 57 13 13 TYR H H 7.808 0.030 1 58 13 13 TYR CA C 57.460 0.300 1 59 13 13 TYR HA H 4.723 0.030 1 60 13 13 TYR CB C 38.681 0.300 1 61 13 13 TYR HB2 H 2.813 0.030 2 62 13 13 TYR HB3 H 3.038 0.030 2 63 13 13 TYR CD1 C 133.265 0.300 1 64 13 13 TYR HD1 H 7.025 0.030 1 65 13 13 TYR CD2 C 133.265 0.300 1 66 13 13 TYR HD2 H 7.025 0.030 1 67 13 13 TYR CE1 C 118.545 0.300 1 68 13 13 TYR HE1 H 6.940 0.030 1 69 13 13 TYR CE2 C 118.545 0.300 1 70 13 13 TYR HE2 H 6.940 0.030 1 71 13 13 TYR C C 174.392 0.300 1 72 14 14 LYS N N 125.155 0.300 1 73 14 14 LYS H H 8.658 0.030 1 74 14 14 LYS CA C 55.182 0.300 1 75 14 14 LYS HA H 4.897 0.030 1 76 14 14 LYS CB C 35.362 0.300 1 77 14 14 LYS HB2 H 1.666 0.030 2 78 14 14 LYS HB3 H 1.613 0.030 2 79 14 14 LYS CG C 24.667 0.300 1 80 14 14 LYS HG2 H 1.193 0.030 1 81 14 14 LYS HG3 H 1.193 0.030 1 82 14 14 LYS CD C 29.308 0.300 1 83 14 14 LYS HD2 H 1.590 0.030 1 84 14 14 LYS HD3 H 1.590 0.030 1 85 14 14 LYS CE C 42.006 0.300 1 86 14 14 LYS HE2 H 2.938 0.030 1 87 14 14 LYS HE3 H 2.938 0.030 1 88 14 14 LYS C C 175.434 0.300 1 89 15 15 CYS N N 127.487 0.300 1 90 15 15 CYS H H 9.257 0.030 1 91 15 15 CYS CA C 59.645 0.300 1 92 15 15 CYS HA H 4.552 0.030 1 93 15 15 CYS CB C 29.714 0.300 1 94 15 15 CYS HB2 H 2.899 0.030 2 95 15 15 CYS HB3 H 3.447 0.030 2 96 15 15 CYS C C 177.361 0.300 1 97 16 16 SER CA C 61.056 0.300 1 98 16 16 SER HA H 4.265 0.030 1 99 16 16 SER CB C 63.129 0.300 1 100 16 16 SER HB2 H 4.032 0.030 2 101 16 16 SER HB3 H 3.977 0.030 2 102 16 16 SER C C 174.425 0.300 1 103 17 17 ASP N N 122.836 0.300 1 104 17 17 ASP H H 8.675 0.030 1 105 17 17 ASP CA C 56.882 0.300 1 106 17 17 ASP HA H 4.573 0.030 1 107 17 17 ASP CB C 41.393 0.300 1 108 17 17 ASP HB2 H 1.848 0.030 2 109 17 17 ASP HB3 H 1.745 0.030 2 110 17 17 ASP C C 176.693 0.300 1 111 18 18 CYS N N 114.845 0.300 1 112 18 18 CYS H H 7.871 0.030 1 113 18 18 CYS CA C 58.669 0.300 1 114 18 18 CYS HA H 5.149 0.030 1 115 18 18 CYS CB C 32.360 0.300 1 116 18 18 CYS HB2 H 2.901 0.030 2 117 18 18 CYS HB3 H 3.430 0.030 2 118 18 18 CYS C C 176.087 0.300 1 119 19 19 GLY N N 112.703 0.300 1 120 19 19 GLY H H 8.234 0.030 1 121 19 19 GLY CA C 46.239 0.300 1 122 19 19 GLY HA2 H 3.805 0.030 2 123 19 19 GLY HA3 H 4.261 0.030 2 124 19 19 GLY C C 173.775 0.300 1 125 20 20 LYS N N 123.389 0.300 1 126 20 20 LYS H H 8.104 0.030 1 127 20 20 LYS CA C 58.247 0.300 1 128 20 20 LYS HA H 4.062 0.030 1 129 20 20 LYS CB C 33.784 0.300 1 130 20 20 LYS HB2 H 1.448 0.030 2 131 20 20 LYS HB3 H 1.289 0.030 2 132 20 20 LYS CG C 26.235 0.300 1 133 20 20 LYS HG2 H 1.506 0.030 2 134 20 20 LYS HG3 H 1.147 0.030 2 135 20 20 LYS CD C 29.347 0.300 1 136 20 20 LYS HD2 H 1.515 0.030 2 137 20 20 LYS HD3 H 1.447 0.030 2 138 20 20 LYS CE C 42.220 0.300 1 139 20 20 LYS HE2 H 2.941 0.030 2 140 20 20 LYS HE3 H 3.000 0.030 2 141 20 20 LYS C C 174.521 0.300 1 142 21 21 SER N N 115.758 0.300 1 143 21 21 SER H H 7.892 0.030 1 144 21 21 SER CA C 57.156 0.300 1 145 21 21 SER HA H 5.346 0.030 1 146 21 21 SER CB C 65.985 0.300 1 147 21 21 SER HB2 H 3.595 0.030 1 148 21 21 SER HB3 H 3.595 0.030 1 149 21 21 SER C C 172.978 0.300 1 150 22 22 PHE N N 117.880 0.300 1 151 22 22 PHE H H 8.858 0.030 1 152 22 22 PHE CA C 57.670 0.300 1 153 22 22 PHE HA H 4.809 0.030 1 154 22 22 PHE CB C 43.763 0.300 1 155 22 22 PHE HB2 H 2.628 0.030 2 156 22 22 PHE HB3 H 3.462 0.030 2 157 22 22 PHE CD1 C 132.594 0.300 1 158 22 22 PHE HD1 H 7.329 0.030 1 159 22 22 PHE CD2 C 132.594 0.300 1 160 22 22 PHE HD2 H 7.329 0.030 1 161 22 22 PHE CE1 C 130.683 0.300 1 162 22 22 PHE HE1 H 6.886 0.030 1 163 22 22 PHE CE2 C 130.683 0.300 1 164 22 22 PHE HE2 H 6.886 0.030 1 165 22 22 PHE CZ C 128.941 0.300 1 166 22 22 PHE HZ H 6.309 0.030 1 167 22 22 PHE C C 175.046 0.300 1 168 23 23 THR N N 119.545 0.300 1 169 23 23 THR H H 9.181 0.030 1 170 23 23 THR CA C 65.464 0.300 1 171 23 23 THR HA H 4.093 0.030 1 172 23 23 THR CB C 69.486 0.300 1 173 23 23 THR HB H 3.722 0.030 1 174 23 23 THR CG2 C 21.770 0.300 1 175 23 23 THR HG2 H 0.606 0.030 1 176 23 23 THR C C 173.355 0.300 1 177 24 24 TRP N N 117.211 0.300 1 178 24 24 TRP H H 7.379 0.030 1 179 24 24 TRP CA C 55.014 0.300 1 180 24 24 TRP HA H 5.262 0.030 1 181 24 24 TRP CB C 32.074 0.300 1 182 24 24 TRP HB2 H 2.966 0.030 2 183 24 24 TRP HB3 H 3.581 0.030 2 184 24 24 TRP CD1 C 127.383 0.300 1 185 24 24 TRP HD1 H 7.490 0.030 1 186 24 24 TRP NE1 N 129.683 0.300 1 187 24 24 TRP HE1 H 10.328 0.030 1 188 24 24 TRP CE3 C 120.882 0.300 1 189 24 24 TRP HE3 H 7.803 0.030 1 190 24 24 TRP CZ2 C 114.909 0.300 1 191 24 24 TRP HZ2 H 7.562 0.030 1 192 24 24 TRP CZ3 C 122.011 0.300 1 193 24 24 TRP HZ3 H 7.265 0.030 1 194 24 24 TRP CH2 C 124.874 0.300 1 195 24 24 TRP HH2 H 7.312 0.030 1 196 24 24 TRP C C 176.715 0.300 1 197 25 25 LYS N N 128.489 0.300 1 198 25 25 LYS H H 8.898 0.030 1 199 25 25 LYS CA C 59.794 0.300 1 200 25 25 LYS HA H 3.170 0.030 1 201 25 25 LYS CB C 31.754 0.300 1 202 25 25 LYS HB2 H 1.506 0.030 2 203 25 25 LYS HB3 H 1.107 0.030 2 204 25 25 LYS CG C 25.153 0.300 1 205 25 25 LYS HG2 H 0.937 0.030 2 206 25 25 LYS HG3 H 1.099 0.030 2 207 25 25 LYS CD C 29.332 0.300 1 208 25 25 LYS HD2 H 1.554 0.030 1 209 25 25 LYS HD3 H 1.554 0.030 1 210 25 25 LYS CE C 41.979 0.300 1 211 25 25 LYS HE2 H 2.887 0.030 1 212 25 25 LYS HE3 H 2.887 0.030 1 213 25 25 LYS C C 178.478 0.300 1 214 26 26 SER CA C 60.740 0.300 1 215 26 26 SER HA H 4.015 0.030 1 216 26 26 SER CB C 61.524 0.300 1 217 26 26 SER HB2 H 3.917 0.030 2 218 26 26 SER HB3 H 3.849 0.030 2 219 26 26 SER C C 176.918 0.300 1 220 27 27 ARG N N 120.638 0.300 1 221 27 27 ARG H H 6.893 0.030 1 222 27 27 ARG CA C 57.881 0.300 1 223 27 27 ARG HA H 4.093 0.030 1 224 27 27 ARG CB C 29.682 0.300 1 225 27 27 ARG HB2 H 2.272 0.030 2 226 27 27 ARG HB3 H 2.099 0.030 2 227 27 27 ARG CG C 27.922 0.300 1 228 27 27 ARG HG2 H 2.054 0.030 2 229 27 27 ARG HG3 H 1.873 0.030 2 230 27 27 ARG CD C 42.988 0.300 1 231 27 27 ARG HD2 H 3.428 0.030 1 232 27 27 ARG HD3 H 3.428 0.030 1 233 27 27 ARG C C 178.625 0.300 1 234 28 28 LEU N N 122.539 0.300 1 235 28 28 LEU H H 7.143 0.030 1 236 28 28 LEU CA C 57.892 0.300 1 237 28 28 LEU HA H 3.096 0.030 1 238 28 28 LEU CB C 40.043 0.300 1 239 28 28 LEU HB2 H 1.199 0.030 2 240 28 28 LEU HB3 H 1.999 0.030 2 241 28 28 LEU CG C 27.531 0.300 1 242 28 28 LEU HG H 1.482 0.030 1 243 28 28 LEU CD1 C 22.975 0.300 2 244 28 28 LEU HD1 H 1.001 0.030 1 245 28 28 LEU CD2 C 26.646 0.300 2 246 28 28 LEU HD2 H 0.969 0.030 1 247 28 28 LEU C C 177.418 0.300 1 248 29 29 ARG N N 117.943 0.300 1 249 29 29 ARG H H 8.015 0.030 1 250 29 29 ARG CA C 59.184 0.300 1 251 29 29 ARG HA H 4.125 0.030 1 252 29 29 ARG CB C 29.612 0.300 1 253 29 29 ARG HB2 H 1.848 0.030 1 254 29 29 ARG HB3 H 1.848 0.030 1 255 29 29 ARG CG C 27.455 0.300 1 256 29 29 ARG HG2 H 1.704 0.030 2 257 29 29 ARG HG3 H 1.587 0.030 2 258 29 29 ARG CD C 43.228 0.300 1 259 29 29 ARG HD2 H 3.188 0.030 1 260 29 29 ARG HD3 H 3.188 0.030 1 261 29 29 ARG C C 179.325 0.300 1 262 30 30 ILE N N 118.338 0.300 1 263 30 30 ILE H H 7.320 0.030 1 264 30 30 ILE CA C 64.473 0.300 1 265 30 30 ILE HA H 3.688 0.030 1 266 30 30 ILE CB C 38.505 0.300 1 267 30 30 ILE HB H 1.754 0.030 1 268 30 30 ILE CG1 C 29.001 0.300 1 269 30 30 ILE HG12 H 1.217 0.030 2 270 30 30 ILE HG13 H 1.688 0.030 2 271 30 30 ILE CG2 C 17.340 0.300 1 272 30 30 ILE HG2 H 0.932 0.030 1 273 30 30 ILE CD1 C 12.828 0.300 1 274 30 30 ILE HD1 H 0.837 0.030 1 275 30 30 ILE C C 178.655 0.300 1 276 31 31 HIS N N 120.313 0.300 1 277 31 31 HIS H H 7.695 0.030 1 278 31 31 HIS CA C 59.398 0.300 1 279 31 31 HIS HA H 4.270 0.030 1 280 31 31 HIS CB C 28.465 0.300 1 281 31 31 HIS HB2 H 3.021 0.030 2 282 31 31 HIS HB3 H 3.207 0.030 2 283 31 31 HIS CD2 C 127.255 0.300 1 284 31 31 HIS HD2 H 6.976 0.030 1 285 31 31 HIS CE1 C 140.021 0.300 1 286 31 31 HIS HE1 H 8.056 0.030 1 287 31 31 HIS C C 177.067 0.300 1 288 32 32 GLN N N 116.561 0.300 1 289 32 32 GLN H H 8.559 0.030 1 290 32 32 GLN CA C 59.534 0.300 1 291 32 32 GLN HA H 3.729 0.030 1 292 32 32 GLN CB C 28.512 0.300 1 293 32 32 GLN HB2 H 2.339 0.030 2 294 32 32 GLN HB3 H 2.215 0.030 2 295 32 32 GLN CG C 35.659 0.300 1 296 32 32 GLN HG2 H 2.843 0.030 1 297 32 32 GLN HG3 H 2.843 0.030 1 298 32 32 GLN NE2 N 112.896 0.300 1 299 32 32 GLN HE21 H 6.957 0.030 2 300 32 32 GLN HE22 H 7.758 0.030 2 301 32 32 GLN C C 177.525 0.300 1 302 33 33 LYS N N 118.421 0.300 1 303 33 33 LYS H H 7.242 0.030 1 304 33 33 LYS CA C 58.469 0.300 1 305 33 33 LYS HA H 4.133 0.030 1 306 33 33 LYS CB C 32.009 0.300 1 307 33 33 LYS HB2 H 1.885 0.030 1 308 33 33 LYS HB3 H 1.885 0.030 1 309 33 33 LYS CG C 25.081 0.300 1 310 33 33 LYS HG2 H 1.683 0.030 2 311 33 33 LYS HG3 H 1.501 0.030 2 312 33 33 LYS CD C 29.049 0.300 1 313 33 33 LYS HD2 H 1.698 0.030 1 314 33 33 LYS HD3 H 1.698 0.030 1 315 33 33 LYS CE C 42.094 0.300 1 316 33 33 LYS HE2 H 2.975 0.030 1 317 33 33 LYS HE3 H 2.975 0.030 1 318 33 33 LYS C C 178.287 0.300 1 319 34 34 CYS N N 115.499 0.300 1 320 34 34 CYS H H 7.930 0.030 1 321 34 34 CYS CA C 60.410 0.300 1 322 34 34 CYS HA H 4.349 0.030 1 323 34 34 CYS CB C 26.603 0.300 1 324 34 34 CYS HB2 H 2.809 0.030 2 325 34 34 CYS HB3 H 2.641 0.030 2 326 34 34 CYS C C 175.397 0.300 1 327 35 35 HIS N N 119.063 0.300 1 328 35 35 HIS H H 7.391 0.030 1 329 35 35 HIS CA C 55.026 0.300 1 330 35 35 HIS HA H 4.926 0.030 1 331 35 35 HIS CB C 28.797 0.300 1 332 35 35 HIS HB2 H 3.280 0.030 2 333 35 35 HIS HB3 H 3.199 0.030 2 334 35 35 HIS CD2 C 127.949 0.300 1 335 35 35 HIS HD2 H 6.804 0.030 1 336 35 35 HIS CE1 C 139.845 0.300 1 337 35 35 HIS HE1 H 7.991 0.030 1 338 35 35 HIS C C 175.409 0.300 1 339 36 36 THR N N 112.789 0.300 1 340 36 36 THR H H 7.775 0.030 1 341 36 36 THR CA C 62.596 0.300 1 342 36 36 THR HA H 4.358 0.030 1 343 36 36 THR CB C 69.874 0.300 1 344 36 36 THR HB H 4.318 0.030 1 345 36 36 THR CG2 C 21.590 0.300 1 346 36 36 THR HG2 H 1.251 0.030 1 347 36 36 THR C C 175.265 0.300 1 348 37 37 GLY N N 110.969 0.300 1 349 37 37 GLY H H 8.409 0.030 1 350 37 37 GLY CA C 45.427 0.300 1 351 37 37 GLY HA2 H 4.036 0.030 2 352 37 37 GLY HA3 H 3.983 0.030 2 353 37 37 GLY C C 173.997 0.300 1 354 38 38 GLU N N 120.635 0.300 1 355 38 38 GLU H H 8.171 0.030 1 356 38 38 GLU CA C 56.637 0.300 1 357 38 38 GLU HA H 4.253 0.030 1 358 38 38 GLU CB C 30.415 0.300 1 359 38 38 GLU HB2 H 2.006 0.030 2 360 38 38 GLU HB3 H 1.926 0.030 2 361 38 38 GLU CG C 36.208 0.300 1 362 38 38 GLU HG2 H 2.268 0.030 2 363 38 38 GLU HG3 H 2.228 0.030 2 364 38 38 GLU C C 176.470 0.300 1 365 39 39 ARG N N 121.782 0.300 1 366 39 39 ARG H H 8.351 0.030 1 367 39 39 ARG CA C 56.036 0.300 1 368 39 39 ARG HA H 4.315 0.030 1 369 39 39 ARG CB C 30.779 0.300 1 370 39 39 ARG HB2 H 1.803 0.030 2 371 39 39 ARG HB3 H 1.736 0.030 2 372 39 39 ARG CG C 27.123 0.300 1 373 39 39 ARG HG2 H 1.595 0.030 1 374 39 39 ARG HG3 H 1.595 0.030 1 375 39 39 ARG CD C 43.177 0.300 1 376 39 39 ARG HD2 H 3.192 0.030 1 377 39 39 ARG HD3 H 3.192 0.030 1 378 39 39 ARG C C 176.053 0.300 1 379 40 40 HIS CD2 C 120.204 0.300 1 380 40 40 HIS HD2 H 7.030 0.030 1 381 40 40 HIS CE1 C 137.996 0.300 1 382 40 40 HIS HE1 H 7.989 0.030 1 383 42 42 GLY CA C 44.643 0.300 1 384 42 42 GLY HA2 H 4.150 0.030 1 385 42 42 GLY HA3 H 4.150 0.030 1 386 43 43 PRO CA C 63.307 0.300 1 387 43 43 PRO HA H 4.501 0.030 1 388 43 43 PRO CB C 32.245 0.300 1 389 43 43 PRO HB2 H 2.320 0.030 1 390 43 43 PRO HB3 H 2.320 0.030 1 391 43 43 PRO CG C 27.174 0.300 1 392 43 43 PRO HG2 H 2.038 0.030 1 393 43 43 PRO HG3 H 2.038 0.030 1 394 43 43 PRO CD C 49.819 0.300 1 395 43 43 PRO HD2 H 3.652 0.030 1 396 43 43 PRO HD3 H 3.652 0.030 1 397 43 43 PRO C C 174.518 0.300 1 398 44 44 SER N N 116.564 0.300 1 399 44 44 SER H H 8.531 0.030 1 400 44 44 SER CA C 58.000 0.300 1 401 44 44 SER CB C 64.116 0.300 1 stop_ save_