data_10203 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 547-579) of human Zinc finger protein 484 ; _BMRB_accession_number 10203 _BMRB_flat_file_name bmr10203.str _Entry_type original _Submission_date 2008-03-05 _Accession_date 2008-03-05 _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 Tomizawa T. . . 2 Tochio N. . . 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" 225 "13C chemical shifts" 165 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-05 original author . stop_ _Original_release_date 2009-03-05 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 547-579) 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 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGERHYECSECGK AFIQKSTLSMHQRIHRGEKP 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 ARG 12 HIS 13 TYR 14 GLU 15 CYS 16 SER 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ILE 24 GLN 25 LYS 26 SER 27 THR 28 LEU 29 SER 30 MET 31 HIS 32 GLN 33 ARG 34 ILE 35 HIS 36 ARG 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 2EMI "Solution Structure Of The C2h2 Type Zinc Finger (Region 547- 579) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 7.33e-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 P070115-44 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 0.05 % . 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 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 6 6 SER CA C 58.528 0.300 1 2 6 6 SER HA H 4.485 0.030 1 3 6 6 SER CB C 63.865 0.300 1 4 6 6 SER HB2 H 3.879 0.030 1 5 6 6 SER HB3 H 3.879 0.030 1 6 6 6 SER C C 175.149 0.300 1 7 7 7 GLY N N 110.926 0.300 1 8 7 7 GLY H H 8.464 0.030 1 9 7 7 GLY CA C 45.461 0.300 1 10 7 7 GLY HA2 H 4.019 0.030 1 11 7 7 GLY HA3 H 4.019 0.030 1 12 7 7 GLY C C 174.546 0.300 1 13 8 8 THR N N 112.839 0.300 1 14 8 8 THR H H 8.154 0.030 1 15 8 8 THR CA C 61.923 0.300 1 16 8 8 THR HA H 4.357 0.030 1 17 8 8 THR CB C 69.768 0.300 1 18 8 8 THR HB H 4.283 0.030 1 19 8 8 THR CG2 C 21.519 0.300 1 20 8 8 THR HG2 H 1.181 0.030 1 21 8 8 THR C C 175.302 0.300 1 22 9 9 GLY N N 111.223 0.300 1 23 9 9 GLY H H 8.456 0.030 1 24 9 9 GLY CA C 45.282 0.300 1 25 9 9 GLY HA2 H 3.933 0.030 1 26 9 9 GLY HA3 H 3.933 0.030 1 27 9 9 GLY C C 173.949 0.300 1 28 10 10 GLU N N 120.531 0.300 1 29 10 10 GLU H H 8.215 0.030 1 30 10 10 GLU CA C 56.445 0.300 1 31 10 10 GLU HA H 4.223 0.030 1 32 10 10 GLU CB C 30.431 0.300 1 33 10 10 GLU HB2 H 1.842 0.030 2 34 10 10 GLU HB3 H 1.944 0.030 2 35 10 10 GLU CG C 36.281 0.300 1 36 10 10 GLU HG2 H 2.211 0.030 1 37 10 10 GLU HG3 H 2.211 0.030 1 38 10 10 GLU C C 176.168 0.300 1 39 11 11 ARG N N 122.264 0.300 1 40 11 11 ARG H H 8.353 0.030 1 41 11 11 ARG CA C 55.619 0.300 1 42 11 11 ARG HA H 4.214 0.030 1 43 11 11 ARG CB C 30.650 0.300 1 44 11 11 ARG HB2 H 1.643 0.030 1 45 11 11 ARG HB3 H 1.643 0.030 1 46 11 11 ARG CG C 26.927 0.300 1 47 11 11 ARG HG2 H 1.449 0.030 1 48 11 11 ARG HG3 H 1.449 0.030 1 49 11 11 ARG CD C 43.278 0.300 1 50 11 11 ARG HD2 H 3.104 0.030 1 51 11 11 ARG HD3 H 3.104 0.030 1 52 11 11 ARG C C 174.908 0.300 1 53 12 12 HIS N N 119.171 0.300 1 54 12 12 HIS H H 7.945 0.030 1 55 12 12 HIS CA C 55.289 0.300 1 56 12 12 HIS HA H 4.649 0.030 1 57 12 12 HIS CB C 31.520 0.300 1 58 12 12 HIS HB2 H 2.823 0.030 2 59 12 12 HIS HB3 H 2.908 0.030 2 60 12 12 HIS CD2 C 119.303 0.300 1 61 12 12 HIS HD2 H 6.799 0.030 1 62 12 12 HIS CE1 C 137.841 0.300 1 63 12 12 HIS HE1 H 7.918 0.030 1 64 12 12 HIS C C 173.771 0.300 1 65 13 13 TYR N N 121.025 0.300 1 66 13 13 TYR H H 8.713 0.030 1 67 13 13 TYR CA C 57.433 0.300 1 68 13 13 TYR HA H 4.636 0.030 1 69 13 13 TYR CB C 39.706 0.300 1 70 13 13 TYR HB2 H 2.700 0.030 2 71 13 13 TYR HB3 H 3.038 0.030 2 72 13 13 TYR CD1 C 133.387 0.300 1 73 13 13 TYR HD1 H 6.989 0.030 1 74 13 13 TYR CD2 C 133.387 0.300 1 75 13 13 TYR HD2 H 6.989 0.030 1 76 13 13 TYR CE1 C 118.151 0.300 1 77 13 13 TYR HE1 H 6.826 0.030 1 78 13 13 TYR CE2 C 118.151 0.300 1 79 13 13 TYR HE2 H 6.826 0.030 1 80 13 13 TYR C C 174.850 0.300 1 81 14 14 GLU N N 123.621 0.300 1 82 14 14 GLU H H 8.762 0.030 1 83 14 14 GLU CA C 55.073 0.300 1 84 14 14 GLU HA H 4.949 0.030 1 85 14 14 GLU CB C 32.760 0.300 1 86 14 14 GLU HB2 H 1.812 0.030 1 87 14 14 GLU HB3 H 1.812 0.030 1 88 14 14 GLU CG C 36.660 0.300 1 89 14 14 GLU HG2 H 1.981 0.030 1 90 14 14 GLU HG3 H 1.981 0.030 1 91 14 14 GLU C C 175.487 0.300 1 92 15 15 CYS N N 126.353 0.300 1 93 15 15 CYS H H 9.253 0.030 1 94 15 15 CYS CA C 59.508 0.300 1 95 15 15 CYS HA H 4.580 0.030 1 96 15 15 CYS CB C 29.646 0.300 1 97 15 15 CYS HB2 H 2.889 0.030 2 98 15 15 CYS HB3 H 3.426 0.030 2 99 15 15 CYS C C 177.465 0.300 1 100 16 16 SER CA C 60.968 0.300 1 101 16 16 SER HA H 4.291 0.030 1 102 16 16 SER CB C 63.017 0.300 1 103 16 16 SER HB2 H 4.032 0.030 1 104 16 16 SER HB3 H 4.032 0.030 1 105 16 16 SER C C 174.550 0.300 1 106 17 17 GLU N N 122.749 0.300 1 107 17 17 GLU H H 8.679 0.030 1 108 17 17 GLU CA C 58.170 0.300 1 109 17 17 GLU HA H 4.252 0.030 1 110 17 17 GLU CB C 29.693 0.300 1 111 17 17 GLU HB2 H 1.288 0.030 2 112 17 17 GLU HB3 H 1.387 0.030 2 113 17 17 GLU CG C 36.248 0.300 1 114 17 17 GLU HG2 H 1.833 0.030 2 115 17 17 GLU HG3 H 1.952 0.030 2 116 17 17 GLU C C 177.114 0.300 1 117 18 18 CYS N N 114.770 0.300 1 118 18 18 CYS H H 7.892 0.030 1 119 18 18 CYS CA C 58.423 0.300 1 120 18 18 CYS HA H 5.160 0.030 1 121 18 18 CYS CB C 32.475 0.300 1 122 18 18 CYS HB2 H 2.858 0.030 2 123 18 18 CYS HB3 H 3.434 0.030 2 124 18 18 CYS C C 176.207 0.300 1 125 19 19 GLY N N 113.459 0.300 1 126 19 19 GLY H H 8.233 0.030 1 127 19 19 GLY CA C 46.185 0.300 1 128 19 19 GLY HA2 H 3.869 0.030 2 129 19 19 GLY HA3 H 4.218 0.030 2 130 19 19 GLY C C 173.698 0.300 1 131 20 20 LYS N N 122.669 0.300 1 132 20 20 LYS H H 7.913 0.030 1 133 20 20 LYS CA C 58.015 0.300 1 134 20 20 LYS HA H 3.946 0.030 1 135 20 20 LYS CB C 33.818 0.300 1 136 20 20 LYS HB2 H 1.220 0.030 2 137 20 20 LYS HB3 H 1.444 0.030 2 138 20 20 LYS CG C 26.158 0.300 1 139 20 20 LYS HG2 H 1.079 0.030 2 140 20 20 LYS HG3 H 1.418 0.030 2 141 20 20 LYS CD C 29.325 0.300 1 142 20 20 LYS HD2 H 1.527 0.030 2 143 20 20 LYS HD3 H 1.450 0.030 2 144 20 20 LYS CE C 42.193 0.300 1 145 20 20 LYS HE2 H 2.908 0.030 2 146 20 20 LYS HE3 H 2.977 0.030 2 147 20 20 LYS C C 173.787 0.300 1 148 21 21 ALA N N 123.558 0.300 1 149 21 21 ALA H H 7.862 0.030 1 150 21 21 ALA CA C 50.537 0.300 1 151 21 21 ALA HA H 5.010 0.030 1 152 21 21 ALA CB C 21.863 0.300 1 153 21 21 ALA HB H 1.090 0.030 1 154 21 21 ALA C C 176.488 0.300 1 155 22 22 PHE N N 117.848 0.300 1 156 22 22 PHE H H 8.649 0.030 1 157 22 22 PHE CA C 57.125 0.300 1 158 22 22 PHE HA H 4.749 0.030 1 159 22 22 PHE CB C 43.540 0.300 1 160 22 22 PHE HB2 H 2.607 0.030 2 161 22 22 PHE HB3 H 3.410 0.030 2 162 22 22 PHE CD1 C 132.668 0.300 1 163 22 22 PHE HD1 H 7.229 0.030 1 164 22 22 PHE CD2 C 132.668 0.300 1 165 22 22 PHE HD2 H 7.229 0.030 1 166 22 22 PHE CE1 C 130.531 0.300 1 167 22 22 PHE HE1 H 6.806 0.030 1 168 22 22 PHE CE2 C 130.531 0.300 1 169 22 22 PHE HE2 H 6.806 0.030 1 170 22 22 PHE CZ C 128.527 0.300 1 171 22 22 PHE HZ H 6.155 0.030 1 172 22 22 PHE C C 175.470 0.300 1 173 23 23 ILE N N 118.637 0.300 1 174 23 23 ILE H H 8.795 0.030 1 175 23 23 ILE CA C 62.569 0.300 1 176 23 23 ILE HA H 4.413 0.030 1 177 23 23 ILE CB C 38.735 0.300 1 178 23 23 ILE HB H 2.055 0.030 1 179 23 23 ILE CG1 C 28.000 0.300 1 180 23 23 ILE HG12 H 1.259 0.030 2 181 23 23 ILE HG13 H 1.519 0.030 2 182 23 23 ILE CG2 C 17.895 0.300 1 183 23 23 ILE HG2 H 0.983 0.030 1 184 23 23 ILE CD1 C 13.284 0.300 1 185 23 23 ILE HD1 H 0.882 0.030 1 186 23 23 ILE C C 175.892 0.300 1 187 24 24 GLN N N 115.722 0.300 1 188 24 24 GLN H H 7.552 0.030 1 189 24 24 GLN CA C 54.181 0.300 1 190 24 24 GLN HA H 4.813 0.030 1 191 24 24 GLN CB C 31.481 0.300 1 192 24 24 GLN HB2 H 2.144 0.030 2 193 24 24 GLN HB3 H 2.242 0.030 2 194 24 24 GLN CG C 33.961 0.300 1 195 24 24 GLN HG2 H 2.425 0.030 1 196 24 24 GLN HG3 H 2.425 0.030 1 197 24 24 GLN NE2 N 111.942 0.300 1 198 24 24 GLN HE21 H 6.944 0.030 2 199 24 24 GLN HE22 H 7.463 0.030 2 200 24 24 GLN C C 175.651 0.300 1 201 25 25 LYS N N 125.530 0.300 1 202 25 25 LYS H H 8.527 0.030 1 203 25 25 LYS CA C 59.400 0.300 1 204 25 25 LYS HA H 3.168 0.030 1 205 25 25 LYS CB C 31.725 0.300 1 206 25 25 LYS HB2 H 1.151 0.030 2 207 25 25 LYS HB3 H 1.483 0.030 2 208 25 25 LYS CG C 25.010 0.300 1 209 25 25 LYS HG2 H 0.960 0.030 2 210 25 25 LYS HG3 H 1.057 0.030 2 211 25 25 LYS CD C 29.126 0.300 1 212 25 25 LYS HD2 H 1.470 0.030 2 213 25 25 LYS HD3 H 1.536 0.030 2 214 25 25 LYS CE C 42.045 0.300 1 215 25 25 LYS HE2 H 2.863 0.030 1 216 25 25 LYS HE3 H 2.863 0.030 1 217 25 25 LYS C C 178.710 0.300 1 218 26 26 SER CA C 60.794 0.300 1 219 26 26 SER HA H 4.049 0.030 1 220 26 26 SER CB C 61.478 0.300 1 221 26 26 SER HB2 H 3.855 0.030 1 222 26 26 SER HB3 H 3.855 0.030 1 223 26 26 SER C C 177.149 0.300 1 224 27 27 THR N N 118.548 0.300 1 225 27 27 THR H H 7.008 0.030 1 226 27 27 THR CA C 65.197 0.300 1 227 27 27 THR HA H 3.907 0.030 1 228 27 27 THR CB C 67.801 0.300 1 229 27 27 THR HB H 4.176 0.030 1 230 27 27 THR CG2 C 24.200 0.300 1 231 27 27 THR HG2 H 1.309 0.030 1 232 27 27 THR C C 176.751 0.300 1 233 28 28 LEU N N 123.662 0.300 1 234 28 28 LEU H H 7.093 0.030 1 235 28 28 LEU CA C 58.213 0.300 1 236 28 28 LEU HA H 3.176 0.030 1 237 28 28 LEU CB C 39.863 0.300 1 238 28 28 LEU HB2 H 1.972 0.030 2 239 28 28 LEU HB3 H 1.241 0.030 2 240 28 28 LEU CG C 27.532 0.300 1 241 28 28 LEU HG H 1.462 0.030 1 242 28 28 LEU CD1 C 26.645 0.300 2 243 28 28 LEU HD1 H 0.944 0.030 1 244 28 28 LEU CD2 C 22.887 0.300 2 245 28 28 LEU HD2 H 0.993 0.030 1 246 28 28 LEU C C 177.749 0.300 1 247 29 29 SER N N 114.674 0.300 1 248 29 29 SER H H 8.358 0.030 1 249 29 29 SER CA C 61.767 0.300 1 250 29 29 SER HA H 4.257 0.030 1 251 29 29 SER CB C 62.473 0.300 1 252 29 29 SER HB2 H 4.262 0.030 2 253 29 29 SER HB3 H 3.887 0.030 2 254 29 29 SER C C 177.197 0.300 1 255 30 30 MET N N 119.515 0.300 1 256 30 30 MET H H 7.554 0.030 1 257 30 30 MET CA C 58.170 0.300 1 258 30 30 MET HA H 4.152 0.030 1 259 30 30 MET CB C 31.955 0.300 1 260 30 30 MET HB2 H 2.572 0.030 2 261 30 30 MET HB3 H 2.640 0.030 2 262 30 30 MET CG C 32.238 0.300 1 263 30 30 MET HG2 H 2.095 0.030 1 264 30 30 MET HG3 H 2.095 0.030 1 265 30 30 MET CE C 16.918 0.300 1 266 30 30 MET HE H 2.045 0.030 1 267 30 30 MET C C 178.556 0.300 1 268 31 31 HIS N N 120.563 0.300 1 269 31 31 HIS H H 7.889 0.030 1 270 31 31 HIS CA C 59.232 0.300 1 271 31 31 HIS HA H 4.172 0.030 1 272 31 31 HIS CB C 28.113 0.300 1 273 31 31 HIS HB2 H 2.894 0.030 2 274 31 31 HIS HB3 H 3.199 0.030 2 275 31 31 HIS CD2 C 127.224 0.300 1 276 31 31 HIS HD2 H 6.938 0.030 1 277 31 31 HIS CE1 C 139.538 0.300 1 278 31 31 HIS HE1 H 8.017 0.030 1 279 31 31 HIS C C 176.443 0.300 1 280 32 32 GLN N N 115.497 0.300 1 281 32 32 GLN H H 8.418 0.030 1 282 32 32 GLN CA C 59.471 0.300 1 283 32 32 GLN HA H 3.685 0.030 1 284 32 32 GLN CB C 28.425 0.300 1 285 32 32 GLN HB2 H 2.326 0.030 2 286 32 32 GLN HB3 H 2.175 0.030 2 287 32 32 GLN CG C 35.531 0.300 1 288 32 32 GLN HG2 H 2.827 0.030 1 289 32 32 GLN HG3 H 2.827 0.030 1 290 32 32 GLN NE2 N 112.840 0.300 1 291 32 32 GLN HE21 H 7.065 0.030 2 292 32 32 GLN HE22 H 7.745 0.030 2 293 32 32 GLN C C 177.567 0.300 1 294 33 33 ARG N N 117.423 0.300 1 295 33 33 ARG H H 7.210 0.030 1 296 33 33 ARG CA C 59.089 0.300 1 297 33 33 ARG HA H 3.923 0.030 1 298 33 33 ARG CB C 30.078 0.300 1 299 33 33 ARG HB2 H 1.826 0.030 2 300 33 33 ARG HB3 H 1.872 0.030 2 301 33 33 ARG CG C 27.472 0.300 1 302 33 33 ARG HG2 H 1.671 0.030 2 303 33 33 ARG HG3 H 1.876 0.030 2 304 33 33 ARG CD C 43.624 0.300 1 305 33 33 ARG HD2 H 3.212 0.030 2 306 33 33 ARG C C 178.760 0.300 1 307 34 34 ILE N N 116.545 0.300 1 308 34 34 ILE H H 7.752 0.030 1 309 34 34 ILE CA C 63.271 0.300 1 310 34 34 ILE HA H 3.948 0.030 1 311 34 34 ILE CB C 37.597 0.300 1 312 34 34 ILE HB H 1.695 0.030 1 313 34 34 ILE CG1 C 26.875 0.300 1 314 34 34 ILE HG12 H 0.860 0.030 2 315 34 34 ILE HG13 H 0.955 0.030 2 316 34 34 ILE CG2 C 16.507 0.300 1 317 34 34 ILE HG2 H 0.597 0.030 1 318 34 34 ILE CD1 C 14.128 0.300 1 319 34 34 ILE HD1 H 0.705 0.030 1 320 34 34 ILE C C 177.960 0.300 1 321 35 35 HIS N N 117.514 0.300 1 322 35 35 HIS H H 7.073 0.030 1 323 35 35 HIS CA C 55.599 0.300 1 324 35 35 HIS HA H 4.745 0.030 1 325 35 35 HIS CB C 28.499 0.300 1 326 35 35 HIS HB2 H 3.172 0.030 2 327 35 35 HIS HB3 H 3.363 0.030 2 328 35 35 HIS CD2 C 127.569 0.300 1 329 35 35 HIS HD2 H 6.696 0.030 1 330 35 35 HIS CE1 C 140.084 0.300 1 331 35 35 HIS HE1 H 8.049 0.030 1 332 35 35 HIS C C 175.514 0.300 1 333 36 36 ARG N N 118.480 0.300 1 334 36 36 ARG H H 7.543 0.030 1 335 36 36 ARG CA C 56.414 0.300 1 336 36 36 ARG HA H 4.409 0.030 1 337 36 36 ARG CB C 30.891 0.300 1 338 36 36 ARG HB2 H 1.842 0.030 2 339 36 36 ARG HB3 H 1.982 0.030 2 340 36 36 ARG CG C 26.975 0.300 1 341 36 36 ARG HG2 H 1.679 0.030 1 342 36 36 ARG HG3 H 1.679 0.030 1 343 36 36 ARG CD C 43.588 0.300 1 344 36 36 ARG HD2 H 3.211 0.030 1 345 36 36 ARG HD3 H 3.211 0.030 1 346 36 36 ARG C C 176.661 0.300 1 347 37 37 GLY N N 108.655 0.300 1 348 37 37 GLY H H 8.122 0.030 1 349 37 37 GLY CA C 45.393 0.300 1 350 37 37 GLY HA2 H 3.969 0.030 1 351 37 37 GLY HA3 H 3.969 0.030 1 352 37 37 GLY C C 174.101 0.300 1 353 38 38 GLU N N 120.249 0.300 1 354 38 38 GLU H H 8.035 0.030 1 355 38 38 GLU CA C 56.257 0.300 1 356 38 38 GLU HA H 4.280 0.030 1 357 38 38 GLU CB C 30.620 0.300 1 358 38 38 GLU HB2 H 2.003 0.030 2 359 38 38 GLU HB3 H 1.890 0.030 2 360 38 38 GLU CG C 36.271 0.300 1 361 38 38 GLU HG2 H 2.225 0.030 1 362 38 38 GLU HG3 H 2.225 0.030 1 363 38 38 GLU C C 176.208 0.300 1 364 39 39 LYS N N 123.351 0.300 1 365 39 39 LYS H H 8.388 0.030 1 366 39 39 LYS CA C 54.120 0.300 1 367 39 39 LYS HA H 4.601 0.030 1 368 39 39 LYS CB C 32.529 0.300 1 369 39 39 LYS HB2 H 1.732 0.030 2 370 39 39 LYS HB3 H 1.817 0.030 2 371 39 39 LYS CG C 24.518 0.300 1 372 39 39 LYS HG2 H 1.460 0.030 1 373 39 39 LYS HG3 H 1.460 0.030 1 374 39 39 LYS CD C 29.181 0.300 1 375 39 39 LYS HD2 H 1.681 0.030 1 376 39 39 LYS HD3 H 1.681 0.030 1 377 39 39 LYS CE C 42.184 0.300 1 378 39 39 LYS HE2 H 2.985 0.030 1 379 39 39 LYS HE3 H 2.985 0.030 1 380 39 39 LYS C C 174.534 0.300 1 381 40 40 PRO CA C 63.272 0.300 1 382 40 40 PRO HA H 4.457 0.030 1 383 40 40 PRO CB C 32.172 0.300 1 384 40 40 PRO HB2 H 1.941 0.030 2 385 40 40 PRO HB3 H 2.300 0.030 2 386 40 40 PRO CG C 27.415 0.300 1 387 40 40 PRO HG2 H 1.997 0.030 2 388 40 40 PRO HG3 H 2.035 0.030 2 389 40 40 PRO CD C 50.666 0.300 1 390 40 40 PRO HD2 H 3.812 0.030 2 391 40 40 PRO HD3 H 3.646 0.030 2 392 40 40 PRO C C 176.936 0.300 1 393 41 41 SER N N 116.372 0.300 1 394 41 41 SER H H 8.453 0.030 1 395 41 41 SER CA C 58.319 0.300 1 396 41 41 SER HA H 4.479 0.030 1 397 41 41 SER CB C 63.968 0.300 1 398 41 41 SER HB2 H 3.888 0.030 2 399 41 41 SER C C 174.592 0.300 1 400 42 42 GLY CA C 44.667 0.300 1 401 42 42 GLY HA2 H 4.124 0.030 1 402 42 42 GLY HA3 H 4.124 0.030 1 403 43 43 PRO CA C 63.273 0.300 1 404 43 43 PRO HA H 4.461 0.030 1 405 43 43 PRO CB C 32.217 0.300 1 406 43 43 PRO HB2 H 2.276 0.030 2 407 43 43 PRO HB3 H 1.970 0.030 2 408 43 43 PRO CG C 27.177 0.300 1 409 43 43 PRO HG2 H 2.012 0.030 1 410 43 43 PRO HG3 H 2.012 0.030 1 411 43 43 PRO CD C 49.795 0.300 1 412 43 43 PRO HD2 H 3.618 0.030 1 413 43 43 PRO HD3 H 3.618 0.030 1 414 45 45 SER CA C 58.367 0.300 1 415 45 45 SER HA H 4.466 0.030 1 416 45 45 SER CB C 63.999 0.300 1 417 45 45 SER HB2 H 3.887 0.030 1 418 45 45 SER HB3 H 3.887 0.030 1 419 45 45 SER C C 173.901 0.300 1 420 46 46 GLY N N 116.846 0.300 1 421 46 46 GLY H H 8.050 0.030 1 422 46 46 GLY CA C 46.202 0.300 1 423 46 46 GLY HA2 H 3.744 0.030 2 424 46 46 GLY HA3 H 3.790 0.030 2 425 46 46 GLY C C 178.965 0.300 1 stop_ save_