data_10222 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 775-807) of human Zinc finger protein 268 ; _BMRB_accession_number 10222 _BMRB_flat_file_name bmr10222.str _Entry_type original _Submission_date 2008-05-22 _Accession_date 2008-05-22 _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" 208 "13C chemical shifts" 147 "15N chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-29 original author . stop_ _Original_release_date 2009-05-29 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 775-807) 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 $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common zf-C2H2 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGAGEKPYGCSECGK AFSSKSYLIIHMRTHSGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 GLY 15 CYS 16 SER 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 SER 24 SER 25 LYS 26 SER 27 TYR 28 LEU 29 ILE 30 ILE 31 HIS 32 MET 33 ARG 34 THR 35 HIS 36 SER 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 2YTQ "Solution Structure Of The C2h2 Type Zinc Finger (Region 775- 807) Of Human Zinc Finger Protein 268" 100.00 46 100.00 100.00 1.42e-21 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 P061218-19 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 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 _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 HA2 H 3.934 0.030 1 2 7 7 GLY HA3 H 3.934 0.030 1 3 7 7 GLY C C 173.995 0.300 1 4 7 7 GLY CA C 45.347 0.300 1 5 8 8 ALA H H 8.206 0.030 1 6 8 8 ALA HA H 4.287 0.030 1 7 8 8 ALA HB H 1.342 0.030 1 8 8 8 ALA C C 178.191 0.300 1 9 8 8 ALA CA C 52.640 0.300 1 10 8 8 ALA CB C 19.260 0.300 1 11 8 8 ALA N N 123.916 0.300 1 12 9 9 GLY H H 8.350 0.030 1 13 9 9 GLY HA2 H 3.879 0.030 1 14 9 9 GLY HA3 H 3.879 0.030 1 15 9 9 GLY C C 174.064 0.300 1 16 9 9 GLY CA C 45.102 0.300 1 17 9 9 GLY N N 107.995 0.300 1 18 10 10 GLU H H 8.187 0.030 1 19 10 10 GLU HA H 4.163 0.030 1 20 10 10 GLU HB2 H 1.970 0.030 2 21 10 10 GLU HB3 H 1.885 0.030 2 22 10 10 GLU HG2 H 2.228 0.030 2 23 10 10 GLU HG3 H 2.189 0.030 2 24 10 10 GLU C C 176.513 0.300 1 25 10 10 GLU CA C 56.755 0.300 1 26 10 10 GLU CB C 30.372 0.300 1 27 10 10 GLU CG C 36.229 0.300 1 28 10 10 GLU N N 120.089 0.300 1 29 11 11 LYS H H 8.308 0.030 1 30 11 11 LYS HA H 4.435 0.030 1 31 11 11 LYS HB2 H 1.517 0.030 2 32 11 11 LYS HB3 H 1.344 0.030 2 33 11 11 LYS HD2 H 1.422 0.030 1 34 11 11 LYS HD3 H 1.422 0.030 1 35 11 11 LYS HE2 H 2.877 0.030 1 36 11 11 LYS HE3 H 2.877 0.030 1 37 11 11 LYS HG2 H 1.268 0.030 2 38 11 11 LYS HG3 H 1.108 0.030 2 39 11 11 LYS C C 173.740 0.300 1 40 11 11 LYS CA C 53.707 0.300 1 41 11 11 LYS CB C 32.998 0.300 1 42 11 11 LYS CD C 29.393 0.300 1 43 11 11 LYS CE C 42.184 0.300 1 44 11 11 LYS CG C 24.799 0.300 1 45 11 11 LYS N N 121.349 0.300 1 46 12 12 PRO HA H 4.250 0.030 1 47 12 12 PRO HB2 H 1.975 0.030 2 48 12 12 PRO HB3 H 1.196 0.030 2 49 12 12 PRO HD2 H 3.567 0.030 2 50 12 12 PRO HD3 H 3.532 0.030 2 51 12 12 PRO HG2 H 1.748 0.030 2 52 12 12 PRO HG3 H 1.546 0.030 2 53 12 12 PRO C C 176.405 0.300 1 54 12 12 PRO CA C 63.446 0.300 1 55 12 12 PRO CB C 32.187 0.300 1 56 12 12 PRO CD C 50.225 0.300 1 57 12 12 PRO CG C 26.615 0.300 1 58 13 13 TYR H H 7.900 0.030 1 59 13 13 TYR HA H 4.635 0.030 1 60 13 13 TYR HB2 H 2.925 0.030 2 61 13 13 TYR HB3 H 2.813 0.030 2 62 13 13 TYR HD1 H 7.000 0.030 1 63 13 13 TYR HD2 H 7.000 0.030 1 64 13 13 TYR HE1 H 6.835 0.030 1 65 13 13 TYR HE2 H 6.835 0.030 1 66 13 13 TYR C C 175.154 0.300 1 67 13 13 TYR CA C 57.184 0.300 1 68 13 13 TYR CB C 38.108 0.300 1 69 13 13 TYR CD1 C 133.082 0.300 1 70 13 13 TYR CD2 C 133.082 0.300 1 71 13 13 TYR CE1 C 118.375 0.300 1 72 13 13 TYR CE2 C 118.375 0.300 1 73 13 13 TYR N N 118.220 0.300 1 74 14 14 GLY H H 8.456 0.030 1 75 14 14 GLY HA2 H 3.594 0.030 2 76 14 14 GLY HA3 H 4.707 0.030 2 77 14 14 GLY C C 172.853 0.300 1 78 14 14 GLY CA C 44.490 0.300 1 79 14 14 GLY N N 111.867 0.300 1 80 15 15 CYS H H 9.062 0.030 1 81 15 15 CYS HA H 4.671 0.030 1 82 15 15 CYS HB2 H 3.383 0.030 2 83 15 15 CYS HB3 H 2.842 0.030 2 84 15 15 CYS C C 177.727 0.300 1 85 15 15 CYS CA C 59.128 0.300 1 86 15 15 CYS CB C 30.051 0.300 1 87 15 15 CYS N N 124.910 0.300 1 88 16 16 SER H H 9.141 0.030 1 89 16 16 SER HA H 4.233 0.030 1 90 16 16 SER HB2 H 4.019 0.030 2 91 16 16 SER HB3 H 3.948 0.030 2 92 16 16 SER C C 174.558 0.300 1 93 16 16 SER CA C 60.751 0.300 1 94 16 16 SER CB C 63.002 0.300 1 95 16 16 SER N N 127.649 0.300 1 96 17 17 GLU H H 8.995 0.030 1 97 17 17 GLU HA H 4.232 0.030 1 98 17 17 GLU HB2 H 1.400 0.030 2 99 17 17 GLU HB3 H 1.211 0.030 2 100 17 17 GLU HG2 H 1.835 0.030 2 101 17 17 GLU HG3 H 1.796 0.030 2 102 17 17 GLU C C 177.147 0.300 1 103 17 17 GLU CA C 57.745 0.300 1 104 17 17 GLU CB C 29.520 0.300 1 105 17 17 GLU CG C 35.511 0.300 1 106 17 17 GLU N N 123.716 0.300 1 107 18 18 CYS H H 8.235 0.030 1 108 18 18 CYS HA H 5.138 0.030 1 109 18 18 CYS HB2 H 2.865 0.030 2 110 18 18 CYS HB3 H 3.408 0.030 2 111 18 18 CYS C C 176.193 0.300 1 112 18 18 CYS CA C 58.406 0.300 1 113 18 18 CYS CB C 32.419 0.300 1 114 18 18 CYS N N 116.049 0.300 1 115 19 19 GLY H H 8.053 0.030 1 116 19 19 GLY HA2 H 3.839 0.030 2 117 19 19 GLY HA3 H 4.189 0.030 2 118 19 19 GLY C C 174.331 0.300 1 119 19 19 GLY CA C 46.163 0.300 1 120 19 19 GLY N N 112.495 0.300 1 121 20 20 LYS H H 7.977 0.030 1 122 20 20 LYS HA H 3.960 0.030 1 123 20 20 LYS HB2 H 1.356 0.030 2 124 20 20 LYS HB3 H 1.252 0.030 2 125 20 20 LYS HD2 H 1.513 0.030 1 126 20 20 LYS HD3 H 1.513 0.030 1 127 20 20 LYS HE2 H 2.969 0.030 2 128 20 20 LYS HE3 H 2.940 0.030 2 129 20 20 LYS HG2 H 1.486 0.030 2 130 20 20 LYS HG3 H 1.162 0.030 2 131 20 20 LYS C C 173.565 0.300 1 132 20 20 LYS CA C 58.093 0.300 1 133 20 20 LYS CB C 33.855 0.300 1 134 20 20 LYS CD C 29.316 0.300 1 135 20 20 LYS CE C 42.191 0.300 1 136 20 20 LYS CG C 26.416 0.300 1 137 20 20 LYS N N 123.456 0.300 1 138 21 21 ALA H H 7.712 0.030 1 139 21 21 ALA HA H 5.014 0.030 1 140 21 21 ALA HB H 1.154 0.030 1 141 21 21 ALA C C 176.067 0.300 1 142 21 21 ALA CA C 50.593 0.300 1 143 21 21 ALA CB C 22.078 0.300 1 144 21 21 ALA N N 122.924 0.300 1 145 22 22 PHE H H 8.402 0.030 1 146 22 22 PHE HA H 4.736 0.030 1 147 22 22 PHE HB2 H 2.875 0.030 2 148 22 22 PHE HB3 H 3.417 0.030 2 149 22 22 PHE HD1 H 7.274 0.030 1 150 22 22 PHE HD2 H 7.274 0.030 1 151 22 22 PHE HE1 H 6.803 0.030 1 152 22 22 PHE HE2 H 6.803 0.030 1 153 22 22 PHE HZ H 6.185 0.030 1 154 22 22 PHE C C 175.978 0.300 1 155 22 22 PHE CA C 57.326 0.300 1 156 22 22 PHE CB C 44.297 0.300 1 157 22 22 PHE CD1 C 132.202 0.300 1 158 22 22 PHE CD2 C 132.202 0.300 1 159 22 22 PHE CE1 C 130.830 0.300 1 160 22 22 PHE CE2 C 130.830 0.300 1 161 22 22 PHE CZ C 128.853 0.300 1 162 22 22 PHE N N 116.160 0.300 1 163 23 23 SER H H 9.393 0.030 1 164 23 23 SER HA H 4.610 0.030 1 165 23 23 SER HB2 H 4.197 0.030 2 166 23 23 SER HB3 H 4.006 0.030 2 167 23 23 SER CA C 59.987 0.300 1 168 23 23 SER CB C 64.120 0.300 1 169 23 23 SER N N 114.844 0.300 1 170 24 24 SER H H 7.438 0.030 1 171 24 24 SER HA H 4.680 0.030 1 172 24 24 SER HB2 H 3.876 0.030 2 173 24 24 SER HB3 H 3.645 0.030 2 174 24 24 SER CA C 56.126 0.300 1 175 24 24 SER CB C 66.262 0.300 1 176 24 24 SER N N 113.000 0.300 1 177 25 25 LYS H H 8.371 0.030 1 178 25 25 LYS HA H 3.283 0.030 1 179 25 25 LYS HB2 H 1.531 0.030 2 180 25 25 LYS HB3 H 1.222 0.030 2 181 25 25 LYS HD2 H 1.580 0.030 1 182 25 25 LYS HD3 H 1.580 0.030 1 183 25 25 LYS HE2 H 2.896 0.030 1 184 25 25 LYS HE3 H 2.896 0.030 1 185 25 25 LYS HG2 H 1.212 0.030 2 186 25 25 LYS HG3 H 1.081 0.030 2 187 25 25 LYS CA C 58.883 0.300 1 188 25 25 LYS CB C 31.758 0.300 1 189 25 25 LYS CD C 29.179 0.300 1 190 25 25 LYS CE C 42.014 0.300 1 191 25 25 LYS CG C 24.949 0.300 1 192 25 25 LYS N N 125.320 0.300 1 193 26 26 SER H H 8.141 0.030 1 194 26 26 SER HA H 3.938 0.030 1 195 26 26 SER HB2 H 3.638 0.030 1 196 26 26 SER HB3 H 3.638 0.030 1 197 26 26 SER C C 176.936 0.300 1 198 26 26 SER CA C 61.420 0.300 1 199 26 26 SER CB C 61.954 0.300 1 200 26 26 SER N N 113.202 0.300 1 201 27 27 TYR H H 7.289 0.030 1 202 27 27 TYR HA H 4.277 0.030 1 203 27 27 TYR HB2 H 3.139 0.030 2 204 27 27 TYR HB3 H 3.002 0.030 2 205 27 27 TYR HD1 H 7.158 0.030 1 206 27 27 TYR HD2 H 7.158 0.030 1 207 27 27 TYR HE1 H 6.838 0.030 1 208 27 27 TYR HE2 H 6.838 0.030 1 209 27 27 TYR C C 178.485 0.300 1 210 27 27 TYR CA C 59.473 0.300 1 211 27 27 TYR CB C 37.432 0.300 1 212 27 27 TYR CD1 C 132.157 0.300 1 213 27 27 TYR CD2 C 132.157 0.300 1 214 27 27 TYR CE1 C 118.336 0.300 1 215 27 27 TYR CE2 C 118.336 0.300 1 216 27 27 TYR N N 119.334 0.300 1 217 28 28 LEU H H 7.331 0.030 1 218 28 28 LEU HA H 3.427 0.030 1 219 28 28 LEU HB2 H 2.107 0.030 2 220 28 28 LEU HB3 H 1.411 0.030 2 221 28 28 LEU HD1 H 1.029 0.030 1 222 28 28 LEU HD2 H 1.029 0.030 1 223 28 28 LEU HG H 1.568 0.030 1 224 28 28 LEU C C 177.513 0.300 1 225 28 28 LEU CA C 58.079 0.300 1 226 28 28 LEU CB C 40.642 0.300 1 227 28 28 LEU CD1 C 22.806 0.300 2 228 28 28 LEU CD2 C 26.496 0.300 2 229 28 28 LEU CG C 27.610 0.300 1 230 28 28 LEU N N 122.412 0.300 1 231 29 29 ILE H H 8.252 0.030 1 232 29 29 ILE HA H 3.553 0.030 1 233 29 29 ILE HB H 1.841 0.030 1 234 29 29 ILE HD1 H 0.750 0.030 1 235 29 29 ILE HG12 H 1.168 0.030 2 236 29 29 ILE HG13 H 1.573 0.030 2 237 29 29 ILE HG2 H 0.830 0.030 1 238 29 29 ILE C C 179.076 0.300 1 239 29 29 ILE CA C 65.256 0.300 1 240 29 29 ILE CB C 37.648 0.300 1 241 29 29 ILE CD1 C 12.892 0.300 1 242 29 29 ILE CG1 C 29.174 0.300 1 243 29 29 ILE CG2 C 17.064 0.300 1 244 29 29 ILE N N 120.098 0.300 1 245 30 30 ILE H H 7.366 0.030 1 246 30 30 ILE HA H 3.509 0.030 1 247 30 30 ILE HB H 1.672 0.030 1 248 30 30 ILE HD1 H 0.750 0.030 1 249 30 30 ILE HG12 H 1.629 0.030 2 250 30 30 ILE HG13 H 1.053 0.030 2 251 30 30 ILE HG2 H 0.844 0.030 1 252 30 30 ILE C C 179.070 0.300 1 253 30 30 ILE CA C 65.059 0.300 1 254 30 30 ILE CB C 38.426 0.300 1 255 30 30 ILE CD1 C 13.027 0.300 1 256 30 30 ILE CG1 C 29.156 0.300 1 257 30 30 ILE CG2 C 17.162 0.300 1 258 30 30 ILE N N 119.564 0.300 1 259 31 31 HIS H H 7.749 0.030 1 260 31 31 HIS HA H 4.167 0.030 1 261 31 31 HIS HB2 H 3.058 0.030 2 262 31 31 HIS HB3 H 2.650 0.030 2 263 31 31 HIS HD2 H 7.046 0.030 1 264 31 31 HIS HE1 H 7.953 0.030 1 265 31 31 HIS C C 178.149 0.300 1 266 31 31 HIS CA C 59.298 0.300 1 267 31 31 HIS CB C 28.126 0.300 1 268 31 31 HIS CD2 C 127.807 0.300 1 269 31 31 HIS CE1 C 139.342 0.300 1 270 31 31 HIS N N 119.938 0.300 1 271 32 32 MET H H 8.834 0.030 1 272 32 32 MET HA H 3.998 0.030 1 273 32 32 MET HB2 H 2.267 0.030 2 274 32 32 MET HB3 H 2.217 0.030 2 275 32 32 MET HE H 2.244 0.030 1 276 32 32 MET HG2 H 3.035 0.030 2 277 32 32 MET HG3 H 2.926 0.030 2 278 32 32 MET C C 178.677 0.300 1 279 32 32 MET CA C 58.339 0.300 1 280 32 32 MET CB C 30.691 0.300 1 281 32 32 MET CE C 16.019 0.300 1 282 32 32 MET CG C 31.921 0.300 1 283 32 32 MET N N 119.535 0.300 1 284 33 33 ARG H H 7.353 0.030 1 285 33 33 ARG HA H 4.152 0.030 1 286 33 33 ARG HB2 H 1.933 0.030 2 287 33 33 ARG HB3 H 1.842 0.030 2 288 33 33 ARG HD2 H 3.162 0.030 1 289 33 33 ARG HD3 H 3.162 0.030 1 290 33 33 ARG HG2 H 1.887 0.030 2 291 33 33 ARG HG3 H 1.649 0.030 2 292 33 33 ARG C C 178.595 0.300 1 293 33 33 ARG CA C 58.840 0.300 1 294 33 33 ARG CB C 29.865 0.300 1 295 33 33 ARG CD C 43.762 0.300 1 296 33 33 ARG CG C 27.774 0.300 1 297 33 33 ARG N N 118.560 0.300 1 298 34 34 THR H H 7.849 0.030 1 299 34 34 THR HA H 4.092 0.030 1 300 34 34 THR HB H 3.958 0.030 1 301 34 34 THR HG2 H 1.115 0.030 1 302 34 34 THR C C 175.437 0.300 1 303 34 34 THR CA C 63.939 0.300 1 304 34 34 THR CB C 69.256 0.300 1 305 34 34 THR CG2 C 20.855 0.300 1 306 34 34 THR N N 109.861 0.300 1 307 35 35 HIS H H 7.161 0.030 1 308 35 35 HIS HA H 4.867 0.030 1 309 35 35 HIS HB2 H 3.059 0.030 2 310 35 35 HIS HB3 H 3.335 0.030 2 311 35 35 HIS HD2 H 6.709 0.030 1 312 35 35 HIS HE1 H 7.959 0.030 1 313 35 35 HIS C C 175.263 0.300 1 314 35 35 HIS CA C 55.115 0.300 1 315 35 35 HIS CB C 28.806 0.300 1 316 35 35 HIS CD2 C 127.143 0.300 1 317 35 35 HIS CE1 C 139.836 0.300 1 318 35 35 HIS N N 118.505 0.300 1 319 36 36 SER H H 7.799 0.030 1 320 36 36 SER HA H 4.433 0.030 1 321 36 36 SER HB2 H 3.933 0.030 2 322 36 36 SER HB3 H 3.874 0.030 2 323 36 36 SER C C 175.089 0.300 1 324 36 36 SER CA C 58.832 0.300 1 325 36 36 SER CB C 63.950 0.300 1 326 36 36 SER N N 114.963 0.300 1 327 37 37 GLY H H 8.368 0.030 1 328 37 37 GLY HA2 H 3.960 0.030 1 329 37 37 GLY HA3 H 3.960 0.030 1 330 37 37 GLY C C 174.032 0.300 1 331 37 37 GLY CA C 45.315 0.300 1 332 37 37 GLY N N 111.027 0.300 1 333 38 38 GLU H H 8.108 0.030 1 334 38 38 GLU HA H 4.227 0.030 1 335 38 38 GLU HB2 H 1.964 0.030 2 336 38 38 GLU HB3 H 1.884 0.030 2 337 38 38 GLU HG2 H 2.229 0.030 2 338 38 38 GLU HG3 H 2.197 0.030 2 339 38 38 GLU C C 176.258 0.300 1 340 38 38 GLU CA C 56.400 0.300 1 341 38 38 GLU CB C 30.486 0.300 1 342 38 38 GLU CG C 36.229 0.300 1 343 38 38 GLU N N 120.555 0.300 1 344 39 39 LYS H H 8.412 0.030 1 345 39 39 LYS HA H 4.587 0.030 1 346 39 39 LYS HB2 H 1.787 0.030 2 347 39 39 LYS HB3 H 1.701 0.030 2 348 39 39 LYS HD2 H 1.659 0.030 1 349 39 39 LYS HD3 H 1.659 0.030 1 350 39 39 LYS HE2 H 2.943 0.030 1 351 39 39 LYS HE3 H 2.943 0.030 1 352 39 39 LYS HG2 H 1.463 0.030 1 353 39 39 LYS HG3 H 1.463 0.030 1 354 39 39 LYS C C 174.462 0.300 1 355 39 39 LYS CA C 54.050 0.300 1 356 39 39 LYS CB C 32.421 0.300 1 357 39 39 LYS CD C 29.222 0.300 1 358 39 39 LYS CE C 42.203 0.300 1 359 39 39 LYS N N 123.844 0.300 1 360 40 40 PRO HA H 4.429 0.030 1 361 40 40 PRO HB2 H 2.277 0.030 2 362 40 40 PRO HB3 H 1.909 0.030 2 363 40 40 PRO HD2 H 3.615 0.030 2 364 40 40 PRO HD3 H 3.791 0.030 2 365 40 40 PRO HG2 H 1.992 0.030 1 366 40 40 PRO HG3 H 1.992 0.030 1 367 40 40 PRO CA C 63.196 0.300 1 368 40 40 PRO CB C 32.135 0.300 1 369 40 40 PRO CD C 50.651 0.300 1 370 40 40 PRO CG C 27.369 0.300 1 371 41 41 SER H H 8.470 0.030 1 372 41 41 SER N N 116.554 0.300 1 373 42 42 GLY HA2 H 4.127 0.030 2 374 42 42 GLY HA3 H 4.076 0.030 2 375 42 42 GLY CA C 44.637 0.300 1 376 43 43 PRO HA H 4.437 0.030 1 377 43 43 PRO HB2 H 2.279 0.030 2 378 43 43 PRO HB3 H 1.910 0.030 2 379 43 43 PRO HD2 H 3.597 0.030 1 380 43 43 PRO HD3 H 3.597 0.030 1 381 43 43 PRO HG2 H 1.990 0.030 1 382 43 43 PRO HG3 H 1.990 0.030 1 383 43 43 PRO CA C 63.210 0.300 1 384 43 43 PRO CB C 32.130 0.300 1 385 43 43 PRO CD C 49.802 0.300 1 386 43 43 PRO CG C 27.176 0.300 1 387 44 44 SER H H 8.510 0.030 1 388 44 44 SER N N 116.443 0.300 1 stop_ save_