data_11166 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 581-609) of human Zinc finger protein 268 ; _BMRB_accession_number 11166 _BMRB_flat_file_name bmr11166.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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" 193 "13C chemical shifts" 143 "15N chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 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 581-609) 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 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 42 _Mol_residue_sequence ; GSSGSSGEKPYECTDCGKAF GLKSQLIIHQRTHTGESGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 LYS 10 PRO 11 TYR 12 GLU 13 CYS 14 THR 15 ASP 16 CYS 17 GLY 18 LYS 19 ALA 20 PHE 21 GLY 22 LEU 23 LYS 24 SER 25 GLN 26 LEU 27 ILE 28 ILE 29 HIS 30 GLN 31 ARG 32 THR 33 HIS 34 THR 35 GLY 36 GLU 37 SER 38 GLY 39 PRO 40 SER 41 SER 42 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 2EOL "Solution Structure Of The C2h2 Type Zinc Finger (Region 581- 609) Of Human Zinc Finger Protein 268" 100.00 42 100.00 100.00 3.31e-20 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 Tue Jun 9 16:52:42 2009 ; 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_name $entity_1 'cell free synthesis' . Escherichia coli . P061218-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.0mM sample U-15N, {13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 0.05mM {ZnCl2;} 1mM {IDA;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task '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_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ 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 HA2 H 3.937 0.030 1 2 7 7 GLY HA3 H 3.937 0.030 1 3 7 7 GLY C C 174.088 0.300 1 4 7 7 GLY CA C 45.354 0.300 1 5 8 8 GLU H H 8.226 0.030 1 6 8 8 GLU HA H 4.208 0.030 1 7 8 8 GLU HB2 H 2.008 0.030 2 8 8 8 GLU HB3 H 1.922 0.030 2 9 8 8 GLU HG2 H 2.268 0.030 2 10 8 8 GLU HG3 H 2.232 0.030 2 11 8 8 GLU C C 176.501 0.300 1 12 8 8 GLU CA C 56.948 0.300 1 13 8 8 GLU CB C 30.344 0.300 1 14 8 8 GLU CG C 36.343 0.300 1 15 8 8 GLU N N 119.987 0.300 1 16 9 9 LYS H H 8.260 0.030 1 17 9 9 LYS HA H 4.532 0.030 1 18 9 9 LYS HB2 H 1.579 0.030 2 19 9 9 LYS HB3 H 1.380 0.030 2 20 9 9 LYS HD2 H 1.535 0.030 2 21 9 9 LYS HD3 H 1.482 0.030 2 22 9 9 LYS HE2 H 2.918 0.030 1 23 9 9 LYS HE3 H 2.918 0.030 1 24 9 9 LYS HG2 H 1.309 0.030 2 25 9 9 LYS HG3 H 1.147 0.030 2 26 9 9 LYS C C 173.603 0.300 1 27 9 9 LYS CA C 53.604 0.300 1 28 9 9 LYS CB C 33.127 0.300 1 29 9 9 LYS CD C 29.455 0.300 1 30 9 9 LYS CE C 42.282 0.300 1 31 9 9 LYS CG C 24.695 0.300 1 32 9 9 LYS N N 121.386 0.300 1 33 10 10 PRO HA H 4.311 0.030 1 34 10 10 PRO HB2 H 1.261 0.030 2 35 10 10 PRO HB3 H 2.033 0.030 2 36 10 10 PRO HD2 H 3.660 0.030 2 37 10 10 PRO HD3 H 3.612 0.030 2 38 10 10 PRO HG2 H 1.788 0.030 2 39 10 10 PRO HG3 H 1.551 0.030 2 40 10 10 PRO C C 176.418 0.300 1 41 10 10 PRO CA C 63.407 0.300 1 42 10 10 PRO CB C 32.347 0.300 1 43 10 10 PRO CD C 50.198 0.300 1 44 10 10 PRO CG C 26.614 0.300 1 45 11 11 TYR H H 7.963 0.030 1 46 11 11 TYR HA H 4.640 0.030 1 47 11 11 TYR HB2 H 3.014 0.030 2 48 11 11 TYR HB3 H 2.885 0.030 2 49 11 11 TYR HD1 H 7.064 0.030 1 50 11 11 TYR HD2 H 7.064 0.030 1 51 11 11 TYR HE1 H 6.926 0.030 1 52 11 11 TYR HE2 H 6.926 0.030 1 53 11 11 TYR C C 174.570 0.300 1 54 11 11 TYR CA C 57.680 0.300 1 55 11 11 TYR CB C 38.293 0.300 1 56 11 11 TYR CD1 C 133.273 0.300 1 57 11 11 TYR CD2 C 133.273 0.300 1 58 11 11 TYR CE1 C 118.458 0.300 1 59 11 11 TYR CE2 C 118.458 0.300 1 60 11 11 TYR N N 118.556 0.300 1 61 12 12 GLU H H 8.540 0.030 1 62 12 12 GLU HA H 4.872 0.030 1 63 12 12 GLU HB2 H 1.851 0.030 1 64 12 12 GLU HB3 H 1.851 0.030 1 65 12 12 GLU HG2 H 2.025 0.030 2 66 12 12 GLU HG3 H 1.937 0.030 2 67 12 12 GLU C C 175.075 0.300 1 68 12 12 GLU CA C 55.103 0.300 1 69 12 12 GLU CB C 32.780 0.300 1 70 12 12 GLU CG C 36.523 0.300 1 71 12 12 GLU N N 124.506 0.300 1 72 13 13 CYS H H 9.279 0.030 1 73 13 13 CYS HA H 4.651 0.030 1 74 13 13 CYS HB2 H 2.899 0.030 2 75 13 13 CYS HB3 H 3.460 0.030 2 76 13 13 CYS C C 177.729 0.300 1 77 13 13 CYS CA C 59.461 0.300 1 78 13 13 CYS CB C 29.757 0.300 1 79 13 13 CYS N N 126.643 0.300 1 80 14 14 THR H H 9.010 0.030 1 81 14 14 THR HA H 4.188 0.030 1 82 14 14 THR HB H 4.369 0.030 1 83 14 14 THR HG2 H 1.350 0.030 1 84 14 14 THR C C 174.881 0.300 1 85 14 14 THR CA C 64.511 0.300 1 86 14 14 THR CB C 68.677 0.300 1 87 14 14 THR CG2 C 22.113 0.300 1 88 14 14 THR N N 124.597 0.300 1 89 15 15 ASP H H 8.641 0.030 1 90 15 15 ASP HA H 4.564 0.030 1 91 15 15 ASP HB2 H 1.898 0.030 2 92 15 15 ASP HB3 H 1.856 0.030 2 93 15 15 ASP C C 176.957 0.300 1 94 15 15 ASP CA C 57.057 0.300 1 95 15 15 ASP CB C 41.381 0.300 1 96 15 15 ASP N N 122.964 0.300 1 97 16 16 CYS H H 7.920 0.030 1 98 16 16 CYS HA H 5.141 0.030 1 99 16 16 CYS HB2 H 2.874 0.030 2 100 16 16 CYS HB3 H 3.412 0.030 2 101 16 16 CYS C C 176.103 0.300 1 102 16 16 CYS CA C 58.719 0.300 1 103 16 16 CYS CB C 32.390 0.300 1 104 16 16 CYS N N 114.819 0.300 1 105 17 17 GLY H H 8.242 0.030 1 106 17 17 GLY HA2 H 3.895 0.030 2 107 17 17 GLY HA3 H 4.240 0.030 2 108 17 17 GLY C C 173.892 0.300 1 109 17 17 GLY CA C 46.131 0.300 1 110 17 17 GLY N N 113.419 0.300 1 111 18 18 LYS H H 8.005 0.030 1 112 18 18 LYS HA H 3.954 0.030 1 113 18 18 LYS HB2 H 1.206 0.030 2 114 18 18 LYS HB3 H 1.387 0.030 2 115 18 18 LYS HD2 H 1.487 0.030 2 116 18 18 LYS HD3 H 1.450 0.030 2 117 18 18 LYS HE2 H 2.981 0.030 2 118 18 18 LYS HE3 H 2.922 0.030 2 119 18 18 LYS HG2 H 1.423 0.030 2 120 18 18 LYS HG3 H 1.100 0.030 2 121 18 18 LYS C C 173.604 0.300 1 122 18 18 LYS CA C 58.132 0.300 1 123 18 18 LYS CB C 33.763 0.300 1 124 18 18 LYS CD C 29.275 0.300 1 125 18 18 LYS CE C 42.227 0.300 1 126 18 18 LYS CG C 26.271 0.300 1 127 18 18 LYS N N 123.029 0.300 1 128 19 19 ALA H H 7.728 0.030 1 129 19 19 ALA HA H 5.160 0.030 1 130 19 19 ALA HB H 1.211 0.030 1 131 19 19 ALA C C 176.202 0.300 1 132 19 19 ALA CA C 50.347 0.300 1 133 19 19 ALA CB C 22.317 0.300 1 134 19 19 ALA N N 123.625 0.300 1 135 20 20 PHE H H 8.719 0.030 1 136 20 20 PHE HA H 4.673 0.030 1 137 20 20 PHE HB2 H 2.691 0.030 2 138 20 20 PHE HB3 H 3.500 0.030 2 139 20 20 PHE HD1 H 7.202 0.030 1 140 20 20 PHE HD2 H 7.202 0.030 1 141 20 20 PHE HE1 H 6.862 0.030 1 142 20 20 PHE HE2 H 6.862 0.030 1 143 20 20 PHE HZ H 6.264 0.030 1 144 20 20 PHE C C 175.520 0.300 1 145 20 20 PHE CA C 57.255 0.300 1 146 20 20 PHE CB C 43.817 0.300 1 147 20 20 PHE CD1 C 132.447 0.300 1 148 20 20 PHE CD2 C 132.447 0.300 1 149 20 20 PHE CE1 C 130.634 0.300 1 150 20 20 PHE CE2 C 130.634 0.300 1 151 20 20 PHE CZ C 128.730 0.300 1 152 20 20 PHE N N 116.888 0.300 1 153 21 21 GLY H H 9.132 0.030 1 154 21 21 GLY HA2 H 4.071 0.030 2 155 21 21 GLY HA3 H 4.386 0.030 2 156 21 21 GLY C C 173.406 0.300 1 157 21 21 GLY CA C 46.299 0.300 1 158 21 21 GLY N N 108.433 0.300 1 159 22 22 LEU H H 7.509 0.030 1 160 22 22 LEU HA H 4.908 0.030 1 161 22 22 LEU HB2 H 1.660 0.030 2 162 22 22 LEU HB3 H 1.508 0.030 2 163 22 22 LEU HD1 H 0.921 0.030 1 164 22 22 LEU HD2 H 1.017 0.030 1 165 22 22 LEU HG H 1.657 0.030 1 166 22 22 LEU C C 177.079 0.300 1 167 22 22 LEU CA C 53.036 0.300 1 168 22 22 LEU CB C 45.691 0.300 1 169 22 22 LEU CD1 C 25.399 0.300 2 170 22 22 LEU CD2 C 23.472 0.300 2 171 22 22 LEU CG C 26.964 0.300 1 172 22 22 LEU N N 117.097 0.300 1 173 23 23 LYS H H 8.454 0.030 1 174 23 23 LYS HA H 3.027 0.030 1 175 23 23 LYS HB2 H 1.489 0.030 2 176 23 23 LYS HB3 H 0.972 0.030 2 177 23 23 LYS HD2 H 1.538 0.030 2 178 23 23 LYS HD3 H 1.590 0.030 2 179 23 23 LYS HE2 H 2.878 0.030 2 180 23 23 LYS HE3 H 2.928 0.030 2 181 23 23 LYS HG2 H 1.225 0.030 2 182 23 23 LYS HG3 H 1.018 0.030 2 183 23 23 LYS C C 178.193 0.300 1 184 23 23 LYS CA C 59.293 0.300 1 185 23 23 LYS CB C 31.489 0.300 1 186 23 23 LYS CD C 29.201 0.300 1 187 23 23 LYS CE C 42.193 0.300 1 188 23 23 LYS CG C 24.900 0.300 1 189 23 23 LYS N N 127.147 0.300 1 190 24 24 SER H H 8.413 0.030 1 191 24 24 SER HA H 3.890 0.030 1 192 24 24 SER HB2 H 3.831 0.030 1 193 24 24 SER HB3 H 3.831 0.030 1 194 24 24 SER C C 176.946 0.300 1 195 24 24 SER CA C 60.751 0.300 1 196 24 24 SER CB C 61.337 0.300 1 197 24 24 SER N N 111.821 0.300 1 198 25 25 GLN H H 6.650 0.030 1 199 25 25 GLN HA H 3.912 0.030 1 200 25 25 GLN HB2 H 1.999 0.030 2 201 25 25 GLN HB3 H 2.482 0.030 2 202 25 25 GLN HE21 H 7.649 0.030 2 203 25 25 GLN HE22 H 7.021 0.030 2 204 25 25 GLN HG2 H 2.486 0.030 2 205 25 25 GLN HG3 H 2.410 0.030 2 206 25 25 GLN C C 178.501 0.300 1 207 25 25 GLN CA C 57.657 0.300 1 208 25 25 GLN CB C 28.568 0.300 1 209 25 25 GLN CG C 34.374 0.300 1 210 25 25 GLN N N 119.309 0.300 1 211 25 25 GLN NE2 N 111.756 0.300 1 212 26 26 LEU H H 7.071 0.030 1 213 26 26 LEU HA H 3.306 0.030 1 214 26 26 LEU HB2 H 1.308 0.030 2 215 26 26 LEU HB3 H 2.085 0.030 2 216 26 26 LEU HD1 H 1.063 0.030 1 217 26 26 LEU HD2 H 1.018 0.030 1 218 26 26 LEU HG H 1.544 0.030 1 219 26 26 LEU C C 177.390 0.300 1 220 26 26 LEU CA C 57.965 0.300 1 221 26 26 LEU CB C 40.328 0.300 1 222 26 26 LEU CD1 C 22.799 0.300 2 223 26 26 LEU CD2 C 26.496 0.300 2 224 26 26 LEU CG C 27.461 0.300 1 225 26 26 LEU N N 122.212 0.300 1 226 27 27 ILE H H 8.040 0.030 1 227 27 27 ILE HA H 3.752 0.030 1 228 27 27 ILE HB H 1.761 0.030 1 229 27 27 ILE HD1 H 0.763 0.030 1 230 27 27 ILE HG12 H 1.535 0.030 2 231 27 27 ILE HG13 H 1.199 0.030 2 232 27 27 ILE HG2 H 0.854 0.030 1 233 27 27 ILE C C 179.013 0.300 1 234 27 27 ILE CA C 64.747 0.300 1 235 27 27 ILE CB C 37.715 0.300 1 236 27 27 ILE CD1 C 12.728 0.300 1 237 27 27 ILE CG1 C 28.973 0.300 1 238 27 27 ILE CG2 C 17.058 0.300 1 239 27 27 ILE N N 119.289 0.300 1 240 28 28 ILE H H 7.223 0.030 1 241 28 28 ILE HA H 3.574 0.030 1 242 28 28 ILE HB H 1.677 0.030 1 243 28 28 ILE HD1 H 0.807 0.030 1 244 28 28 ILE HG12 H 1.640 0.030 2 245 28 28 ILE HG13 H 1.135 0.030 2 246 28 28 ILE HG2 H 0.886 0.030 1 247 28 28 ILE C C 178.909 0.300 1 248 28 28 ILE CA C 64.845 0.300 1 249 28 28 ILE CB C 38.348 0.300 1 250 28 28 ILE CD1 C 12.771 0.300 1 251 28 28 ILE CG1 C 29.323 0.300 1 252 28 28 ILE CG2 C 17.141 0.300 1 253 28 28 ILE N N 118.960 0.300 1 254 29 29 HIS H H 7.695 0.030 1 255 29 29 HIS HA H 4.233 0.030 1 256 29 29 HIS HB2 H 2.862 0.030 2 257 29 29 HIS HB3 H 3.098 0.030 2 258 29 29 HIS HD2 H 6.990 0.030 1 259 29 29 HIS HE1 H 8.024 0.030 1 260 29 29 HIS C C 178.089 0.300 1 261 29 29 HIS CA C 59.359 0.300 1 262 29 29 HIS CB C 28.494 0.300 1 263 29 29 HIS CD2 C 127.400 0.300 1 264 29 29 HIS CE1 C 139.705 0.300 1 265 29 29 HIS N N 119.673 0.300 1 266 30 30 GLN H H 9.042 0.030 1 267 30 30 GLN HA H 3.758 0.030 1 268 30 30 GLN HB2 H 2.201 0.030 2 269 30 30 GLN HB3 H 2.372 0.030 2 270 30 30 GLN HE21 H 7.712 0.030 2 271 30 30 GLN HE22 H 6.852 0.030 2 272 30 30 GLN HG2 H 2.870 0.030 2 273 30 30 GLN HG3 H 2.794 0.030 2 274 30 30 GLN C C 177.888 0.300 1 275 30 30 GLN CA C 59.919 0.300 1 276 30 30 GLN CB C 28.205 0.300 1 277 30 30 GLN CG C 35.625 0.300 1 278 30 30 GLN N N 120.485 0.300 1 279 30 30 GLN NE2 N 111.955 0.300 1 280 31 31 ARG H H 7.286 0.030 1 281 31 31 ARG HA H 4.219 0.030 1 282 31 31 ARG HB2 H 1.957 0.030 2 283 31 31 ARG HB3 H 1.857 0.030 2 284 31 31 ARG HD2 H 3.170 0.030 1 285 31 31 ARG HD3 H 3.170 0.030 1 286 31 31 ARG HG2 H 1.914 0.030 2 287 31 31 ARG HG3 H 1.679 0.030 2 288 31 31 ARG C C 178.349 0.300 1 289 31 31 ARG CA C 58.605 0.300 1 290 31 31 ARG CB C 29.948 0.300 1 291 31 31 ARG CD C 43.814 0.300 1 292 31 31 ARG CG C 27.787 0.300 1 293 31 31 ARG N N 117.557 0.300 1 294 32 32 THR H H 7.819 0.030 1 295 32 32 THR HA H 4.130 0.030 1 296 32 32 THR HB H 3.999 0.030 1 297 32 32 THR HG2 H 1.158 0.030 1 298 32 32 THR C C 175.612 0.300 1 299 32 32 THR CA C 64.010 0.300 1 300 32 32 THR CB C 69.380 0.300 1 301 32 32 THR CG2 C 20.936 0.300 1 302 32 32 THR N N 109.790 0.300 1 303 33 33 HIS H H 7.227 0.030 1 304 33 33 HIS HA H 4.861 0.030 1 305 33 33 HIS HB2 H 3.268 0.030 2 306 33 33 HIS HB3 H 3.226 0.030 2 307 33 33 HIS HD2 H 6.795 0.030 1 308 33 33 HIS HE1 H 7.985 0.030 1 309 33 33 HIS C C 175.717 0.300 1 310 33 33 HIS CA C 55.585 0.300 1 311 33 33 HIS CB C 28.797 0.300 1 312 33 33 HIS CD2 C 127.620 0.300 1 313 33 33 HIS CE1 C 139.750 0.300 1 314 33 33 HIS N N 118.451 0.300 1 315 34 34 THR H H 7.776 0.030 1 316 34 34 THR HA H 4.388 0.030 1 317 34 34 THR HB H 4.336 0.030 1 318 34 34 THR HG2 H 1.247 0.030 1 319 34 34 THR C C 175.417 0.300 1 320 34 34 THR CA C 62.322 0.300 1 321 34 34 THR CB C 69.952 0.300 1 322 34 34 THR CG2 C 21.573 0.300 1 323 34 34 THR N N 111.652 0.300 1 324 35 35 GLY H H 8.274 0.030 1 325 35 35 GLY HA2 H 4.054 0.030 2 326 35 35 GLY HA3 H 3.986 0.030 2 327 35 35 GLY C C 174.321 0.300 1 328 35 35 GLY CA C 45.455 0.300 1 329 35 35 GLY N N 110.794 0.300 1 330 36 36 GLU H H 8.195 0.030 1 331 36 36 GLU HA H 4.324 0.030 1 332 36 36 GLU HB2 H 2.075 0.030 2 333 36 36 GLU HB3 H 1.926 0.030 2 334 36 36 GLU HG2 H 2.267 0.030 1 335 36 36 GLU HG3 H 2.267 0.030 1 336 36 36 GLU C C 176.552 0.300 1 337 36 36 GLU CA C 56.667 0.300 1 338 36 36 GLU CB C 30.509 0.300 1 339 36 36 GLU CG C 36.295 0.300 1 340 36 36 GLU N N 120.697 0.300 1 341 37 37 SER H H 8.418 0.030 1 342 37 37 SER HA H 4.497 0.030 1 343 37 37 SER HB2 H 3.871 0.030 2 344 37 37 SER HB3 H 3.923 0.030 2 345 37 37 SER C C 174.568 0.300 1 346 37 37 SER CA C 58.428 0.300 1 347 37 37 SER CB C 63.977 0.300 1 348 37 37 SER N N 116.772 0.300 1 349 38 38 GLY H H 8.245 0.030 1 350 38 38 GLY HA2 H 4.168 0.030 2 351 38 38 GLY HA3 H 4.076 0.030 2 352 38 38 GLY C C 171.698 0.300 1 353 38 38 GLY CA C 44.620 0.300 1 354 38 38 GLY N N 110.587 0.300 1 355 39 39 PRO HA H 4.490 0.030 1 356 39 39 PRO HB2 H 1.980 0.030 2 357 39 39 PRO HB3 H 2.298 0.030 2 358 39 39 PRO HD2 H 3.627 0.030 1 359 39 39 PRO HD3 H 3.627 0.030 1 360 39 39 PRO HG2 H 2.021 0.030 1 361 39 39 PRO HG3 H 2.021 0.030 1 362 39 39 PRO C C 177.359 0.300 1 363 39 39 PRO CA C 63.211 0.300 1 364 39 39 PRO CB C 32.192 0.300 1 365 39 39 PRO CD C 49.835 0.300 1 366 39 39 PRO CG C 27.132 0.300 1 367 40 40 SER H H 8.524 0.030 1 368 40 40 SER C C 174.667 0.300 1 369 40 40 SER N N 116.532 0.300 1 stop_ save_