data_11383 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 20th C2H2 type zinc finger domain of Zinc finger protein 268 ; _BMRB_accession_number 11383 _BMRB_flat_file_name bmr11383.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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" 194 "13C chemical shifts" 144 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 20th C2H2 type zinc finger domain of 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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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 'zinc finger 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 'zinc finger domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSSGSSGSGEKPYECNECGK AFIWKSLLIVHERTHAGVSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 GLU 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ILE 24 TRP 25 LYS 26 SER 27 LEU 28 LEU 29 ILE 30 VAL 31 HIS 32 GLU 33 ARG 34 THR 35 HIS 36 ALA 37 GLY 38 VAL 39 SER 40 GLY 41 PRO 42 SER 43 SER 44 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 2EPV "Solution Structure Of The 20th C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 268" 100.00 44 100.00 100.00 1.35e-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 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P061218-20 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.82mM 13C-15N {PROTEIN;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O {;0.05mM} ZnCl2, 1mM IDA ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.82 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM '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 20060702 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 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, 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_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'zinc finger 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 8 8 SER HA H 4.465 0.030 1 2 8 8 SER HB2 H 3.862 0.030 2 3 8 8 SER CA C 58.411 0.300 1 4 8 8 SER CB C 63.814 0.300 1 5 9 9 GLY H H 8.441 0.030 1 6 9 9 GLY HA2 H 3.928 0.030 2 7 9 9 GLY C C 173.968 0.300 1 8 9 9 GLY CA C 45.317 0.300 1 9 9 9 GLY N N 110.815 0.300 1 10 10 10 GLU H H 8.182 0.030 1 11 10 10 GLU HA H 4.176 0.030 1 12 10 10 GLU HB2 H 1.967 0.030 2 13 10 10 GLU HB3 H 1.857 0.030 2 14 10 10 GLU HG2 H 2.230 0.030 2 15 10 10 GLU HG3 H 2.190 0.030 2 16 10 10 GLU C C 176.094 0.300 1 17 10 10 GLU CA C 56.763 0.300 1 18 10 10 GLU CB C 30.358 0.300 1 19 10 10 GLU CG C 36.261 0.300 1 20 10 10 GLU N N 120.354 0.300 1 21 11 11 LYS H H 8.148 0.030 1 22 11 11 LYS HA H 4.484 0.030 1 23 11 11 LYS HB2 H 1.565 0.030 2 24 11 11 LYS HB3 H 1.478 0.030 2 25 11 11 LYS HD2 H 1.512 0.030 2 26 11 11 LYS HE2 H 2.892 0.030 2 27 11 11 LYS HG2 H 1.301 0.030 2 28 11 11 LYS HG3 H 1.187 0.030 2 29 11 11 LYS C C 173.902 0.300 1 30 11 11 LYS CA C 53.776 0.300 1 31 11 11 LYS CB C 32.941 0.300 1 32 11 11 LYS CD C 29.284 0.300 1 33 11 11 LYS CE C 42.229 0.300 1 34 11 11 LYS CG C 24.663 0.300 1 35 11 11 LYS N N 121.744 0.300 1 36 12 12 PRO HA H 4.254 0.030 1 37 12 12 PRO HB2 H 1.982 0.030 2 38 12 12 PRO HB3 H 1.344 0.030 2 39 12 12 PRO HD2 H 3.648 0.030 2 40 12 12 PRO HD3 H 3.567 0.030 2 41 12 12 PRO HG2 H 1.782 0.030 2 42 12 12 PRO HG3 H 1.699 0.030 2 43 12 12 PRO C C 176.113 0.300 1 44 12 12 PRO CA C 63.294 0.300 1 45 12 12 PRO CB C 32.236 0.300 1 46 12 12 PRO CD C 50.318 0.300 1 47 12 12 PRO CG C 26.885 0.300 1 48 13 13 TYR H H 7.992 0.030 1 49 13 13 TYR HA H 4.586 0.030 1 50 13 13 TYR HB2 H 3.041 0.030 2 51 13 13 TYR HB3 H 2.869 0.030 2 52 13 13 TYR HD1 H 7.085 0.030 1 53 13 13 TYR HD2 H 7.085 0.030 1 54 13 13 TYR HE1 H 6.967 0.030 1 55 13 13 TYR HE2 H 6.967 0.030 1 56 13 13 TYR C C 174.681 0.300 1 57 13 13 TYR CA C 57.666 0.300 1 58 13 13 TYR CB C 38.679 0.300 1 59 13 13 TYR CD1 C 133.397 0.300 1 60 13 13 TYR CD2 C 133.397 0.300 1 61 13 13 TYR CE1 C 118.567 0.300 1 62 13 13 TYR CE2 C 118.567 0.300 1 63 13 13 TYR N N 118.648 0.300 1 64 14 14 GLU H H 8.555 0.030 1 65 14 14 GLU HA H 4.954 0.030 1 66 14 14 GLU HB2 H 1.793 0.030 1 67 14 14 GLU HB3 H 1.793 0.030 1 68 14 14 GLU HG2 H 2.002 0.030 2 69 14 14 GLU HG3 H 1.949 0.030 2 70 14 14 GLU C C 174.978 0.300 1 71 14 14 GLU CA C 54.832 0.300 1 72 14 14 GLU CB C 33.011 0.300 1 73 14 14 GLU CG C 36.566 0.300 1 74 14 14 GLU N N 123.675 0.300 1 75 15 15 CYS H H 9.153 0.030 1 76 15 15 CYS HA H 4.625 0.030 1 77 15 15 CYS HB2 H 3.381 0.030 2 78 15 15 CYS HB3 H 2.913 0.030 2 79 15 15 CYS CA C 59.458 0.300 1 80 15 15 CYS CB C 29.927 0.300 1 81 15 15 CYS N N 126.161 0.300 1 82 16 16 ASN H H 9.540 0.030 1 83 16 16 ASN HA H 4.533 0.030 1 84 16 16 ASN HB2 H 2.912 0.030 2 85 16 16 ASN HB3 H 2.857 0.030 2 86 16 16 ASN HD21 H 7.757 0.030 2 87 16 16 ASN HD22 H 6.954 0.030 2 88 16 16 ASN C C 175.251 0.300 1 89 16 16 ASN CA C 55.888 0.300 1 90 16 16 ASN CB C 39.067 0.300 1 91 16 16 ASN N N 130.867 0.300 1 92 16 16 ASN ND2 N 113.458 0.300 1 93 17 17 GLU H H 8.830 0.030 1 94 17 17 GLU HA H 4.249 0.030 1 95 17 17 GLU HB2 H 1.423 0.030 2 96 17 17 GLU HB3 H 1.344 0.030 2 97 17 17 GLU HG2 H 1.839 0.030 2 98 17 17 GLU HG3 H 1.731 0.030 2 99 17 17 GLU CA C 58.110 0.300 1 100 17 17 GLU CB C 29.830 0.300 1 101 17 17 GLU CG C 35.233 0.300 1 102 17 17 GLU N N 120.576 0.300 1 103 18 18 CYS H H 8.101 0.030 1 104 18 18 CYS HA H 5.165 0.030 1 105 18 18 CYS HB2 H 3.430 0.030 2 106 18 18 CYS HB3 H 2.809 0.030 2 107 18 18 CYS C C 177.227 0.300 1 108 18 18 CYS CA C 58.416 0.300 1 109 18 18 CYS CB C 32.659 0.300 1 110 18 18 CYS N N 115.298 0.300 1 111 19 19 GLY H H 8.087 0.030 1 112 19 19 GLY HA2 H 3.887 0.030 2 113 19 19 GLY HA3 H 4.194 0.030 2 114 19 19 GLY C C 173.585 0.300 1 115 19 19 GLY CA C 46.220 0.300 1 116 19 19 GLY N N 113.271 0.300 1 117 20 20 LYS H H 7.970 0.030 1 118 20 20 LYS HA H 3.904 0.030 1 119 20 20 LYS HB2 H 1.423 0.030 2 120 20 20 LYS HB3 H 1.172 0.030 2 121 20 20 LYS HD2 H 1.471 0.030 2 122 20 20 LYS HD3 H 1.395 0.030 2 123 20 20 LYS HE2 H 2.955 0.030 1 124 20 20 LYS HE3 H 2.955 0.030 1 125 20 20 LYS HG2 H 1.026 0.030 2 126 20 20 LYS HG3 H 1.355 0.030 2 127 20 20 LYS C C 173.741 0.300 1 128 20 20 LYS CA C 58.291 0.300 1 129 20 20 LYS CB C 33.622 0.300 1 130 20 20 LYS CD C 29.260 0.300 1 131 20 20 LYS CE C 42.192 0.300 1 132 20 20 LYS CG C 26.066 0.300 1 133 20 20 LYS N N 123.162 0.300 1 134 21 21 ALA H H 7.738 0.030 1 135 21 21 ALA HA H 5.177 0.030 1 136 21 21 ALA HB H 1.177 0.030 1 137 21 21 ALA C C 176.572 0.300 1 138 21 21 ALA CA C 50.387 0.300 1 139 21 21 ALA CB C 22.246 0.300 1 140 21 21 ALA N N 124.208 0.300 1 141 22 22 PHE H H 8.752 0.030 1 142 22 22 PHE HA H 4.705 0.030 1 143 22 22 PHE HB2 H 3.211 0.030 2 144 22 22 PHE HB3 H 2.686 0.030 2 145 22 22 PHE HD1 H 7.206 0.030 1 146 22 22 PHE HD2 H 7.206 0.030 1 147 22 22 PHE HE1 H 6.857 0.030 1 148 22 22 PHE HE2 H 6.857 0.030 1 149 22 22 PHE HZ H 6.296 0.030 1 150 22 22 PHE C C 175.826 0.300 1 151 22 22 PHE CA C 56.858 0.300 1 152 22 22 PHE CB C 44.539 0.300 1 153 22 22 PHE CD1 C 132.554 0.300 1 154 22 22 PHE CD2 C 132.554 0.300 1 155 22 22 PHE CE1 C 130.585 0.300 1 156 22 22 PHE CE2 C 130.585 0.300 1 157 22 22 PHE CZ C 128.683 0.300 1 158 22 22 PHE N N 116.981 0.300 1 159 23 23 ILE H H 8.844 0.030 1 160 23 23 ILE HA H 4.105 0.030 1 161 23 23 ILE HB H 1.486 0.030 1 162 23 23 ILE HD1 H 0.585 0.030 1 163 23 23 ILE HG12 H 1.044 0.030 2 164 23 23 ILE HG13 H 0.907 0.030 2 165 23 23 ILE HG2 H 0.342 0.030 1 166 23 23 ILE CA C 63.250 0.300 1 167 23 23 ILE CB C 38.761 0.300 1 168 23 23 ILE CD1 C 13.356 0.300 1 169 23 23 ILE CG1 C 27.357 0.300 1 170 23 23 ILE CG2 C 16.704 0.300 1 171 23 23 ILE N N 118.046 0.300 1 172 24 24 TRP H H 6.678 0.030 1 173 24 24 TRP HA H 5.389 0.030 1 174 24 24 TRP HB2 H 3.526 0.030 2 175 24 24 TRP HB3 H 2.939 0.030 2 176 24 24 TRP HD1 H 7.376 0.030 1 177 24 24 TRP HE1 H 10.309 0.030 1 178 24 24 TRP HE3 H 7.660 0.030 1 179 24 24 TRP HH2 H 7.276 0.030 1 180 24 24 TRP HZ2 H 7.531 0.030 1 181 24 24 TRP HZ3 H 7.219 0.030 1 182 24 24 TRP C C 176.541 0.300 1 183 24 24 TRP CA C 53.888 0.300 1 184 24 24 TRP CB C 33.038 0.300 1 185 24 24 TRP CD1 C 126.991 0.300 1 186 24 24 TRP CE3 C 120.824 0.300 1 187 24 24 TRP CH2 C 124.759 0.300 1 188 24 24 TRP CZ2 C 114.740 0.300 1 189 24 24 TRP CZ3 C 121.950 0.300 1 190 24 24 TRP N N 114.873 0.300 1 191 24 24 TRP NE1 N 129.511 0.300 1 192 25 25 LYS H H 8.666 0.030 1 193 25 25 LYS HA H 3.139 0.030 1 194 25 25 LYS HB2 H 1.534 0.030 2 195 25 25 LYS HB3 H 1.021 0.030 2 196 25 25 LYS HD2 H 1.590 0.030 2 197 25 25 LYS HD3 H 1.523 0.030 2 198 25 25 LYS HE2 H 2.889 0.030 1 199 25 25 LYS HE3 H 2.889 0.030 1 200 25 25 LYS HG2 H 1.256 0.030 2 201 25 25 LYS HG3 H 1.021 0.030 2 202 25 25 LYS CA C 59.194 0.300 1 203 25 25 LYS CB C 31.677 0.300 1 204 25 25 LYS CD C 29.163 0.300 1 205 25 25 LYS CE C 42.072 0.300 1 206 25 25 LYS CG C 24.968 0.300 1 207 25 25 LYS N N 127.574 0.300 1 208 26 26 SER H H 8.536 0.030 1 209 26 26 SER HA H 3.923 0.030 1 210 26 26 SER HB2 H 3.856 0.030 2 211 26 26 SER HB3 H 3.813 0.030 2 212 26 26 SER C C 176.813 0.300 1 213 26 26 SER CA C 60.958 0.300 1 214 26 26 SER CB C 61.319 0.300 1 215 26 26 SER N N 112.270 0.300 1 216 27 27 LEU H H 6.803 0.030 1 217 27 27 LEU HA H 4.102 0.030 1 218 27 27 LEU HB2 H 2.048 0.030 2 219 27 27 LEU HB3 H 1.568 0.030 2 220 27 27 LEU HD1 H 1.215 0.030 1 221 27 27 LEU HD2 H 0.998 0.030 1 222 27 27 LEU HG H 1.919 0.030 1 223 27 27 LEU C C 179.174 0.300 1 224 27 27 LEU CA C 56.568 0.300 1 225 27 27 LEU CB C 42.067 0.300 1 226 27 27 LEU CD1 C 26.607 0.300 2 227 27 27 LEU CD2 C 22.218 0.300 2 228 27 27 LEU CG C 27.357 0.300 1 229 27 27 LEU N N 120.209 0.300 1 230 28 28 LEU H H 7.022 0.030 1 231 28 28 LEU HA H 3.244 0.030 1 232 28 28 LEU HB2 H 2.067 0.030 2 233 28 28 LEU HB3 H 1.243 0.030 2 234 28 28 LEU HD1 H 0.976 0.030 1 235 28 28 LEU HD2 H 1.031 0.030 1 236 28 28 LEU HG H 1.578 0.030 1 237 28 28 LEU C C 177.447 0.300 1 238 28 28 LEU CA C 57.805 0.300 1 239 28 28 LEU CB C 40.345 0.300 1 240 28 28 LEU CD1 C 26.764 0.300 2 241 28 28 LEU CD2 C 22.843 0.300 2 242 28 28 LEU CG C 27.371 0.300 1 243 28 28 LEU N N 122.646 0.300 1 244 29 29 ILE H H 8.031 0.030 1 245 29 29 ILE HA H 3.752 0.030 1 246 29 29 ILE HB H 1.790 0.030 1 247 29 29 ILE HD1 H 0.765 0.030 1 248 29 29 ILE HG12 H 1.537 0.030 2 249 29 29 ILE HG13 H 1.193 0.030 2 250 29 29 ILE HG2 H 0.865 0.030 1 251 29 29 ILE C C 178.937 0.300 1 252 29 29 ILE CA C 64.819 0.300 1 253 29 29 ILE CB C 37.775 0.300 1 254 29 29 ILE CD1 C 13.036 0.300 1 255 29 29 ILE CG1 C 28.802 0.300 1 256 29 29 ILE CG2 C 17.051 0.300 1 257 29 29 ILE N N 118.866 0.300 1 258 30 30 VAL H H 7.017 0.030 1 259 30 30 VAL HA H 3.551 0.030 1 260 30 30 VAL HB H 1.932 0.030 1 261 30 30 VAL HG1 H 1.063 0.030 1 262 30 30 VAL HG2 H 0.933 0.030 1 263 30 30 VAL C C 178.717 0.300 1 264 30 30 VAL CA C 66.444 0.300 1 265 30 30 VAL CB C 32.136 0.300 1 266 30 30 VAL CG1 C 22.412 0.300 2 267 30 30 VAL CG2 C 21.273 0.300 2 268 30 30 VAL N N 117.766 0.300 1 269 31 31 HIS H H 7.573 0.030 1 270 31 31 HIS HA H 4.229 0.030 1 271 31 31 HIS HB2 H 2.909 0.030 2 272 31 31 HIS HB3 H 3.136 0.030 2 273 31 31 HIS HD2 H 7.007 0.030 1 274 31 31 HIS HE1 H 7.973 0.030 1 275 31 31 HIS C C 178.317 0.300 1 276 31 31 HIS CA C 59.527 0.300 1 277 31 31 HIS CB C 28.552 0.300 1 278 31 31 HIS CD2 C 127.537 0.300 1 279 31 31 HIS CE1 C 139.520 0.300 1 280 31 31 HIS N N 119.721 0.300 1 281 32 32 GLU H H 9.177 0.030 1 282 32 32 GLU HA H 3.752 0.030 1 283 32 32 GLU HB2 H 2.282 0.030 2 284 32 32 GLU HB3 H 2.126 0.030 2 285 32 32 GLU HG2 H 2.752 0.030 2 286 32 32 GLU HG3 H 2.633 0.030 2 287 32 32 GLU C C 178.837 0.300 1 288 32 32 GLU CA C 60.543 0.300 1 289 32 32 GLU CB C 29.760 0.300 1 290 32 32 GLU CG C 37.872 0.300 1 291 32 32 GLU N N 121.502 0.300 1 292 33 33 ARG H H 7.248 0.030 1 293 33 33 ARG HA H 4.139 0.030 1 294 33 33 ARG HB2 H 1.970 0.030 2 295 33 33 ARG HB3 H 1.889 0.030 2 296 33 33 ARG HD2 H 3.197 0.030 1 297 33 33 ARG HD3 H 3.197 0.030 1 298 33 33 ARG HG2 H 1.728 0.030 2 299 33 33 ARG HG3 H 1.909 0.030 2 300 33 33 ARG CA C 58.513 0.300 1 301 33 33 ARG CB C 29.996 0.300 1 302 33 33 ARG CD C 43.734 0.300 1 303 33 33 ARG CG C 27.593 0.300 1 304 33 33 ARG N N 117.046 0.300 1 305 34 34 THR H H 7.821 0.030 1 306 34 34 THR HA H 4.114 0.030 1 307 34 34 THR HB H 4.018 0.030 1 308 34 34 THR HG2 H 1.181 0.030 1 309 34 34 THR C C 175.695 0.300 1 310 34 34 THR CA C 64.027 0.300 1 311 34 34 THR CB C 69.347 0.300 1 312 34 34 THR CG2 C 21.037 0.300 1 313 34 34 THR N N 109.934 0.300 1 314 35 35 HIS H H 7.082 0.030 1 315 35 35 HIS HA H 4.749 0.030 1 316 35 35 HIS HB2 H 3.310 0.030 2 317 35 35 HIS HB3 H 3.138 0.030 2 318 35 35 HIS HD2 H 6.690 0.030 1 319 35 35 HIS HE1 H 8.004 0.030 1 320 35 35 HIS C C 174.781 0.300 1 321 35 35 HIS CA C 55.263 0.300 1 322 35 35 HIS CB C 28.691 0.300 1 323 35 35 HIS CD2 C 127.339 0.300 1 324 35 35 HIS CE1 C 139.859 0.300 1 325 35 35 HIS N N 118.517 0.300 1 326 36 36 ALA H H 7.656 0.030 1 327 36 36 ALA HA H 4.357 0.030 1 328 36 36 ALA HB H 1.452 0.030 1 329 36 36 ALA CA C 52.901 0.300 1 330 36 36 ALA CB C 19.383 0.300 1 331 36 36 ALA N N 122.991 0.300 1 332 37 37 GLY H H 8.255 0.030 1 333 37 37 GLY HA2 H 3.972 0.030 2 334 37 37 GLY C C 174.191 0.300 1 335 37 37 GLY CA C 45.401 0.300 1 336 37 37 GLY N N 107.927 0.300 1 337 38 38 VAL H H 7.953 0.030 1 338 38 38 VAL HA H 4.197 0.030 1 339 38 38 VAL HB H 2.116 0.030 1 340 38 38 VAL HG1 H 0.918 0.030 1 341 38 38 VAL C C 176.319 0.300 1 342 38 38 VAL CA C 62.249 0.300 1 343 38 38 VAL CB C 32.858 0.300 1 344 38 38 VAL CG1 C 20.329 0.300 2 345 38 38 VAL N N 118.844 0.300 1 346 39 39 SER H H 8.415 0.030 1 347 39 39 SER HA H 4.502 0.030 1 348 39 39 SER HB2 H 3.850 0.030 2 349 39 39 SER CA C 58.206 0.300 1 350 39 39 SER CB C 64.022 0.300 1 351 39 39 SER N N 119.340 0.300 1 352 40 40 GLY H H 8.214 0.030 1 353 40 40 GLY HA2 H 4.160 0.030 2 354 40 40 GLY HA3 H 4.077 0.030 2 355 40 40 GLY CA C 44.692 0.300 1 356 40 40 GLY N N 110.738 0.300 1 357 41 41 PRO HA H 4.474 0.030 1 358 41 41 PRO HB2 H 2.287 0.030 1 359 41 41 PRO HB3 H 2.287 0.030 1 360 41 41 PRO HD2 H 3.618 0.030 1 361 41 41 PRO HD3 H 3.618 0.030 1 362 41 41 PRO HG2 H 2.010 0.030 1 363 41 41 PRO HG3 H 2.010 0.030 1 364 41 41 PRO CA C 63.294 0.300 1 365 41 41 PRO CB C 32.274 0.300 1 366 41 41 PRO CD C 49.804 0.300 1 367 41 41 PRO CG C 27.121 0.300 1 368 42 42 SER H H 8.515 0.030 1 369 42 42 SER C C 174.584 0.300 1 370 42 42 SER CA C 58.384 0.300 1 371 42 42 SER CB C 64.007 0.300 1 372 42 42 SER N N 116.429 0.300 1 stop_ save_