data_11387 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 16th C2H2 type zinc finger domain of Zinc finger protein 347 ; _BMRB_accession_number 11387 _BMRB_flat_file_name bmr11387.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" 185 "13C chemical shifts" 105 "15N chemical shifts" 28 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 16th C2H2 type zinc finger domain of Zinc finger protein 347 ; _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 347' _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 46 _Mol_residue_sequence ; GSSGSSGTGGKPYQCNECGK AFSQTSKLARHQRVHTGEKP 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 GLY 11 LYS 12 PRO 13 TYR 14 GLN 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 SER 24 GLN 25 THR 26 SER 27 LYS 28 LEU 29 ALA 30 ARG 31 HIS 32 GLN 33 ARG 34 VAL 35 HIS 36 THR 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 2EQ2 "Solution Structure Of The 16th C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 347" 100.00 46 100.00 100.00 1.18e-22 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 P070115-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 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 . mM . 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_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_ _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 '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 THR HA H 4.378 0.030 1 2 8 8 THR HB H 4.293 0.030 1 3 8 8 THR HG2 H 1.190 0.030 1 4 8 8 THR CA C 61.886 0.300 1 5 8 8 THR CB C 69.824 0.300 1 6 8 8 THR CG2 C 21.520 0.300 1 7 11 11 LYS HA H 4.475 0.030 1 8 11 11 LYS HB2 H 1.547 0.030 2 9 11 11 LYS HB3 H 1.401 0.030 2 10 11 11 LYS HD2 H 1.524 0.030 2 11 11 11 LYS HD3 H 1.449 0.030 2 12 11 11 LYS HE2 H 2.945 0.030 1 13 11 11 LYS HE3 H 2.945 0.030 1 14 11 11 LYS HG2 H 1.167 0.030 2 15 11 11 LYS HG3 H 1.321 0.030 2 16 11 11 LYS CA C 53.839 0.300 1 17 11 11 LYS CB C 33.228 0.300 1 18 11 11 LYS CD C 29.427 0.300 1 19 11 11 LYS CE C 42.303 0.300 1 20 11 11 LYS CG C 24.900 0.300 1 21 12 12 PRO HA H 4.243 0.030 1 22 12 12 PRO HB2 H 1.982 0.030 2 23 12 12 PRO HB3 H 1.164 0.030 2 24 12 12 PRO HD2 H 3.583 0.030 2 25 12 12 PRO HD3 H 3.501 0.030 2 26 12 12 PRO HG2 H 1.737 0.030 2 27 12 12 PRO HG3 H 1.356 0.030 2 28 12 12 PRO C C 176.366 0.300 1 29 12 12 PRO CA C 63.598 0.300 1 30 12 12 PRO CB C 32.252 0.300 1 31 12 12 PRO CD C 50.339 0.300 1 32 12 12 PRO CG C 26.462 0.300 1 33 13 13 TYR H H 7.786 0.030 1 34 13 13 TYR HA H 4.785 0.030 1 35 13 13 TYR HB2 H 2.785 0.030 2 36 13 13 TYR HB3 H 3.028 0.030 2 37 13 13 TYR HD1 H 6.962 0.030 1 38 13 13 TYR HD2 H 6.962 0.030 1 39 13 13 TYR HE1 H 6.844 0.030 1 40 13 13 TYR HE2 H 6.844 0.030 1 41 13 13 TYR CA C 56.662 0.300 1 42 13 13 TYR CB C 38.255 0.300 1 43 13 13 TYR CD1 C 132.930 0.300 1 44 13 13 TYR CD2 C 132.930 0.300 1 45 13 13 TYR CE1 C 118.512 0.300 1 46 13 13 TYR CE2 C 118.512 0.300 1 47 13 13 TYR N N 118.248 0.300 1 48 14 14 GLN H H 8.663 0.030 1 49 14 14 GLN HA H 5.010 0.030 1 50 14 14 GLN HB2 H 1.939 0.030 2 51 14 14 GLN HB3 H 1.839 0.030 2 52 14 14 GLN HE21 H 7.541 0.030 2 53 14 14 GLN HE22 H 6.760 0.030 2 54 14 14 GLN HG2 H 2.089 0.030 1 55 14 14 GLN HG3 H 2.089 0.030 1 56 14 14 GLN CA C 54.580 0.300 1 57 14 14 GLN CB C 31.978 0.300 1 58 14 14 GLN CG C 34.054 0.300 1 59 14 14 GLN N N 123.740 0.300 1 60 14 14 GLN NE2 N 111.555 0.300 1 61 15 15 CYS H H 9.246 0.030 1 62 15 15 CYS HA H 4.524 0.030 1 63 15 15 CYS HB2 H 3.439 0.030 2 64 15 15 CYS HB3 H 2.901 0.030 2 65 15 15 CYS CA C 59.631 0.300 1 66 15 15 CYS CB C 29.708 0.300 1 67 15 15 CYS N N 126.562 0.300 1 68 16 16 ASN H H 9.411 0.030 1 69 16 16 ASN HA H 4.574 0.030 1 70 16 16 ASN HB2 H 2.907 0.030 1 71 16 16 ASN HB3 H 2.907 0.030 1 72 16 16 ASN HD21 H 7.679 0.030 2 73 16 16 ASN HD22 H 6.982 0.030 2 74 16 16 ASN CA C 55.603 0.300 1 75 16 16 ASN CB C 38.436 0.300 1 76 16 16 ASN N N 130.233 0.300 1 77 16 16 ASN ND2 N 113.035 0.300 1 78 17 17 GLU H H 8.768 0.030 1 79 17 17 GLU HA H 4.258 0.030 1 80 17 17 GLU HB2 H 1.336 0.030 1 81 17 17 GLU HB3 H 1.336 0.030 1 82 17 17 GLU HG2 H 1.905 0.030 2 83 17 17 GLU HG3 H 1.814 0.030 2 84 17 17 GLU CA C 58.339 0.300 1 85 17 17 GLU CB C 29.592 0.300 1 86 17 17 GLU CG C 35.714 0.300 1 87 17 17 GLU N N 120.843 0.300 1 88 18 18 CYS H H 7.905 0.030 1 89 18 18 CYS HA H 5.176 0.030 1 90 18 18 CYS HB2 H 3.454 0.030 2 91 18 18 CYS HB3 H 2.888 0.030 2 92 18 18 CYS CA C 58.353 0.300 1 93 18 18 CYS CB C 32.558 0.300 1 94 18 18 CYS N N 114.656 0.300 1 95 19 19 GLY H H 8.138 0.030 1 96 19 19 GLY HA2 H 4.265 0.030 2 97 19 19 GLY HA3 H 3.856 0.030 2 98 19 19 GLY CA C 46.195 0.300 1 99 19 19 GLY N N 113.029 0.300 1 100 20 20 LYS H H 8.059 0.030 1 101 20 20 LYS HA H 3.959 0.030 1 102 20 20 LYS HB2 H 1.456 0.030 2 103 20 20 LYS HB3 H 1.239 0.030 2 104 20 20 LYS HD2 H 1.513 0.030 2 105 20 20 LYS HD3 H 1.444 0.030 2 106 20 20 LYS HE2 H 2.993 0.030 2 107 20 20 LYS HE3 H 2.934 0.030 2 108 20 20 LYS HG2 H 1.087 0.030 2 109 20 20 LYS HG3 H 1.429 0.030 2 110 20 20 LYS CA C 58.359 0.300 1 111 20 20 LYS CB C 33.714 0.300 1 112 20 20 LYS CD C 29.367 0.300 1 113 20 20 LYS CE C 42.283 0.300 1 114 20 20 LYS CG C 26.200 0.300 1 115 20 20 LYS N N 123.656 0.300 1 116 21 21 ALA H H 7.877 0.030 1 117 21 21 ALA HA H 5.114 0.030 1 118 21 21 ALA HB H 1.238 0.030 1 119 21 21 ALA CA C 50.625 0.300 1 120 21 21 ALA CB C 22.201 0.300 1 121 21 21 ALA N N 124.438 0.300 1 122 22 22 PHE H H 8.715 0.030 1 123 22 22 PHE HA H 4.785 0.030 1 124 22 22 PHE HB2 H 2.724 0.030 2 125 22 22 PHE HB3 H 3.336 0.030 2 126 22 22 PHE HD1 H 7.262 0.030 1 127 22 22 PHE HD2 H 7.262 0.030 1 128 22 22 PHE HE1 H 6.891 0.030 1 129 22 22 PHE HE2 H 6.891 0.030 1 130 22 22 PHE HZ H 6.358 0.030 1 131 22 22 PHE CA C 56.943 0.300 1 132 22 22 PHE CB C 44.599 0.300 1 133 22 22 PHE CD1 C 132.464 0.300 1 134 22 22 PHE CD2 C 132.464 0.300 1 135 22 22 PHE CE1 C 130.760 0.300 1 136 22 22 PHE CE2 C 130.760 0.300 1 137 22 22 PHE CZ C 129.043 0.300 1 138 22 22 PHE N N 116.276 0.300 1 139 24 24 GLN HA H 4.380 0.030 1 140 24 24 GLN HB2 H 2.126 0.030 2 141 24 24 GLN HB3 H 1.971 0.030 2 142 24 24 GLN HE21 H 6.979 0.030 2 143 24 24 GLN HE22 H 7.578 0.030 2 144 24 24 GLN HG2 H 2.351 0.030 1 145 24 24 GLN HG3 H 2.351 0.030 1 146 24 24 GLN CA C 55.765 0.300 1 147 24 24 GLN CB C 29.630 0.300 1 148 24 24 GLN CG C 33.779 0.300 1 149 24 24 GLN NE2 N 112.092 0.300 1 150 25 25 THR H H 8.391 0.030 1 151 25 25 THR HA H 3.374 0.030 1 152 25 25 THR HB H 3.899 0.030 1 153 25 25 THR HG2 H 0.739 0.030 1 154 25 25 THR CA C 65.515 0.300 1 155 25 25 THR CB C 67.791 0.300 1 156 25 25 THR CG2 C 21.533 0.300 1 157 25 25 THR N N 121.299 0.300 1 158 26 26 SER HA H 4.159 0.030 1 159 26 26 SER HB2 H 3.924 0.030 2 160 26 26 SER HB3 H 3.859 0.030 2 161 26 26 SER CA C 60.823 0.300 1 162 26 26 SER CB C 61.521 0.300 1 163 27 27 LYS H H 6.682 0.030 1 164 27 27 LYS HA H 4.033 0.030 1 165 27 27 LYS HB2 H 1.995 0.030 1 166 27 27 LYS HB3 H 1.995 0.030 1 167 27 27 LYS HD2 H 1.928 0.030 2 168 27 27 LYS HD3 H 1.851 0.030 2 169 27 27 LYS HE2 H 3.087 0.030 1 170 27 27 LYS HE3 H 3.087 0.030 1 171 27 27 LYS HG2 H 1.640 0.030 2 172 27 27 LYS HG3 H 1.516 0.030 2 173 27 27 LYS CA C 58.488 0.300 1 174 27 27 LYS CB C 32.789 0.300 1 175 27 27 LYS CD C 29.311 0.300 1 176 27 27 LYS CE C 42.367 0.300 1 177 27 27 LYS CG C 26.145 0.300 1 178 27 27 LYS N N 121.902 0.300 1 179 28 28 LEU H H 7.035 0.030 1 180 28 28 LEU HA H 3.167 0.030 1 181 28 28 LEU HB2 H 1.197 0.030 2 182 28 28 LEU HB3 H 1.862 0.030 2 183 28 28 LEU HD1 H 0.917 0.030 1 184 28 28 LEU HD2 H 0.985 0.030 1 185 28 28 LEU HG H 1.493 0.030 1 186 28 28 LEU CA C 57.797 0.300 1 187 28 28 LEU CB C 40.520 0.300 1 188 28 28 LEU CD1 C 26.395 0.300 2 189 28 28 LEU CD2 C 22.839 0.300 2 190 28 28 LEU CG C 27.351 0.300 1 191 28 28 LEU N N 122.062 0.300 1 192 29 29 ALA H H 8.139 0.030 1 193 29 29 ALA HA H 4.165 0.030 1 194 29 29 ALA HB H 1.407 0.030 1 195 29 29 ALA CA C 55.067 0.300 1 196 29 29 ALA CB C 17.742 0.300 1 197 29 29 ALA N N 120.882 0.300 1 198 30 30 ARG H H 7.439 0.030 1 199 30 30 ARG HA H 3.981 0.030 1 200 30 30 ARG HB2 H 1.850 0.030 1 201 30 30 ARG HB3 H 1.850 0.030 1 202 30 30 ARG HD2 H 3.209 0.030 1 203 30 30 ARG HD3 H 3.209 0.030 1 204 30 30 ARG HG2 H 1.655 0.030 2 205 30 30 ARG HG3 H 1.754 0.030 2 206 30 30 ARG CA C 58.946 0.300 1 207 30 30 ARG CB C 30.089 0.300 1 208 30 30 ARG CD C 43.414 0.300 1 209 30 30 ARG CG C 27.462 0.300 1 210 30 30 ARG N N 116.859 0.300 1 211 31 31 HIS H H 7.589 0.030 1 212 31 31 HIS HA H 4.259 0.030 1 213 31 31 HIS HB2 H 2.950 0.030 2 214 31 31 HIS HB3 H 3.162 0.030 2 215 31 31 HIS HD2 H 6.945 0.030 1 216 31 31 HIS HE1 H 8.038 0.030 1 217 31 31 HIS CA C 58.928 0.300 1 218 31 31 HIS CB C 28.544 0.300 1 219 31 31 HIS CD2 C 127.263 0.300 1 220 31 31 HIS CE1 C 139.839 0.300 1 221 31 31 HIS N N 119.163 0.300 1 222 32 32 GLN H H 8.231 0.030 1 223 32 32 GLN HA H 3.695 0.030 1 224 32 32 GLN HB2 H 2.247 0.030 1 225 32 32 GLN HB3 H 2.247 0.030 1 226 32 32 GLN HE21 H 7.065 0.030 2 227 32 32 GLN HE22 H 7.531 0.030 2 228 32 32 GLN HG2 H 2.797 0.030 1 229 32 32 GLN HG3 H 2.797 0.030 1 230 32 32 GLN CA C 59.374 0.300 1 231 32 32 GLN CB C 28.288 0.300 1 232 32 32 GLN CG C 35.283 0.300 1 233 32 32 GLN N N 115.398 0.300 1 234 32 32 GLN NE2 N 112.567 0.300 1 235 33 33 ARG H H 7.125 0.030 1 236 33 33 ARG HA H 4.159 0.030 1 237 33 33 ARG HB2 H 1.897 0.030 2 238 33 33 ARG HB3 H 1.818 0.030 2 239 33 33 ARG HD2 H 3.206 0.030 1 240 33 33 ARG HD3 H 3.206 0.030 1 241 33 33 ARG HG2 H 1.705 0.030 2 242 33 33 ARG HG3 H 1.809 0.030 2 243 33 33 ARG CA C 58.290 0.300 1 244 33 33 ARG CB C 29.964 0.300 1 245 33 33 ARG CD C 43.436 0.300 1 246 33 33 ARG CG C 27.343 0.300 1 247 33 33 ARG N N 117.093 0.300 1 248 34 34 VAL H H 7.894 0.030 1 249 34 34 VAL HA H 3.922 0.030 1 250 34 34 VAL HB H 1.918 0.030 1 251 34 34 VAL HG1 H 0.658 0.030 1 252 34 34 VAL HG2 H 0.530 0.030 1 253 34 34 VAL CA C 64.035 0.300 1 254 34 34 VAL CB C 31.158 0.300 1 255 34 34 VAL CG1 C 19.964 0.300 2 256 34 34 VAL CG2 C 19.781 0.300 2 257 34 34 VAL N N 116.359 0.300 1 258 35 35 HIS H H 7.220 0.030 1 259 35 35 HIS HA H 4.869 0.030 1 260 35 35 HIS HB2 H 3.373 0.030 2 261 35 35 HIS HB3 H 3.219 0.030 2 262 35 35 HIS HD2 H 6.740 0.030 1 263 35 35 HIS HE1 H 8.049 0.030 1 264 35 35 HIS CA C 55.320 0.300 1 265 35 35 HIS CB C 28.661 0.300 1 266 35 35 HIS CD2 C 127.635 0.300 1 267 35 35 HIS CE1 C 139.980 0.300 1 268 35 35 HIS N N 117.068 0.300 1 269 36 36 THR H H 7.782 0.030 1 270 36 36 THR HA H 4.375 0.030 1 271 36 36 THR HB H 4.338 0.030 1 272 36 36 THR HG2 H 1.253 0.030 1 273 36 36 THR CA C 62.547 0.300 1 274 36 36 THR CB C 69.881 0.300 1 275 36 36 THR CG2 C 21.586 0.300 1 276 36 36 THR N N 111.630 0.300 1 277 37 37 GLY H H 8.233 0.030 1 278 37 37 GLY HA2 H 4.048 0.030 2 279 37 37 GLY HA3 H 3.966 0.030 2 280 37 37 GLY CA C 45.408 0.300 1 281 37 37 GLY N N 110.548 0.300 1 282 38 38 GLU H H 8.096 0.030 1 283 38 38 GLU HA H 4.264 0.030 1 284 38 38 GLU HB2 H 1.923 0.030 2 285 38 38 GLU HB3 H 2.008 0.030 2 286 38 38 GLU HG2 H 2.227 0.030 2 287 38 38 GLU HG3 H 2.301 0.030 2 288 38 38 GLU CA C 56.491 0.300 1 289 38 38 GLU CB C 30.550 0.300 1 290 38 38 GLU CG C 36.236 0.300 1 291 38 38 GLU N N 120.562 0.300 1 292 39 39 LYS H H 8.402 0.030 1 293 39 39 LYS HA H 4.621 0.030 1 294 39 39 LYS HB2 H 1.832 0.030 2 295 39 39 LYS HB3 H 1.743 0.030 2 296 39 39 LYS HD2 H 1.699 0.030 1 297 39 39 LYS HD3 H 1.699 0.030 1 298 39 39 LYS HE2 H 3.020 0.030 1 299 39 39 LYS HE3 H 3.020 0.030 1 300 39 39 LYS HG2 H 1.484 0.030 1 301 39 39 LYS HG3 H 1.484 0.030 1 302 39 39 LYS CA C 54.089 0.300 1 303 39 39 LYS CB C 32.520 0.300 1 304 39 39 LYS CD C 29.200 0.300 1 305 39 39 LYS CE C 42.202 0.300 1 306 39 39 LYS CG C 24.478 0.300 1 307 39 39 LYS N N 123.781 0.300 1 308 40 40 PRO HA H 4.479 0.030 1 309 40 40 PRO HB2 H 2.316 0.030 2 310 40 40 PRO HB3 H 1.969 0.030 2 311 40 40 PRO HD2 H 3.831 0.030 2 312 40 40 PRO HD3 H 3.659 0.030 2 313 40 40 PRO HG2 H 2.032 0.030 1 314 40 40 PRO HG3 H 2.032 0.030 1 315 40 40 PRO CA C 63.325 0.300 1 316 40 40 PRO CB C 32.198 0.300 1 317 40 40 PRO CD C 50.703 0.300 1 318 40 40 PRO CG C 27.214 0.300 1 stop_ save_