data_11386 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 9th C2H2 type zinc finger domain of Zinc finger protein 347 ; _BMRB_accession_number 11386 _BMRB_flat_file_name bmr11386.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" 140 "15N chemical shifts" 29 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 9th 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 ; GSSGSSGTGEKPYKCNECGK AFRAHSNLTTHQVIHTGEKP 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 LYS 12 PRO 13 TYR 14 LYS 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ARG 24 ALA 25 HIS 26 SER 27 ASN 28 LEU 29 THR 30 THR 31 HIS 32 GLN 33 VAL 34 ILE 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 2EQ1 "Solution Structure Of The 9th C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 347" 100.00 46 100.00 100.00 2.51e-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 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 P070115-14 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 700 _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 THR HA H 4.397 0.030 1 2 8 8 THR HB H 4.323 0.030 1 3 8 8 THR HG2 H 1.222 0.030 1 4 8 8 THR CA C 61.942 0.300 1 5 8 8 THR CB C 69.878 0.300 1 6 8 8 THR CG2 C 21.545 0.300 1 7 9 9 GLY HA2 H 4.035 0.030 1 8 9 9 GLY HA3 H 4.035 0.030 1 9 9 9 GLY C C 173.929 0.300 1 10 9 9 GLY CA C 45.362 0.300 1 11 10 10 GLU H H 8.125 0.030 1 12 10 10 GLU HA H 4.301 0.030 1 13 10 10 GLU HB2 H 2.032 0.030 2 14 10 10 GLU HB3 H 1.961 0.030 2 15 10 10 GLU HG2 H 2.259 0.030 2 16 10 10 GLU HG3 H 2.317 0.030 2 17 10 10 GLU C C 176.226 0.300 1 18 10 10 GLU CA C 56.469 0.300 1 19 10 10 GLU CB C 30.541 0.300 1 20 10 10 GLU CG C 36.237 0.300 1 21 10 10 GLU N N 120.419 0.300 1 22 11 11 LYS H H 8.424 0.030 1 23 11 11 LYS HA H 4.652 0.030 1 24 11 11 LYS HB2 H 1.851 0.030 2 25 11 11 LYS HB3 H 1.762 0.030 2 26 11 11 LYS HD2 H 1.721 0.030 1 27 11 11 LYS HD3 H 1.721 0.030 1 28 11 11 LYS HE2 H 3.037 0.030 1 29 11 11 LYS HE3 H 3.037 0.030 1 30 11 11 LYS HG2 H 1.500 0.030 1 31 11 11 LYS HG3 H 1.500 0.030 1 32 11 11 LYS C C 174.504 0.300 1 33 11 11 LYS CA C 54.168 0.300 1 34 11 11 LYS CB C 32.535 0.300 1 35 11 11 LYS CD C 29.158 0.300 1 36 11 11 LYS CE C 42.268 0.300 1 37 11 11 LYS CG C 24.516 0.300 1 38 11 11 LYS N N 123.700 0.300 1 39 12 12 PRO HA H 4.329 0.030 1 40 12 12 PRO HB2 H 2.061 0.030 2 41 12 12 PRO HB3 H 1.331 0.030 2 42 12 12 PRO HD2 H 3.735 0.030 2 43 12 12 PRO HD3 H 3.694 0.030 2 44 12 12 PRO HG2 H 1.860 0.030 2 45 12 12 PRO HG3 H 1.658 0.030 2 46 12 12 PRO C C 176.587 0.300 1 47 12 12 PRO CA C 63.595 0.300 1 48 12 12 PRO CB C 32.383 0.300 1 49 12 12 PRO CD C 50.391 0.300 1 50 12 12 PRO CG C 26.636 0.300 1 51 13 13 TYR H H 7.872 0.030 1 52 13 13 TYR HA H 4.686 0.030 1 53 13 13 TYR HB2 H 2.997 0.030 2 54 13 13 TYR HB3 H 2.856 0.030 2 55 13 13 TYR HD1 H 7.094 0.030 1 56 13 13 TYR HD2 H 7.094 0.030 1 57 13 13 TYR HE1 H 6.963 0.030 1 58 13 13 TYR HE2 H 6.963 0.030 1 59 13 13 TYR C C 174.464 0.300 1 60 13 13 TYR CA C 57.644 0.300 1 61 13 13 TYR CB C 38.687 0.300 1 62 13 13 TYR CD1 C 133.242 0.300 1 63 13 13 TYR CD2 C 133.242 0.300 1 64 13 13 TYR CE1 C 118.585 0.300 1 65 13 13 TYR CE2 C 118.585 0.300 1 66 13 13 TYR N N 118.378 0.300 1 67 14 14 LYS H H 8.621 0.030 1 68 14 14 LYS HA H 5.000 0.030 1 69 14 14 LYS HB2 H 1.699 0.030 2 70 14 14 LYS HB3 H 1.653 0.030 2 71 14 14 LYS HD2 H 1.632 0.030 1 72 14 14 LYS HD3 H 1.632 0.030 1 73 14 14 LYS HE2 H 2.964 0.030 1 74 14 14 LYS HE3 H 2.964 0.030 1 75 14 14 LYS HG2 H 1.222 0.030 1 76 14 14 LYS HG3 H 1.222 0.030 1 77 14 14 LYS C C 175.028 0.300 1 78 14 14 LYS CA C 55.225 0.300 1 79 14 14 LYS CB C 35.403 0.300 1 80 14 14 LYS CD C 29.402 0.300 1 81 14 14 LYS CE C 42.124 0.300 1 82 14 14 LYS CG C 24.864 0.300 1 83 14 14 LYS N N 124.825 0.300 1 84 15 15 CYS H H 9.249 0.030 1 85 15 15 CYS HA H 4.571 0.030 1 86 15 15 CYS HB2 H 3.453 0.030 2 87 15 15 CYS HB3 H 2.897 0.030 2 88 15 15 CYS C C 177.053 0.300 1 89 15 15 CYS CA C 59.394 0.300 1 90 15 15 CYS CB C 29.644 0.300 1 91 15 15 CYS N N 126.489 0.300 1 92 16 16 ASN H H 9.426 0.030 1 93 16 16 ASN HA H 4.564 0.030 1 94 16 16 ASN HB2 H 2.928 0.030 1 95 16 16 ASN HB3 H 2.928 0.030 1 96 16 16 ASN C C 175.479 0.300 1 97 16 16 ASN CA C 55.671 0.300 1 98 16 16 ASN CB C 38.537 0.300 1 99 16 16 ASN N N 130.224 0.300 1 100 17 17 GLU H H 8.684 0.030 1 101 17 17 GLU HA H 4.257 0.030 1 102 17 17 GLU HB2 H 1.340 0.030 1 103 17 17 GLU HB3 H 1.340 0.030 1 104 17 17 GLU HG2 H 1.930 0.030 2 105 17 17 GLU HG3 H 1.859 0.030 2 106 17 17 GLU C C 177.136 0.300 1 107 17 17 GLU CA C 58.437 0.300 1 108 17 17 GLU CB C 29.437 0.300 1 109 17 17 GLU CG C 35.785 0.300 1 110 17 17 GLU N N 120.548 0.300 1 111 18 18 CYS H H 7.901 0.030 1 112 18 18 CYS HA H 5.199 0.030 1 113 18 18 CYS HB2 H 3.483 0.030 2 114 18 18 CYS HB3 H 2.914 0.030 2 115 18 18 CYS C C 176.245 0.300 1 116 18 18 CYS CA C 58.345 0.300 1 117 18 18 CYS CB C 32.504 0.300 1 118 18 18 CYS N N 114.464 0.300 1 119 19 19 GLY H H 8.196 0.030 1 120 19 19 GLY HA2 H 4.279 0.030 2 121 19 19 GLY HA3 H 3.822 0.030 2 122 19 19 GLY C C 173.712 0.300 1 123 19 19 GLY CA C 46.278 0.300 1 124 19 19 GLY N N 113.418 0.300 1 125 20 20 LYS H H 8.000 0.030 1 126 20 20 LYS HA H 3.968 0.030 1 127 20 20 LYS HB2 H 1.461 0.030 2 128 20 20 LYS HB3 H 1.232 0.030 2 129 20 20 LYS HD2 H 1.547 0.030 2 130 20 20 LYS HD3 H 1.478 0.030 2 131 20 20 LYS HE2 H 2.972 0.030 1 132 20 20 LYS HE3 H 2.972 0.030 1 133 20 20 LYS HG2 H 1.096 0.030 2 134 20 20 LYS HG3 H 1.443 0.030 2 135 20 20 LYS C C 173.474 0.300 1 136 20 20 LYS CA C 58.291 0.300 1 137 20 20 LYS CB C 33.754 0.300 1 138 20 20 LYS CD C 29.421 0.300 1 139 20 20 LYS CE C 42.124 0.300 1 140 20 20 LYS CG C 26.271 0.300 1 141 20 20 LYS N N 123.114 0.300 1 142 21 21 ALA H H 7.794 0.030 1 143 21 21 ALA HA H 5.167 0.030 1 144 21 21 ALA HB H 1.251 0.030 1 145 21 21 ALA C C 176.207 0.300 1 146 21 21 ALA CA C 50.362 0.300 1 147 21 21 ALA CB C 22.353 0.300 1 148 21 21 ALA N N 123.841 0.300 1 149 22 22 PHE H H 8.806 0.030 1 150 22 22 PHE HA H 4.755 0.030 1 151 22 22 PHE HB2 H 3.447 0.030 2 152 22 22 PHE HB3 H 2.697 0.030 2 153 22 22 PHE HD1 H 7.288 0.030 1 154 22 22 PHE HD2 H 7.288 0.030 1 155 22 22 PHE HE1 H 6.880 0.030 1 156 22 22 PHE HE2 H 6.880 0.030 1 157 22 22 PHE HZ H 6.221 0.030 1 158 22 22 PHE C C 175.226 0.300 1 159 22 22 PHE CA C 58.498 0.300 1 160 22 22 PHE CB C 43.869 0.300 1 161 22 22 PHE CD1 C 132.339 0.300 1 162 22 22 PHE CD2 C 132.339 0.300 1 163 22 22 PHE CE1 C 130.786 0.300 1 164 22 22 PHE CE2 C 130.786 0.300 1 165 22 22 PHE CZ C 128.738 0.300 1 166 22 22 PHE N N 116.600 0.300 1 167 23 23 ARG H H 9.245 0.030 1 168 23 23 ARG HA H 4.560 0.030 1 169 23 23 ARG HB2 H 2.089 0.030 2 170 23 23 ARG HB3 H 2.025 0.030 2 171 23 23 ARG HD2 H 3.351 0.030 1 172 23 23 ARG HD3 H 3.351 0.030 1 173 23 23 ARG HG2 H 1.865 0.030 1 174 23 23 ARG HG3 H 1.865 0.030 1 175 23 23 ARG C C 175.328 0.300 1 176 23 23 ARG CA C 58.114 0.300 1 177 23 23 ARG CB C 31.205 0.300 1 178 23 23 ARG CD C 43.453 0.300 1 179 23 23 ARG CG C 27.980 0.300 1 180 23 23 ARG N N 120.733 0.300 1 181 24 24 ALA H H 7.709 0.030 1 182 24 24 ALA HA H 4.874 0.030 1 183 24 24 ALA HB H 1.489 0.030 1 184 24 24 ALA C C 177.051 0.300 1 185 24 24 ALA CA C 50.519 0.300 1 186 24 24 ALA CB C 21.552 0.300 1 187 24 24 ALA N N 118.603 0.300 1 188 25 25 HIS H H 8.580 0.030 1 189 25 25 HIS HA H 3.275 0.030 1 190 25 25 HIS HB2 H 2.472 0.030 2 191 25 25 HIS HB3 H 2.758 0.030 2 192 25 25 HIS HD2 H 6.884 0.030 1 193 25 25 HIS HE1 H 7.722 0.030 1 194 25 25 HIS C C 177.720 0.300 1 195 25 25 HIS CA C 60.354 0.300 1 196 25 25 HIS CB C 30.265 0.300 1 197 25 25 HIS CD2 C 118.874 0.300 1 198 25 25 HIS CE1 C 138.327 0.300 1 199 25 25 HIS N N 125.543 0.300 1 200 26 26 SER HA H 4.086 0.030 1 201 26 26 SER HB2 H 3.857 0.030 1 202 26 26 SER HB3 H 3.857 0.030 1 203 26 26 SER C C 176.615 0.300 1 204 26 26 SER CA C 60.743 0.300 1 205 26 26 SER CB C 61.723 0.300 1 206 27 27 ASN H H 6.993 0.030 1 207 27 27 ASN HA H 4.487 0.030 1 208 27 27 ASN HB2 H 2.938 0.030 1 209 27 27 ASN HB3 H 2.938 0.030 1 210 27 27 ASN C C 177.077 0.300 1 211 27 27 ASN CA C 55.431 0.300 1 212 27 27 ASN CB C 38.927 0.300 1 213 27 27 ASN N N 118.761 0.300 1 214 28 28 LEU H H 7.073 0.030 1 215 28 28 LEU HA H 3.219 0.030 1 216 28 28 LEU HB2 H 1.977 0.030 2 217 28 28 LEU HB3 H 1.192 0.030 2 218 28 28 LEU HD1 H 0.989 0.030 1 219 28 28 LEU HD2 H 1.005 0.030 1 220 28 28 LEU HG H 1.430 0.030 1 221 28 28 LEU C C 177.766 0.300 1 222 28 28 LEU CA C 58.019 0.300 1 223 28 28 LEU CB C 40.328 0.300 1 224 28 28 LEU CD1 C 26.410 0.300 2 225 28 28 LEU CD2 C 23.086 0.300 2 226 28 28 LEU CG C 27.508 0.300 1 227 28 28 LEU N N 122.177 0.300 1 228 29 29 THR H H 8.210 0.030 1 229 29 29 THR HA H 3.932 0.030 1 230 29 29 THR HB H 4.136 0.030 1 231 29 29 THR HG2 H 1.056 0.030 1 232 29 29 THR C C 177.651 0.300 1 233 29 29 THR CA C 66.312 0.300 1 234 29 29 THR CB C 68.228 0.300 1 235 29 29 THR CG2 C 21.790 0.300 1 236 29 29 THR N N 114.274 0.300 1 237 30 30 THR H H 7.749 0.030 1 238 30 30 THR HA H 3.983 0.030 1 239 30 30 THR HB H 4.113 0.030 1 240 30 30 THR HG2 H 1.254 0.030 1 241 30 30 THR C C 176.165 0.300 1 242 30 30 THR CA C 65.991 0.300 1 243 30 30 THR CB C 68.812 0.300 1 244 30 30 THR CG2 C 22.041 0.300 1 245 30 30 THR N N 116.811 0.300 1 246 31 31 HIS H H 7.393 0.030 1 247 31 31 HIS HA H 4.270 0.030 1 248 31 31 HIS HB2 H 3.228 0.030 2 249 31 31 HIS HB3 H 2.949 0.030 2 250 31 31 HIS HD2 H 6.951 0.030 1 251 31 31 HIS HE1 H 8.088 0.030 1 252 31 31 HIS C C 176.190 0.300 1 253 31 31 HIS CA C 59.069 0.300 1 254 31 31 HIS CB C 28.612 0.300 1 255 31 31 HIS CD2 C 127.180 0.300 1 256 31 31 HIS CE1 C 139.838 0.300 1 257 31 31 HIS N N 121.005 0.300 1 258 32 32 GLN H H 8.148 0.030 1 259 32 32 GLN HA H 3.648 0.030 1 260 32 32 GLN HB2 H 2.259 0.030 2 261 32 32 GLN HB3 H 2.327 0.030 2 262 32 32 GLN HE21 H 7.648 0.030 2 263 32 32 GLN HE22 H 7.030 0.030 2 264 32 32 GLN HG2 H 2.848 0.030 1 265 32 32 GLN HG3 H 2.848 0.030 1 266 32 32 GLN C C 177.121 0.300 1 267 32 32 GLN CA C 59.537 0.300 1 268 32 32 GLN CB C 28.545 0.300 1 269 32 32 GLN CG C 35.463 0.300 1 270 32 32 GLN N N 114.116 0.300 1 271 32 32 GLN NE2 N 112.283 0.300 1 272 33 33 VAL H H 6.974 0.030 1 273 33 33 VAL HA H 3.929 0.030 1 274 33 33 VAL HB H 2.140 0.030 1 275 33 33 VAL HG1 H 1.056 0.030 1 276 33 33 VAL HG2 H 0.978 0.030 1 277 33 33 VAL C C 178.267 0.300 1 278 33 33 VAL CA C 64.505 0.300 1 279 33 33 VAL CB C 31.737 0.300 1 280 33 33 VAL CG1 C 21.271 0.300 2 281 33 33 VAL CG2 C 21.083 0.300 2 282 33 33 VAL N N 117.088 0.300 1 283 34 34 ILE H H 7.675 0.030 1 284 34 34 ILE HA H 3.995 0.030 1 285 34 34 ILE HB H 1.704 0.030 1 286 34 34 ILE HD1 H 0.737 0.030 1 287 34 34 ILE HG12 H 0.949 0.030 2 288 34 34 ILE HG13 H 0.742 0.030 2 289 34 34 ILE HG2 H 0.578 0.030 1 290 34 34 ILE C C 177.156 0.300 1 291 34 34 ILE CA C 63.237 0.300 1 292 34 34 ILE CB C 37.697 0.300 1 293 34 34 ILE CD1 C 14.467 0.300 1 294 34 34 ILE CG1 C 26.744 0.300 1 295 34 34 ILE CG2 C 16.567 0.300 1 296 34 34 ILE N N 117.606 0.300 1 297 35 35 HIS H H 7.313 0.030 1 298 35 35 HIS HA H 4.922 0.030 1 299 35 35 HIS HB2 H 3.413 0.030 2 300 35 35 HIS HB3 H 3.247 0.030 2 301 35 35 HIS HD2 H 6.802 0.030 1 302 35 35 HIS HE1 H 8.098 0.030 1 303 35 35 HIS C C 175.804 0.300 1 304 35 35 HIS CA C 55.159 0.300 1 305 35 35 HIS CB C 28.659 0.300 1 306 35 35 HIS CD2 C 127.779 0.300 1 307 35 35 HIS CE1 C 140.110 0.300 1 308 35 35 HIS N N 117.350 0.300 1 309 36 36 THR H H 7.845 0.030 1 310 36 36 THR HA H 4.393 0.030 1 311 36 36 THR HB H 4.370 0.030 1 312 36 36 THR HG2 H 1.295 0.030 1 313 36 36 THR C C 175.502 0.300 1 314 36 36 THR CA C 62.857 0.300 1 315 36 36 THR CB C 70.110 0.300 1 316 36 36 THR CG2 C 21.618 0.300 1 317 36 36 THR N N 112.071 0.300 1 318 37 37 GLY H H 8.340 0.030 1 319 37 37 GLY HA2 H 3.973 0.030 1 320 37 37 GLY HA3 H 3.973 0.030 1 321 37 37 GLY C C 174.031 0.300 1 322 37 37 GLY CA C 45.274 0.300 1 323 37 37 GLY N N 110.710 0.300 1 324 38 38 GLU H H 8.250 0.030 1 325 38 38 GLU HA H 4.221 0.030 1 326 38 38 GLU HB2 H 2.030 0.030 2 327 38 38 GLU HB3 H 1.959 0.030 2 328 38 38 GLU HG2 H 2.249 0.030 2 329 38 38 GLU HG3 H 2.303 0.030 2 330 38 38 GLU C C 176.363 0.300 1 331 38 38 GLU CA C 57.031 0.300 1 332 38 38 GLU CB C 30.580 0.300 1 333 38 38 GLU CG C 36.273 0.300 1 334 38 38 GLU N N 120.257 0.300 1 335 39 39 LYS H H 8.284 0.030 1 336 39 39 LYS HA H 4.570 0.030 1 337 39 39 LYS HB2 H 1.611 0.030 2 338 39 39 LYS HB3 H 1.444 0.030 2 339 39 39 LYS HD2 H 1.532 0.030 1 340 39 39 LYS HD3 H 1.532 0.030 1 341 39 39 LYS HE2 H 2.928 0.030 1 342 39 39 LYS HE3 H 2.928 0.030 1 343 39 39 LYS HG2 H 1.363 0.030 2 344 39 39 LYS HG3 H 1.136 0.030 2 345 39 39 LYS C C 174.010 0.300 1 346 39 39 LYS CA C 53.863 0.300 1 347 39 39 LYS CB C 33.229 0.300 1 348 39 39 LYS CD C 29.583 0.300 1 349 39 39 LYS CE C 42.307 0.300 1 350 39 39 LYS CG C 25.178 0.300 1 351 39 39 LYS N N 121.060 0.300 1 352 40 40 PRO HD2 H 3.712 0.030 1 353 40 40 PRO HD3 H 3.712 0.030 1 354 40 40 PRO CD C 50.452 0.300 1 stop_ save_