data_11382 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the secound C2H2 type zinc finger domain of Zinc finger protein 32 ; _BMRB_accession_number 11382 _BMRB_flat_file_name bmr11382.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" 202 "13C chemical shifts" 149 "15N chemical shifts" 33 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 secound C2H2 type zinc finger domain of Zinc finger protein 32 ; _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 32' _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 45 _Mol_residue_sequence ; GSSGSSGTGQKPFECTHCGK SFRAKGNLVTHQRIHTGEKS GPSSG ; 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 GLN 11 LYS 12 PRO 13 PHE 14 GLU 15 CYS 16 THR 17 HIS 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 ARG 24 ALA 25 LYS 26 GLY 27 ASN 28 LEU 29 VAL 30 THR 31 HIS 32 GLN 33 ARG 34 ILE 35 HIS 36 THR 37 GLY 38 GLU 39 LYS 40 SER 41 GLY 42 PRO 43 SER 44 SER 45 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 2EPU "Solution Structure Of The Secound C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 32" 100.00 45 100.00 100.00 5.22e-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 P061204-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.93mM 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 0.93 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 '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 THR HA H 4.380 0.030 1 2 8 8 THR CA C 61.958 0.300 1 3 8 8 THR CB C 69.773 0.300 1 4 9 9 GLY HA2 H 3.946 0.030 1 5 9 9 GLY HA3 H 3.946 0.030 1 6 9 9 GLY C C 173.909 0.300 1 7 9 9 GLY CA C 45.463 0.300 1 8 10 10 GLN H H 8.181 0.030 1 9 10 10 GLN HA H 4.271 0.030 1 10 10 10 GLN HB2 H 1.942 0.030 2 11 10 10 GLN HB3 H 2.055 0.030 2 12 10 10 GLN HG2 H 2.329 0.030 1 13 10 10 GLN HG3 H 2.329 0.030 1 14 10 10 GLN C C 175.800 0.300 1 15 10 10 GLN CA C 55.882 0.300 1 16 10 10 GLN CB C 29.638 0.300 1 17 10 10 GLN CG C 33.882 0.300 1 18 10 10 GLN N N 119.714 0.300 1 19 10 10 GLN NE2 N 111.000 0.300 1 20 11 11 LYS H H 8.333 0.030 1 21 11 11 LYS HA H 4.519 0.030 1 22 11 11 LYS HB2 H 1.615 0.030 1 23 11 11 LYS HB3 H 1.615 0.030 1 24 11 11 LYS HD2 H 1.588 0.030 1 25 11 11 LYS HD3 H 1.588 0.030 1 26 11 11 LYS HE2 H 2.939 0.030 1 27 11 11 LYS HE3 H 2.939 0.030 1 28 11 11 LYS HG2 H 1.292 0.030 2 29 11 11 LYS HG3 H 1.395 0.030 2 30 11 11 LYS C C 174.273 0.300 1 31 11 11 LYS CA C 54.181 0.300 1 32 11 11 LYS CB C 32.569 0.300 1 33 11 11 LYS CD C 29.280 0.300 1 34 11 11 LYS CE C 42.137 0.300 1 35 11 11 LYS CG C 24.761 0.300 1 36 11 11 LYS N N 123.663 0.300 1 37 12 12 PRO HA H 4.299 0.030 1 38 12 12 PRO HB2 H 2.021 0.030 2 39 12 12 PRO HB3 H 1.478 0.030 2 40 12 12 PRO HD2 H 3.679 0.030 2 41 12 12 PRO HD3 H 3.608 0.030 2 42 12 12 PRO HG2 H 1.845 0.030 2 43 12 12 PRO HG3 H 1.765 0.030 2 44 12 12 PRO C C 176.077 0.300 1 45 12 12 PRO CA C 63.297 0.300 1 46 12 12 PRO CB C 32.290 0.300 1 47 12 12 PRO CD C 50.405 0.300 1 48 12 12 PRO CG C 26.978 0.300 1 49 13 13 PHE H H 8.257 0.030 1 50 13 13 PHE HA H 4.658 0.030 1 51 13 13 PHE HB2 H 2.977 0.030 2 52 13 13 PHE HB3 H 3.087 0.030 2 53 13 13 PHE HD1 H 7.187 0.030 1 54 13 13 PHE HD2 H 7.187 0.030 1 55 13 13 PHE HE1 H 7.436 0.030 1 56 13 13 PHE HE2 H 7.436 0.030 1 57 13 13 PHE HZ H 7.409 0.030 1 58 13 13 PHE C C 174.565 0.300 1 59 13 13 PHE CA C 57.315 0.300 1 60 13 13 PHE CB C 39.461 0.300 1 61 13 13 PHE CD1 C 131.794 0.300 1 62 13 13 PHE CD2 C 131.794 0.300 1 63 13 13 PHE CE1 C 131.753 0.300 1 64 13 13 PHE CE2 C 131.753 0.300 1 65 13 13 PHE CZ C 130.119 0.300 1 66 13 13 PHE N N 118.589 0.300 1 67 14 14 GLU H H 8.509 0.030 1 68 14 14 GLU HA H 4.865 0.030 1 69 14 14 GLU HB2 H 1.840 0.030 1 70 14 14 GLU HB3 H 1.840 0.030 1 71 14 14 GLU HG2 H 1.998 0.030 2 72 14 14 GLU HG3 H 1.934 0.030 2 73 14 14 GLU C C 175.162 0.300 1 74 14 14 GLU CA C 55.122 0.300 1 75 14 14 GLU CB C 32.883 0.300 1 76 14 14 GLU CG C 36.536 0.300 1 77 14 14 GLU N N 123.739 0.300 1 78 15 15 CYS H H 9.236 0.030 1 79 15 15 CYS HA H 4.687 0.030 1 80 15 15 CYS HB2 H 3.503 0.030 2 81 15 15 CYS HB3 H 2.932 0.030 2 82 15 15 CYS C C 177.694 0.300 1 83 15 15 CYS CA C 59.448 0.300 1 84 15 15 CYS CB C 29.849 0.300 1 85 15 15 CYS N N 126.575 0.300 1 86 16 16 THR H H 8.977 0.030 1 87 16 16 THR HA H 4.151 0.030 1 88 16 16 THR HB H 4.203 0.030 1 89 16 16 THR HG2 H 1.236 0.030 1 90 16 16 THR C C 174.661 0.300 1 91 16 16 THR CA C 64.319 0.300 1 92 16 16 THR CB C 68.701 0.300 1 93 16 16 THR CG2 C 21.717 0.300 1 94 16 16 THR N N 124.566 0.300 1 95 17 17 HIS H H 8.620 0.030 1 96 17 17 HIS HA H 4.360 0.030 1 97 17 17 HIS HB2 H 2.392 0.030 2 98 17 17 HIS HB3 H 2.154 0.030 2 99 17 17 HIS HD2 H 6.794 0.030 1 100 17 17 HIS HE1 H 7.693 0.030 1 101 17 17 HIS C C 176.667 0.300 1 102 17 17 HIS CA C 58.577 0.300 1 103 17 17 HIS CB C 30.371 0.300 1 104 17 17 HIS CD2 C 119.445 0.300 1 105 17 17 HIS CE1 C 138.824 0.300 1 106 17 17 HIS N N 122.119 0.300 1 107 18 18 CYS H H 7.927 0.030 1 108 18 18 CYS HA H 5.199 0.030 1 109 18 18 CYS HB2 H 3.487 0.030 2 110 18 18 CYS HB3 H 2.914 0.030 2 111 18 18 CYS C C 176.050 0.300 1 112 18 18 CYS CA C 58.426 0.300 1 113 18 18 CYS CB C 32.754 0.300 1 114 18 18 CYS N N 114.191 0.300 1 115 19 19 GLY H H 8.264 0.030 1 116 19 19 GLY HA2 H 4.245 0.030 2 117 19 19 GLY HA3 H 3.908 0.030 2 118 19 19 GLY C C 173.759 0.300 1 119 19 19 GLY CA C 46.263 0.300 1 120 19 19 GLY N N 113.250 0.300 1 121 20 20 LYS H H 8.035 0.030 1 122 20 20 LYS HA H 4.077 0.030 1 123 20 20 LYS HB2 H 1.278 0.030 2 124 20 20 LYS HB3 H 1.493 0.030 2 125 20 20 LYS HD2 H 1.541 0.030 2 126 20 20 LYS HD3 H 1.463 0.030 2 127 20 20 LYS HE2 H 2.932 0.030 2 128 20 20 LYS HE3 H 3.004 0.030 2 129 20 20 LYS HG2 H 1.469 0.030 2 130 20 20 LYS HG3 H 1.136 0.030 2 131 20 20 LYS C C 174.270 0.300 1 132 20 20 LYS CA C 58.003 0.300 1 133 20 20 LYS CB C 33.879 0.300 1 134 20 20 LYS CD C 29.293 0.300 1 135 20 20 LYS CE C 42.246 0.300 1 136 20 20 LYS CG C 26.244 0.300 1 137 20 20 LYS N N 122.962 0.300 1 138 21 21 SER H H 7.895 0.030 1 139 21 21 SER HA H 5.261 0.030 1 140 21 21 SER HB2 H 3.638 0.030 1 141 21 21 SER HB3 H 3.638 0.030 1 142 21 21 SER C C 173.188 0.300 1 143 21 21 SER CA C 56.858 0.300 1 144 21 21 SER CB C 65.888 0.300 1 145 21 21 SER N N 115.533 0.300 1 146 22 22 PHE H H 8.681 0.030 1 147 22 22 PHE HA H 4.755 0.030 1 148 22 22 PHE HB2 H 2.685 0.030 2 149 22 22 PHE HB3 H 3.428 0.030 2 150 22 22 PHE HD1 H 7.302 0.030 1 151 22 22 PHE HD2 H 7.302 0.030 1 152 22 22 PHE HE1 H 6.874 0.030 1 153 22 22 PHE HE2 H 6.874 0.030 1 154 22 22 PHE HZ H 6.213 0.030 1 155 22 22 PHE C C 175.040 0.300 1 156 22 22 PHE CA C 57.431 0.300 1 157 22 22 PHE CB C 43.711 0.300 1 158 22 22 PHE CD1 C 132.325 0.300 1 159 22 22 PHE CD2 C 132.325 0.300 1 160 22 22 PHE CE1 C 130.726 0.300 1 161 22 22 PHE CE2 C 130.726 0.300 1 162 22 22 PHE CZ C 128.786 0.300 1 163 22 22 PHE N N 118.616 0.300 1 164 23 23 ARG HA H 4.470 0.030 1 165 23 23 ARG HB2 H 1.955 0.030 2 166 23 23 ARG HB3 H 2.038 0.030 2 167 23 23 ARG HD2 H 3.276 0.030 1 168 23 23 ARG HD3 H 3.276 0.030 1 169 23 23 ARG HG2 H 1.808 0.030 2 170 23 23 ARG HG3 H 1.767 0.030 2 171 23 23 ARG C C 175.612 0.300 1 172 23 23 ARG CA C 57.580 0.300 1 173 23 23 ARG CB C 30.919 0.300 1 174 23 23 ARG CD C 43.339 0.300 1 175 23 23 ARG CG C 27.713 0.300 1 176 24 24 ALA H H 7.730 0.030 1 177 24 24 ALA HA H 4.694 0.030 1 178 24 24 ALA HB H 1.436 0.030 1 179 24 24 ALA C C 177.017 0.300 1 180 24 24 ALA CA C 50.498 0.300 1 181 24 24 ALA CB C 21.366 0.300 1 182 24 24 ALA N N 119.648 0.300 1 183 25 25 LYS H H 8.399 0.030 1 184 25 25 LYS HA H 2.992 0.030 1 185 25 25 LYS HB2 H 1.125 0.030 2 186 25 25 LYS HB3 H 1.425 0.030 2 187 25 25 LYS HD2 H 1.576 0.030 2 188 25 25 LYS HD3 H 1.500 0.030 2 189 25 25 LYS HE2 H 2.829 0.030 2 190 25 25 LYS HE3 H 2.890 0.030 2 191 25 25 LYS HG2 H 1.018 0.030 2 192 25 25 LYS HG3 H 1.212 0.030 2 193 25 25 LYS C C 178.550 0.300 1 194 25 25 LYS CA C 59.273 0.300 1 195 25 25 LYS CB C 31.936 0.300 1 196 25 25 LYS CD C 29.053 0.300 1 197 25 25 LYS CE C 42.110 0.300 1 198 25 25 LYS CG C 24.737 0.300 1 199 25 25 LYS N N 125.614 0.300 1 200 26 26 GLY H H 8.818 0.030 1 201 26 26 GLY HA2 H 3.676 0.030 2 202 26 26 GLY HA3 H 3.799 0.030 2 203 26 26 GLY C C 176.127 0.300 1 204 26 26 GLY CA C 47.055 0.300 1 205 26 26 GLY N N 104.522 0.300 1 206 27 27 ASN H H 6.988 0.030 1 207 27 27 ASN HA H 4.513 0.030 1 208 27 27 ASN HB2 H 2.915 0.030 1 209 27 27 ASN HB3 H 2.915 0.030 1 210 27 27 ASN HD21 H 6.872 0.030 2 211 27 27 ASN HD22 H 7.560 0.030 2 212 27 27 ASN C C 177.207 0.300 1 213 27 27 ASN CA C 55.176 0.300 1 214 27 27 ASN CB C 38.641 0.300 1 215 27 27 ASN N N 116.758 0.300 1 216 27 27 ASN ND2 N 112.813 0.300 1 217 28 28 LEU H H 7.011 0.030 1 218 28 28 LEU HA H 3.213 0.030 1 219 28 28 LEU HB2 H 2.108 0.030 2 220 28 28 LEU HB3 H 1.238 0.030 2 221 28 28 LEU HD1 H 1.020 0.030 1 222 28 28 LEU HD2 H 1.038 0.030 1 223 28 28 LEU HG H 1.524 0.030 1 224 28 28 LEU C C 177.450 0.300 1 225 28 28 LEU CA C 58.006 0.300 1 226 28 28 LEU CB C 40.404 0.300 1 227 28 28 LEU CD1 C 26.541 0.300 2 228 28 28 LEU CD2 C 23.044 0.300 2 229 28 28 LEU CG C 27.529 0.300 1 230 28 28 LEU N N 122.775 0.300 1 231 29 29 VAL H H 8.109 0.030 1 232 29 29 VAL HA H 3.637 0.030 1 233 29 29 VAL HB H 2.055 0.030 1 234 29 29 VAL HG1 H 0.897 0.030 1 235 29 29 VAL HG2 H 0.987 0.030 1 236 29 29 VAL C C 179.346 0.300 1 237 29 29 VAL CA C 66.694 0.300 1 238 29 29 VAL CB C 31.605 0.300 1 239 29 29 VAL CG1 C 20.964 0.300 2 240 29 29 VAL CG2 C 22.471 0.300 2 241 29 29 VAL N N 119.544 0.300 1 242 30 30 THR H H 7.759 0.030 1 243 30 30 THR HA H 3.816 0.030 1 244 30 30 THR HB H 4.062 0.030 1 245 30 30 THR HG2 H 1.223 0.030 1 246 30 30 THR C C 176.801 0.300 1 247 30 30 THR CA C 66.334 0.300 1 248 30 30 THR CB C 68.697 0.300 1 249 30 30 THR CG2 C 22.159 0.300 1 250 30 30 THR N N 114.834 0.300 1 251 31 31 HIS H H 7.503 0.030 1 252 31 31 HIS HA H 4.207 0.030 1 253 31 31 HIS HB2 H 2.950 0.030 2 254 31 31 HIS HB3 H 3.147 0.030 2 255 31 31 HIS HD2 H 7.007 0.030 1 256 31 31 HIS HE1 H 8.095 0.030 1 257 31 31 HIS C C 176.075 0.300 1 258 31 31 HIS CA C 59.359 0.300 1 259 31 31 HIS CB C 28.604 0.300 1 260 31 31 HIS CD2 C 127.400 0.300 1 261 31 31 HIS CE1 C 139.720 0.300 1 262 31 31 HIS N N 121.308 0.300 1 263 32 32 GLN H H 8.458 0.030 1 264 32 32 GLN HA H 3.714 0.030 1 265 32 32 GLN HB2 H 2.368 0.030 2 266 32 32 GLN HB3 H 2.244 0.030 2 267 32 32 GLN HE21 H 7.573 0.030 2 268 32 32 GLN HE22 H 7.092 0.030 2 269 32 32 GLN HG2 H 2.892 0.030 1 270 32 32 GLN HG3 H 2.892 0.030 1 271 32 32 GLN C C 177.342 0.300 1 272 32 32 GLN CA C 59.331 0.300 1 273 32 32 GLN CB C 28.338 0.300 1 274 32 32 GLN CG C 35.525 0.300 1 275 32 32 GLN N N 114.918 0.300 1 276 32 32 GLN NE2 N 111.904 0.300 1 277 33 33 ARG H H 7.143 0.030 1 278 33 33 ARG HA H 4.123 0.030 1 279 33 33 ARG HB2 H 1.888 0.030 2 280 33 33 ARG HB3 H 1.801 0.030 2 281 33 33 ARG HD2 H 3.210 0.030 1 282 33 33 ARG HD3 H 3.210 0.030 1 283 33 33 ARG HG2 H 1.671 0.030 2 284 33 33 ARG HG3 H 1.854 0.030 2 285 33 33 ARG C C 178.540 0.300 1 286 33 33 ARG CA C 58.542 0.300 1 287 33 33 ARG CB C 30.109 0.300 1 288 33 33 ARG CD C 43.643 0.300 1 289 33 33 ARG CG C 27.699 0.300 1 290 33 33 ARG N N 117.815 0.300 1 291 34 34 ILE H H 7.745 0.030 1 292 34 34 ILE HA H 3.962 0.030 1 293 34 34 ILE HB H 1.654 0.030 1 294 34 34 ILE HD1 H 0.686 0.030 1 295 34 34 ILE HG12 H 0.637 0.030 2 296 34 34 ILE HG13 H 0.895 0.030 2 297 34 34 ILE HG2 H 0.564 0.030 1 298 34 34 ILE C C 177.206 0.300 1 299 34 34 ILE CA C 63.112 0.300 1 300 34 34 ILE CB C 37.738 0.300 1 301 34 34 ILE CD1 C 14.489 0.300 1 302 34 34 ILE CG1 C 26.426 0.300 1 303 34 34 ILE CG2 C 16.393 0.300 1 304 34 34 ILE N N 115.847 0.300 1 305 35 35 HIS H H 7.180 0.030 1 306 35 35 HIS HA H 4.736 0.030 1 307 35 35 HIS HB2 H 2.698 0.030 2 308 35 35 HIS HB3 H 2.809 0.030 2 309 35 35 HIS HD2 H 6.683 0.030 1 310 35 35 HIS HE1 H 8.093 0.030 1 311 35 35 HIS C C 175.559 0.300 1 312 35 35 HIS CA C 54.791 0.300 1 313 35 35 HIS CB C 28.143 0.300 1 314 35 35 HIS CD2 C 128.094 0.300 1 315 35 35 HIS CE1 C 140.265 0.300 1 316 35 35 HIS N N 117.323 0.300 1 317 36 36 THR H H 7.644 0.030 1 318 36 36 THR HA H 4.278 0.030 1 319 36 36 THR HB H 4.297 0.030 1 320 36 36 THR HG2 H 1.210 0.030 1 321 36 36 THR C C 175.344 0.300 1 322 36 36 THR CA C 62.663 0.300 1 323 36 36 THR CB C 69.805 0.300 1 324 36 36 THR CG2 C 21.557 0.300 1 325 36 36 THR N N 112.107 0.300 1 326 37 37 GLY H H 8.293 0.030 1 327 37 37 GLY HA2 H 3.958 0.030 2 328 37 37 GLY HA3 H 4.003 0.030 2 329 37 37 GLY C C 174.151 0.300 1 330 37 37 GLY CA C 45.467 0.300 1 331 37 37 GLY N N 111.018 0.300 1 332 38 38 GLU H H 8.087 0.030 1 333 38 38 GLU HA H 4.261 0.030 1 334 38 38 GLU HB2 H 1.940 0.030 2 335 38 38 GLU HB3 H 2.036 0.030 2 336 38 38 GLU HG2 H 2.256 0.030 1 337 38 38 GLU HG3 H 2.256 0.030 1 338 38 38 GLU C C 176.603 0.300 1 339 38 38 GLU CA C 56.714 0.300 1 340 38 38 GLU CB C 30.401 0.300 1 341 38 38 GLU CG C 36.317 0.300 1 342 38 38 GLU N N 120.721 0.300 1 343 39 39 LYS H H 8.423 0.030 1 344 39 39 LYS HA H 4.380 0.030 1 345 39 39 LYS HB2 H 1.772 0.030 2 346 39 39 LYS HB3 H 1.877 0.030 2 347 39 39 LYS HD2 H 1.680 0.030 1 348 39 39 LYS HD3 H 1.680 0.030 1 349 39 39 LYS HE2 H 2.984 0.030 1 350 39 39 LYS HE3 H 2.984 0.030 1 351 39 39 LYS HG2 H 1.447 0.030 1 352 39 39 LYS HG3 H 1.447 0.030 1 353 39 39 LYS C C 176.499 0.300 1 354 39 39 LYS CA C 56.188 0.300 1 355 39 39 LYS CB C 32.989 0.300 1 356 39 39 LYS CD C 29.032 0.300 1 357 39 39 LYS CE C 42.160 0.300 1 358 39 39 LYS CG C 24.712 0.300 1 359 39 39 LYS N N 122.483 0.300 1 360 40 40 SER H H 8.319 0.030 1 361 40 40 SER HA H 4.490 0.030 1 362 40 40 SER HB2 H 3.873 0.030 2 363 40 40 SER HB3 H 3.941 0.030 2 364 40 40 SER C C 174.419 0.300 1 365 40 40 SER CA C 58.222 0.300 1 366 40 40 SER CB C 64.114 0.300 1 367 40 40 SER N N 117.067 0.300 1 368 41 41 GLY H H 8.258 0.030 1 369 41 41 GLY HA2 H 4.167 0.030 2 370 41 41 GLY HA3 H 4.102 0.030 2 371 41 41 GLY C C 171.590 0.300 1 372 41 41 GLY CA C 44.728 0.300 1 373 41 41 GLY N N 110.718 0.300 1 374 42 42 PRO HA H 4.483 0.030 1 375 42 42 PRO HB2 H 2.303 0.030 2 376 42 42 PRO HB3 H 1.983 0.030 2 377 42 42 PRO HD2 H 3.631 0.030 1 378 42 42 PRO HD3 H 3.631 0.030 1 379 42 42 PRO HG2 H 2.023 0.030 1 380 42 42 PRO HG3 H 2.023 0.030 1 381 42 42 PRO CA C 63.307 0.300 1 382 42 42 PRO CB C 32.229 0.300 1 383 42 42 PRO CD C 49.837 0.300 1 384 42 42 PRO CG C 27.141 0.300 1 stop_ save_