data_11392 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 4th C2H2 type zinc finger domain of Zinc finger protein 28 homolog ; _BMRB_accession_number 11392 _BMRB_flat_file_name bmr11392.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Futami K. . . 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" 201 "13C chemical shifts" 148 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 4th C2H2 type zinc finger domain of Zinc finger protein 28 homolog ; _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 Futami K. . . 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 28 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger domain, UNP residues 500-532' $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, UNP residues 500-532' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPFDCIDCGK AFSDHIGLNQHRRIHTGEKP 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 PHE 14 ASP 15 CYS 16 ILE 17 ASP 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 SER 24 ASP 25 HIS 26 ILE 27 GLY 28 LEU 29 ASN 30 GLN 31 HIS 32 ARG 33 ARG 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 2EPZ "Solution Structure Of The 4th C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 2.16e-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 P061225-30 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;} 0.05mM ZnCl2+1mM {IDA;} 90% H2O, 10% D2O ; 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_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, UNP residues 500-532' _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 C C 174.477 0.300 1 2 7 7 GLY CA C 45.323 0.300 1 3 8 8 THR H H 8.127 0.030 1 4 8 8 THR HA H 4.367 0.030 1 5 8 8 THR HB H 4.284 0.030 1 6 8 8 THR HG2 H 1.180 0.030 1 7 8 8 THR C C 175.278 0.300 1 8 8 8 THR CA C 61.831 0.300 1 9 8 8 THR CB C 69.794 0.300 1 10 8 8 THR CG2 C 21.553 0.300 1 11 8 8 THR N N 112.806 0.300 1 12 9 9 GLY H H 8.432 0.030 1 13 9 9 GLY HA2 H 3.935 0.030 2 14 9 9 GLY HA3 H 3.974 0.030 2 15 9 9 GLY C C 174.002 0.300 1 16 9 9 GLY CA C 45.261 0.300 1 17 9 9 GLY N N 111.027 0.300 1 18 10 10 GLU H H 8.225 0.030 1 19 10 10 GLU HA H 4.196 0.030 1 20 10 10 GLU HB2 H 1.985 0.030 2 21 10 10 GLU HB3 H 1.887 0.030 2 22 10 10 GLU HG2 H 2.195 0.030 2 23 10 10 GLU HG3 H 2.251 0.030 2 24 10 10 GLU C C 176.361 0.300 1 25 10 10 GLU CA C 56.808 0.300 1 26 10 10 GLU CB C 30.467 0.300 1 27 10 10 GLU CG C 36.294 0.300 1 28 10 10 GLU N N 120.182 0.300 1 29 11 11 LYS H H 8.322 0.030 1 30 11 11 LYS HA H 4.528 0.030 1 31 11 11 LYS HB2 H 1.602 0.030 2 32 11 11 LYS HB3 H 1.535 0.030 2 33 11 11 LYS HD2 H 1.569 0.030 2 34 11 11 LYS HD3 H 1.533 0.030 2 35 11 11 LYS HE2 H 2.986 0.030 2 36 11 11 LYS HE3 H 2.924 0.030 2 37 11 11 LYS HG2 H 1.324 0.030 2 38 11 11 LYS HG3 H 1.216 0.030 2 39 11 11 LYS C C 174.151 0.300 1 40 11 11 LYS CA C 53.878 0.300 1 41 11 11 LYS CB C 32.697 0.300 1 42 11 11 LYS CD C 29.199 0.300 1 43 11 11 LYS CE C 42.219 0.300 1 44 11 11 LYS CG C 24.523 0.300 1 45 11 11 LYS N N 121.911 0.300 1 46 12 12 PRO HA H 4.270 0.030 1 47 12 12 PRO HB2 H 1.975 0.030 2 48 12 12 PRO HB3 H 1.337 0.030 2 49 12 12 PRO HD2 H 3.556 0.030 1 50 12 12 PRO HD3 H 3.556 0.030 1 51 12 12 PRO HG2 H 1.554 0.030 2 52 12 12 PRO HG3 H 1.762 0.030 2 53 12 12 PRO C C 176.498 0.300 1 54 12 12 PRO CA C 63.500 0.300 1 55 12 12 PRO CB C 32.133 0.300 1 56 12 12 PRO CD C 50.322 0.300 1 57 12 12 PRO CG C 26.702 0.300 1 58 13 13 PHE H H 8.240 0.030 1 59 13 13 PHE HA H 4.737 0.030 1 60 13 13 PHE HB2 H 2.874 0.030 2 61 13 13 PHE HB3 H 3.031 0.030 2 62 13 13 PHE HD1 H 7.024 0.030 1 63 13 13 PHE HD2 H 7.024 0.030 1 64 13 13 PHE HE1 H 7.276 0.030 1 65 13 13 PHE HE2 H 7.276 0.030 1 66 13 13 PHE HZ H 7.318 0.030 1 67 13 13 PHE C C 174.364 0.300 1 68 13 13 PHE CA C 56.593 0.300 1 69 13 13 PHE CB C 38.969 0.300 1 70 13 13 PHE CD1 C 131.378 0.300 1 71 13 13 PHE CD2 C 131.378 0.300 1 72 13 13 PHE CE1 C 131.414 0.300 1 73 13 13 PHE CE2 C 131.414 0.300 1 74 13 13 PHE CZ C 129.721 0.300 1 75 13 13 PHE N N 118.626 0.300 1 76 14 14 ASP H H 8.013 0.030 1 77 14 14 ASP HA H 5.201 0.030 1 78 14 14 ASP HB2 H 2.378 0.030 1 79 14 14 ASP HB3 H 2.378 0.030 1 80 14 14 ASP C C 175.816 0.300 1 81 14 14 ASP CA C 53.193 0.300 1 82 14 14 ASP CB C 42.077 0.300 1 83 14 14 ASP N N 120.814 0.300 1 84 15 15 CYS H H 9.143 0.030 1 85 15 15 CYS HA H 4.665 0.030 1 86 15 15 CYS HB2 H 3.403 0.030 2 87 15 15 CYS HB3 H 2.845 0.030 2 88 15 15 CYS C C 177.927 0.300 1 89 15 15 CYS CA C 59.170 0.300 1 90 15 15 CYS CB C 29.808 0.300 1 91 15 15 CYS N N 123.367 0.300 1 92 16 16 ILE H H 9.125 0.030 1 93 16 16 ILE HA H 4.108 0.030 1 94 16 16 ILE HB H 1.985 0.030 1 95 16 16 ILE HD1 H 0.900 0.030 1 96 16 16 ILE HG12 H 1.449 0.030 2 97 16 16 ILE HG13 H 1.304 0.030 2 98 16 16 ILE HG2 H 0.985 0.030 1 99 16 16 ILE C C 175.866 0.300 1 100 16 16 ILE CA C 63.319 0.300 1 101 16 16 ILE CB C 38.314 0.300 1 102 16 16 ILE CD1 C 13.979 0.300 1 103 16 16 ILE CG1 C 27.453 0.300 1 104 16 16 ILE CG2 C 17.690 0.300 1 105 16 16 ILE N N 112.756 0.300 1 106 17 17 ASP H H 8.390 0.030 1 107 17 17 ASP HA H 4.526 0.030 1 108 17 17 ASP HB2 H 1.511 0.030 2 109 17 17 ASP HB3 H 1.848 0.030 2 110 17 17 ASP C C 176.730 0.300 1 111 17 17 ASP CA C 57.202 0.300 1 112 17 17 ASP CB C 41.556 0.300 1 113 17 17 ASP N N 121.818 0.300 1 114 18 18 CYS H H 7.853 0.030 1 115 18 18 CYS HA H 5.158 0.030 1 116 18 18 CYS HB2 H 3.409 0.030 2 117 18 18 CYS HB3 H 2.873 0.030 2 118 18 18 CYS C C 176.014 0.300 1 119 18 18 CYS CA C 58.759 0.300 1 120 18 18 CYS CB C 32.311 0.300 1 121 18 18 CYS N N 114.924 0.300 1 122 19 19 GLY H H 8.418 0.030 1 123 19 19 GLY HA2 H 3.860 0.030 2 124 19 19 GLY HA3 H 4.242 0.030 2 125 19 19 GLY C C 174.002 0.300 1 126 19 19 GLY CA C 46.146 0.300 1 127 19 19 GLY N N 113.686 0.300 1 128 20 20 LYS H H 7.887 0.030 1 129 20 20 LYS HA H 3.995 0.030 1 130 20 20 LYS HB2 H 1.301 0.030 2 131 20 20 LYS HB3 H 1.433 0.030 2 132 20 20 LYS HD2 H 1.535 0.030 2 133 20 20 LYS HD3 H 1.470 0.030 2 134 20 20 LYS HE2 H 2.916 0.030 2 135 20 20 LYS HE3 H 2.981 0.030 2 136 20 20 LYS HG2 H 1.156 0.030 2 137 20 20 LYS HG3 H 1.465 0.030 2 138 20 20 LYS C C 173.563 0.300 1 139 20 20 LYS CA C 58.123 0.300 1 140 20 20 LYS CB C 33.930 0.300 1 141 20 20 LYS CD C 29.321 0.300 1 142 20 20 LYS CE C 42.289 0.300 1 143 20 20 LYS CG C 26.294 0.300 1 144 20 20 LYS N N 122.838 0.300 1 145 21 21 ALA H H 7.718 0.030 1 146 21 21 ALA HA H 4.955 0.030 1 147 21 21 ALA HB H 1.218 0.030 1 148 21 21 ALA C C 176.637 0.300 1 149 21 21 ALA CA C 51.204 0.300 1 150 21 21 ALA CB C 22.067 0.300 1 151 21 21 ALA N N 123.960 0.300 1 152 22 22 PHE H H 8.290 0.030 1 153 22 22 PHE HA H 4.567 0.030 1 154 22 22 PHE HB2 H 3.464 0.030 2 155 22 22 PHE HB3 H 2.970 0.030 2 156 22 22 PHE HD1 H 7.278 0.030 1 157 22 22 PHE HD2 H 7.278 0.030 1 158 22 22 PHE HE1 H 6.785 0.030 1 159 22 22 PHE HE2 H 6.785 0.030 1 160 22 22 PHE HZ H 6.293 0.030 1 161 22 22 PHE C C 175.306 0.300 1 162 22 22 PHE CA C 57.809 0.300 1 163 22 22 PHE CB C 42.690 0.300 1 164 22 22 PHE CD1 C 131.886 0.300 1 165 22 22 PHE CD2 C 131.886 0.300 1 166 22 22 PHE CE1 C 130.770 0.300 1 167 22 22 PHE CE2 C 130.770 0.300 1 168 22 22 PHE CZ C 128.724 0.300 1 169 22 22 PHE N N 117.925 0.300 1 170 23 23 SER H H 9.072 0.030 1 171 23 23 SER HA H 4.537 0.030 1 172 23 23 SER HB2 H 3.950 0.030 2 173 23 23 SER HB3 H 4.003 0.030 2 174 23 23 SER C C 173.274 0.300 1 175 23 23 SER CA C 59.944 0.300 1 176 23 23 SER CB C 64.174 0.300 1 177 23 23 SER N N 114.729 0.300 1 178 24 24 ASP H H 7.698 0.030 1 179 24 24 ASP HA H 4.122 0.030 1 180 24 24 ASP HB2 H 2.789 0.030 1 181 24 24 ASP HB3 H 2.789 0.030 1 182 24 24 ASP C C 174.180 0.300 1 183 24 24 ASP CA C 52.338 0.300 1 184 24 24 ASP CB C 42.874 0.300 1 185 24 24 ASP N N 116.670 0.300 1 186 25 25 HIS H H 7.973 0.030 1 187 25 25 HIS HA H 3.761 0.030 1 188 25 25 HIS HB2 H 2.895 0.030 2 189 25 25 HIS HB3 H 2.811 0.030 2 190 25 25 HIS HD2 H 6.895 0.030 1 191 25 25 HIS HE1 H 7.742 0.030 1 192 25 25 HIS C C 177.041 0.300 1 193 25 25 HIS CA C 59.082 0.300 1 194 25 25 HIS CB C 30.407 0.300 1 195 25 25 HIS CD2 C 119.304 0.300 1 196 25 25 HIS CE1 C 138.701 0.300 1 197 25 25 HIS N N 117.409 0.300 1 198 26 26 ILE H H 7.319 0.030 1 199 26 26 ILE HA H 3.595 0.030 1 200 26 26 ILE HB H 1.796 0.030 1 201 26 26 ILE HD1 H 0.764 0.030 1 202 26 26 ILE HG12 H 1.229 0.030 2 203 26 26 ILE HG13 H 0.955 0.030 2 204 26 26 ILE HG2 H 0.795 0.030 1 205 26 26 ILE C C 178.827 0.300 1 206 26 26 ILE CA C 64.208 0.300 1 207 26 26 ILE CB C 36.987 0.300 1 208 26 26 ILE CD1 C 12.437 0.300 1 209 26 26 ILE CG1 C 28.444 0.300 1 210 26 26 ILE CG2 C 17.113 0.300 1 211 26 26 ILE N N 121.108 0.300 1 212 27 27 GLY H H 8.485 0.030 1 213 27 27 GLY HA2 H 3.699 0.030 2 214 27 27 GLY HA3 H 3.913 0.030 2 215 27 27 GLY C C 176.815 0.300 1 216 27 27 GLY CA C 46.759 0.300 1 217 27 27 GLY N N 109.264 0.300 1 218 28 28 LEU H H 7.163 0.030 1 219 28 28 LEU HA H 3.223 0.030 1 220 28 28 LEU HB2 H 1.821 0.030 2 221 28 28 LEU HB3 H 1.460 0.030 2 222 28 28 LEU HD1 H 0.982 0.030 1 223 28 28 LEU HD2 H 1.063 0.030 1 224 28 28 LEU HG H 1.467 0.030 1 225 28 28 LEU C C 177.558 0.300 1 226 28 28 LEU CA C 57.945 0.300 1 227 28 28 LEU CB C 41.066 0.300 1 228 28 28 LEU CD1 C 22.442 0.300 2 229 28 28 LEU CD2 C 26.359 0.300 2 230 28 28 LEU CG C 27.476 0.300 1 231 28 28 LEU N N 122.001 0.300 1 232 29 29 ASN H H 8.468 0.030 1 233 29 29 ASN HA H 4.253 0.030 1 234 29 29 ASN HB2 H 2.681 0.030 2 235 29 29 ASN HB3 H 2.800 0.030 2 236 29 29 ASN HD21 H 6.809 0.030 2 237 29 29 ASN HD22 H 7.499 0.030 2 238 29 29 ASN C C 178.377 0.300 1 239 29 29 ASN CA C 56.448 0.300 1 240 29 29 ASN CB C 37.892 0.300 1 241 29 29 ASN N N 118.313 0.300 1 242 29 29 ASN ND2 N 111.464 0.300 1 243 30 30 GLN H H 8.131 0.030 1 244 30 30 GLN HA H 3.951 0.030 1 245 30 30 GLN HB2 H 2.013 0.030 2 246 30 30 GLN HB3 H 2.094 0.030 2 247 30 30 GLN HE21 H 7.361 0.030 2 248 30 30 GLN HE22 H 6.811 0.030 2 249 30 30 GLN HG2 H 2.344 0.030 2 250 30 30 GLN HG3 H 2.482 0.030 2 251 30 30 GLN C C 178.614 0.300 1 252 30 30 GLN CA C 58.693 0.300 1 253 30 30 GLN CB C 28.306 0.300 1 254 30 30 GLN CG C 33.915 0.300 1 255 30 30 GLN N N 118.416 0.300 1 256 30 30 GLN NE2 N 111.483 0.300 1 257 31 31 HIS H H 7.503 0.030 1 258 31 31 HIS HA H 4.193 0.030 1 259 31 31 HIS HB2 H 2.978 0.030 2 260 31 31 HIS HB3 H 2.798 0.030 2 261 31 31 HIS HD2 H 6.914 0.030 1 262 31 31 HIS HE1 H 8.039 0.030 1 263 31 31 HIS C C 176.482 0.300 1 264 31 31 HIS CA C 59.017 0.300 1 265 31 31 HIS CB C 28.691 0.300 1 266 31 31 HIS CD2 C 127.420 0.300 1 267 31 31 HIS CE1 C 139.576 0.300 1 268 31 31 HIS N N 119.307 0.300 1 269 32 32 ARG H H 8.390 0.030 1 270 32 32 ARG HA H 3.596 0.030 1 271 32 32 ARG HB2 H 2.099 0.030 2 272 32 32 ARG HB3 H 1.901 0.030 2 273 32 32 ARG HD2 H 3.338 0.030 2 274 32 32 ARG HD3 H 3.651 0.030 2 275 32 32 ARG HG2 H 2.229 0.030 1 276 32 32 ARG HG3 H 2.229 0.030 1 277 32 32 ARG C C 177.276 0.300 1 278 32 32 ARG CA C 60.194 0.300 1 279 32 32 ARG CB C 28.932 0.300 1 280 32 32 ARG CD C 42.694 0.300 1 281 32 32 ARG CG C 28.809 0.300 1 282 32 32 ARG N N 115.060 0.300 1 283 33 33 ARG H H 7.012 0.030 1 284 33 33 ARG HA H 4.117 0.030 1 285 33 33 ARG HB2 H 1.858 0.030 2 286 33 33 ARG HB3 H 1.737 0.030 2 287 33 33 ARG HD2 H 3.186 0.030 1 288 33 33 ARG HD3 H 3.186 0.030 1 289 33 33 ARG HG2 H 1.813 0.030 2 290 33 33 ARG HG3 H 1.649 0.030 2 291 33 33 ARG C C 178.416 0.300 1 292 33 33 ARG CA C 58.631 0.300 1 293 33 33 ARG CB C 30.120 0.300 1 294 33 33 ARG CD C 43.489 0.300 1 295 33 33 ARG CG C 27.395 0.300 1 296 33 33 ARG N N 118.231 0.300 1 297 34 34 ILE H H 7.720 0.030 1 298 34 34 ILE HA H 3.991 0.030 1 299 34 34 ILE HB H 1.664 0.030 1 300 34 34 ILE HD1 H 0.682 0.030 1 301 34 34 ILE HG12 H 0.899 0.030 2 302 34 34 ILE HG13 H 0.660 0.030 2 303 34 34 ILE HG2 H 0.536 0.030 1 304 34 34 ILE C C 177.077 0.300 1 305 34 34 ILE CA C 63.051 0.300 1 306 34 34 ILE CB C 37.763 0.300 1 307 34 34 ILE CD1 C 14.471 0.300 1 308 34 34 ILE CG1 C 26.566 0.300 1 309 34 34 ILE CG2 C 16.479 0.300 1 310 34 34 ILE N N 115.293 0.300 1 311 35 35 HIS H H 7.345 0.030 1 312 35 35 HIS HA H 4.852 0.030 1 313 35 35 HIS HB2 H 3.276 0.030 2 314 35 35 HIS HB3 H 3.097 0.030 2 315 35 35 HIS HD2 H 6.717 0.030 1 316 35 35 HIS HE1 H 8.039 0.030 1 317 35 35 HIS C C 175.780 0.300 1 318 35 35 HIS CA C 55.234 0.300 1 319 35 35 HIS CB C 28.772 0.300 1 320 35 35 HIS CD2 C 128.070 0.300 1 321 35 35 HIS CE1 C 139.987 0.300 1 322 35 35 HIS N N 117.929 0.300 1 323 36 36 THR H H 7.767 0.030 1 324 36 36 THR HA H 4.336 0.030 1 325 36 36 THR HB H 4.321 0.030 1 326 36 36 THR HG2 H 1.221 0.030 1 327 36 36 THR C C 175.469 0.300 1 328 36 36 THR CA C 62.428 0.300 1 329 36 36 THR CB C 69.820 0.300 1 330 36 36 THR CG2 C 21.434 0.300 1 331 36 36 THR N N 111.448 0.300 1 332 37 37 GLY H H 8.213 0.030 1 333 37 37 GLY HA2 H 4.025 0.030 2 334 37 37 GLY HA3 H 3.926 0.030 2 335 37 37 GLY C C 174.002 0.300 1 336 37 37 GLY CA C 45.354 0.300 1 337 37 37 GLY N N 110.746 0.300 1 338 38 38 GLU H H 8.061 0.030 1 339 38 38 GLU HA H 4.224 0.030 1 340 38 38 GLU HB2 H 1.888 0.030 2 341 38 38 GLU HB3 H 1.980 0.030 2 342 38 38 GLU HG2 H 2.197 0.030 2 343 38 38 GLU HG3 H 2.251 0.030 2 344 38 38 GLU C C 176.156 0.300 1 345 38 38 GLU CA C 56.461 0.300 1 346 38 38 GLU CB C 30.590 0.300 1 347 38 38 GLU CG C 36.323 0.300 1 348 38 38 GLU N N 120.539 0.300 1 349 39 39 LYS H H 8.381 0.030 1 350 39 39 LYS HA H 4.599 0.030 1 351 39 39 LYS HB2 H 1.714 0.030 2 352 39 39 LYS HB3 H 1.803 0.030 2 353 39 39 LYS HD2 H 1.679 0.030 1 354 39 39 LYS HD3 H 1.679 0.030 1 355 39 39 LYS HE2 H 2.985 0.030 1 356 39 39 LYS HE3 H 2.985 0.030 1 357 39 39 LYS HG2 H 1.458 0.030 1 358 39 39 LYS HG3 H 1.458 0.030 1 359 39 39 LYS C C 174.435 0.300 1 360 39 39 LYS CA C 54.148 0.300 1 361 39 39 LYS CB C 32.521 0.300 1 362 39 39 LYS CD C 29.105 0.300 1 363 39 39 LYS CE C 42.142 0.300 1 364 39 39 LYS CG C 24.479 0.300 1 365 39 39 LYS N N 123.719 0.300 1 366 40 40 PRO HA H 4.451 0.030 1 367 40 40 PRO HB2 H 2.294 0.030 2 368 40 40 PRO HB3 H 1.934 0.030 2 369 40 40 PRO HD2 H 3.802 0.030 2 370 40 40 PRO HD3 H 3.636 0.030 2 371 40 40 PRO HG2 H 2.025 0.030 2 372 40 40 PRO HG3 H 1.982 0.030 2 373 40 40 PRO CA C 63.176 0.300 1 374 40 40 PRO CB C 32.174 0.300 1 375 40 40 PRO CD C 50.670 0.300 1 376 40 40 PRO CG C 27.363 0.300 1 377 41 41 SER H H 8.441 0.030 1 378 41 41 SER HA H 4.458 0.030 1 379 41 41 SER HB2 H 3.882 0.030 1 380 41 41 SER HB3 H 3.882 0.030 1 381 41 41 SER CA C 58.339 0.300 1 382 41 41 SER CB C 63.907 0.300 1 383 41 41 SER N N 116.448 0.300 1 stop_ save_