data_10192 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 283-315) of human Zinc finger protein 224 ; _BMRB_accession_number 10192 _BMRB_flat_file_name bmr10192.str _Entry_type original _Submission_date 2008-02-19 _Accession_date 2008-02-19 _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 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 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" 213 "13C chemical shifts" 153 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-27 original author . stop_ _Original_release_date 2009-02-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 type zinc finger (region 283-315) of human Zinc finger protein 224 ; _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 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 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 224' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2, UNP residues 283-315' $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 'zf-C2H2, UNP residues 283-315' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPFKCDICGK SFCGRSRLNRHSMVHTAEKP 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 LYS 15 CYS 16 ASP 17 ILE 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 CYS 24 GLY 25 ARG 26 SER 27 ARG 28 LEU 29 ASN 30 ARG 31 HIS 32 SER 33 MET 34 VAL 35 HIS 36 THR 37 ALA 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 2EOQ "Solution Structure Of The C2h2 Type Zinc Finger (Region 283- 315) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 5.41e-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 . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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' . . . . plasmid P061225-21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, 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_ _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 'zf-C2H2, UNP residues 283-315' _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 CA C 45.476 0.300 1 2 7 7 GLY HA2 H 4.020 0.030 1 3 7 7 GLY HA3 H 4.020 0.030 1 4 7 7 GLY C C 174.552 0.300 1 5 8 8 THR N N 112.807 0.300 1 6 8 8 THR H H 8.124 0.030 1 7 8 8 THR CA C 61.837 0.300 1 8 8 8 THR HA H 4.310 0.030 1 9 8 8 THR CB C 69.739 0.300 1 10 8 8 THR HB H 4.251 0.030 1 11 8 8 THR CG2 C 21.513 0.300 1 12 8 8 THR HG2 H 1.141 0.030 1 13 8 8 THR C C 175.300 0.300 1 14 9 9 GLY N N 111.107 0.300 1 15 9 9 GLY H H 8.427 0.030 1 16 9 9 GLY CA C 45.215 0.300 1 17 9 9 GLY HA2 H 3.908 0.030 1 18 9 9 GLY HA3 H 3.908 0.030 1 19 9 9 GLY C C 174.012 0.300 1 20 10 10 GLU N N 120.447 0.300 1 21 10 10 GLU H H 8.157 0.030 1 22 10 10 GLU CA C 56.427 0.300 1 23 10 10 GLU HA H 4.192 0.030 1 24 10 10 GLU CB C 30.579 0.300 1 25 10 10 GLU HB2 H 1.933 0.030 2 26 10 10 GLU HB3 H 1.823 0.030 2 27 10 10 GLU CG C 36.272 0.300 1 28 10 10 GLU HG2 H 2.213 0.030 2 29 10 10 GLU HG3 H 2.165 0.030 2 30 10 10 GLU C C 176.190 0.300 1 31 11 11 LYS N N 123.159 0.300 1 32 11 11 LYS H H 8.316 0.030 1 33 11 11 LYS CA C 54.101 0.300 1 34 11 11 LYS HA H 4.442 0.030 1 35 11 11 LYS CB C 32.610 0.300 1 36 11 11 LYS HB2 H 1.530 0.030 1 37 11 11 LYS HB3 H 1.530 0.030 1 38 11 11 LYS CG C 24.771 0.300 1 39 11 11 LYS HG2 H 1.311 0.030 2 40 11 11 LYS HG3 H 1.232 0.030 2 41 11 11 LYS CD C 29.292 0.300 1 42 11 11 LYS HD2 H 1.526 0.030 1 43 11 11 LYS HD3 H 1.526 0.030 1 44 11 11 LYS CE C 42.003 0.300 1 45 11 11 LYS HE2 H 2.866 0.030 1 46 11 11 LYS HE3 H 2.866 0.030 1 47 11 11 LYS C C 174.187 0.300 1 48 12 12 PRO CA C 63.210 0.300 1 49 12 12 PRO HA H 4.407 0.030 1 50 12 12 PRO CB C 32.232 0.300 1 51 12 12 PRO HB2 H 1.421 0.030 2 52 12 12 PRO HB3 H 1.993 0.030 2 53 12 12 PRO CG C 27.070 0.300 1 54 12 12 PRO HG2 H 1.818 0.030 2 55 12 12 PRO HG3 H 1.749 0.030 2 56 12 12 PRO CD C 50.402 0.300 1 57 12 12 PRO HD2 H 3.646 0.030 2 58 12 12 PRO HD3 H 3.517 0.030 2 59 12 12 PRO C C 176.447 0.300 1 60 13 13 PHE N N 119.708 0.300 1 61 13 13 PHE H H 8.425 0.030 1 62 13 13 PHE CA C 57.386 0.300 1 63 13 13 PHE HA H 4.561 0.030 1 64 13 13 PHE CB C 40.677 0.300 1 65 13 13 PHE HB2 H 2.943 0.030 2 66 13 13 PHE HB3 H 2.802 0.030 2 67 13 13 PHE CD1 C 131.553 0.300 1 68 13 13 PHE HD1 H 7.135 0.030 1 69 13 13 PHE CD2 C 131.553 0.300 1 70 13 13 PHE HD2 H 7.135 0.030 1 71 13 13 PHE CE1 C 131.504 0.300 1 72 13 13 PHE HE1 H 7.347 0.030 1 73 13 13 PHE CE2 C 131.504 0.300 1 74 13 13 PHE HE2 H 7.347 0.030 1 75 13 13 PHE CZ C 129.945 0.300 1 76 13 13 PHE HZ H 7.321 0.030 1 77 13 13 PHE C C 174.289 0.300 1 78 14 14 LYS N N 124.280 0.300 1 79 14 14 LYS H H 8.599 0.030 1 80 14 14 LYS CA C 55.128 0.300 1 81 14 14 LYS HA H 4.876 0.030 1 82 14 14 LYS CB C 35.217 0.300 1 83 14 14 LYS HB2 H 1.580 0.030 2 84 14 14 LYS HB3 H 1.503 0.030 2 85 14 14 LYS CG C 24.546 0.300 1 86 14 14 LYS HG2 H 1.094 0.030 1 87 14 14 LYS HG3 H 1.094 0.030 1 88 14 14 LYS CD C 29.330 0.300 1 89 14 14 LYS HD2 H 1.512 0.030 1 90 14 14 LYS HD3 H 1.512 0.030 1 91 14 14 LYS CE C 41.875 0.300 1 92 14 14 LYS HE2 H 2.868 0.030 1 93 14 14 LYS HE3 H 2.868 0.030 1 94 14 14 LYS C C 175.445 0.300 1 95 15 15 CYS N N 126.829 0.300 1 96 15 15 CYS H H 9.153 0.030 1 97 15 15 CYS CA C 59.229 0.300 1 98 15 15 CYS HA H 4.498 0.030 1 99 15 15 CYS CB C 29.719 0.300 1 100 15 15 CYS HB2 H 2.816 0.030 2 101 15 15 CYS HB3 H 3.344 0.030 2 102 15 15 CYS C C 176.812 0.300 1 103 16 16 ASP N N 131.329 0.300 1 104 16 16 ASP H H 9.242 0.030 1 105 16 16 ASP CA C 56.451 0.300 1 106 16 16 ASP HA H 4.402 0.030 1 107 16 16 ASP CB C 40.727 0.300 1 108 16 16 ASP HB2 H 2.696 0.030 2 109 16 16 ASP HB3 H 2.633 0.030 2 110 16 16 ASP C C 176.032 0.300 1 111 17 17 ILE N N 121.275 0.300 1 112 17 17 ILE H H 8.635 0.030 1 113 17 17 ILE CA C 63.212 0.300 1 114 17 17 ILE HA H 3.821 0.030 1 115 17 17 ILE CB C 38.137 0.300 1 116 17 17 ILE HB H 1.033 0.030 1 117 17 17 ILE CG1 C 27.850 0.300 1 118 17 17 ILE HG12 H 1.035 0.030 2 119 17 17 ILE HG13 H 1.318 0.030 2 120 17 17 ILE CG2 C 16.303 0.300 1 121 17 17 ILE HG2 H 0.237 0.030 1 122 17 17 ILE CD1 C 11.836 0.300 1 123 17 17 ILE HD1 H 0.608 0.030 1 124 17 17 ILE C C 177.086 0.300 1 125 18 18 CYS N N 115.895 0.300 1 126 18 18 CYS H H 8.067 0.030 1 127 18 18 CYS CA C 58.167 0.300 1 128 18 18 CYS HA H 5.107 0.030 1 129 18 18 CYS CB C 32.381 0.300 1 130 18 18 CYS HB2 H 2.847 0.030 2 131 18 18 CYS HB3 H 3.424 0.030 2 132 18 18 CYS C C 176.599 0.300 1 133 19 19 GLY N N 113.203 0.300 1 134 19 19 GLY H H 8.004 0.030 1 135 19 19 GLY CA C 46.439 0.300 1 136 19 19 GLY HA2 H 3.769 0.030 2 137 19 19 GLY HA3 H 4.167 0.030 2 138 19 19 GLY C C 173.734 0.300 1 139 20 20 LYS N N 122.356 0.300 1 140 20 20 LYS H H 7.822 0.030 1 141 20 20 LYS CA C 57.737 0.300 1 142 20 20 LYS HA H 4.045 0.030 1 143 20 20 LYS CB C 33.982 0.300 1 144 20 20 LYS HB2 H 1.381 0.030 2 145 20 20 LYS HB3 H 1.318 0.030 2 146 20 20 LYS CG C 29.334 0.300 1 147 20 20 LYS HG2 H 1.532 0.030 1 148 20 20 LYS HG3 H 1.532 0.030 1 149 20 20 LYS CD C 26.448 0.300 1 150 20 20 LYS HD2 H 1.529 0.030 2 151 20 20 LYS HD3 H 1.188 0.030 2 152 20 20 LYS CE C 42.321 0.300 1 153 20 20 LYS HE2 H 2.954 0.030 1 154 20 20 LYS HE3 H 2.954 0.030 1 155 20 20 LYS C C 174.356 0.300 1 156 21 21 SER N N 114.802 0.300 1 157 21 21 SER H H 7.870 0.030 1 158 21 21 SER CA C 57.281 0.300 1 159 21 21 SER HA H 5.187 0.030 1 160 21 21 SER CB C 65.661 0.300 1 161 21 21 SER HB2 H 3.489 0.030 1 162 21 21 SER HB3 H 3.489 0.030 1 163 21 21 SER C C 173.041 0.300 1 164 22 22 PHE N N 118.519 0.300 1 165 22 22 PHE H H 8.795 0.030 1 166 22 22 PHE CA C 58.014 0.300 1 167 22 22 PHE HA H 3.364 0.030 1 168 22 22 PHE CB C 44.178 0.300 1 169 22 22 PHE HB2 H 2.548 0.030 2 170 22 22 PHE HB3 H 3.031 0.030 2 171 22 22 PHE CD1 C 131.891 0.300 1 172 22 22 PHE HD1 H 7.077 0.030 1 173 22 22 PHE CD2 C 131.891 0.300 1 174 22 22 PHE HD2 H 7.077 0.030 1 175 22 22 PHE CE1 C 130.750 0.300 1 176 22 22 PHE HE1 H 6.701 0.030 1 177 22 22 PHE CE2 C 130.750 0.300 1 178 22 22 PHE HE2 H 6.701 0.030 1 179 22 22 PHE CZ C 128.723 0.300 1 180 22 22 PHE HZ H 6.133 0.030 1 181 22 22 PHE C C 175.163 0.300 1 182 23 23 CYS CA C 59.537 0.300 1 183 23 23 CYS HA H 4.584 0.030 1 184 23 23 CYS CB C 27.668 0.300 1 185 23 23 CYS HB2 H 3.001 0.030 2 186 23 23 CYS HB3 H 2.946 0.030 2 187 23 23 CYS C C 174.498 0.300 1 188 24 24 GLY N N 110.238 0.300 1 189 24 24 GLY H H 7.698 0.030 1 190 24 24 GLY CA C 44.739 0.300 1 191 24 24 GLY HA2 H 4.165 0.030 2 192 24 24 GLY HA3 H 3.964 0.030 2 193 24 24 GLY C C 172.746 0.300 1 194 25 25 ARG N N 123.007 0.300 1 195 25 25 ARG H H 8.249 0.030 1 196 25 25 ARG CA C 58.734 0.300 1 197 25 25 ARG HA H 3.118 0.030 1 198 25 25 ARG CB C 29.705 0.300 1 199 25 25 ARG HB2 H 1.478 0.030 2 200 25 25 ARG HB3 H 1.347 0.030 2 201 25 25 ARG CG C 26.908 0.300 1 202 25 25 ARG HG2 H 1.324 0.030 2 203 25 25 ARG HG3 H 1.259 0.030 2 204 25 25 ARG CD C 42.678 0.300 1 205 25 25 ARG HD2 H 3.044 0.030 2 206 25 25 ARG HD3 H 2.982 0.030 2 207 25 25 ARG C C 178.108 0.300 1 208 26 26 SER CA C 61.773 0.300 1 209 26 26 SER HA H 3.836 0.030 1 210 26 26 SER CB C 61.872 0.300 1 211 26 26 SER HB2 H 3.829 0.030 1 212 26 26 SER HB3 H 3.829 0.030 1 213 26 26 SER C C 177.394 0.300 1 214 27 27 ARG N N 121.358 0.300 1 215 27 27 ARG H H 7.581 0.030 1 216 27 27 ARG CA C 58.837 0.300 1 217 27 27 ARG HA H 3.924 0.030 1 218 27 27 ARG CB C 29.724 0.300 1 219 27 27 ARG HB2 H 1.820 0.030 1 220 27 27 ARG HB3 H 1.820 0.030 1 221 27 27 ARG CG C 28.630 0.300 1 222 27 27 ARG HG2 H 1.783 0.030 2 223 27 27 ARG HG3 H 1.704 0.030 2 224 27 27 ARG CD C 43.283 0.300 1 225 27 27 ARG HD2 H 3.339 0.030 1 226 27 27 ARG HD3 H 3.339 0.030 1 227 27 27 ARG C C 179.126 0.300 1 228 28 28 LEU N N 121.828 0.300 1 229 28 28 LEU H H 7.259 0.030 1 230 28 28 LEU CA C 57.978 0.300 1 231 28 28 LEU HA H 3.366 0.030 1 232 28 28 LEU CB C 40.695 0.300 1 233 28 28 LEU HB2 H 1.271 0.030 2 234 28 28 LEU HB3 H 1.829 0.030 2 235 28 28 LEU CG C 27.257 0.300 1 236 28 28 LEU HG H 1.571 0.030 1 237 28 28 LEU CD1 C 22.499 0.300 2 238 28 28 LEU HD1 H 0.903 0.030 1 239 28 28 LEU CD2 C 26.381 0.300 2 240 28 28 LEU HD2 H 0.920 0.030 1 241 28 28 LEU C C 177.702 0.300 1 242 29 29 ASN N N 118.482 0.300 1 243 29 29 ASN H H 8.579 0.030 1 244 29 29 ASN CA C 56.000 0.300 1 245 29 29 ASN HA H 4.264 0.030 1 246 29 29 ASN CB C 37.394 0.300 1 247 29 29 ASN HB2 H 2.781 0.030 2 248 29 29 ASN HB3 H 2.741 0.030 2 249 29 29 ASN ND2 N 110.559 0.300 1 250 29 29 ASN HD21 H 7.550 0.030 2 251 29 29 ASN HD22 H 6.717 0.030 2 252 29 29 ASN C C 178.386 0.300 1 253 30 30 ARG N N 119.681 0.300 1 254 30 30 ARG H H 7.752 0.030 1 255 30 30 ARG CA C 58.915 0.300 1 256 30 30 ARG HA H 4.000 0.030 1 257 30 30 ARG CB C 29.883 0.300 1 258 30 30 ARG HB2 H 1.773 0.030 1 259 30 30 ARG HB3 H 1.773 0.030 1 260 30 30 ARG CG C 27.199 0.300 1 261 30 30 ARG HG2 H 1.662 0.030 2 262 30 30 ARG HG3 H 1.578 0.030 2 263 30 30 ARG CD C 43.141 0.300 1 264 30 30 ARG HD2 H 3.137 0.030 1 265 30 30 ARG HD3 H 3.137 0.030 1 266 30 30 ARG C C 178.773 0.300 1 267 31 31 HIS N N 119.307 0.300 1 268 31 31 HIS H H 7.577 0.030 1 269 31 31 HIS CA C 58.939 0.300 1 270 31 31 HIS HA H 4.111 0.030 1 271 31 31 HIS CB C 27.639 0.300 1 272 31 31 HIS HB2 H 2.474 0.030 2 273 31 31 HIS HB3 H 2.942 0.030 2 274 31 31 HIS CD2 C 126.950 0.300 1 275 31 31 HIS HD2 H 6.718 0.030 1 276 31 31 HIS CE1 C 139.467 0.300 1 277 31 31 HIS HE1 H 7.980 0.030 1 278 31 31 HIS C C 176.358 0.300 1 279 32 32 SER N N 113.043 0.300 1 280 32 32 SER H H 8.442 0.030 1 281 32 32 SER CA C 62.184 0.300 1 282 32 32 SER HA H 3.814 0.030 1 283 32 32 SER CB C 63.027 0.300 1 284 32 32 SER HB2 H 4.006 0.030 2 285 32 32 SER HB3 H 3.964 0.030 2 286 32 32 SER C C 175.520 0.300 1 287 33 33 MET N N 118.839 0.300 1 288 33 33 MET H H 7.002 0.030 1 289 33 33 MET CA C 57.473 0.300 1 290 33 33 MET HA H 4.176 0.030 1 291 33 33 MET CB C 32.277 0.300 1 292 33 33 MET HB2 H 2.055 0.030 2 293 33 33 MET HB3 H 1.970 0.030 2 294 33 33 MET CG C 31.915 0.300 1 295 33 33 MET HG2 H 2.675 0.030 2 296 33 33 MET HG3 H 2.528 0.030 2 297 33 33 MET CE C 16.833 0.300 1 298 33 33 MET HE H 2.009 0.030 1 299 33 33 MET C C 178.211 0.300 1 300 34 34 VAL N N 116.464 0.300 1 301 34 34 VAL H H 7.961 0.030 1 302 34 34 VAL CA C 63.927 0.300 1 303 34 34 VAL HA H 3.845 0.030 1 304 34 34 VAL CB C 30.987 0.300 1 305 34 34 VAL HB H 1.838 0.030 1 306 34 34 VAL CG1 C 19.769 0.300 2 307 34 34 VAL HG1 H 0.569 0.030 1 308 34 34 VAL CG2 C 19.442 0.300 2 309 34 34 VAL HG2 H 0.409 0.030 1 310 34 34 VAL C C 177.249 0.300 1 311 35 35 HIS N N 116.579 0.300 1 312 35 35 HIS H H 7.050 0.030 1 313 35 35 HIS CA C 55.032 0.300 1 314 35 35 HIS HA H 4.866 0.030 1 315 35 35 HIS CB C 28.597 0.300 1 316 35 35 HIS HB2 H 3.286 0.030 2 317 35 35 HIS HB3 H 3.168 0.030 2 318 35 35 HIS CD2 C 127.796 0.300 1 319 35 35 HIS HD2 H 6.679 0.030 1 320 35 35 HIS CE1 C 140.135 0.300 1 321 35 35 HIS HE1 H 8.038 0.030 1 322 35 35 HIS C C 175.442 0.300 1 323 36 36 THR N N 113.320 0.300 1 324 36 36 THR H H 7.617 0.030 1 325 36 36 THR CA C 62.572 0.300 1 326 36 36 THR HA H 4.228 0.030 1 327 36 36 THR CB C 69.623 0.300 1 328 36 36 THR HB H 4.203 0.030 1 329 36 36 THR CG2 C 21.600 0.300 1 330 36 36 THR HG2 H 1.164 0.030 1 331 36 36 THR C C 174.335 0.300 1 332 37 37 ALA N N 125.356 0.300 1 333 37 37 ALA H H 8.086 0.030 1 334 37 37 ALA CA C 52.577 0.300 1 335 37 37 ALA HA H 4.279 0.030 1 336 37 37 ALA CB C 19.131 0.300 1 337 37 37 ALA HB H 1.341 0.030 1 338 37 37 ALA C C 177.556 0.300 1 339 38 38 GLU N N 119.877 0.300 1 340 38 38 GLU H H 8.105 0.030 1 341 38 38 GLU CA C 56.451 0.300 1 342 38 38 GLU HA H 4.163 0.030 1 343 38 38 GLU CB C 30.357 0.300 1 344 38 38 GLU HB2 H 1.949 0.030 2 345 38 38 GLU HB3 H 1.896 0.030 2 346 38 38 GLU CG C 36.314 0.300 1 347 38 38 GLU HG2 H 2.246 0.030 2 348 38 38 GLU HG3 H 2.186 0.030 2 349 38 38 GLU C C 176.160 0.300 1 350 39 39 LYS N N 123.534 0.300 1 351 39 39 LYS H H 8.259 0.030 1 352 39 39 LYS CA C 54.110 0.300 1 353 39 39 LYS HA H 4.547 0.030 1 354 39 39 LYS CB C 32.486 0.300 1 355 39 39 LYS HB2 H 1.758 0.030 2 356 39 39 LYS HB3 H 1.672 0.030 2 357 39 39 LYS CG C 24.441 0.300 1 358 39 39 LYS HG2 H 1.401 0.030 1 359 39 39 LYS HG3 H 1.401 0.030 1 360 39 39 LYS CD C 29.134 0.300 1 361 39 39 LYS HD2 H 1.640 0.030 1 362 39 39 LYS HD3 H 1.640 0.030 1 363 39 39 LYS CE C 42.152 0.300 1 364 39 39 LYS HE2 H 2.944 0.030 1 365 39 39 LYS HE3 H 2.944 0.030 1 366 39 39 LYS C C 174.387 0.300 1 367 40 40 PRO CA C 63.170 0.300 1 368 40 40 PRO HA H 4.405 0.030 1 369 40 40 PRO CB C 32.153 0.300 1 370 40 40 PRO HB2 H 2.247 0.030 2 371 40 40 PRO HB3 H 1.881 0.030 2 372 40 40 PRO CG C 27.480 0.300 1 373 40 40 PRO HG2 H 1.958 0.030 1 374 40 40 PRO HG3 H 1.958 0.030 1 375 40 40 PRO CD C 50.643 0.300 1 376 40 40 PRO HD2 H 3.764 0.030 2 377 40 40 PRO HD3 H 3.584 0.030 2 378 41 41 SER N N 116.460 0.300 1 379 41 41 SER H H 8.499 0.030 1 380 42 42 GLY CA C 44.629 0.300 1 381 42 42 GLY HA2 H 4.100 0.030 2 382 42 42 GLY HA3 H 4.051 0.030 2 383 43 43 PRO CA C 63.255 0.300 1 384 43 43 PRO HA H 4.417 0.030 1 385 43 43 PRO CB C 32.137 0.300 1 386 43 43 PRO HB2 H 2.251 0.030 2 387 43 43 PRO HB3 H 1.880 0.030 2 388 43 43 PRO CG C 27.192 0.300 1 389 43 43 PRO HG2 H 1.957 0.030 1 390 43 43 PRO HG3 H 1.957 0.030 1 391 43 43 PRO CD C 49.761 0.300 1 392 43 43 PRO HD2 H 3.567 0.030 1 393 43 43 PRO HD3 H 3.567 0.030 1 394 44 44 SER N N 116.517 0.300 1 395 44 44 SER H H 8.453 0.030 1 396 44 44 SER CB C 61.760 0.300 1 397 44 44 SER HB2 H 3.813 0.030 1 398 44 44 SER HB3 H 3.813 0.030 1 stop_ save_