data_10230 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 563-595) of human Zinc finger protein 224 ; _BMRB_accession_number 10230 _BMRB_flat_file_name bmr10230.str _Entry_type new _Submission_date 2008-08-19 _Accession_date 2008-08-20 _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" 218 "13C chemical shifts" 148 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-19 original author . stop_ 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 563-595) 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 563-595' $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 563-595' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSGEKPFKCEECGK RFTQNSQLHSHQRVHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLY 10 GLU 11 LYS 12 PRO 13 PHE 14 LYS 15 CYS 16 GLU 17 GLU 18 CYS 19 GLY 20 LYS 21 ARG 22 PHE 23 THR 24 GLN 25 ASN 26 SER 27 GLN 28 LEU 29 HIS 30 SER 31 HIS 32 GLN 33 ARG 34 VAL 35 HIS 36 THR 37 GLY 38 GLU 39 LYS 40 PRO 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2EN1 "Solution Structure Of The C2h2 Type Zinc Finger (Region 563- 595) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 3.85e-22 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination 'zf-C2H2, UNP residues 563-595' 15 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 563-595' 18 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 563-595' 31 HIS NE2 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 563-595' 35 HIS NE2 'ZINC ION' . . ZN stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'zf-C2H2, UNP residues 563-595' 15 CYS HG 'zf-C2H2, UNP residues 563-595' 18 CYS HG 'zf-C2H2, UNP residues 563-595' 31 HIS HE2 'zf-C2H2, UNP residues 563-595' 35 HIS HE2 stop_ 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 P061225-26 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 'structure solution' refinement 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 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 563-595' _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 9 9 GLY H H 8.233 0.030 1 2 9 9 GLY HA2 H 4.025 0.030 2 3 9 9 GLY HA3 H 3.948 0.030 2 4 9 9 GLY C C 174.022 0.300 1 5 9 9 GLY CA C 45.367 0.300 1 6 9 9 GLY N N 110.543 0.300 1 7 10 10 GLU H H 8.175 0.030 1 8 10 10 GLU HA H 4.187 0.030 1 9 10 10 GLU HB2 H 1.954 0.030 2 10 10 10 GLU HB3 H 1.885 0.030 2 11 10 10 GLU HG2 H 2.216 0.030 2 12 10 10 GLU HG3 H 2.177 0.030 2 13 10 10 GLU C C 176.220 0.300 1 14 10 10 GLU CA C 56.730 0.300 1 15 10 10 GLU CB C 30.395 0.300 1 16 10 10 GLU CG C 36.269 0.300 1 17 10 10 GLU N N 120.194 0.300 1 18 11 11 LYS H H 8.391 0.030 1 19 11 11 LYS HA H 4.528 0.030 1 20 11 11 LYS HB2 H 1.600 0.030 2 21 11 11 LYS HB3 H 1.389 0.030 2 22 11 11 LYS HD2 H 1.430 0.030 1 23 11 11 LYS HD3 H 1.430 0.030 1 24 11 11 LYS HE2 H 2.876 0.030 1 25 11 11 LYS HE3 H 2.876 0.030 1 26 11 11 LYS HG2 H 1.337 0.030 2 27 11 11 LYS HG3 H 1.193 0.030 2 28 11 11 LYS C C 174.468 0.300 1 29 11 11 LYS CA C 54.112 0.300 1 30 11 11 LYS CB C 33.635 0.300 1 31 11 11 LYS CD C 29.843 0.300 1 32 11 11 LYS CE C 42.367 0.300 1 33 11 11 LYS CG C 25.038 0.300 1 34 11 11 LYS N N 121.933 0.300 1 35 12 12 PRO HA H 4.229 0.030 1 36 12 12 PRO HB2 H 1.993 0.030 2 37 12 12 PRO HB3 H 1.120 0.030 2 38 12 12 PRO HD2 H 3.768 0.030 2 39 12 12 PRO HD3 H 3.712 0.030 2 40 12 12 PRO HG2 H 1.792 0.030 2 41 12 12 PRO HG3 H 1.615 0.030 2 42 12 12 PRO C C 176.420 0.300 1 43 12 12 PRO CA C 63.948 0.300 1 44 12 12 PRO CB C 32.366 0.300 1 45 12 12 PRO CD C 50.640 0.300 1 46 12 12 PRO CG C 26.692 0.300 1 47 13 13 PHE H H 7.694 0.030 1 48 13 13 PHE HA H 4.700 0.030 1 49 13 13 PHE HB2 H 3.046 0.030 2 50 13 13 PHE HB3 H 2.853 0.030 2 51 13 13 PHE HD1 H 7.112 0.030 1 52 13 13 PHE HD2 H 7.112 0.030 1 53 13 13 PHE HE1 H 7.430 0.030 1 54 13 13 PHE HE2 H 7.430 0.030 1 55 13 13 PHE HZ H 7.396 0.030 1 56 13 13 PHE C C 174.071 0.300 1 57 13 13 PHE CA C 57.784 0.300 1 58 13 13 PHE CB C 39.605 0.300 1 59 13 13 PHE CD1 C 131.834 0.300 1 60 13 13 PHE CD2 C 131.834 0.300 1 61 13 13 PHE CE1 C 131.711 0.300 1 62 13 13 PHE CE2 C 131.711 0.300 1 63 13 13 PHE CZ C 130.199 0.300 1 64 13 13 PHE N N 117.427 0.300 1 65 14 14 LYS H H 8.784 0.030 1 66 14 14 LYS HA H 4.976 0.030 1 67 14 14 LYS HB2 H 1.740 0.030 2 68 14 14 LYS HB3 H 1.453 0.030 2 69 14 14 LYS HD2 H 1.602 0.030 2 70 14 14 LYS HD3 H 1.522 0.030 2 71 14 14 LYS HE2 H 2.874 0.030 1 72 14 14 LYS HE3 H 2.874 0.030 1 73 14 14 LYS HG2 H 0.985 0.030 2 74 14 14 LYS HG3 H 1.127 0.030 2 75 14 14 LYS C C 174.467 0.300 1 76 14 14 LYS CA C 54.862 0.300 1 77 14 14 LYS CB C 36.253 0.300 1 78 14 14 LYS CD C 29.661 0.300 1 79 14 14 LYS CE C 42.052 0.300 1 80 14 14 LYS CG C 24.332 0.300 1 81 14 14 LYS N N 125.268 0.300 1 82 15 15 CYS H H 9.301 0.030 1 83 15 15 CYS HA H 4.615 0.030 1 84 15 15 CYS HB2 H 3.408 0.030 2 85 15 15 CYS HB3 H 2.856 0.030 2 86 15 15 CYS C C 177.056 0.300 1 87 15 15 CYS CA C 59.312 0.300 1 88 15 15 CYS CB C 29.488 0.300 1 89 15 15 CYS N N 128.099 0.300 1 90 16 16 GLU H H 9.566 0.030 1 91 16 16 GLU HA H 4.132 0.030 1 92 16 16 GLU HB2 H 2.181 0.030 2 93 16 16 GLU HB3 H 2.029 0.030 2 94 16 16 GLU HG2 H 2.462 0.030 2 95 16 16 GLU HG3 H 2.367 0.030 2 96 16 16 GLU C C 177.004 0.300 1 97 16 16 GLU CA C 58.483 0.300 1 98 16 16 GLU CB C 29.405 0.300 1 99 16 16 GLU CG C 35.971 0.300 1 100 16 16 GLU N N 132.079 0.300 1 101 17 17 GLU H H 8.515 0.030 1 102 17 17 GLU HA H 4.166 0.030 1 103 17 17 GLU HB2 H 1.450 0.030 2 104 17 17 GLU HB3 H 1.313 0.030 2 105 17 17 GLU HG2 H 1.715 0.030 2 106 17 17 GLU HG3 H 1.871 0.030 2 107 17 17 GLU C C 177.263 0.300 1 108 17 17 GLU CA C 58.536 0.300 1 109 17 17 GLU CB C 29.369 0.300 1 110 17 17 GLU CG C 35.504 0.300 1 111 17 17 GLU N N 119.982 0.300 1 112 18 18 CYS H H 7.938 0.030 1 113 18 18 CYS HA H 5.196 0.030 1 114 18 18 CYS HB2 H 3.448 0.030 2 115 18 18 CYS HB3 H 2.858 0.030 2 116 18 18 CYS C C 176.278 0.300 1 117 18 18 CYS CA C 58.263 0.300 1 118 18 18 CYS CB C 32.587 0.300 1 119 18 18 CYS N N 114.272 0.300 1 120 19 19 GLY H H 8.314 0.030 1 121 19 19 GLY HA2 H 4.268 0.030 2 122 19 19 GLY HA3 H 3.673 0.030 2 123 19 19 GLY C C 173.616 0.300 1 124 19 19 GLY CA C 46.257 0.300 1 125 19 19 GLY N N 114.021 0.300 1 126 20 20 LYS H H 7.978 0.030 1 127 20 20 LYS HA H 3.931 0.030 1 128 20 20 LYS HB2 H 1.382 0.030 2 129 20 20 LYS HB3 H 1.200 0.030 2 130 20 20 LYS HD2 H 1.479 0.030 2 131 20 20 LYS HD3 H 1.433 0.030 2 132 20 20 LYS HE2 H 2.980 0.030 2 133 20 20 LYS HE3 H 2.931 0.030 2 134 20 20 LYS HG2 H 1.448 0.030 2 135 20 20 LYS HG3 H 1.066 0.030 2 136 20 20 LYS C C 174.188 0.300 1 137 20 20 LYS CA C 58.366 0.300 1 138 20 20 LYS CB C 33.708 0.300 1 139 20 20 LYS CD C 29.528 0.300 1 140 20 20 LYS CE C 42.181 0.300 1 141 20 20 LYS CG C 26.489 0.300 1 142 20 20 LYS N N 122.893 0.300 1 143 21 21 ARG H H 7.701 0.030 1 144 21 21 ARG HA H 5.225 0.030 1 145 21 21 ARG HB2 H 1.817 0.030 2 146 21 21 ARG HB3 H 1.379 0.030 2 147 21 21 ARG HD2 H 3.203 0.030 1 148 21 21 ARG HD3 H 3.203 0.030 1 149 21 21 ARG HG2 H 1.258 0.030 2 150 21 21 ARG HG3 H 1.724 0.030 2 151 21 21 ARG C C 175.407 0.300 1 152 21 21 ARG CA C 54.329 0.300 1 153 21 21 ARG CB C 33.812 0.300 1 154 21 21 ARG CD C 43.326 0.300 1 155 21 21 ARG CG C 28.363 0.300 1 156 21 21 ARG N N 118.953 0.300 1 157 22 22 PHE H H 8.809 0.030 1 158 22 22 PHE HA H 4.843 0.030 1 159 22 22 PHE HB2 H 3.544 0.030 2 160 22 22 PHE HB3 H 2.548 0.030 2 161 22 22 PHE HD1 H 7.119 0.030 1 162 22 22 PHE HD2 H 7.119 0.030 1 163 22 22 PHE HE1 H 6.862 0.030 1 164 22 22 PHE HE2 H 6.862 0.030 1 165 22 22 PHE HZ H 6.123 0.030 1 166 22 22 PHE C C 175.443 0.300 1 167 22 22 PHE CA C 57.033 0.300 1 168 22 22 PHE CB C 43.947 0.300 1 169 22 22 PHE CD1 C 132.369 0.300 1 170 22 22 PHE CD2 C 132.369 0.300 1 171 22 22 PHE CE1 C 130.707 0.300 1 172 22 22 PHE CE2 C 130.707 0.300 1 173 22 22 PHE CZ C 128.720 0.300 1 174 22 22 PHE N N 116.286 0.300 1 175 23 23 THR H H 8.980 0.030 1 176 23 23 THR HA H 4.463 0.030 1 177 23 23 THR HB H 4.467 0.030 1 178 23 23 THR HG2 H 1.453 0.030 1 179 23 23 THR C C 174.420 0.300 1 180 23 23 THR CA C 64.989 0.300 1 181 23 23 THR CB C 69.648 0.300 1 182 23 23 THR CG2 C 22.815 0.300 1 183 23 23 THR N N 114.709 0.300 1 184 24 24 GLN H H 7.526 0.030 1 185 24 24 GLN HA H 4.809 0.030 1 186 24 24 GLN HB2 H 2.230 0.030 2 187 24 24 GLN HB3 H 1.658 0.030 2 188 24 24 GLN HE21 H 7.126 0.030 2 189 24 24 GLN HE22 H 6.691 0.030 2 190 24 24 GLN HG2 H 2.396 0.030 1 191 24 24 GLN HG3 H 2.396 0.030 1 192 24 24 GLN C C 176.247 0.300 1 193 24 24 GLN CA C 53.833 0.300 1 194 24 24 GLN CB C 32.628 0.300 1 195 24 24 GLN CG C 33.391 0.300 1 196 24 24 GLN N N 115.299 0.300 1 197 24 24 GLN NE2 N 111.005 0.300 1 198 25 25 ASN HA H 3.359 0.030 1 199 25 25 ASN HB2 H 2.251 0.030 2 200 25 25 ASN HB3 H 1.951 0.030 2 201 25 25 ASN HD21 H 7.410 0.030 2 202 25 25 ASN HD22 H 6.877 0.030 2 203 25 25 ASN CA C 55.668 0.300 1 204 25 25 ASN CB C 37.930 0.300 1 205 25 25 ASN N N 119.000 0.300 1 206 25 25 ASN ND2 N 111.529 0.300 1 207 26 26 SER HA H 4.003 0.030 1 208 26 26 SER HB2 H 3.840 0.030 1 209 26 26 SER HB3 H 3.840 0.030 1 210 26 26 SER C C 177.207 0.300 1 211 26 26 SER CA C 60.851 0.300 1 212 26 26 SER CB C 61.368 0.300 1 213 26 26 SER N N 118.833 0.300 1 214 27 27 GLN H H 6.685 0.030 1 215 27 27 GLN HA H 4.060 0.030 1 216 27 27 GLN HB2 H 2.080 0.030 2 217 27 27 GLN HB3 H 2.399 0.030 2 218 27 27 GLN HE21 H 7.627 0.030 2 219 27 27 GLN HE22 H 6.966 0.030 2 220 27 27 GLN HG2 H 2.511 0.030 2 221 27 27 GLN HG3 H 2.368 0.030 2 222 27 27 GLN C C 178.447 0.300 1 223 27 27 GLN CA C 57.550 0.300 1 224 27 27 GLN CB C 28.617 0.300 1 225 27 27 GLN CG C 34.009 0.300 1 226 27 27 GLN N N 121.169 0.300 1 227 27 27 GLN NE2 N 111.671 0.300 1 228 28 28 LEU H H 6.836 0.030 1 229 28 28 LEU HA H 3.150 0.030 1 230 28 28 LEU HB2 H 1.983 0.030 2 231 28 28 LEU HB3 H 1.117 0.030 2 232 28 28 LEU HD1 H 1.064 0.030 1 233 28 28 LEU HD2 H 1.013 0.030 1 234 28 28 LEU HG H 1.475 0.030 1 235 28 28 LEU C C 177.696 0.300 1 236 28 28 LEU CA C 57.849 0.300 1 237 28 28 LEU CB C 40.265 0.300 1 238 28 28 LEU CD1 C 26.220 0.300 2 239 28 28 LEU CD2 C 23.148 0.300 2 240 28 28 LEU CG C 27.559 0.300 1 241 28 28 LEU N N 121.952 0.300 1 242 29 29 HIS H H 8.184 0.030 1 243 29 29 HIS HA H 4.354 0.030 1 244 29 29 HIS HB2 H 3.047 0.030 1 245 29 29 HIS HB3 H 3.047 0.030 1 246 29 29 HIS HD2 H 6.907 0.030 1 247 29 29 HIS HE1 H 7.747 0.030 1 248 29 29 HIS C C 178.575 0.300 1 249 29 29 HIS CA C 59.335 0.300 1 250 29 29 HIS CB C 30.003 0.300 1 251 29 29 HIS CD2 C 119.226 0.300 1 252 29 29 HIS CE1 C 138.205 0.300 1 253 29 29 HIS N N 118.076 0.300 1 254 30 30 SER H H 7.774 0.030 1 255 30 30 SER HA H 4.114 0.030 1 256 30 30 SER HB2 H 3.882 0.030 1 257 30 30 SER HB3 H 3.882 0.030 1 258 30 30 SER C C 176.995 0.300 1 259 30 30 SER CA C 61.403 0.300 1 260 30 30 SER CB C 62.700 0.300 1 261 30 30 SER N N 113.416 0.300 1 262 31 31 HIS H H 7.674 0.030 1 263 31 31 HIS HA H 4.244 0.030 1 264 31 31 HIS HB2 H 3.144 0.030 2 265 31 31 HIS HB3 H 2.916 0.030 2 266 31 31 HIS HD2 H 6.962 0.030 1 267 31 31 HIS HE1 H 8.029 0.030 1 268 31 31 HIS C C 175.921 0.300 1 269 31 31 HIS CA C 58.808 0.300 1 270 31 31 HIS CB C 28.456 0.300 1 271 31 31 HIS CD2 C 127.250 0.300 1 272 31 31 HIS CE1 C 139.865 0.300 1 273 31 31 HIS N N 121.035 0.300 1 274 32 32 GLN H H 8.120 0.030 1 275 32 32 GLN HA H 3.662 0.030 1 276 32 32 GLN HB2 H 2.268 0.030 2 277 32 32 GLN HB3 H 2.195 0.030 2 278 32 32 GLN HE21 H 7.533 0.030 2 279 32 32 GLN HE22 H 7.108 0.030 2 280 32 32 GLN HG2 H 2.801 0.030 1 281 32 32 GLN HG3 H 2.801 0.030 1 282 32 32 GLN C C 177.273 0.300 1 283 32 32 GLN CA C 59.264 0.300 1 284 32 32 GLN CB C 28.135 0.300 1 285 32 32 GLN CG C 35.106 0.300 1 286 32 32 GLN N N 115.343 0.300 1 287 32 32 GLN NE2 N 112.644 0.300 1 288 33 33 ARG H H 7.065 0.030 1 289 33 33 ARG HA H 4.124 0.030 1 290 33 33 ARG HB2 H 1.847 0.030 2 291 33 33 ARG HB3 H 1.790 0.030 2 292 33 33 ARG HD2 H 3.185 0.030 1 293 33 33 ARG HD3 H 3.185 0.030 1 294 33 33 ARG HG2 H 1.739 0.030 2 295 33 33 ARG HG3 H 1.649 0.030 2 296 33 33 ARG C C 178.476 0.300 1 297 33 33 ARG CA C 58.372 0.300 1 298 33 33 ARG CB C 29.919 0.300 1 299 33 33 ARG CD C 43.331 0.300 1 300 33 33 ARG CG C 27.323 0.300 1 301 33 33 ARG N N 117.435 0.300 1 302 34 34 VAL H H 7.882 0.030 1 303 34 34 VAL HA H 3.899 0.030 1 304 34 34 VAL HB H 1.888 0.030 1 305 34 34 VAL HG1 H 0.632 0.030 1 306 34 34 VAL HG2 H 0.495 0.030 1 307 34 34 VAL C C 177.238 0.300 1 308 34 34 VAL CA C 63.969 0.300 1 309 34 34 VAL CB C 31.000 0.300 1 310 34 34 VAL CG1 C 19.882 0.300 2 311 34 34 VAL CG2 C 19.642 0.300 2 312 34 34 VAL N N 116.190 0.300 1 313 35 35 HIS H H 7.203 0.030 1 314 35 35 HIS HA H 4.877 0.030 1 315 35 35 HIS HB2 H 3.365 0.030 2 316 35 35 HIS HB3 H 3.196 0.030 2 317 35 35 HIS HD2 H 6.731 0.030 1 318 35 35 HIS HE1 H 8.038 0.030 1 319 35 35 HIS C C 175.781 0.300 1 320 35 35 HIS CA C 55.155 0.300 1 321 35 35 HIS CB C 28.648 0.300 1 322 35 35 HIS CD2 C 127.568 0.300 1 323 35 35 HIS CE1 C 139.865 0.300 1 324 35 35 HIS N N 117.199 0.300 1 325 36 36 THR H H 7.779 0.030 1 326 36 36 THR HA H 4.353 0.030 1 327 36 36 THR HB H 4.314 0.030 1 328 36 36 THR HG2 H 1.231 0.030 1 329 36 36 THR C C 175.511 0.300 1 330 36 36 THR CA C 62.495 0.300 1 331 36 36 THR CB C 69.840 0.300 1 332 36 36 THR CG2 C 21.573 0.300 1 333 36 36 THR N N 111.736 0.300 1 334 37 37 GLY H H 8.231 0.030 1 335 37 37 GLY HA2 H 4.026 0.030 2 336 37 37 GLY HA3 H 3.951 0.030 2 337 37 37 GLY C C 174.029 0.300 1 338 37 37 GLY CA C 45.277 0.300 1 339 37 37 GLY N N 110.634 0.300 1 340 38 38 GLU H H 8.089 0.030 1 341 38 38 GLU HA H 4.246 0.030 1 342 38 38 GLU HB2 H 1.988 0.030 2 343 38 38 GLU HB3 H 1.898 0.030 2 344 38 38 GLU HG2 H 2.270 0.030 2 345 38 38 GLU HG3 H 2.219 0.030 2 346 38 38 GLU C C 176.458 0.300 1 347 38 38 GLU CA C 56.489 0.300 1 348 38 38 GLU CB C 30.515 0.300 1 349 38 38 GLU CG C 36.266 0.300 1 350 38 38 GLU N N 120.563 0.300 1 351 39 39 LYS H H 8.395 0.030 1 352 39 39 LYS HA H 4.604 0.030 1 353 39 39 LYS HB2 H 1.816 0.030 2 354 39 39 LYS HB3 H 1.725 0.030 2 355 39 39 LYS HD2 H 1.683 0.030 1 356 39 39 LYS HD3 H 1.683 0.030 1 357 39 39 LYS HE2 H 2.996 0.030 1 358 39 39 LYS HE3 H 2.996 0.030 1 359 39 39 LYS HG2 H 1.466 0.030 1 360 39 39 LYS HG3 H 1.466 0.030 1 361 39 39 LYS C C 174.345 0.300 1 362 39 39 LYS CA C 54.144 0.300 1 363 39 39 LYS CB C 32.504 0.300 1 364 39 39 LYS CD C 29.134 0.300 1 365 39 39 LYS CE C 42.194 0.300 1 366 39 39 LYS CG C 24.566 0.300 1 367 39 39 LYS N N 123.827 0.300 1 368 40 40 PRO HA H 4.456 0.030 1 369 40 40 PRO HB2 H 2.305 0.030 2 370 40 40 PRO HB3 H 1.936 0.030 2 371 40 40 PRO HD2 H 3.819 0.030 2 372 40 40 PRO HD3 H 3.644 0.030 2 373 40 40 PRO HG2 H 2.028 0.030 2 374 40 40 PRO HG3 H 2.001 0.030 2 375 40 40 PRO CA C 63.186 0.300 1 376 40 40 PRO CB C 32.177 0.300 1 377 40 40 PRO CD C 50.661 0.300 1 378 40 40 PRO CG C 27.323 0.300 1 379 41 41 SER H H 8.483 0.030 1 380 41 41 SER HA H 4.453 0.030 1 381 41 41 SER HB2 H 3.869 0.030 1 382 41 41 SER HB3 H 3.869 0.030 1 383 41 41 SER CA C 58.591 0.300 1 384 41 41 SER CB C 63.944 0.300 1 385 41 41 SER N N 116.550 0.300 1 386 42 42 GLY H H 8.230 0.030 1 387 42 42 GLY HA2 H 4.159 0.030 2 388 42 42 GLY HA3 H 4.111 0.030 2 389 42 42 GLY CA C 44.656 0.300 1 390 42 42 GLY N N 110.653 0.300 1 391 43 43 PRO HA H 4.466 0.030 1 392 43 43 PRO HB2 H 2.302 0.030 2 393 43 43 PRO HB3 H 1.941 0.030 2 394 43 43 PRO HD2 H 3.626 0.030 1 395 43 43 PRO HD3 H 3.626 0.030 1 396 43 43 PRO HG2 H 2.016 0.030 1 397 43 43 PRO HG3 H 2.016 0.030 1 398 43 43 PRO CA C 63.318 0.300 1 399 43 43 PRO CB C 32.206 0.300 1 400 43 43 PRO CD C 49.796 0.300 1 401 43 43 PRO CG C 27.244 0.300 1 402 44 44 SER H H 8.485 0.030 1 403 44 44 SER N N 116.542 0.300 1 stop_ save_