data_10224 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 859-889) of human Zinc finger protein 268 ; _BMRB_accession_number 10224 _BMRB_flat_file_name bmr10224.str _Entry_type original _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" 205 "13C chemical shifts" 152 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-19 original author . stop_ _Original_release_date 2009-08-19 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 859-889) of human Zinc finger protein 268 ; _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 268' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2 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 'zf-C2H2 domain' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSSGSSGTREKPYECSECGK AFIRNSQLIVHQRTHSGESG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 ARG 10 GLU 11 LYS 12 PRO 13 TYR 14 GLU 15 CYS 16 SER 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ILE 24 ARG 25 ASN 26 SER 27 GLN 28 LEU 29 ILE 30 VAL 31 HIS 32 GLN 33 ARG 34 THR 35 HIS 36 SER 37 GLY 38 GLU 39 SER 40 GLY 41 PRO 42 SER 43 SER 44 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 2EMV "Solution Structure Of The C2h2 Type Zinc Finger (Region 859- 889) Of Human Zinc Finger Protein 268" 100.00 44 100.00 100.00 1.40e-21 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 P061225-03 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 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 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 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 7 7 GLY HA2 H 3.984 0.030 1 2 7 7 GLY HA3 H 3.984 0.030 1 3 7 7 GLY C C 174.243 0.300 1 4 7 7 GLY CA C 45.345 0.300 1 5 8 8 THR H H 8.056 0.030 1 6 8 8 THR HA H 4.351 0.030 1 7 8 8 THR HB H 4.212 0.030 1 8 8 8 THR HG2 H 1.176 0.030 1 9 8 8 THR C C 174.506 0.300 1 10 8 8 THR CA C 61.679 0.300 1 11 8 8 THR CB C 70.039 0.300 1 12 8 8 THR CG2 C 21.596 0.300 1 13 8 8 THR N N 114.027 0.300 1 14 9 9 ARG H H 8.379 0.030 1 15 9 9 ARG HA H 4.291 0.030 1 16 9 9 ARG HB2 H 1.807 0.030 2 17 9 9 ARG HB3 H 1.719 0.030 2 18 9 9 ARG HD2 H 3.167 0.030 1 19 9 9 ARG HD3 H 3.167 0.030 1 20 9 9 ARG HG2 H 1.606 0.030 1 21 9 9 ARG HG3 H 1.606 0.030 1 22 9 9 ARG C C 176.137 0.300 1 23 9 9 ARG CA C 56.291 0.300 1 24 9 9 ARG CB C 30.735 0.300 1 25 9 9 ARG CD C 43.346 0.300 1 26 9 9 ARG CG C 27.011 0.300 1 27 9 9 ARG N N 123.323 0.300 1 28 10 10 GLU H H 8.420 0.030 1 29 10 10 GLU HA H 4.142 0.030 1 30 10 10 GLU HB2 H 2.000 0.030 2 31 10 10 GLU HB3 H 1.921 0.030 2 32 10 10 GLU HG2 H 2.279 0.030 2 33 10 10 GLU HG3 H 2.237 0.030 2 34 10 10 GLU C C 176.102 0.300 1 35 10 10 GLU CA C 57.284 0.300 1 36 10 10 GLU CB C 30.289 0.300 1 37 10 10 GLU CG C 36.222 0.300 1 38 10 10 GLU N N 121.984 0.300 1 39 11 11 LYS H H 8.035 0.030 1 40 11 11 LYS HA H 4.545 0.030 1 41 11 11 LYS HB2 H 1.595 0.030 2 42 11 11 LYS HB3 H 1.468 0.030 2 43 11 11 LYS HD2 H 1.523 0.030 1 44 11 11 LYS HD3 H 1.523 0.030 1 45 11 11 LYS HE2 H 2.908 0.030 1 46 11 11 LYS HE3 H 2.908 0.030 1 47 11 11 LYS HG2 H 1.310 0.030 2 48 11 11 LYS HG3 H 1.207 0.030 2 49 11 11 LYS C C 173.979 0.300 1 50 11 11 LYS CA C 53.589 0.300 1 51 11 11 LYS CB C 33.028 0.300 1 52 11 11 LYS CD C 29.598 0.300 1 53 11 11 LYS CE C 42.188 0.300 1 54 11 11 LYS CG C 24.773 0.300 1 55 11 11 LYS N N 120.453 0.300 1 56 12 12 PRO HA H 4.290 0.030 1 57 12 12 PRO HB2 H 1.372 0.030 2 58 12 12 PRO HB3 H 2.029 0.030 2 59 12 12 PRO HD2 H 3.678 0.030 1 60 12 12 PRO HD3 H 3.678 0.030 1 61 12 12 PRO HG2 H 1.844 0.030 2 62 12 12 PRO HG3 H 1.714 0.030 2 63 12 12 PRO C C 176.186 0.300 1 64 12 12 PRO CA C 63.385 0.300 1 65 12 12 PRO CB C 32.283 0.300 1 66 12 12 PRO CD C 50.338 0.300 1 67 12 12 PRO CG C 26.789 0.300 1 68 13 13 TYR H H 8.036 0.030 1 69 13 13 TYR HA H 4.568 0.030 1 70 13 13 TYR HB2 H 3.020 0.030 2 71 13 13 TYR HB3 H 2.861 0.030 2 72 13 13 TYR HD1 H 7.050 0.030 1 73 13 13 TYR HD2 H 7.050 0.030 1 74 13 13 TYR HE1 H 6.906 0.030 1 75 13 13 TYR HE2 H 6.906 0.030 1 76 13 13 TYR C C 174.612 0.300 1 77 13 13 TYR CA C 57.760 0.300 1 78 13 13 TYR CB C 38.387 0.300 1 79 13 13 TYR CD1 C 133.595 0.300 1 80 13 13 TYR CD2 C 133.595 0.300 1 81 13 13 TYR CE1 C 117.929 0.300 1 82 13 13 TYR CE2 C 117.929 0.300 1 83 13 13 TYR N N 118.849 0.300 1 84 14 14 GLU H H 8.552 0.030 1 85 14 14 GLU HA H 4.923 0.030 1 86 14 14 GLU HB2 H 1.812 0.030 1 87 14 14 GLU HB3 H 1.812 0.030 1 88 14 14 GLU HG2 H 1.999 0.030 2 89 14 14 GLU HG3 H 1.921 0.030 2 90 14 14 GLU C C 175.204 0.300 1 91 14 14 GLU CA C 54.910 0.300 1 92 14 14 GLU CB C 33.000 0.300 1 93 14 14 GLU CG C 36.652 0.300 1 94 14 14 GLU N N 123.988 0.300 1 95 15 15 CYS H H 9.288 0.030 1 96 15 15 CYS HA H 4.591 0.030 1 97 15 15 CYS HB2 H 2.899 0.030 2 98 15 15 CYS HB3 H 3.439 0.030 2 99 15 15 CYS C C 177.502 0.300 1 100 15 15 CYS CA C 59.594 0.300 1 101 15 15 CYS CB C 29.754 0.300 1 102 15 15 CYS N N 126.830 0.300 1 103 16 16 SER H H 9.383 0.030 1 104 16 16 SER HA H 4.287 0.030 1 105 16 16 SER HB2 H 4.053 0.030 2 106 16 16 SER HB3 H 4.006 0.030 2 107 16 16 SER C C 174.508 0.300 1 108 16 16 SER CA C 60.955 0.300 1 109 16 16 SER CB C 63.100 0.300 1 110 16 16 SER N N 128.427 0.300 1 111 17 17 GLU H H 8.727 0.030 1 112 17 17 GLU HA H 4.258 0.030 1 113 17 17 GLU HB2 H 1.415 0.030 1 114 17 17 GLU HB3 H 1.415 0.030 1 115 17 17 GLU HG2 H 1.774 0.030 2 116 17 17 GLU HG3 H 1.908 0.030 2 117 17 17 GLU C C 177.133 0.300 1 118 17 17 GLU CA C 58.110 0.300 1 119 17 17 GLU CB C 29.738 0.300 1 120 17 17 GLU CG C 35.709 0.300 1 121 17 17 GLU N N 123.127 0.300 1 122 18 18 CYS H H 7.939 0.030 1 123 18 18 CYS HA H 5.177 0.030 1 124 18 18 CYS HB2 H 2.839 0.030 2 125 18 18 CYS HB3 H 3.436 0.030 2 126 18 18 CYS C C 176.246 0.300 1 127 18 18 CYS CA C 58.259 0.300 1 128 18 18 CYS CB C 32.602 0.300 1 129 18 18 CYS N N 114.781 0.300 1 130 19 19 GLY H H 8.186 0.030 1 131 19 19 GLY HA2 H 4.233 0.030 2 132 19 19 GLY HA3 H 3.870 0.030 2 133 19 19 GLY C C 173.749 0.300 1 134 19 19 GLY CA C 46.118 0.300 1 135 19 19 GLY N N 113.365 0.300 1 136 20 20 LYS H H 8.006 0.030 1 137 20 20 LYS HA H 3.923 0.030 1 138 20 20 LYS HB2 H 1.385 0.030 2 139 20 20 LYS HB3 H 1.175 0.030 2 140 20 20 LYS HD2 H 1.480 0.030 2 141 20 20 LYS HD3 H 1.432 0.030 2 142 20 20 LYS HE2 H 2.970 0.030 2 143 20 20 LYS HE3 H 2.908 0.030 2 144 20 20 LYS HG2 H 1.396 0.030 2 145 20 20 LYS HG3 H 1.070 0.030 2 146 20 20 LYS C C 173.687 0.300 1 147 20 20 LYS CA C 58.226 0.300 1 148 20 20 LYS CB C 33.596 0.300 1 149 20 20 LYS CD C 29.337 0.300 1 150 20 20 LYS CE C 42.179 0.300 1 151 20 20 LYS CG C 26.188 0.300 1 152 20 20 LYS N N 123.138 0.300 1 153 21 21 ALA H H 7.748 0.030 1 154 21 21 ALA HA H 5.177 0.030 1 155 21 21 ALA HB H 1.205 0.030 1 156 21 21 ALA C C 176.281 0.300 1 157 21 21 ALA CA C 50.328 0.300 1 158 21 21 ALA CB C 22.412 0.300 1 159 21 21 ALA N N 123.859 0.300 1 160 22 22 PHE H H 8.670 0.030 1 161 22 22 PHE HA H 4.744 0.030 1 162 22 22 PHE HB2 H 2.621 0.030 2 163 22 22 PHE HB3 H 3.522 0.030 2 164 22 22 PHE HD1 H 7.196 0.030 1 165 22 22 PHE HD2 H 7.196 0.030 1 166 22 22 PHE HE1 H 6.848 0.030 1 167 22 22 PHE HE2 H 6.848 0.030 1 168 22 22 PHE HZ H 6.270 0.030 1 169 22 22 PHE C C 175.220 0.300 1 170 22 22 PHE CA C 57.170 0.300 1 171 22 22 PHE CB C 43.555 0.300 1 172 22 22 PHE CD1 C 132.493 0.300 1 173 22 22 PHE CD2 C 132.493 0.300 1 174 22 22 PHE CE1 C 130.566 0.300 1 175 22 22 PHE CE2 C 130.566 0.300 1 176 22 22 PHE CZ C 128.641 0.300 1 177 22 22 PHE N N 117.277 0.300 1 178 23 23 ILE H H 8.681 0.030 1 179 23 23 ILE HA H 4.317 0.030 1 180 23 23 ILE HB H 2.060 0.030 1 181 23 23 ILE HD1 H 0.970 0.030 1 182 23 23 ILE HG12 H 1.687 0.030 2 183 23 23 ILE HG13 H 1.417 0.030 2 184 23 23 ILE HG2 H 1.084 0.030 1 185 23 23 ILE C C 175.969 0.300 1 186 23 23 ILE CA C 63.252 0.300 1 187 23 23 ILE CB C 38.840 0.300 1 188 23 23 ILE CD1 C 13.413 0.300 1 189 23 23 ILE CG1 C 28.464 0.300 1 190 23 23 ILE CG2 C 17.911 0.300 1 191 23 23 ILE N N 119.186 0.300 1 192 24 24 ARG H H 7.716 0.030 1 193 24 24 ARG HA H 4.794 0.030 1 194 24 24 ARG HB2 H 1.606 0.030 2 195 24 24 ARG HB3 H 1.993 0.030 2 196 24 24 ARG HD2 H 3.266 0.030 2 197 24 24 ARG HD3 H 3.180 0.030 2 198 24 24 ARG HG2 H 1.674 0.030 1 199 24 24 ARG HG3 H 1.674 0.030 1 200 24 24 ARG C C 176.531 0.300 1 201 24 24 ARG CA C 53.902 0.300 1 202 24 24 ARG CB C 33.380 0.300 1 203 24 24 ARG CD C 43.295 0.300 1 204 24 24 ARG CG C 27.425 0.300 1 205 24 24 ARG N N 115.336 0.300 1 206 25 25 ASN H H 8.492 0.030 1 207 25 25 ASN HA H 3.587 0.030 1 208 25 25 ASN HB2 H 2.355 0.030 2 209 25 25 ASN HB3 H 1.919 0.030 2 210 25 25 ASN HD21 H 7.127 0.030 2 211 25 25 ASN HD22 H 6.761 0.030 2 212 25 25 ASN C C 177.332 0.300 1 213 25 25 ASN CA C 56.127 0.300 1 214 25 25 ASN CB C 38.325 0.300 1 215 25 25 ASN N N 124.604 0.300 1 216 25 25 ASN ND2 N 111.596 0.300 1 217 26 26 SER HA H 3.868 0.030 1 218 26 26 SER HB2 H 3.825 0.030 1 219 26 26 SER HB3 H 3.825 0.030 1 220 26 26 SER C C 176.671 0.300 1 221 26 26 SER CA C 61.484 0.300 1 222 26 26 SER CB C 59.671 0.300 1 223 26 26 SER N N 116.000 0.300 1 224 27 27 GLN H H 6.676 0.030 1 225 27 27 GLN HA H 3.939 0.030 1 226 27 27 GLN HB2 H 2.434 0.030 2 227 27 27 GLN HB3 H 1.989 0.030 2 228 27 27 GLN HE21 H 7.623 0.030 2 229 27 27 GLN HE22 H 6.955 0.030 2 230 27 27 GLN HG2 H 2.309 0.030 2 231 27 27 GLN HG3 H 2.466 0.030 2 232 27 27 GLN C C 178.435 0.300 1 233 27 27 GLN CA C 57.514 0.300 1 234 27 27 GLN CB C 28.989 0.300 1 235 27 27 GLN CG C 34.442 0.300 1 236 27 27 GLN N N 119.416 0.300 1 237 27 27 GLN NE2 N 111.489 0.300 1 238 28 28 LEU H H 6.916 0.030 1 239 28 28 LEU HA H 3.284 0.030 1 240 28 28 LEU HB2 H 1.256 0.030 2 241 28 28 LEU HB3 H 2.150 0.030 2 242 28 28 LEU HD1 H 1.054 0.030 1 243 28 28 LEU HD2 H 1.060 0.030 1 244 28 28 LEU HG H 1.525 0.030 1 245 28 28 LEU C C 177.490 0.300 1 246 28 28 LEU CA C 57.911 0.300 1 247 28 28 LEU CB C 40.185 0.300 1 248 28 28 LEU CD1 C 26.212 0.300 2 249 28 28 LEU CD2 C 22.856 0.300 2 250 28 28 LEU CG C 27.427 0.300 1 251 28 28 LEU N N 122.389 0.300 1 252 29 29 ILE H H 7.971 0.030 1 253 29 29 ILE HA H 3.731 0.030 1 254 29 29 ILE HB H 1.749 0.030 1 255 29 29 ILE HD1 H 0.720 0.030 1 256 29 29 ILE HG12 H 1.158 0.030 2 257 29 29 ILE HG13 H 1.472 0.030 2 258 29 29 ILE HG2 H 0.838 0.030 1 259 29 29 ILE C C 179.073 0.300 1 260 29 29 ILE CA C 64.438 0.300 1 261 29 29 ILE CB C 37.464 0.300 1 262 29 29 ILE CD1 C 12.666 0.300 1 263 29 29 ILE CG1 C 28.625 0.300 1 264 29 29 ILE CG2 C 17.094 0.300 1 265 29 29 ILE N N 119.136 0.300 1 266 30 30 VAL H H 7.101 0.030 1 267 30 30 VAL HA H 3.510 0.030 1 268 30 30 VAL HB H 1.898 0.030 1 269 30 30 VAL HG1 H 0.904 0.030 1 270 30 30 VAL HG2 H 1.024 0.030 1 271 30 30 VAL C C 178.913 0.300 1 272 30 30 VAL CA C 66.454 0.300 1 273 30 30 VAL CB C 31.972 0.300 1 274 30 30 VAL CG1 C 21.082 0.300 2 275 30 30 VAL CG2 C 22.589 0.300 2 276 30 30 VAL N N 118.445 0.300 1 277 31 31 HIS H H 7.640 0.030 1 278 31 31 HIS HA H 4.227 0.030 1 279 31 31 HIS HB2 H 2.870 0.030 2 280 31 31 HIS HB3 H 3.097 0.030 2 281 31 31 HIS HD2 H 6.973 0.030 1 282 31 31 HIS HE1 H 8.000 0.030 1 283 31 31 HIS C C 178.068 0.300 1 284 31 31 HIS CA C 59.324 0.300 1 285 31 31 HIS CB C 28.585 0.300 1 286 31 31 HIS CD2 C 127.248 0.300 1 287 31 31 HIS CE1 C 139.748 0.300 1 288 31 31 HIS N N 119.473 0.300 1 289 32 32 GLN H H 9.000 0.030 1 290 32 32 GLN HA H 3.726 0.030 1 291 32 32 GLN HB2 H 2.182 0.030 2 292 32 32 GLN HB3 H 2.363 0.030 2 293 32 32 GLN HE21 H 7.655 0.030 2 294 32 32 GLN HE22 H 6.919 0.030 2 295 32 32 GLN HG2 H 2.833 0.030 2 296 32 32 GLN HG3 H 2.769 0.030 2 297 32 32 GLN C C 178.082 0.300 1 298 32 32 GLN CA C 59.828 0.300 1 299 32 32 GLN CB C 28.009 0.300 1 300 32 32 GLN CG C 35.459 0.300 1 301 32 32 GLN N N 120.303 0.300 1 302 32 32 GLN NE2 N 111.620 0.300 1 303 33 33 ARG H H 7.300 0.030 1 304 33 33 ARG HA H 4.192 0.030 1 305 33 33 ARG HB2 H 1.958 0.030 2 306 33 33 ARG HB3 H 1.863 0.030 2 307 33 33 ARG HD2 H 3.182 0.030 1 308 33 33 ARG HD3 H 3.182 0.030 1 309 33 33 ARG HG2 H 1.686 0.030 2 310 33 33 ARG HG3 H 1.893 0.030 2 311 33 33 ARG C C 178.428 0.300 1 312 33 33 ARG CA C 58.472 0.300 1 313 33 33 ARG CB C 29.899 0.300 1 314 33 33 ARG CD C 43.699 0.300 1 315 33 33 ARG CG C 27.788 0.300 1 316 33 33 ARG N N 117.936 0.300 1 317 34 34 THR H H 7.787 0.030 1 318 34 34 THR HA H 4.127 0.030 1 319 34 34 THR HB H 4.001 0.030 1 320 34 34 THR HG2 H 1.153 0.030 1 321 34 34 THR C C 175.625 0.300 1 322 34 34 THR CA C 64.023 0.300 1 323 34 34 THR CB C 69.314 0.300 1 324 34 34 THR CG2 C 20.942 0.300 1 325 34 34 THR N N 109.902 0.300 1 326 35 35 HIS H H 7.100 0.030 1 327 35 35 HIS HA H 4.859 0.030 1 328 35 35 HIS HB2 H 3.158 0.030 2 329 35 35 HIS HB3 H 3.346 0.030 2 330 35 35 HIS HD2 H 6.681 0.030 1 331 35 35 HIS HE1 H 8.013 0.030 1 332 35 35 HIS C C 175.369 0.300 1 333 35 35 HIS CA C 55.421 0.300 1 334 35 35 HIS CB C 28.730 0.300 1 335 35 35 HIS CD2 C 127.131 0.300 1 336 35 35 HIS CE1 C 139.948 0.300 1 337 35 35 HIS N N 118.308 0.300 1 338 36 36 SER H H 7.832 0.030 1 339 36 36 SER HA H 4.488 0.030 1 340 36 36 SER HB2 H 3.970 0.030 2 341 36 36 SER HB3 H 3.913 0.030 2 342 36 36 SER C C 175.116 0.300 1 343 36 36 SER CA C 58.823 0.300 1 344 36 36 SER CB C 63.948 0.300 1 345 36 36 SER N N 114.683 0.300 1 346 37 37 GLY H H 8.324 0.030 1 347 37 37 GLY HA2 H 4.012 0.030 1 348 37 37 GLY HA3 H 4.012 0.030 1 349 37 37 GLY C C 174.303 0.300 1 350 37 37 GLY CA C 45.417 0.300 1 351 37 37 GLY N N 110.893 0.300 1 352 38 38 GLU H H 8.206 0.030 1 353 38 38 GLU HA H 4.331 0.030 1 354 38 38 GLU HB2 H 2.074 0.030 2 355 38 38 GLU HB3 H 1.922 0.030 2 356 38 38 GLU HG2 H 2.261 0.030 1 357 38 38 GLU HG3 H 2.261 0.030 1 358 38 38 GLU C C 176.590 0.300 1 359 38 38 GLU CA C 56.589 0.300 1 360 38 38 GLU CB C 30.477 0.300 1 361 38 38 GLU CG C 36.412 0.300 1 362 38 38 GLU N N 120.603 0.300 1 363 39 39 SER H H 8.416 0.030 1 364 39 39 SER HA H 4.490 0.030 1 365 39 39 SER HB2 H 3.885 0.030 1 366 39 39 SER HB3 H 3.885 0.030 1 367 39 39 SER C C 174.575 0.300 1 368 39 39 SER CA C 58.289 0.300 1 369 39 39 SER CB C 63.935 0.300 1 370 39 39 SER N N 116.772 0.300 1 371 40 40 GLY H H 8.240 0.030 1 372 40 40 GLY HA2 H 4.149 0.030 2 373 40 40 GLY HA3 H 4.051 0.030 2 374 40 40 GLY C C 171.726 0.300 1 375 40 40 GLY CA C 44.662 0.300 1 376 40 40 GLY N N 110.640 0.300 1 377 41 41 PRO HA H 4.481 0.030 1 378 41 41 PRO HB2 H 1.969 0.030 2 379 41 41 PRO HB3 H 2.288 0.030 2 380 41 41 PRO HD2 H 3.620 0.030 1 381 41 41 PRO HD3 H 3.620 0.030 1 382 41 41 PRO HG2 H 2.012 0.030 1 383 41 41 PRO HG3 H 2.012 0.030 1 384 41 41 PRO C C 177.367 0.300 1 385 41 41 PRO CA C 63.234 0.300 1 386 41 41 PRO CB C 32.193 0.300 1 387 41 41 PRO CD C 49.786 0.300 1 388 41 41 PRO CG C 27.145 0.300 1 389 42 42 SER H H 8.538 0.030 1 390 42 42 SER C C 174.673 0.300 1 391 42 42 SER CA C 58.495 0.300 1 392 42 42 SER CB C 64.033 0.300 1 393 42 42 SER N N 116.501 0.300 1 stop_ save_