data_10216 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 411-441) of human Zinc finger protein 268 ; _BMRB_accession_number 10216 _BMRB_flat_file_name bmr10216.str _Entry_type original _Submission_date 2008-05-22 _Accession_date 2008-05-22 _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" 204 "13C chemical shifts" 147 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-28 original author . stop_ _Original_release_date 2009-05-28 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 411-441) 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 other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSSGSSGTGEKPYECNECQK AFNTKSNLMVHQRTHTGESG PSSG ; 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 TYR 14 GLU 15 CYS 16 ASN 17 GLU 18 CYS 19 GLN 20 LYS 21 ALA 22 PHE 23 ASN 24 THR 25 LYS 26 SER 27 ASN 28 LEU 29 MET 30 VAL 31 HIS 32 GLN 33 ARG 34 THR 35 HIS 36 THR 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 2EOF "Solution Structure Of The C2h2 Type Zinc Finger (Region 411- 441) Of Human Zinc Finger Protein 268" 100.00 44 100.00 100.00 3.37e-22 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _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 P061218-06 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 '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_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 4.049 0.030 1 2 7 7 GLY HA3 H 4.049 0.030 1 3 7 7 GLY C C 174.520 0.300 1 4 7 7 GLY CA C 45.474 0.300 1 5 8 8 THR H H 8.150 0.030 1 6 8 8 THR HA H 4.390 0.030 1 7 8 8 THR HB H 4.307 0.030 1 8 8 8 THR HG2 H 1.198 0.030 1 9 8 8 THR C C 175.239 0.300 1 10 8 8 THR CA C 61.894 0.300 1 11 8 8 THR CB C 69.895 0.300 1 12 8 8 THR CG2 C 21.519 0.300 1 13 8 8 THR N N 112.793 0.300 1 14 9 9 GLY H H 8.460 0.030 1 15 9 9 GLY HA2 H 3.935 0.030 1 16 9 9 GLY HA3 H 3.935 0.030 1 17 9 9 GLY C C 174.058 0.300 1 18 9 9 GLY CA C 45.284 0.300 1 19 9 9 GLY N N 110.999 0.300 1 20 10 10 GLU H H 8.232 0.030 1 21 10 10 GLU HA H 4.221 0.030 1 22 10 10 GLU HB2 H 2.017 0.030 2 23 10 10 GLU HB3 H 1.909 0.030 2 24 10 10 GLU HG2 H 2.264 0.030 1 25 10 10 GLU HG3 H 2.264 0.030 1 26 10 10 GLU C C 176.320 0.300 1 27 10 10 GLU CA C 56.807 0.300 1 28 10 10 GLU CB C 30.485 0.300 1 29 10 10 GLU CG C 36.306 0.300 1 30 10 10 GLU N N 120.268 0.300 1 31 11 11 LYS H H 8.293 0.030 1 32 11 11 LYS HA H 4.511 0.030 1 33 11 11 LYS HB2 H 1.578 0.030 2 34 11 11 LYS HB3 H 1.500 0.030 2 35 11 11 LYS HD2 H 1.523 0.030 1 36 11 11 LYS HD3 H 1.523 0.030 1 37 11 11 LYS HE2 H 2.922 0.030 1 38 11 11 LYS HE3 H 2.922 0.030 1 39 11 11 LYS HG2 H 1.213 0.030 2 40 11 11 LYS HG3 H 1.334 0.030 2 41 11 11 LYS C C 173.935 0.300 1 42 11 11 LYS CA C 53.941 0.300 1 43 11 11 LYS CB C 32.968 0.300 1 44 11 11 LYS CD C 29.237 0.300 1 45 11 11 LYS CE C 42.299 0.300 1 46 11 11 LYS CG C 24.799 0.300 1 47 11 11 LYS N N 121.633 0.300 1 48 12 12 PRO HA H 4.311 0.030 1 49 12 12 PRO HB2 H 1.367 0.030 2 50 12 12 PRO HB3 H 2.054 0.030 2 51 12 12 PRO HD2 H 3.649 0.030 1 52 12 12 PRO HD3 H 3.649 0.030 1 53 12 12 PRO HG2 H 1.842 0.030 2 54 12 12 PRO HG3 H 1.714 0.030 2 55 12 12 PRO C C 176.347 0.300 1 56 12 12 PRO CA C 63.422 0.300 1 57 12 12 PRO CB C 32.261 0.300 1 58 12 12 PRO CD C 50.300 0.300 1 59 12 12 PRO CG C 26.856 0.300 1 60 13 13 TYR H H 8.065 0.030 1 61 13 13 TYR HA H 4.593 0.030 1 62 13 13 TYR HB2 H 2.807 0.030 2 63 13 13 TYR HB3 H 2.945 0.030 2 64 13 13 TYR HD1 H 6.996 0.030 1 65 13 13 TYR HD2 H 6.996 0.030 1 66 13 13 TYR HE1 H 6.866 0.030 1 67 13 13 TYR HE2 H 6.866 0.030 1 68 13 13 TYR C C 174.711 0.300 1 69 13 13 TYR CA C 57.524 0.300 1 70 13 13 TYR CB C 38.493 0.300 1 71 13 13 TYR CD1 C 133.060 0.300 1 72 13 13 TYR CD2 C 133.060 0.300 1 73 13 13 TYR CE1 C 118.300 0.300 1 74 13 13 TYR CE2 C 118.300 0.300 1 75 13 13 TYR N N 118.480 0.300 1 76 14 14 GLU H H 8.555 0.030 1 77 14 14 GLU HA H 4.830 0.030 1 78 14 14 GLU HB2 H 1.901 0.030 2 79 14 14 GLU HB3 H 1.869 0.030 2 80 14 14 GLU HG2 H 2.019 0.030 1 81 14 14 GLU HG3 H 2.019 0.030 1 82 14 14 GLU C C 175.283 0.300 1 83 14 14 GLU CA C 55.294 0.300 1 84 14 14 GLU CB C 32.651 0.300 1 85 14 14 GLU CG C 36.722 0.300 1 86 14 14 GLU N N 124.223 0.300 1 87 15 15 CYS H H 9.054 0.030 1 88 15 15 CYS HA H 4.519 0.030 1 89 15 15 CYS HB2 H 2.876 0.030 2 90 15 15 CYS HB3 H 3.417 0.030 2 91 15 15 CYS C C 176.371 0.300 1 92 15 15 CYS CA C 59.775 0.300 1 93 15 15 CYS CB C 29.834 0.300 1 94 15 15 CYS N N 126.124 0.300 1 95 16 16 ASN H H 9.145 0.030 1 96 16 16 ASN HA H 4.664 0.030 1 97 16 16 ASN HB2 H 2.924 0.030 1 98 16 16 ASN HB3 H 2.924 0.030 1 99 16 16 ASN HD21 H 7.691 0.030 2 100 16 16 ASN HD22 H 6.978 0.030 2 101 16 16 ASN C C 175.434 0.300 1 102 16 16 ASN CA C 55.450 0.300 1 103 16 16 ASN CB C 38.367 0.300 1 104 16 16 ASN N N 128.375 0.300 1 105 16 16 ASN ND2 N 113.142 0.300 1 106 17 17 GLU H H 8.940 0.030 1 107 17 17 GLU HA H 4.309 0.030 1 108 17 17 GLU HB2 H 1.467 0.030 2 109 17 17 GLU HB3 H 1.347 0.030 2 110 17 17 GLU HG2 H 1.918 0.030 2 111 17 17 GLU HG3 H 1.824 0.030 2 112 17 17 GLU C C 176.943 0.300 1 113 17 17 GLU CA C 58.075 0.300 1 114 17 17 GLU CB C 30.005 0.300 1 115 17 17 GLU CG C 35.844 0.300 1 116 17 17 GLU N N 121.278 0.300 1 117 18 18 CYS H H 7.884 0.030 1 118 18 18 CYS HA H 5.030 0.030 1 119 18 18 CYS HB2 H 2.920 0.030 2 120 18 18 CYS HB3 H 3.368 0.030 2 121 18 18 CYS C C 174.784 0.300 1 122 18 18 CYS CA C 58.712 0.300 1 123 18 18 CYS CB C 31.646 0.300 1 124 18 18 CYS N N 116.336 0.300 1 125 19 19 GLN H H 8.117 0.030 1 126 19 19 GLN HA H 4.176 0.030 1 127 19 19 GLN HB2 H 2.386 0.030 2 128 19 19 GLN HB3 H 2.286 0.030 2 129 19 19 GLN HE21 H 6.509 0.030 2 130 19 19 GLN HE22 H 7.469 0.030 2 131 19 19 GLN HG2 H 2.348 0.030 2 132 19 19 GLN HG3 H 2.276 0.030 2 133 19 19 GLN C C 175.071 0.300 1 134 19 19 GLN CA C 58.561 0.300 1 135 19 19 GLN CB C 26.375 0.300 1 136 19 19 GLN CG C 35.318 0.300 1 137 19 19 GLN N N 116.253 0.300 1 138 19 19 GLN NE2 N 112.695 0.300 1 139 20 20 LYS H H 7.920 0.030 1 140 20 20 LYS HA H 4.106 0.030 1 141 20 20 LYS HB2 H 1.412 0.030 2 142 20 20 LYS HB3 H 1.288 0.030 2 143 20 20 LYS HD2 H 1.523 0.030 1 144 20 20 LYS HD3 H 1.523 0.030 1 145 20 20 LYS HE2 H 2.987 0.030 1 146 20 20 LYS HE3 H 2.987 0.030 1 147 20 20 LYS HG2 H 1.205 0.030 2 148 20 20 LYS HG3 H 1.512 0.030 2 149 20 20 LYS C C 173.942 0.300 1 150 20 20 LYS CA C 57.784 0.300 1 151 20 20 LYS CB C 34.257 0.300 1 152 20 20 LYS CD C 29.293 0.300 1 153 20 20 LYS CE C 42.258 0.300 1 154 20 20 LYS CG C 26.373 0.300 1 155 20 20 LYS N N 121.537 0.300 1 156 21 21 ALA H H 7.796 0.030 1 157 21 21 ALA HA H 5.070 0.030 1 158 21 21 ALA HB H 1.227 0.030 1 159 21 21 ALA C C 176.123 0.300 1 160 21 21 ALA CA C 50.530 0.300 1 161 21 21 ALA CB C 22.271 0.300 1 162 21 21 ALA N N 123.395 0.300 1 163 22 22 PHE H H 8.662 0.030 1 164 22 22 PHE HA H 4.679 0.030 1 165 22 22 PHE HB2 H 2.756 0.030 2 166 22 22 PHE HB3 H 3.310 0.030 2 167 22 22 PHE HD1 H 7.247 0.030 1 168 22 22 PHE HD2 H 7.247 0.030 1 169 22 22 PHE HE1 H 6.825 0.030 1 170 22 22 PHE HE2 H 6.825 0.030 1 171 22 22 PHE HZ H 6.196 0.030 1 172 22 22 PHE C C 175.069 0.300 1 173 22 22 PHE CA C 57.458 0.300 1 174 22 22 PHE CB C 44.024 0.300 1 175 22 22 PHE CD1 C 131.997 0.300 1 176 22 22 PHE CD2 C 131.997 0.300 1 177 22 22 PHE CE1 C 130.891 0.300 1 178 22 22 PHE CE2 C 130.891 0.300 1 179 22 22 PHE CZ C 128.986 0.300 1 180 22 22 PHE N N 116.451 0.300 1 181 23 23 ASN HA H 4.887 0.030 1 182 23 23 ASN HB2 H 3.112 0.030 2 183 23 23 ASN HB3 H 3.017 0.030 2 184 23 23 ASN HD21 H 7.749 0.030 2 185 23 23 ASN HD22 H 7.016 0.030 2 186 23 23 ASN C C 175.404 0.300 1 187 23 23 ASN CA C 55.197 0.300 1 188 23 23 ASN CB C 39.066 0.300 1 189 23 23 ASN ND2 N 112.614 0.300 1 190 24 24 THR H H 7.425 0.030 1 191 24 24 THR HA H 4.766 0.030 1 192 24 24 THR HB H 4.462 0.030 1 193 24 24 THR HG2 H 1.232 0.030 1 194 24 24 THR C C 173.616 0.300 1 195 24 24 THR CA C 58.695 0.300 1 196 24 24 THR CB C 72.730 0.300 1 197 24 24 THR CG2 C 21.800 0.300 1 198 24 24 THR N N 106.491 0.300 1 199 25 25 LYS H H 8.323 0.030 1 200 25 25 LYS HA H 3.194 0.030 1 201 25 25 LYS HB2 H 1.305 0.030 2 202 25 25 LYS HB3 H 1.577 0.030 2 203 25 25 LYS HD2 H 1.606 0.030 2 204 25 25 LYS HD3 H 1.656 0.030 2 205 25 25 LYS HE2 H 2.985 0.030 1 206 25 25 LYS HE3 H 2.985 0.030 1 207 25 25 LYS HG2 H 1.127 0.030 2 208 25 25 LYS HG3 H 1.209 0.030 2 209 25 25 LYS C C 178.784 0.300 1 210 25 25 LYS CA C 58.821 0.300 1 211 25 25 LYS CB C 31.835 0.300 1 212 25 25 LYS CD C 29.209 0.300 1 213 25 25 LYS CE C 42.178 0.300 1 214 25 25 LYS CG C 25.079 0.300 1 215 25 25 LYS N N 124.117 0.300 1 216 26 26 SER H H 8.351 0.030 1 217 26 26 SER HA H 4.066 0.030 1 218 26 26 SER HB2 H 3.816 0.030 2 219 26 26 SER HB3 H 3.789 0.030 2 220 26 26 SER C C 176.574 0.300 1 221 26 26 SER CA C 61.540 0.300 1 222 26 26 SER CB C 62.205 0.300 1 223 26 26 SER N N 113.534 0.300 1 224 27 27 ASN H H 7.720 0.030 1 225 27 27 ASN HA H 4.461 0.030 1 226 27 27 ASN HB2 H 2.935 0.030 2 227 27 27 ASN HB3 H 2.841 0.030 2 228 27 27 ASN HD21 H 7.108 0.030 2 229 27 27 ASN HD22 H 7.981 0.030 2 230 27 27 ASN C C 178.233 0.300 1 231 27 27 ASN CA C 55.387 0.300 1 232 27 27 ASN CB C 37.652 0.300 1 233 27 27 ASN N N 119.042 0.300 1 234 27 27 ASN ND2 N 112.855 0.300 1 235 28 28 LEU H H 7.445 0.030 1 236 28 28 LEU HA H 3.276 0.030 1 237 28 28 LEU HB2 H 1.355 0.030 2 238 28 28 LEU HB3 H 2.060 0.030 2 239 28 28 LEU HD1 H 0.992 0.030 1 240 28 28 LEU HD2 H 1.001 0.030 1 241 28 28 LEU HG H 1.476 0.030 1 242 28 28 LEU C C 177.423 0.300 1 243 28 28 LEU CA C 58.231 0.300 1 244 28 28 LEU CB C 40.386 0.300 1 245 28 28 LEU CD1 C 22.900 0.300 2 246 28 28 LEU CD2 C 26.542 0.300 2 247 28 28 LEU CG C 27.473 0.300 1 248 28 28 LEU N N 122.869 0.300 1 249 29 29 MET H H 8.332 0.030 1 250 29 29 MET HA H 4.187 0.030 1 251 29 29 MET HB2 H 2.133 0.030 1 252 29 29 MET HB3 H 2.133 0.030 1 253 29 29 MET HE H 2.063 0.030 1 254 29 29 MET HG2 H 2.545 0.030 2 255 29 29 MET HG3 H 2.694 0.030 2 256 29 29 MET C C 179.451 0.300 1 257 29 29 MET CA C 59.047 0.300 1 258 29 29 MET CB C 32.224 0.300 1 259 29 29 MET CE C 16.809 0.300 1 260 29 29 MET CG C 31.959 0.300 1 261 29 29 MET N N 118.924 0.300 1 262 30 30 VAL H H 7.797 0.030 1 263 30 30 VAL HA H 3.523 0.030 1 264 30 30 VAL HB H 1.980 0.030 1 265 30 30 VAL HG1 H 0.912 0.030 1 266 30 30 VAL HG2 H 1.050 0.030 1 267 30 30 VAL C C 179.004 0.300 1 268 30 30 VAL CA C 66.614 0.300 1 269 30 30 VAL CB C 32.139 0.300 1 270 30 30 VAL CG1 C 21.149 0.300 2 271 30 30 VAL CG2 C 22.676 0.300 2 272 30 30 VAL N N 119.346 0.300 1 273 31 31 HIS H H 7.373 0.030 1 274 31 31 HIS HA H 4.217 0.030 1 275 31 31 HIS HB2 H 2.723 0.030 2 276 31 31 HIS HB3 H 2.963 0.030 2 277 31 31 HIS HD2 H 6.842 0.030 1 278 31 31 HIS HE1 H 7.951 0.030 1 279 31 31 HIS C C 178.166 0.300 1 280 31 31 HIS CA C 59.194 0.300 1 281 31 31 HIS CB C 28.095 0.300 1 282 31 31 HIS CD2 C 127.373 0.300 1 283 31 31 HIS CE1 C 139.122 0.300 1 284 31 31 HIS N N 119.317 0.300 1 285 32 32 GLN H H 8.912 0.030 1 286 32 32 GLN HA H 3.660 0.030 1 287 32 32 GLN HB2 H 2.318 0.030 2 288 32 32 GLN HB3 H 2.220 0.030 2 289 32 32 GLN HE21 H 6.963 0.030 2 290 32 32 GLN HE22 H 7.603 0.030 2 291 32 32 GLN HG2 H 2.817 0.030 2 292 32 32 GLN HG3 H 2.761 0.030 2 293 32 32 GLN C C 177.784 0.300 1 294 32 32 GLN CA C 59.952 0.300 1 295 32 32 GLN CB C 28.263 0.300 1 296 32 32 GLN CG C 35.799 0.300 1 297 32 32 GLN N N 120.179 0.300 1 298 32 32 GLN NE2 N 112.248 0.300 1 299 33 33 ARG H H 7.262 0.030 1 300 33 33 ARG HA H 4.208 0.030 1 301 33 33 ARG HB2 H 1.956 0.030 2 302 33 33 ARG HB3 H 1.850 0.030 2 303 33 33 ARG HD2 H 3.190 0.030 1 304 33 33 ARG HD3 H 3.190 0.030 1 305 33 33 ARG HG2 H 1.906 0.030 2 306 33 33 ARG HG3 H 1.691 0.030 2 307 33 33 ARG C C 178.239 0.300 1 308 33 33 ARG CA C 58.523 0.300 1 309 33 33 ARG CB C 29.988 0.300 1 310 33 33 ARG CD C 43.712 0.300 1 311 33 33 ARG CG C 27.616 0.300 1 312 33 33 ARG N N 117.576 0.300 1 313 34 34 THR H H 7.797 0.030 1 314 34 34 THR HA H 4.142 0.030 1 315 34 34 THR HB H 4.022 0.030 1 316 34 34 THR HG2 H 1.156 0.030 1 317 34 34 THR C C 175.641 0.300 1 318 34 34 THR CA C 63.920 0.300 1 319 34 34 THR CB C 69.413 0.300 1 320 34 34 THR CG2 C 20.965 0.300 1 321 34 34 THR N N 109.658 0.300 1 322 35 35 HIS H H 7.215 0.030 1 323 35 35 HIS HA H 4.852 0.030 1 324 35 35 HIS HB2 H 3.335 0.030 2 325 35 35 HIS HB3 H 3.215 0.030 2 326 35 35 HIS HD2 H 6.661 0.030 1 327 35 35 HIS HE1 H 7.993 0.030 1 328 35 35 HIS C C 175.704 0.300 1 329 35 35 HIS CA C 55.632 0.300 1 330 35 35 HIS CB C 28.783 0.300 1 331 35 35 HIS CD2 C 127.084 0.300 1 332 35 35 HIS CE1 C 139.756 0.300 1 333 35 35 HIS N N 118.639 0.300 1 334 36 36 THR H H 7.818 0.030 1 335 36 36 THR HA H 4.397 0.030 1 336 36 36 THR HB H 4.339 0.030 1 337 36 36 THR HG2 H 1.245 0.030 1 338 36 36 THR C C 175.429 0.300 1 339 36 36 THR CA C 62.294 0.300 1 340 36 36 THR CB C 69.885 0.300 1 341 36 36 THR CG2 C 21.600 0.300 1 342 36 36 THR N N 111.712 0.300 1 343 37 37 GLY H H 8.273 0.030 1 344 37 37 GLY HA2 H 4.055 0.030 2 345 37 37 GLY HA3 H 3.985 0.030 2 346 37 37 GLY C C 174.325 0.300 1 347 37 37 GLY CA C 45.477 0.300 1 348 37 37 GLY N N 110.839 0.300 1 349 38 38 GLU H H 8.210 0.030 1 350 38 38 GLU HA H 4.330 0.030 1 351 38 38 GLU HB2 H 2.077 0.030 2 352 38 38 GLU HB3 H 1.932 0.030 2 353 38 38 GLU HG2 H 2.265 0.030 1 354 38 38 GLU HG3 H 2.265 0.030 1 355 38 38 GLU C C 176.563 0.300 1 356 38 38 GLU CA C 56.675 0.300 1 357 38 38 GLU CB C 30.528 0.300 1 358 38 38 GLU CG C 36.318 0.300 1 359 38 38 GLU N N 120.721 0.300 1 360 39 39 SER H H 8.419 0.030 1 361 39 39 SER HA H 4.499 0.030 1 362 39 39 SER HB2 H 3.877 0.030 1 363 39 39 SER HB3 H 3.877 0.030 1 364 39 39 SER C C 174.576 0.300 1 365 39 39 SER CA C 58.389 0.300 1 366 39 39 SER CB C 64.005 0.300 1 367 39 39 SER N N 116.775 0.300 1 368 40 40 GLY H H 8.241 0.030 1 369 40 40 GLY HA2 H 4.166 0.030 2 370 40 40 GLY HA3 H 4.077 0.030 2 371 40 40 GLY C C 171.716 0.300 1 372 40 40 GLY CA C 44.659 0.300 1 373 40 40 GLY N N 110.604 0.300 1 374 41 41 PRO HA H 4.486 0.030 1 375 41 41 PRO HB2 H 2.302 0.030 1 376 41 41 PRO HB3 H 2.302 0.030 1 377 41 41 PRO HD2 H 3.627 0.030 1 378 41 41 PRO HD3 H 3.627 0.030 1 379 41 41 PRO HG2 H 2.022 0.030 1 380 41 41 PRO HG3 H 2.022 0.030 1 381 41 41 PRO C C 177.364 0.300 1 382 41 41 PRO CA C 63.199 0.300 1 383 41 41 PRO CB C 32.225 0.300 1 384 41 41 PRO CD C 49.824 0.300 1 385 41 41 PRO CG C 27.162 0.300 1 386 42 42 SER H H 8.534 0.030 1 387 42 42 SER C C 174.655 0.300 1 388 42 42 SER N N 116.525 0.300 1 stop_ save_