data_10217 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 693-723) of human Zinc finger protein 268 ; _BMRB_accession_number 10217 _BMRB_flat_file_name bmr10217.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" 206 "13C chemical shifts" 155 "15N chemical shifts" 31 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 693-723) 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 ; GSSGSSGVKPYGCSECGKAF RSKSYLIIHMRTHTGEKPSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 LYS 10 PRO 11 TYR 12 GLY 13 CYS 14 SER 15 GLU 16 CYS 17 GLY 18 LYS 19 ALA 20 PHE 21 ARG 22 SER 23 LYS 24 SER 25 TYR 26 LEU 27 ILE 28 ILE 29 HIS 30 MET 31 ARG 32 THR 33 HIS 34 THR 35 GLY 36 GLU 37 LYS 38 PRO 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 2EOG "Solution Structure Of The C2h2 Type Zinc Finger (Region 693- 723) Of Human Zinc Finger Protein 268" 100.00 44 100.00 100.00 3.68e-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 P061218-16 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 3.954 0.030 1 2 7 7 GLY HA3 H 3.954 0.030 1 3 7 7 GLY C C 173.934 0.300 1 4 7 7 GLY CA C 45.271 0.300 1 5 8 8 VAL H H 7.897 0.030 1 6 8 8 VAL HA H 4.047 0.030 1 7 8 8 VAL HB H 2.032 0.030 1 8 8 8 VAL HG1 H 0.914 0.030 1 9 8 8 VAL HG2 H 0.904 0.030 1 10 8 8 VAL C C 175.891 0.300 1 11 8 8 VAL CA C 62.520 0.300 1 12 8 8 VAL CB C 32.445 0.300 1 13 8 8 VAL CG1 C 20.544 0.300 2 14 8 8 VAL CG2 C 21.155 0.300 2 15 8 8 VAL N N 119.114 0.300 1 16 9 9 LYS H H 8.299 0.030 1 17 9 9 LYS HA H 4.522 0.030 1 18 9 9 LYS HB2 H 1.576 0.030 2 19 9 9 LYS HB3 H 1.423 0.030 2 20 9 9 LYS HD2 H 1.505 0.030 2 21 9 9 LYS HE2 H 2.921 0.030 2 22 9 9 LYS HG2 H 1.348 0.030 2 23 9 9 LYS HG3 H 1.156 0.030 2 24 9 9 LYS C C 173.981 0.300 1 25 9 9 LYS CA C 53.793 0.300 1 26 9 9 LYS CB C 33.011 0.300 1 27 9 9 LYS CD C 29.420 0.300 1 28 9 9 LYS CE C 42.267 0.300 1 29 9 9 LYS CG C 24.971 0.300 1 30 9 9 LYS N N 125.248 0.300 1 31 10 10 PRO HA H 4.290 0.030 1 32 10 10 PRO HB2 H 2.018 0.030 2 33 10 10 PRO HB3 H 1.258 0.030 2 34 10 10 PRO HD2 H 3.735 0.030 2 35 10 10 PRO HD3 H 3.623 0.030 2 36 10 10 PRO HG2 H 1.811 0.030 2 37 10 10 PRO HG3 H 1.694 0.030 2 38 10 10 PRO C C 176.364 0.300 1 39 10 10 PRO CA C 63.426 0.300 1 40 10 10 PRO CB C 32.209 0.300 1 41 10 10 PRO CD C 50.442 0.300 1 42 10 10 PRO CG C 26.729 0.300 1 43 11 11 TYR H H 7.981 0.030 1 44 11 11 TYR HA H 4.659 0.030 1 45 11 11 TYR HB2 H 2.971 0.030 2 46 11 11 TYR HB3 H 2.859 0.030 2 47 11 11 TYR HD1 H 7.038 0.030 1 48 11 11 TYR HD2 H 7.038 0.030 1 49 11 11 TYR HE1 H 6.894 0.030 1 50 11 11 TYR HE2 H 6.894 0.030 1 51 11 11 TYR C C 175.225 0.300 1 52 11 11 TYR CA C 57.195 0.300 1 53 11 11 TYR CB C 38.185 0.300 1 54 11 11 TYR CD1 C 133.106 0.300 1 55 11 11 TYR CD2 C 133.106 0.300 1 56 11 11 TYR CE1 C 118.361 0.300 1 57 11 11 TYR CE2 C 118.361 0.300 1 58 11 11 TYR N N 117.941 0.300 1 59 12 12 GLY H H 8.475 0.030 1 60 12 12 GLY HA2 H 3.630 0.030 2 61 12 12 GLY HA3 H 4.709 0.030 2 62 12 12 GLY C C 172.847 0.300 1 63 12 12 GLY CA C 44.512 0.300 1 64 12 12 GLY N N 111.547 0.300 1 65 13 13 CYS H H 9.098 0.030 1 66 13 13 CYS HA H 4.701 0.030 1 67 13 13 CYS HB2 H 2.887 0.030 2 68 13 13 CYS HB3 H 3.423 0.030 2 69 13 13 CYS C C 177.769 0.300 1 70 13 13 CYS CA C 59.277 0.300 1 71 13 13 CYS CB C 30.109 0.300 1 72 13 13 CYS N N 124.934 0.300 1 73 14 14 SER H H 9.169 0.030 1 74 14 14 SER HA H 4.273 0.030 1 75 14 14 SER HB2 H 4.063 0.030 2 76 14 14 SER HB3 H 3.984 0.030 2 77 14 14 SER C C 174.567 0.300 1 78 14 14 SER CA C 60.801 0.300 1 79 14 14 SER CB C 63.065 0.300 1 80 14 14 SER N N 127.617 0.300 1 81 15 15 GLU H H 9.031 0.030 1 82 15 15 GLU HA H 4.274 0.030 1 83 15 15 GLU HB2 H 1.441 0.030 2 84 15 15 GLU HB3 H 1.235 0.030 2 85 15 15 GLU HG2 H 1.855 0.030 1 86 15 15 GLU HG3 H 1.855 0.030 1 87 15 15 GLU C C 177.149 0.300 1 88 15 15 GLU CA C 57.715 0.300 1 89 15 15 GLU CB C 29.512 0.300 1 90 15 15 GLU CG C 35.546 0.300 1 91 15 15 GLU N N 123.683 0.300 1 92 16 16 CYS H H 8.253 0.030 1 93 16 16 CYS HA H 5.178 0.030 1 94 16 16 CYS HB2 H 2.915 0.030 2 95 16 16 CYS HB3 H 3.452 0.030 2 96 16 16 CYS C C 176.203 0.300 1 97 16 16 CYS CA C 58.466 0.300 1 98 16 16 CYS CB C 32.439 0.300 1 99 16 16 CYS N N 116.046 0.300 1 100 17 17 GLY H H 8.087 0.030 1 101 17 17 GLY HA2 H 3.882 0.030 2 102 17 17 GLY HA3 H 4.225 0.030 2 103 17 17 GLY C C 174.332 0.300 1 104 17 17 GLY CA C 46.224 0.300 1 105 17 17 GLY N N 112.453 0.300 1 106 18 18 LYS H H 7.998 0.030 1 107 18 18 LYS HA H 4.011 0.030 1 108 18 18 LYS HB2 H 1.408 0.030 2 109 18 18 LYS HB3 H 1.293 0.030 2 110 18 18 LYS HD2 H 1.561 0.030 1 111 18 18 LYS HD3 H 1.561 0.030 1 112 18 18 LYS HE2 H 3.016 0.030 2 113 18 18 LYS HE3 H 2.987 0.030 2 114 18 18 LYS HG2 H 1.534 0.030 2 115 18 18 LYS HG3 H 1.205 0.030 2 116 18 18 LYS C C 173.574 0.300 1 117 18 18 LYS CA C 58.142 0.300 1 118 18 18 LYS CB C 33.979 0.300 1 119 18 18 LYS CD C 29.395 0.300 1 120 18 18 LYS CE C 42.230 0.300 1 121 18 18 LYS CG C 26.431 0.300 1 122 18 18 LYS N N 123.407 0.300 1 123 19 19 ALA H H 7.768 0.030 1 124 19 19 ALA HA H 5.057 0.030 1 125 19 19 ALA HB H 1.181 0.030 1 126 19 19 ALA C C 176.149 0.300 1 127 19 19 ALA CA C 50.649 0.300 1 128 19 19 ALA CB C 22.135 0.300 1 129 19 19 ALA N N 122.869 0.300 1 130 20 20 PHE H H 8.400 0.030 1 131 20 20 PHE HA H 4.787 0.030 1 132 20 20 PHE HB2 H 2.864 0.030 2 133 20 20 PHE HB3 H 3.451 0.030 2 134 20 20 PHE HD1 H 7.352 0.030 1 135 20 20 PHE HD2 H 7.352 0.030 1 136 20 20 PHE HE1 H 6.854 0.030 1 137 20 20 PHE HE2 H 6.854 0.030 1 138 20 20 PHE HZ H 6.211 0.030 1 139 20 20 PHE C C 175.996 0.300 1 140 20 20 PHE CA C 57.402 0.300 1 141 20 20 PHE CB C 44.177 0.300 1 142 20 20 PHE CD1 C 132.242 0.300 1 143 20 20 PHE CD2 C 132.242 0.300 1 144 20 20 PHE CE1 C 130.776 0.300 1 145 20 20 PHE CE2 C 130.776 0.300 1 146 20 20 PHE CZ C 128.826 0.300 1 147 20 20 PHE N N 116.260 0.300 1 148 21 21 ARG H H 9.316 0.030 1 149 21 21 ARG HA H 4.478 0.030 1 150 21 21 ARG HB2 H 2.034 0.030 1 151 21 21 ARG HB3 H 2.034 0.030 1 152 21 21 ARG HD2 H 3.266 0.030 1 153 21 21 ARG HD3 H 3.266 0.030 1 154 21 21 ARG HG2 H 1.801 0.030 1 155 21 21 ARG HG3 H 1.801 0.030 1 156 21 21 ARG C C 175.389 0.300 1 157 21 21 ARG CA C 57.837 0.300 1 158 21 21 ARG CB C 31.184 0.300 1 159 21 21 ARG CD C 43.461 0.300 1 160 21 21 ARG CG C 27.527 0.300 1 161 21 21 ARG N N 119.000 0.300 1 162 22 22 SER H H 7.474 0.030 1 163 22 22 SER HA H 4.696 0.030 1 164 22 22 SER HB2 H 3.711 0.030 2 165 22 22 SER HB3 H 3.933 0.030 2 166 22 22 SER C C 173.464 0.300 1 167 22 22 SER CA C 55.901 0.300 1 168 22 22 SER CB C 66.117 0.300 1 169 22 22 SER N N 109.845 0.300 1 170 23 23 LYS H H 8.388 0.030 1 171 23 23 LYS HA H 3.324 0.030 1 172 23 23 LYS HB2 H 1.581 0.030 2 173 23 23 LYS HB3 H 1.262 0.030 2 174 23 23 LYS HD2 H 1.613 0.030 2 175 23 23 LYS HD3 H 1.663 0.030 2 176 23 23 LYS HE2 H 2.942 0.030 1 177 23 23 LYS HE3 H 2.942 0.030 1 178 23 23 LYS HG2 H 1.268 0.030 2 179 23 23 LYS HG3 H 1.143 0.030 2 180 23 23 LYS C C 178.109 0.300 1 181 23 23 LYS CA C 58.994 0.300 1 182 23 23 LYS CB C 31.895 0.300 1 183 23 23 LYS CD C 29.303 0.300 1 184 23 23 LYS CE C 42.243 0.300 1 185 23 23 LYS CG C 25.018 0.300 1 186 23 23 LYS N N 125.361 0.300 1 187 24 24 SER H H 8.217 0.030 1 188 24 24 SER HA H 3.980 0.030 1 189 24 24 SER HB2 H 3.707 0.030 1 190 24 24 SER HB3 H 3.707 0.030 1 191 24 24 SER C C 176.910 0.300 1 192 24 24 SER CA C 61.457 0.300 1 193 24 24 SER CB C 61.986 0.300 1 194 24 24 SER N N 113.056 0.300 1 195 25 25 TYR H H 7.270 0.030 1 196 25 25 TYR HA H 4.258 0.030 1 197 25 25 TYR HB2 H 3.160 0.030 2 198 25 25 TYR HB3 H 3.053 0.030 2 199 25 25 TYR HD1 H 7.217 0.030 1 200 25 25 TYR HD2 H 7.217 0.030 1 201 25 25 TYR HE1 H 6.886 0.030 1 202 25 25 TYR HE2 H 6.886 0.030 1 203 25 25 TYR C C 178.363 0.300 1 204 25 25 TYR CA C 59.989 0.300 1 205 25 25 TYR CB C 37.656 0.300 1 206 25 25 TYR CD1 C 132.264 0.300 1 207 25 25 TYR CD2 C 132.264 0.300 1 208 25 25 TYR CE1 C 118.378 0.300 1 209 25 25 TYR CE2 C 118.378 0.300 1 210 25 25 TYR N N 119.562 0.300 1 211 26 26 LEU H H 7.354 0.030 1 212 26 26 LEU HA H 3.466 0.030 1 213 26 26 LEU HB2 H 1.442 0.030 2 214 26 26 LEU HB3 H 2.154 0.030 2 215 26 26 LEU HD1 H 1.067 0.030 1 216 26 26 LEU HD2 H 1.063 0.030 1 217 26 26 LEU HG H 1.608 0.030 1 218 26 26 LEU C C 177.513 0.300 1 219 26 26 LEU CA C 58.142 0.300 1 220 26 26 LEU CB C 40.723 0.300 1 221 26 26 LEU CD1 C 22.825 0.300 2 222 26 26 LEU CD2 C 26.518 0.300 2 223 26 26 LEU CG C 27.637 0.300 1 224 26 26 LEU N N 122.537 0.300 1 225 27 27 ILE H H 8.244 0.030 1 226 27 27 ILE HA H 3.594 0.030 1 227 27 27 ILE HB H 1.881 0.030 1 228 27 27 ILE HD1 H 0.794 0.030 1 229 27 27 ILE HG12 H 1.617 0.030 2 230 27 27 ILE HG13 H 1.220 0.030 2 231 27 27 ILE HG2 H 0.868 0.030 1 232 27 27 ILE C C 179.045 0.300 1 233 27 27 ILE CA C 65.264 0.300 1 234 27 27 ILE CB C 37.650 0.300 1 235 27 27 ILE CD1 C 12.929 0.300 1 236 27 27 ILE CG1 C 29.128 0.300 1 237 27 27 ILE CG2 C 17.078 0.300 1 238 27 27 ILE N N 120.012 0.300 1 239 28 28 ILE H H 7.350 0.030 1 240 28 28 ILE HA H 3.541 0.030 1 241 28 28 ILE HB H 1.688 0.030 1 242 28 28 ILE HD1 H 0.761 0.030 1 243 28 28 ILE HG12 H 1.655 0.030 2 244 28 28 ILE HG13 H 1.086 0.030 2 245 28 28 ILE HG2 H 0.873 0.030 1 246 28 28 ILE C C 179.008 0.300 1 247 28 28 ILE CA C 65.093 0.300 1 248 28 28 ILE CB C 38.473 0.300 1 249 28 28 ILE CD1 C 13.083 0.300 1 250 28 28 ILE CG1 C 29.172 0.300 1 251 28 28 ILE CG2 C 17.127 0.300 1 252 28 28 ILE N N 119.450 0.300 1 253 29 29 HIS H H 7.774 0.030 1 254 29 29 HIS HA H 4.210 0.030 1 255 29 29 HIS HB2 H 2.704 0.030 2 256 29 29 HIS HB3 H 3.091 0.030 2 257 29 29 HIS HD2 H 7.074 0.030 1 258 29 29 HIS HE1 H 7.993 0.030 1 259 29 29 HIS C C 178.135 0.300 1 260 29 29 HIS CA C 59.320 0.300 1 261 29 29 HIS CB C 28.240 0.300 1 262 29 29 HIS CD2 C 127.834 0.300 1 263 29 29 HIS CE1 C 139.360 0.300 1 264 29 29 HIS N N 119.901 0.300 1 265 30 30 MET H H 8.859 0.030 1 266 30 30 MET HA H 4.061 0.030 1 267 30 30 MET HB2 H 2.314 0.030 2 268 30 30 MET HB3 H 2.258 0.030 2 269 30 30 MET HE H 2.280 0.030 1 270 30 30 MET HG2 H 3.057 0.030 2 271 30 30 MET HG3 H 2.963 0.030 2 272 30 30 MET C C 178.435 0.300 1 273 30 30 MET CA C 58.334 0.300 1 274 30 30 MET CB C 30.760 0.300 1 275 30 30 MET CE C 16.070 0.300 1 276 30 30 MET CG C 31.979 0.300 1 277 30 30 MET N N 119.643 0.300 1 278 31 31 ARG H H 7.334 0.030 1 279 31 31 ARG HA H 4.214 0.030 1 280 31 31 ARG HB2 H 1.962 0.030 2 281 31 31 ARG HB3 H 1.865 0.030 2 282 31 31 ARG HD2 H 3.184 0.030 1 283 31 31 ARG HD3 H 3.184 0.030 1 284 31 31 ARG HG2 H 1.923 0.030 2 285 31 31 ARG HG3 H 1.674 0.030 2 286 31 31 ARG C C 178.442 0.300 1 287 31 31 ARG CA C 58.742 0.300 1 288 31 31 ARG CB C 29.921 0.300 1 289 31 31 ARG CD C 43.827 0.300 1 290 31 31 ARG CG C 27.938 0.300 1 291 31 31 ARG N N 117.860 0.300 1 292 32 32 THR H H 7.892 0.030 1 293 32 32 THR HA H 4.129 0.030 1 294 32 32 THR HB H 3.995 0.030 1 295 32 32 THR HG2 H 1.152 0.030 1 296 32 32 THR C C 175.441 0.300 1 297 32 32 THR CA C 63.963 0.300 1 298 32 32 THR CB C 69.388 0.300 1 299 32 32 THR CG2 C 20.953 0.300 1 300 32 32 THR N N 109.787 0.300 1 301 33 33 HIS H H 7.270 0.030 1 302 33 33 HIS HA H 4.921 0.030 1 303 33 33 HIS HB2 H 3.166 0.030 2 304 33 33 HIS HB3 H 3.359 0.030 2 305 33 33 HIS HD2 H 6.783 0.030 1 306 33 33 HIS HE1 H 8.008 0.030 1 307 33 33 HIS C C 175.596 0.300 1 308 33 33 HIS CA C 55.469 0.300 1 309 33 33 HIS CB C 28.877 0.300 1 310 33 33 HIS CD2 C 127.260 0.300 1 311 33 33 HIS CE1 C 139.851 0.300 1 312 33 33 HIS N N 118.636 0.300 1 313 34 34 THR H H 7.842 0.030 1 314 34 34 THR HA H 4.377 0.030 1 315 34 34 THR HB H 4.339 0.030 1 316 34 34 THR HG2 H 1.248 0.030 1 317 34 34 THR C C 175.388 0.300 1 318 34 34 THR CA C 62.369 0.300 1 319 34 34 THR CB C 69.883 0.300 1 320 34 34 THR CG2 C 21.546 0.300 1 321 34 34 THR N N 112.003 0.300 1 322 35 35 GLY H H 8.325 0.030 1 323 35 35 GLY HA2 H 4.037 0.030 2 324 35 35 GLY HA3 H 3.961 0.030 2 325 35 35 GLY C C 174.027 0.300 1 326 35 35 GLY CA C 45.420 0.300 1 327 35 35 GLY N N 110.924 0.300 1 328 36 36 GLU H H 8.134 0.030 1 329 36 36 GLU HA H 4.252 0.030 1 330 36 36 GLU HB2 H 1.997 0.030 2 331 36 36 GLU HB3 H 1.920 0.030 2 332 36 36 GLU HG2 H 2.278 0.030 2 333 36 36 GLU HG3 H 2.224 0.030 2 334 36 36 GLU C C 176.217 0.300 1 335 36 36 GLU CA C 56.529 0.300 1 336 36 36 GLU CB C 30.526 0.300 1 337 36 36 GLU CG C 36.286 0.300 1 338 36 36 GLU N N 120.646 0.300 1 339 37 37 LYS H H 8.442 0.030 1 340 37 37 LYS HA H 4.624 0.030 1 341 37 37 LYS HB2 H 1.831 0.030 2 342 37 37 LYS HB3 H 1.734 0.030 2 343 37 37 LYS HD2 H 1.700 0.030 1 344 37 37 LYS HD3 H 1.700 0.030 1 345 37 37 LYS HE2 H 2.913 0.030 1 346 37 37 LYS HE3 H 2.913 0.030 1 347 37 37 LYS HG2 H 1.475 0.030 1 348 37 37 LYS HG3 H 1.475 0.030 1 349 37 37 LYS C C 174.470 0.300 1 350 37 37 LYS CA C 54.105 0.300 1 351 37 37 LYS CB C 32.513 0.300 1 352 37 37 LYS CD C 29.168 0.300 1 353 37 37 LYS CE C 42.077 0.300 1 354 37 37 LYS CG C 24.517 0.300 1 355 37 37 LYS N N 123.934 0.300 1 356 38 38 PRO HA H 4.472 0.030 1 357 38 38 PRO HB2 H 2.330 0.030 1 358 38 38 PRO HB3 H 2.330 0.030 1 359 38 38 PRO HD2 H 3.825 0.030 2 360 38 38 PRO HD3 H 3.659 0.030 2 361 38 38 PRO HG2 H 2.044 0.030 2 362 38 38 PRO HG3 H 2.010 0.030 2 363 38 38 PRO C C 176.963 0.300 1 364 38 38 PRO CA C 63.242 0.300 1 365 38 38 PRO CB C 32.184 0.300 1 366 38 38 PRO CD C 50.668 0.300 1 367 38 38 PRO CG C 27.423 0.300 1 368 39 39 SER H H 8.479 0.030 1 369 39 39 SER HA H 4.478 0.030 1 370 39 39 SER HB2 H 3.910 0.030 2 371 39 39 SER HB3 H 3.879 0.030 2 372 39 39 SER C C 174.643 0.300 1 373 39 39 SER CA C 58.498 0.300 1 374 39 39 SER CB C 63.958 0.300 1 375 39 39 SER N N 116.485 0.300 1 376 40 40 GLY H H 8.234 0.030 1 377 40 40 GLY HA2 H 4.173 0.030 2 378 40 40 GLY HA3 H 4.122 0.030 2 379 40 40 GLY C C 171.735 0.300 1 380 40 40 GLY CA C 44.655 0.300 1 381 40 40 GLY N N 110.650 0.300 1 382 41 41 PRO HA H 4.474 0.030 1 383 41 41 PRO HB2 H 2.318 0.030 1 384 41 41 PRO HB3 H 2.318 0.030 1 385 41 41 PRO HD2 H 3.641 0.030 1 386 41 41 PRO HD3 H 3.641 0.030 1 387 41 41 PRO HG2 H 2.030 0.030 1 388 41 41 PRO HG3 H 2.030 0.030 1 389 41 41 PRO CA C 63.258 0.300 1 390 41 41 PRO CB C 32.111 0.300 1 391 41 41 PRO CD C 49.860 0.300 1 392 41 41 PRO CG C 27.222 0.300 1 stop_ save_