data_10220 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 397-429) of human Zinc finger protein 95 homolog ; _BMRB_accession_number 10220 _BMRB_flat_file_name bmr10220.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" 210 "13C chemical shifts" 151 "15N chemical shifts" 33 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 397-429) of human Zinc finger protein 95 homolog ; _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 95 homolog' _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 46 _Mol_residue_sequence ; GSSGSSGTGEKPYKCQVCGK AFRVSSHLVQHHSVHSGERP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 LYS 15 CYS 16 GLN 17 VAL 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ARG 24 VAL 25 SER 26 SER 27 HIS 28 LEU 29 VAL 30 GLN 31 HIS 32 HIS 33 SER 34 VAL 35 HIS 36 SER 37 GLY 38 GLU 39 ARG 40 PRO 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2EON "Solution Structure Of The C2h2 Type Zinc Finger (Region 397- 429) Of Human Zinc Finger Protein 95 Homolog" 100.00 46 100.00 100.00 4.05e-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 P061225-12 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 4.033 0.030 1 2 7 7 GLY HA3 H 4.033 0.030 1 3 7 7 GLY C C 174.569 0.300 1 4 7 7 GLY CA C 45.511 0.300 1 5 8 8 THR H H 8.149 0.030 1 6 8 8 THR HA H 4.347 0.030 1 7 8 8 THR HB H 4.283 0.030 1 8 8 8 THR HG2 H 1.185 0.030 1 9 8 8 THR C C 175.234 0.300 1 10 8 8 THR CA C 61.859 0.300 1 11 8 8 THR CB C 69.813 0.300 1 12 8 8 THR CG2 C 21.540 0.300 1 13 8 8 THR N N 112.732 0.300 1 14 9 9 GLY H H 8.453 0.030 1 15 9 9 GLY HA2 H 3.962 0.030 2 16 9 9 GLY HA3 H 3.910 0.030 2 17 9 9 GLY C C 174.022 0.300 1 18 9 9 GLY CA C 45.333 0.300 1 19 9 9 GLY N N 110.884 0.300 1 20 10 10 GLU H H 8.181 0.030 1 21 10 10 GLU HA H 4.169 0.030 1 22 10 10 GLU HB2 H 1.961 0.030 2 23 10 10 GLU HB3 H 1.882 0.030 2 24 10 10 GLU HG2 H 2.194 0.030 1 25 10 10 GLU HG3 H 2.194 0.030 1 26 10 10 GLU C C 176.268 0.300 1 27 10 10 GLU CA C 56.763 0.300 1 28 10 10 GLU CB C 30.508 0.300 1 29 10 10 GLU CG C 36.256 0.300 1 30 10 10 GLU N N 120.209 0.300 1 31 11 11 LYS H H 8.281 0.030 1 32 11 11 LYS HA H 4.497 0.030 1 33 11 11 LYS HB2 H 1.570 0.030 2 34 11 11 LYS HB3 H 1.312 0.030 2 35 11 11 LYS HD2 H 1.464 0.030 1 36 11 11 LYS HD3 H 1.464 0.030 1 37 11 11 LYS HE2 H 2.882 0.030 1 38 11 11 LYS HE3 H 2.882 0.030 1 39 11 11 LYS HG2 H 1.024 0.030 2 40 11 11 LYS HG3 H 1.345 0.030 2 41 11 11 LYS C C 174.193 0.300 1 42 11 11 LYS CA C 53.986 0.300 1 43 11 11 LYS CB C 33.388 0.300 1 44 11 11 LYS CD C 29.943 0.300 1 45 11 11 LYS CE C 42.236 0.300 1 46 11 11 LYS CG C 25.600 0.300 1 47 11 11 LYS N N 121.517 0.300 1 48 12 12 PRO HA H 4.228 0.030 1 49 12 12 PRO HB2 H 1.979 0.030 2 50 12 12 PRO HB3 H 1.090 0.030 2 51 12 12 PRO HD2 H 3.688 0.030 1 52 12 12 PRO HD3 H 3.688 0.030 1 53 12 12 PRO HG2 H 1.758 0.030 2 54 12 12 PRO HG3 H 1.469 0.030 2 55 12 12 PRO C C 176.683 0.300 1 56 12 12 PRO CA C 63.784 0.300 1 57 12 12 PRO CB C 32.369 0.300 1 58 12 12 PRO CD C 50.490 0.300 1 59 12 12 PRO CG C 26.501 0.300 1 60 13 13 TYR H H 7.625 0.030 1 61 13 13 TYR HA H 4.660 0.030 1 62 13 13 TYR HB2 H 2.846 0.030 2 63 13 13 TYR HB3 H 2.999 0.030 2 64 13 13 TYR HD1 H 6.972 0.030 1 65 13 13 TYR HD2 H 6.972 0.030 1 66 13 13 TYR HE1 H 6.884 0.030 1 67 13 13 TYR HE2 H 6.884 0.030 1 68 13 13 TYR C C 174.316 0.300 1 69 13 13 TYR CA C 57.467 0.300 1 70 13 13 TYR CB C 38.002 0.300 1 71 13 13 TYR CD1 C 133.206 0.300 1 72 13 13 TYR CD2 C 133.206 0.300 1 73 13 13 TYR CE1 C 118.524 0.300 1 74 13 13 TYR CE2 C 118.524 0.300 1 75 13 13 TYR N N 118.216 0.300 1 76 14 14 LYS H H 8.546 0.030 1 77 14 14 LYS HA H 4.958 0.030 1 78 14 14 LYS HB2 H 1.616 0.030 1 79 14 14 LYS HB3 H 1.616 0.030 1 80 14 14 LYS HD2 H 1.593 0.030 1 81 14 14 LYS HD3 H 1.593 0.030 1 82 14 14 LYS HE2 H 2.945 0.030 1 83 14 14 LYS HE3 H 2.945 0.030 1 84 14 14 LYS HG2 H 1.190 0.030 2 85 14 14 LYS HG3 H 1.162 0.030 2 86 14 14 LYS C C 175.292 0.300 1 87 14 14 LYS CA C 55.108 0.300 1 88 14 14 LYS CB C 35.439 0.300 1 89 14 14 LYS CD C 29.424 0.300 1 90 14 14 LYS CE C 42.121 0.300 1 91 14 14 LYS CG C 24.905 0.300 1 92 14 14 LYS N N 125.098 0.300 1 93 15 15 CYS H H 9.372 0.030 1 94 15 15 CYS HA H 4.607 0.030 1 95 15 15 CYS HB2 H 2.887 0.030 2 96 15 15 CYS HB3 H 3.387 0.030 2 97 15 15 CYS C C 177.767 0.300 1 98 15 15 CYS CA C 59.867 0.300 1 99 15 15 CYS CB C 29.766 0.300 1 100 15 15 CYS N N 127.555 0.300 1 101 16 16 GLN H H 9.804 0.030 1 102 16 16 GLN HA H 4.188 0.030 1 103 16 16 GLN HB2 H 2.296 0.030 2 104 16 16 GLN HB3 H 2.128 0.030 2 105 16 16 GLN HE21 H 6.946 0.030 2 106 16 16 GLN HE22 H 7.524 0.030 2 107 16 16 GLN HG2 H 2.554 0.030 1 108 16 16 GLN HG3 H 2.554 0.030 1 109 16 16 GLN C C 175.874 0.300 1 110 16 16 GLN CA C 57.670 0.300 1 111 16 16 GLN CB C 28.775 0.300 1 112 16 16 GLN CG C 34.121 0.300 1 113 16 16 GLN N N 131.405 0.300 1 114 16 16 GLN NE2 N 112.659 0.300 1 115 17 17 VAL H H 9.009 0.030 1 116 17 17 VAL HA H 3.779 0.030 1 117 17 17 VAL HB H 1.232 0.030 1 118 17 17 VAL HG1 H 0.805 0.030 1 119 17 17 VAL HG2 H 0.316 0.030 1 120 17 17 VAL C C 177.068 0.300 1 121 17 17 VAL CA C 65.146 0.300 1 122 17 17 VAL CB C 32.795 0.300 1 123 17 17 VAL CG1 C 21.226 0.300 2 124 17 17 VAL CG2 C 20.258 0.300 2 125 17 17 VAL N N 121.843 0.300 1 126 18 18 CYS H H 8.265 0.030 1 127 18 18 CYS HA H 5.152 0.030 1 128 18 18 CYS HB2 H 3.486 0.030 2 129 18 18 CYS HB3 H 2.805 0.030 2 130 18 18 CYS C C 176.385 0.300 1 131 18 18 CYS CA C 58.209 0.300 1 132 18 18 CYS CB C 33.029 0.300 1 133 18 18 CYS N N 116.001 0.300 1 134 19 19 GLY H H 7.873 0.030 1 135 19 19 GLY HA2 H 4.264 0.030 2 136 19 19 GLY HA3 H 3.769 0.030 2 137 19 19 GLY C C 173.353 0.300 1 138 19 19 GLY CA C 46.218 0.300 1 139 19 19 GLY N N 113.243 0.300 1 140 20 20 LYS H H 8.152 0.030 1 141 20 20 LYS HA H 3.894 0.030 1 142 20 20 LYS HB2 H 1.575 0.030 2 143 20 20 LYS HB3 H 1.107 0.030 2 144 20 20 LYS HD2 H 1.357 0.030 2 145 20 20 LYS HD3 H 1.538 0.030 2 146 20 20 LYS HE2 H 2.921 0.030 2 147 20 20 LYS HE3 H 2.754 0.030 2 148 20 20 LYS HG2 H 1.120 0.030 2 149 20 20 LYS HG3 H 0.841 0.030 2 150 20 20 LYS C C 173.528 0.300 1 151 20 20 LYS CA C 58.349 0.300 1 152 20 20 LYS CB C 33.384 0.300 1 153 20 20 LYS CD C 29.206 0.300 1 154 20 20 LYS CE C 42.150 0.300 1 155 20 20 LYS CG C 25.788 0.300 1 156 20 20 LYS N N 124.409 0.300 1 157 21 21 ALA H H 7.969 0.030 1 158 21 21 ALA HA H 5.197 0.030 1 159 21 21 ALA HB H 1.226 0.030 1 160 21 21 ALA C C 175.930 0.300 1 161 21 21 ALA CA C 50.190 0.300 1 162 21 21 ALA CB C 22.551 0.300 1 163 21 21 ALA N N 126.194 0.300 1 164 22 22 PHE H H 8.822 0.030 1 165 22 22 PHE HA H 4.845 0.030 1 166 22 22 PHE HB2 H 2.712 0.030 2 167 22 22 PHE HB3 H 3.462 0.030 2 168 22 22 PHE HD1 H 7.330 0.030 1 169 22 22 PHE HD2 H 7.330 0.030 1 170 22 22 PHE HE1 H 6.857 0.030 1 171 22 22 PHE HE2 H 6.857 0.030 1 172 22 22 PHE HZ H 6.374 0.030 1 173 22 22 PHE C C 175.249 0.300 1 174 22 22 PHE CA C 57.103 0.300 1 175 22 22 PHE CB C 43.663 0.300 1 176 22 22 PHE CD1 C 132.656 0.300 1 177 22 22 PHE CD2 C 132.656 0.300 1 178 22 22 PHE CE1 C 130.676 0.300 1 179 22 22 PHE CE2 C 130.676 0.300 1 180 22 22 PHE CZ C 128.741 0.300 1 181 22 22 PHE N N 116.525 0.300 1 182 23 23 ARG H H 9.561 0.030 1 183 23 23 ARG HA H 4.491 0.030 1 184 23 23 ARG HB2 H 2.088 0.030 2 185 23 23 ARG HB3 H 1.995 0.030 2 186 23 23 ARG HD2 H 3.345 0.030 2 187 23 23 ARG HD3 H 3.307 0.030 2 188 23 23 ARG HG2 H 1.862 0.030 2 189 23 23 ARG HG3 H 1.815 0.030 2 190 23 23 ARG C C 175.729 0.300 1 191 23 23 ARG CA C 58.561 0.300 1 192 23 23 ARG CB C 31.997 0.300 1 193 23 23 ARG CD C 43.205 0.300 1 194 23 23 ARG CG C 28.776 0.300 1 195 23 23 ARG N N 120.820 0.300 1 196 24 24 VAL H H 7.327 0.030 1 197 24 24 VAL HA H 4.446 0.030 1 198 24 24 VAL HB H 1.452 0.030 1 199 24 24 VAL HG1 H 0.800 0.030 1 200 24 24 VAL HG2 H 0.622 0.030 1 201 24 24 VAL C C 176.671 0.300 1 202 24 24 VAL CA C 59.921 0.300 1 203 24 24 VAL CB C 34.347 0.300 1 204 24 24 VAL CG1 C 21.872 0.300 2 205 24 24 VAL CG2 C 19.771 0.300 2 206 24 24 VAL N N 112.687 0.300 1 207 25 25 SER H H 8.506 0.030 1 208 25 25 SER HA H 2.942 0.030 1 209 25 25 SER HB2 H 3.138 0.030 2 210 25 25 SER HB3 H 3.272 0.030 2 211 25 25 SER CA C 61.633 0.300 1 212 25 25 SER CB C 61.752 0.300 1 213 25 25 SER N N 123.315 0.300 1 214 26 26 SER HA H 3.990 0.030 1 215 26 26 SER HB2 H 3.854 0.030 1 216 26 26 SER HB3 H 3.854 0.030 1 217 26 26 SER CA C 61.102 0.300 1 218 26 26 SER CB C 61.860 0.300 1 219 27 27 HIS H H 7.148 0.030 1 220 27 27 HIS HA H 4.405 0.030 1 221 27 27 HIS HB2 H 3.267 0.030 2 222 27 27 HIS HB3 H 3.085 0.030 2 223 27 27 HIS HD2 H 6.970 0.030 1 224 27 27 HIS HE1 H 7.894 0.030 1 225 27 27 HIS CA C 56.698 0.300 1 226 27 27 HIS CB C 30.201 0.300 1 227 27 27 HIS CD2 C 117.376 0.300 1 228 27 27 HIS CE1 C 138.336 0.300 1 229 27 27 HIS N N 120.679 0.300 1 230 28 28 LEU H H 6.828 0.030 1 231 28 28 LEU HA H 3.317 0.030 1 232 28 28 LEU HB2 H 2.011 0.030 2 233 28 28 LEU HB3 H 1.198 0.030 2 234 28 28 LEU HD1 H 1.006 0.030 1 235 28 28 LEU HD2 H 1.047 0.030 1 236 28 28 LEU HG H 1.419 0.030 1 237 28 28 LEU C C 176.993 0.300 1 238 28 28 LEU CA C 57.560 0.300 1 239 28 28 LEU CB C 39.868 0.300 1 240 28 28 LEU CD1 C 22.484 0.300 2 241 28 28 LEU CD2 C 26.341 0.300 2 242 28 28 LEU CG C 27.422 0.300 1 243 28 28 LEU N N 121.970 0.300 1 244 29 29 VAL H H 7.609 0.030 1 245 29 29 VAL HA H 3.462 0.030 1 246 29 29 VAL HB H 2.000 0.030 1 247 29 29 VAL HG1 H 0.958 0.030 1 248 29 29 VAL HG2 H 0.910 0.030 1 249 29 29 VAL C C 179.326 0.300 1 250 29 29 VAL CA C 66.493 0.300 1 251 29 29 VAL CB C 31.478 0.300 1 252 29 29 VAL CG1 C 22.490 0.300 2 253 29 29 VAL CG2 C 21.051 0.300 2 254 29 29 VAL N N 118.483 0.300 1 255 30 30 GLN H H 7.549 0.030 1 256 30 30 GLN HA H 4.023 0.030 1 257 30 30 GLN HB2 H 2.042 0.030 1 258 30 30 GLN HB3 H 2.042 0.030 1 259 30 30 GLN HE21 H 7.396 0.030 2 260 30 30 GLN HE22 H 6.831 0.030 2 261 30 30 GLN HG2 H 2.449 0.030 2 262 30 30 GLN HG3 H 2.406 0.030 2 263 30 30 GLN C C 177.980 0.300 1 264 30 30 GLN CA C 58.484 0.300 1 265 30 30 GLN CB C 28.527 0.300 1 266 30 30 GLN CG C 33.837 0.300 1 267 30 30 GLN N N 117.542 0.300 1 268 30 30 GLN NE2 N 111.737 0.300 1 269 31 31 HIS H H 7.580 0.030 1 270 31 31 HIS HA H 4.246 0.030 1 271 31 31 HIS HB2 H 3.337 0.030 2 272 31 31 HIS HB3 H 2.969 0.030 2 273 31 31 HIS HD2 H 7.058 0.030 1 274 31 31 HIS HE1 H 8.024 0.030 1 275 31 31 HIS C C 175.449 0.300 1 276 31 31 HIS CA C 58.704 0.300 1 277 31 31 HIS CB C 28.598 0.300 1 278 31 31 HIS CD2 C 127.382 0.300 1 279 31 31 HIS CE1 C 139.712 0.300 1 280 31 31 HIS N N 119.448 0.300 1 281 32 32 HIS H H 7.954 0.030 1 282 32 32 HIS HA H 4.254 0.030 1 283 32 32 HIS HB2 H 3.366 0.030 2 284 32 32 HIS HB3 H 3.205 0.030 2 285 32 32 HIS HD2 H 7.263 0.030 1 286 32 32 HIS HE1 H 7.893 0.030 1 287 32 32 HIS C C 177.828 0.300 1 288 32 32 HIS CA C 59.496 0.300 1 289 32 32 HIS CB C 30.445 0.300 1 290 32 32 HIS CD2 C 120.139 0.300 1 291 32 32 HIS CE1 C 138.344 0.300 1 292 32 32 HIS N N 116.367 0.300 1 293 33 33 SER H H 7.525 0.030 1 294 33 33 SER HA H 4.227 0.030 1 295 33 33 SER HB2 H 3.957 0.030 1 296 33 33 SER HB3 H 3.957 0.030 1 297 33 33 SER C C 176.339 0.300 1 298 33 33 SER CA C 61.325 0.300 1 299 33 33 SER CB C 63.097 0.300 1 300 33 33 SER N N 113.090 0.300 1 301 34 34 VAL H H 7.958 0.030 1 302 34 34 VAL HA H 3.890 0.030 1 303 34 34 VAL HB H 1.770 0.030 1 304 34 34 VAL HG1 H 0.626 0.030 1 305 34 34 VAL HG2 H 0.429 0.030 1 306 34 34 VAL C C 177.101 0.300 1 307 34 34 VAL CA C 64.137 0.300 1 308 34 34 VAL CB C 31.047 0.300 1 309 34 34 VAL CG1 C 20.022 0.300 2 310 34 34 VAL CG2 C 19.719 0.300 2 311 34 34 VAL N N 119.960 0.300 1 312 35 35 HIS H H 7.191 0.030 1 313 35 35 HIS HA H 4.945 0.030 1 314 35 35 HIS HB2 H 3.366 0.030 2 315 35 35 HIS HB3 H 3.099 0.030 2 316 35 35 HIS HD2 H 6.779 0.030 1 317 35 35 HIS HE1 H 8.082 0.030 1 318 35 35 HIS C C 175.350 0.300 1 319 35 35 HIS CA C 54.443 0.300 1 320 35 35 HIS CB C 28.590 0.300 1 321 35 35 HIS CD2 C 127.609 0.300 1 322 35 35 HIS CE1 C 140.324 0.300 1 323 35 35 HIS N N 116.514 0.300 1 324 36 36 SER H H 7.762 0.030 1 325 36 36 SER HA H 4.393 0.030 1 326 36 36 SER HB2 H 3.942 0.030 2 327 36 36 SER HB3 H 3.861 0.030 2 328 36 36 SER C C 175.126 0.300 1 329 36 36 SER CA C 59.210 0.300 1 330 36 36 SER CB C 63.861 0.300 1 331 36 36 SER N N 115.134 0.300 1 332 37 37 GLY H H 8.425 0.030 1 333 37 37 GLY HA2 H 3.964 0.030 2 334 37 37 GLY HA3 H 3.907 0.030 2 335 37 37 GLY C C 174.055 0.300 1 336 37 37 GLY CA C 45.265 0.300 1 337 37 37 GLY N N 110.975 0.300 1 338 38 38 GLU H H 8.081 0.030 1 339 38 38 GLU HA H 4.274 0.030 1 340 38 38 GLU HB2 H 2.018 0.030 2 341 38 38 GLU HB3 H 1.924 0.030 2 342 38 38 GLU HG2 H 2.260 0.030 2 343 38 38 GLU HG3 H 2.225 0.030 2 344 38 38 GLU C C 176.219 0.300 1 345 38 38 GLU CA C 56.377 0.300 1 346 38 38 GLU CB C 30.527 0.300 1 347 38 38 GLU CG C 36.342 0.300 1 348 38 38 GLU N N 120.346 0.300 1 349 39 39 ARG H H 8.425 0.030 1 350 39 39 ARG HA H 4.625 0.030 1 351 39 39 ARG HB2 H 1.831 0.030 2 352 39 39 ARG HB3 H 1.729 0.030 2 353 39 39 ARG HD2 H 3.202 0.030 1 354 39 39 ARG HD3 H 3.202 0.030 1 355 39 39 ARG HG2 H 1.660 0.030 1 356 39 39 ARG HG3 H 1.660 0.030 1 357 39 39 ARG C C 174.184 0.300 1 358 39 39 ARG CA C 53.852 0.300 1 359 39 39 ARG CB C 30.221 0.300 1 360 39 39 ARG CD C 43.344 0.300 1 361 39 39 ARG CG C 26.865 0.300 1 362 39 39 ARG N N 123.241 0.300 1 363 40 40 PRO HA H 4.466 0.030 1 364 40 40 PRO HB2 H 2.304 0.030 2 365 40 40 PRO HB3 H 1.933 0.030 2 366 40 40 PRO HD2 H 3.800 0.030 2 367 40 40 PRO HD3 H 3.622 0.030 2 368 40 40 PRO HG2 H 2.012 0.030 1 369 40 40 PRO HG3 H 2.012 0.030 1 370 40 40 PRO CA C 63.232 0.300 1 371 40 40 PRO CB C 32.199 0.300 1 372 40 40 PRO CD C 50.684 0.300 1 373 40 40 PRO CG C 27.343 0.300 1 374 41 41 SER H H 8.477 0.030 1 375 41 41 SER HA H 4.465 0.030 1 376 41 41 SER HB2 H 3.914 0.030 1 377 41 41 SER HB3 H 3.914 0.030 1 378 41 41 SER CA C 63.248 0.300 1 379 41 41 SER CB C 63.863 0.300 1 380 41 41 SER N N 116.446 0.300 1 381 42 42 GLY HA2 H 4.150 0.030 2 382 42 42 GLY HA3 H 4.111 0.030 2 383 42 42 GLY CA C 44.694 0.300 1 384 43 43 PRO HA H 4.466 0.030 1 385 43 43 PRO HB2 H 2.304 0.030 1 386 43 43 PRO HB3 H 2.304 0.030 1 387 43 43 PRO HD2 H 3.622 0.030 1 388 43 43 PRO HD3 H 3.622 0.030 1 389 43 43 PRO HG2 H 2.010 0.030 1 390 43 43 PRO HG3 H 2.010 0.030 1 391 43 43 PRO CA C 63.257 0.300 1 392 43 43 PRO CB C 32.200 0.300 1 393 43 43 PRO CD C 49.835 0.300 1 394 43 43 PRO CG C 27.219 0.300 1 stop_ save_