data_10187 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 479-511) of human Zinc finger protein 224 ; _BMRB_accession_number 10187 _BMRB_flat_file_name bmr10187.str _Entry_type original _Submission_date 2008-02-06 _Accession_date 2008-02-07 _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 Tomizawa T. . . 2 Tochio N. . . 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" 214 "13C chemical shifts" 154 "15N chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-11-13 original author . stop_ _Original_release_date 2013-11-13 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 479-511) of human Zinc finger protein 224 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger protein 224' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2, UNP residues 479-511' $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'zf-C2H2, UNP residues 479-511' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSGEKPFQCEECGK RFTQNSHLHSHQRVHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLY 10 GLU 11 LYS 12 PRO 13 PHE 14 GLN 15 CYS 16 GLU 17 GLU 18 CYS 19 GLY 20 LYS 21 ARG 22 PHE 23 THR 24 GLN 25 ASN 26 SER 27 HIS 28 LEU 29 HIS 30 SER 31 HIS 32 GLN 33 ARG 34 VAL 35 HIS 36 THR 37 GLY 38 GLU 39 LYS 40 PRO 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 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 2YTH "Solution Structure Of The C2h2 Type Zinc Finger (Region 479- 511) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 2.12e-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 P061225-42 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 0.050 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 700 _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 298 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, UNP residues 479-511' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 9 9 GLY CA C 45.161 0.300 1 2 9 9 GLY HA2 H 3.930 0.030 2 3 9 9 GLY C C 174.105 0.300 1 4 10 10 GLU N N 120.165 0.300 1 5 10 10 GLU H H 8.176 0.030 1 6 10 10 GLU CA C 56.826 0.300 1 7 10 10 GLU HA H 4.181 0.030 1 8 10 10 GLU CB C 30.258 0.300 1 9 10 10 GLU HB2 H 1.934 0.030 2 10 10 10 GLU HB3 H 1.963 0.030 2 11 10 10 GLU CG C 36.266 0.300 1 12 10 10 GLU HG2 H 2.218 0.030 1 13 10 10 GLU HG3 H 2.218 0.030 1 14 10 10 GLU C C 176.388 0.300 1 15 11 11 LYS N N 121.439 0.300 1 16 11 11 LYS H H 8.315 0.030 1 17 11 11 LYS CA C 53.977 0.300 1 18 11 11 LYS HA H 4.539 0.030 1 19 11 11 LYS CB C 33.584 0.300 1 20 11 11 LYS HB2 H 1.458 0.030 2 21 11 11 LYS HB3 H 1.616 0.030 2 22 11 11 LYS CG C 24.970 0.300 1 23 11 11 LYS HG2 H 1.185 0.030 2 24 11 11 LYS HG3 H 1.324 0.030 2 25 11 11 LYS CD C 29.781 0.300 1 26 11 11 LYS HD2 H 1.456 0.030 1 27 11 11 LYS HD3 H 1.456 0.030 1 28 11 11 LYS CE C 42.296 0.300 1 29 11 11 LYS HE2 H 2.886 0.030 1 30 11 11 LYS HE3 H 2.886 0.030 1 31 11 11 LYS C C 174.251 0.300 1 32 12 12 PRO CA C 63.666 0.300 1 33 12 12 PRO HA H 4.244 0.030 1 34 12 12 PRO CB C 32.293 0.300 1 35 12 12 PRO HB2 H 1.193 0.030 2 36 12 12 PRO HB3 H 1.998 0.030 2 37 12 12 PRO CG C 26.656 0.300 1 38 12 12 PRO HG2 H 1.596 0.030 2 39 12 12 PRO HG3 H 1.781 0.030 2 40 12 12 PRO CD C 50.494 0.300 1 41 12 12 PRO HD2 H 3.671 0.030 1 42 12 12 PRO HD3 H 3.671 0.030 1 43 12 12 PRO C C 176.348 0.300 1 44 13 13 PHE N N 117.694 0.300 1 45 13 13 PHE H H 7.752 0.030 1 46 13 13 PHE CA C 57.418 0.300 1 47 13 13 PHE HA H 4.709 0.030 1 48 13 13 PHE CB C 39.785 0.300 1 49 13 13 PHE HB2 H 3.047 0.030 2 50 13 13 PHE HB3 H 2.840 0.030 2 51 13 13 PHE CD1 C 131.826 0.300 1 52 13 13 PHE HD1 H 7.069 0.030 1 53 13 13 PHE CD2 C 131.826 0.300 1 54 13 13 PHE HD2 H 7.069 0.030 1 55 13 13 PHE CE1 C 131.632 0.300 1 56 13 13 PHE HE1 H 7.375 0.030 1 57 13 13 PHE CE2 C 131.632 0.300 1 58 13 13 PHE HE2 H 7.375 0.030 1 59 13 13 PHE CZ C 130.196 0.300 1 60 13 13 PHE HZ H 7.360 0.030 1 61 13 13 PHE C C 174.405 0.300 1 62 14 14 GLN N N 124.070 0.300 1 63 14 14 GLN H H 8.923 0.030 1 64 14 14 GLN CA C 54.279 0.300 1 65 14 14 GLN HA H 5.160 0.030 1 66 14 14 GLN CB C 32.341 0.300 1 67 14 14 GLN HB2 H 2.008 0.030 2 68 14 14 GLN HB3 H 1.650 0.030 2 69 14 14 GLN CG C 33.580 0.300 1 70 14 14 GLN HG2 H 1.994 0.030 1 71 14 14 GLN HG3 H 1.994 0.030 1 72 14 14 GLN NE2 N 111.933 0.300 1 73 14 14 GLN HE21 H 6.764 0.030 2 74 14 14 GLN HE22 H 7.628 0.030 2 75 14 14 GLN C C 173.888 0.300 1 76 15 15 CYS N N 117.013 0.300 1 77 15 15 CYS H H 9.281 0.030 1 78 15 15 CYS CA C 59.545 0.300 1 79 15 15 CYS HA H 4.571 0.030 1 80 15 15 CYS CB C 29.720 0.300 1 81 15 15 CYS HB2 H 3.390 0.030 2 82 15 15 CYS HB3 H 2.884 0.030 2 83 15 15 CYS C C 177.248 0.300 1 84 16 16 GLU N N 121.917 0.300 1 85 16 16 GLU H H 9.724 0.030 1 86 16 16 GLU CA C 58.765 0.300 1 87 16 16 GLU HA H 4.143 0.030 1 88 16 16 GLU CB C 29.678 0.300 1 89 16 16 GLU HB2 H 2.159 0.030 2 90 16 16 GLU HB3 H 2.085 0.030 2 91 16 16 GLU CG C 36.506 0.300 1 92 16 16 GLU HG2 H 2.350 0.030 2 93 16 16 GLU HG3 H 2.440 0.030 2 94 16 16 GLU C C 177.332 0.300 1 95 17 17 GLU N N 125.342 0.300 1 96 17 17 GLU H H 7.948 0.030 1 97 17 17 GLU CA C 58.478 0.300 1 98 17 17 GLU HA H 4.195 0.030 1 99 17 17 GLU CB C 29.553 0.300 1 100 17 17 GLU HB2 H 1.317 0.030 2 101 17 17 GLU HB3 H 1.444 0.030 2 102 17 17 GLU CG C 35.528 0.300 1 103 17 17 GLU HG2 H 1.716 0.030 2 104 17 17 GLU HG3 H 1.870 0.030 2 105 17 17 GLU C C 176.702 0.300 1 106 18 18 CYS N N 120.318 0.300 1 107 18 18 CYS H H 8.582 0.030 1 108 18 18 CYS CA C 58.297 0.300 1 109 18 18 CYS HA H 5.188 0.030 1 110 18 18 CYS CB C 32.633 0.300 1 111 18 18 CYS HB2 H 3.451 0.030 2 112 18 18 CYS HB3 H 2.855 0.030 2 113 18 18 CYS C C 176.394 0.300 1 114 19 19 GLY N N 113.672 0.300 1 115 19 19 GLY H H 8.197 0.030 1 116 19 19 GLY CA C 46.144 0.300 1 117 19 19 GLY HA2 H 4.273 0.030 2 118 19 19 GLY HA3 H 3.815 0.030 2 119 19 19 GLY C C 174.170 0.300 1 120 20 20 LYS N N 123.697 0.300 1 121 20 20 LYS H H 8.041 0.030 1 122 20 20 LYS CA C 58.531 0.300 1 123 20 20 LYS HA H 3.945 0.030 1 124 20 20 LYS CB C 33.689 0.300 1 125 20 20 LYS HB2 H 1.439 0.030 2 126 20 20 LYS HB3 H 1.217 0.030 2 127 20 20 LYS CG C 26.407 0.300 1 128 20 20 LYS HG2 H 1.055 0.030 2 129 20 20 LYS HG3 H 1.447 0.030 2 130 20 20 LYS CD C 29.401 0.300 1 131 20 20 LYS HD2 H 1.482 0.030 2 132 20 20 LYS HD3 H 1.424 0.030 2 133 20 20 LYS CE C 42.187 0.300 1 134 20 20 LYS HE2 H 2.976 0.030 2 135 20 20 LYS HE3 H 2.925 0.030 2 136 20 20 LYS C C 174.434 0.300 1 137 21 21 ARG N N 119.834 0.300 1 138 21 21 ARG H H 7.850 0.030 1 139 21 21 ARG CA C 54.746 0.300 1 140 21 21 ARG HA H 5.181 0.030 1 141 21 21 ARG CB C 33.630 0.300 1 142 21 21 ARG HB2 H 1.822 0.030 2 143 21 21 ARG HB3 H 1.429 0.030 2 144 21 21 ARG CG C 28.577 0.300 1 145 21 21 ARG HG2 H 1.280 0.030 2 146 21 21 ARG HG3 H 1.771 0.030 2 147 21 21 ARG CD C 43.310 0.300 1 148 21 21 ARG HD2 H 3.185 0.030 1 149 21 21 ARG HD3 H 3.185 0.030 1 150 21 21 ARG C C 175.430 0.300 1 151 22 22 PHE N N 116.396 0.300 1 152 22 22 PHE H H 8.788 0.030 1 153 22 22 PHE CA C 57.095 0.300 1 154 22 22 PHE HA H 4.895 0.030 1 155 22 22 PHE CB C 44.347 0.300 1 156 22 22 PHE HB2 H 3.550 0.030 2 157 22 22 PHE HB3 H 2.628 0.030 2 158 22 22 PHE CD1 C 132.398 0.300 1 159 22 22 PHE HD1 H 7.205 0.030 1 160 22 22 PHE CD2 C 132.398 0.300 1 161 22 22 PHE HD2 H 7.205 0.030 1 162 22 22 PHE CE1 C 130.773 0.300 1 163 22 22 PHE HE1 H 6.864 0.030 1 164 22 22 PHE CE2 C 130.773 0.300 1 165 22 22 PHE HE2 H 6.864 0.030 1 166 22 22 PHE CZ C 128.773 0.300 1 167 22 22 PHE HZ H 6.096 0.030 1 168 22 22 PHE C C 175.617 0.300 1 169 23 23 THR N N 112.933 0.300 1 170 23 23 THR H H 9.631 0.030 1 171 23 23 THR CA C 64.070 0.300 1 172 23 23 THR HA H 4.522 0.030 1 173 23 23 THR CB C 69.777 0.300 1 174 23 23 THR HB H 4.481 0.030 1 175 23 23 THR CG2 C 22.836 0.300 1 176 23 23 THR HG2 H 1.439 0.030 1 177 23 23 THR C C 174.715 0.300 1 178 24 24 GLN N N 115.100 0.300 1 179 24 24 GLN H H 7.065 0.030 1 180 24 24 GLN CA C 53.879 0.300 1 181 24 24 GLN HA H 4.636 0.030 1 182 24 24 GLN CB C 31.873 0.300 1 183 24 24 GLN HB2 H 1.926 0.030 2 184 24 24 GLN HB3 H 0.882 0.030 2 185 24 24 GLN CG C 33.318 0.300 1 186 24 24 GLN HG2 H 2.087 0.030 2 187 24 24 GLN HG3 H 2.171 0.030 2 188 24 24 GLN NE2 N 111.687 0.300 1 189 24 24 GLN HE21 H 6.830 0.030 2 190 24 24 GLN HE22 H 7.298 0.030 2 191 24 24 GLN C C 175.862 0.300 1 192 25 25 ASN CA C 55.617 0.300 1 193 25 25 ASN HA H 3.376 0.030 1 194 25 25 ASN CB C 38.001 0.300 1 195 25 25 ASN HB2 H 2.002 0.030 2 196 25 25 ASN HB3 H 2.235 0.030 2 197 25 25 ASN ND2 N 111.001 0.300 1 198 25 25 ASN HD21 H 6.694 0.030 2 199 25 25 ASN HD22 H 7.119 0.030 2 200 26 26 SER CA C 60.922 0.300 1 201 26 26 SER HA H 4.009 0.030 1 202 26 26 SER CB C 61.595 0.300 1 203 26 26 SER HB2 H 3.827 0.030 1 204 26 26 SER HB3 H 3.827 0.030 1 205 26 26 SER C C 177.198 0.300 1 206 27 27 HIS N N 121.685 0.300 1 207 27 27 HIS H H 6.680 0.030 1 208 27 27 HIS CA C 56.723 0.300 1 209 27 27 HIS HA H 4.500 0.030 1 210 27 27 HIS CB C 31.798 0.300 1 211 27 27 HIS HB2 H 3.267 0.030 2 212 27 27 HIS HB3 H 3.306 0.030 2 213 27 27 HIS CD2 C 117.023 0.300 1 214 27 27 HIS HD2 H 6.968 0.030 1 215 27 27 HIS CE1 C 139.118 0.300 1 216 27 27 HIS HE1 H 7.755 0.030 1 217 27 27 HIS C C 178.161 0.300 1 218 28 28 LEU N N 121.741 0.300 1 219 28 28 LEU H H 6.910 0.030 1 220 28 28 LEU CA C 57.762 0.300 1 221 28 28 LEU HA H 3.087 0.030 1 222 28 28 LEU CB C 40.341 0.300 1 223 28 28 LEU HB2 H 1.978 0.030 2 224 28 28 LEU HB3 H 1.105 0.030 2 225 28 28 LEU CG C 27.569 0.300 1 226 28 28 LEU HG H 1.463 0.030 1 227 28 28 LEU CD1 C 26.502 0.300 2 228 28 28 LEU HD1 H 1.042 0.030 1 229 28 28 LEU CD2 C 23.133 0.300 2 230 28 28 LEU HD2 H 0.995 0.030 1 231 28 28 LEU C C 177.649 0.300 1 232 29 29 HIS N N 118.276 0.300 1 233 29 29 HIS H H 8.195 0.030 1 234 29 29 HIS CA C 59.210 0.300 1 235 29 29 HIS HA H 4.387 0.030 1 236 29 29 HIS CB C 29.860 0.300 1 237 29 29 HIS HB2 H 3.085 0.030 1 238 29 29 HIS HB3 H 3.085 0.030 1 239 29 29 HIS CD2 C 119.354 0.300 1 240 29 29 HIS HD2 H 6.938 0.030 1 241 29 29 HIS CE1 C 138.031 0.300 1 242 29 29 HIS HE1 H 7.821 0.030 1 243 29 29 HIS C C 178.599 0.300 1 244 30 30 SER N N 113.782 0.300 1 245 30 30 SER H H 7.957 0.030 1 246 30 30 SER CA C 61.487 0.300 1 247 30 30 SER HA H 4.135 0.030 1 248 30 30 SER CB C 62.677 0.300 1 249 30 30 SER HB2 H 3.910 0.030 1 250 30 30 SER HB3 H 3.910 0.030 1 251 30 30 SER C C 176.976 0.300 1 252 31 31 HIS N N 121.068 0.300 1 253 31 31 HIS H H 7.669 0.030 1 254 31 31 HIS CA C 58.850 0.300 1 255 31 31 HIS HA H 4.253 0.030 1 256 31 31 HIS CB C 28.477 0.300 1 257 31 31 HIS HB2 H 3.163 0.030 2 258 31 31 HIS HB3 H 2.951 0.030 2 259 31 31 HIS CD2 C 127.271 0.300 1 260 31 31 HIS HD2 H 6.948 0.030 1 261 31 31 HIS CE1 C 139.844 0.300 1 262 31 31 HIS HE1 H 8.019 0.030 1 263 31 31 HIS C C 175.956 0.300 1 264 32 32 GLN N N 115.453 0.300 1 265 32 32 GLN H H 8.123 0.030 1 266 32 32 GLN CA C 59.264 0.300 1 267 32 32 GLN HA H 3.659 0.030 1 268 32 32 GLN CB C 28.152 0.300 1 269 32 32 GLN HB2 H 2.266 0.030 2 270 32 32 GLN HB3 H 2.195 0.030 2 271 32 32 GLN CG C 35.125 0.300 1 272 32 32 GLN HG2 H 2.797 0.030 1 273 32 32 GLN HG3 H 2.797 0.030 1 274 32 32 GLN NE2 N 112.669 0.300 1 275 32 32 GLN HE21 H 7.547 0.030 2 276 32 32 GLN HE22 H 7.117 0.030 2 277 32 32 GLN C C 177.332 0.300 1 278 33 33 ARG N N 117.364 0.300 1 279 33 33 ARG H H 7.077 0.030 1 280 33 33 ARG CA C 58.389 0.300 1 281 33 33 ARG HA H 4.131 0.030 1 282 33 33 ARG CB C 29.966 0.300 1 283 33 33 ARG HB2 H 1.800 0.030 2 284 33 33 ARG HB3 H 1.848 0.030 2 285 33 33 ARG CG C 27.394 0.300 1 286 33 33 ARG HG2 H 1.649 0.030 2 287 33 33 ARG HG3 H 1.734 0.030 2 288 33 33 ARG CD C 43.355 0.300 1 289 33 33 ARG HD2 H 3.186 0.030 1 290 33 33 ARG HD3 H 3.186 0.030 1 291 33 33 ARG C C 178.497 0.300 1 292 34 34 VAL N N 116.278 0.300 1 293 34 34 VAL H H 7.886 0.030 1 294 34 34 VAL CA C 64.069 0.300 1 295 34 34 VAL HA H 3.900 0.030 1 296 34 34 VAL CB C 31.122 0.300 1 297 34 34 VAL HB H 1.887 0.030 1 298 34 34 VAL CG1 C 19.651 0.300 2 299 34 34 VAL HG1 H 0.493 0.030 1 300 34 34 VAL CG2 C 19.879 0.300 2 301 34 34 VAL HG2 H 0.630 0.030 1 302 34 34 VAL C C 177.295 0.300 1 303 35 35 HIS N N 117.224 0.300 1 304 35 35 HIS H H 7.217 0.030 1 305 35 35 HIS CA C 55.233 0.300 1 306 35 35 HIS HA H 4.864 0.030 1 307 35 35 HIS CB C 28.692 0.300 1 308 35 35 HIS HB2 H 3.359 0.030 2 309 35 35 HIS HB3 H 3.196 0.030 2 310 35 35 HIS CD2 C 127.567 0.300 1 311 35 35 HIS HD2 H 6.724 0.030 1 312 35 35 HIS CE1 C 139.965 0.300 1 313 35 35 HIS HE1 H 8.036 0.030 1 314 35 35 HIS C C 175.824 0.300 1 315 36 36 THR N N 111.706 0.300 1 316 36 36 THR H H 7.770 0.030 1 317 36 36 THR CA C 62.523 0.300 1 318 36 36 THR HA H 4.347 0.030 1 319 36 36 THR CB C 69.863 0.300 1 320 36 36 THR HB H 4.308 0.030 1 321 36 36 THR CG2 C 21.583 0.300 1 322 36 36 THR HG2 H 1.225 0.030 1 323 36 36 THR C C 175.637 0.300 1 324 37 37 GLY N N 110.627 0.300 1 325 37 37 GLY H H 8.221 0.030 1 326 37 37 GLY CA C 45.344 0.300 1 327 37 37 GLY HA2 H 4.018 0.030 2 328 37 37 GLY HA3 H 3.943 0.030 2 329 37 37 GLY C C 174.070 0.300 1 330 38 38 GLU N N 120.538 0.300 1 331 38 38 GLU H H 8.081 0.030 1 332 38 38 GLU CA C 56.425 0.300 1 333 38 38 GLU HA H 4.240 0.030 1 334 38 38 GLU CB C 30.510 0.300 1 335 38 38 GLU HB2 H 1.897 0.030 2 336 38 38 GLU HB3 H 1.991 0.030 2 337 38 38 GLU CG C 36.241 0.300 1 338 38 38 GLU HG2 H 2.219 0.030 1 339 38 38 GLU HG3 H 2.219 0.030 1 340 38 38 GLU C C 176.244 0.300 1 341 39 39 LYS N N 123.780 0.300 1 342 39 39 LYS H H 8.381 0.030 1 343 39 39 LYS CA C 54.135 0.300 1 344 39 39 LYS HA H 4.593 0.030 1 345 39 39 LYS CB C 32.496 0.300 1 346 39 39 LYS HB2 H 1.719 0.030 2 347 39 39 LYS HB3 H 1.810 0.030 2 348 39 39 LYS CG C 24.471 0.300 1 349 39 39 LYS HG2 H 1.464 0.030 1 350 39 39 LYS HG3 H 1.464 0.030 1 351 39 39 LYS CD C 29.143 0.300 1 352 39 39 LYS HD2 H 1.674 0.030 1 353 39 39 LYS HD3 H 1.674 0.030 1 354 39 39 LYS CE C 42.186 0.300 1 355 39 39 LYS HE2 H 2.988 0.030 1 356 39 39 LYS HE3 H 2.988 0.030 1 357 39 39 LYS C C 174.521 0.300 1 358 40 40 PRO CA C 63.225 0.300 1 359 40 40 PRO HA H 4.452 0.030 1 360 40 40 PRO CB C 32.181 0.300 1 361 40 40 PRO HB2 H 2.297 0.030 2 362 40 40 PRO HB3 H 1.932 0.030 2 363 40 40 PRO CG C 27.402 0.300 1 364 40 40 PRO HG2 H 2.009 0.030 1 365 40 40 PRO HG3 H 2.009 0.030 1 366 40 40 PRO CD C 50.700 0.300 1 367 40 40 PRO HD2 H 3.634 0.030 2 368 40 40 PRO HD3 H 3.804 0.030 2 369 40 40 PRO C C 176.999 0.300 1 370 41 41 SER N N 116.501 0.300 1 371 41 41 SER H H 8.466 0.030 1 372 41 41 SER CA C 58.367 0.300 1 373 41 41 SER HA H 4.512 0.030 1 374 41 41 SER CB C 63.986 0.300 1 375 41 41 SER HB2 H 3.880 0.030 2 376 41 41 SER C C 174.682 0.300 1 377 42 42 GLY CA C 44.661 0.300 1 378 42 42 GLY HA2 H 4.099 0.030 2 379 42 42 GLY HA3 H 4.147 0.030 2 380 43 43 PRO CA C 63.240 0.300 1 381 43 43 PRO HA H 4.463 0.030 1 382 43 43 PRO CB C 32.179 0.300 1 383 43 43 PRO HB2 H 2.002 0.030 2 384 43 43 PRO HB3 H 2.287 0.030 2 385 43 43 PRO CG C 27.151 0.300 1 386 43 43 PRO HG2 H 2.006 0.030 1 387 43 43 PRO HG3 H 2.006 0.030 1 388 43 43 PRO CD C 49.803 0.300 1 389 43 43 PRO HD2 H 3.619 0.030 1 390 43 43 PRO HD3 H 3.619 0.030 1 391 45 45 SER CA C 58.420 0.300 1 392 45 45 SER HA H 4.496 0.030 1 393 45 45 SER CB C 63.789 0.300 1 394 45 45 SER HB2 H 3.894 0.030 2 395 45 45 SER C C 173.912 0.300 1 396 46 46 GLY N N 116.852 0.300 1 397 46 46 GLY H H 8.037 0.030 1 398 46 46 GLY CA C 46.206 0.300 1 399 46 46 GLY HA2 H 3.789 0.030 2 400 46 46 GLY HA3 H 3.743 0.030 2 401 46 46 GLY C C 179.000 0.300 1 stop_ save_