data_10197 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 199-231) of human Zinc finger protein 224 ; _BMRB_accession_number 10197 _BMRB_flat_file_name bmr10197.str _Entry_type original _Submission_date 2008-03-05 _Accession_date 2008-03-05 _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" 206 "13C chemical shifts" 154 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-05 original author . stop_ _Original_release_date 2009-03-05 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 199-231) 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 199-231' $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 199-231' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGMGEKCYKCDVCGK EFSQSSHLQTHQRVHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 GLY 10 GLU 11 LYS 12 CYS 13 TYR 14 LYS 15 CYS 16 ASP 17 VAL 18 CYS 19 GLY 20 LYS 21 GLU 22 PHE 23 SER 24 GLN 25 SER 26 SER 27 HIS 28 LEU 29 GLN 30 THR 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 2015-01-31 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 2EM6 "Solution Structure Of The C2h2 Type Zinc Finger (Region 199- 231) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 8.60e-23 GB AAB84020 "zinc finger protein [Homo sapiens]" 71.74 70 96.97 96.97 1.00e-13 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 P061225-18 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 % . D2O 10 % . H2O 90 % . 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 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 199-231' _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 CA C 45.522 0.300 1 2 7 7 GLY HA2 H 3.949 0.030 2 3 7 7 GLY C C 174.326 0.300 1 4 8 8 MET N N 119.786 0.300 1 5 8 8 MET H H 8.274 0.030 1 6 8 8 MET CA C 55.569 0.300 1 7 8 8 MET HA H 4.511 0.030 1 8 8 8 MET CB C 32.859 0.300 1 9 8 8 MET HB2 H 2.006 0.030 2 10 8 8 MET HB3 H 2.131 0.030 2 11 8 8 MET CG C 32.083 0.300 1 12 8 8 MET HG2 H 2.609 0.030 2 13 8 8 MET HG3 H 2.520 0.030 2 14 8 8 MET CE C 16.971 0.300 1 15 8 8 MET HE H 2.093 0.030 1 16 8 8 MET C C 176.789 0.300 1 17 9 9 GLY N N 110.120 0.300 1 18 9 9 GLY H H 8.454 0.030 1 19 9 9 GLY CA C 45.277 0.300 1 20 9 9 GLY HA2 H 3.956 0.030 1 21 9 9 GLY HA3 H 3.956 0.030 1 22 9 9 GLY C C 174.007 0.300 1 23 10 10 GLU N N 120.558 0.300 1 24 10 10 GLU H H 8.068 0.030 1 25 10 10 GLU CA C 56.544 0.300 1 26 10 10 GLU HA H 4.252 0.030 1 27 10 10 GLU CB C 30.579 0.300 1 28 10 10 GLU HB2 H 1.918 0.030 2 29 10 10 GLU HB3 H 2.002 0.030 2 30 10 10 GLU CG C 36.295 0.300 1 31 10 10 GLU HG2 H 2.228 0.030 2 32 10 10 GLU HG3 H 2.268 0.030 2 33 10 10 GLU C C 176.309 0.300 1 34 11 11 LYS N N 122.155 0.300 1 35 11 11 LYS H H 8.398 0.030 1 36 11 11 LYS CA C 55.910 0.300 1 37 11 11 LYS HA H 4.245 0.030 1 38 11 11 LYS CB C 33.017 0.300 1 39 11 11 LYS HB2 H 1.645 0.030 2 40 11 11 LYS HB3 H 1.688 0.030 2 41 11 11 LYS CG C 24.769 0.300 1 42 11 11 LYS HG2 H 1.333 0.030 2 43 11 11 LYS HG3 H 1.266 0.030 2 44 11 11 LYS CD C 29.010 0.300 1 45 11 11 LYS HD2 H 1.624 0.030 1 46 11 11 LYS HD3 H 1.624 0.030 1 47 11 11 LYS CE C 42.243 0.300 1 48 11 11 LYS HE2 H 2.937 0.030 1 49 11 11 LYS HE3 H 2.937 0.030 1 50 11 11 LYS C C 175.280 0.300 1 51 12 12 CYS N N 119.118 0.300 1 52 12 12 CYS H H 7.956 0.030 1 53 12 12 CYS CA C 57.559 0.300 1 54 12 12 CYS HA H 4.542 0.030 1 55 12 12 CYS CB C 28.894 0.300 1 56 12 12 CYS HB2 H 2.689 0.030 2 57 12 12 CYS HB3 H 2.734 0.030 2 58 12 12 CYS C C 172.990 0.300 1 59 13 13 TYR N N 124.152 0.300 1 60 13 13 TYR H H 8.727 0.030 1 61 13 13 TYR CA C 57.441 0.300 1 62 13 13 TYR HA H 4.601 0.030 1 63 13 13 TYR CB C 39.188 0.300 1 64 13 13 TYR HB2 H 2.948 0.030 2 65 13 13 TYR HB3 H 2.751 0.030 2 66 13 13 TYR CD1 C 133.151 0.300 1 67 13 13 TYR HD1 H 6.946 0.030 1 68 13 13 TYR CD2 C 133.151 0.300 1 69 13 13 TYR HD2 H 6.946 0.030 1 70 13 13 TYR CE1 C 118.186 0.300 1 71 13 13 TYR HE1 H 6.776 0.030 1 72 13 13 TYR CE2 C 118.186 0.300 1 73 13 13 TYR HE2 H 6.776 0.030 1 74 13 13 TYR C C 174.171 0.300 1 75 14 14 LYS N N 125.412 0.300 1 76 14 14 LYS H H 8.727 0.030 1 77 14 14 LYS CA C 54.992 0.300 1 78 14 14 LYS HA H 5.102 0.030 1 79 14 14 LYS CB C 36.167 0.300 1 80 14 14 LYS HB2 H 1.738 0.030 2 81 14 14 LYS HB3 H 1.557 0.030 2 82 14 14 LYS CG C 24.719 0.300 1 83 14 14 LYS HG2 H 1.133 0.030 2 84 14 14 LYS HG3 H 1.217 0.030 2 85 14 14 LYS CD C 29.822 0.300 1 86 14 14 LYS HD2 H 1.600 0.030 2 87 14 14 LYS HD3 H 1.651 0.030 2 88 14 14 LYS CE C 42.034 0.300 1 89 14 14 LYS HE2 H 2.959 0.030 1 90 14 14 LYS HE3 H 2.959 0.030 1 91 14 14 LYS C C 175.134 0.300 1 92 15 15 CYS N N 127.849 0.300 1 93 15 15 CYS H H 9.310 0.030 1 94 15 15 CYS CA C 59.999 0.300 1 95 15 15 CYS HA H 4.533 0.030 1 96 15 15 CYS CB C 29.661 0.300 1 97 15 15 CYS HB2 H 3.413 0.030 2 98 15 15 CYS HB3 H 2.911 0.030 2 99 15 15 CYS C C 176.848 0.300 1 100 16 16 ASP N N 115.181 0.300 1 101 16 16 ASP H H 9.321 0.030 1 102 16 16 ASP CA C 56.333 0.300 1 103 16 16 ASP HA H 4.447 0.030 1 104 16 16 ASP CB C 40.579 0.300 1 105 16 16 ASP HB2 H 2.773 0.030 1 106 16 16 ASP HB3 H 2.773 0.030 1 107 16 16 ASP C C 175.969 0.300 1 108 17 17 VAL N N 121.861 0.300 1 109 17 17 VAL H H 8.757 0.030 1 110 17 17 VAL CA C 65.159 0.300 1 111 17 17 VAL HA H 3.797 0.030 1 112 17 17 VAL CB C 32.936 0.300 1 113 17 17 VAL HB H 1.218 0.030 1 114 17 17 VAL CG1 C 21.362 0.300 2 115 17 17 VAL HG1 H 0.808 0.030 1 116 17 17 VAL CG2 C 20.237 0.300 2 117 17 17 VAL HG2 H 0.300 0.030 1 118 17 17 VAL C C 177.154 0.300 1 119 18 18 CYS N N 115.378 0.300 1 120 18 18 CYS H H 8.044 0.030 1 121 18 18 CYS CA C 58.172 0.300 1 122 18 18 CYS HA H 5.163 0.030 1 123 18 18 CYS CB C 32.784 0.300 1 124 18 18 CYS HB2 H 3.483 0.030 2 125 18 18 CYS HB3 H 2.825 0.030 2 126 18 18 CYS C C 176.540 0.300 1 127 19 19 GLY N N 113.425 0.300 1 128 19 19 GLY H H 8.066 0.030 1 129 19 19 GLY CA C 46.336 0.300 1 130 19 19 GLY HA2 H 4.269 0.030 2 131 19 19 GLY HA3 H 3.806 0.030 2 132 19 19 GLY C C 173.558 0.300 1 133 20 20 LYS N N 123.276 0.300 1 134 20 20 LYS H H 8.018 0.030 1 135 20 20 LYS CA C 58.465 0.300 1 136 20 20 LYS HA H 3.935 0.030 1 137 20 20 LYS CB C 33.640 0.300 1 138 20 20 LYS HB2 H 1.448 0.030 2 139 20 20 LYS HB3 H 1.193 0.030 2 140 20 20 LYS CG C 26.261 0.300 1 141 20 20 LYS HG2 H 1.031 0.030 2 142 20 20 LYS HG3 H 1.392 0.030 2 143 20 20 LYS CD C 29.277 0.300 1 144 20 20 LYS HD2 H 1.413 0.030 2 145 20 20 LYS HD3 H 1.497 0.030 2 146 20 20 LYS CE C 42.159 0.300 1 147 20 20 LYS HE2 H 2.893 0.030 2 148 20 20 LYS HE3 H 2.983 0.030 2 149 20 20 LYS C C 174.303 0.300 1 150 21 21 GLU N N 120.572 0.300 1 151 21 21 GLU H H 7.893 0.030 1 152 21 21 GLU CA C 55.071 0.300 1 153 21 21 GLU HA H 4.863 0.030 1 154 21 21 GLU CB C 32.738 0.300 1 155 21 21 GLU HB2 H 1.717 0.030 2 156 21 21 GLU HB3 H 1.793 0.030 2 157 21 21 GLU CG C 36.906 0.300 1 158 21 21 GLU HG2 H 2.347 0.030 2 159 21 21 GLU HG3 H 1.926 0.030 2 160 21 21 GLU C C 175.442 0.300 1 161 22 22 PHE N N 118.232 0.300 1 162 22 22 PHE H H 8.808 0.030 1 163 22 22 PHE CA C 56.999 0.300 1 164 22 22 PHE HA H 4.879 0.030 1 165 22 22 PHE CB C 43.906 0.300 1 166 22 22 PHE HB2 H 2.788 0.030 2 167 22 22 PHE HB3 H 3.538 0.030 2 168 22 22 PHE CD1 C 132.536 0.300 1 169 22 22 PHE HD1 H 7.304 0.030 1 170 22 22 PHE CD2 C 132.536 0.300 1 171 22 22 PHE HD2 H 7.304 0.030 1 172 22 22 PHE CE1 C 130.686 0.300 1 173 22 22 PHE HE1 H 6.867 0.030 1 174 22 22 PHE CE2 C 130.686 0.300 1 175 22 22 PHE HE2 H 6.867 0.030 1 176 22 22 PHE CZ C 128.822 0.300 1 177 22 22 PHE HZ H 6.231 0.030 1 178 22 22 PHE C C 175.502 0.300 1 179 23 23 SER CA C 59.319 0.300 1 180 23 23 SER HA H 4.872 0.030 1 181 23 23 SER CB C 64.471 0.300 1 182 23 23 SER HB2 H 4.035 0.030 2 183 23 23 SER HB3 H 4.172 0.030 2 184 23 23 SER C C 174.157 0.300 1 185 24 24 GLN N N 115.876 0.300 1 186 24 24 GLN H H 7.123 0.030 1 187 24 24 GLN CA C 53.975 0.300 1 188 24 24 GLN HA H 4.582 0.030 1 189 24 24 GLN CB C 31.867 0.300 1 190 24 24 GLN HB2 H 1.937 0.030 2 191 24 24 GLN HB3 H 0.915 0.030 2 192 24 24 GLN CG C 33.427 0.300 1 193 24 24 GLN HG2 H 2.040 0.030 2 194 24 24 GLN HG3 H 2.147 0.030 2 195 24 24 GLN NE2 N 112.028 0.300 1 196 24 24 GLN HE21 H 7.372 0.030 2 197 24 24 GLN HE22 H 6.822 0.030 2 198 24 24 GLN C C 175.839 0.300 1 199 25 25 SER CA C 61.060 0.300 1 200 25 25 SER HA H 3.107 0.030 1 201 25 25 SER CB C 61.929 0.300 1 202 25 25 SER HB2 H 3.348 0.030 2 203 25 25 SER HB3 H 3.505 0.030 2 204 26 26 SER CA C 61.019 0.300 1 205 26 26 SER HA H 4.054 0.030 1 206 26 26 SER CB C 61.700 0.300 1 207 26 26 SER HB2 H 3.851 0.030 2 208 26 26 SER C C 176.800 0.300 1 209 27 27 HIS N N 120.923 0.300 1 210 27 27 HIS H H 6.656 0.030 1 211 27 27 HIS CA C 56.877 0.300 1 212 27 27 HIS HA H 4.465 0.030 1 213 27 27 HIS CB C 31.765 0.300 1 214 27 27 HIS HB2 H 3.285 0.030 2 215 27 27 HIS HB3 H 3.225 0.030 2 216 27 27 HIS CD2 C 116.824 0.300 1 217 27 27 HIS HD2 H 6.981 0.030 1 218 27 27 HIS CE1 C 139.170 0.300 1 219 27 27 HIS HE1 H 7.763 0.030 1 220 27 27 HIS C C 178.354 0.300 1 221 28 28 LEU N N 121.000 0.300 1 222 28 28 LEU H H 6.955 0.030 1 223 28 28 LEU CA C 57.734 0.300 1 224 28 28 LEU HA H 3.249 0.030 1 225 28 28 LEU CB C 40.290 0.300 1 226 28 28 LEU HB2 H 1.979 0.030 2 227 28 28 LEU HB3 H 1.247 0.030 2 228 28 28 LEU CG C 27.511 0.300 1 229 28 28 LEU HG H 1.542 0.030 1 230 28 28 LEU CD1 C 26.455 0.300 2 231 28 28 LEU HD1 H 1.041 0.030 1 232 28 28 LEU CD2 C 22.886 0.300 2 233 28 28 LEU HD2 H 1.051 0.030 1 234 28 28 LEU C C 177.380 0.300 1 235 29 29 GLN N N 118.542 0.300 1 236 29 29 GLN H H 8.074 0.030 1 237 29 29 GLN CA C 59.241 0.300 1 238 29 29 GLN HA H 4.078 0.030 1 239 29 29 GLN CB C 28.246 0.300 1 240 29 29 GLN HB2 H 2.087 0.030 1 241 29 29 GLN HB3 H 2.087 0.030 1 242 29 29 GLN CG C 34.056 0.300 1 243 29 29 GLN HG2 H 2.319 0.030 2 244 29 29 GLN HG3 H 2.410 0.030 2 245 29 29 GLN NE2 N 111.794 0.300 1 246 29 29 GLN HE21 H 7.388 0.030 2 247 29 29 GLN HE22 H 6.797 0.030 2 248 29 29 GLN C C 179.270 0.300 1 249 30 30 THR N N 115.381 0.300 1 250 30 30 THR H H 8.023 0.030 1 251 30 30 THR CA C 66.331 0.300 1 252 30 30 THR HA H 3.857 0.030 1 253 30 30 THR CB C 68.800 0.300 1 254 30 30 THR HB H 4.094 0.030 1 255 30 30 THR CG2 C 22.048 0.300 1 256 30 30 THR HG2 H 1.213 0.030 1 257 30 30 THR C C 176.560 0.300 1 258 31 31 HIS N N 121.437 0.300 1 259 31 31 HIS H H 7.611 0.030 1 260 31 31 HIS CA C 59.124 0.300 1 261 31 31 HIS HA H 4.227 0.030 1 262 31 31 HIS CB C 28.616 0.300 1 263 31 31 HIS HB2 H 3.137 0.030 2 264 31 31 HIS HB3 H 2.912 0.030 2 265 31 31 HIS CD2 C 127.132 0.300 1 266 31 31 HIS HD2 H 6.947 0.030 1 267 31 31 HIS CE1 C 139.909 0.300 1 268 31 31 HIS HE1 H 8.054 0.030 1 269 31 31 HIS C C 175.895 0.300 1 270 32 32 GLN N N 115.030 0.300 1 271 32 32 GLN H H 8.285 0.030 1 272 32 32 GLN CA C 59.440 0.300 1 273 32 32 GLN HA H 3.680 0.030 1 274 32 32 GLN CB C 28.287 0.300 1 275 32 32 GLN HB2 H 2.219 0.030 2 276 32 32 GLN HB3 H 2.296 0.030 2 277 32 32 GLN CG C 35.152 0.300 1 278 32 32 GLN HG2 H 2.793 0.030 1 279 32 32 GLN HG3 H 2.793 0.030 1 280 32 32 GLN NE2 N 112.574 0.300 1 281 32 32 GLN HE21 H 7.515 0.030 2 282 32 32 GLN HE22 H 7.051 0.030 2 283 32 32 GLN C C 177.393 0.300 1 284 33 33 ARG N N 117.259 0.300 1 285 33 33 ARG H H 7.113 0.030 1 286 33 33 ARG CA C 58.407 0.300 1 287 33 33 ARG HA H 4.158 0.030 1 288 33 33 ARG CB C 29.987 0.300 1 289 33 33 ARG HB2 H 1.816 0.030 2 290 33 33 ARG HB3 H 1.906 0.030 2 291 33 33 ARG CG C 27.565 0.300 1 292 33 33 ARG HG2 H 1.690 0.030 2 293 33 33 ARG HG3 H 1.823 0.030 2 294 33 33 ARG CD C 43.520 0.300 1 295 33 33 ARG HD2 H 3.217 0.030 1 296 33 33 ARG HD3 H 3.217 0.030 1 297 33 33 ARG C C 178.523 0.300 1 298 34 34 VAL N N 116.132 0.300 1 299 34 34 VAL H H 7.926 0.030 1 300 34 34 VAL CA C 64.005 0.300 1 301 34 34 VAL HA H 3.917 0.030 1 302 34 34 VAL CB C 31.133 0.300 1 303 34 34 VAL HB H 1.896 0.030 1 304 34 34 VAL CG1 C 19.833 0.300 2 305 34 34 VAL HG1 H 0.644 0.030 1 306 34 34 VAL CG2 C 19.481 0.300 2 307 34 34 VAL HG2 H 0.484 0.030 1 308 34 34 VAL C C 177.246 0.300 1 309 35 35 HIS N N 116.613 0.300 1 310 35 35 HIS H H 7.200 0.030 1 311 35 35 HIS CA C 54.962 0.300 1 312 35 35 HIS HA H 4.945 0.030 1 313 35 35 HIS CB C 28.553 0.300 1 314 35 35 HIS HB2 H 3.304 0.030 2 315 35 35 HIS HB3 H 3.399 0.030 2 316 35 35 HIS CD2 C 127.610 0.300 1 317 35 35 HIS HD2 H 6.733 0.030 1 318 35 35 HIS CE1 C 140.373 0.300 1 319 35 35 HIS HE1 H 8.112 0.030 1 320 35 35 HIS C C 175.670 0.300 1 321 36 36 THR N N 112.053 0.300 1 322 36 36 THR H H 7.769 0.030 1 323 36 36 THR CA C 62.692 0.300 1 324 36 36 THR HA H 4.347 0.030 1 325 36 36 THR CB C 69.819 0.300 1 326 36 36 THR HB H 4.320 0.030 1 327 36 36 THR CG2 C 21.584 0.300 1 328 36 36 THR HG2 H 1.250 0.030 1 329 36 36 THR C C 175.500 0.300 1 330 37 37 GLY CA C 45.299 0.300 1 331 37 37 GLY HA2 H 3.936 0.030 2 332 37 37 GLY C C 173.971 0.300 1 333 38 38 GLU N N 120.577 0.300 1 334 38 38 GLU H H 8.266 0.030 1 335 38 38 GLU CA C 56.543 0.300 1 336 38 38 GLU HA H 4.272 0.030 1 337 38 38 GLU CB C 30.449 0.300 1 338 38 38 GLU HB2 H 1.891 0.030 2 339 38 38 GLU HB3 H 2.032 0.030 2 340 38 38 GLU CG C 36.294 0.300 1 341 38 38 GLU HG2 H 2.251 0.030 1 342 38 38 GLU HG3 H 2.251 0.030 1 343 38 38 GLU C C 176.313 0.300 1 344 39 39 LYS N N 123.814 0.300 1 345 39 39 LYS H H 8.418 0.030 1 346 39 39 LYS CA C 54.156 0.300 1 347 39 39 LYS HA H 4.611 0.030 1 348 39 39 LYS CB C 32.558 0.300 1 349 39 39 LYS HB2 H 1.730 0.030 2 350 39 39 LYS HB3 H 1.820 0.030 2 351 39 39 LYS CG C 24.515 0.300 1 352 39 39 LYS HG2 H 1.470 0.030 1 353 39 39 LYS HG3 H 1.470 0.030 1 354 39 39 LYS CD C 29.180 0.300 1 355 39 39 LYS HD2 H 1.691 0.030 1 356 39 39 LYS HD3 H 1.691 0.030 1 357 39 39 LYS CE C 42.171 0.300 1 358 39 39 LYS HE2 H 3.002 0.030 2 359 39 39 LYS C C 174.459 0.300 1 360 40 40 PRO CA C 63.278 0.300 1 361 40 40 PRO HA H 4.465 0.030 1 362 40 40 PRO CB C 32.181 0.300 1 363 40 40 PRO HB2 H 2.305 0.030 2 364 40 40 PRO HB3 H 1.935 0.030 2 365 40 40 PRO CG C 27.426 0.300 1 366 40 40 PRO HG2 H 2.017 0.030 1 367 40 40 PRO HG3 H 2.017 0.030 1 368 40 40 PRO CD C 50.698 0.300 1 369 40 40 PRO HD2 H 3.644 0.030 2 370 40 40 PRO HD3 H 3.819 0.030 2 371 42 42 GLY CA C 44.677 0.300 1 372 42 42 GLY HA2 H 4.162 0.030 2 373 42 42 GLY HA3 H 4.112 0.030 2 374 43 43 PRO CA C 63.257 0.300 1 375 43 43 PRO HA H 4.479 0.030 1 376 43 43 PRO CB C 32.210 0.300 1 377 43 43 PRO HB2 H 1.976 0.030 2 378 43 43 PRO CG C 27.186 0.300 1 379 43 43 PRO HG2 H 2.018 0.030 1 380 43 43 PRO HG3 H 2.018 0.030 1 381 43 43 PRO CD C 49.811 0.300 1 382 43 43 PRO HD2 H 3.627 0.030 1 383 43 43 PRO HD3 H 3.627 0.030 1 384 45 45 SER CA C 58.380 0.300 1 385 45 45 SER HA H 4.440 0.030 1 386 45 45 SER CB C 64.123 0.300 1 387 45 45 SER HB2 H 3.833 0.030 2 388 45 45 SER C C 173.895 0.300 1 389 46 46 GLY N N 116.861 0.300 1 390 46 46 GLY H H 8.043 0.030 1 391 46 46 GLY CA C 46.221 0.300 1 392 46 46 GLY C C 178.966 0.300 1 stop_ save_