data_10174 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 340-372) of human Zinc finger protein 347 ; _BMRB_accession_number 10174 _BMRB_flat_file_name bmr10174.str _Entry_type original _Submission_date 2008-01-31 _Accession_date 2008-02-01 _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" 197 "13C chemical shifts" 146 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-24 original author . stop_ _Original_release_date 2009-02-24 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 340-372) of human Zinc finger protein 347 ; _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 347' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label zf-C2H2 $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 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYKCNECGK VFTQNSHLVRHRGIHTGEKP 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 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 VAL 22 PHE 23 THR 24 GLN 25 ASN 26 SER 27 HIS 28 LEU 29 VAL 30 ARG 31 HIS 32 ARG 33 GLY 34 ILE 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 BMRB 10188 "zf-C2H2 domain" 80.43 46 97.30 97.30 2.65e-17 PDB 2ENF "Solution Structure Of The C2h2 Type Zinc Finger (Region 340- 372) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 3.55e-23 PDB 2YTI "Solution Structure Of The C2h2 Type Zinc Finger (Region 564- 596) Of Human Zinc Finger Protein 347" 80.43 46 97.30 97.30 2.65e-17 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 P070115-10 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 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 _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 45.463 0.300 1 2 7 7 GLY HA2 H 4.028 0.030 1 3 7 7 GLY HA3 H 4.028 0.030 1 4 7 7 GLY C C 174.552 0.300 1 5 8 8 THR N N 112.866 0.300 1 6 8 8 THR H H 8.147 0.030 1 7 8 8 THR CA C 61.817 0.300 1 8 8 8 THR HA H 4.339 0.030 1 9 8 8 THR CB C 69.759 0.300 1 10 8 8 THR HB H 4.277 0.030 1 11 8 8 THR CG2 C 21.493 0.300 1 12 8 8 THR HG2 H 1.169 0.030 1 13 8 8 THR C C 175.264 0.300 1 14 9 9 GLY N N 111.067 0.300 1 15 9 9 GLY H H 8.443 0.030 1 16 9 9 GLY CA C 45.274 0.300 1 17 9 9 GLY HA2 H 3.943 0.030 1 18 9 9 GLY HA3 H 3.943 0.030 1 19 9 9 GLY C C 174.030 0.300 1 20 10 10 GLU N N 120.578 0.300 1 21 10 10 GLU H H 8.208 0.030 1 22 10 10 GLU CA C 56.472 0.300 1 23 10 10 GLU HA H 4.219 0.030 1 24 10 10 GLU CB C 30.440 0.300 1 25 10 10 GLU HB2 H 1.928 0.030 1 26 10 10 GLU HB3 H 1.928 0.030 1 27 10 10 GLU CG C 36.179 0.300 1 28 10 10 GLU HG2 H 2.218 0.030 2 29 10 10 GLU C C 176.263 0.300 1 30 11 11 LYS N N 123.011 0.300 1 31 11 11 LYS H H 8.294 0.030 1 32 11 11 LYS CA C 53.808 0.300 1 33 11 11 LYS HA H 4.507 0.030 1 34 11 11 LYS CB C 32.578 0.300 1 35 11 11 LYS HB2 H 1.608 0.030 1 36 11 11 LYS HB3 H 1.608 0.030 1 37 11 11 LYS CG C 24.640 0.300 1 38 11 11 LYS HG2 H 1.324 0.030 2 39 11 11 LYS HG3 H 1.268 0.030 2 40 11 11 LYS CD C 29.416 0.300 1 41 11 11 LYS HD2 H 1.559 0.030 1 42 11 11 LYS HD3 H 1.559 0.030 1 43 11 11 LYS CE C 42.262 0.300 1 44 11 11 LYS HE2 H 2.906 0.030 1 45 11 11 LYS HE3 H 2.906 0.030 1 46 11 11 LYS C C 174.019 0.300 1 47 12 12 PRO CA C 62.899 0.300 1 48 12 12 PRO HA H 4.290 0.030 1 49 12 12 PRO CB C 32.252 0.300 1 50 12 12 PRO HB2 H 1.450 0.030 2 51 12 12 PRO HB3 H 2.038 0.030 2 52 12 12 PRO CG C 26.800 0.300 1 53 12 12 PRO HG2 H 1.846 0.030 2 54 12 12 PRO HG3 H 1.690 0.030 2 55 12 12 PRO CD C 50.220 0.300 1 56 12 12 PRO HD2 H 3.617 0.030 2 57 12 12 PRO HD3 H 3.530 0.030 2 58 12 12 PRO C C 176.475 0.300 1 59 13 13 TYR N N 119.889 0.300 1 60 13 13 TYR H H 8.093 0.030 1 61 13 13 TYR CA C 57.162 0.300 1 62 13 13 TYR HA H 4.587 0.030 1 63 13 13 TYR CB C 38.013 0.300 1 64 13 13 TYR HB2 H 2.900 0.030 1 65 13 13 TYR HB3 H 2.900 0.030 1 66 13 13 TYR CD1 C 133.151 0.300 1 67 13 13 TYR HD1 H 6.958 0.030 1 68 13 13 TYR CD2 C 133.151 0.300 1 69 13 13 TYR HD2 H 6.958 0.030 1 70 13 13 TYR CE1 C 118.278 0.300 1 71 13 13 TYR HE1 H 6.798 0.030 1 72 13 13 TYR CE2 C 118.278 0.300 1 73 13 13 TYR HE2 H 6.798 0.030 1 74 13 13 TYR C C 174.036 0.300 1 75 14 14 LYS N N 124.683 0.300 1 76 14 14 LYS H H 8.350 0.030 1 77 14 14 LYS CA C 54.699 0.300 1 78 14 14 LYS HA H 5.082 0.030 1 79 14 14 LYS CB C 36.077 0.300 1 80 14 14 LYS HB2 H 1.469 0.030 2 81 14 14 LYS HB3 H 1.696 0.030 2 82 14 14 LYS CG C 24.396 0.300 1 83 14 14 LYS HG2 H 1.113 0.030 2 84 14 14 LYS HG3 H 1.019 0.030 2 85 14 14 LYS CD C 29.532 0.300 1 86 14 14 LYS HD2 H 1.542 0.030 1 87 14 14 LYS HD3 H 1.542 0.030 1 88 14 14 LYS CE C 41.975 0.300 1 89 14 14 LYS HE2 H 2.883 0.030 1 90 14 14 LYS HE3 H 2.883 0.030 1 91 14 14 LYS C C 175.154 0.300 1 92 15 15 CYS N N 127.993 0.300 1 93 15 15 CYS H H 9.322 0.030 1 94 15 15 CYS CA C 59.441 0.300 1 95 15 15 CYS HA H 4.526 0.030 1 96 15 15 CYS CB C 29.639 0.300 1 97 15 15 CYS HB2 H 3.360 0.030 2 98 15 15 CYS HB3 H 2.829 0.030 2 99 15 15 CYS C C 176.800 0.300 1 100 16 16 ASN CA C 55.581 0.300 1 101 16 16 ASN HA H 4.498 0.030 1 102 16 16 ASN CB C 38.278 0.300 1 103 16 16 ASN HB2 H 2.857 0.030 1 104 16 16 ASN HB3 H 2.857 0.030 1 105 16 16 ASN ND2 N 113.546 0.300 1 106 16 16 ASN HD21 H 6.986 0.030 2 107 16 16 ASN HD22 H 7.676 0.030 2 108 16 16 ASN C C 175.404 0.300 1 109 17 17 GLU N N 120.838 0.300 1 110 17 17 GLU H H 8.709 0.030 1 111 17 17 GLU CA C 58.732 0.300 1 112 17 17 GLU HA H 4.180 0.030 1 113 17 17 GLU CB C 29.321 0.300 1 114 17 17 GLU HB2 H 1.299 0.030 1 115 17 17 GLU HB3 H 1.299 0.030 1 116 17 17 GLU CG C 36.192 0.300 1 117 17 17 GLU HG2 H 1.903 0.030 2 118 17 17 GLU HG3 H 1.844 0.030 2 119 17 17 GLU C C 177.142 0.300 1 120 18 18 CYS N N 114.657 0.300 1 121 18 18 CYS H H 7.916 0.030 1 122 18 18 CYS CA C 58.276 0.300 1 123 18 18 CYS HA H 5.140 0.030 1 124 18 18 CYS CB C 32.360 0.300 1 125 18 18 CYS HB2 H 2.859 0.030 2 126 18 18 CYS HB3 H 3.415 0.030 2 127 18 18 CYS C C 176.225 0.300 1 128 19 19 GLY N N 113.624 0.300 1 129 19 19 GLY H H 8.162 0.030 1 130 19 19 GLY CA C 46.220 0.300 1 131 19 19 GLY HA2 H 3.703 0.030 2 132 19 19 GLY HA3 H 4.211 0.030 2 133 19 19 GLY C C 173.525 0.300 1 134 20 20 LYS N N 122.667 0.300 1 135 20 20 LYS H H 7.889 0.030 1 136 20 20 LYS CA C 58.257 0.300 1 137 20 20 LYS HA H 3.946 0.030 1 138 20 20 LYS CB C 33.797 0.300 1 139 20 20 LYS HB2 H 1.152 0.030 2 140 20 20 LYS HB3 H 1.385 0.030 2 141 20 20 LYS CG C 26.341 0.300 1 142 20 20 LYS HG2 H 0.993 0.030 2 143 20 20 LYS HG3 H 1.397 0.030 2 144 20 20 LYS CD C 29.297 0.300 1 145 20 20 LYS HD2 H 1.482 0.030 2 146 20 20 LYS HD3 H 1.407 0.030 2 147 20 20 LYS CE C 42.144 0.300 1 148 20 20 LYS HE2 H 2.955 0.030 2 149 20 20 LYS HE3 H 2.883 0.030 2 150 20 20 LYS C C 174.228 0.300 1 151 21 21 VAL N N 117.585 0.300 1 152 21 21 VAL H H 7.598 0.030 1 153 21 21 VAL CA C 60.474 0.300 1 154 21 21 VAL HA H 4.740 0.030 1 155 21 21 VAL CB C 33.927 0.300 1 156 21 21 VAL HB H 1.826 0.030 1 157 21 21 VAL CG1 C 21.928 0.300 2 158 21 21 VAL HG1 H 0.808 0.030 1 159 21 21 VAL CG2 C 20.430 0.300 2 160 21 21 VAL HG2 H 0.795 0.030 1 161 21 21 VAL C C 175.205 0.300 1 162 22 22 PHE N N 121.649 0.300 1 163 22 22 PHE H H 8.733 0.030 1 164 22 22 PHE CA C 56.779 0.300 1 165 22 22 PHE HA H 4.897 0.030 1 166 22 22 PHE CB C 43.417 0.300 1 167 22 22 PHE HB2 H 2.727 0.030 2 168 22 22 PHE HB3 H 3.495 0.030 2 169 22 22 PHE CD1 C 132.465 0.300 1 170 22 22 PHE HD1 H 7.261 0.030 1 171 22 22 PHE CD2 C 132.465 0.300 1 172 22 22 PHE HD2 H 7.261 0.030 1 173 22 22 PHE CE1 C 130.578 0.300 1 174 22 22 PHE HE1 H 6.832 0.030 1 175 22 22 PHE CE2 C 130.578 0.300 1 176 22 22 PHE HE2 H 6.832 0.030 1 177 22 22 PHE CZ C 128.626 0.300 1 178 22 22 PHE HZ H 6.080 0.030 1 179 22 22 PHE C C 175.652 0.300 1 180 23 23 THR N N 111.274 0.300 1 181 23 23 THR H H 9.494 0.030 1 182 23 23 THR CA C 63.213 0.300 1 183 23 23 THR HA H 4.528 0.030 1 184 23 23 THR CB C 69.708 0.300 1 185 23 23 THR HB H 4.458 0.030 1 186 23 23 THR CG2 C 22.365 0.300 1 187 23 23 THR HG2 H 1.325 0.030 1 188 23 23 THR C C 174.881 0.300 1 189 24 24 GLN N N 115.450 0.300 1 190 24 24 GLN H H 7.058 0.030 1 191 24 24 GLN CA C 53.963 0.300 1 192 24 24 GLN HA H 4.452 0.030 1 193 24 24 GLN CB C 31.851 0.300 1 194 24 24 GLN HB2 H 0.949 0.030 2 195 24 24 GLN HB3 H 1.902 0.030 2 196 24 24 GLN CG C 33.155 0.300 1 197 24 24 GLN HG2 H 2.072 0.030 2 198 24 24 GLN HG3 H 1.995 0.030 2 199 24 24 GLN NE2 N 111.924 0.300 1 200 24 24 GLN HE21 H 6.812 0.030 2 201 24 24 GLN HE22 H 7.296 0.030 2 202 24 24 GLN C C 175.682 0.300 1 203 25 25 ASN CA C 56.596 0.300 1 204 25 25 ASN HA H 3.560 0.030 1 205 25 25 ASN CB C 38.675 0.300 1 206 25 25 ASN HB2 H 2.137 0.030 2 207 25 25 ASN HB3 H 2.376 0.030 2 208 25 25 ASN ND2 N 113.044 0.300 1 209 25 25 ASN HD21 H 6.667 0.030 2 210 25 25 ASN HD22 H 7.288 0.030 2 211 26 26 SER CA C 61.163 0.300 1 212 26 26 SER HA H 3.881 0.030 1 213 26 26 SER CB C 61.444 0.300 1 214 26 26 SER HB2 H 3.815 0.030 1 215 26 26 SER HB3 H 3.815 0.030 1 216 26 26 SER C C 177.103 0.300 1 217 27 27 HIS N N 120.980 0.300 1 218 27 27 HIS H H 6.699 0.030 1 219 27 27 HIS CA C 56.939 0.300 1 220 27 27 HIS HA H 4.344 0.030 1 221 27 27 HIS CB C 31.831 0.300 1 222 27 27 HIS HB2 H 3.254 0.030 2 223 27 27 HIS HB3 H 3.190 0.030 2 224 27 27 HIS CD2 C 116.714 0.300 1 225 27 27 HIS HD2 H 6.903 0.030 1 226 27 27 HIS CE1 C 139.177 0.300 1 227 27 27 HIS HE1 H 7.716 0.030 1 228 27 27 HIS C C 177.849 0.300 1 229 28 28 LEU N N 122.679 0.300 1 230 28 28 LEU H H 6.876 0.030 1 231 28 28 LEU CA C 57.700 0.300 1 232 28 28 LEU HA H 3.175 0.030 1 233 28 28 LEU CB C 40.513 0.300 1 234 28 28 LEU HB2 H 1.164 0.030 2 235 28 28 LEU HB3 H 2.105 0.030 2 236 28 28 LEU CG C 27.663 0.300 1 237 28 28 LEU HG H 1.470 0.030 1 238 28 28 LEU CD1 C 22.564 0.300 2 239 28 28 LEU HD1 H 0.979 0.030 1 240 28 28 LEU CD2 C 26.591 0.300 2 241 28 28 LEU HD2 H 1.042 0.030 1 242 28 28 LEU C C 177.396 0.300 1 243 29 29 VAL N N 119.083 0.300 1 244 29 29 VAL H H 8.251 0.030 1 245 29 29 VAL CA C 66.791 0.300 1 246 29 29 VAL HA H 3.372 0.030 1 247 29 29 VAL CB C 31.749 0.300 1 248 29 29 VAL HB H 1.904 0.030 1 249 29 29 VAL CG1 C 22.552 0.300 2 250 29 29 VAL HG1 H 0.899 0.030 1 251 29 29 VAL CG2 C 20.902 0.300 2 252 29 29 VAL HG2 H 0.837 0.030 1 253 29 29 VAL C C 178.979 0.300 1 254 30 30 ARG N N 118.008 0.300 1 255 30 30 ARG H H 7.431 0.030 1 256 30 30 ARG CA C 58.827 0.300 1 257 30 30 ARG HA H 3.988 0.030 1 258 30 30 ARG CB C 30.154 0.300 1 259 30 30 ARG HB2 H 1.810 0.030 1 260 30 30 ARG HB3 H 1.810 0.030 1 261 30 30 ARG CG C 27.201 0.300 1 262 30 30 ARG HG2 H 1.687 0.030 2 263 30 30 ARG HG3 H 1.593 0.030 2 264 30 30 ARG CD C 43.337 0.300 1 265 30 30 ARG HD2 H 3.154 0.030 1 266 30 30 ARG HD3 H 3.154 0.030 1 267 30 30 ARG C C 178.629 0.300 1 268 31 31 HIS N N 119.261 0.300 1 269 31 31 HIS H H 7.645 0.030 1 270 31 31 HIS CA C 58.859 0.300 1 271 31 31 HIS HA H 4.182 0.030 1 272 31 31 HIS CB C 28.757 0.300 1 273 31 31 HIS HB2 H 2.874 0.030 2 274 31 31 HIS HB3 H 3.150 0.030 2 275 31 31 HIS CD2 C 127.317 0.300 1 276 31 31 HIS HD2 H 6.951 0.030 1 277 31 31 HIS CE1 C 139.663 0.300 1 278 31 31 HIS HE1 H 8.038 0.030 1 279 31 31 HIS C C 175.828 0.300 1 280 32 32 ARG N N 115.529 0.300 1 281 32 32 ARG H H 8.072 0.030 1 282 32 32 ARG CA C 59.996 0.300 1 283 32 32 ARG HA H 3.724 0.030 1 284 32 32 ARG CB C 29.913 0.300 1 285 32 32 ARG HB2 H 1.983 0.030 1 286 32 32 ARG HB3 H 1.983 0.030 1 287 32 32 ARG CG C 28.350 0.300 1 288 32 32 ARG HG2 H 2.030 0.030 1 289 32 32 ARG HG3 H 2.030 0.030 1 290 32 32 ARG CD C 43.779 0.300 1 291 32 32 ARG HD2 H 3.341 0.030 2 292 32 32 ARG HD3 H 3.278 0.030 2 293 32 32 ARG C C 178.047 0.300 1 294 33 33 GLY N N 105.489 0.300 1 295 33 33 GLY H H 7.514 0.030 1 296 33 33 GLY CA C 46.567 0.300 1 297 33 33 GLY HA2 H 3.988 0.030 2 298 33 33 GLY HA3 H 3.867 0.030 2 299 33 33 GLY C C 175.858 0.300 1 300 34 34 ILE N N 118.370 0.300 1 301 34 34 ILE H H 7.808 0.030 1 302 34 34 ILE CA C 62.704 0.300 1 303 34 34 ILE HA H 4.015 0.030 1 304 34 34 ILE CB C 37.645 0.300 1 305 34 34 ILE HB H 1.633 0.030 1 306 34 34 ILE CG1 C 26.749 0.300 1 307 34 34 ILE HG12 H 0.914 0.030 2 308 34 34 ILE HG13 H 0.734 0.030 2 309 34 34 ILE CG2 C 16.483 0.300 1 310 34 34 ILE HG2 H 0.488 0.030 1 311 34 34 ILE CD1 C 14.296 0.300 1 312 34 34 ILE HD1 H 0.675 0.030 1 313 34 34 ILE C C 177.413 0.300 1 314 35 35 HIS N N 117.927 0.300 1 315 35 35 HIS H H 7.318 0.030 1 316 35 35 HIS CA C 55.214 0.300 1 317 35 35 HIS HA H 4.843 0.030 1 318 35 35 HIS CB C 28.625 0.300 1 319 35 35 HIS HB2 H 3.333 0.030 2 320 35 35 HIS HB3 H 3.176 0.030 2 321 35 35 HIS CD2 C 127.704 0.300 1 322 35 35 HIS HD2 H 6.724 0.030 1 323 35 35 HIS CE1 C 140.057 0.300 1 324 35 35 HIS HE1 H 8.033 0.030 1 325 35 35 HIS C C 175.767 0.300 1 326 36 36 THR N N 111.953 0.300 1 327 36 36 THR H H 7.787 0.030 1 328 36 36 THR CA C 62.359 0.300 1 329 36 36 THR HA H 4.329 0.030 1 330 36 36 THR CB C 69.674 0.300 1 331 36 36 THR HB H 4.311 0.030 1 332 36 36 THR CG2 C 21.561 0.300 1 333 36 36 THR HG2 H 1.206 0.030 1 334 36 36 THR C C 175.402 0.300 1 335 37 37 GLY N N 110.854 0.300 1 336 37 37 GLY H H 8.240 0.030 1 337 37 37 GLY CA C 45.374 0.300 1 338 37 37 GLY HA2 H 3.969 0.030 1 339 37 37 GLY HA3 H 3.969 0.030 1 340 37 37 GLY C C 174.095 0.300 1 341 38 38 GLU N N 120.594 0.300 1 342 38 38 GLU H H 8.078 0.030 1 343 38 38 GLU CA C 56.370 0.300 1 344 38 38 GLU HA H 4.216 0.030 1 345 38 38 GLU CB C 30.465 0.300 1 346 38 38 GLU HB2 H 1.964 0.030 2 347 38 38 GLU HB3 H 1.868 0.030 2 348 38 38 GLU CG C 36.168 0.300 1 349 38 38 GLU HG2 H 2.235 0.030 2 350 38 38 GLU HG3 H 2.187 0.030 2 351 38 38 GLU C C 176.250 0.300 1 352 39 39 LYS N N 123.816 0.300 1 353 39 39 LYS H H 8.397 0.030 1 354 39 39 LYS CA C 54.085 0.300 1 355 39 39 LYS HA H 4.574 0.030 1 356 39 39 LYS CB C 32.412 0.300 1 357 39 39 LYS HB2 H 1.781 0.030 2 358 39 39 LYS HB3 H 1.693 0.030 2 359 39 39 LYS CG C 24.472 0.300 1 360 39 39 LYS HG2 H 1.437 0.030 2 361 39 39 LYS CE C 42.151 0.300 1 362 39 39 LYS HE2 H 2.979 0.030 2 363 39 39 LYS C C 174.477 0.300 1 364 40 40 PRO CA C 63.185 0.300 1 365 40 40 PRO HA H 4.439 0.030 1 366 40 40 PRO CB C 32.140 0.300 1 367 40 40 PRO HB2 H 2.277 0.030 1 368 40 40 PRO HB3 H 2.277 0.030 1 369 40 40 PRO CG C 27.484 0.300 1 370 40 40 PRO HG2 H 1.991 0.030 1 371 40 40 PRO HG3 H 1.991 0.030 1 372 40 40 PRO CD C 50.638 0.300 1 373 40 40 PRO HD2 H 3.611 0.030 2 374 40 40 PRO HD3 H 3.791 0.030 2 stop_ save_