data_10173 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 592-624) of human Zinc finger protein 347 ; _BMRB_accession_number 10173 _BMRB_flat_file_name bmr10173.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" 211 "13C chemical shifts" 150 "15N chemical shifts" 32 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 592-624) 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 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 ; GSSGSSGTGEKPYKCNECGK VFRHNSYLSRHQRIHTGEKP 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 ARG 24 HIS 25 ASN 26 SER 27 TYR 28 LEU 29 SER 30 ARG 31 HIS 32 GLN 33 ARG 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 PDB 2ENE "Solution Structure Of The C2h2 Type Zinc Finger (region 592- 624) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 2.54e-23 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 P070115-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 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 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 CA C 45.404 0.300 1 2 7 7 GLY HA3 H 4.019 0.030 1 3 7 7 GLY C C 174.534 0.300 1 4 7 7 GLY HA2 H 4.019 0.030 1 5 8 8 THR N N 112.887 0.300 1 6 8 8 THR H H 8.161 0.030 1 7 8 8 THR CA C 61.885 0.300 1 8 8 8 THR HA H 4.366 0.030 1 9 8 8 THR CB C 69.813 0.300 1 10 8 8 THR HB H 4.293 0.030 1 11 8 8 THR CG2 C 21.567 0.300 1 12 8 8 THR HG2 H 1.199 0.030 1 13 8 8 THR C C 175.242 0.300 1 14 9 9 GLY N N 110.959 0.300 1 15 9 9 GLY H H 8.457 0.030 1 16 9 9 GLY CA C 45.259 0.300 1 17 9 9 GLY HA3 H 3.931 0.030 1 18 9 9 GLY C C 174.041 0.300 1 19 9 9 GLY HA2 H 3.931 0.030 1 20 10 10 GLU N N 120.453 0.300 1 21 10 10 GLU H H 8.222 0.030 1 22 10 10 GLU CA C 56.686 0.300 1 23 10 10 GLU HA H 4.229 0.030 1 24 10 10 GLU CB C 30.533 0.300 1 25 10 10 GLU HB3 H 1.901 0.030 2 26 10 10 GLU CG C 36.299 0.300 1 27 10 10 GLU HG3 H 2.214 0.030 2 28 10 10 GLU C C 176.213 0.300 1 29 10 10 GLU HB2 H 2.002 0.030 2 30 10 10 GLU HG2 H 2.267 0.030 2 31 11 11 LYS N N 122.472 0.300 1 32 11 11 LYS H H 8.251 0.030 1 33 11 11 LYS CA C 53.888 0.300 1 34 11 11 LYS HA H 4.524 0.030 1 35 11 11 LYS CB C 32.818 0.300 1 36 11 11 LYS HB3 H 1.575 0.030 2 37 11 11 LYS CG C 24.803 0.300 1 38 11 11 LYS HG3 H 1.326 0.030 2 39 11 11 LYS CD C 29.560 0.300 1 40 11 11 LYS HD3 H 1.564 0.030 1 41 11 11 LYS CE C 42.041 0.300 1 42 11 11 LYS HE3 H 2.913 0.030 1 43 11 11 LYS C C 173.839 0.300 1 44 11 11 LYS HB2 H 1.599 0.030 2 45 11 11 LYS HD2 H 1.564 0.030 1 46 11 11 LYS HE2 H 2.913 0.030 1 47 11 11 LYS HG2 H 1.195 0.030 2 48 12 12 PRO CA C 62.929 0.300 1 49 12 12 PRO HA H 4.338 0.030 1 50 12 12 PRO CB C 32.388 0.300 1 51 12 12 PRO HB3 H 2.038 0.030 2 52 12 12 PRO CG C 26.737 0.300 1 53 12 12 PRO HG3 H 1.685 0.030 2 54 12 12 PRO CD C 50.187 0.300 1 55 12 12 PRO HD3 H 3.556 0.030 2 56 12 12 PRO C C 176.346 0.300 1 57 12 12 PRO HB2 H 1.488 0.030 2 58 12 12 PRO HD2 H 3.637 0.030 2 59 12 12 PRO HG2 H 1.852 0.030 2 60 13 13 TYR N N 119.836 0.300 1 61 13 13 TYR H H 8.099 0.030 1 62 13 13 TYR CA C 57.638 0.300 1 63 13 13 TYR HA H 4.565 0.030 1 64 13 13 TYR CB C 38.246 0.300 1 65 13 13 TYR HB3 H 2.866 0.030 2 66 13 13 TYR CD1 C 133.205 0.300 1 67 13 13 TYR HD1 H 6.986 0.030 1 68 13 13 TYR CD2 C 133.205 0.300 1 69 13 13 TYR HD2 H 6.986 0.030 1 70 13 13 TYR CE1 C 118.406 0.300 1 71 13 13 TYR HE1 H 6.828 0.030 1 72 13 13 TYR CE2 C 118.406 0.300 1 73 13 13 TYR HE2 H 6.828 0.030 1 74 13 13 TYR C C 174.063 0.300 1 75 13 13 TYR HB2 H 2.930 0.030 2 76 14 14 LYS N N 125.222 0.300 1 77 14 14 LYS H H 8.437 0.030 1 78 14 14 LYS CA C 54.846 0.300 1 79 14 14 LYS HA H 5.044 0.030 1 80 14 14 LYS CB C 36.065 0.300 1 81 14 14 LYS HB3 H 1.489 0.030 2 82 14 14 LYS CG C 24.400 0.300 1 83 14 14 LYS HG3 H 1.057 0.030 2 84 14 14 LYS CD C 29.591 0.300 1 85 14 14 LYS HD3 H 1.565 0.030 1 86 14 14 LYS CE C 42.008 0.300 1 87 14 14 LYS HE3 H 2.914 0.030 1 88 14 14 LYS C C 174.999 0.300 1 89 14 14 LYS HB2 H 1.728 0.030 2 90 14 14 LYS HD2 H 1.565 0.030 1 91 14 14 LYS HE2 H 2.914 0.030 1 92 14 14 LYS HG2 H 1.134 0.030 2 93 15 15 CYS N N 127.756 0.300 1 94 15 15 CYS H H 9.327 0.030 1 95 15 15 CYS CA C 59.366 0.300 1 96 15 15 CYS HA H 4.576 0.030 1 97 15 15 CYS CB C 29.545 0.300 1 98 15 15 CYS HB3 H 3.407 0.030 2 99 15 15 CYS C C 176.864 0.300 1 100 15 15 CYS HB2 H 2.863 0.030 2 101 16 16 ASN N N 130.374 0.300 1 102 16 16 ASN H H 9.432 0.030 1 103 16 16 ASN CA C 55.639 0.300 1 104 16 16 ASN HA H 4.517 0.030 1 105 16 16 ASN CB C 38.395 0.300 1 106 16 16 ASN HB3 H 2.878 0.030 1 107 16 16 ASN ND2 N 113.465 0.300 1 108 16 16 ASN HD21 H 7.693 0.030 2 109 16 16 ASN HD22 H 6.979 0.030 2 110 16 16 ASN C C 175.480 0.300 1 111 16 16 ASN HB2 H 2.878 0.030 1 112 17 17 GLU N N 120.722 0.300 1 113 17 17 GLU H H 8.665 0.030 1 114 17 17 GLU CA C 58.443 0.300 1 115 17 17 GLU HA H 4.213 0.030 1 116 17 17 GLU CB C 29.431 0.300 1 117 17 17 GLU HB3 H 1.342 0.030 1 118 17 17 GLU CG C 35.742 0.300 1 119 17 17 GLU HG3 H 1.891 0.030 2 120 17 17 GLU C C 177.092 0.300 1 121 17 17 GLU HB2 H 1.342 0.030 1 122 17 17 GLU HG2 H 1.789 0.030 2 123 18 18 CYS N N 114.544 0.300 1 124 18 18 CYS H H 7.925 0.030 1 125 18 18 CYS CA C 58.372 0.300 1 126 18 18 CYS HA H 5.179 0.030 1 127 18 18 CYS CB C 32.404 0.300 1 128 18 18 CYS HB3 H 3.444 0.030 2 129 18 18 CYS C C 176.255 0.300 1 130 18 18 CYS HB2 H 2.885 0.030 2 131 19 19 GLY N N 113.579 0.300 1 132 19 19 GLY H H 8.223 0.030 1 133 19 19 GLY CA C 46.317 0.300 1 134 19 19 GLY HA3 H 4.247 0.030 2 135 19 19 GLY C C 173.572 0.300 1 136 19 19 GLY HA2 H 3.732 0.030 2 137 20 20 LYS N N 122.482 0.300 1 138 20 20 LYS H H 7.873 0.030 1 139 20 20 LYS CA C 58.246 0.300 1 140 20 20 LYS HA H 4.002 0.030 1 141 20 20 LYS CB C 33.912 0.300 1 142 20 20 LYS HB3 H 1.226 0.030 2 143 20 20 LYS CG C 26.537 0.300 1 144 20 20 LYS HG3 H 1.493 0.030 2 145 20 20 LYS CD C 29.329 0.300 1 146 20 20 LYS HD3 H 1.470 0.030 2 147 20 20 LYS CE C 42.267 0.300 1 148 20 20 LYS HE3 H 2.995 0.030 1 149 20 20 LYS C C 174.324 0.300 1 150 20 20 LYS HB2 H 1.375 0.030 2 151 20 20 LYS HD2 H 1.509 0.030 2 152 20 20 LYS HE2 H 2.995 0.030 1 153 20 20 LYS HG2 H 1.102 0.030 2 154 21 21 VAL N N 116.394 0.300 1 155 21 21 VAL H H 7.573 0.030 1 156 21 21 VAL CA C 60.262 0.300 1 157 21 21 VAL HA H 4.816 0.030 1 158 21 21 VAL CB C 33.936 0.300 1 159 21 21 VAL HB H 1.868 0.030 1 160 21 21 VAL CG1 C 21.926 0.300 2 161 21 21 VAL HG1 H 0.811 0.030 1 162 21 21 VAL CG2 C 20.205 0.300 2 163 21 21 VAL HG2 H 0.799 0.030 1 164 21 21 VAL C C 175.317 0.300 1 165 22 22 PHE N N 120.431 0.300 1 166 22 22 PHE H H 8.792 0.030 1 167 22 22 PHE CA C 56.890 0.300 1 168 22 22 PHE HA H 4.824 0.030 1 169 22 22 PHE CB C 44.119 0.300 1 170 22 22 PHE HB3 H 2.765 0.030 2 171 22 22 PHE CD1 C 132.373 0.300 1 172 22 22 PHE HD1 H 7.288 0.030 1 173 22 22 PHE CD2 C 132.373 0.300 1 174 22 22 PHE HD2 H 7.288 0.030 1 175 22 22 PHE CE1 C 130.752 0.300 1 176 22 22 PHE HE1 H 6.878 0.030 1 177 22 22 PHE CE2 C 130.752 0.300 1 178 22 22 PHE HE2 H 6.878 0.030 1 179 22 22 PHE CZ C 128.899 0.300 1 180 22 22 PHE HZ H 6.193 0.030 1 181 22 22 PHE C C 175.683 0.300 1 182 22 22 PHE HB2 H 3.406 0.030 2 183 23 23 ARG N N 119.340 0.300 1 184 23 23 ARG H H 9.329 0.030 1 185 23 23 ARG CA C 57.346 0.300 1 186 23 23 ARG HA H 4.466 0.030 1 187 23 23 ARG CB C 31.371 0.300 1 188 23 23 ARG HB3 H 1.837 0.030 1 189 23 23 ARG CG C 27.469 0.300 1 190 23 23 ARG HG3 H 1.554 0.030 2 191 23 23 ARG CD C 43.218 0.300 1 192 23 23 ARG HD3 H 3.210 0.030 1 193 23 23 ARG C C 175.065 0.300 1 194 23 23 ARG HB2 H 1.837 0.030 1 195 23 23 ARG HD2 H 3.210 0.030 1 196 23 23 ARG HG2 H 1.634 0.030 2 197 24 24 HIS N N 113.216 0.300 1 198 24 24 HIS H H 7.128 0.030 1 199 24 24 HIS CA C 55.437 0.300 1 200 24 24 HIS HA H 4.657 0.030 1 201 24 24 HIS CB C 34.517 0.300 1 202 24 24 HIS HB3 H 2.554 0.030 2 203 24 24 HIS CD2 C 119.601 0.300 1 204 24 24 HIS HD2 H 6.912 0.030 1 205 24 24 HIS CE1 C 139.000 0.300 1 206 24 24 HIS HE1 H 7.723 0.030 1 207 24 24 HIS C C 175.558 0.300 1 208 24 24 HIS HB2 H 2.737 0.030 2 209 25 25 ASN CA C 56.177 0.300 1 210 25 25 ASN HA H 3.662 0.030 1 211 25 25 ASN CB C 38.311 0.300 1 212 25 25 ASN HB3 H 2.165 0.030 2 213 25 25 ASN ND2 N 112.807 0.300 1 214 25 25 ASN HD21 H 7.360 0.030 2 215 25 25 ASN HD22 H 6.803 0.030 2 216 25 25 ASN HB2 H 2.334 0.030 2 217 26 26 SER CA C 61.298 0.300 1 218 26 26 SER HA H 4.085 0.030 1 219 26 26 SER CB C 61.728 0.300 1 220 26 26 SER HB3 H 3.755 0.030 2 221 26 26 SER C C 177.140 0.300 1 222 26 26 SER HB2 H 3.882 0.030 2 223 27 27 TYR N N 121.463 0.300 1 224 27 27 TYR H H 6.951 0.030 1 225 27 27 TYR CA C 58.633 0.300 1 226 27 27 TYR HA H 4.342 0.030 1 227 27 27 TYR CB C 37.464 0.300 1 228 27 27 TYR HB3 H 3.212 0.030 2 229 27 27 TYR CD1 C 132.208 0.300 1 230 27 27 TYR HD1 H 7.282 0.030 1 231 27 27 TYR CD2 C 132.208 0.300 1 232 27 27 TYR HD2 H 7.282 0.030 1 233 27 27 TYR CE1 C 118.727 0.300 1 234 27 27 TYR HE1 H 6.882 0.030 1 235 27 27 TYR CE2 C 118.727 0.300 1 236 27 27 TYR HE2 H 6.882 0.030 1 237 27 27 TYR C C 178.472 0.300 1 238 27 27 TYR HB2 H 3.299 0.030 2 239 28 28 LEU N N 122.153 0.300 1 240 28 28 LEU H H 7.064 0.030 1 241 28 28 LEU CA C 58.022 0.300 1 242 28 28 LEU HA H 3.260 0.030 1 243 28 28 LEU CB C 40.390 0.300 1 244 28 28 LEU HB3 H 2.012 0.030 2 245 28 28 LEU CG C 27.528 0.300 1 246 28 28 LEU HG H 1.526 0.030 1 247 28 28 LEU CD1 C 22.975 0.300 2 248 28 28 LEU HD1 H 1.008 0.030 1 249 28 28 LEU CD2 C 26.385 0.300 2 250 28 28 LEU HD2 H 1.032 0.030 1 251 28 28 LEU C C 177.619 0.300 1 252 28 28 LEU HB2 H 1.239 0.030 2 253 29 29 SER N N 114.652 0.300 1 254 29 29 SER H H 8.415 0.030 1 255 29 29 SER CA C 61.724 0.300 1 256 29 29 SER HA H 4.222 0.030 1 257 29 29 SER CB C 62.466 0.300 1 258 29 29 SER HB3 H 3.857 0.030 1 259 29 29 SER C C 177.182 0.300 1 260 29 29 SER HB2 H 3.857 0.030 1 261 30 30 ARG N N 119.728 0.300 1 262 30 30 ARG H H 7.390 0.030 1 263 30 30 ARG CA C 59.144 0.300 1 264 30 30 ARG HA H 3.997 0.030 1 265 30 30 ARG CB C 30.280 0.300 1 266 30 30 ARG HB3 H 1.837 0.030 1 267 30 30 ARG CG C 27.366 0.300 1 268 30 30 ARG HG3 H 1.611 0.030 2 269 30 30 ARG CD C 43.559 0.300 1 270 30 30 ARG HD3 H 3.152 0.030 1 271 30 30 ARG C C 178.647 0.300 1 272 30 30 ARG HB2 H 1.837 0.030 1 273 30 30 ARG HD2 H 3.152 0.030 1 274 30 30 ARG HG2 H 1.735 0.030 2 275 31 31 HIS N N 119.367 0.300 1 276 31 31 HIS H H 7.628 0.030 1 277 31 31 HIS CA C 59.077 0.300 1 278 31 31 HIS HA H 4.224 0.030 1 279 31 31 HIS CB C 28.526 0.300 1 280 31 31 HIS HB3 H 3.156 0.030 2 281 31 31 HIS CD2 C 127.221 0.300 1 282 31 31 HIS HD2 H 6.951 0.030 1 283 31 31 HIS CE1 C 139.675 0.300 1 284 31 31 HIS HE1 H 8.064 0.030 1 285 31 31 HIS C C 176.140 0.300 1 286 31 31 HIS HB2 H 2.919 0.030 2 287 32 32 GLN N N 115.298 0.300 1 288 32 32 GLN H H 8.337 0.030 1 289 32 32 GLN CA C 59.342 0.300 1 290 32 32 GLN HA H 3.709 0.030 1 291 32 32 GLN CB C 28.352 0.300 1 292 32 32 GLN HB3 H 2.226 0.030 2 293 32 32 GLN CG C 35.279 0.300 1 294 32 32 GLN HG3 H 2.803 0.030 1 295 32 32 GLN NE2 N 112.569 0.300 1 296 32 32 GLN HE21 H 7.583 0.030 2 297 32 32 GLN HE22 H 7.062 0.030 2 298 32 32 GLN HB2 H 2.307 0.030 2 299 32 32 GLN HG2 H 2.803 0.030 1 300 33 33 ARG N N 117.159 0.300 1 301 33 33 ARG H H 7.099 0.030 1 302 33 33 ARG CA C 58.300 0.300 1 303 33 33 ARG HA H 4.144 0.030 1 304 33 33 ARG CB C 30.024 0.300 1 305 33 33 ARG HB3 H 1.789 0.030 2 306 33 33 ARG CG C 27.373 0.300 1 307 33 33 ARG HG3 H 1.817 0.030 2 308 33 33 ARG CD C 43.442 0.300 1 309 33 33 ARG HD3 H 3.192 0.030 1 310 33 33 ARG C C 178.505 0.300 1 311 33 33 ARG HB2 H 1.885 0.030 2 312 33 33 ARG HD2 H 3.192 0.030 1 313 33 33 ARG HG2 H 1.690 0.030 2 314 34 34 ILE N N 116.468 0.300 1 315 34 34 ILE H H 7.818 0.030 1 316 34 34 ILE CA C 63.072 0.300 1 317 34 34 ILE HA H 3.975 0.030 1 318 34 34 ILE CB C 37.673 0.300 1 319 34 34 ILE HB H 1.672 0.030 1 320 34 34 ILE CG1 C 26.811 0.300 1 321 34 34 ILE HG13 H 0.801 0.030 2 322 34 34 ILE CG2 C 16.538 0.300 1 323 34 34 ILE HG2 H 0.576 0.030 1 324 34 34 ILE CD1 C 14.305 0.300 1 325 34 34 ILE HD1 H 0.711 0.030 1 326 34 34 ILE C C 177.406 0.300 1 327 34 34 ILE HG12 H 0.949 0.030 2 328 35 35 HIS N N 117.692 0.300 1 329 35 35 HIS H H 7.220 0.030 1 330 35 35 HIS CA C 55.298 0.300 1 331 35 35 HIS HA H 4.858 0.030 1 332 35 35 HIS CB C 28.597 0.300 1 333 35 35 HIS HB3 H 3.240 0.030 2 334 35 35 HIS CD2 C 127.696 0.300 1 335 35 35 HIS HD2 H 6.772 0.030 1 336 35 35 HIS CE1 C 140.015 0.300 1 337 35 35 HIS HE1 H 8.066 0.030 1 338 35 35 HIS C C 175.834 0.300 1 339 35 35 HIS HB2 H 3.354 0.030 2 340 36 36 THR N N 111.637 0.300 1 341 36 36 THR H H 7.791 0.030 1 342 36 36 THR CA C 62.508 0.300 1 343 36 36 THR HA H 4.358 0.030 1 344 36 36 THR CB C 69.805 0.300 1 345 36 36 THR HB H 4.332 0.030 1 346 36 36 THR CG2 C 21.632 0.300 1 347 36 36 THR HG2 H 1.242 0.030 1 348 36 36 THR C C 175.472 0.300 1 349 37 37 GLY N N 110.597 0.300 1 350 37 37 GLY H H 8.215 0.030 1 351 37 37 GLY CA C 45.345 0.300 1 352 37 37 GLY HA3 H 3.941 0.030 2 353 37 37 GLY C C 174.037 0.300 1 354 37 37 GLY HA2 H 4.036 0.030 2 355 38 38 GLU N N 120.595 0.300 1 356 38 38 GLU H H 8.082 0.030 1 357 38 38 GLU CA C 56.438 0.300 1 358 38 38 GLU HA H 4.244 0.030 1 359 38 38 GLU CB C 30.533 0.300 1 360 38 38 GLU HB3 H 1.898 0.030 2 361 38 38 GLU CG C 36.282 0.300 1 362 38 38 GLU HG3 H 2.268 0.030 2 363 38 38 GLU C C 176.198 0.300 1 364 38 38 GLU HB2 H 1.984 0.030 2 365 38 38 GLU HG2 H 2.220 0.030 2 366 39 39 LYS N N 123.862 0.300 1 367 39 39 LYS H H 8.413 0.030 1 368 39 39 LYS CA C 54.115 0.300 1 369 39 39 LYS HA H 4.602 0.030 1 370 39 39 LYS CB C 32.503 0.300 1 371 39 39 LYS HB3 H 1.817 0.030 2 372 39 39 LYS CG C 24.491 0.300 1 373 39 39 LYS HG3 H 1.478 0.030 1 374 39 39 LYS CD C 29.172 0.300 1 375 39 39 LYS HD3 H 1.687 0.030 1 376 39 39 LYS CE C 42.201 0.300 1 377 39 39 LYS HE3 H 2.976 0.030 1 378 39 39 LYS C C 174.491 0.300 1 379 39 39 LYS HB2 H 1.727 0.030 2 380 39 39 LYS HD2 H 1.687 0.030 1 381 39 39 LYS HE2 H 2.976 0.030 1 382 39 39 LYS HG2 H 1.478 0.030 1 383 40 40 PRO CA C 63.230 0.300 1 384 40 40 PRO HA H 4.457 0.030 1 385 40 40 PRO CB C 32.215 0.300 1 386 40 40 PRO HB3 H 1.930 0.030 2 387 40 40 PRO CG C 27.300 0.300 1 388 40 40 PRO HG3 H 2.010 0.030 1 389 40 40 PRO CD C 50.630 0.300 1 390 40 40 PRO HD3 H 3.641 0.030 2 391 40 40 PRO HB2 H 2.302 0.030 2 392 40 40 PRO HD2 H 3.817 0.030 2 393 40 40 PRO HG2 H 2.010 0.030 1 stop_ save_