data_10188 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 564-596) of human Zinc finger protein 347 ; _BMRB_accession_number 10188 _BMRB_flat_file_name bmr10188.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" 216 "13C chemical shifts" 157 "15N chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-26 original author . stop_ _Original_release_date 2009-02-26 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 564-596) 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 VFTQNSHLARHRGIHTGEKP 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 ALA 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 10174 zf-C2H2 80.43 46 97.30 97.30 2.07e-17 BMRB 11168 zf-C2H2 80.43 46 97.30 100.00 2.54e-17 PDB 2ENF "Solution Structure Of The C2h2 Type Zinc Finger (Region 340- 372) Of Human Zinc Finger Protein 347" 80.43 46 97.30 97.30 2.07e-17 PDB 2YTI "Solution Structure Of The C2h2 Type Zinc Finger (Region 564- 596) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 3.47e-23 PDB 2YTN "Solution Structure Of The C2h2 Type Zinc Finger (Region 732- 764) Of Human Zinc Finger Protein 347" 80.43 46 97.30 100.00 2.54e-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 P070115-15 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 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 8 8 THR N N 112.857 0.300 1 2 8 8 THR H H 8.147 0.030 1 3 8 8 THR CA C 61.875 0.300 1 4 8 8 THR HA H 4.345 0.030 1 5 8 8 THR CB C 70.012 0.300 1 6 8 8 THR HB H 4.436 0.030 1 7 8 8 THR CG2 C 21.395 0.300 1 8 8 8 THR HG2 H 1.226 0.030 1 9 8 8 THR C C 175.287 0.300 1 10 9 9 GLY N N 110.887 0.300 1 11 9 9 GLY H H 8.241 0.030 1 12 9 9 GLY CA C 45.373 0.300 1 13 9 9 GLY HA2 H 4.009 0.030 2 14 9 9 GLY HA3 H 3.917 0.030 2 15 9 9 GLY C C 174.121 0.300 1 16 10 10 GLU N N 120.584 0.300 1 17 10 10 GLU H H 8.075 0.030 1 18 10 10 GLU CA C 56.436 0.300 1 19 10 10 GLU HA H 4.224 0.030 1 20 10 10 GLU CB C 30.465 0.300 1 21 10 10 GLU HB2 H 1.868 0.030 2 22 10 10 GLU HB3 H 1.970 0.030 2 23 10 10 GLU CG C 36.235 0.300 1 24 10 10 GLU HG2 H 2.238 0.030 2 25 10 10 GLU HG3 H 2.191 0.030 2 26 10 10 GLU C C 176.282 0.300 1 27 11 11 LYS N N 123.004 0.300 1 28 11 11 LYS H H 8.295 0.030 1 29 11 11 LYS CA C 53.874 0.300 1 30 11 11 LYS HA H 4.515 0.030 1 31 11 11 LYS CB C 32.609 0.300 1 32 11 11 LYS HB2 H 1.609 0.030 1 33 11 11 LYS HB3 H 1.609 0.030 1 34 11 11 LYS CG C 24.624 0.300 1 35 11 11 LYS HG2 H 1.326 0.030 2 36 11 11 LYS HG3 H 1.276 0.030 2 37 11 11 LYS CD C 29.287 0.300 1 38 11 11 LYS HD2 H 1.567 0.030 1 39 11 11 LYS HD3 H 1.567 0.030 1 40 11 11 LYS CE C 42.007 0.300 1 41 11 11 LYS HE2 H 2.892 0.030 1 42 11 11 LYS HE3 H 2.892 0.030 1 43 11 11 LYS C C 174.534 0.300 1 44 12 12 PRO CA C 62.928 0.300 1 45 12 12 PRO HA H 4.296 0.030 1 46 12 12 PRO CB C 32.274 0.300 1 47 12 12 PRO HB2 H 2.040 0.030 2 48 12 12 PRO HB3 H 1.457 0.030 2 49 12 12 PRO CG C 26.801 0.300 1 50 12 12 PRO HG2 H 1.848 0.030 2 51 12 12 PRO HG3 H 1.698 0.030 2 52 12 12 PRO CD C 50.224 0.300 1 53 12 12 PRO HD2 H 3.622 0.030 2 54 12 12 PRO HD3 H 3.528 0.030 2 55 12 12 PRO C C 176.489 0.300 1 56 13 13 TYR N N 119.870 0.300 1 57 13 13 TYR H H 8.106 0.030 1 58 13 13 TYR CA C 57.209 0.300 1 59 13 13 TYR HA H 4.588 0.030 1 60 13 13 TYR CB C 38.107 0.300 1 61 13 13 TYR HB2 H 2.881 0.030 1 62 13 13 TYR HB3 H 2.881 0.030 1 63 13 13 TYR CD1 C 133.137 0.300 1 64 13 13 TYR HD1 H 6.939 0.030 1 65 13 13 TYR CD2 C 133.137 0.300 1 66 13 13 TYR HD2 H 6.939 0.030 1 67 13 13 TYR CE1 C 118.275 0.300 1 68 13 13 TYR HE1 H 6.796 0.030 1 69 13 13 TYR CE2 C 118.275 0.300 1 70 13 13 TYR HE2 H 6.796 0.030 1 71 13 13 TYR C C 174.089 0.300 1 72 14 14 LYS N N 124.673 0.300 1 73 14 14 LYS H H 8.358 0.030 1 74 14 14 LYS CA C 54.730 0.300 1 75 14 14 LYS HA H 5.077 0.030 1 76 14 14 LYS CB C 36.068 0.300 1 77 14 14 LYS HB2 H 1.700 0.030 2 78 14 14 LYS HB3 H 1.477 0.030 2 79 14 14 LYS CG C 24.378 0.300 1 80 14 14 LYS HG2 H 1.114 0.030 2 81 14 14 LYS HG3 H 1.030 0.030 2 82 14 14 LYS CD C 29.586 0.300 1 83 14 14 LYS HD2 H 1.541 0.030 1 84 14 14 LYS HD3 H 1.541 0.030 1 85 14 14 LYS CE C 42.206 0.300 1 86 14 14 LYS HE2 H 2.909 0.030 1 87 14 14 LYS HE3 H 2.909 0.030 1 88 14 14 LYS C C 175.181 0.300 1 89 15 15 CYS N N 127.857 0.300 1 90 15 15 CYS H H 9.307 0.030 1 91 15 15 CYS CA C 59.474 0.300 1 92 15 15 CYS HA H 4.524 0.030 1 93 15 15 CYS CB C 29.634 0.300 1 94 15 15 CYS HB2 H 2.827 0.030 2 95 15 15 CYS HB3 H 3.365 0.030 2 96 15 15 CYS C C 176.857 0.300 1 97 16 16 ASN CA C 55.608 0.300 1 98 16 16 ASN HA H 4.497 0.030 1 99 16 16 ASN CB C 38.265 0.300 1 100 16 16 ASN HB2 H 2.859 0.030 1 101 16 16 ASN HB3 H 2.859 0.030 1 102 16 16 ASN ND2 N 113.537 0.300 1 103 16 16 ASN HD21 H 6.993 0.030 2 104 16 16 ASN HD22 H 7.677 0.030 2 105 16 16 ASN C C 175.434 0.300 1 106 17 17 GLU N N 120.770 0.300 1 107 17 17 GLU H H 8.702 0.030 1 108 17 17 GLU CA C 58.818 0.300 1 109 17 17 GLU HA H 4.184 0.030 1 110 17 17 GLU CB C 29.358 0.300 1 111 17 17 GLU HB2 H 1.286 0.030 1 112 17 17 GLU HB3 H 1.286 0.030 1 113 17 17 GLU CG C 36.223 0.300 1 114 17 17 GLU HG2 H 1.909 0.030 2 115 17 17 GLU HG3 H 1.863 0.030 2 116 17 17 GLU C C 177.178 0.300 1 117 18 18 CYS N N 127.684 0.300 1 118 18 18 CYS H H 7.913 0.030 1 119 18 18 CYS CA C 58.271 0.300 1 120 18 18 CYS HA H 5.140 0.030 1 121 18 18 CYS CB C 32.384 0.300 1 122 18 18 CYS HB2 H 3.418 0.030 2 123 18 18 CYS HB3 H 2.860 0.030 2 124 18 18 CYS C C 176.250 0.300 1 125 19 19 GLY N N 113.588 0.300 1 126 19 19 GLY H H 8.163 0.030 1 127 19 19 GLY CA C 46.206 0.300 1 128 19 19 GLY HA2 H 4.213 0.030 2 129 19 19 GLY HA3 H 3.710 0.030 2 130 19 19 GLY C C 173.538 0.300 1 131 20 20 LYS N N 122.672 0.300 1 132 20 20 LYS H H 7.898 0.030 1 133 20 20 LYS CA C 58.243 0.300 1 134 20 20 LYS HA H 3.956 0.030 1 135 20 20 LYS CB C 33.796 0.300 1 136 20 20 LYS HB2 H 1.400 0.030 2 137 20 20 LYS HB3 H 1.168 0.030 2 138 20 20 LYS CG C 26.351 0.300 1 139 20 20 LYS HG2 H 0.992 0.030 2 140 20 20 LYS HG3 H 1.401 0.030 2 141 20 20 LYS CD C 29.283 0.300 1 142 20 20 LYS HD2 H 1.408 0.030 2 143 20 20 LYS HD3 H 1.484 0.030 2 144 20 20 LYS CE C 42.166 0.300 1 145 20 20 LYS HE2 H 2.954 0.030 2 146 20 20 LYS HE3 H 2.883 0.030 2 147 20 20 LYS C C 174.305 0.300 1 148 21 21 VAL N N 117.669 0.300 1 149 21 21 VAL H H 7.616 0.030 1 150 21 21 VAL CA C 60.531 0.300 1 151 21 21 VAL HA H 4.729 0.030 1 152 21 21 VAL CB C 33.937 0.300 1 153 21 21 VAL HB H 1.828 0.030 1 154 21 21 VAL CG1 C 21.929 0.300 2 155 21 21 VAL HG1 H 0.806 0.030 1 156 21 21 VAL CG2 C 20.423 0.300 2 157 21 21 VAL HG2 H 0.799 0.030 1 158 21 21 VAL C C 175.221 0.300 1 159 22 22 PHE N N 121.686 0.300 1 160 22 22 PHE H H 8.732 0.030 1 161 22 22 PHE CA C 56.827 0.300 1 162 22 22 PHE HA H 4.874 0.030 1 163 22 22 PHE CB C 43.461 0.300 1 164 22 22 PHE HB2 H 3.481 0.030 2 165 22 22 PHE HB3 H 2.735 0.030 2 166 22 22 PHE CD1 C 132.409 0.300 1 167 22 22 PHE HD1 H 7.261 0.030 1 168 22 22 PHE CD2 C 132.409 0.300 1 169 22 22 PHE HD2 H 7.261 0.030 1 170 22 22 PHE CE1 C 130.638 0.300 1 171 22 22 PHE HE1 H 6.825 0.030 1 172 22 22 PHE CE2 C 130.638 0.300 1 173 22 22 PHE HE2 H 6.825 0.030 1 174 22 22 PHE CZ C 128.643 0.300 1 175 22 22 PHE HZ H 6.102 0.030 1 176 22 22 PHE C C 175.698 0.300 1 177 23 23 THR N N 111.308 0.300 1 178 23 23 THR H H 9.483 0.030 1 179 23 23 THR CA C 63.243 0.300 1 180 23 23 THR HA H 4.536 0.030 1 181 23 23 THR CB C 69.668 0.300 1 182 23 23 THR HB H 4.462 0.030 1 183 23 23 THR CG2 C 22.391 0.300 1 184 23 23 THR HG2 H 1.325 0.030 1 185 23 23 THR C C 174.904 0.300 1 186 24 24 GLN N N 128.363 0.300 1 187 24 24 GLN H H 7.069 0.030 1 188 24 24 GLN CA C 54.007 0.300 1 189 24 24 GLN HA H 4.503 0.030 1 190 24 24 GLN CB C 31.943 0.300 1 191 24 24 GLN HB2 H 1.917 0.030 2 192 24 24 GLN HB3 H 0.956 0.030 2 193 24 24 GLN CG C 33.240 0.300 1 194 24 24 GLN HG2 H 2.024 0.030 2 195 24 24 GLN HG3 H 2.116 0.030 2 196 24 24 GLN NE2 N 118.399 0.300 1 197 24 24 GLN HE21 H 7.308 0.030 2 198 24 24 GLN HE22 H 6.814 0.030 2 199 24 24 GLN C C 175.897 0.300 1 200 25 25 ASN CA C 56.162 0.300 1 201 25 25 ASN HA H 3.578 0.030 1 202 25 25 ASN CB C 38.265 0.300 1 203 25 25 ASN HB2 H 2.418 0.030 2 204 25 25 ASN HB3 H 2.204 0.030 2 205 25 25 ASN ND2 N 112.656 0.300 1 206 25 25 ASN HD21 H 6.767 0.030 2 207 25 25 ASN HD22 H 7.357 0.030 2 208 26 26 SER CA C 60.828 0.300 1 209 26 26 SER HA H 4.010 0.030 1 210 26 26 SER CB C 61.674 0.300 1 211 26 26 SER HB2 H 3.821 0.030 1 212 26 26 SER HB3 H 3.821 0.030 1 213 26 26 SER C C 177.106 0.300 1 214 27 27 HIS N N 121.567 0.300 1 215 27 27 HIS H H 6.745 0.030 1 216 27 27 HIS CA C 57.025 0.300 1 217 27 27 HIS HA H 4.387 0.030 1 218 27 27 HIS CB C 31.749 0.300 1 219 27 27 HIS HB2 H 3.241 0.030 1 220 27 27 HIS HB3 H 3.241 0.030 1 221 27 27 HIS CD2 C 116.772 0.300 1 222 27 27 HIS HD2 H 6.916 0.030 1 223 27 27 HIS CE1 C 139.194 0.300 1 224 27 27 HIS HE1 H 7.723 0.030 1 225 27 27 HIS C C 178.165 0.300 1 226 28 28 LEU N N 122.201 0.300 1 227 28 28 LEU H H 6.890 0.030 1 228 28 28 LEU CA C 57.568 0.300 1 229 28 28 LEU HA H 3.133 0.030 1 230 28 28 LEU CB C 40.421 0.300 1 231 28 28 LEU HB2 H 1.981 0.030 2 232 28 28 LEU HB3 H 1.174 0.030 2 233 28 28 LEU CG C 27.566 0.300 1 234 28 28 LEU HG H 1.495 0.030 1 235 28 28 LEU CD1 C 26.667 0.300 2 236 28 28 LEU HD1 H 1.022 0.030 1 237 28 28 LEU CD2 C 22.511 0.300 2 238 28 28 LEU HD2 H 0.969 0.030 1 239 28 28 LEU C C 177.398 0.300 1 240 29 29 ALA N N 120.974 0.300 1 241 29 29 ALA H H 8.291 0.030 1 242 29 29 ALA CA C 55.296 0.300 1 243 29 29 ALA HA H 3.906 0.030 1 244 29 29 ALA CB C 17.744 0.300 1 245 29 29 ALA HB H 1.354 0.030 1 246 29 29 ALA C C 180.489 0.300 1 247 30 30 ARG N N 116.427 0.300 1 248 30 30 ARG H H 7.431 0.030 1 249 30 30 ARG CA C 58.472 0.300 1 250 30 30 ARG HA H 4.022 0.030 1 251 30 30 ARG CB C 30.232 0.300 1 252 30 30 ARG HB2 H 1.837 0.030 1 253 30 30 ARG HB3 H 1.837 0.030 1 254 30 30 ARG CG C 27.177 0.300 1 255 30 30 ARG HG2 H 1.617 0.030 2 256 30 30 ARG HG3 H 1.709 0.030 2 257 30 30 ARG CD C 43.360 0.300 1 258 30 30 ARG HD2 H 3.163 0.030 1 259 30 30 ARG HD3 H 3.163 0.030 1 260 30 30 ARG C C 178.403 0.300 1 261 31 31 HIS N N 119.659 0.300 1 262 31 31 HIS H H 7.576 0.030 1 263 31 31 HIS CA C 58.796 0.300 1 264 31 31 HIS HA H 4.203 0.030 1 265 31 31 HIS CB C 28.745 0.300 1 266 31 31 HIS HB2 H 3.146 0.030 2 267 31 31 HIS HB3 H 2.874 0.030 2 268 31 31 HIS CD2 C 127.303 0.300 1 269 31 31 HIS HD2 H 6.946 0.030 1 270 31 31 HIS CE1 C 139.626 0.300 1 271 31 31 HIS HE1 H 8.048 0.030 1 272 31 31 HIS C C 175.860 0.300 1 273 32 32 ARG N N 128.186 0.300 1 274 32 32 ARG H H 8.021 0.030 1 275 32 32 ARG CA C 59.996 0.300 1 276 32 32 ARG HA H 3.735 0.030 1 277 32 32 ARG CB C 30.005 0.300 1 278 32 32 ARG HB2 H 1.945 0.030 1 279 32 32 ARG HB3 H 1.945 0.030 1 280 32 32 ARG CG C 28.283 0.300 1 281 32 32 ARG HG2 H 1.999 0.030 1 282 32 32 ARG HG3 H 1.999 0.030 1 283 32 32 ARG CD C 43.586 0.300 1 284 32 32 ARG HD2 H 3.329 0.030 2 285 32 32 ARG HD3 H 3.294 0.030 2 286 32 32 ARG C C 178.010 0.300 1 287 33 33 GLY N N 118.610 0.300 1 288 33 33 GLY H H 7.577 0.030 1 289 33 33 GLY CA C 46.501 0.300 1 290 33 33 GLY HA2 H 3.856 0.030 2 291 33 33 GLY HA3 H 3.976 0.030 2 292 33 33 GLY C C 175.874 0.300 1 293 34 34 ILE N N 118.491 0.300 1 294 34 34 ILE H H 7.804 0.030 1 295 34 34 ILE CA C 62.728 0.300 1 296 34 34 ILE HA H 4.012 0.030 1 297 34 34 ILE CB C 37.640 0.300 1 298 34 34 ILE HB H 1.626 0.030 1 299 34 34 ILE CG1 C 26.827 0.300 1 300 34 34 ILE HG12 H 0.914 0.030 2 301 34 34 ILE HG13 H 0.736 0.030 2 302 34 34 ILE CG2 C 16.494 0.300 1 303 34 34 ILE HG2 H 0.477 0.030 1 304 34 34 ILE CD1 C 14.318 0.300 1 305 34 34 ILE HD1 H 0.677 0.030 1 306 34 34 ILE C C 177.422 0.300 1 307 35 35 HIS N N 117.828 0.300 1 308 35 35 HIS H H 7.323 0.030 1 309 35 35 HIS CA C 55.311 0.300 1 310 35 35 HIS HA H 4.861 0.030 1 311 35 35 HIS CB C 28.630 0.300 1 312 35 35 HIS HB2 H 3.334 0.030 2 313 35 35 HIS HB3 H 3.174 0.030 2 314 35 35 HIS CD2 C 127.797 0.300 1 315 35 35 HIS HD2 H 6.732 0.030 1 316 35 35 HIS CE1 C 140.066 0.300 1 317 35 35 HIS HE1 H 8.036 0.030 1 318 35 35 HIS C C 175.768 0.300 1 319 36 36 THR N N 112.063 0.300 1 320 36 36 THR H H 7.784 0.030 1 321 36 36 THR CA C 62.436 0.300 1 322 36 36 THR HA H 4.330 0.030 1 323 36 36 THR CB C 69.703 0.300 1 324 36 36 THR HB H 4.312 0.030 1 325 36 36 THR CG2 C 21.537 0.300 1 326 36 36 THR HG2 H 1.205 0.030 1 327 36 36 THR C C 175.321 0.300 1 328 37 37 GLY N N 111.105 0.300 1 329 37 37 GLY H H 8.435 0.030 1 330 37 37 GLY CA C 45.313 0.300 1 331 37 37 GLY HA2 H 3.969 0.030 1 332 37 37 GLY HA3 H 3.969 0.030 1 333 37 37 GLY C C 174.049 0.300 1 334 38 38 GLU N N 120.555 0.300 1 335 38 38 GLU H H 8.211 0.030 1 336 38 38 GLU CA C 56.448 0.300 1 337 38 38 GLU HA H 4.222 0.030 1 338 38 38 GLU CB C 36.225 0.300 1 339 38 38 GLU HB2 H 1.909 0.030 2 340 38 38 GLU HB3 H 1.862 0.030 2 341 38 38 GLU CG C 36.231 0.300 1 342 38 38 GLU HG2 H 2.236 0.030 2 343 38 38 GLU HG3 H 2.190 0.030 2 344 38 38 GLU C C 176.258 0.300 1 345 39 39 LYS N N 123.818 0.300 1 346 39 39 LYS H H 8.392 0.030 1 347 39 39 LYS CA C 54.059 0.300 1 348 39 39 LYS HA H 4.580 0.030 1 349 39 39 LYS CB C 32.451 0.300 1 350 39 39 LYS HB2 H 1.783 0.030 2 351 39 39 LYS HB3 H 1.696 0.030 2 352 39 39 LYS CG C 24.457 0.300 1 353 39 39 LYS HG2 H 1.437 0.030 1 354 39 39 LYS HG3 H 1.437 0.030 1 355 39 39 LYS CD C 29.114 0.300 1 356 39 39 LYS HD2 H 1.657 0.030 1 357 39 39 LYS HD3 H 1.657 0.030 1 358 39 39 LYS CE C 42.166 0.300 1 359 39 39 LYS HE2 H 2.969 0.030 1 360 39 39 LYS HE3 H 2.969 0.030 1 361 39 39 LYS C C 174.049 0.300 1 362 40 40 PRO CA C 63.172 0.300 1 363 40 40 PRO HA H 4.444 0.030 1 364 40 40 PRO CB C 32.143 0.300 1 365 40 40 PRO HB2 H 2.288 0.030 2 366 40 40 PRO HB3 H 1.905 0.030 2 367 40 40 PRO CG C 27.361 0.300 1 368 40 40 PRO HG2 H 1.991 0.030 1 369 40 40 PRO HG3 H 1.991 0.030 1 370 40 40 PRO CD C 50.649 0.300 1 371 40 40 PRO HD2 H 3.616 0.030 2 372 40 40 PRO HD3 H 3.795 0.030 2 373 40 40 PRO C C 177.021 0.300 1 374 41 41 SER N N 116.548 0.300 1 375 41 41 SER H H 8.473 0.030 1 376 41 41 SER CA C 58.308 0.300 1 377 41 41 SER HA H 4.455 0.030 1 378 41 41 SER CB C 63.988 0.300 1 379 41 41 SER HB2 H 3.872 0.030 1 380 41 41 SER HB3 H 3.872 0.030 1 381 41 41 SER C C 177.006 0.300 1 382 42 42 GLY CA C 44.654 0.300 1 383 42 42 GLY HA2 H 4.086 0.030 2 384 42 42 GLY HA3 H 4.125 0.030 2 385 43 43 PRO CA C 63.217 0.300 1 386 43 43 PRO HA H 4.445 0.030 1 387 43 43 PRO CB C 32.196 0.300 1 388 43 43 PRO HB2 H 2.257 0.030 2 389 43 43 PRO HB3 H 1.951 0.030 2 390 43 43 PRO CG C 27.139 0.300 1 391 43 43 PRO HG2 H 1.987 0.030 1 392 43 43 PRO HG3 H 1.987 0.030 1 393 43 43 PRO CD C 49.761 0.300 1 394 43 43 PRO HD2 H 3.600 0.030 1 395 43 43 PRO HD3 H 3.600 0.030 1 396 45 45 SER CA C 58.418 0.300 1 397 45 45 SER HA H 4.478 0.030 1 398 45 45 SER CB C 63.838 0.300 1 399 45 45 SER HB2 H 3.882 0.030 2 400 45 45 SER C C 173.908 0.300 1 401 46 46 GLY N N 116.836 0.300 1 402 46 46 GLY H H 8.029 0.030 1 403 46 46 GLY CA C 46.180 0.300 1 404 46 46 GLY HA2 H 3.718 0.030 2 405 46 46 GLY HA3 H 3.770 0.030 2 406 46 46 GLY C C 179.000 0.300 1 stop_ save_