data_11168 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 732-764) of human Zinc finger protein 347 ; _BMRB_accession_number 11168 _BMRB_flat_file_name bmr11168.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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" 205 "13C chemical shifts" 145 "15N chemical shifts" 28 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 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 732-764) 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 ; GSSGSSGTGKKPYKCNECGK 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 LYS 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 10188 "zf-C2H2 domain" 80.43 46 97.30 100.00 2.51e-17 PDB 2YTI "Solution Structure Of The C2h2 Type Zinc Finger (Region 564- 596) Of Human Zinc Finger Protein 347" 80.43 46 97.30 100.00 2.51e-17 PDB 2YTN "Solution Structure Of The C2h2 Type Zinc Finger (Region 732- 764) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 4.50e-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 no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 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_name $entity_1 'cell free synthesis' . Escherichia coli . P070115-20 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; about 1.0mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 0.05mM {ZnCl2;} 1mM {IDA;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task '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_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ 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 8 8 THR HB H 4.231 0.030 1 2 8 8 THR HG2 H 1.147 0.030 1 3 8 8 THR CB C 69.797 0.300 1 4 8 8 THR CG2 C 21.373 0.300 1 5 10 10 LYS HA H 4.242 0.030 1 6 10 10 LYS HB2 H 1.728 0.030 2 7 10 10 LYS HB3 H 1.649 0.030 2 8 10 10 LYS HD2 H 1.611 0.030 1 9 10 10 LYS HD3 H 1.611 0.030 1 10 10 10 LYS HE2 H 2.943 0.030 1 11 10 10 LYS HE3 H 2.943 0.030 1 12 10 10 LYS HG2 H 1.374 0.030 2 13 10 10 LYS HG3 H 1.304 0.030 2 14 10 10 LYS C C 176.337 0.300 1 15 10 10 LYS CA C 56.076 0.300 1 16 10 10 LYS CB C 33.035 0.300 1 17 10 10 LYS CD C 29.017 0.300 1 18 10 10 LYS CE C 42.171 0.300 1 19 10 10 LYS CG C 24.587 0.300 1 20 11 11 LYS H H 8.251 0.030 1 21 11 11 LYS HA H 4.489 0.030 1 22 11 11 LYS HB2 H 1.582 0.030 1 23 11 11 LYS HB3 H 1.582 0.030 1 24 11 11 LYS HD2 H 1.598 0.030 1 25 11 11 LYS HD3 H 1.598 0.030 1 26 11 11 LYS HE2 H 2.878 0.030 1 27 11 11 LYS HE3 H 2.878 0.030 1 28 11 11 LYS HG2 H 1.300 0.030 2 29 11 11 LYS HG3 H 1.236 0.030 2 30 11 11 LYS C C 174.129 0.300 1 31 11 11 LYS CA C 53.869 0.300 1 32 11 11 LYS CB C 32.666 0.300 1 33 11 11 LYS CE C 41.961 0.300 1 34 11 11 LYS CG C 24.619 0.300 1 35 11 11 LYS N N 123.639 0.300 1 36 12 12 PRO HA H 4.283 0.030 1 37 12 12 PRO HB2 H 1.482 0.030 2 38 12 12 PRO HB3 H 2.028 0.030 2 39 12 12 PRO HD2 H 3.522 0.030 2 40 12 12 PRO HD3 H 3.620 0.030 2 41 12 12 PRO HG2 H 1.830 0.030 2 42 12 12 PRO HG3 H 1.699 0.030 2 43 12 12 PRO C C 176.357 0.300 1 44 12 12 PRO CA C 62.727 0.300 1 45 12 12 PRO CB C 32.351 0.300 1 46 12 12 PRO CD C 50.277 0.300 1 47 12 12 PRO CG C 26.783 0.300 1 48 13 13 TYR H H 8.119 0.030 1 49 13 13 TYR HA H 4.557 0.030 1 50 13 13 TYR HB2 H 2.862 0.030 1 51 13 13 TYR HB3 H 2.862 0.030 1 52 13 13 TYR HD1 H 6.919 0.030 1 53 13 13 TYR HD2 H 6.919 0.030 1 54 13 13 TYR HE1 H 6.772 0.030 1 55 13 13 TYR HE2 H 6.772 0.030 1 56 13 13 TYR C C 174.082 0.300 1 57 13 13 TYR CA C 57.268 0.300 1 58 13 13 TYR CB C 38.081 0.300 1 59 13 13 TYR CD1 C 133.052 0.300 1 60 13 13 TYR CD2 C 133.052 0.300 1 61 13 13 TYR CE1 C 118.240 0.300 1 62 13 13 TYR CE2 C 118.240 0.300 1 63 13 13 TYR N N 119.882 0.300 1 64 14 14 LYS H H 8.356 0.030 1 65 14 14 LYS HA H 5.073 0.030 1 66 14 14 LYS HB2 H 1.433 0.030 2 67 14 14 LYS HB3 H 1.672 0.030 2 68 14 14 LYS HD2 H 1.509 0.030 1 69 14 14 LYS HD3 H 1.509 0.030 1 70 14 14 LYS HE2 H 2.858 0.030 1 71 14 14 LYS HE3 H 2.858 0.030 1 72 14 14 LYS HG2 H 1.088 0.030 2 73 14 14 LYS HG3 H 0.994 0.030 2 74 14 14 LYS C C 175.110 0.300 1 75 14 14 LYS CA C 54.681 0.300 1 76 14 14 LYS CB C 36.188 0.300 1 77 14 14 LYS CD C 29.486 0.300 1 78 14 14 LYS CE C 41.962 0.300 1 79 14 14 LYS CG C 24.388 0.300 1 80 14 14 LYS N N 124.805 0.300 1 81 15 15 CYS H H 9.287 0.030 1 82 15 15 CYS HA H 4.492 0.030 1 83 15 15 CYS HB2 H 3.332 0.030 2 84 15 15 CYS HB3 H 2.798 0.030 2 85 15 15 CYS C C 176.818 0.300 1 86 15 15 CYS CA C 59.460 0.300 1 87 15 15 CYS CB C 29.612 0.300 1 88 15 15 CYS N N 127.934 0.300 1 89 16 16 ASN HA H 4.465 0.030 1 90 16 16 ASN HB2 H 2.824 0.030 1 91 16 16 ASN HB3 H 2.824 0.030 1 92 16 16 ASN HD21 H 7.671 0.030 2 93 16 16 ASN HD22 H 6.960 0.030 2 94 16 16 ASN C C 175.404 0.300 1 95 16 16 ASN CA C 55.576 0.300 1 96 16 16 ASN CB C 38.263 0.300 1 97 16 16 ASN ND2 N 113.586 0.300 1 98 17 17 GLU H H 8.684 0.030 1 99 17 17 GLU HA H 4.151 0.030 1 100 17 17 GLU HB2 H 1.258 0.030 1 101 17 17 GLU HB3 H 1.258 0.030 1 102 17 17 GLU HG2 H 1.878 0.030 2 103 17 17 GLU HG3 H 1.830 0.030 2 104 17 17 GLU C C 177.135 0.300 1 105 17 17 GLU CA C 58.728 0.300 1 106 17 17 GLU CB C 29.303 0.300 1 107 17 17 GLU CG C 36.237 0.300 1 108 17 17 GLU N N 120.757 0.300 1 109 18 18 CYS H H 7.896 0.030 1 110 18 18 CYS HA H 5.116 0.030 1 111 18 18 CYS HB2 H 2.830 0.030 2 112 18 18 CYS HB3 H 3.389 0.030 2 113 18 18 CYS C C 176.224 0.300 1 114 18 18 CYS CA C 58.245 0.300 1 115 18 18 CYS CB C 32.333 0.300 1 116 18 18 CYS N N 114.676 0.300 1 117 19 19 GLY H H 8.136 0.030 1 118 19 19 GLY HA2 H 3.679 0.030 2 119 19 19 GLY HA3 H 4.188 0.030 2 120 19 19 GLY C C 173.509 0.300 1 121 19 19 GLY CA C 46.185 0.300 1 122 19 19 GLY N N 113.560 0.300 1 123 20 20 LYS H H 7.878 0.030 1 124 20 20 LYS HA H 3.927 0.030 1 125 20 20 LYS HB2 H 1.135 0.030 2 126 20 20 LYS HB3 H 1.366 0.030 2 127 20 20 LYS HD2 H 1.455 0.030 2 128 20 20 LYS HD3 H 1.377 0.030 2 129 20 20 LYS HE2 H 2.921 0.030 2 130 20 20 LYS HE3 H 2.841 0.030 2 131 20 20 LYS HG2 H 0.957 0.030 2 132 20 20 LYS HG3 H 1.373 0.030 2 133 20 20 LYS C C 174.273 0.300 1 134 20 20 LYS CA C 58.269 0.300 1 135 20 20 LYS CB C 33.778 0.300 1 136 20 20 LYS CD C 29.336 0.300 1 137 20 20 LYS CE C 42.182 0.300 1 138 20 20 LYS CG C 26.323 0.300 1 139 20 20 LYS N N 122.684 0.300 1 140 21 21 VAL H H 7.615 0.030 1 141 21 21 VAL HA H 4.734 0.030 1 142 21 21 VAL HB H 1.793 0.030 1 143 21 21 VAL HG1 H 0.780 0.030 1 144 21 21 VAL HG2 H 0.773 0.030 1 145 21 21 VAL C C 175.225 0.300 1 146 21 21 VAL CA C 60.536 0.300 1 147 21 21 VAL CB C 33.927 0.300 1 148 21 21 VAL CG1 C 21.920 0.300 2 149 21 21 VAL CG2 C 20.406 0.300 2 150 21 21 VAL N N 117.649 0.300 1 151 22 22 PHE H H 8.723 0.030 1 152 22 22 PHE HA H 4.860 0.030 1 153 22 22 PHE HB2 H 2.689 0.030 2 154 22 22 PHE HB3 H 3.457 0.030 2 155 22 22 PHE HD1 H 7.226 0.030 1 156 22 22 PHE HD2 H 7.226 0.030 1 157 22 22 PHE HE1 H 6.797 0.030 1 158 22 22 PHE HE2 H 6.797 0.030 1 159 22 22 PHE HZ H 6.069 0.030 1 160 22 22 PHE C C 175.674 0.300 1 161 22 22 PHE CA C 56.893 0.300 1 162 22 22 PHE CB C 43.442 0.300 1 163 22 22 PHE CD1 C 132.404 0.300 1 164 22 22 PHE CD2 C 132.404 0.300 1 165 22 22 PHE CE1 C 130.649 0.300 1 166 22 22 PHE CE2 C 130.649 0.300 1 167 22 22 PHE CZ C 128.562 0.300 1 168 22 22 PHE N N 121.621 0.300 1 169 23 23 THR H H 9.513 0.030 1 170 23 23 THR HA H 4.488 0.030 1 171 23 23 THR HB H 4.429 0.030 1 172 23 23 THR HG2 H 1.297 0.030 1 173 23 23 THR C C 174.930 0.300 1 174 23 23 THR CA C 63.286 0.300 1 175 23 23 THR CB C 69.680 0.300 1 176 23 23 THR CG2 C 22.345 0.300 1 177 23 23 THR N N 111.594 0.300 1 178 24 24 GLN H H 7.077 0.030 1 179 24 24 GLN HA H 4.488 0.030 1 180 24 24 GLN HB2 H 0.923 0.030 2 181 24 24 GLN HB3 H 1.890 0.030 2 182 24 24 GLN HE21 H 6.796 0.030 2 183 24 24 GLN HE22 H 7.280 0.030 2 184 24 24 GLN HG2 H 2.070 0.030 2 185 24 24 GLN HG3 H 1.992 0.030 2 186 24 24 GLN C C 175.787 0.300 1 187 24 24 GLN CA C 53.922 0.300 1 188 24 24 GLN CB C 31.785 0.300 1 189 24 24 GLN CG C 33.175 0.300 1 190 24 24 GLN N N 115.515 0.300 1 191 24 24 GLN NE2 N 111.861 0.300 1 192 25 25 ASN HA H 3.546 0.030 1 193 25 25 ASN HB2 H 2.390 0.030 2 194 25 25 ASN HB3 H 2.153 0.030 2 195 25 25 ASN HD21 H 7.345 0.030 2 196 25 25 ASN HD22 H 6.748 0.030 2 197 25 25 ASN CA C 56.172 0.300 1 198 25 25 ASN CB C 38.273 0.300 1 199 25 25 ASN ND2 N 112.747 0.300 1 200 26 26 SER HA H 3.981 0.030 1 201 26 26 SER HB2 H 3.792 0.030 1 202 26 26 SER HB3 H 3.792 0.030 1 203 26 26 SER C C 177.082 0.300 1 204 26 26 SER CA C 60.839 0.300 1 205 26 26 SER CB C 61.669 0.300 1 206 27 27 HIS H H 6.711 0.030 1 207 27 27 HIS HA H 4.358 0.030 1 208 27 27 HIS HB2 H 3.247 0.030 2 209 27 27 HIS HB3 H 3.208 0.030 2 210 27 27 HIS HD2 H 6.887 0.030 1 211 27 27 HIS HE1 H 7.698 0.030 1 212 27 27 HIS C C 178.133 0.300 1 213 27 27 HIS CA C 57.001 0.300 1 214 27 27 HIS CB C 31.749 0.300 1 215 27 27 HIS CD2 C 116.641 0.300 1 216 27 27 HIS CE1 C 139.116 0.300 1 217 27 27 HIS N N 121.571 0.300 1 218 28 28 LEU H H 6.852 0.030 1 219 28 28 LEU HA H 3.092 0.030 1 220 28 28 LEU HB2 H 1.132 0.030 2 221 28 28 LEU HB3 H 1.950 0.030 2 222 28 28 LEU HD1 H 0.937 0.030 1 223 28 28 LEU HD2 H 0.989 0.030 1 224 28 28 LEU HG H 1.462 0.030 1 225 28 28 LEU C C 177.326 0.300 1 226 28 28 LEU CA C 57.540 0.300 1 227 28 28 LEU CB C 40.398 0.300 1 228 28 28 LEU CD1 C 22.479 0.300 2 229 28 28 LEU CD2 C 26.648 0.300 2 230 28 28 LEU CG C 27.487 0.300 1 231 28 28 LEU N N 122.184 0.300 1 232 29 29 ALA H H 8.266 0.030 1 233 29 29 ALA HA H 3.876 0.030 1 234 29 29 ALA HB H 1.320 0.030 1 235 29 29 ALA C C 180.457 0.300 1 236 29 29 ALA CA C 55.308 0.300 1 237 29 29 ALA CB C 17.696 0.300 1 238 29 29 ALA N N 120.954 0.300 1 239 30 30 ARG H H 7.412 0.030 1 240 30 30 ARG HA H 3.993 0.030 1 241 30 30 ARG HB2 H 1.805 0.030 1 242 30 30 ARG HB3 H 1.805 0.030 1 243 30 30 ARG HD2 H 3.134 0.030 1 244 30 30 ARG HD3 H 3.134 0.030 1 245 30 30 ARG HG2 H 1.680 0.030 2 246 30 30 ARG HG3 H 1.592 0.030 2 247 30 30 ARG C C 178.375 0.300 1 248 30 30 ARG CA C 58.457 0.300 1 249 30 30 ARG CB C 30.226 0.300 1 250 30 30 ARG CD C 43.324 0.300 1 251 30 30 ARG CG C 27.150 0.300 1 252 30 30 ARG N N 116.417 0.300 1 253 31 31 HIS H H 7.549 0.030 1 254 31 31 HIS HA H 4.169 0.030 1 255 31 31 HIS HB2 H 3.115 0.030 2 256 31 31 HIS HB3 H 2.845 0.030 2 257 31 31 HIS HD2 H 6.915 0.030 1 258 31 31 HIS HE1 H 8.024 0.030 1 259 31 31 HIS C C 175.805 0.300 1 260 31 31 HIS CA C 58.777 0.300 1 261 31 31 HIS CB C 28.687 0.300 1 262 31 31 HIS CD2 C 127.341 0.300 1 263 31 31 HIS CE1 C 139.585 0.300 1 264 31 31 HIS N N 119.647 0.300 1 265 32 32 ARG H H 7.994 0.030 1 266 32 32 ARG HA H 3.707 0.030 1 267 32 32 ARG HB2 H 1.930 0.030 2 268 32 32 ARG HB3 H 1.889 0.030 2 269 32 32 ARG HD2 H 3.297 0.030 2 270 32 32 ARG HD3 H 3.260 0.030 2 271 32 32 ARG HG2 H 1.968 0.030 1 272 32 32 ARG HG3 H 1.968 0.030 1 273 32 32 ARG C C 177.973 0.300 1 274 32 32 ARG CA C 59.950 0.300 1 275 32 32 ARG CB C 29.977 0.300 1 276 32 32 ARG CD C 43.580 0.300 1 277 32 32 ARG CG C 28.186 0.300 1 278 32 32 ARG N N 115.124 0.300 1 279 33 33 GLY H H 7.558 0.030 1 280 33 33 GLY HA2 H 3.946 0.030 2 281 33 33 GLY HA3 H 3.823 0.030 2 282 33 33 GLY C C 175.828 0.300 1 283 33 33 GLY CA C 46.472 0.300 1 284 33 33 GLY N N 105.584 0.300 1 285 34 34 ILE H H 7.779 0.030 1 286 34 34 ILE HA H 3.981 0.030 1 287 34 34 ILE HB H 1.595 0.030 1 288 34 34 ILE HD1 H 0.645 0.030 1 289 34 34 ILE HG12 H 0.883 0.030 2 290 34 34 ILE HG13 H 0.701 0.030 2 291 34 34 ILE HG2 H 0.447 0.030 1 292 34 34 ILE C C 177.386 0.300 1 293 34 34 ILE CA C 62.674 0.300 1 294 34 34 ILE CB C 37.597 0.300 1 295 34 34 ILE CD1 C 14.256 0.300 1 296 34 34 ILE CG1 C 26.791 0.300 1 297 34 34 ILE CG2 C 16.481 0.300 1 298 34 34 ILE N N 118.486 0.300 1 299 35 35 HIS H H 7.295 0.030 1 300 35 35 HIS HA H 4.827 0.030 1 301 35 35 HIS HB2 H 3.302 0.030 2 302 35 35 HIS HB3 H 3.140 0.030 2 303 35 35 HIS HD2 H 6.704 0.030 1 304 35 35 HIS HE1 H 8.012 0.030 1 305 35 35 HIS C C 175.734 0.300 1 306 35 35 HIS CA C 55.211 0.300 1 307 35 35 HIS CB C 28.608 0.300 1 308 35 35 HIS CD2 C 127.768 0.300 1 309 35 35 HIS CE1 C 139.994 0.300 1 310 35 35 HIS N N 117.812 0.300 1 311 36 36 THR H H 7.770 0.030 1 312 36 36 THR HA H 4.304 0.030 1 313 36 36 THR HB H 4.284 0.030 1 314 36 36 THR HG2 H 1.174 0.030 1 315 36 36 THR C C 175.372 0.300 1 316 36 36 THR CA C 62.391 0.300 1 317 36 36 THR CB C 69.702 0.300 1 318 36 36 THR CG2 C 21.530 0.300 1 319 36 36 THR N N 111.980 0.300 1 320 37 37 GLY H H 8.232 0.030 1 321 37 37 GLY HA2 H 3.973 0.030 2 322 37 37 GLY HA3 H 3.884 0.030 2 323 37 37 GLY C C 174.083 0.300 1 324 37 37 GLY CA C 45.271 0.300 1 325 37 37 GLY N N 110.916 0.300 1 326 38 38 GLU H H 8.054 0.030 1 327 38 38 GLU HA H 4.191 0.030 1 328 38 38 GLU HB2 H 1.932 0.030 2 329 38 38 GLU HB3 H 1.844 0.030 2 330 38 38 GLU HG2 H 2.207 0.030 2 331 38 38 GLU HG3 H 2.153 0.030 2 332 38 38 GLU C C 176.239 0.300 1 333 38 38 GLU CA C 56.379 0.300 1 334 38 38 GLU CB C 30.434 0.300 1 335 38 38 GLU CG C 36.176 0.300 1 336 38 38 GLU N N 120.579 0.300 1 337 39 39 LYS H H 8.388 0.030 1 338 39 39 LYS HA H 4.547 0.030 1 339 39 39 LYS HB2 H 1.665 0.030 2 340 39 39 LYS HB3 H 1.753 0.030 2 341 39 39 LYS HD2 H 1.621 0.030 1 342 39 39 LYS HD3 H 1.621 0.030 1 343 39 39 LYS HE2 H 2.943 0.030 1 344 39 39 LYS HE3 H 2.943 0.030 1 345 39 39 LYS HG2 H 1.405 0.030 1 346 39 39 LYS HG3 H 1.405 0.030 1 347 39 39 LYS C C 174.466 0.300 1 348 39 39 LYS CA C 54.062 0.300 1 349 39 39 LYS CB C 32.416 0.300 1 350 39 39 LYS CD C 29.213 0.300 1 351 39 39 LYS CE C 42.191 0.300 1 352 39 39 LYS CG C 24.423 0.300 1 353 39 39 LYS N N 123.877 0.300 1 354 40 40 PRO HA H 4.412 0.030 1 355 40 40 PRO HB2 H 1.881 0.030 2 356 40 40 PRO HB3 H 2.244 0.030 2 357 40 40 PRO HD2 H 3.768 0.030 2 358 40 40 PRO HD3 H 3.585 0.030 2 359 40 40 PRO HG2 H 1.954 0.030 1 360 40 40 PRO HG3 H 1.954 0.030 1 361 40 40 PRO CA C 63.167 0.300 1 362 40 40 PRO CB C 32.157 0.300 1 363 40 40 PRO CD C 50.641 0.300 1 364 40 40 PRO CG C 27.180 0.300 1 365 42 42 GLY HA2 H 4.097 0.030 2 366 42 42 GLY HA3 H 4.051 0.030 2 367 42 42 GLY CA C 44.661 0.300 1 368 43 43 PRO HA H 4.416 0.030 1 369 43 43 PRO HB2 H 2.242 0.030 2 370 43 43 PRO HB3 H 1.882 0.030 2 371 43 43 PRO HD2 H 3.566 0.030 1 372 43 43 PRO HD3 H 3.566 0.030 1 373 43 43 PRO HG2 H 1.985 0.030 2 374 43 43 PRO HG3 H 1.930 0.030 2 375 43 43 PRO CA C 63.092 0.300 1 376 43 43 PRO CB C 32.148 0.300 1 377 43 43 PRO CD C 49.738 0.300 1 378 43 43 PRO CG C 27.389 0.300 1 stop_ save_