data_10304 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 544-576) of human Zinc finger protein 95 homolog ; _BMRB_accession_number 10304 _BMRB_flat_file_name bmr10304.str _Entry_type new _Submission_date 2009-03-10 _Accession_date 2009-03-10 _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" 221 "13C chemical shifts" 152 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 original author . stop_ 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 544-576) of human Zinc finger protein 95 homolog ; _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 95 homolog' _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 ; GSSGSSGTGERPHKCNECGK SFIQSAHLIQHQRIHTGEKP 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 ARG 12 PRO 13 HIS 14 LYS 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 ILE 24 GLN 25 SER 26 ALA 27 HIS 28 LEU 29 ILE 30 GLN 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 2015-06-23 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 2EMM "Solution Structure Of The C2h2 Type Zinc Finger (Region 544- 576) Of Human Zinc Finger Protein 95 Homolog" 100.00 46 100.00 100.00 1.28e-22 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 Nov 18 21:04:59 2008 ; 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_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination 'zf-C2H2 domain' 15 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 18 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 31 HIS NE2 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 35 HIS NE2 'ZINC ION' . . ZN stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'zf-C2H2 domain' 15 CYS HG 'zf-C2H2 domain' 18 CYS HG 'zf-C2H2 domain' 31 HIS HE2 'zf-C2H2 domain' 35 HIS HE2 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell-free synthesis' . . . . plasmid P061225-38 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 topspin _Version 1.3 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 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 900 _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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 HA H 4.370 0.030 1 2 8 8 THR HB H 4.299 0.030 1 3 8 8 THR HG2 H 1.200 0.030 1 4 8 8 THR CA C 61.945 0.300 1 5 8 8 THR CB C 69.833 0.300 1 6 8 8 THR CG2 C 21.526 0.300 1 7 9 9 GLY H H 8.444 0.030 1 8 9 9 GLY HA2 H 3.969 0.030 1 9 9 9 GLY HA3 H 3.969 0.030 1 10 9 9 GLY C C 173.951 0.300 1 11 9 9 GLY CA C 45.271 0.300 1 12 9 9 GLY N N 110.998 0.300 1 13 10 10 GLU H H 8.202 0.030 1 14 10 10 GLU HA H 4.213 0.030 1 15 10 10 GLU HB2 H 1.908 0.030 2 16 10 10 GLU HB3 H 1.993 0.030 2 17 10 10 GLU HG2 H 2.217 0.030 1 18 10 10 GLU HG3 H 2.217 0.030 1 19 10 10 GLU C C 176.209 0.300 1 20 10 10 GLU CA C 56.761 0.300 1 21 10 10 GLU CB C 30.488 0.300 1 22 10 10 GLU CG C 36.312 0.300 1 23 10 10 GLU N N 120.432 0.300 1 24 11 11 ARG H H 8.310 0.030 1 25 11 11 ARG HA H 4.568 0.030 1 26 11 11 ARG HB2 H 1.616 0.030 2 27 11 11 ARG HB3 H 1.521 0.030 2 28 11 11 ARG HD2 H 3.068 0.030 1 29 11 11 ARG HD3 H 3.068 0.030 1 30 11 11 ARG HG2 H 1.553 0.030 2 31 11 11 ARG HG3 H 1.440 0.030 2 32 11 11 ARG C C 174.073 0.300 1 33 11 11 ARG CA C 53.643 0.300 1 34 11 11 ARG CB C 30.366 0.300 1 35 11 11 ARG CD C 43.542 0.300 1 36 11 11 ARG CG C 27.224 0.300 1 37 11 11 ARG N N 121.718 0.300 1 38 12 12 PRO HA H 4.321 0.030 1 39 12 12 PRO HB2 H 2.093 0.030 2 40 12 12 PRO HB3 H 1.470 0.030 2 41 12 12 PRO HD2 H 3.683 0.030 2 42 12 12 PRO HG2 H 1.692 0.030 2 43 12 12 PRO HG3 H 1.905 0.030 2 44 12 12 PRO C C 176.234 0.300 1 45 12 12 PRO CA C 63.697 0.300 1 46 12 12 PRO CB C 32.438 0.300 1 47 12 12 PRO CD C 50.401 0.300 1 48 12 12 PRO CG C 26.755 0.300 1 49 13 13 HIS H H 7.884 0.030 1 50 13 13 HIS HA H 4.669 0.030 1 51 13 13 HIS HB2 H 2.910 0.030 2 52 13 13 HIS HB3 H 3.046 0.030 2 53 13 13 HIS HD2 H 6.809 0.030 1 54 13 13 HIS C C 174.157 0.300 1 55 13 13 HIS CA C 55.372 0.300 1 56 13 13 HIS CB C 30.745 0.300 1 57 13 13 HIS CD2 C 120.044 0.300 1 58 13 13 HIS N N 119.161 0.300 1 59 14 14 LYS H H 8.637 0.030 1 60 14 14 LYS HA H 4.826 0.030 1 61 14 14 LYS HB2 H 1.598 0.030 2 62 14 14 LYS HB3 H 1.696 0.030 2 63 14 14 LYS HD2 H 1.595 0.030 1 64 14 14 LYS HD3 H 1.595 0.030 1 65 14 14 LYS HE2 H 2.946 0.030 1 66 14 14 LYS HE3 H 2.946 0.030 1 67 14 14 LYS HG2 H 1.145 0.030 2 68 14 14 LYS HG3 H 1.179 0.030 2 69 14 14 LYS C C 174.911 0.300 1 70 14 14 LYS CA C 55.385 0.300 1 71 14 14 LYS CB C 35.414 0.300 1 72 14 14 LYS CD C 29.436 0.300 1 73 14 14 LYS CE C 42.108 0.300 1 74 14 14 LYS CG C 24.743 0.300 1 75 14 14 LYS N N 126.119 0.300 1 76 15 15 CYS H H 9.223 0.030 1 77 15 15 CYS HA H 4.557 0.030 1 78 15 15 CYS HB2 H 3.439 0.030 2 79 15 15 CYS HB3 H 2.860 0.030 2 80 15 15 CYS C C 176.816 0.300 1 81 15 15 CYS CA C 59.372 0.300 1 82 15 15 CYS CB C 29.537 0.300 1 83 15 15 CYS N N 126.867 0.300 1 84 16 16 ASN H H 9.398 0.030 1 85 16 16 ASN HA H 4.548 0.030 1 86 16 16 ASN HB2 H 2.891 0.030 1 87 16 16 ASN HB3 H 2.891 0.030 1 88 16 16 ASN HD21 H 7.680 0.030 2 89 16 16 ASN HD22 H 6.976 0.030 2 90 16 16 ASN C C 175.481 0.300 1 91 16 16 ASN CA C 55.537 0.300 1 92 16 16 ASN CB C 38.423 0.300 1 93 16 16 ASN N N 130.024 0.300 1 94 16 16 ASN ND2 N 113.382 0.300 1 95 17 17 GLU H H 8.683 0.030 1 96 17 17 GLU HA H 4.226 0.030 1 97 17 17 GLU HB2 H 1.368 0.030 1 98 17 17 GLU HB3 H 1.368 0.030 1 99 17 17 GLU HG2 H 1.788 0.030 2 100 17 17 GLU HG3 H 1.903 0.030 2 101 17 17 GLU C C 177.084 0.300 1 102 17 17 GLU CA C 58.463 0.300 1 103 17 17 GLU CB C 29.533 0.300 1 104 17 17 GLU CG C 35.711 0.300 1 105 17 17 GLU N N 120.833 0.300 1 106 18 18 CYS H H 7.915 0.030 1 107 18 18 CYS HA H 5.186 0.030 1 108 18 18 CYS HB2 H 3.451 0.030 2 109 18 18 CYS HB3 H 2.894 0.030 2 110 18 18 CYS C C 176.234 0.300 1 111 18 18 CYS CA C 58.335 0.300 1 112 18 18 CYS CB C 32.422 0.300 1 113 18 18 CYS N N 114.561 0.300 1 114 19 19 GLY H H 8.177 0.030 1 115 19 19 GLY HA2 H 4.273 0.030 2 116 19 19 GLY HA3 H 3.790 0.030 2 117 19 19 GLY C C 173.927 0.300 1 118 19 19 GLY CA C 46.290 0.300 1 119 19 19 GLY N N 113.141 0.300 1 120 20 20 LYS H H 7.972 0.030 1 121 20 20 LYS HA H 4.060 0.030 1 122 20 20 LYS HB2 H 1.273 0.030 2 123 20 20 LYS HB3 H 1.385 0.030 2 124 20 20 LYS HD2 H 1.532 0.030 2 125 20 20 LYS HD3 H 1.202 0.030 2 126 20 20 LYS HE2 H 3.021 0.030 2 127 20 20 LYS HE3 H 2.969 0.030 2 128 20 20 LYS HG2 H 1.201 0.030 2 129 20 20 LYS HG3 H 1.529 0.030 2 130 20 20 LYS C C 174.303 0.300 1 131 20 20 LYS CA C 58.054 0.300 1 132 20 20 LYS CB C 33.822 0.300 1 133 20 20 LYS CD C 29.224 0.300 1 134 20 20 LYS CE C 42.243 0.300 1 135 20 20 LYS CG C 26.453 0.300 1 136 20 20 LYS N N 122.940 0.300 1 137 21 21 SER H H 7.940 0.030 1 138 21 21 SER HA H 5.286 0.030 1 139 21 21 SER HB2 H 3.609 0.030 1 140 21 21 SER HB3 H 3.609 0.030 1 141 21 21 SER C C 173.454 0.300 1 142 21 21 SER CA C 56.899 0.300 1 143 21 21 SER CB C 66.182 0.300 1 144 21 21 SER N N 114.814 0.300 1 145 22 22 PHE H H 8.760 0.030 1 146 22 22 PHE HA H 4.818 0.030 1 147 22 22 PHE HB2 H 2.674 0.030 2 148 22 22 PHE HB3 H 3.542 0.030 2 149 22 22 PHE HD1 H 7.332 0.030 1 150 22 22 PHE HD2 H 7.332 0.030 1 151 22 22 PHE HE1 H 6.858 0.030 1 152 22 22 PHE HE2 H 6.858 0.030 1 153 22 22 PHE HZ H 6.253 0.030 1 154 22 22 PHE C C 175.262 0.300 1 155 22 22 PHE CA C 57.640 0.300 1 156 22 22 PHE CB C 43.860 0.300 1 157 22 22 PHE CD1 C 132.446 0.300 1 158 22 22 PHE CD2 C 132.446 0.300 1 159 22 22 PHE CE1 C 130.745 0.300 1 160 22 22 PHE CE2 C 130.745 0.300 1 161 22 22 PHE CZ C 128.875 0.300 1 162 22 22 PHE N N 118.826 0.300 1 163 23 23 ILE H H 9.281 0.030 1 164 23 23 ILE HA H 4.221 0.030 1 165 23 23 ILE HB H 2.056 0.030 1 166 23 23 ILE HD1 H 0.995 0.030 1 167 23 23 ILE HG12 H 1.395 0.030 2 168 23 23 ILE HG13 H 1.677 0.030 2 169 23 23 ILE HG2 H 1.091 0.030 1 170 23 23 ILE C C 176.209 0.300 1 171 23 23 ILE CA C 63.789 0.300 1 172 23 23 ILE CB C 38.970 0.300 1 173 23 23 ILE CD1 C 13.345 0.300 1 174 23 23 ILE CG1 C 28.519 0.300 1 175 23 23 ILE CG2 C 17.931 0.300 1 176 23 23 ILE N N 120.566 0.300 1 177 24 24 GLN H H 7.484 0.030 1 178 24 24 GLN HA H 4.666 0.030 1 179 24 24 GLN HB2 H 1.966 0.030 2 180 24 24 GLN HB3 H 0.922 0.030 2 181 24 24 GLN HE21 H 7.400 0.030 2 182 24 24 GLN HE22 H 6.858 0.030 2 183 24 24 GLN HG2 H 2.154 0.030 2 184 24 24 GLN HG3 H 2.227 0.030 2 185 24 24 GLN C C 176.841 0.300 1 186 24 24 GLN CA C 53.778 0.300 1 187 24 24 GLN CB C 30.338 0.300 1 188 24 24 GLN CG C 33.572 0.300 1 189 24 24 GLN N N 114.821 0.300 1 190 24 24 GLN NE2 N 111.403 0.300 1 191 25 25 SER H H 7.819 0.030 1 192 25 25 SER HA H 3.255 0.030 1 193 25 25 SER HB2 H 3.367 0.030 2 194 25 25 SER HB3 H 3.605 0.030 2 195 25 25 SER CA C 61.479 0.300 1 196 25 25 SER CB C 61.741 0.300 1 197 26 26 ALA H H 8.646 0.030 1 198 26 26 ALA HA H 3.976 0.030 1 199 26 26 ALA HB H 1.331 0.030 1 200 26 26 ALA C C 180.045 0.300 1 201 26 26 ALA CA C 55.171 0.300 1 202 26 26 ALA CB C 18.344 0.300 1 203 26 26 ALA N N 121.333 0.300 1 204 27 27 HIS H H 6.858 0.030 1 205 27 27 HIS HA H 4.396 0.030 1 206 27 27 HIS HB2 H 3.407 0.030 2 207 27 27 HIS HB3 H 3.201 0.030 2 208 27 27 HIS HD2 H 6.856 0.030 1 209 27 27 HIS HE1 H 7.825 0.030 1 210 27 27 HIS C C 178.297 0.300 1 211 27 27 HIS CA C 56.558 0.300 1 212 27 27 HIS CB C 31.791 0.300 1 213 27 27 HIS CD2 C 116.196 0.300 1 214 27 27 HIS CE1 C 139.113 0.300 1 215 27 27 HIS N N 114.920 0.300 1 216 28 28 LEU H H 7.013 0.030 1 217 28 28 LEU HA H 3.315 0.030 1 218 28 28 LEU HB2 H 2.097 0.030 2 219 28 28 LEU HB3 H 1.275 0.030 2 220 28 28 LEU HD1 H 0.991 0.030 1 221 28 28 LEU HD2 H 1.040 0.030 1 222 28 28 LEU HG H 1.519 0.030 1 223 28 28 LEU C C 177.363 0.300 1 224 28 28 LEU CA C 57.860 0.300 1 225 28 28 LEU CB C 40.301 0.300 1 226 28 28 LEU CD1 C 26.420 0.300 2 227 28 28 LEU CD2 C 23.063 0.300 2 228 28 28 LEU CG C 27.604 0.300 1 229 28 28 LEU N N 122.100 0.300 1 230 29 29 ILE H H 7.984 0.030 1 231 29 29 ILE HA H 3.756 0.030 1 232 29 29 ILE HB H 1.781 0.030 1 233 29 29 ILE HD1 H 0.773 0.030 1 234 29 29 ILE HG12 H 1.205 0.030 2 235 29 29 ILE HG13 H 1.541 0.030 2 236 29 29 ILE HG2 H 0.883 0.030 1 237 29 29 ILE C C 179.038 0.300 1 238 29 29 ILE CA C 64.607 0.300 1 239 29 29 ILE CB C 37.720 0.300 1 240 29 29 ILE CD1 C 12.370 0.300 1 241 29 29 ILE CG1 C 29.063 0.300 1 242 29 29 ILE CG2 C 17.156 0.300 1 243 29 29 ILE N N 119.727 0.300 1 244 30 30 GLN H H 7.517 0.030 1 245 30 30 GLN HA H 3.956 0.030 1 246 30 30 GLN HB2 H 2.059 0.030 1 247 30 30 GLN HB3 H 2.059 0.030 1 248 30 30 GLN HE21 H 6.858 0.030 2 249 30 30 GLN HE22 H 7.443 0.030 2 250 30 30 GLN HG2 H 2.434 0.030 1 251 30 30 GLN HG3 H 2.434 0.030 1 252 30 30 GLN C C 178.632 0.300 1 253 30 30 GLN CA C 58.737 0.300 1 254 30 30 GLN CB C 28.472 0.300 1 255 30 30 GLN CG C 33.599 0.300 1 256 30 30 GLN N N 117.514 0.300 1 257 30 30 GLN NE2 N 111.746 0.300 1 258 31 31 HIS H H 7.677 0.030 1 259 31 31 HIS HA H 4.199 0.030 1 260 31 31 HIS HB2 H 3.181 0.030 2 261 31 31 HIS HB3 H 2.885 0.030 2 262 31 31 HIS HD2 H 6.944 0.030 1 263 31 31 HIS HE1 H 8.054 0.030 1 264 31 31 HIS C C 176.197 0.300 1 265 31 31 HIS CA C 59.127 0.300 1 266 31 31 HIS CB C 28.525 0.300 1 267 31 31 HIS CD2 C 127.168 0.300 1 268 31 31 HIS CE1 C 139.683 0.300 1 269 31 31 HIS N N 119.357 0.300 1 270 32 32 GLN H H 8.416 0.030 1 271 32 32 GLN HA H 3.673 0.030 1 272 32 32 GLN HB2 H 2.329 0.030 2 273 32 32 GLN HB3 H 2.230 0.030 2 274 32 32 GLN HE21 H 6.955 0.030 2 275 32 32 GLN HE22 H 7.595 0.030 2 276 32 32 GLN HG2 H 2.821 0.030 2 277 32 32 GLN HG3 H 2.884 0.030 2 278 32 32 GLN C C 177.351 0.300 1 279 32 32 GLN CA C 59.427 0.300 1 280 32 32 GLN CB C 28.272 0.300 1 281 32 32 GLN CG C 35.691 0.300 1 282 32 32 GLN N N 115.505 0.300 1 283 32 32 GLN NE2 N 112.117 0.300 1 284 33 33 ARG H H 7.142 0.030 1 285 33 33 ARG HA H 4.142 0.030 1 286 33 33 ARG HB2 H 1.789 0.030 2 287 33 33 ARG HB3 H 1.893 0.030 2 288 33 33 ARG HD2 H 3.207 0.030 1 289 33 33 ARG HD3 H 3.207 0.030 1 290 33 33 ARG HG2 H 1.859 0.030 2 291 33 33 ARG HG3 H 1.672 0.030 2 292 33 33 ARG C C 178.577 0.300 1 293 33 33 ARG CA C 58.528 0.300 1 294 33 33 ARG CB C 30.050 0.300 1 295 33 33 ARG CD C 43.541 0.300 1 296 33 33 ARG CG C 27.649 0.300 1 297 33 33 ARG N N 117.705 0.300 1 298 34 34 ILE H H 7.823 0.030 1 299 34 34 ILE HA H 3.992 0.030 1 300 34 34 ILE HB H 1.689 0.030 1 301 34 34 ILE HD1 H 0.721 0.030 1 302 34 34 ILE HG12 H 0.958 0.030 2 303 34 34 ILE HG13 H 0.797 0.030 2 304 34 34 ILE HG2 H 0.577 0.030 1 305 34 34 ILE C C 177.375 0.300 1 306 34 34 ILE CA C 63.026 0.300 1 307 34 34 ILE CB C 37.726 0.300 1 308 34 34 ILE CD1 C 14.330 0.300 1 309 34 34 ILE CG1 C 26.785 0.300 1 310 34 34 ILE CG2 C 16.542 0.300 1 311 34 34 ILE N N 116.218 0.300 1 312 35 35 HIS H H 7.216 0.030 1 313 35 35 HIS HA H 4.877 0.030 1 314 35 35 HIS HB2 H 3.368 0.030 2 315 35 35 HIS HB3 H 3.246 0.030 2 316 35 35 HIS HD2 H 6.771 0.030 1 317 35 35 HIS HE1 H 8.064 0.030 1 318 35 35 HIS C C 175.858 0.300 1 319 35 35 HIS CA C 55.266 0.300 1 320 35 35 HIS CB C 28.572 0.300 1 321 35 35 HIS CD2 C 127.640 0.300 1 322 35 35 HIS CE1 C 139.987 0.300 1 323 35 35 HIS N N 117.783 0.300 1 324 36 36 THR H H 7.777 0.030 1 325 36 36 THR HA H 4.364 0.030 1 326 36 36 THR HB H 4.337 0.030 1 327 36 36 THR HG2 H 1.250 0.030 1 328 36 36 THR CA C 62.546 0.300 1 329 36 36 THR CB C 69.837 0.300 1 330 36 36 THR CG2 C 21.618 0.300 1 331 36 36 THR N N 111.738 0.300 1 332 37 37 GLY H H 8.217 0.030 1 333 37 37 GLY HA2 H 3.965 0.030 2 334 37 37 GLY HA3 H 4.039 0.030 2 335 37 37 GLY CA C 45.457 0.300 1 336 37 37 GLY N N 110.619 0.300 1 337 38 38 GLU H H 8.082 0.030 1 338 38 38 GLU HA H 4.256 0.030 1 339 38 38 GLU HB2 H 1.917 0.030 2 340 38 38 GLU HB3 H 2.000 0.030 2 341 38 38 GLU HG2 H 2.279 0.030 2 342 38 38 GLU HG3 H 2.217 0.030 2 343 38 38 GLU CA C 56.478 0.300 1 344 38 38 GLU CB C 30.553 0.300 1 345 38 38 GLU CG C 36.310 0.300 1 346 38 38 GLU N N 120.591 0.300 1 347 39 39 LYS H H 8.389 0.030 1 348 39 39 LYS HA H 4.620 0.030 1 349 39 39 LYS HB2 H 1.826 0.030 2 350 39 39 LYS HB3 H 1.735 0.030 2 351 39 39 LYS HD2 H 1.696 0.030 1 352 39 39 LYS HD3 H 1.696 0.030 1 353 39 39 LYS HE2 H 3.013 0.030 1 354 39 39 LYS HE3 H 3.013 0.030 1 355 39 39 LYS HG2 H 1.480 0.030 1 356 39 39 LYS HG3 H 1.480 0.030 1 357 39 39 LYS CA C 54.115 0.300 1 358 39 39 LYS CB C 32.537 0.300 1 359 39 39 LYS CD C 29.136 0.300 1 360 39 39 LYS CE C 42.248 0.300 1 361 39 39 LYS CG C 24.520 0.300 1 362 39 39 LYS N N 123.767 0.300 1 363 40 40 PRO HA H 4.485 0.030 1 364 40 40 PRO HB2 H 2.305 0.030 2 365 40 40 PRO HB3 H 1.941 0.030 2 366 40 40 PRO HD2 H 3.659 0.030 2 367 40 40 PRO HD3 H 3.827 0.030 2 368 40 40 PRO HG2 H 2.027 0.030 1 369 40 40 PRO HG3 H 2.027 0.030 1 370 40 40 PRO C C 176.986 0.300 1 371 40 40 PRO CA C 63.272 0.300 1 372 40 40 PRO CB C 32.169 0.300 1 373 40 40 PRO CD C 50.699 0.300 1 374 40 40 PRO CG C 27.399 0.300 1 375 41 41 SER H H 8.476 0.030 1 376 41 41 SER HA H 4.479 0.030 1 377 41 41 SER HB2 H 3.903 0.030 1 378 41 41 SER HB3 H 3.903 0.030 1 379 41 41 SER C C 174.486 0.300 1 380 41 41 SER CA C 58.389 0.300 1 381 41 41 SER CB C 63.988 0.300 1 382 41 41 SER N N 116.480 0.300 1 383 42 42 GLY HA2 H 4.116 0.030 2 384 42 42 GLY HA3 H 4.172 0.030 2 385 42 42 GLY CA C 44.694 0.300 1 386 43 43 PRO HA H 4.471 0.030 1 387 43 43 PRO HB2 H 2.315 0.030 2 388 43 43 PRO HB3 H 1.975 0.030 2 389 43 43 PRO HD2 H 3.637 0.030 1 390 43 43 PRO HD3 H 3.637 0.030 1 391 43 43 PRO HG2 H 2.019 0.030 1 392 43 43 PRO HG3 H 2.019 0.030 1 393 43 43 PRO CA C 63.242 0.300 1 394 43 43 PRO CB C 32.211 0.300 1 395 43 43 PRO CD C 49.812 0.300 1 396 43 43 PRO CG C 27.108 0.300 1 397 45 45 SER HA H 4.501 0.030 1 398 45 45 SER HB2 H 3.902 0.030 1 399 45 45 SER HB3 H 3.902 0.030 1 400 45 45 SER C C 173.879 0.300 1 401 45 45 SER CA C 58.322 0.300 1 402 45 45 SER CB C 63.990 0.300 1 403 46 46 GLY H H 8.041 0.030 1 404 46 46 GLY HA2 H 3.763 0.030 2 405 46 46 GLY HA3 H 3.798 0.030 2 406 46 46 GLY C C 179.001 0.300 1 407 46 46 GLY CA C 46.224 0.300 1 408 46 46 GLY N N 116.860 0.300 1 stop_ save_