data_10310 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 396-428) of human Zinc finger protein 347 ; _BMRB_accession_number 10310 _BMRB_flat_file_name bmr10310.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" 161 "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 396-428) 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 ; GSSGSSGSGEKPYKCNECGK VFTQNSHLTNHWRIHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 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 THR 30 ASN 31 HIS 32 TRP 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 2YTK "Solution Structure Of The C2h2 Type Zinc Finger (Region 396- 428) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 2.46e-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 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 15 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 18 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 31 HIS NE2 'ZINC ION' . . ZN single coordination zf-C2H2 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 15 CYS HG zf-C2H2 18 CYS HG zf-C2H2 31 HIS HE2 zf-C2H2 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 P070115-12 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 'structure solution' refinement 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 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 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 _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 SER HA H 4.444 0.030 1 2 8 8 SER HB2 H 3.858 0.030 2 3 8 8 SER C C 175.110 0.300 1 4 8 8 SER CA C 58.513 0.300 1 5 8 8 SER CB C 63.916 0.300 1 6 9 9 GLY H H 8.484 0.030 1 7 9 9 GLY HA2 H 3.965 0.030 1 8 9 9 GLY HA3 H 3.965 0.030 1 9 9 9 GLY C C 174.065 0.300 1 10 9 9 GLY CA C 45.290 0.300 1 11 9 9 GLY N N 110.933 0.300 1 12 10 10 GLU H H 8.058 0.030 1 13 10 10 GLU HA H 4.240 0.030 1 14 10 10 GLU HB2 H 1.894 0.030 2 15 10 10 GLU HB3 H 1.987 0.030 2 16 10 10 GLU HG2 H 2.203 0.030 2 17 10 10 GLU HG3 H 2.266 0.030 2 18 10 10 GLU C C 176.157 0.300 1 19 10 10 GLU CA C 56.474 0.300 1 20 10 10 GLU CB C 30.603 0.300 1 21 10 10 GLU CG C 36.283 0.300 1 22 10 10 GLU N N 120.522 0.300 1 23 11 11 LYS H H 8.299 0.030 1 24 11 11 LYS HA H 4.555 0.030 1 25 11 11 LYS HB2 H 1.638 0.030 1 26 11 11 LYS HB3 H 1.638 0.030 1 27 11 11 LYS HD2 H 1.590 0.030 1 28 11 11 LYS HD3 H 1.590 0.030 1 29 11 11 LYS HE2 H 2.937 0.030 1 30 11 11 LYS HE3 H 2.937 0.030 1 31 11 11 LYS HG2 H 1.298 0.030 2 32 11 11 LYS HG3 H 1.351 0.030 2 33 11 11 LYS C C 173.965 0.300 1 34 11 11 LYS CA C 53.881 0.300 1 35 11 11 LYS CB C 32.666 0.300 1 36 11 11 LYS CD C 29.441 0.300 1 37 11 11 LYS CE C 42.119 0.300 1 38 11 11 LYS CG C 24.628 0.300 1 39 11 11 LYS N N 122.947 0.300 1 40 12 12 PRO HA H 4.341 0.030 1 41 12 12 PRO HB2 H 1.504 0.030 2 42 12 12 PRO HB3 H 2.076 0.030 2 43 12 12 PRO HD2 H 3.566 0.030 2 44 12 12 PRO HD3 H 3.655 0.030 2 45 12 12 PRO HG2 H 1.739 0.030 2 46 12 12 PRO HG3 H 1.885 0.030 2 47 12 12 PRO C C 176.434 0.300 1 48 12 12 PRO CA C 62.949 0.300 1 49 12 12 PRO CB C 32.273 0.300 1 50 12 12 PRO CD C 50.290 0.300 1 51 12 12 PRO CG C 26.845 0.300 1 52 13 13 TYR H H 8.117 0.030 1 53 13 13 TYR HA H 4.619 0.030 1 54 13 13 TYR HB2 H 2.884 0.030 2 55 13 13 TYR HB3 H 2.929 0.030 2 56 13 13 TYR HD1 H 6.958 0.030 1 57 13 13 TYR HD2 H 6.958 0.030 1 58 13 13 TYR HE1 H 6.805 0.030 1 59 13 13 TYR HE2 H 6.805 0.030 1 60 13 13 TYR C C 173.970 0.300 1 61 13 13 TYR CA C 57.300 0.300 1 62 13 13 TYR CB C 38.300 0.300 1 63 13 13 TYR CD1 C 132.999 0.300 1 64 13 13 TYR CD2 C 132.999 0.300 1 65 13 13 TYR CE1 C 118.271 0.300 1 66 13 13 TYR CE2 C 118.271 0.300 1 67 13 13 TYR N N 119.925 0.300 1 68 14 14 LYS H H 8.390 0.030 1 69 14 14 LYS HA H 5.114 0.030 1 70 14 14 LYS HB2 H 1.513 0.030 2 71 14 14 LYS HB3 H 1.735 0.030 2 72 14 14 LYS HD2 H 1.574 0.030 1 73 14 14 LYS HD3 H 1.574 0.030 1 74 14 14 LYS HE2 H 2.932 0.030 1 75 14 14 LYS HE3 H 2.932 0.030 1 76 14 14 LYS HG2 H 1.162 0.030 2 77 14 14 LYS HG3 H 1.082 0.030 2 78 14 14 LYS C C 175.094 0.300 1 79 14 14 LYS CA C 54.701 0.300 1 80 14 14 LYS CB C 36.096 0.300 1 81 14 14 LYS CD C 29.634 0.300 1 82 14 14 LYS CE C 41.995 0.300 1 83 14 14 LYS CG C 24.397 0.300 1 84 14 14 LYS N N 124.755 0.300 1 85 15 15 CYS H H 9.348 0.030 1 86 15 15 CYS HA H 4.732 0.030 1 87 15 15 CYS HB2 H 2.842 0.030 2 88 15 15 CYS HB3 H 3.364 0.030 2 89 15 15 CYS C C 177.332 0.300 1 90 15 15 CYS CA C 59.636 0.300 1 91 15 15 CYS CB C 29.852 0.300 1 92 15 15 CYS N N 128.093 0.300 1 93 16 16 ASN H H 9.557 0.030 1 94 16 16 ASN HA H 4.592 0.030 1 95 16 16 ASN HB2 H 2.954 0.030 1 96 16 16 ASN HB3 H 2.954 0.030 1 97 16 16 ASN HD21 H 6.999 0.030 2 98 16 16 ASN HD22 H 7.733 0.030 2 99 16 16 ASN C C 175.464 0.300 1 100 16 16 ASN CA C 55.596 0.300 1 101 16 16 ASN CB C 38.725 0.300 1 102 16 16 ASN N N 130.352 0.300 1 103 16 16 ASN ND2 N 113.287 0.300 1 104 17 17 GLU H H 8.937 0.030 1 105 17 17 GLU HA H 4.294 0.030 1 106 17 17 GLU HB2 H 1.226 0.030 2 107 17 17 GLU HB3 H 1.481 0.030 2 108 17 17 GLU HG2 H 1.691 0.030 2 109 17 17 GLU HG3 H 1.763 0.030 2 110 17 17 GLU C C 177.084 0.300 1 111 17 17 GLU CA C 58.294 0.300 1 112 17 17 GLU CB C 29.684 0.300 1 113 17 17 GLU CG C 35.275 0.300 1 114 17 17 GLU N N 121.424 0.300 1 115 18 18 CYS H H 8.120 0.030 1 116 18 18 CYS HA H 5.181 0.030 1 117 18 18 CYS HB2 H 2.876 0.030 2 118 18 18 CYS HB3 H 3.434 0.030 2 119 18 18 CYS C C 176.445 0.300 1 120 18 18 CYS CA C 58.394 0.300 1 121 18 18 CYS CB C 32.388 0.300 1 122 18 18 CYS N N 115.084 0.300 1 123 19 19 GLY H H 8.181 0.030 1 124 19 19 GLY HA2 H 3.759 0.030 2 125 19 19 GLY HA3 H 4.238 0.030 2 126 19 19 GLY C C 173.528 0.300 1 127 19 19 GLY CA C 46.275 0.300 1 128 19 19 GLY N N 113.584 0.300 1 129 20 20 LYS H H 7.862 0.030 1 130 20 20 LYS HA H 3.979 0.030 1 131 20 20 LYS HB2 H 1.186 0.030 2 132 20 20 LYS HB3 H 1.393 0.030 2 133 20 20 LYS HD2 H 1.457 0.030 2 134 20 20 LYS HD3 H 1.523 0.030 2 135 20 20 LYS HE2 H 2.919 0.030 1 136 20 20 LYS HE3 H 2.919 0.030 1 137 20 20 LYS HG2 H 1.045 0.030 2 138 20 20 LYS HG3 H 1.445 0.030 2 139 20 20 LYS C C 174.183 0.300 1 140 20 20 LYS CA C 58.247 0.300 1 141 20 20 LYS CB C 33.774 0.300 1 142 20 20 LYS CD C 29.308 0.300 1 143 20 20 LYS CE C 42.117 0.300 1 144 20 20 LYS CG C 26.413 0.300 1 145 20 20 LYS N N 122.641 0.300 1 146 21 21 VAL H H 7.601 0.030 1 147 21 21 VAL HA H 4.752 0.030 1 148 21 21 VAL HB H 1.853 0.030 1 149 21 21 VAL HG1 H 0.840 0.030 1 150 21 21 VAL HG2 H 0.831 0.030 1 151 21 21 VAL C C 175.231 0.300 1 152 21 21 VAL CA C 60.513 0.300 1 153 21 21 VAL CB C 33.979 0.300 1 154 21 21 VAL CG1 C 21.946 0.300 2 155 21 21 VAL CG2 C 20.446 0.300 2 156 21 21 VAL N N 117.405 0.300 1 157 22 22 PHE H H 8.780 0.030 1 158 22 22 PHE HA H 4.933 0.030 1 159 22 22 PHE HB2 H 3.540 0.030 2 160 22 22 PHE HB3 H 2.743 0.030 2 161 22 22 PHE HD1 H 7.273 0.030 1 162 22 22 PHE HD2 H 7.273 0.030 1 163 22 22 PHE HE1 H 6.838 0.030 1 164 22 22 PHE HE2 H 6.838 0.030 1 165 22 22 PHE HZ H 6.167 0.030 1 166 22 22 PHE C C 175.647 0.300 1 167 22 22 PHE CA C 56.826 0.300 1 168 22 22 PHE CB C 43.595 0.300 1 169 22 22 PHE CD1 C 132.475 0.300 1 170 22 22 PHE CD2 C 132.475 0.300 1 171 22 22 PHE CE1 C 130.625 0.300 1 172 22 22 PHE CE2 C 130.625 0.300 1 173 22 22 PHE CZ C 128.699 0.300 1 174 22 22 PHE N N 121.626 0.300 1 175 23 23 THR H H 9.541 0.030 1 176 23 23 THR HA H 4.590 0.030 1 177 23 23 THR HB H 4.497 0.030 1 178 23 23 THR HG2 H 1.347 0.030 1 179 23 23 THR C C 174.850 0.300 1 180 23 23 THR CA C 63.151 0.300 1 181 23 23 THR CB C 69.768 0.300 1 182 23 23 THR CG2 C 22.361 0.300 1 183 23 23 THR N N 111.100 0.300 1 184 24 24 GLN H H 7.089 0.030 1 185 24 24 GLN HA H 4.509 0.030 1 186 24 24 GLN HB2 H 1.893 0.030 2 187 24 24 GLN HB3 H 0.925 0.030 2 188 24 24 GLN HE21 H 6.826 0.030 2 189 24 24 GLN HE22 H 7.313 0.030 2 190 24 24 GLN HG2 H 2.028 0.030 2 191 24 24 GLN HG3 H 2.105 0.030 2 192 24 24 GLN C C 175.706 0.300 1 193 24 24 GLN CA C 53.994 0.300 1 194 24 24 GLN CB C 31.796 0.300 1 195 24 24 GLN CG C 33.246 0.300 1 196 24 24 GLN N N 115.697 0.300 1 197 24 24 GLN NE2 N 111.924 0.300 1 198 25 25 ASN HA H 3.532 0.030 1 199 25 25 ASN HB2 H 2.450 0.030 2 200 25 25 ASN HB3 H 2.223 0.030 2 201 25 25 ASN HD21 H 6.766 0.030 2 202 25 25 ASN HD22 H 7.263 0.030 2 203 25 25 ASN CA C 56.253 0.300 1 204 25 25 ASN CB C 38.481 0.300 1 205 25 25 ASN ND2 N 112.473 0.300 1 206 26 26 SER HA H 4.036 0.030 1 207 26 26 SER HB2 H 3.811 0.030 1 208 26 26 SER HB3 H 3.811 0.030 1 209 26 26 SER C C 176.553 0.300 1 210 26 26 SER CA C 60.832 0.300 1 211 26 26 SER CB C 61.640 0.300 1 212 27 27 HIS H H 6.699 0.030 1 213 27 27 HIS HA H 4.463 0.030 1 214 27 27 HIS HB2 H 3.197 0.030 2 215 27 27 HIS HB3 H 3.274 0.030 2 216 27 27 HIS HD2 H 6.910 0.030 1 217 27 27 HIS HE1 H 7.737 0.030 1 218 27 27 HIS C C 178.263 0.300 1 219 27 27 HIS CA C 56.826 0.300 1 220 27 27 HIS CB C 31.723 0.300 1 221 27 27 HIS CD2 C 116.696 0.300 1 222 27 27 HIS CE1 C 139.184 0.300 1 223 27 27 HIS N N 120.689 0.300 1 224 28 28 LEU H H 6.930 0.030 1 225 28 28 LEU HA H 3.228 0.030 1 226 28 28 LEU HB2 H 1.977 0.030 2 227 28 28 LEU HB3 H 1.136 0.030 2 228 28 28 LEU HD1 H 0.978 0.030 1 229 28 28 LEU HD2 H 1.027 0.030 1 230 28 28 LEU HG H 1.248 0.030 1 231 28 28 LEU C C 177.108 0.300 1 232 28 28 LEU CA C 57.759 0.300 1 233 28 28 LEU CB C 40.566 0.300 1 234 28 28 LEU CD1 C 22.779 0.300 2 235 28 28 LEU CD2 C 26.538 0.300 2 236 28 28 LEU CG C 27.253 0.300 1 237 28 28 LEU N N 122.058 0.300 1 238 29 29 THR H H 8.277 0.030 1 239 29 29 THR HA H 3.617 0.030 1 240 29 29 THR HB H 4.072 0.030 1 241 29 29 THR HG2 H 1.100 0.030 1 242 29 29 THR C C 177.089 0.300 1 243 29 29 THR CA C 66.044 0.300 1 244 29 29 THR CB C 68.287 0.300 1 245 29 29 THR CG2 C 21.759 0.300 1 246 29 29 THR N N 114.375 0.300 1 247 30 30 ASN H H 7.688 0.030 1 248 30 30 ASN HA H 4.434 0.030 1 249 30 30 ASN HB2 H 2.727 0.030 2 250 30 30 ASN HB3 H 2.776 0.030 2 251 30 30 ASN HD21 H 7.700 0.030 2 252 30 30 ASN HD22 H 6.961 0.030 2 253 30 30 ASN C C 177.425 0.300 1 254 30 30 ASN CA C 56.047 0.300 1 255 30 30 ASN CB C 38.554 0.300 1 256 30 30 ASN N N 118.698 0.300 1 257 30 30 ASN ND2 N 113.369 0.300 1 258 31 31 HIS H H 7.694 0.030 1 259 31 31 HIS HA H 4.195 0.030 1 260 31 31 HIS HB2 H 2.854 0.030 2 261 31 31 HIS HB3 H 3.228 0.030 2 262 31 31 HIS HD2 H 7.018 0.030 1 263 31 31 HIS HE1 H 8.006 0.030 1 264 31 31 HIS C C 175.857 0.300 1 265 31 31 HIS CA C 59.180 0.300 1 266 31 31 HIS CB C 28.494 0.300 1 267 31 31 HIS CD2 C 127.265 0.300 1 268 31 31 HIS CE1 C 139.421 0.300 1 269 31 31 HIS N N 120.687 0.300 1 270 32 32 TRP H H 8.340 0.030 1 271 32 32 TRP HA H 4.163 0.030 1 272 32 32 TRP HB2 H 3.383 0.030 2 273 32 32 TRP HB3 H 3.506 0.030 2 274 32 32 TRP HD1 H 7.485 0.030 1 275 32 32 TRP HE1 H 10.200 0.030 1 276 32 32 TRP HE3 H 7.827 0.030 1 277 32 32 TRP HH2 H 7.287 0.030 1 278 32 32 TRP HZ2 H 7.605 0.030 1 279 32 32 TRP HZ3 H 7.205 0.030 1 280 32 32 TRP C C 177.464 0.300 1 281 32 32 TRP CA C 60.247 0.300 1 282 32 32 TRP CB C 29.409 0.300 1 283 32 32 TRP CD1 C 125.785 0.300 1 284 32 32 TRP CE3 C 121.036 0.300 1 285 32 32 TRP CH2 C 124.804 0.300 1 286 32 32 TRP CZ2 C 114.765 0.300 1 287 32 32 TRP CZ3 C 122.217 0.300 1 288 32 32 TRP N N 117.647 0.300 1 289 32 32 TRP NE1 N 128.707 0.300 1 290 33 33 ARG H H 7.177 0.030 1 291 33 33 ARG HA H 4.137 0.030 1 292 33 33 ARG HB2 H 1.807 0.030 2 293 33 33 ARG HB3 H 1.872 0.030 2 294 33 33 ARG HD2 H 3.231 0.030 2 295 33 33 ARG HG2 H 1.664 0.030 2 296 33 33 ARG HG3 H 1.820 0.030 2 297 33 33 ARG C C 178.669 0.300 1 298 33 33 ARG CA C 58.622 0.300 1 299 33 33 ARG CB C 30.006 0.300 1 300 33 33 ARG CD C 43.504 0.300 1 301 33 33 ARG CG C 27.755 0.300 1 302 33 33 ARG N N 115.583 0.300 1 303 34 34 ILE H H 7.914 0.030 1 304 34 34 ILE HA H 3.953 0.030 1 305 34 34 ILE HB H 1.623 0.030 1 306 34 34 ILE HD1 H 0.686 0.030 1 307 34 34 ILE HG12 H 0.933 0.030 2 308 34 34 ILE HG13 H 0.768 0.030 2 309 34 34 ILE HG2 H 0.537 0.030 1 310 34 34 ILE C C 177.477 0.300 1 311 34 34 ILE CA C 63.032 0.300 1 312 34 34 ILE CB C 37.604 0.300 1 313 34 34 ILE CD1 C 14.241 0.300 1 314 34 34 ILE CG1 C 26.934 0.300 1 315 34 34 ILE CG2 C 16.594 0.300 1 316 34 34 ILE N N 116.843 0.300 1 317 35 35 HIS H H 7.340 0.030 1 318 35 35 HIS HA H 4.773 0.030 1 319 35 35 HIS HB2 H 3.146 0.030 2 320 35 35 HIS HB3 H 2.850 0.030 2 321 35 35 HIS HD2 H 6.442 0.030 1 322 35 35 HIS HE1 H 8.012 0.030 1 323 35 35 HIS C C 175.833 0.300 1 324 35 35 HIS CA C 55.311 0.300 1 325 35 35 HIS CB C 28.452 0.300 1 326 35 35 HIS CD2 C 127.653 0.300 1 327 35 35 HIS CE1 C 139.794 0.300 1 328 35 35 HIS N N 117.846 0.300 1 329 36 36 THR H H 7.727 0.030 1 330 36 36 THR HA H 4.320 0.030 1 331 36 36 THR HB H 4.311 0.030 1 332 36 36 THR HG2 H 1.180 0.030 1 333 36 36 THR C C 175.524 0.300 1 334 36 36 THR CA C 62.493 0.300 1 335 36 36 THR CB C 69.873 0.300 1 336 36 36 THR CG2 C 21.582 0.300 1 337 36 36 THR N N 111.086 0.300 1 338 37 37 GLY H H 8.172 0.030 1 339 37 37 GLY HA2 H 3.937 0.030 2 340 37 37 GLY HA3 H 4.020 0.030 2 341 37 37 GLY C C 174.042 0.300 1 342 37 37 GLY CA C 45.326 0.300 1 343 37 37 GLY N N 110.526 0.300 1 344 38 38 GLU H H 8.236 0.030 1 345 38 38 GLU HA H 4.255 0.030 1 346 38 38 GLU HB2 H 2.011 0.030 2 347 38 38 GLU HB3 H 1.895 0.030 2 348 38 38 GLU HG2 H 2.267 0.030 2 349 38 38 GLU HG3 H 2.212 0.030 2 350 38 38 GLU C C 176.238 0.300 1 351 38 38 GLU CA C 56.565 0.300 1 352 38 38 GLU CB C 30.452 0.300 1 353 38 38 GLU CG C 36.294 0.300 1 354 38 38 GLU N N 120.532 0.300 1 355 39 39 LYS H H 8.385 0.030 1 356 39 39 LYS HA H 4.580 0.030 1 357 39 39 LYS HB2 H 1.704 0.030 2 358 39 39 LYS HB3 H 1.800 0.030 2 359 39 39 LYS HD2 H 1.672 0.030 1 360 39 39 LYS HD3 H 1.672 0.030 1 361 39 39 LYS HE2 H 2.990 0.030 1 362 39 39 LYS HE3 H 2.990 0.030 1 363 39 39 LYS HG2 H 1.453 0.030 1 364 39 39 LYS HG3 H 1.453 0.030 1 365 39 39 LYS C C 174.444 0.300 1 366 39 39 LYS CA C 54.080 0.300 1 367 39 39 LYS CB C 32.503 0.300 1 368 39 39 LYS CD C 29.138 0.300 1 369 39 39 LYS CE C 42.169 0.300 1 370 39 39 LYS CG C 24.492 0.300 1 371 39 39 LYS N N 123.682 0.300 1 372 40 40 PRO HA H 4.438 0.030 1 373 40 40 PRO HB2 H 2.290 0.030 2 374 40 40 PRO HB3 H 1.923 0.030 2 375 40 40 PRO HD2 H 3.790 0.030 2 376 40 40 PRO HD3 H 3.622 0.030 2 377 40 40 PRO HG2 H 1.977 0.030 2 378 40 40 PRO HG3 H 2.020 0.030 2 379 40 40 PRO C C 176.942 0.300 1 380 40 40 PRO CA C 63.210 0.300 1 381 40 40 PRO CB C 32.183 0.300 1 382 40 40 PRO CD C 50.668 0.300 1 383 40 40 PRO CG C 27.375 0.300 1 384 41 41 SER H H 8.478 0.030 1 385 41 41 SER HA H 4.476 0.030 1 386 41 41 SER HB2 H 3.904 0.030 1 387 41 41 SER HB3 H 3.904 0.030 1 388 41 41 SER C C 174.630 0.300 1 389 41 41 SER CA C 58.369 0.300 1 390 41 41 SER CB C 63.989 0.300 1 391 41 41 SER N N 116.501 0.300 1 392 42 42 GLY HA2 H 4.131 0.030 1 393 42 42 GLY HA3 H 4.131 0.030 1 394 42 42 GLY CA C 44.668 0.300 1 395 43 43 PRO HA H 4.464 0.030 1 396 43 43 PRO HB2 H 2.289 0.030 2 397 43 43 PRO HB3 H 1.963 0.030 2 398 43 43 PRO HD2 H 3.613 0.030 1 399 43 43 PRO HD3 H 3.613 0.030 1 400 43 43 PRO HG2 H 2.008 0.030 1 401 43 43 PRO HG3 H 2.008 0.030 1 402 43 43 PRO CA C 63.256 0.300 1 403 43 43 PRO CB C 32.209 0.300 1 404 43 43 PRO CD C 49.791 0.300 1 405 43 43 PRO CG C 27.153 0.300 1 406 45 45 SER HA H 4.474 0.030 1 407 45 45 SER HB2 H 3.861 0.030 1 408 45 45 SER HB3 H 3.861 0.030 1 409 45 45 SER C C 173.885 0.300 1 410 45 45 SER CA C 58.394 0.300 1 411 45 45 SER CB C 64.005 0.300 1 412 46 46 GLY H H 8.046 0.030 1 413 46 46 GLY HA2 H 3.790 0.030 2 414 46 46 GLY HA3 H 3.746 0.030 2 415 46 46 GLY C C 178.965 0.300 1 416 46 46 GLY CA C 46.222 0.300 1 417 46 46 GLY N N 116.855 0.300 1 stop_ save_