data_10309 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 771-803) of human Zinc finger protein 484 ; _BMRB_accession_number 10309 _BMRB_flat_file_name bmr10309.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" 234 "13C chemical shifts" 171 "15N chemical shifts" 36 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 771-803) of human Zinc finger protein 484 ; _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 484' _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 ; GSSGSSGTGEKPYICAECGK AFTIRSNLIKHQKIHTKQKP 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 ILE 15 CYS 16 ALA 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 THR 24 ILE 25 ARG 26 SER 27 ASN 28 LEU 29 ILE 30 LYS 31 HIS 32 GLN 33 LYS 34 ILE 35 HIS 36 THR 37 LYS 38 GLN 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 2YTJ "Solution Structure Of The C2h2 Type Zinc Finger (region 771- 803) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 6.38e-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 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 P070207-04 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 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 4.037 0.030 1 2 7 7 GLY HA3 H 4.037 0.030 1 3 7 7 GLY C C 174.521 0.300 1 4 7 7 GLY CA C 45.441 0.300 1 5 8 8 THR H H 8.156 0.030 1 6 8 8 THR HA H 4.367 0.030 1 7 8 8 THR HB H 4.296 0.030 1 8 8 8 THR HG2 H 1.189 0.030 1 9 8 8 THR C C 175.252 0.300 1 10 8 8 THR CA C 61.883 0.300 1 11 8 8 THR CB C 69.839 0.300 1 12 8 8 THR CG2 C 21.513 0.300 1 13 8 8 THR N N 112.844 0.300 1 14 9 9 GLY H H 8.446 0.030 1 15 9 9 GLY HA2 H 3.921 0.030 2 16 9 9 GLY HA3 H 3.979 0.030 2 17 9 9 GLY C C 174.024 0.300 1 18 9 9 GLY CA C 45.274 0.300 1 19 9 9 GLY N N 111.009 0.300 1 20 10 10 GLU H H 8.219 0.030 1 21 10 10 GLU HA H 4.204 0.030 1 22 10 10 GLU HB2 H 1.891 0.030 2 23 10 10 GLU HB3 H 1.998 0.030 2 24 10 10 GLU HG2 H 2.206 0.030 2 25 10 10 GLU HG3 H 2.259 0.030 2 26 10 10 GLU C C 176.306 0.300 1 27 10 10 GLU CA C 56.756 0.300 1 28 10 10 GLU CB C 30.472 0.300 1 29 10 10 GLU CG C 36.315 0.300 1 30 10 10 GLU N N 120.440 0.300 1 31 11 11 LYS H H 8.269 0.030 1 32 11 11 LYS HA H 4.512 0.030 1 33 11 11 LYS HB2 H 1.562 0.030 2 34 11 11 LYS HB3 H 1.508 0.030 2 35 11 11 LYS HD2 H 1.508 0.030 1 36 11 11 LYS HD3 H 1.508 0.030 1 37 11 11 LYS HE2 H 2.903 0.030 1 38 11 11 LYS HE3 H 2.903 0.030 1 39 11 11 LYS HG2 H 1.256 0.030 2 40 11 11 LYS HG3 H 1.316 0.030 2 41 11 11 LYS C C 173.990 0.300 1 42 11 11 LYS CA C 53.883 0.300 1 43 11 11 LYS CB C 33.059 0.300 1 44 11 11 LYS CD C 29.469 0.300 1 45 11 11 LYS CE C 42.292 0.300 1 46 11 11 LYS CG C 24.702 0.300 1 47 11 11 LYS N N 122.187 0.300 1 48 12 12 PRO HA H 4.294 0.030 1 49 12 12 PRO HB2 H 2.017 0.030 2 50 12 12 PRO HB3 H 1.292 0.030 2 51 12 12 PRO HD2 H 3.628 0.030 1 52 12 12 PRO HD3 H 3.628 0.030 1 53 12 12 PRO HG2 H 1.585 0.030 2 54 12 12 PRO HG3 H 1.818 0.030 2 55 12 12 PRO C C 176.255 0.300 1 56 12 12 PRO CA C 63.254 0.300 1 57 12 12 PRO CB C 32.296 0.300 1 58 12 12 PRO CD C 50.195 0.300 1 59 12 12 PRO CG C 26.664 0.300 1 60 13 13 TYR H H 7.987 0.030 1 61 13 13 TYR HA H 4.646 0.030 1 62 13 13 TYR HB2 H 3.023 0.030 2 63 13 13 TYR HB3 H 2.865 0.030 2 64 13 13 TYR HD1 H 7.010 0.030 1 65 13 13 TYR HD2 H 7.010 0.030 1 66 13 13 TYR HE1 H 6.917 0.030 1 67 13 13 TYR HE2 H 6.917 0.030 1 68 13 13 TYR C C 174.373 0.300 1 69 13 13 TYR CA C 57.559 0.300 1 70 13 13 TYR CB C 38.553 0.300 1 71 13 13 TYR CD1 C 133.168 0.300 1 72 13 13 TYR CD2 C 133.168 0.300 1 73 13 13 TYR CE1 C 118.514 0.300 1 74 13 13 TYR CE2 C 118.514 0.300 1 75 13 13 TYR N N 119.031 0.300 1 76 14 14 ILE H H 8.503 0.030 1 77 14 14 ILE HA H 4.670 0.030 1 78 14 14 ILE HB H 1.671 0.030 1 79 14 14 ILE HD1 H 0.775 0.030 1 80 14 14 ILE HG12 H 1.385 0.030 2 81 14 14 ILE HG13 H 0.983 0.030 2 82 14 14 ILE HG2 H 0.697 0.030 1 83 14 14 ILE C C 175.919 0.300 1 84 14 14 ILE CA C 59.744 0.300 1 85 14 14 ILE CB C 40.548 0.300 1 86 14 14 ILE CD1 C 12.888 0.300 1 87 14 14 ILE CG1 C 27.802 0.300 1 88 14 14 ILE CG2 C 17.204 0.300 1 89 14 14 ILE N N 124.975 0.300 1 90 15 15 CYS H H 9.281 0.030 1 91 15 15 CYS HA H 4.471 0.030 1 92 15 15 CYS HB2 H 3.427 0.030 2 93 15 15 CYS HB3 H 2.909 0.030 2 94 15 15 CYS C C 176.724 0.300 1 95 15 15 CYS CA C 59.950 0.300 1 96 15 15 CYS CB C 29.421 0.300 1 97 15 15 CYS N N 129.753 0.300 1 98 16 16 ALA H H 9.332 0.030 1 99 16 16 ALA HA H 4.173 0.030 1 100 16 16 ALA HB H 1.528 0.030 1 101 16 16 ALA C C 178.049 0.300 1 102 16 16 ALA CA C 54.571 0.300 1 103 16 16 ALA CB C 18.910 0.300 1 104 16 16 ALA N N 135.503 0.300 1 105 17 17 GLU H H 8.512 0.030 1 106 17 17 GLU HA H 4.170 0.030 1 107 17 17 GLU HB2 H 1.304 0.030 2 108 17 17 GLU HB3 H 1.372 0.030 2 109 17 17 GLU HG2 H 1.753 0.030 2 110 17 17 GLU HG3 H 1.896 0.030 2 111 17 17 GLU C C 177.286 0.300 1 112 17 17 GLU CA C 58.287 0.300 1 113 17 17 GLU CB C 29.519 0.300 1 114 17 17 GLU CG C 35.708 0.300 1 115 17 17 GLU N N 117.857 0.300 1 116 18 18 CYS H H 7.872 0.030 1 117 18 18 CYS HA H 5.183 0.030 1 118 18 18 CYS HB2 H 3.444 0.030 2 119 18 18 CYS HB3 H 2.805 0.030 2 120 18 18 CYS C C 176.274 0.300 1 121 18 18 CYS CA C 58.407 0.300 1 122 18 18 CYS CB C 32.754 0.300 1 123 18 18 CYS N N 114.476 0.300 1 124 19 19 GLY H H 8.369 0.030 1 125 19 19 GLY HA2 H 4.221 0.030 2 126 19 19 GLY HA3 H 3.720 0.030 2 127 19 19 GLY C C 173.503 0.300 1 128 19 19 GLY CA C 46.066 0.300 1 129 19 19 GLY N N 113.980 0.300 1 130 20 20 LYS H H 8.045 0.030 1 131 20 20 LYS HA H 3.906 0.030 1 132 20 20 LYS HB2 H 1.484 0.030 2 133 20 20 LYS HB3 H 1.181 0.030 2 134 20 20 LYS HD2 H 1.372 0.030 2 135 20 20 LYS HD3 H 1.483 0.030 2 136 20 20 LYS HE2 H 2.953 0.030 2 137 20 20 LYS HE3 H 2.859 0.030 2 138 20 20 LYS HG2 H 0.990 0.030 2 139 20 20 LYS HG3 H 1.329 0.030 2 140 20 20 LYS C C 173.516 0.300 1 141 20 20 LYS CA C 58.415 0.300 1 142 20 20 LYS CB C 33.466 0.300 1 143 20 20 LYS CD C 29.238 0.300 1 144 20 20 LYS CE C 42.149 0.300 1 145 20 20 LYS CG C 26.119 0.300 1 146 20 20 LYS N N 123.513 0.300 1 147 21 21 ALA H H 7.769 0.030 1 148 21 21 ALA HA H 5.142 0.030 1 149 21 21 ALA HB H 1.189 0.030 1 150 21 21 ALA C C 176.491 0.300 1 151 21 21 ALA CA C 50.458 0.300 1 152 21 21 ALA CB C 22.705 0.300 1 153 21 21 ALA N N 124.875 0.300 1 154 22 22 PHE H H 8.993 0.030 1 155 22 22 PHE HA H 4.733 0.030 1 156 22 22 PHE HB2 H 3.444 0.030 2 157 22 22 PHE HB3 H 2.708 0.030 2 158 22 22 PHE HD1 H 7.355 0.030 1 159 22 22 PHE HD2 H 7.355 0.030 1 160 22 22 PHE HE1 H 6.856 0.030 1 161 22 22 PHE HE2 H 6.856 0.030 1 162 22 22 PHE HZ H 6.346 0.030 1 163 22 22 PHE C C 175.128 0.300 1 164 22 22 PHE CA C 57.490 0.300 1 165 22 22 PHE CB C 42.894 0.300 1 166 22 22 PHE CD1 C 132.545 0.300 1 167 22 22 PHE CD2 C 132.545 0.300 1 168 22 22 PHE CE1 C 130.639 0.300 1 169 22 22 PHE CE2 C 130.639 0.300 1 170 22 22 PHE CZ C 128.847 0.300 1 171 22 22 PHE N N 117.792 0.300 1 172 23 23 THR H H 8.942 0.030 1 173 23 23 THR HA H 4.501 0.030 1 174 23 23 THR HB H 4.389 0.030 1 175 23 23 THR HG2 H 1.373 0.030 1 176 23 23 THR C C 174.311 0.300 1 177 23 23 THR CA C 64.419 0.300 1 178 23 23 THR CB C 69.694 0.300 1 179 23 23 THR CG2 C 22.758 0.300 1 180 23 23 THR N N 116.360 0.300 1 181 24 24 ILE H H 7.649 0.030 1 182 24 24 ILE HA H 4.634 0.030 1 183 24 24 ILE HB H 2.007 0.030 1 184 24 24 ILE HD1 H 0.876 0.030 1 185 24 24 ILE HG12 H 1.247 0.030 2 186 24 24 ILE HG13 H 1.478 0.030 2 187 24 24 ILE HG2 H 0.999 0.030 1 188 24 24 ILE C C 176.775 0.300 1 189 24 24 ILE CA C 59.635 0.300 1 190 24 24 ILE CB C 40.451 0.300 1 191 24 24 ILE CD1 C 12.769 0.300 1 192 24 24 ILE CG1 C 26.899 0.300 1 193 24 24 ILE CG2 C 17.894 0.300 1 194 24 24 ILE N N 118.357 0.300 1 195 25 25 ARG H H 8.709 0.030 1 196 25 25 ARG HA H 2.913 0.030 1 197 25 25 ARG HB2 H 1.469 0.030 2 198 25 25 ARG HB3 H 0.837 0.030 2 199 25 25 ARG HD2 H 3.017 0.030 1 200 25 25 ARG HD3 H 3.017 0.030 1 201 25 25 ARG HG2 H 1.051 0.030 2 202 25 25 ARG HG3 H 1.299 0.030 2 203 25 25 ARG C C 178.387 0.300 1 204 25 25 ARG CA C 60.288 0.300 1 205 25 25 ARG CB C 29.217 0.300 1 206 25 25 ARG CD C 43.187 0.300 1 207 25 25 ARG CG C 27.787 0.300 1 208 25 25 ARG N N 130.520 0.300 1 209 26 26 SER H H 8.554 0.030 1 210 26 26 SER HA H 3.926 0.030 1 211 26 26 SER HB2 H 3.799 0.030 2 212 26 26 SER HB3 H 3.825 0.030 2 213 26 26 SER C C 176.946 0.300 1 214 26 26 SER CA C 61.482 0.300 1 215 26 26 SER CB C 61.728 0.300 1 216 26 26 SER N N 112.523 0.300 1 217 27 27 ASN H H 7.105 0.030 1 218 27 27 ASN HA H 4.616 0.030 1 219 27 27 ASN HB2 H 3.119 0.030 2 220 27 27 ASN HB3 H 2.819 0.030 2 221 27 27 ASN HD21 H 8.197 0.030 2 222 27 27 ASN HD22 H 7.482 0.030 2 223 27 27 ASN C C 177.587 0.300 1 224 27 27 ASN CA C 54.725 0.300 1 225 27 27 ASN CB C 37.392 0.300 1 226 27 27 ASN N N 119.330 0.300 1 227 27 27 ASN ND2 N 114.555 0.300 1 228 28 28 LEU H H 6.928 0.030 1 229 28 28 LEU HA H 3.080 0.030 1 230 28 28 LEU HB2 H 2.068 0.030 2 231 28 28 LEU HB3 H 1.176 0.030 2 232 28 28 LEU HD1 H 0.970 0.030 1 233 28 28 LEU HD2 H 1.009 0.030 1 234 28 28 LEU HG H 1.429 0.030 1 235 28 28 LEU C C 177.379 0.300 1 236 28 28 LEU CA C 58.046 0.300 1 237 28 28 LEU CB C 39.676 0.300 1 238 28 28 LEU CD1 C 26.497 0.300 2 239 28 28 LEU CD2 C 22.893 0.300 2 240 28 28 LEU CG C 27.629 0.300 1 241 28 28 LEU N N 124.567 0.300 1 242 29 29 ILE H H 7.785 0.030 1 243 29 29 ILE HA H 3.679 0.030 1 244 29 29 ILE HB H 1.780 0.030 1 245 29 29 ILE HD1 H 0.702 0.030 1 246 29 29 ILE HG12 H 1.423 0.030 2 247 29 29 ILE HG13 H 1.251 0.030 2 248 29 29 ILE HG2 H 0.854 0.030 1 249 29 29 ILE C C 178.950 0.300 1 250 29 29 ILE CA C 64.045 0.300 1 251 29 29 ILE CB C 37.111 0.300 1 252 29 29 ILE CD1 C 11.465 0.300 1 253 29 29 ILE CG1 C 28.379 0.300 1 254 29 29 ILE CG2 C 17.218 0.300 1 255 29 29 ILE N N 119.096 0.300 1 256 30 30 LYS H H 7.467 0.030 1 257 30 30 LYS HA H 3.940 0.030 1 258 30 30 LYS HB2 H 1.802 0.030 1 259 30 30 LYS HB3 H 1.802 0.030 1 260 30 30 LYS HD2 H 1.684 0.030 1 261 30 30 LYS HD3 H 1.684 0.030 1 262 30 30 LYS HE2 H 2.957 0.030 1 263 30 30 LYS HE3 H 2.957 0.030 1 264 30 30 LYS HG2 H 1.398 0.030 2 265 30 30 LYS HG3 H 1.554 0.030 2 266 30 30 LYS C C 179.005 0.300 1 267 30 30 LYS CA C 59.715 0.300 1 268 30 30 LYS CB C 32.861 0.300 1 269 30 30 LYS CD C 29.520 0.300 1 270 30 30 LYS CE C 42.132 0.300 1 271 30 30 LYS CG C 25.293 0.300 1 272 30 30 LYS N N 118.453 0.300 1 273 31 31 HIS H H 7.464 0.030 1 274 31 31 HIS HA H 4.199 0.030 1 275 31 31 HIS HB2 H 3.206 0.030 2 276 31 31 HIS HB3 H 3.043 0.030 2 277 31 31 HIS HD2 H 6.958 0.030 1 278 31 31 HIS HE1 H 8.021 0.030 1 279 31 31 HIS C C 176.062 0.300 1 280 31 31 HIS CA C 59.061 0.300 1 281 31 31 HIS CB C 28.682 0.300 1 282 31 31 HIS CD2 C 127.297 0.300 1 283 31 31 HIS CE1 C 139.660 0.300 1 284 31 31 HIS N N 119.137 0.300 1 285 32 32 GLN H H 8.313 0.030 1 286 32 32 GLN HA H 3.636 0.030 1 287 32 32 GLN HB2 H 2.198 0.030 2 288 32 32 GLN HB3 H 2.313 0.030 2 289 32 32 GLN HE21 H 6.951 0.030 2 290 32 32 GLN HE22 H 7.611 0.030 2 291 32 32 GLN HG2 H 2.855 0.030 1 292 32 32 GLN HG3 H 2.855 0.030 1 293 32 32 GLN C C 177.495 0.300 1 294 32 32 GLN CA C 59.301 0.300 1 295 32 32 GLN CB C 28.258 0.300 1 296 32 32 GLN CG C 35.572 0.300 1 297 32 32 GLN N N 115.236 0.300 1 298 32 32 GLN NE2 N 111.898 0.300 1 299 33 33 LYS H H 7.103 0.030 1 300 33 33 LYS HA H 4.059 0.030 1 301 33 33 LYS HB2 H 1.859 0.030 2 302 33 33 LYS HB3 H 1.807 0.030 2 303 33 33 LYS HD2 H 1.688 0.030 1 304 33 33 LYS HD3 H 1.688 0.030 1 305 33 33 LYS HE2 H 2.954 0.030 1 306 33 33 LYS HE3 H 2.954 0.030 1 307 33 33 LYS HG2 H 1.488 0.030 2 308 33 33 LYS HG3 H 1.635 0.030 2 309 33 33 LYS C C 178.648 0.300 1 310 33 33 LYS CA C 58.465 0.300 1 311 33 33 LYS CB C 32.331 0.300 1 312 33 33 LYS CD C 29.087 0.300 1 313 33 33 LYS CE C 42.034 0.300 1 314 33 33 LYS CG C 25.149 0.300 1 315 33 33 LYS N N 117.797 0.300 1 316 34 34 ILE H H 7.798 0.030 1 317 34 34 ILE HA H 3.989 0.030 1 318 34 34 ILE HB H 1.724 0.030 1 319 34 34 ILE HD1 H 0.697 0.030 1 320 34 34 ILE HG12 H 0.931 0.030 2 321 34 34 ILE HG13 H 0.693 0.030 2 322 34 34 ILE HG2 H 0.573 0.030 1 323 34 34 ILE C C 177.129 0.300 1 324 34 34 ILE CA C 62.910 0.300 1 325 34 34 ILE CB C 37.770 0.300 1 326 34 34 ILE CD1 C 14.506 0.300 1 327 34 34 ILE CG1 C 26.458 0.300 1 328 34 34 ILE CG2 C 16.465 0.300 1 329 34 34 ILE N N 115.649 0.300 1 330 35 35 HIS H H 7.186 0.030 1 331 35 35 HIS HA H 4.852 0.030 1 332 35 35 HIS HB2 H 3.338 0.030 2 333 35 35 HIS HB3 H 3.176 0.030 2 334 35 35 HIS HD2 H 6.735 0.030 1 335 35 35 HIS HE1 H 8.066 0.030 1 336 35 35 HIS C C 175.179 0.300 1 337 35 35 HIS CA C 54.743 0.300 1 338 35 35 HIS CB C 28.442 0.300 1 339 35 35 HIS CD2 C 127.664 0.300 1 340 35 35 HIS CE1 C 140.029 0.300 1 341 35 35 HIS N N 117.930 0.300 1 342 36 36 THR H H 7.678 0.030 1 343 36 36 THR HA H 4.295 0.030 1 344 36 36 THR HB H 4.229 0.030 1 345 36 36 THR HG2 H 1.229 0.030 1 346 36 36 THR C C 174.443 0.300 1 347 36 36 THR CA C 62.490 0.300 1 348 36 36 THR CB C 69.844 0.300 1 349 36 36 THR CG2 C 21.691 0.300 1 350 36 36 THR N N 114.109 0.300 1 351 37 37 LYS H H 8.303 0.030 1 352 37 37 LYS HA H 4.338 0.030 1 353 37 37 LYS HB2 H 1.771 0.030 2 354 37 37 LYS HB3 H 1.848 0.030 2 355 37 37 LYS HD2 H 1.676 0.030 1 356 37 37 LYS HD3 H 1.676 0.030 1 357 37 37 LYS HE2 H 3.210 0.030 1 358 37 37 LYS HE3 H 3.210 0.030 1 359 37 37 LYS HG2 H 1.456 0.030 1 360 37 37 LYS HG3 H 1.456 0.030 1 361 37 37 LYS C C 176.406 0.300 1 362 37 37 LYS CA C 56.291 0.300 1 363 37 37 LYS CB C 32.858 0.300 1 364 37 37 LYS CD C 29.054 0.300 1 365 37 37 LYS CE C 43.334 0.300 1 366 37 37 LYS CG C 24.719 0.300 1 367 37 37 LYS N N 123.906 0.300 1 368 38 38 GLN H H 8.355 0.030 1 369 38 38 GLN HA H 4.306 0.030 1 370 38 38 GLN HB2 H 1.959 0.030 2 371 38 38 GLN HB3 H 2.070 0.030 2 372 38 38 GLN HE21 H 7.548 0.030 2 373 38 38 GLN HE22 H 6.878 0.030 2 374 38 38 GLN HG2 H 2.366 0.030 1 375 38 38 GLN HG3 H 2.366 0.030 1 376 38 38 GLN C C 175.669 0.300 1 377 38 38 GLN CA C 55.655 0.300 1 378 38 38 GLN CB C 29.589 0.300 1 379 38 38 GLN CG C 33.809 0.300 1 380 38 38 GLN N N 121.721 0.300 1 381 38 38 GLN NE2 N 112.870 0.300 1 382 39 39 LYS H H 8.423 0.030 1 383 39 39 LYS HA H 4.592 0.030 1 384 39 39 LYS HB2 H 1.740 0.030 2 385 39 39 LYS HB3 H 1.825 0.030 2 386 39 39 LYS HD2 H 1.683 0.030 1 387 39 39 LYS HD3 H 1.683 0.030 1 388 39 39 LYS HE2 H 3.003 0.030 1 389 39 39 LYS HE3 H 3.003 0.030 1 390 39 39 LYS HG2 H 1.477 0.030 1 391 39 39 LYS HG3 H 1.477 0.030 1 392 39 39 LYS C C 174.502 0.300 1 393 39 39 LYS CA C 54.353 0.300 1 394 39 39 LYS CB C 32.489 0.300 1 395 39 39 LYS CD C 29.353 0.300 1 396 39 39 LYS CE C 42.161 0.300 1 397 39 39 LYS CG C 24.585 0.300 1 398 39 39 LYS N N 124.462 0.300 1 399 40 40 PRO HA H 4.476 0.030 1 400 40 40 PRO HB2 H 2.322 0.030 2 401 40 40 PRO HB3 H 1.942 0.030 2 402 40 40 PRO HD2 H 3.654 0.030 2 403 40 40 PRO HD3 H 3.843 0.030 2 404 40 40 PRO HG2 H 2.022 0.030 1 405 40 40 PRO HG3 H 2.022 0.030 1 406 40 40 PRO C C 176.921 0.300 1 407 40 40 PRO CA C 63.271 0.300 1 408 40 40 PRO CB C 32.158 0.300 1 409 40 40 PRO CD C 50.733 0.300 1 410 40 40 PRO CG C 27.408 0.300 1 411 41 41 SER H H 8.471 0.030 1 412 41 41 SER C C 174.579 0.300 1 413 41 41 SER CA C 58.328 0.300 1 414 41 41 SER CB C 64.178 0.300 1 415 41 41 SER N N 116.494 0.300 1 416 42 42 GLY HA2 H 4.152 0.030 2 417 42 42 GLY HA3 H 4.118 0.030 2 418 42 42 GLY CA C 44.667 0.300 1 419 43 43 PRO HA H 4.448 0.030 1 420 43 43 PRO HB2 H 2.288 0.030 2 421 43 43 PRO HB3 H 1.985 0.030 2 422 43 43 PRO HD2 H 3.628 0.030 1 423 43 43 PRO HD3 H 3.628 0.030 1 424 43 43 PRO HG2 H 2.019 0.030 1 425 43 43 PRO HG3 H 2.019 0.030 1 426 43 43 PRO CA C 63.201 0.300 1 427 43 43 PRO CB C 32.199 0.300 1 428 43 43 PRO CD C 49.802 0.300 1 429 43 43 PRO CG C 27.156 0.300 1 430 45 45 SER HA H 4.490 0.030 1 431 45 45 SER HB2 H 3.863 0.030 1 432 45 45 SER HB3 H 3.863 0.030 1 433 45 45 SER C C 173.891 0.300 1 434 45 45 SER CA C 58.350 0.300 1 435 45 45 SER CB C 64.040 0.300 1 436 46 46 GLY H H 8.052 0.030 1 437 46 46 GLY HA2 H 3.797 0.030 2 438 46 46 GLY HA3 H 3.748 0.030 2 439 46 46 GLY C C 178.964 0.300 1 440 46 46 GLY CA C 46.209 0.300 1 441 46 46 GLY N N 116.874 0.300 1 stop_ save_