data_11238 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2-type zinc finger domain (699-729) from zinc finger protein 473 ; _BMRB_accession_number 11238 _BMRB_flat_file_name bmr11238.str _Entry_type original _Submission_date 2010-07-23 _Accession_date 2010-07-23 _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 Qin X. . . 2 Hayashi F. . . 3 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" 224 "13C chemical shifts" 158 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2-type zinc finger domain (699-729) from zinc finger protein 473 ; _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 Qin X. . . 2 Hayashi F. . . 3 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 473' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2H2-type zinc finger' $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 'C2H2-type zinc finger' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSSGSSGKKPLVCNECGKTF RQSSCLSKHQRIHSGEKPSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 LYS 10 PRO 11 LEU 12 VAL 13 CYS 14 ASN 15 GLU 16 CYS 17 GLY 18 LYS 19 THR 20 PHE 21 ARG 22 GLN 23 SER 24 SER 25 CYS 26 LEU 27 SER 28 LYS 29 HIS 30 GLN 31 ARG 32 ILE 33 HIS 34 SER 35 GLY 36 GLU 37 LYS 38 PRO 39 SER 40 GLY 41 PRO 42 SER 43 SER 44 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 PDB 2YRH "Solution Structure Of The C2h2-Type Zinc Finger Domain (699- 729) From Zinc Finger Protein 473" 100.00 44 100.00 100.00 1.45e-20 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' 'E. coli' Escherichia coli . P070115-32 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.06mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM ZnCl2, 1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.06 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . 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 refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 293 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 $VNMR $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 'C2H2-type zinc finger' _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 3.976 0.030 1 2 7 7 GLY HA3 H 3.976 0.030 1 3 7 7 GLY C C 174.086 0.300 1 4 7 7 GLY CA C 45.449 0.300 1 5 8 8 LYS H H 8.160 0.030 1 6 8 8 LYS HA H 4.340 0.030 1 7 8 8 LYS HB2 H 1.837 0.030 2 8 8 8 LYS HB3 H 1.732 0.030 2 9 8 8 LYS HD2 H 1.680 0.030 1 10 8 8 LYS HD3 H 1.680 0.030 1 11 8 8 LYS HE2 H 3.000 0.030 1 12 8 8 LYS HE3 H 3.000 0.030 1 13 8 8 LYS HG2 H 1.402 0.030 2 14 8 8 LYS HG3 H 1.452 0.030 2 15 8 8 LYS C C 176.288 0.300 1 16 8 8 LYS CA C 56.062 0.300 1 17 8 8 LYS CB C 33.084 0.300 1 18 8 8 LYS CD C 29.099 0.300 1 19 8 8 LYS CE C 42.151 0.300 1 20 8 8 LYS CG C 24.778 0.300 1 21 8 8 LYS N N 120.873 0.300 1 22 9 9 LYS H H 8.374 0.030 1 23 9 9 LYS HA H 4.588 0.030 1 24 9 9 LYS HB2 H 1.724 0.030 2 25 9 9 LYS HB3 H 1.830 0.030 2 26 9 9 LYS HD2 H 1.688 0.030 1 27 9 9 LYS HD3 H 1.688 0.030 1 28 9 9 LYS HE2 H 3.006 0.030 1 29 9 9 LYS HE3 H 3.006 0.030 1 30 9 9 LYS HG2 H 1.496 0.030 2 31 9 9 LYS HG3 H 1.451 0.030 2 32 9 9 LYS C C 174.569 0.300 1 33 9 9 LYS CA C 54.234 0.300 1 34 9 9 LYS CB C 32.443 0.300 1 35 9 9 LYS CD C 29.206 0.300 1 36 9 9 LYS CE C 42.216 0.300 1 37 9 9 LYS CG C 24.673 0.300 1 38 9 9 LYS N N 124.269 0.300 1 39 10 10 PRO HA H 4.458 0.030 1 40 10 10 PRO HB2 H 2.210 0.030 2 41 10 10 PRO HB3 H 1.839 0.030 2 42 10 10 PRO HD2 H 3.653 0.030 2 43 10 10 PRO HD3 H 3.815 0.030 2 44 10 10 PRO HG2 H 1.982 0.030 1 45 10 10 PRO HG3 H 1.982 0.030 1 46 10 10 PRO C C 176.338 0.300 1 47 10 10 PRO CA C 63.087 0.300 1 48 10 10 PRO CB C 32.346 0.300 1 49 10 10 PRO CD C 50.609 0.300 1 50 10 10 PRO CG C 27.256 0.300 1 51 11 11 LEU H H 8.512 0.030 1 52 11 11 LEU HA H 4.490 0.030 1 53 11 11 LEU HB2 H 1.465 0.030 2 54 11 11 LEU HB3 H 1.835 0.030 2 55 11 11 LEU HD1 H 0.739 0.030 1 56 11 11 LEU HD2 H 0.801 0.030 1 57 11 11 LEU HG H 1.663 0.030 1 58 11 11 LEU C C 175.430 0.300 1 59 11 11 LEU CA C 54.146 0.300 1 60 11 11 LEU CB C 42.268 0.300 1 61 11 11 LEU CD1 C 25.461 0.300 2 62 11 11 LEU CD2 C 23.275 0.300 2 63 11 11 LEU CG C 26.837 0.300 1 64 11 11 LEU N N 122.431 0.300 1 65 12 12 VAL H H 8.033 0.030 1 66 12 12 VAL HA H 4.715 0.030 1 67 12 12 VAL HB H 1.807 0.030 1 68 12 12 VAL HG1 H 0.811 0.030 1 69 12 12 VAL HG2 H 0.749 0.030 1 70 12 12 VAL C C 175.229 0.300 1 71 12 12 VAL CA C 60.141 0.300 1 72 12 12 VAL CB C 35.388 0.300 1 73 12 12 VAL CG1 C 21.287 0.300 2 74 12 12 VAL CG2 C 20.413 0.300 2 75 12 12 VAL N N 120.938 0.300 1 76 13 13 CYS H H 9.064 0.030 1 77 13 13 CYS HA H 4.546 0.030 1 78 13 13 CYS HB2 H 3.376 0.030 2 79 13 13 CYS HB3 H 2.844 0.030 2 80 13 13 CYS C C 176.859 0.300 1 81 13 13 CYS CA C 59.260 0.300 1 82 13 13 CYS CB C 29.362 0.300 1 83 13 13 CYS N N 127.466 0.300 1 84 14 14 ASN H H 9.355 0.030 1 85 14 14 ASN HA H 4.486 0.030 1 86 14 14 ASN HB2 H 2.866 0.030 1 87 14 14 ASN HB3 H 2.866 0.030 1 88 14 14 ASN HD21 H 7.688 0.030 2 89 14 14 ASN HD22 H 6.952 0.030 2 90 14 14 ASN C C 175.363 0.300 1 91 14 14 ASN CA C 55.732 0.300 1 92 14 14 ASN CB C 38.303 0.300 1 93 14 14 ASN N N 130.570 0.300 1 94 14 14 ASN ND2 N 113.333 0.300 1 95 15 15 GLU H H 8.616 0.030 1 96 15 15 GLU HA H 4.216 0.030 1 97 15 15 GLU HB2 H 1.302 0.030 1 98 15 15 GLU HB3 H 1.302 0.030 1 99 15 15 GLU HG2 H 1.804 0.030 2 100 15 15 GLU HG3 H 1.903 0.030 2 101 15 15 GLU C C 177.162 0.300 1 102 15 15 GLU CA C 58.296 0.300 1 103 15 15 GLU CB C 29.417 0.300 1 104 15 15 GLU CG C 35.786 0.300 1 105 15 15 GLU N N 120.165 0.300 1 106 16 16 CYS H H 7.842 0.030 1 107 16 16 CYS HA H 5.175 0.030 1 108 16 16 CYS HB2 H 2.875 0.030 2 109 16 16 CYS HB3 H 3.437 0.030 2 110 16 16 CYS C C 176.308 0.300 1 111 16 16 CYS CA C 58.401 0.300 1 112 16 16 CYS CB C 32.526 0.300 1 113 16 16 CYS N N 114.394 0.300 1 114 17 17 GLY H H 8.406 0.030 1 115 17 17 GLY HA2 H 3.729 0.030 2 116 17 17 GLY HA3 H 4.210 0.030 2 117 17 17 GLY C C 173.800 0.300 1 118 17 17 GLY CA C 46.078 0.300 1 119 17 17 GLY N N 113.714 0.300 1 120 18 18 LYS H H 7.967 0.030 1 121 18 18 LYS HA H 4.069 0.030 1 122 18 18 LYS HB2 H 1.287 0.030 2 123 18 18 LYS HB3 H 1.492 0.030 2 124 18 18 LYS HD2 H 1.533 0.030 2 125 18 18 LYS HD3 H 1.424 0.030 2 126 18 18 LYS HE2 H 2.902 0.030 2 127 18 18 LYS HE3 H 2.987 0.030 2 128 18 18 LYS HG2 H 1.102 0.030 2 129 18 18 LYS HG3 H 1.474 0.030 2 130 18 18 LYS C C 174.556 0.300 1 131 18 18 LYS CA C 58.069 0.300 1 132 18 18 LYS CB C 33.764 0.300 1 133 18 18 LYS CD C 29.224 0.300 1 134 18 18 LYS CE C 42.122 0.300 1 135 18 18 LYS CG C 26.293 0.300 1 136 18 18 LYS N N 122.862 0.300 1 137 19 19 THR H H 7.667 0.030 1 138 19 19 THR HA H 5.120 0.030 1 139 19 19 THR HB H 3.984 0.030 1 140 19 19 THR HG2 H 1.119 0.030 1 141 19 19 THR C C 173.716 0.300 1 142 19 19 THR CA C 60.263 0.300 1 143 19 19 THR CB C 71.063 0.300 1 144 19 19 THR CG2 C 21.739 0.300 1 145 19 19 THR N N 112.612 0.300 1 146 20 20 PHE H H 8.631 0.030 1 147 20 20 PHE HA H 4.636 0.030 1 148 20 20 PHE HB2 H 3.237 0.030 2 149 20 20 PHE HB3 H 2.403 0.030 2 150 20 20 PHE HD1 H 7.095 0.030 1 151 20 20 PHE HD2 H 7.095 0.030 1 152 20 20 PHE HE1 H 6.815 0.030 1 153 20 20 PHE HE2 H 6.815 0.030 1 154 20 20 PHE HZ H 6.076 0.030 1 155 20 20 PHE C C 174.688 0.300 1 156 20 20 PHE CA C 57.318 0.300 1 157 20 20 PHE CB C 44.171 0.300 1 158 20 20 PHE CD1 C 132.205 0.300 1 159 20 20 PHE CD2 C 132.205 0.300 1 160 20 20 PHE CE1 C 130.579 0.300 1 161 20 20 PHE CE2 C 130.579 0.300 1 162 20 20 PHE CZ C 128.453 0.300 1 163 20 20 PHE N N 118.724 0.300 1 164 21 21 ARG H H 7.385 0.030 1 165 21 21 ARG HA H 4.460 0.030 1 166 21 21 ARG HB2 H 1.899 0.030 2 167 21 21 ARG HB3 H 2.018 0.030 2 168 21 21 ARG HD2 H 3.232 0.030 1 169 21 21 ARG HD3 H 3.232 0.030 1 170 21 21 ARG HG2 H 1.756 0.030 2 171 21 21 ARG HG3 H 1.681 0.030 2 172 21 21 ARG C C 176.456 0.300 1 173 21 21 ARG CA C 56.953 0.300 1 174 21 21 ARG CB C 31.440 0.300 1 175 21 21 ARG CD C 43.108 0.300 1 176 21 21 ARG CG C 27.718 0.300 1 177 22 22 GLN H H 7.619 0.030 1 178 22 22 GLN HA H 4.847 0.030 1 179 22 22 GLN HB2 H 2.378 0.030 1 180 22 22 GLN HB3 H 2.378 0.030 1 181 22 22 GLN HE21 H 6.966 0.030 2 182 22 22 GLN HE22 H 7.638 0.030 2 183 22 22 GLN HG2 H 2.468 0.030 1 184 22 22 GLN HG3 H 2.468 0.030 1 185 22 22 GLN C C 176.646 0.300 1 186 22 22 GLN CA C 54.235 0.300 1 187 22 22 GLN CB C 31.951 0.300 1 188 22 22 GLN CG C 33.797 0.300 1 189 22 22 GLN N N 114.478 0.300 1 190 22 22 GLN NE2 N 112.740 0.300 1 191 23 23 SER HA H 3.941 0.030 1 192 23 23 SER HB2 H 3.964 0.030 1 193 23 23 SER HB3 H 3.964 0.030 1 194 23 23 SER CA C 62.061 0.300 1 195 23 23 SER CB C 62.340 0.300 1 196 24 24 SER HA H 4.197 0.030 1 197 24 24 SER HB2 H 3.950 0.030 1 198 24 24 SER HB3 H 3.950 0.030 1 199 24 24 SER C C 177.280 0.300 1 200 24 24 SER CA C 61.057 0.300 1 201 24 24 SER CB C 61.548 0.300 1 202 25 25 CYS H H 6.981 0.030 1 203 25 25 CYS HA H 4.053 0.030 1 204 25 25 CYS HB2 H 3.241 0.030 2 205 25 25 CYS HB3 H 3.142 0.030 2 206 25 25 CYS C C 177.986 0.300 1 207 25 25 CYS CA C 62.844 0.300 1 208 25 25 CYS CB C 28.503 0.300 1 209 25 25 CYS N N 122.286 0.300 1 210 26 26 LEU H H 7.159 0.030 1 211 26 26 LEU HA H 2.936 0.030 1 212 26 26 LEU HB2 H 1.897 0.030 2 213 26 26 LEU HB3 H 0.979 0.030 2 214 26 26 LEU HD1 H 0.878 0.030 1 215 26 26 LEU HD2 H 0.804 0.030 1 216 26 26 LEU HG H 1.418 0.030 1 217 26 26 LEU C C 177.650 0.300 1 218 26 26 LEU CA C 57.796 0.300 1 219 26 26 LEU CB C 40.544 0.300 1 220 26 26 LEU CD1 C 26.652 0.300 2 221 26 26 LEU CD2 C 22.977 0.300 2 222 26 26 LEU CG C 27.315 0.300 1 223 26 26 LEU N N 121.945 0.300 1 224 27 27 SER H H 8.336 0.030 1 225 27 27 SER HA H 4.231 0.030 1 226 27 27 SER HB2 H 3.898 0.030 1 227 27 27 SER HB3 H 3.898 0.030 1 228 27 27 SER C C 177.364 0.300 1 229 27 27 SER CA C 61.729 0.300 1 230 27 27 SER CB C 62.399 0.300 1 231 27 27 SER N N 114.474 0.300 1 232 28 28 LYS H H 7.587 0.030 1 233 28 28 LYS HA H 3.965 0.030 1 234 28 28 LYS HB2 H 1.853 0.030 1 235 28 28 LYS HB3 H 1.853 0.030 1 236 28 28 LYS HD2 H 1.704 0.030 1 237 28 28 LYS HD3 H 1.704 0.030 1 238 28 28 LYS HE2 H 2.970 0.030 1 239 28 28 LYS HE3 H 2.970 0.030 1 240 28 28 LYS HG2 H 1.415 0.030 2 241 28 28 LYS HG3 H 1.552 0.030 2 242 28 28 LYS C C 179.095 0.300 1 243 28 28 LYS CA C 59.497 0.300 1 244 28 28 LYS CB C 32.521 0.300 1 245 28 28 LYS CD C 29.436 0.300 1 246 28 28 LYS CE C 42.125 0.300 1 247 28 28 LYS CG C 25.267 0.300 1 248 28 28 LYS N N 120.596 0.300 1 249 29 29 HIS H H 7.683 0.030 1 250 29 29 HIS HA H 4.207 0.030 1 251 29 29 HIS HB2 H 3.108 0.030 2 252 29 29 HIS HB3 H 2.984 0.030 2 253 29 29 HIS HD2 H 6.890 0.030 1 254 29 29 HIS HE1 H 8.043 0.030 1 255 29 29 HIS C C 176.321 0.300 1 256 29 29 HIS CA C 59.072 0.300 1 257 29 29 HIS CB C 28.478 0.300 1 258 29 29 HIS CD2 C 127.366 0.300 1 259 29 29 HIS CE1 C 139.326 0.300 1 260 29 29 HIS N N 119.105 0.300 1 261 30 30 GLN H H 8.319 0.030 1 262 30 30 GLN HA H 3.705 0.030 1 263 30 30 GLN HB2 H 2.196 0.030 2 264 30 30 GLN HB3 H 2.291 0.030 2 265 30 30 GLN HE21 H 7.035 0.030 2 266 30 30 GLN HE22 H 7.591 0.030 2 267 30 30 GLN HG2 H 2.779 0.030 1 268 30 30 GLN HG3 H 2.779 0.030 1 269 30 30 GLN C C 177.784 0.300 1 270 30 30 GLN CA C 59.323 0.300 1 271 30 30 GLN CB C 28.217 0.300 1 272 30 30 GLN CG C 35.236 0.300 1 273 30 30 GLN N N 115.397 0.300 1 274 30 30 GLN NE2 N 112.699 0.300 1 275 31 31 ARG H H 7.202 0.030 1 276 31 31 ARG HA H 4.119 0.030 1 277 31 31 ARG HB2 H 1.830 0.030 2 278 31 31 ARG HB3 H 1.904 0.030 2 279 31 31 ARG HD2 H 3.213 0.030 1 280 31 31 ARG HD3 H 3.213 0.030 1 281 31 31 ARG HG2 H 1.702 0.030 2 282 31 31 ARG HG3 H 1.848 0.030 2 283 31 31 ARG C C 178.776 0.300 1 284 31 31 ARG CA C 58.451 0.300 1 285 31 31 ARG CB C 29.887 0.300 1 286 31 31 ARG CD C 43.334 0.300 1 287 31 31 ARG CG C 27.290 0.300 1 288 31 31 ARG N N 117.826 0.300 1 289 32 32 ILE H H 7.820 0.030 1 290 32 32 ILE HA H 3.956 0.030 1 291 32 32 ILE HB H 1.678 0.030 1 292 32 32 ILE HD1 H 0.713 0.030 1 293 32 32 ILE HG12 H 0.951 0.030 2 294 32 32 ILE HG13 H 0.837 0.030 2 295 32 32 ILE HG2 H 0.589 0.030 1 296 32 32 ILE C C 177.633 0.300 1 297 32 32 ILE CA C 63.153 0.300 1 298 32 32 ILE CB C 37.494 0.300 1 299 32 32 ILE CD1 C 14.149 0.300 1 300 32 32 ILE CG1 C 26.828 0.300 1 301 32 32 ILE CG2 C 16.462 0.300 1 302 32 32 ILE N N 116.894 0.300 1 303 33 33 HIS H H 7.105 0.030 1 304 33 33 HIS HA H 4.836 0.030 1 305 33 33 HIS HB2 H 3.349 0.030 2 306 33 33 HIS HB3 H 3.180 0.030 2 307 33 33 HIS HD2 H 6.721 0.030 1 308 33 33 HIS HE1 H 8.056 0.030 1 309 33 33 HIS C C 175.716 0.300 1 310 33 33 HIS CA C 55.229 0.300 1 311 33 33 HIS CB C 28.494 0.300 1 312 33 33 HIS CD2 C 127.749 0.300 1 313 33 33 HIS CE1 C 139.861 0.300 1 314 33 33 HIS N N 117.486 0.300 1 315 34 34 SER H H 7.804 0.030 1 316 34 34 SER HA H 4.454 0.030 1 317 34 34 SER HB2 H 3.969 0.030 2 318 34 34 SER HB3 H 3.912 0.030 2 319 34 34 SER C C 175.161 0.300 1 320 34 34 SER CA C 59.147 0.300 1 321 34 34 SER CB C 63.868 0.300 1 322 34 34 SER N N 114.505 0.300 1 323 35 35 GLY H H 8.254 0.030 1 324 35 35 GLY HA2 H 3.989 0.030 1 325 35 35 GLY HA3 H 3.989 0.030 1 326 35 35 GLY C C 173.985 0.300 1 327 35 35 GLY CA C 45.314 0.300 1 328 35 35 GLY N N 110.656 0.300 1 329 36 36 GLU H H 8.096 0.030 1 330 36 36 GLU HA H 4.258 0.030 1 331 36 36 GLU HB2 H 2.000 0.030 2 332 36 36 GLU HB3 H 1.909 0.030 2 333 36 36 GLU HG2 H 2.216 0.030 2 334 36 36 GLU HG3 H 2.278 0.030 2 335 36 36 GLU C C 176.523 0.300 1 336 36 36 GLU CA C 56.370 0.300 1 337 36 36 GLU CB C 30.453 0.300 1 338 36 36 GLU CG C 36.239 0.300 1 339 36 36 GLU N N 120.526 0.300 1 340 37 37 LYS H H 8.414 0.030 1 341 37 37 LYS HA H 4.611 0.030 1 342 37 37 LYS HB2 H 1.816 0.030 2 343 37 37 LYS HB3 H 1.733 0.030 2 344 37 37 LYS HD2 H 1.688 0.030 1 345 37 37 LYS HD3 H 1.688 0.030 1 346 37 37 LYS HE2 H 3.008 0.030 1 347 37 37 LYS HE3 H 3.008 0.030 1 348 37 37 LYS HG2 H 1.493 0.030 1 349 37 37 LYS HG3 H 1.493 0.030 1 350 37 37 LYS C C 174.519 0.300 1 351 37 37 LYS CA C 54.087 0.300 1 352 37 37 LYS CB C 32.376 0.300 1 353 37 37 LYS CD C 29.130 0.300 1 354 37 37 LYS CE C 42.191 0.300 1 355 37 37 LYS CG C 24.593 0.300 1 356 37 37 LYS N N 123.877 0.300 1 357 38 38 PRO HA H 4.470 0.030 1 358 38 38 PRO HB2 H 1.939 0.030 2 359 38 38 PRO HB3 H 2.316 0.030 2 360 38 38 PRO HD2 H 3.654 0.030 2 361 38 38 PRO HD3 H 3.814 0.030 2 362 38 38 PRO HG2 H 2.029 0.030 2 363 38 38 PRO HG3 H 1.981 0.030 2 364 38 38 PRO C C 177.044 0.300 1 365 38 38 PRO CA C 63.184 0.300 1 366 38 38 PRO CB C 32.185 0.300 1 367 38 38 PRO CD C 50.619 0.300 1 368 38 38 PRO CG C 27.253 0.300 1 369 39 39 SER H H 8.511 0.030 1 370 39 39 SER HA H 4.469 0.030 1 371 39 39 SER HB2 H 3.900 0.030 1 372 39 39 SER HB3 H 3.900 0.030 1 373 39 39 SER C C 174.691 0.300 1 374 39 39 SER CA C 58.312 0.300 1 375 39 39 SER CB C 64.115 0.300 1 376 39 39 SER N N 116.567 0.300 1 377 40 40 GLY H H 8.254 0.030 1 378 40 40 GLY HA2 H 4.160 0.030 2 379 40 40 GLY HA3 H 4.114 0.030 2 380 40 40 GLY C C 171.767 0.300 1 381 40 40 GLY CA C 44.614 0.300 1 382 40 40 GLY N N 110.671 0.300 1 383 41 41 PRO HA H 4.494 0.030 1 384 41 41 PRO HB2 H 1.974 0.030 2 385 41 41 PRO HB3 H 2.306 0.030 2 386 41 41 PRO HD2 H 3.629 0.030 1 387 41 41 PRO HD3 H 3.629 0.030 1 388 41 41 PRO HG2 H 2.022 0.030 1 389 41 41 PRO HG3 H 2.022 0.030 1 390 41 41 PRO C C 177.414 0.300 1 391 41 41 PRO CA C 63.277 0.300 1 392 41 41 PRO CB C 32.156 0.300 1 393 41 41 PRO CD C 49.752 0.300 1 394 41 41 PRO CG C 27.180 0.300 1 395 42 42 SER H H 8.562 0.030 1 396 42 42 SER HA H 4.514 0.030 1 397 42 42 SER HB2 H 3.919 0.030 1 398 42 42 SER HB3 H 3.919 0.030 1 399 42 42 SER C C 174.688 0.300 1 400 42 42 SER CA C 58.355 0.300 1 401 42 42 SER CB C 63.842 0.300 1 402 42 42 SER N N 116.477 0.300 1 403 43 43 SER H H 8.352 0.030 1 404 43 43 SER HA H 4.505 0.030 1 405 43 43 SER HB2 H 3.903 0.030 1 406 43 43 SER HB3 H 3.903 0.030 1 407 43 43 SER C C 173.934 0.300 1 408 43 43 SER CA C 58.448 0.300 1 409 43 43 SER CB C 64.102 0.300 1 410 43 43 SER N N 117.885 0.300 1 411 44 44 GLY H H 8.077 0.030 1 412 44 44 GLY HA2 H 3.813 0.030 2 413 44 44 GLY HA3 H 3.762 0.030 2 414 44 44 GLY C C 179.043 0.300 1 415 44 44 GLY CA C 46.229 0.300 1 416 44 44 GLY N N 116.886 0.300 1 stop_ save_