data_11239 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2-type zinc finger domain (781-813) from zinc finger protein 473 ; _BMRB_accession_number 11239 _BMRB_flat_file_name bmr11239.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 Izumi K. . . 3 Yoshida M. . . 4 Hayashi F. . . 5 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" 227 "13C chemical shifts" 162 "15N chemical shifts" 38 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 (781-813) 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 Izumi K. . . 3 Yoshida M. . . 4 Hayashi F. . . 5 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 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYRCGECGK AFAQKANLTQHQRIHTGEKP 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 ARG 15 CYS 16 GLY 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ALA 24 GLN 25 LYS 26 ALA 27 ASN 28 LEU 29 THR 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 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 2YRJ "Solution Structure Of The C2h2-Type Zinc Finger Domain (781- 813) From Zinc Finger Protein 473" 100.00 46 100.00 100.00 3.22e-23 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P070115-35 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.08mM 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 1.08 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_Delta _Saveframe_category software _Name Delta _Version 4.3 loop_ _Vendor _Address _Electronic_address JEOL . . 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 JEOL _Model ECA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Delta $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 3.949 0.030 1 2 7 7 GLY HA3 H 3.949 0.030 1 3 7 7 GLY C C 171.937 0.300 1 4 7 7 GLY CA C 42.777 0.300 1 5 8 8 THR H H 8.041 0.030 1 6 8 8 THR HA H 4.264 0.030 1 7 8 8 THR HB H 4.195 0.030 1 8 8 8 THR HG2 H 1.096 0.030 1 9 8 8 THR C C 172.655 0.300 1 10 8 8 THR CA C 59.220 0.300 1 11 8 8 THR CB C 67.157 0.300 1 12 8 8 THR CG2 C 18.877 0.300 1 13 8 8 THR N N 112.799 0.300 1 14 9 9 GLY H H 8.333 0.030 1 15 9 9 GLY HA2 H 3.870 0.030 2 16 9 9 GLY HA3 H 3.937 0.030 2 17 9 9 GLY C C 171.468 0.300 1 18 9 9 GLY CA C 42.749 0.300 1 19 9 9 GLY N N 110.821 0.300 1 20 10 10 GLU H H 8.098 0.030 1 21 10 10 GLU HA H 4.086 0.030 1 22 10 10 GLU HB2 H 1.881 0.030 2 23 10 10 GLU HB3 H 1.806 0.030 2 24 10 10 GLU HG2 H 2.102 0.030 2 25 10 10 GLU HG3 H 2.144 0.030 2 26 10 10 GLU C C 173.618 0.300 1 27 10 10 GLU CA C 54.250 0.300 1 28 10 10 GLU CB C 27.784 0.300 1 29 10 10 GLU CG C 33.600 0.300 1 30 10 10 GLU N N 120.150 0.300 1 31 11 11 LYS H H 8.207 0.030 1 32 11 11 LYS HA H 4.401 0.030 1 33 11 11 LYS HB2 H 1.242 0.030 2 34 11 11 LYS HB3 H 1.471 0.030 2 35 11 11 LYS HD2 H 1.405 0.030 2 36 11 11 LYS HD3 H 1.361 0.030 2 37 11 11 LYS HE2 H 2.828 0.030 1 38 11 11 LYS HE3 H 2.828 0.030 1 39 11 11 LYS HG2 H 1.031 0.030 2 40 11 11 LYS HG3 H 1.242 0.030 2 41 11 11 LYS C C 171.901 0.300 1 42 11 11 LYS CA C 51.161 0.300 1 43 11 11 LYS CB C 30.660 0.300 1 44 11 11 LYS CD C 26.938 0.300 1 45 11 11 LYS CE C 39.668 0.300 1 46 11 11 LYS CG C 22.457 0.300 1 47 11 11 LYS N N 121.212 0.300 1 48 12 12 PRO HA H 4.160 0.030 1 49 12 12 PRO HB2 H 1.058 0.030 2 50 12 12 PRO HB3 H 1.906 0.030 2 51 12 12 PRO HD2 H 3.519 0.030 2 52 12 12 PRO HD3 H 3.549 0.030 2 53 12 12 PRO HG2 H 1.371 0.030 2 54 12 12 PRO HG3 H 1.677 0.030 2 55 12 12 PRO C C 173.981 0.300 1 56 12 12 PRO CA C 60.963 0.300 1 57 12 12 PRO CB C 29.698 0.300 1 58 12 12 PRO CD C 47.644 0.300 1 59 12 12 PRO CG C 23.825 0.300 1 60 13 13 TYR H H 7.671 0.030 1 61 13 13 TYR HA H 4.570 0.030 1 62 13 13 TYR HB2 H 2.762 0.030 2 63 13 13 TYR HB3 H 2.885 0.030 2 64 13 13 TYR HD1 H 6.915 0.030 1 65 13 13 TYR HD2 H 6.915 0.030 1 66 13 13 TYR HE1 H 6.814 0.030 1 67 13 13 TYR HE2 H 6.814 0.030 1 68 13 13 TYR C C 171.875 0.300 1 69 13 13 TYR CA C 54.822 0.300 1 70 13 13 TYR CB C 35.443 0.300 1 71 13 13 TYR CD1 C 130.555 0.300 1 72 13 13 TYR CD2 C 130.555 0.300 1 73 13 13 TYR CE1 C 115.846 0.300 1 74 13 13 TYR CE2 C 115.846 0.300 1 75 13 13 TYR N N 118.237 0.300 1 76 14 14 ARG H H 8.521 0.030 1 77 14 14 ARG HA H 4.911 0.030 1 78 14 14 ARG HB2 H 1.527 0.030 1 79 14 14 ARG HB3 H 1.527 0.030 1 80 14 14 ARG HD2 H 3.027 0.030 1 81 14 14 ARG HD3 H 3.027 0.030 1 82 14 14 ARG HG2 H 1.239 0.030 2 83 14 14 ARG HG3 H 1.272 0.030 2 84 14 14 ARG C C 172.519 0.300 1 85 14 14 ARG CA C 52.212 0.300 1 86 14 14 ARG CB C 30.383 0.300 1 87 14 14 ARG CD C 40.723 0.300 1 88 14 14 ARG CG C 24.962 0.300 1 89 14 14 ARG N N 124.740 0.300 1 90 15 15 CYS H H 9.200 0.030 1 91 15 15 CYS HA H 4.350 0.030 1 92 15 15 CYS HB2 H 2.790 0.030 2 93 15 15 CYS HB3 H 3.332 0.030 2 94 15 15 CYS C C 174.885 0.300 1 95 15 15 CYS CA C 57.148 0.300 1 96 15 15 CYS CB C 26.990 0.300 1 97 15 15 CYS N N 127.509 0.300 1 98 16 16 GLY H H 9.310 0.030 1 99 16 16 GLY HA2 H 3.866 0.030 2 100 16 16 GLY HA3 H 3.903 0.030 2 101 16 16 GLY C C 171.567 0.300 1 102 16 16 GLY CA C 44.067 0.300 1 103 16 16 GLY N N 120.502 0.300 1 104 17 17 GLU H H 8.536 0.030 1 105 17 17 GLU HA H 4.185 0.030 1 106 17 17 GLU HB2 H 1.245 0.030 1 107 17 17 GLU HB3 H 1.245 0.030 1 108 17 17 GLU HG2 H 1.788 0.030 2 109 17 17 GLU HG3 H 1.687 0.030 2 110 17 17 GLU C C 174.557 0.300 1 111 17 17 GLU CA C 55.353 0.300 1 112 17 17 GLU CB C 27.045 0.300 1 113 17 17 GLU CG C 33.091 0.300 1 114 17 17 GLU N N 121.265 0.300 1 115 18 18 CYS H H 7.807 0.030 1 116 18 18 CYS HA H 5.080 0.030 1 117 18 18 CYS HB2 H 2.765 0.030 2 118 18 18 CYS HB3 H 3.354 0.030 2 119 18 18 CYS C C 173.695 0.300 1 120 18 18 CYS CA C 55.666 0.300 1 121 18 18 CYS CB C 29.893 0.300 1 122 18 18 CYS N N 114.535 0.300 1 123 19 19 GLY H H 8.041 0.030 1 124 19 19 GLY HA2 H 3.694 0.030 2 125 19 19 GLY HA3 H 4.165 0.030 2 126 19 19 GLY C C 171.136 0.300 1 127 19 19 GLY CA C 43.518 0.300 1 128 19 19 GLY N N 113.308 0.300 1 129 20 20 LYS H H 7.907 0.030 1 130 20 20 LYS HA H 3.835 0.030 1 131 20 20 LYS HB2 H 1.090 0.030 2 132 20 20 LYS HB3 H 1.351 0.030 2 133 20 20 LYS HD2 H 1.325 0.030 2 134 20 20 LYS HD3 H 1.407 0.030 2 135 20 20 LYS HE2 H 2.795 0.030 2 136 20 20 LYS HE3 H 2.869 0.030 2 137 20 20 LYS HG2 H 1.264 0.030 2 138 20 20 LYS HG3 H 0.938 0.030 2 139 20 20 LYS C C 171.222 0.300 1 140 20 20 LYS CA C 55.743 0.300 1 141 20 20 LYS CB C 30.892 0.300 1 142 20 20 LYS CD C 26.627 0.300 1 143 20 20 LYS CE C 39.548 0.300 1 144 20 20 LYS CG C 23.504 0.300 1 145 20 20 LYS N N 123.428 0.300 1 146 21 21 ALA H H 7.742 0.030 1 147 21 21 ALA HA H 5.042 0.030 1 148 21 21 ALA HB H 1.112 0.030 1 149 21 21 ALA C C 173.452 0.300 1 150 21 21 ALA CA C 47.781 0.300 1 151 21 21 ALA CB C 19.532 0.300 1 152 21 21 ALA N N 124.609 0.300 1 153 22 22 PHE H H 8.650 0.030 1 154 22 22 PHE HA H 4.571 0.030 1 155 22 22 PHE HB2 H 2.580 0.030 2 156 22 22 PHE HB3 H 3.334 0.030 2 157 22 22 PHE HD1 H 7.186 0.030 1 158 22 22 PHE HD2 H 7.186 0.030 1 159 22 22 PHE HE1 H 6.771 0.030 1 160 22 22 PHE HE2 H 6.771 0.030 1 161 22 22 PHE HZ H 6.281 0.030 1 162 22 22 PHE C C 172.108 0.300 1 163 22 22 PHE CA C 54.750 0.300 1 164 22 22 PHE CB C 40.947 0.300 1 165 22 22 PHE CD1 C 129.746 0.300 1 166 22 22 PHE CD2 C 129.746 0.300 1 167 22 22 PHE CE1 C 128.082 0.300 1 168 22 22 PHE CE2 C 128.082 0.300 1 169 22 22 PHE CZ C 126.241 0.300 1 170 22 22 PHE N N 116.671 0.300 1 171 23 23 ALA H H 9.001 0.030 1 172 23 23 ALA HA H 4.537 0.030 1 173 23 23 ALA HB H 1.583 0.030 1 174 23 23 ALA C C 174.748 0.300 1 175 23 23 ALA CA C 51.424 0.300 1 176 23 23 ALA CB C 17.497 0.300 1 177 23 23 ALA N N 123.666 0.300 1 178 24 24 GLN H H 7.627 0.030 1 179 24 24 GLN HA H 4.745 0.030 1 180 24 24 GLN HB2 H 2.115 0.030 2 181 24 24 GLN HB3 H 1.926 0.030 2 182 24 24 GLN HE21 H 7.474 0.030 2 183 24 24 GLN HE22 H 6.815 0.030 2 184 24 24 GLN HG2 H 2.348 0.030 1 185 24 24 GLN HG3 H 2.348 0.030 1 186 24 24 GLN C C 173.572 0.300 1 187 24 24 GLN CA C 51.123 0.300 1 188 24 24 GLN CB C 28.354 0.300 1 189 24 24 GLN CG C 30.797 0.300 1 190 24 24 GLN N N 112.630 0.300 1 191 24 24 GLN NE2 N 112.040 0.300 1 192 25 25 LYS H H 8.399 0.030 1 193 25 25 LYS HA H 2.873 0.030 1 194 25 25 LYS HB2 H 1.339 0.030 2 195 25 25 LYS HB3 H 0.854 0.030 2 196 25 25 LYS HD2 H 1.457 0.030 2 197 25 25 LYS HD3 H 1.389 0.030 2 198 25 25 LYS HE2 H 2.777 0.030 1 199 25 25 LYS HE3 H 2.777 0.030 1 200 25 25 LYS HG2 H 1.031 0.030 2 201 25 25 LYS HG3 H 0.859 0.030 2 202 25 25 LYS C C 175.576 0.300 1 203 25 25 LYS CA C 56.992 0.300 1 204 25 25 LYS CB C 28.883 0.300 1 205 25 25 LYS CD C 26.422 0.300 1 206 25 25 LYS CE C 39.479 0.300 1 207 25 25 LYS CG C 22.252 0.300 1 208 25 25 LYS N N 127.980 0.300 1 209 26 26 ALA HA H 3.912 0.030 1 210 26 26 ALA HB H 1.222 0.030 1 211 26 26 ALA C C 177.367 0.300 1 212 26 26 ALA CA C 52.249 0.300 1 213 26 26 ALA CB C 15.522 0.300 1 214 27 27 ASN H H 6.912 0.030 1 215 27 27 ASN HA H 4.338 0.030 1 216 27 27 ASN HB2 H 2.760 0.030 2 217 27 27 ASN HB3 H 2.822 0.030 2 218 27 27 ASN HD21 H 7.062 0.030 2 219 27 27 ASN HD22 H 7.879 0.030 2 220 27 27 ASN C C 174.945 0.300 1 221 27 27 ASN CA C 52.537 0.300 1 222 27 27 ASN CB C 35.717 0.300 1 223 27 27 ASN N N 113.467 0.300 1 224 27 27 ASN ND2 N 112.420 0.300 1 225 28 28 LEU H H 6.937 0.030 1 226 28 28 LEU HA H 3.165 0.030 1 227 28 28 LEU HB2 H 1.971 0.030 2 228 28 28 LEU HB3 H 1.122 0.030 2 229 28 28 LEU HD1 H 0.879 0.030 1 230 28 28 LEU HD2 H 0.921 0.030 1 231 28 28 LEU HG H 1.391 0.030 1 232 28 28 LEU C C 174.933 0.300 1 233 28 28 LEU CA C 55.410 0.300 1 234 28 28 LEU CB C 37.114 0.300 1 235 28 28 LEU CD1 C 23.892 0.300 2 236 28 28 LEU CD2 C 20.170 0.300 2 237 28 28 LEU CG C 24.918 0.300 1 238 28 28 LEU N N 123.256 0.300 1 239 29 29 THR H H 8.359 0.030 1 240 29 29 THR HA H 3.839 0.030 1 241 29 29 THR HB H 3.995 0.030 1 242 29 29 THR HG2 H 1.078 0.030 1 243 29 29 THR C C 174.364 0.300 1 244 29 29 THR CA C 63.683 0.300 1 245 29 29 THR CB C 65.714 0.300 1 246 29 29 THR CG2 C 19.487 0.300 1 247 29 29 THR N N 116.236 0.300 1 248 30 30 GLN H H 7.414 0.030 1 249 30 30 GLN HA H 3.860 0.030 1 250 30 30 GLN HB2 H 1.948 0.030 1 251 30 30 GLN HB3 H 1.948 0.030 1 252 30 30 GLN HE21 H 7.322 0.030 2 253 30 30 GLN HE22 H 6.747 0.030 2 254 30 30 GLN HG2 H 2.322 0.030 2 255 30 30 GLN HG3 H 2.299 0.030 2 256 30 30 GLN C C 175.744 0.300 1 257 30 30 GLN CA C 56.158 0.300 1 258 30 30 GLN CB C 25.909 0.300 1 259 30 30 GLN CG C 30.873 0.300 1 260 30 30 GLN N N 118.935 0.300 1 261 30 30 GLN NE2 N 111.809 0.300 1 262 31 31 HIS H H 7.471 0.030 1 263 31 31 HIS HA H 4.106 0.030 1 264 31 31 HIS HB2 H 2.899 0.030 2 265 31 31 HIS HB3 H 3.130 0.030 2 266 31 31 HIS HD2 H 6.859 0.030 1 267 31 31 HIS HE1 H 7.950 0.030 1 268 31 31 HIS C C 173.588 0.300 1 269 31 31 HIS CA C 56.542 0.300 1 270 31 31 HIS CB C 25.942 0.300 1 271 31 31 HIS CD2 C 124.487 0.300 1 272 31 31 HIS CE1 C 137.136 0.300 1 273 31 31 HIS N N 119.621 0.300 1 274 32 32 GLN H H 8.279 0.030 1 275 32 32 GLN HA H 3.585 0.030 1 276 32 32 GLN HB2 H 2.124 0.030 2 277 32 32 GLN HB3 H 2.231 0.030 2 278 32 32 GLN HE21 H 6.947 0.030 2 279 32 32 GLN HE22 H 7.564 0.030 2 280 32 32 GLN HG2 H 2.727 0.030 1 281 32 32 GLN HG3 H 2.727 0.030 1 282 32 32 GLN C C 174.719 0.300 1 283 32 32 GLN CA C 56.776 0.300 1 284 32 32 GLN CB C 25.745 0.300 1 285 32 32 GLN CG C 32.983 0.300 1 286 32 32 GLN N N 115.138 0.300 1 287 32 32 GLN NE2 N 112.501 0.300 1 288 33 33 ARG H H 7.023 0.030 1 289 33 33 ARG HA H 4.038 0.030 1 290 33 33 ARG HB2 H 1.690 0.030 2 291 33 33 ARG HB3 H 1.797 0.030 2 292 33 33 ARG HD2 H 3.103 0.030 1 293 33 33 ARG HD3 H 3.103 0.030 1 294 33 33 ARG HG2 H 1.571 0.030 2 295 33 33 ARG HG3 H 1.742 0.030 2 296 33 33 ARG C C 175.935 0.300 1 297 33 33 ARG CA C 55.806 0.300 1 298 33 33 ARG CB C 27.318 0.300 1 299 33 33 ARG CD C 40.846 0.300 1 300 33 33 ARG CG C 24.955 0.300 1 301 33 33 ARG N N 117.333 0.300 1 302 34 34 ILE H H 7.716 0.030 1 303 34 34 ILE HA H 3.893 0.030 1 304 34 34 ILE HB H 1.588 0.030 1 305 34 34 ILE HD1 H 0.614 0.030 1 306 34 34 ILE HG12 H 0.848 0.030 2 307 34 34 ILE HG13 H 0.670 0.030 2 308 34 34 ILE HG2 H 0.481 0.030 1 309 34 34 ILE C C 174.785 0.300 1 310 34 34 ILE CA C 60.385 0.300 1 311 34 34 ILE CB C 35.066 0.300 1 312 34 34 ILE CD1 C 11.730 0.300 1 313 34 34 ILE CG1 C 24.050 0.300 1 314 34 34 ILE CG2 C 13.868 0.300 1 315 34 34 ILE N N 116.092 0.300 1 316 35 35 HIS H H 7.098 0.030 1 317 35 35 HIS HA H 4.774 0.030 1 318 35 35 HIS HB2 H 3.270 0.030 2 319 35 35 HIS HB3 H 3.136 0.030 2 320 35 35 HIS HD2 H 6.667 0.030 1 321 35 35 HIS HE1 H 7.979 0.030 1 322 35 35 HIS C C 173.172 0.300 1 323 35 35 HIS CA C 52.531 0.300 1 324 35 35 HIS CB C 25.876 0.300 1 325 35 35 HIS CD2 C 125.001 0.300 1 326 35 35 HIS CE1 C 137.386 0.300 1 327 35 35 HIS N N 117.611 0.300 1 328 36 36 THR H H 7.668 0.030 1 329 36 36 THR HA H 4.266 0.030 1 330 36 36 THR HB H 4.238 0.030 1 331 36 36 THR HG2 H 1.147 0.030 1 332 36 36 THR C C 172.828 0.300 1 333 36 36 THR CA C 59.838 0.300 1 334 36 36 THR CB C 67.176 0.300 1 335 36 36 THR CG2 C 18.961 0.300 1 336 36 36 THR N N 111.677 0.300 1 337 37 37 GLY H H 8.118 0.030 1 338 37 37 GLY HA2 H 3.933 0.030 2 339 37 37 GLY HA3 H 3.871 0.030 2 340 37 37 GLY C C 171.468 0.300 1 341 37 37 GLY CA C 42.692 0.300 1 342 37 37 GLY N N 110.498 0.300 1 343 38 38 GLU H H 7.981 0.030 1 344 38 38 GLU HA H 4.158 0.030 1 345 38 38 GLU HB2 H 1.813 0.030 2 346 38 38 GLU HB3 H 1.901 0.030 2 347 38 38 GLU HG2 H 2.117 0.030 2 348 38 38 GLU HG3 H 2.174 0.030 2 349 38 38 GLU C C 173.909 0.300 1 350 38 38 GLU CA C 53.822 0.300 1 351 38 38 GLU CB C 27.909 0.300 1 352 38 38 GLU CG C 33.669 0.300 1 353 38 38 GLU N N 120.500 0.300 1 354 39 39 LYS H H 8.281 0.030 1 355 39 39 LYS HA H 4.520 0.030 1 356 39 39 LYS HB2 H 1.634 0.030 2 357 39 39 LYS HB3 H 1.725 0.030 2 358 39 39 LYS HD2 H 1.597 0.030 1 359 39 39 LYS HD3 H 1.597 0.030 1 360 39 39 LYS HE2 H 2.911 0.030 1 361 39 39 LYS HE3 H 2.911 0.030 1 362 39 39 LYS HG2 H 1.371 0.030 1 363 39 39 LYS HG3 H 1.371 0.030 1 364 39 39 LYS C C 171.343 0.300 1 365 39 39 LYS CA C 51.431 0.300 1 366 39 39 LYS CB C 29.909 0.300 1 367 39 39 LYS CD C 26.491 0.300 1 368 39 39 LYS CE C 39.568 0.300 1 369 39 39 LYS CG C 21.885 0.300 1 370 39 39 LYS N N 123.617 0.300 1 371 40 40 PRO HA H 4.373 0.030 1 372 40 40 PRO HB2 H 1.851 0.030 2 373 40 40 PRO HB3 H 2.213 0.030 2 374 40 40 PRO HD2 H 3.553 0.030 2 375 40 40 PRO HD3 H 3.724 0.030 2 376 40 40 PRO HG2 H 1.909 0.030 2 377 40 40 PRO HG3 H 1.943 0.030 2 378 40 40 PRO C C 174.409 0.300 1 379 40 40 PRO CA C 60.564 0.300 1 380 40 40 PRO CB C 29.480 0.300 1 381 40 40 PRO CD C 47.956 0.300 1 382 40 40 PRO CG C 24.782 0.300 1 383 41 41 SER H H 8.371 0.030 1 384 41 41 SER HA H 4.378 0.030 1 385 41 41 SER HB2 H 3.789 0.030 1 386 41 41 SER HB3 H 3.789 0.030 1 387 41 41 SER C C 172.076 0.300 1 388 41 41 SER CA C 55.670 0.300 1 389 41 41 SER CB C 61.396 0.300 1 390 41 41 SER N N 116.330 0.300 1 391 42 42 GLY H H 8.116 0.030 1 392 42 42 GLY HA2 H 4.069 0.030 2 393 42 42 GLY HA3 H 4.017 0.030 2 394 42 42 GLY C C 169.218 0.300 1 395 42 42 GLY CA C 42.034 0.300 1 396 42 42 GLY N N 110.522 0.300 1 397 43 43 PRO HA H 4.383 0.030 1 398 43 43 PRO HB2 H 1.903 0.030 2 399 43 43 PRO HB3 H 2.202 0.030 2 400 43 43 PRO HD2 H 3.536 0.030 1 401 43 43 PRO HD3 H 3.536 0.030 1 402 43 43 PRO HG2 H 1.926 0.030 1 403 43 43 PRO HG3 H 1.926 0.030 1 404 43 43 PRO CA C 60.671 0.300 1 405 43 43 PRO CB C 29.499 0.300 1 406 43 43 PRO CD C 47.167 0.300 1 407 43 43 PRO CG C 24.544 0.300 1 408 44 44 SER HA H 4.419 0.030 1 409 44 44 SER HB2 H 3.812 0.030 1 410 44 44 SER HB3 H 3.812 0.030 1 411 44 44 SER C C 172.048 0.300 1 412 44 44 SER CA C 55.923 0.300 1 413 44 44 SER CB C 61.241 0.300 1 414 45 45 SER H H 8.219 0.030 1 415 45 45 SER HA H 4.480 0.030 1 416 45 45 SER HB2 H 3.800 0.030 1 417 45 45 SER HB3 H 3.800 0.030 1 418 45 45 SER C C 171.313 0.300 1 419 45 45 SER CA C 55.642 0.300 1 420 45 45 SER CB C 61.288 0.300 1 421 45 45 SER N N 117.721 0.300 1 422 46 46 GLY H H 7.935 0.030 1 423 46 46 GLY HA2 H 3.660 0.030 2 424 46 46 GLY HA3 H 3.709 0.030 2 425 46 46 GLY C C 176.360 0.300 1 426 46 46 GLY CA C 43.623 0.300 1 427 46 46 GLY N N 116.763 0.300 1 stop_ save_