data_11396 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 6th C2H2 type zinc finger domain of Zinc finger protein 484 ; _BMRB_accession_number 11396 _BMRB_flat_file_name bmr11396.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Imai M. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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" 199 "13C chemical shifts" 153 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 6th C2H2 type zinc finger domain of 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 Imai M. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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 'zinc finger 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 'zinc finger domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GSSGSSGEKPYVCTECGKAF IRKSHFITHERIHTGESGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 LYS 10 PRO 11 TYR 12 VAL 13 CYS 14 THR 15 GLU 16 CYS 17 GLY 18 LYS 19 ALA 20 PHE 21 ILE 22 ARG 23 LYS 24 SER 25 HIS 26 PHE 27 ILE 28 THR 29 HIS 30 GLU 31 ARG 32 ILE 33 HIS 34 THR 35 GLY 36 GLU 37 SER 38 GLY 39 PRO 40 SER 41 SER 42 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 2EQW "Solution Structure Of The 6th C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 484" 100.00 42 100.00 100.00 5.99e-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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P070115-39 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.11mM 13C-15N {PROTEIN;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O {;0.05mM} ZnCl2, 1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.11 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_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 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 2.1 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 Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'zinc finger 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 H H 8.121 0.030 1 2 7 7 GLY HA2 H 3.952 0.030 2 3 7 7 GLY HA3 H 4.038 0.030 2 4 7 7 GLY C C 173.947 0.300 1 5 7 7 GLY CA C 45.536 0.300 1 6 7 7 GLY N N 110.436 0.300 1 7 8 8 GLU H H 8.198 0.030 1 8 8 8 GLU HA H 4.238 0.030 1 9 8 8 GLU HB2 H 1.886 0.030 2 10 8 8 GLU HB3 H 2.006 0.030 2 11 8 8 GLU HG2 H 2.267 0.030 2 12 8 8 GLU HG3 H 2.217 0.030 2 13 8 8 GLU C C 176.115 0.300 1 14 8 8 GLU CA C 56.527 0.300 1 15 8 8 GLU CB C 30.485 0.300 1 16 8 8 GLU CG C 36.328 0.300 1 17 8 8 GLU N N 120.660 0.300 1 18 9 9 LYS H H 8.212 0.030 1 19 9 9 LYS HA H 4.529 0.030 1 20 9 9 LYS HB2 H 1.580 0.030 2 21 9 9 LYS HB3 H 1.630 0.030 2 22 9 9 LYS HD2 H 1.560 0.030 1 23 9 9 LYS HD3 H 1.560 0.030 1 24 9 9 LYS HE2 H 2.926 0.030 1 25 9 9 LYS HE3 H 2.926 0.030 1 26 9 9 LYS HG2 H 1.285 0.030 2 27 9 9 LYS HG3 H 1.371 0.030 2 28 9 9 LYS C C 174.124 0.300 1 29 9 9 LYS CA C 53.854 0.300 1 30 9 9 LYS CB C 32.663 0.300 1 31 9 9 LYS CD C 29.343 0.300 1 32 9 9 LYS CE C 42.251 0.300 1 33 9 9 LYS CG C 24.697 0.300 1 34 9 9 LYS N N 123.024 0.300 1 35 10 10 PRO HA H 4.295 0.030 1 36 10 10 PRO HB2 H 1.989 0.030 2 37 10 10 PRO HB3 H 1.409 0.030 2 38 10 10 PRO HD2 H 3.593 0.030 2 39 10 10 PRO HD3 H 3.683 0.030 2 40 10 10 PRO HG2 H 1.770 0.030 2 41 10 10 PRO HG3 H 1.843 0.030 2 42 10 10 PRO C C 175.946 0.300 1 43 10 10 PRO CA C 63.143 0.300 1 44 10 10 PRO CB C 32.149 0.300 1 45 10 10 PRO CD C 50.456 0.300 1 46 10 10 PRO CG C 26.974 0.300 1 47 11 11 TYR H H 8.156 0.030 1 48 11 11 TYR HA H 4.186 0.030 1 49 11 11 TYR HB2 H 1.900 0.030 2 50 11 11 TYR HB3 H 2.628 0.030 2 51 11 11 TYR HD1 H 6.793 0.030 1 52 11 11 TYR HD2 H 6.793 0.030 1 53 11 11 TYR HE1 H 6.789 0.030 1 54 11 11 TYR HE2 H 6.789 0.030 1 55 11 11 TYR C C 174.706 0.300 1 56 11 11 TYR CA C 57.314 0.300 1 57 11 11 TYR CB C 38.494 0.300 1 58 11 11 TYR CD1 C 133.238 0.300 1 59 11 11 TYR CD2 C 133.238 0.300 1 60 11 11 TYR CE1 C 117.873 0.300 1 61 11 11 TYR CE2 C 117.873 0.300 1 62 11 11 TYR N N 119.857 0.300 1 63 12 12 VAL H H 8.136 0.030 1 64 12 12 VAL HA H 4.606 0.030 1 65 12 12 VAL HB H 1.810 0.030 1 66 12 12 VAL HG1 H 0.714 0.030 1 67 12 12 VAL HG2 H 0.761 0.030 1 68 12 12 VAL C C 175.435 0.300 1 69 12 12 VAL CA C 61.210 0.300 1 70 12 12 VAL CB C 34.272 0.300 1 71 12 12 VAL CG1 C 20.741 0.300 2 72 12 12 VAL CG2 C 21.235 0.300 2 73 12 12 VAL N N 123.483 0.300 1 74 13 13 CYS H H 9.288 0.030 1 75 13 13 CYS HA H 4.907 0.030 1 76 13 13 CYS HB2 H 3.158 0.030 2 77 13 13 CYS HB3 H 3.549 0.030 2 78 13 13 CYS C C 177.769 0.300 1 79 13 13 CYS CA C 59.859 0.300 1 80 13 13 CYS CB C 30.043 0.300 1 81 13 13 CYS N N 129.087 0.300 1 82 14 14 THR H H 9.306 0.030 1 83 14 14 THR HA H 4.153 0.030 1 84 14 14 THR HB H 4.404 0.030 1 85 14 14 THR HG2 H 1.409 0.030 1 86 14 14 THR C C 175.050 0.300 1 87 14 14 THR CA C 64.690 0.300 1 88 14 14 THR CB C 68.880 0.300 1 89 14 14 THR CG2 C 22.186 0.300 1 90 14 14 THR N N 125.141 0.300 1 91 15 15 GLU H H 8.682 0.030 1 92 15 15 GLU HA H 4.262 0.030 1 93 15 15 GLU HB2 H 1.291 0.030 2 94 15 15 GLU HB3 H 1.353 0.030 2 95 15 15 GLU HG2 H 1.856 0.030 1 96 15 15 GLU HG3 H 1.856 0.030 1 97 15 15 GLU C C 177.356 0.300 1 98 15 15 GLU CA C 58.147 0.300 1 99 15 15 GLU CB C 29.454 0.300 1 100 15 15 GLU CG C 35.457 0.300 1 101 15 15 GLU N N 123.095 0.300 1 102 16 16 CYS H H 8.103 0.030 1 103 16 16 CYS HA H 5.184 0.030 1 104 16 16 CYS HB2 H 2.914 0.030 2 105 16 16 CYS HB3 H 3.453 0.030 2 106 16 16 CYS C C 176.409 0.300 1 107 16 16 CYS CA C 58.475 0.300 1 108 16 16 CYS CB C 32.458 0.300 1 109 16 16 CYS N N 114.961 0.300 1 110 17 17 GLY H H 8.095 0.030 1 111 17 17 GLY HA2 H 3.799 0.030 2 112 17 17 GLY HA3 H 4.200 0.030 2 113 17 17 GLY C C 173.661 0.300 1 114 17 17 GLY CA C 46.233 0.300 1 115 17 17 GLY N N 113.459 0.300 1 116 18 18 LYS H H 7.914 0.030 1 117 18 18 LYS HA H 3.987 0.030 1 118 18 18 LYS HB2 H 1.287 0.030 2 119 18 18 LYS HB3 H 1.493 0.030 2 120 18 18 LYS HD2 H 1.516 0.030 2 121 18 18 LYS HD3 H 1.575 0.030 2 122 18 18 LYS HE2 H 2.947 0.030 2 123 18 18 LYS HE3 H 3.002 0.030 2 124 18 18 LYS HG2 H 1.128 0.030 2 125 18 18 LYS HG3 H 1.452 0.030 2 126 18 18 LYS C C 173.399 0.300 1 127 18 18 LYS CA C 58.186 0.300 1 128 18 18 LYS CB C 33.911 0.300 1 129 18 18 LYS CD C 29.367 0.300 1 130 18 18 LYS CE C 42.298 0.300 1 131 18 18 LYS CG C 26.337 0.300 1 132 18 18 LYS N N 122.720 0.300 1 133 19 19 ALA H H 7.803 0.030 1 134 19 19 ALA HA H 5.314 0.030 1 135 19 19 ALA HB H 1.193 0.030 1 136 19 19 ALA C C 176.898 0.300 1 137 19 19 ALA CA C 50.069 0.300 1 138 19 19 ALA CB C 22.512 0.300 1 139 19 19 ALA N N 123.760 0.300 1 140 20 20 PHE H H 9.079 0.030 1 141 20 20 PHE HA H 4.794 0.030 1 142 20 20 PHE HB2 H 2.841 0.030 2 143 20 20 PHE HB3 H 3.459 0.030 2 144 20 20 PHE HD1 H 7.374 0.030 1 145 20 20 PHE HD2 H 7.374 0.030 1 146 20 20 PHE HE1 H 6.900 0.030 1 147 20 20 PHE HE2 H 6.900 0.030 1 148 20 20 PHE HZ H 6.321 0.030 1 149 20 20 PHE C C 175.058 0.300 1 150 20 20 PHE CA C 57.252 0.300 1 151 20 20 PHE CB C 43.458 0.300 1 152 20 20 PHE CD1 C 132.537 0.300 1 153 20 20 PHE CD2 C 132.537 0.300 1 154 20 20 PHE CE1 C 130.700 0.300 1 155 20 20 PHE CE2 C 130.700 0.300 1 156 20 20 PHE CZ C 128.929 0.300 1 157 20 20 PHE N N 118.078 0.300 1 158 21 21 ILE H H 8.769 0.030 1 159 21 21 ILE HA H 4.354 0.030 1 160 21 21 ILE HB H 2.015 0.030 1 161 21 21 ILE HD1 H 0.908 0.030 1 162 21 21 ILE HG12 H 1.359 0.030 2 163 21 21 ILE HG13 H 1.580 0.030 2 164 21 21 ILE HG2 H 0.998 0.030 1 165 21 21 ILE C C 176.266 0.300 1 166 21 21 ILE CA C 62.467 0.300 1 167 21 21 ILE CB C 38.966 0.300 1 168 21 21 ILE CD1 C 12.971 0.300 1 169 21 21 ILE CG1 C 28.104 0.300 1 170 21 21 ILE CG2 C 17.876 0.300 1 171 21 21 ILE N N 120.091 0.300 1 172 22 22 ARG H H 7.975 0.030 1 173 22 22 ARG HA H 4.725 0.030 1 174 22 22 ARG HB2 H 1.735 0.030 2 175 22 22 ARG HB3 H 1.390 0.030 2 176 22 22 ARG HD2 H 2.946 0.030 2 177 22 22 ARG HD3 H 3.007 0.030 2 178 22 22 ARG HE H 7.101 0.030 1 179 22 22 ARG HG2 H 1.596 0.030 1 180 22 22 ARG HG3 H 1.596 0.030 1 181 22 22 ARG C C 176.543 0.300 1 182 22 22 ARG CA C 54.502 0.300 1 183 22 22 ARG CB C 31.505 0.300 1 184 22 22 ARG CD C 43.169 0.300 1 185 22 22 ARG CG C 27.229 0.300 1 186 22 22 ARG N N 118.061 0.300 1 187 23 23 LYS H H 8.991 0.030 1 188 23 23 LYS HA H 3.031 0.030 1 189 23 23 LYS HB2 H 1.591 0.030 2 190 23 23 LYS HB3 H 1.717 0.030 2 191 23 23 LYS HD2 H 1.556 0.030 2 192 23 23 LYS HD3 H 1.609 0.030 2 193 23 23 LYS HE2 H 2.927 0.030 2 194 23 23 LYS HE3 H 2.899 0.030 2 195 23 23 LYS HG2 H 0.896 0.030 2 196 23 23 LYS HG3 H 1.293 0.030 2 197 23 23 LYS C C 178.261 0.300 1 198 23 23 LYS CA C 59.818 0.300 1 199 23 23 LYS CB C 31.995 0.300 1 200 23 23 LYS CD C 29.261 0.300 1 201 23 23 LYS CE C 42.195 0.300 1 202 23 23 LYS CG C 25.096 0.300 1 203 23 23 LYS N N 128.107 0.300 1 204 24 24 SER H H 8.639 0.030 1 205 24 24 SER HA H 3.986 0.030 1 206 24 24 SER HB2 H 3.876 0.030 1 207 24 24 SER HB3 H 3.876 0.030 1 208 24 24 SER C C 177.085 0.300 1 209 24 24 SER CA C 61.222 0.300 1 210 24 24 SER CB C 61.648 0.300 1 211 24 24 SER N N 112.319 0.300 1 212 25 25 HIS H H 6.770 0.030 1 213 25 25 HIS HA H 4.508 0.030 1 214 25 25 HIS HB2 H 3.321 0.030 2 215 25 25 HIS HB3 H 3.468 0.030 2 216 25 25 HIS HD2 H 7.102 0.030 1 217 25 25 HIS HE1 H 7.853 0.030 1 218 25 25 HIS C C 177.736 0.300 1 219 25 25 HIS CA C 57.196 0.300 1 220 25 25 HIS CB C 31.819 0.300 1 221 25 25 HIS CD2 C 117.577 0.300 1 222 25 25 HIS CE1 C 138.939 0.300 1 223 25 25 HIS N N 121.039 0.300 1 224 26 26 PHE H H 7.464 0.030 1 225 26 26 PHE HA H 3.235 0.030 1 226 26 26 PHE HB2 H 2.806 0.030 2 227 26 26 PHE HB3 H 2.995 0.030 2 228 26 26 PHE HD1 H 6.965 0.030 1 229 26 26 PHE HD2 H 6.965 0.030 1 230 26 26 PHE HE1 H 7.324 0.030 1 231 26 26 PHE HE2 H 7.324 0.030 1 232 26 26 PHE HZ H 7.539 0.030 1 233 26 26 PHE C C 175.911 0.300 1 234 26 26 PHE CA C 60.250 0.300 1 235 26 26 PHE CB C 38.765 0.300 1 236 26 26 PHE CD1 C 131.493 0.300 1 237 26 26 PHE CD2 C 131.493 0.300 1 238 26 26 PHE CE1 C 131.199 0.300 1 239 26 26 PHE CE2 C 131.199 0.300 1 240 26 26 PHE CZ C 131.168 0.300 1 241 26 26 PHE N N 122.128 0.300 1 242 27 27 ILE H H 8.371 0.030 1 243 27 27 ILE HA H 3.510 0.030 1 244 27 27 ILE HB H 1.824 0.030 1 245 27 27 ILE HD1 H 0.781 0.030 1 246 27 27 ILE HG12 H 1.270 0.030 2 247 27 27 ILE HG13 H 1.583 0.030 2 248 27 27 ILE HG2 H 0.837 0.030 1 249 27 27 ILE C C 179.190 0.300 1 250 27 27 ILE CA C 64.116 0.300 1 251 27 27 ILE CB C 37.482 0.300 1 252 27 27 ILE CD1 C 12.624 0.300 1 253 27 27 ILE CG1 C 28.488 0.300 1 254 27 27 ILE CG2 C 17.035 0.300 1 255 27 27 ILE N N 119.761 0.300 1 256 28 28 THR H H 7.578 0.030 1 257 28 28 THR HA H 3.765 0.030 1 258 28 28 THR HB H 4.085 0.030 1 259 28 28 THR HG2 H 1.203 0.030 1 260 28 28 THR C C 176.148 0.300 1 261 28 28 THR CA C 66.331 0.300 1 262 28 28 THR CB C 68.762 0.300 1 263 28 28 THR CG2 C 22.089 0.300 1 264 28 28 THR N N 115.099 0.300 1 265 29 29 HIS H H 7.540 0.030 1 266 29 29 HIS HA H 4.033 0.030 1 267 29 29 HIS HB2 H 2.966 0.030 2 268 29 29 HIS HB3 H 2.752 0.030 2 269 29 29 HIS HD2 H 6.895 0.030 1 270 29 29 HIS HE1 H 8.044 0.030 1 271 29 29 HIS C C 176.069 0.300 1 272 29 29 HIS CA C 59.539 0.300 1 273 29 29 HIS CB C 28.483 0.300 1 274 29 29 HIS CD2 C 127.235 0.300 1 275 29 29 HIS CE1 C 139.516 0.300 1 276 29 29 HIS N N 121.087 0.300 1 277 30 30 GLU H H 8.029 0.030 1 278 30 30 GLU HA H 3.655 0.030 1 279 30 30 GLU HB2 H 1.839 0.030 1 280 30 30 GLU HB3 H 1.839 0.030 1 281 30 30 GLU HG2 H 2.072 0.030 1 282 30 30 GLU HG3 H 2.072 0.030 1 283 30 30 GLU C C 178.257 0.300 1 284 30 30 GLU CA C 60.088 0.300 1 285 30 30 GLU CB C 29.812 0.300 1 286 30 30 GLU CG C 36.981 0.300 1 287 30 30 GLU N N 116.939 0.300 1 288 31 31 ARG H H 7.017 0.030 1 289 31 31 ARG HA H 4.147 0.030 1 290 31 31 ARG HB2 H 1.859 0.030 2 291 31 31 ARG HB3 H 1.773 0.030 2 292 31 31 ARG HD2 H 3.136 0.030 1 293 31 31 ARG HD3 H 3.136 0.030 1 294 31 31 ARG HG2 H 1.623 0.030 2 295 31 31 ARG HG3 H 1.778 0.030 2 296 31 31 ARG C C 178.798 0.300 1 297 31 31 ARG CA C 58.043 0.300 1 298 31 31 ARG CB C 29.993 0.300 1 299 31 31 ARG CD C 43.574 0.300 1 300 31 31 ARG CG C 27.584 0.300 1 301 31 31 ARG N N 115.128 0.300 1 302 32 32 ILE H H 7.836 0.030 1 303 32 32 ILE HA H 3.858 0.030 1 304 32 32 ILE HB H 1.583 0.030 1 305 32 32 ILE HD1 H 0.678 0.030 1 306 32 32 ILE HG12 H 0.901 0.030 2 307 32 32 ILE HG13 H 0.941 0.030 2 308 32 32 ILE HG2 H 0.555 0.030 1 309 32 32 ILE C C 177.813 0.300 1 310 32 32 ILE CA C 63.457 0.300 1 311 32 32 ILE CB C 37.433 0.300 1 312 32 32 ILE CD1 C 13.947 0.300 1 313 32 32 ILE CG1 C 27.111 0.300 1 314 32 32 ILE CG2 C 16.487 0.300 1 315 32 32 ILE N N 118.187 0.300 1 316 33 33 HIS H H 7.090 0.030 1 317 33 33 HIS HA H 4.756 0.030 1 318 33 33 HIS HB2 H 3.248 0.030 2 319 33 33 HIS HB3 H 3.326 0.030 2 320 33 33 HIS HD2 H 6.787 0.030 1 321 33 33 HIS HE1 H 8.043 0.030 1 322 33 33 HIS C C 176.111 0.300 1 323 33 33 HIS CA C 55.811 0.300 1 324 33 33 HIS CB C 28.672 0.300 1 325 33 33 HIS CD2 C 128.148 0.300 1 326 33 33 HIS CE1 C 139.951 0.300 1 327 33 33 HIS N N 116.667 0.300 1 328 34 34 THR H H 7.786 0.030 1 329 34 34 THR HA H 4.343 0.030 1 330 34 34 THR HB H 4.317 0.030 1 331 34 34 THR HG2 H 1.229 0.030 1 332 34 34 THR C C 175.780 0.300 1 333 34 34 THR CA C 62.554 0.300 1 334 34 34 THR CB C 69.956 0.300 1 335 34 34 THR CG2 C 21.605 0.300 1 336 34 34 THR N N 110.691 0.300 1 337 35 35 GLY H H 8.122 0.030 1 338 35 35 GLY HA2 H 3.951 0.030 2 339 35 35 GLY HA3 H 4.045 0.030 2 340 35 35 GLY C C 174.339 0.300 1 341 35 35 GLY CA C 45.475 0.300 1 342 35 35 GLY N N 110.421 0.300 1 343 36 36 GLU H H 8.087 0.030 1 344 36 36 GLU HA H 4.305 0.030 1 345 36 36 GLU HB2 H 1.905 0.030 2 346 36 36 GLU HB3 H 2.056 0.030 2 347 36 36 GLU HG2 H 2.214 0.030 2 348 36 36 GLU HG3 H 2.272 0.030 2 349 36 36 GLU C C 176.533 0.300 1 350 36 36 GLU CA C 56.686 0.300 1 351 36 36 GLU CB C 30.564 0.300 1 352 36 36 GLU CG C 36.334 0.300 1 353 36 36 GLU N N 120.583 0.300 1 354 37 37 SER H H 8.357 0.030 1 355 37 37 SER HA H 4.475 0.030 1 356 37 37 SER HB2 H 3.864 0.030 2 357 37 37 SER HB3 H 3.929 0.030 2 358 37 37 SER C C 174.596 0.300 1 359 37 37 SER CA C 58.566 0.300 1 360 37 37 SER CB C 64.022 0.300 1 361 37 37 SER N N 116.660 0.300 1 362 38 38 GLY H H 8.212 0.030 1 363 38 38 GLY HA2 H 4.060 0.030 2 364 38 38 GLY HA3 H 4.153 0.030 2 365 38 38 GLY C C 171.700 0.300 1 366 38 38 GLY CA C 44.677 0.300 1 367 38 38 GLY N N 110.529 0.300 1 368 39 39 PRO HA H 4.478 0.030 1 369 39 39 PRO HB2 H 2.291 0.030 2 370 39 39 PRO HB3 H 1.973 0.030 2 371 39 39 PRO HD2 H 3.616 0.030 1 372 39 39 PRO HD3 H 3.616 0.030 1 373 39 39 PRO HG2 H 2.012 0.030 1 374 39 39 PRO HG3 H 2.012 0.030 1 375 39 39 PRO C C 177.380 0.300 1 376 39 39 PRO CA C 63.225 0.300 1 377 39 39 PRO CB C 32.213 0.300 1 378 39 39 PRO CD C 49.813 0.300 1 379 39 39 PRO CG C 27.183 0.300 1 380 40 40 SER H H 8.512 0.030 1 381 40 40 SER C C 174.647 0.300 1 382 40 40 SER CA C 58.409 0.300 1 383 40 40 SER CB C 64.128 0.300 1 384 40 40 SER N N 116.427 0.300 1 stop_ save_