data_11165 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 329-359) of human Zinc finger protein 268 ; _BMRB_accession_number 11165 _BMRB_flat_file_name bmr11165.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 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_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 213 "13C chemical shifts" 154 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 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 329-359) of human Zinc finger protein 268 ; _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 268' _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 44 _Mol_residue_sequence ; GSSGSSGEKLHECSECRKTF SFHSQLVIHQRIHTGENPSG PSSG ; 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 LEU 11 HIS 12 GLU 13 CYS 14 SER 15 GLU 16 CYS 17 ARG 18 LYS 19 THR 20 PHE 21 SER 22 PHE 23 HIS 24 SER 25 GLN 26 LEU 27 VAL 28 ILE 29 HIS 30 GLN 31 ARG 32 ILE 33 HIS 34 THR 35 GLY 36 GLU 37 ASN 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 2EOI "Solution Structure Of The C2h2 Type Zinc Finger (Region 329- 359) Of Human Zinc Finger Protein 268" 100.00 44 100.00 100.00 1.65e-21 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' . Escherichia coli . P061218-03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; about 1.0mM sample U-15N, {13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 0.05mM {ZnCl2;} 1mM {IDA;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % '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 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 '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_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 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 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 6 6 SER HA H 4.483 0.030 1 2 6 6 SER HB2 H 3.891 0.030 1 3 6 6 SER HB3 H 3.891 0.030 1 4 6 6 SER C C 175.067 0.300 1 5 6 6 SER CA C 58.653 0.300 1 6 6 6 SER CB C 63.777 0.300 1 7 7 7 GLY H H 8.372 0.030 1 8 7 7 GLY HA2 H 3.963 0.030 2 9 7 7 GLY HA3 H 4.034 0.030 2 10 7 7 GLY C C 174.036 0.300 1 11 7 7 GLY CA C 45.401 0.300 1 12 7 7 GLY N N 110.716 0.300 1 13 8 8 GLU H H 8.099 0.030 1 14 8 8 GLU HA H 4.244 0.030 1 15 8 8 GLU HB2 H 1.997 0.030 2 16 8 8 GLU HB3 H 1.885 0.030 2 17 8 8 GLU HG2 H 2.247 0.030 2 18 8 8 GLU HG3 H 2.196 0.030 2 19 8 8 GLU C C 176.202 0.300 1 20 8 8 GLU CA C 56.514 0.300 1 21 8 8 GLU CB C 30.451 0.300 1 22 8 8 GLU CG C 36.246 0.300 1 23 8 8 GLU N N 120.162 0.300 1 24 9 9 LYS H H 8.342 0.030 1 25 9 9 LYS HA H 4.249 0.030 1 26 9 9 LYS HB2 H 1.664 0.030 1 27 9 9 LYS HB3 H 1.664 0.030 1 28 9 9 LYS HD2 H 1.594 0.030 1 29 9 9 LYS HD3 H 1.594 0.030 1 30 9 9 LYS HE2 H 2.932 0.030 1 31 9 9 LYS HE3 H 2.932 0.030 1 32 9 9 LYS HG2 H 1.284 0.030 1 33 9 9 LYS HG3 H 1.284 0.030 1 34 9 9 LYS C C 175.514 0.300 1 35 9 9 LYS CA C 55.987 0.300 1 36 9 9 LYS CB C 32.805 0.300 1 37 9 9 LYS CD C 29.061 0.300 1 38 9 9 LYS CE C 42.179 0.300 1 39 9 9 LYS CG C 24.567 0.300 1 40 9 9 LYS N N 122.803 0.300 1 41 10 10 LEU H H 8.047 0.030 1 42 10 10 LEU HA H 4.332 0.030 1 43 10 10 LEU HB2 H 1.472 0.030 2 44 10 10 LEU HB3 H 1.283 0.030 2 45 10 10 LEU HD1 H 0.728 0.030 1 46 10 10 LEU HD2 H 0.801 0.030 1 47 10 10 LEU HG H 1.456 0.030 1 48 10 10 LEU C C 176.367 0.300 1 49 10 10 LEU CA C 54.427 0.300 1 50 10 10 LEU CB C 43.333 0.300 1 51 10 10 LEU CD1 C 23.253 0.300 2 52 10 10 LEU CD2 C 25.034 0.300 2 53 10 10 LEU CG C 26.917 0.300 1 54 10 10 LEU N N 122.317 0.300 1 55 11 11 HIS H H 8.408 0.030 1 56 11 11 HIS HA H 4.617 0.030 1 57 11 11 HIS HB2 H 3.117 0.030 2 58 11 11 HIS HB3 H 2.973 0.030 2 59 11 11 HIS HD2 H 6.807 0.030 1 60 11 11 HIS HE1 H 7.741 0.030 1 61 11 11 HIS C C 174.178 0.300 1 62 11 11 HIS CA C 55.510 0.300 1 63 11 11 HIS CB C 31.223 0.300 1 64 11 11 HIS CD2 C 119.955 0.300 1 65 11 11 HIS CE1 C 138.215 0.300 1 66 11 11 HIS N N 121.255 0.300 1 67 12 12 GLU H H 8.782 0.030 1 68 12 12 GLU HA H 4.862 0.030 1 69 12 12 GLU HB2 H 1.927 0.030 2 70 12 12 GLU HB3 H 1.744 0.030 2 71 12 12 GLU HG2 H 1.864 0.030 1 72 12 12 GLU HG3 H 1.864 0.030 1 73 12 12 GLU C C 175.055 0.300 1 74 12 12 GLU CA C 54.867 0.300 1 75 12 12 GLU CB C 33.563 0.300 1 76 12 12 GLU CG C 36.494 0.300 1 77 12 12 GLU N N 125.166 0.300 1 78 13 13 CYS H H 9.104 0.030 1 79 13 13 CYS HA H 4.595 0.030 1 80 13 13 CYS HB2 H 3.366 0.030 2 81 13 13 CYS HB3 H 2.848 0.030 2 82 13 13 CYS C C 177.119 0.300 1 83 13 13 CYS CA C 59.489 0.300 1 84 13 13 CYS CB C 29.549 0.300 1 85 13 13 CYS N N 128.026 0.300 1 86 14 14 SER H H 9.294 0.030 1 87 14 14 SER HA H 4.264 0.030 1 88 14 14 SER HB2 H 4.036 0.030 2 89 14 14 SER HB3 H 4.007 0.030 2 90 14 14 SER C C 174.534 0.300 1 91 14 14 SER CA C 61.092 0.300 1 92 14 14 SER CB C 63.026 0.300 1 93 14 14 SER N N 127.752 0.300 1 94 15 15 GLU H H 8.587 0.030 1 95 15 15 GLU HA H 4.258 0.030 1 96 15 15 GLU HB2 H 1.361 0.030 2 97 15 15 GLU HB3 H 1.317 0.030 2 98 15 15 GLU HG2 H 1.879 0.030 2 99 15 15 GLU HG3 H 1.791 0.030 2 100 15 15 GLU C C 177.001 0.300 1 101 15 15 GLU CA C 58.083 0.300 1 102 15 15 GLU CB C 29.676 0.300 1 103 15 15 GLU CG C 35.610 0.300 1 104 15 15 GLU N N 122.488 0.300 1 105 16 16 CYS H H 7.964 0.030 1 106 16 16 CYS HA H 5.111 0.030 1 107 16 16 CYS HB2 H 2.876 0.030 2 108 16 16 CYS HB3 H 3.426 0.030 2 109 16 16 CYS C C 175.360 0.300 1 110 16 16 CYS CA C 58.509 0.300 1 111 16 16 CYS CB C 31.851 0.300 1 112 16 16 CYS N N 115.649 0.300 1 113 17 17 ARG H H 8.125 0.030 1 114 17 17 ARG HA H 4.167 0.030 1 115 17 17 ARG HB2 H 2.179 0.030 2 116 17 17 ARG HB3 H 2.066 0.030 2 117 17 17 ARG HD2 H 3.166 0.030 2 118 17 17 ARG HD3 H 3.085 0.030 2 119 17 17 ARG HG2 H 1.599 0.030 2 120 17 17 ARG HG3 H 1.426 0.030 2 121 17 17 ARG C C 175.361 0.300 1 122 17 17 ARG CA C 57.893 0.300 1 123 17 17 ARG CB C 26.258 0.300 1 124 17 17 ARG CD C 42.539 0.300 1 125 17 17 ARG CG C 27.146 0.300 1 126 17 17 ARG N N 116.618 0.300 1 127 18 18 LYS H H 7.935 0.030 1 128 18 18 LYS HA H 4.134 0.030 1 129 18 18 LYS HB2 H 1.417 0.030 2 130 18 18 LYS HB3 H 1.257 0.030 2 131 18 18 LYS HD2 H 1.549 0.030 2 132 18 18 LYS HD3 H 1.499 0.030 2 133 18 18 LYS HE2 H 3.016 0.030 2 134 18 18 LYS HE3 H 2.945 0.030 2 135 18 18 LYS HG2 H 1.176 0.030 2 136 18 18 LYS HG3 H 1.527 0.030 2 137 18 18 LYS C C 175.045 0.300 1 138 18 18 LYS CA C 58.123 0.300 1 139 18 18 LYS CB C 33.795 0.300 1 140 18 18 LYS CD C 29.264 0.300 1 141 18 18 LYS CE C 42.238 0.300 1 142 18 18 LYS CG C 26.515 0.300 1 143 18 18 LYS N N 121.811 0.300 1 144 19 19 THR H H 7.578 0.030 1 145 19 19 THR HA H 5.147 0.030 1 146 19 19 THR HB H 3.939 0.030 1 147 19 19 THR HG2 H 1.050 0.030 1 148 19 19 THR C C 173.549 0.300 1 149 19 19 THR CA C 59.473 0.300 1 150 19 19 THR CB C 71.655 0.300 1 151 19 19 THR CG2 C 21.921 0.300 1 152 19 19 THR N N 110.653 0.300 1 153 20 20 PHE H H 8.536 0.030 1 154 20 20 PHE HA H 4.750 0.030 1 155 20 20 PHE HB2 H 2.538 0.030 2 156 20 20 PHE HB3 H 3.537 0.030 2 157 20 20 PHE HD1 H 7.154 0.030 1 158 20 20 PHE HD2 H 7.154 0.030 1 159 20 20 PHE HE1 H 6.817 0.030 1 160 20 20 PHE HE2 H 6.817 0.030 1 161 20 20 PHE HZ H 6.113 0.030 1 162 20 20 PHE C C 175.650 0.300 1 163 20 20 PHE CA C 56.978 0.300 1 164 20 20 PHE CB C 43.712 0.300 1 165 20 20 PHE CD1 C 132.416 0.300 1 166 20 20 PHE CD2 C 132.416 0.300 1 167 20 20 PHE CE1 C 130.524 0.300 1 168 20 20 PHE CE2 C 130.524 0.300 1 169 20 20 PHE CZ C 128.654 0.300 1 170 20 20 PHE N N 117.032 0.300 1 171 21 21 SER HA H 4.394 0.030 1 172 21 21 SER HB2 H 3.649 0.030 2 173 21 21 SER HB3 H 3.391 0.030 2 174 21 21 SER C C 173.513 0.300 1 175 21 21 SER CA C 61.437 0.300 1 176 21 21 SER CB C 63.551 0.300 1 177 22 22 PHE H H 7.738 0.030 1 178 22 22 PHE HA H 4.958 0.030 1 179 22 22 PHE HB2 H 2.542 0.030 2 180 22 22 PHE HB3 H 3.446 0.030 2 181 22 22 PHE HD1 H 7.306 0.030 1 182 22 22 PHE HD2 H 7.306 0.030 1 183 22 22 PHE HE1 H 7.417 0.030 1 184 22 22 PHE HE2 H 7.417 0.030 1 185 22 22 PHE HZ H 7.365 0.030 1 186 22 22 PHE C C 175.922 0.300 1 187 22 22 PHE CA C 55.928 0.300 1 188 22 22 PHE CB C 42.243 0.300 1 189 22 22 PHE CD1 C 132.207 0.300 1 190 22 22 PHE CD2 C 132.207 0.300 1 191 22 22 PHE CE1 C 131.314 0.300 1 192 22 22 PHE CE2 C 131.314 0.300 1 193 22 22 PHE CZ C 130.141 0.300 1 194 22 22 PHE N N 115.201 0.300 1 195 23 23 HIS HA H 3.423 0.030 1 196 23 23 HIS HB2 H 2.913 0.030 2 197 23 23 HIS HB3 H 2.761 0.030 2 198 23 23 HIS HD2 H 7.003 0.030 1 199 23 23 HIS HE1 H 7.864 0.030 1 200 23 23 HIS CA C 60.979 0.300 1 201 23 23 HIS CB C 30.313 0.300 1 202 23 23 HIS CD2 C 119.164 0.300 1 203 23 23 HIS CE1 C 138.621 0.300 1 204 24 24 SER H H 8.760 0.030 1 205 24 24 SER HA H 3.858 0.030 1 206 24 24 SER HB2 H 3.863 0.030 2 207 24 24 SER C C 176.822 0.300 1 208 24 24 SER CA C 61.270 0.300 1 209 24 24 SER CB C 61.006 0.300 1 210 24 24 SER N N 111.865 0.300 1 211 25 25 GLN H H 6.803 0.030 1 212 25 25 GLN HA H 3.926 0.030 1 213 25 25 GLN HB2 H 2.557 0.030 2 214 25 25 GLN HB3 H 2.069 0.030 2 215 25 25 GLN HE21 H 7.653 0.030 2 216 25 25 GLN HE22 H 7.166 0.030 2 217 25 25 GLN HG2 H 2.527 0.030 2 218 25 25 GLN HG3 H 2.457 0.030 2 219 25 25 GLN C C 178.562 0.300 1 220 25 25 GLN CA C 57.676 0.300 1 221 25 25 GLN CB C 28.962 0.300 1 222 25 25 GLN CG C 34.466 0.300 1 223 25 25 GLN N N 118.974 0.300 1 224 25 25 GLN NE2 N 111.860 0.300 1 225 26 26 LEU H H 6.962 0.030 1 226 26 26 LEU HA H 3.153 0.030 1 227 26 26 LEU HB2 H 1.120 0.030 2 228 26 26 LEU HB3 H 1.983 0.030 2 229 26 26 LEU HD1 H 0.983 0.030 1 230 26 26 LEU HD2 H 0.991 0.030 1 231 26 26 LEU HG H 1.411 0.030 1 232 26 26 LEU C C 177.269 0.300 1 233 26 26 LEU CA C 57.661 0.300 1 234 26 26 LEU CB C 40.247 0.300 1 235 26 26 LEU CD1 C 22.995 0.300 2 236 26 26 LEU CD2 C 26.566 0.300 2 237 26 26 LEU CG C 27.392 0.300 1 238 26 26 LEU N N 122.615 0.300 1 239 27 27 VAL H H 7.708 0.030 1 240 27 27 VAL HA H 3.553 0.030 1 241 27 27 VAL HB H 1.841 0.030 1 242 27 27 VAL HG1 H 0.647 0.030 1 243 27 27 VAL HG2 H 0.803 0.030 1 244 27 27 VAL C C 178.828 0.300 1 245 27 27 VAL CA C 66.304 0.300 1 246 27 27 VAL CB C 31.653 0.300 1 247 27 27 VAL CG1 C 22.323 0.300 2 248 27 27 VAL CG2 C 20.991 0.300 2 249 27 27 VAL N N 118.298 0.300 1 250 28 28 ILE H H 7.054 0.030 1 251 28 28 ILE HA H 3.564 0.030 1 252 28 28 ILE HB H 1.652 0.030 1 253 28 28 ILE HD1 H 0.797 0.030 1 254 28 28 ILE HG12 H 1.612 0.030 2 255 28 28 ILE HG13 H 1.126 0.030 2 256 28 28 ILE HG2 H 0.871 0.030 1 257 28 28 ILE C C 178.765 0.300 1 258 28 28 ILE CA C 64.611 0.300 1 259 28 28 ILE CB C 38.348 0.300 1 260 28 28 ILE CD1 C 12.721 0.300 1 261 28 28 ILE CG1 C 29.223 0.300 1 262 28 28 ILE CG2 C 17.213 0.300 1 263 28 28 ILE N N 118.583 0.300 1 264 29 29 HIS H H 7.606 0.030 1 265 29 29 HIS HA H 4.138 0.030 1 266 29 29 HIS HB2 H 2.796 0.030 2 267 29 29 HIS HB3 H 3.071 0.030 2 268 29 29 HIS HD2 H 6.908 0.030 1 269 29 29 HIS HE1 H 8.042 0.030 1 270 29 29 HIS C C 176.241 0.300 1 271 29 29 HIS CA C 59.333 0.300 1 272 29 29 HIS CB C 28.434 0.300 1 273 29 29 HIS CD2 C 127.101 0.300 1 274 29 29 HIS CE1 C 139.576 0.300 1 275 29 29 HIS N N 120.152 0.300 1 276 30 30 GLN H H 8.456 0.030 1 277 30 30 GLN HA H 3.656 0.030 1 278 30 30 GLN HB2 H 2.318 0.030 2 279 30 30 GLN HB3 H 2.190 0.030 2 280 30 30 GLN HE21 H 7.620 0.030 2 281 30 30 GLN HE22 H 6.942 0.030 2 282 30 30 GLN HG2 H 2.849 0.030 2 283 30 30 GLN HG3 H 2.786 0.030 2 284 30 30 GLN C C 177.375 0.300 1 285 30 30 GLN CA C 59.437 0.300 1 286 30 30 GLN CB C 28.265 0.300 1 287 30 30 GLN CG C 35.622 0.300 1 288 30 30 GLN N N 114.999 0.300 1 289 30 30 GLN NE2 N 111.645 0.300 1 290 31 31 ARG H H 7.181 0.030 1 291 31 31 ARG HA H 4.148 0.030 1 292 31 31 ARG HB2 H 1.888 0.030 2 293 31 31 ARG HB3 H 1.777 0.030 2 294 31 31 ARG HD2 H 3.179 0.030 1 295 31 31 ARG HD3 H 3.179 0.030 1 296 31 31 ARG HG2 H 1.657 0.030 2 297 31 31 ARG HG3 H 1.889 0.030 2 298 31 31 ARG C C 178.696 0.300 1 299 31 31 ARG CA C 58.557 0.300 1 300 31 31 ARG CB C 30.026 0.300 1 301 31 31 ARG CD C 43.794 0.300 1 302 31 31 ARG CG C 27.712 0.300 1 303 31 31 ARG N N 117.783 0.300 1 304 32 32 ILE H H 7.890 0.030 1 305 32 32 ILE HA H 3.965 0.030 1 306 32 32 ILE HB H 1.650 0.030 1 307 32 32 ILE HD1 H 0.701 0.030 1 308 32 32 ILE HG12 H 0.906 0.030 2 309 32 32 ILE HG13 H 0.741 0.030 2 310 32 32 ILE HG2 H 0.569 0.030 1 311 32 32 ILE C C 177.395 0.300 1 312 32 32 ILE CA C 63.180 0.300 1 313 32 32 ILE CB C 37.767 0.300 1 314 32 32 ILE CD1 C 14.530 0.300 1 315 32 32 ILE CG1 C 26.635 0.300 1 316 32 32 ILE CG2 C 16.426 0.300 1 317 32 32 ILE N N 116.246 0.300 1 318 33 33 HIS H H 7.204 0.030 1 319 33 33 HIS HA H 4.860 0.030 1 320 33 33 HIS HB2 H 3.376 0.030 2 321 33 33 HIS HB3 H 3.239 0.030 2 322 33 33 HIS HD2 H 6.753 0.030 1 323 33 33 HIS HE1 H 8.066 0.030 1 324 33 33 HIS C C 175.789 0.300 1 325 33 33 HIS CA C 55.190 0.300 1 326 33 33 HIS CB C 28.526 0.300 1 327 33 33 HIS CD2 C 127.576 0.300 1 328 33 33 HIS CE1 C 140.123 0.300 1 329 33 33 HIS N N 117.555 0.300 1 330 34 34 THR H H 7.756 0.030 1 331 34 34 THR HA H 4.371 0.030 1 332 34 34 THR HB H 4.335 0.030 1 333 34 34 THR HG2 H 1.244 0.030 1 334 34 34 THR C C 175.473 0.300 1 335 34 34 THR CA C 62.380 0.300 1 336 34 34 THR CB C 69.896 0.300 1 337 34 34 THR CG2 C 21.590 0.300 1 338 34 34 THR N N 111.328 0.300 1 339 35 35 GLY H H 8.197 0.030 1 340 35 35 GLY HA2 H 4.034 0.030 2 341 35 35 GLY HA3 H 3.957 0.030 2 342 35 35 GLY C C 174.015 0.300 1 343 35 35 GLY CA C 45.320 0.300 1 344 35 35 GLY N N 110.572 0.300 1 345 36 36 GLU H H 8.245 0.030 1 346 36 36 GLU HA H 4.240 0.030 1 347 36 36 GLU HB2 H 1.994 0.030 2 348 36 36 GLU HB3 H 1.888 0.030 2 349 36 36 GLU HG2 H 2.198 0.030 2 350 36 36 GLU HG3 H 2.247 0.030 2 351 36 36 GLU C C 175.947 0.300 1 352 36 36 GLU CA C 56.498 0.300 1 353 36 36 GLU CB C 30.519 0.300 1 354 36 36 GLU CG C 36.246 0.300 1 355 36 36 GLU N N 120.782 0.300 1 356 37 37 ASN H H 8.535 0.030 1 357 37 37 ASN HA H 4.965 0.030 1 358 37 37 ASN HB2 H 2.666 0.030 2 359 37 37 ASN HB3 H 2.816 0.030 2 360 37 37 ASN HD21 H 7.611 0.030 2 361 37 37 ASN HD22 H 6.932 0.030 2 362 37 37 ASN C C 173.381 0.300 1 363 37 37 ASN CA C 51.374 0.300 1 364 37 37 ASN CB C 38.940 0.300 1 365 37 37 ASN N N 120.505 0.300 1 366 37 37 ASN ND2 N 113.248 0.300 1 367 38 38 PRO HA H 4.452 0.030 1 368 38 38 PRO HB2 H 2.291 0.030 2 369 38 38 PRO HB3 H 1.987 0.030 2 370 38 38 PRO HD2 H 3.752 0.030 1 371 38 38 PRO HD3 H 3.752 0.030 1 372 38 38 PRO HG2 H 2.008 0.030 1 373 38 38 PRO HG3 H 2.008 0.030 1 374 38 38 PRO CA C 63.639 0.300 1 375 38 38 PRO CB C 32.166 0.300 1 376 38 38 PRO CD C 50.745 0.300 1 377 38 38 PRO CG C 27.222 0.300 1 378 39 39 SER H H 8.378 0.030 1 379 39 39 SER HA H 4.787 0.030 1 380 39 39 SER HB2 H 3.886 0.030 2 381 39 39 SER HB3 H 3.923 0.030 2 382 39 39 SER CA C 58.509 0.300 1 383 39 39 SER CB C 63.884 0.300 1 384 39 39 SER N N 115.637 0.300 1 385 40 40 GLY H H 8.124 0.030 1 386 40 40 GLY HA2 H 4.151 0.030 2 387 40 40 GLY HA3 H 4.100 0.030 2 388 40 40 GLY CA C 44.720 0.300 1 389 40 40 GLY N N 110.470 0.300 1 390 41 41 PRO HA H 4.483 0.030 1 391 41 41 PRO HB2 H 2.296 0.030 1 392 41 41 PRO HB3 H 2.296 0.030 1 393 41 41 PRO HD2 H 3.629 0.030 1 394 41 41 PRO HD3 H 3.629 0.030 1 395 41 41 PRO HG2 H 2.017 0.030 1 396 41 41 PRO HG3 H 2.017 0.030 1 397 41 41 PRO CA C 63.245 0.300 1 398 41 41 PRO CB C 32.173 0.300 1 399 41 41 PRO CD C 49.761 0.300 1 400 41 41 PRO CG C 27.158 0.300 1 401 42 42 SER H H 8.537 0.030 1 402 42 42 SER N N 116.521 0.300 1 stop_ save_