data_10219 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 441-469) of human Zinc finger protein 268 ; _BMRB_accession_number 10219 _BMRB_flat_file_name bmr10219.str _Entry_type original _Submission_date 2008-05-22 _Accession_date 2008-05-22 _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" 202 "13C chemical shifts" 156 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-28 original author . stop_ _Original_release_date 2009-05-28 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 441-469) 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 42 _Mol_residue_sequence ; GSSGSSGEKPYVCSDCGKAF TFKSQLIVHQGIHTGVSGPS 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 SER 15 ASP 16 CYS 17 GLY 18 LYS 19 ALA 20 PHE 21 THR 22 PHE 23 LYS 24 SER 25 GLN 26 LEU 27 ILE 28 VAL 29 HIS 30 GLN 31 GLY 32 ILE 33 HIS 34 THR 35 GLY 36 VAL 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 2EOK "Solution Structure Of The C2h2 Type Zinc Finger (Region 441- 469) Of Human Zinc Finger Protein 268" 100.00 42 100.00 100.00 9.84e-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 . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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' . . . . plasmid P061218-07 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 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_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_ _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 4.423 0.030 1 2 6 6 SER HB2 H 3.855 0.030 1 3 6 6 SER HB3 H 3.855 0.030 1 4 6 6 SER C C 174.984 0.300 1 5 6 6 SER CA C 58.619 0.300 1 6 6 6 SER CB C 63.809 0.300 1 7 7 7 GLY H H 8.330 0.030 1 8 7 7 GLY HA2 H 3.853 0.030 1 9 7 7 GLY HA3 H 3.853 0.030 1 10 7 7 GLY C C 173.978 0.300 1 11 7 7 GLY CA C 45.124 0.300 1 12 7 7 GLY N N 110.444 0.300 1 13 8 8 GLU H H 8.136 0.030 1 14 8 8 GLU HA H 4.084 0.030 1 15 8 8 GLU HB2 H 1.890 0.030 2 16 8 8 GLU HB3 H 1.813 0.030 2 17 8 8 GLU HG2 H 2.166 0.030 2 18 8 8 GLU HG3 H 2.122 0.030 2 19 8 8 GLU C C 176.363 0.300 1 20 8 8 GLU CA C 56.807 0.300 1 21 8 8 GLU CB C 30.323 0.300 1 22 8 8 GLU CG C 36.239 0.300 1 23 8 8 GLU N N 120.206 0.300 1 24 9 9 LYS H H 8.190 0.030 1 25 9 9 LYS HA H 4.401 0.030 1 26 9 9 LYS HB2 H 1.435 0.030 2 27 9 9 LYS HB3 H 1.264 0.030 2 28 9 9 LYS HD2 H 1.373 0.030 1 29 9 9 LYS HD3 H 1.373 0.030 1 30 9 9 LYS HE2 H 2.805 0.030 1 31 9 9 LYS HE3 H 2.805 0.030 1 32 9 9 LYS HG2 H 1.170 0.030 2 33 9 9 LYS HG3 H 1.105 0.030 2 34 9 9 LYS C C 173.724 0.300 1 35 9 9 LYS CA C 53.773 0.300 1 36 9 9 LYS CB C 33.324 0.300 1 37 9 9 LYS CD C 29.403 0.300 1 38 9 9 LYS CE C 42.287 0.300 1 39 9 9 LYS CG C 24.643 0.300 1 40 9 9 LYS N N 121.893 0.300 1 41 10 10 PRO HA H 4.176 0.030 1 42 10 10 PRO HB2 H 1.116 0.030 2 43 10 10 PRO HB3 H 1.928 0.030 2 44 10 10 PRO HD2 H 3.639 0.030 2 45 10 10 PRO HD3 H 3.493 0.030 2 46 10 10 PRO HG2 H 1.496 0.030 2 47 10 10 PRO HG3 H 1.694 0.030 2 48 10 10 PRO C C 176.542 0.300 1 49 10 10 PRO CA C 63.392 0.300 1 50 10 10 PRO CB C 32.297 0.300 1 51 10 10 PRO CD C 50.048 0.300 1 52 10 10 PRO CG C 26.501 0.300 1 53 11 11 TYR H H 7.766 0.030 1 54 11 11 TYR HA H 4.523 0.030 1 55 11 11 TYR HB2 H 2.908 0.030 2 56 11 11 TYR HB3 H 2.784 0.030 2 57 11 11 TYR HD1 H 6.997 0.030 1 58 11 11 TYR HD2 H 6.997 0.030 1 59 11 11 TYR HE1 H 6.905 0.030 1 60 11 11 TYR HE2 H 6.905 0.030 1 61 11 11 TYR C C 174.276 0.300 1 62 11 11 TYR CA C 58.052 0.300 1 63 11 11 TYR CB C 38.185 0.300 1 64 11 11 TYR CD1 C 133.361 0.300 1 65 11 11 TYR CD2 C 133.361 0.300 1 66 11 11 TYR CE1 C 118.479 0.300 1 67 11 11 TYR CE2 C 118.479 0.300 1 68 11 11 TYR N N 118.946 0.300 1 69 12 12 VAL H H 8.434 0.030 1 70 12 12 VAL HA H 4.510 0.030 1 71 12 12 VAL HB H 1.774 0.030 1 72 12 12 VAL HG1 H 0.739 0.030 1 73 12 12 VAL HG2 H 0.661 0.030 1 74 12 12 VAL C C 175.589 0.300 1 75 12 12 VAL CA C 61.266 0.300 1 76 12 12 VAL CB C 34.474 0.300 1 77 12 12 VAL CG1 C 21.284 0.300 2 78 12 12 VAL CG2 C 20.868 0.300 2 79 12 12 VAL N N 125.129 0.300 1 80 13 13 CYS H H 9.288 0.030 1 81 13 13 CYS HA H 4.486 0.030 1 82 13 13 CYS HB2 H 2.860 0.030 2 83 13 13 CYS HB3 H 3.357 0.030 2 84 13 13 CYS C C 177.453 0.300 1 85 13 13 CYS CA C 59.913 0.300 1 86 13 13 CYS CB C 29.670 0.300 1 87 13 13 CYS N N 129.949 0.300 1 88 14 14 SER H H 9.359 0.030 1 89 14 14 SER HA H 4.194 0.030 1 90 14 14 SER HB2 H 3.974 0.030 2 91 14 14 SER HB3 H 3.914 0.030 2 92 14 14 SER C C 174.334 0.300 1 93 14 14 SER CA C 61.015 0.300 1 94 14 14 SER CB C 63.031 0.300 1 95 14 14 SER N N 128.692 0.300 1 96 15 15 ASP H H 8.616 0.030 1 97 15 15 ASP HA H 4.495 0.030 1 98 15 15 ASP HB2 H 1.769 0.030 2 99 15 15 ASP HB3 H 1.679 0.030 2 100 15 15 ASP C C 176.945 0.300 1 101 15 15 ASP CA C 56.927 0.300 1 102 15 15 ASP CB C 41.300 0.300 1 103 15 15 ASP N N 122.842 0.300 1 104 16 16 CYS H H 7.880 0.030 1 105 16 16 CYS HA H 5.095 0.030 1 106 16 16 CYS HB2 H 2.806 0.030 2 107 16 16 CYS HB3 H 3.363 0.030 2 108 16 16 CYS C C 176.300 0.300 1 109 16 16 CYS CA C 58.641 0.300 1 110 16 16 CYS CB C 32.470 0.300 1 111 16 16 CYS N N 114.753 0.300 1 112 17 17 GLY H H 8.180 0.030 1 113 17 17 GLY HA2 H 3.657 0.030 2 114 17 17 GLY HA3 H 4.150 0.030 2 115 17 17 GLY C C 173.556 0.300 1 116 17 17 GLY CA C 46.062 0.300 1 117 17 17 GLY N N 113.552 0.300 1 118 18 18 LYS H H 7.992 0.030 1 119 18 18 LYS HA H 3.843 0.030 1 120 18 18 LYS HB2 H 1.110 0.030 2 121 18 18 LYS HB3 H 1.373 0.030 2 122 18 18 LYS HD2 H 1.461 0.030 2 123 18 18 LYS HD3 H 1.380 0.030 2 124 18 18 LYS HE2 H 2.905 0.030 2 125 18 18 LYS HE3 H 2.834 0.030 2 126 18 18 LYS HG2 H 1.284 0.030 2 127 18 18 LYS HG3 H 0.964 0.030 2 128 18 18 LYS C C 173.383 0.300 1 129 18 18 LYS CA C 58.362 0.300 1 130 18 18 LYS CB C 33.336 0.300 1 131 18 18 LYS CD C 29.235 0.300 1 132 18 18 LYS CE C 42.111 0.300 1 133 18 18 LYS CG C 26.208 0.300 1 134 18 18 LYS N N 123.588 0.300 1 135 19 19 ALA H H 7.646 0.030 1 136 19 19 ALA HA H 5.124 0.030 1 137 19 19 ALA HB H 1.145 0.030 1 138 19 19 ALA C C 176.333 0.300 1 139 19 19 ALA CA C 50.076 0.300 1 140 19 19 ALA CB C 22.792 0.300 1 141 19 19 ALA N N 124.673 0.300 1 142 20 20 PHE H H 8.857 0.030 1 143 20 20 PHE HA H 4.653 0.030 1 144 20 20 PHE HB2 H 2.621 0.030 2 145 20 20 PHE HB3 H 3.531 0.030 2 146 20 20 PHE HD1 H 7.147 0.030 1 147 20 20 PHE HD2 H 7.147 0.030 1 148 20 20 PHE HE1 H 6.782 0.030 1 149 20 20 PHE HE2 H 6.782 0.030 1 150 20 20 PHE HZ H 6.217 0.030 1 151 20 20 PHE C C 175.110 0.300 1 152 20 20 PHE CA C 57.317 0.300 1 153 20 20 PHE CB C 43.327 0.300 1 154 20 20 PHE CD1 C 132.563 0.300 1 155 20 20 PHE CD2 C 132.563 0.300 1 156 20 20 PHE CE1 C 130.379 0.300 1 157 20 20 PHE CE2 C 130.379 0.300 1 158 20 20 PHE CZ C 128.461 0.300 1 159 20 20 PHE N N 117.387 0.300 1 160 21 21 THR H H 8.729 0.030 1 161 21 21 THR HA H 4.005 0.030 1 162 21 21 THR HB H 3.704 0.030 1 163 21 21 THR HG2 H 0.517 0.030 1 164 21 21 THR C C 173.500 0.300 1 165 21 21 THR CA C 66.328 0.300 1 166 21 21 THR CB C 69.605 0.300 1 167 21 21 THR CG2 C 21.877 0.300 1 168 21 21 THR N N 118.703 0.300 1 169 22 22 PHE H H 7.767 0.030 1 170 22 22 PHE HA H 5.093 0.030 1 171 22 22 PHE HB2 H 2.471 0.030 2 172 22 22 PHE HB3 H 3.368 0.030 2 173 22 22 PHE HD1 H 7.284 0.030 1 174 22 22 PHE HD2 H 7.284 0.030 1 175 22 22 PHE HE1 H 7.366 0.030 1 176 22 22 PHE HE2 H 7.366 0.030 1 177 22 22 PHE HZ H 7.308 0.030 1 178 22 22 PHE C C 176.290 0.300 1 179 22 22 PHE CA C 55.753 0.300 1 180 22 22 PHE CB C 42.016 0.300 1 181 22 22 PHE CD1 C 131.856 0.300 1 182 22 22 PHE CD2 C 131.856 0.300 1 183 22 22 PHE CE1 C 131.573 0.300 1 184 22 22 PHE CE2 C 131.573 0.300 1 185 22 22 PHE CZ C 130.210 0.300 1 186 22 22 PHE N N 114.810 0.300 1 187 23 23 LYS H H 8.496 0.030 1 188 23 23 LYS HA H 2.922 0.030 1 189 23 23 LYS HB2 H 0.871 0.030 2 190 23 23 LYS HB3 H 1.435 0.030 2 191 23 23 LYS HD2 H 1.555 0.030 2 192 23 23 LYS HD3 H 1.518 0.030 2 193 23 23 LYS HE2 H 2.904 0.030 2 194 23 23 LYS HE3 H 2.832 0.030 2 195 23 23 LYS HG2 H 0.988 0.030 2 196 23 23 LYS HG3 H 1.199 0.030 2 197 23 23 LYS C C 178.191 0.300 1 198 23 23 LYS CA C 59.444 0.300 1 199 23 23 LYS CB C 31.569 0.300 1 200 23 23 LYS CD C 29.222 0.300 1 201 23 23 LYS CE C 42.174 0.300 1 202 23 23 LYS CG C 24.891 0.300 1 203 23 23 LYS N N 127.716 0.300 1 204 24 24 SER H H 8.519 0.030 1 205 24 24 SER HA H 3.838 0.030 1 206 24 24 SER HB2 H 3.756 0.030 1 207 24 24 SER HB3 H 3.756 0.030 1 208 24 24 SER C C 176.778 0.300 1 209 24 24 SER CA C 60.910 0.300 1 210 24 24 SER CB C 61.337 0.300 1 211 24 24 SER N N 111.904 0.300 1 212 25 25 GLN H H 6.829 0.030 1 213 25 25 GLN HA H 3.894 0.030 1 214 25 25 GLN HB2 H 1.959 0.030 2 215 25 25 GLN HB3 H 2.618 0.030 2 216 25 25 GLN HE21 H 7.234 0.030 2 217 25 25 GLN HE22 H 7.708 0.030 2 218 25 25 GLN HG2 H 2.504 0.030 2 219 25 25 GLN HG3 H 2.420 0.030 2 220 25 25 GLN C C 178.758 0.300 1 221 25 25 GLN CA C 57.499 0.300 1 222 25 25 GLN CB C 28.839 0.300 1 223 25 25 GLN CG C 34.541 0.300 1 224 25 25 GLN N N 119.416 0.300 1 225 25 25 GLN NE2 N 112.237 0.300 1 226 26 26 LEU H H 6.900 0.030 1 227 26 26 LEU HA H 3.218 0.030 1 228 26 26 LEU HB2 H 1.227 0.030 2 229 26 26 LEU HB3 H 2.026 0.030 2 230 26 26 LEU HD1 H 1.026 0.030 1 231 26 26 LEU HD2 H 0.969 0.030 1 232 26 26 LEU HG H 1.489 0.030 1 233 26 26 LEU C C 177.322 0.300 1 234 26 26 LEU CA C 57.675 0.300 1 235 26 26 LEU CB C 40.250 0.300 1 236 26 26 LEU CD1 C 22.657 0.300 2 237 26 26 LEU CD2 C 26.528 0.300 2 238 26 26 LEU CG C 27.436 0.300 1 239 26 26 LEU N N 122.040 0.300 1 240 27 27 ILE H H 7.967 0.030 1 241 27 27 ILE HA H 3.683 0.030 1 242 27 27 ILE HB H 1.718 0.030 1 243 27 27 ILE HD1 H 0.693 0.030 1 244 27 27 ILE HG12 H 1.143 0.030 2 245 27 27 ILE HG13 H 1.459 0.030 2 246 27 27 ILE HG2 H 0.793 0.030 1 247 27 27 ILE C C 179.261 0.300 1 248 27 27 ILE CA C 64.506 0.300 1 249 27 27 ILE CB C 37.362 0.300 1 250 27 27 ILE CD1 C 12.451 0.300 1 251 27 27 ILE CG1 C 28.672 0.300 1 252 27 27 ILE CG2 C 17.100 0.300 1 253 27 27 ILE N N 118.724 0.300 1 254 28 28 VAL H H 7.247 0.030 1 255 28 28 VAL HA H 3.569 0.030 1 256 28 28 VAL HB H 1.858 0.030 1 257 28 28 VAL HG1 H 0.865 0.030 1 258 28 28 VAL HG2 H 0.990 0.030 1 259 28 28 VAL C C 179.175 0.300 1 260 28 28 VAL CA C 66.301 0.300 1 261 28 28 VAL CB C 32.097 0.300 1 262 28 28 VAL CG1 C 20.993 0.300 2 263 28 28 VAL CG2 C 22.630 0.300 2 264 28 28 VAL N N 118.810 0.300 1 265 29 29 HIS H H 7.552 0.030 1 266 29 29 HIS HA H 4.109 0.030 1 267 29 29 HIS HB2 H 2.813 0.030 2 268 29 29 HIS HB3 H 3.129 0.030 2 269 29 29 HIS HD2 H 6.975 0.030 1 270 29 29 HIS HE1 H 7.984 0.030 1 271 29 29 HIS C C 175.916 0.300 1 272 29 29 HIS CA C 59.370 0.300 1 273 29 29 HIS CB C 28.596 0.300 1 274 29 29 HIS CD2 C 127.224 0.300 1 275 29 29 HIS CE1 C 139.493 0.300 1 276 29 29 HIS N N 120.366 0.300 1 277 30 30 GLN H H 8.437 0.030 1 278 30 30 GLN HA H 3.714 0.030 1 279 30 30 GLN HB2 H 2.138 0.030 2 280 30 30 GLN HB3 H 2.297 0.030 2 281 30 30 GLN HE21 H 7.574 0.030 2 282 30 30 GLN HE22 H 6.813 0.030 2 283 30 30 GLN HG2 H 2.820 0.030 2 284 30 30 GLN HG3 H 2.759 0.030 2 285 30 30 GLN C C 177.902 0.300 1 286 30 30 GLN CA C 59.344 0.300 1 287 30 30 GLN CB C 28.168 0.300 1 288 30 30 GLN CG C 35.400 0.300 1 289 30 30 GLN N N 115.477 0.300 1 290 30 30 GLN NE2 N 111.598 0.300 1 291 31 31 GLY H H 7.466 0.030 1 292 31 31 GLY HA2 H 3.969 0.030 2 293 31 31 GLY HA3 H 3.850 0.030 2 294 31 31 GLY C C 175.915 0.300 1 295 31 31 GLY CA C 46.630 0.300 1 296 31 31 GLY N N 105.808 0.300 1 297 32 32 ILE H H 7.806 0.030 1 298 32 32 ILE HA H 4.000 0.030 1 299 32 32 ILE HB H 1.620 0.030 1 300 32 32 ILE HD1 H 0.634 0.030 1 301 32 32 ILE HG12 H 0.851 0.030 2 302 32 32 ILE HG13 H 0.619 0.030 2 303 32 32 ILE HG2 H 0.513 0.030 1 304 32 32 ILE C C 177.427 0.300 1 305 32 32 ILE CA C 62.775 0.300 1 306 32 32 ILE CB C 37.641 0.300 1 307 32 32 ILE CD1 C 14.473 0.300 1 308 32 32 ILE CG1 C 26.442 0.300 1 309 32 32 ILE CG2 C 16.415 0.300 1 310 32 32 ILE N N 117.910 0.300 1 311 33 33 HIS H H 7.263 0.030 1 312 33 33 HIS HA H 4.807 0.030 1 313 33 33 HIS HB2 H 3.206 0.030 1 314 33 33 HIS HB3 H 3.206 0.030 1 315 33 33 HIS HD2 H 6.798 0.030 1 316 33 33 HIS HE1 H 7.979 0.030 1 317 33 33 HIS C C 175.667 0.300 1 318 33 33 HIS CA C 55.199 0.300 1 319 33 33 HIS CB C 28.669 0.300 1 320 33 33 HIS CD2 C 128.225 0.300 1 321 33 33 HIS CE1 C 139.837 0.300 1 322 33 33 HIS N N 118.200 0.300 1 323 34 34 THR H H 7.742 0.030 1 324 34 34 THR HA H 4.299 0.030 1 325 34 34 THR HB H 4.253 0.030 1 326 34 34 THR HG2 H 1.184 0.030 1 327 34 34 THR C C 175.347 0.300 1 328 34 34 THR CA C 62.279 0.300 1 329 34 34 THR CB C 69.771 0.300 1 330 34 34 THR CG2 C 21.555 0.300 1 331 34 34 THR N N 111.663 0.300 1 332 35 35 GLY H H 8.208 0.030 1 333 35 35 GLY HA2 H 3.956 0.030 1 334 35 35 GLY HA3 H 3.956 0.030 1 335 35 35 GLY C C 174.200 0.300 1 336 35 35 GLY CA C 45.464 0.300 1 337 35 35 GLY N N 110.990 0.300 1 338 36 36 VAL H H 7.948 0.030 1 339 36 36 VAL HA H 4.124 0.030 1 340 36 36 VAL HB H 2.031 0.030 1 341 36 36 VAL HG1 H 0.857 0.030 1 342 36 36 VAL HG2 H 0.857 0.030 1 343 36 36 VAL C C 176.269 0.300 1 344 36 36 VAL CA C 62.268 0.300 1 345 36 36 VAL CB C 32.701 0.300 1 346 36 36 VAL CG1 C 20.327 0.300 1 347 36 36 VAL CG2 C 20.327 0.300 1 348 36 36 VAL N N 119.178 0.300 1 349 37 37 SER H H 8.363 0.030 1 350 37 37 SER HA H 4.451 0.030 1 351 37 37 SER HB2 H 3.847 0.030 2 352 37 37 SER HB3 H 3.793 0.030 2 353 37 37 SER C C 174.469 0.300 1 354 37 37 SER CA C 58.264 0.300 1 355 37 37 SER CB C 64.029 0.300 1 356 37 37 SER N N 119.506 0.300 1 357 38 38 GLY H H 8.206 0.030 1 358 38 38 GLY HA2 H 4.113 0.030 2 359 38 38 GLY HA3 H 4.011 0.030 2 360 38 38 GLY C C 171.689 0.300 1 361 38 38 GLY CA C 44.602 0.300 1 362 38 38 GLY N N 110.830 0.300 1 363 39 39 PRO HA H 4.416 0.030 1 364 39 39 PRO HB2 H 2.233 0.030 1 365 39 39 PRO HB3 H 2.233 0.030 1 366 39 39 PRO HD2 H 3.566 0.030 1 367 39 39 PRO HD3 H 3.566 0.030 1 368 39 39 PRO HG2 H 1.957 0.030 1 369 39 39 PRO HG3 H 1.957 0.030 1 370 39 39 PRO C C 177.347 0.300 1 371 39 39 PRO CA C 63.184 0.300 1 372 39 39 PRO CB C 32.171 0.300 1 373 39 39 PRO CD C 49.787 0.300 1 374 39 39 PRO CG C 27.105 0.300 1 375 40 40 SER H H 8.503 0.030 1 376 40 40 SER HA H 4.455 0.030 1 377 40 40 SER HB2 H 3.854 0.030 2 378 40 40 SER HB3 H 3.798 0.030 2 379 40 40 SER C C 174.649 0.300 1 380 40 40 SER CA C 58.366 0.300 1 381 40 40 SER CB C 63.806 0.300 1 382 40 40 SER N N 116.420 0.300 1 383 41 41 SER H H 8.301 0.030 1 384 41 41 SER HA H 4.452 0.030 1 385 41 41 SER HB2 H 3.859 0.030 1 386 41 41 SER HB3 H 3.859 0.030 1 387 41 41 SER C C 173.899 0.300 1 388 41 41 SER CA C 58.385 0.300 1 389 41 41 SER CB C 64.120 0.300 1 390 41 41 SER N N 117.874 0.300 1 391 42 42 GLY H H 8.023 0.030 1 392 42 42 GLY C C 178.959 0.300 1 393 42 42 GLY CA C 46.224 0.300 1 394 42 42 GLY N N 116.853 0.300 1 stop_ save_