data_11416 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of C2H2 type Zinc finger domain 5 in Zinc finger protein 32 ; _BMRB_accession_number 11416 _BMRB_flat_file_name bmr11416.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 Kasahara N. . . 2 Tsuda K. . . 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" 190 "13C chemical shifts" 137 "15N chemical shifts" 31 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 C2H2 type Zinc finger domain 5 in Zinc finger protein 32' _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 Kasahara N. . . 2 Tsuda K. . . 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 32' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc-finger motif' $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 motif' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GSSGSSGGEKPYRCDQCGKA FSQKGSLIVHIRVHTGSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 GLU 10 LYS 11 PRO 12 TYR 13 ARG 14 CYS 15 ASP 16 GLN 17 CYS 18 GLY 19 LYS 20 ALA 21 PHE 22 SER 23 GLN 24 LYS 25 GLY 26 SER 27 LEU 28 ILE 29 VAL 30 HIS 31 ILE 32 ARG 33 VAL 34 HIS 35 THR 36 GLY 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 2YTB "Solution Structure Of C2h2 Type Zinc Finger Domain 5 In Zinc Finger Protein 32" 100.00 42 100.00 100.00 1.10e-19 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 P061204-06 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20mM d-Tris-HCl(pH7.0), 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 . mM . 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 'Jonson 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 'Gutert 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_ _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 'zinc-finger motif' _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 3.926 0.030 1 2 7 7 GLY HA3 H 3.926 0.030 1 3 7 7 GLY C C 174.595 0.300 1 4 7 7 GLY CA C 45.482 0.300 1 5 8 8 GLY H H 8.184 0.030 1 6 8 8 GLY HA2 H 3.873 0.030 1 7 8 8 GLY HA3 H 3.873 0.030 1 8 8 8 GLY C C 174.069 0.300 1 9 8 8 GLY CA C 44.951 0.300 1 10 8 8 GLY N N 108.550 0.300 1 11 9 9 GLU H H 8.352 0.030 1 12 9 9 GLU HA H 4.112 0.030 1 13 9 9 GLU HB2 H 1.851 0.030 2 14 9 9 GLU HB3 H 1.907 0.030 2 15 9 9 GLU HG2 H 2.197 0.030 2 16 9 9 GLU HG3 H 2.166 0.030 2 17 9 9 GLU C C 176.601 0.300 1 18 9 9 GLU CA C 56.930 0.300 1 19 9 9 GLU CB C 30.185 0.300 1 20 9 9 GLU CG C 36.178 0.300 1 21 9 9 GLU N N 120.324 0.300 1 22 10 10 LYS H H 8.330 0.030 1 23 10 10 LYS HA H 4.401 0.030 1 24 10 10 LYS HB2 H 1.502 0.030 2 25 10 10 LYS HB3 H 1.311 0.030 2 26 10 10 LYS HD2 H 1.471 0.030 2 27 10 10 LYS HD3 H 1.512 0.030 2 28 10 10 LYS HE2 H 2.896 0.030 1 29 10 10 LYS HE3 H 2.896 0.030 1 30 10 10 LYS HG2 H 1.253 0.030 2 31 10 10 LYS HG3 H 1.102 0.030 2 32 10 10 LYS CA C 53.796 0.300 1 33 10 10 LYS CB C 33.154 0.300 1 34 10 10 LYS CD C 29.115 0.300 1 35 10 10 LYS CE C 42.090 0.300 1 36 10 10 LYS CG C 24.850 0.300 1 37 10 10 LYS N N 121.722 0.300 1 38 11 11 PRO HA H 4.190 0.030 1 39 11 11 PRO HB2 H 1.951 0.030 2 40 11 11 PRO HB3 H 1.099 0.030 2 41 11 11 PRO HD2 H 3.555 0.030 1 42 11 11 PRO HD3 H 3.555 0.030 1 43 11 11 PRO HG2 H 1.434 0.030 2 44 11 11 PRO HG3 H 1.709 0.030 2 45 11 11 PRO C C 176.458 0.300 1 46 11 11 PRO CA C 63.461 0.300 1 47 11 11 PRO CB C 32.268 0.300 1 48 11 11 PRO CD C 50.252 0.300 1 49 11 11 PRO CG C 26.493 0.300 1 50 12 12 TYR H H 7.675 0.030 1 51 12 12 TYR HA H 4.614 0.030 1 52 12 12 TYR HB2 H 2.935 0.030 2 53 12 12 TYR HB3 H 2.787 0.030 2 54 12 12 TYR HD1 H 6.956 0.030 1 55 12 12 TYR HD2 H 6.956 0.030 1 56 12 12 TYR HE1 H 6.834 0.030 1 57 12 12 TYR HE2 H 6.834 0.030 1 58 12 12 TYR C C 174.332 0.300 1 59 12 12 TYR CA C 57.402 0.300 1 60 12 12 TYR CB C 38.182 0.300 1 61 12 12 TYR CD1 C 133.148 0.300 1 62 12 12 TYR CD2 C 133.148 0.300 1 63 12 12 TYR CE1 C 118.435 0.300 1 64 12 12 TYR CE2 C 118.435 0.300 1 65 12 12 TYR N N 118.245 0.300 1 66 13 13 ARG H H 8.626 0.030 1 67 13 13 ARG HA H 4.979 0.030 1 68 13 13 ARG HB2 H 1.589 0.030 2 69 13 13 ARG HB3 H 1.546 0.030 2 70 13 13 ARG HD2 H 3.063 0.030 1 71 13 13 ARG HD3 H 3.063 0.030 1 72 13 13 ARG HG2 H 1.298 0.030 1 73 13 13 ARG HG3 H 1.298 0.030 1 74 13 13 ARG C C 174.858 0.300 1 75 13 13 ARG CA C 54.750 0.300 1 76 13 13 ARG CB C 33.214 0.300 1 77 13 13 ARG CD C 43.305 0.300 1 78 13 13 ARG CG C 27.479 0.300 1 79 13 13 ARG N N 124.872 0.300 1 80 14 14 CYS H H 9.148 0.030 1 81 14 14 CYS HA H 4.473 0.030 1 82 14 14 CYS HB2 H 3.338 0.030 2 83 14 14 CYS HB3 H 2.806 0.030 2 84 14 14 CYS C C 176.983 0.300 1 85 14 14 CYS CA C 59.494 0.300 1 86 14 14 CYS CB C 29.827 0.300 1 87 14 14 CYS N N 127.230 0.300 1 88 15 15 ASP H H 9.232 0.030 1 89 15 15 ASP HA H 4.418 0.030 1 90 15 15 ASP HB2 H 2.702 0.030 1 91 15 15 ASP HB3 H 2.702 0.030 1 92 15 15 ASP C C 176.434 0.300 1 93 15 15 ASP CA C 56.312 0.300 1 94 15 15 ASP CB C 40.734 0.300 1 95 15 15 ASP N N 131.327 0.300 1 96 16 16 GLN H H 8.815 0.030 1 97 16 16 GLN HA H 4.156 0.030 1 98 16 16 GLN HB2 H 1.260 0.030 2 99 16 16 GLN HB3 H 1.351 0.030 2 100 16 16 GLN HE21 H 7.501 0.030 2 101 16 16 GLN HE22 H 6.780 0.030 2 102 16 16 GLN HG2 H 2.084 0.030 2 103 16 16 GLN HG3 H 1.951 0.030 2 104 16 16 GLN C C 176.864 0.300 1 105 16 16 GLN CA C 58.045 0.300 1 106 16 16 GLN CB C 28.865 0.300 1 107 16 16 GLN CG C 34.076 0.300 1 108 16 16 GLN N N 120.082 0.300 1 109 16 16 GLN NE2 N 111.998 0.300 1 110 17 17 CYS H H 8.069 0.030 1 111 17 17 CYS HA H 5.111 0.030 1 112 17 17 CYS HB2 H 3.366 0.030 2 113 17 17 CYS HB3 H 2.784 0.030 2 114 17 17 CYS C C 176.171 0.300 1 115 17 17 CYS CA C 58.392 0.300 1 116 17 17 CYS CB C 32.407 0.300 1 117 17 17 CYS N N 115.749 0.300 1 118 18 18 GLY H H 8.105 0.030 1 119 18 18 GLY HA2 H 4.173 0.030 2 120 18 18 GLY HA3 H 3.732 0.030 2 121 18 18 GLY C C 173.687 0.300 1 122 18 18 GLY CA C 46.073 0.300 1 123 18 18 GLY N N 113.403 0.300 1 124 19 19 LYS H H 7.990 0.030 1 125 19 19 LYS HA H 3.846 0.030 1 126 19 19 LYS HB2 H 1.355 0.030 2 127 19 19 LYS HB3 H 1.086 0.030 2 128 19 19 LYS HD2 H 1.387 0.030 2 129 19 19 LYS HD3 H 1.436 0.030 2 130 19 19 LYS HE2 H 2.854 0.030 2 131 19 19 LYS HG2 H 0.950 0.030 2 132 19 19 LYS HG3 H 1.290 0.030 2 133 19 19 LYS C C 173.687 0.300 1 134 19 19 LYS CA C 58.388 0.300 1 135 19 19 LYS CB C 33.420 0.300 1 136 19 19 LYS CD C 29.519 0.300 1 137 19 19 LYS CE C 42.298 0.300 1 138 19 19 LYS CG C 26.118 0.300 1 139 19 19 LYS N N 123.614 0.300 1 140 20 20 ALA H H 7.747 0.030 1 141 20 20 ALA HA H 5.097 0.030 1 142 20 20 ALA HB H 1.141 0.030 1 143 20 20 ALA C C 176.028 0.300 1 144 20 20 ALA CA C 50.296 0.300 1 145 20 20 ALA CB C 22.276 0.300 1 146 20 20 ALA N N 124.347 0.300 1 147 21 21 PHE H H 8.739 0.030 1 148 21 21 PHE HA H 4.705 0.030 1 149 21 21 PHE HB2 H 2.642 0.030 2 150 21 21 PHE HB3 H 3.383 0.030 2 151 21 21 PHE HD1 H 7.175 0.030 1 152 21 21 PHE HD2 H 7.175 0.030 1 153 21 21 PHE HE1 H 6.814 0.030 1 154 21 21 PHE HE2 H 6.814 0.030 1 155 21 21 PHE HZ H 6.310 0.030 1 156 21 21 PHE CA C 57.083 0.300 1 157 21 21 PHE CB C 43.826 0.300 1 158 21 21 PHE CD1 C 132.029 0.300 1 159 21 21 PHE CD2 C 132.029 0.300 1 160 21 21 PHE CE1 C 130.421 0.300 1 161 21 21 PHE CE2 C 130.421 0.300 1 162 21 21 PHE CZ C 128.684 0.300 1 163 21 21 PHE N N 116.668 0.300 1 164 22 22 SER H H 9.130 0.030 1 165 22 22 SER HA H 4.639 0.030 1 166 22 22 SER HB2 H 4.087 0.030 2 167 22 22 SER HB3 H 4.028 0.030 2 168 22 22 SER C C 173.950 0.300 1 169 22 22 SER CA C 60.404 0.300 1 170 22 22 SER CB C 64.028 0.300 1 171 23 23 GLN H H 7.572 0.030 1 172 23 23 GLN HA H 4.743 0.030 1 173 23 23 GLN HB2 H 2.171 0.030 2 174 23 23 GLN HB3 H 1.944 0.030 2 175 23 23 GLN HE21 H 7.513 0.030 2 176 23 23 GLN HE22 H 6.912 0.030 2 177 23 23 GLN HG2 H 2.390 0.030 1 178 23 23 GLN HG3 H 2.390 0.030 1 179 23 23 GLN C C 175.741 0.300 1 180 23 23 GLN CA C 53.961 0.300 1 181 23 23 GLN CB C 31.382 0.300 1 182 23 23 GLN CG C 33.481 0.300 1 183 23 23 GLN N N 116.818 0.300 1 184 23 23 GLN NE2 N 112.625 0.300 1 185 24 24 LYS H H 8.497 0.030 1 186 24 24 LYS HA H 2.906 0.030 1 187 24 24 LYS HB2 H 1.366 0.030 2 188 24 24 LYS HB3 H 0.926 0.030 2 189 24 24 LYS HD2 H 1.415 0.030 2 190 24 24 LYS HD3 H 1.341 0.030 2 191 24 24 LYS HE2 H 2.800 0.030 2 192 24 24 LYS HE3 H 2.855 0.030 2 193 24 24 LYS HG2 H 0.925 0.030 2 194 24 24 LYS HG3 H 1.102 0.030 2 195 24 24 LYS C C 178.750 0.300 1 196 24 24 LYS CA C 59.300 0.300 1 197 24 24 LYS CB C 31.760 0.300 1 198 24 24 LYS CD C 29.209 0.300 1 199 24 24 LYS CE C 41.855 0.300 1 200 24 24 LYS CG C 24.849 0.300 1 201 24 24 LYS N N 126.530 0.300 1 202 25 25 GLY H H 8.811 0.030 1 203 25 25 GLY HA2 H 3.779 0.030 2 204 25 25 GLY HA3 H 3.590 0.030 2 205 25 25 GLY C C 176.505 0.300 1 206 25 25 GLY CA C 46.985 0.300 1 207 25 25 GLY N N 104.945 0.300 1 208 26 26 SER H H 6.915 0.030 1 209 26 26 SER HA H 4.091 0.030 1 210 26 26 SER HB2 H 3.882 0.030 2 211 26 26 SER HB3 H 3.797 0.030 2 212 26 26 SER C C 176.052 0.300 1 213 26 26 SER CA C 60.608 0.300 1 214 26 26 SER CB C 62.494 0.300 1 215 26 26 SER N N 115.072 0.300 1 216 27 27 LEU H H 6.850 0.030 1 217 27 27 LEU HA H 3.225 0.030 1 218 27 27 LEU HB2 H 2.024 0.030 2 219 27 27 LEU HB3 H 1.151 0.030 2 220 27 27 LEU HD1 H 0.952 0.030 1 221 27 27 LEU HD2 H 0.951 0.030 1 222 27 27 LEU HG H 1.517 0.030 1 223 27 27 LEU C C 176.864 0.300 1 224 27 27 LEU CA C 57.736 0.300 1 225 27 27 LEU CB C 40.221 0.300 1 226 27 27 LEU CD1 C 26.079 0.300 2 227 27 27 LEU CD2 C 22.886 0.300 2 228 27 27 LEU CG C 27.397 0.300 1 229 27 27 LEU N N 124.317 0.300 1 230 28 28 ILE H H 7.740 0.030 1 231 28 28 ILE HA H 3.490 0.030 1 232 28 28 ILE HB H 1.816 0.030 1 233 28 28 ILE HD1 H 0.701 0.030 1 234 28 28 ILE HG12 H 1.461 0.030 2 235 28 28 ILE HG13 H 1.180 0.030 2 236 28 28 ILE HG2 H 0.792 0.030 1 237 28 28 ILE C C 178.320 0.300 1 238 28 28 ILE CA C 64.718 0.300 1 239 28 28 ILE CB C 37.215 0.300 1 240 28 28 ILE CD1 C 12.146 0.300 1 241 28 28 ILE CG1 C 28.667 0.300 1 242 28 28 ILE CG2 C 17.082 0.300 1 243 28 28 ILE N N 118.322 0.300 1 244 29 29 VAL H H 7.140 0.030 1 245 29 29 VAL HA H 3.476 0.030 1 246 29 29 VAL HB H 1.836 0.030 1 247 29 29 VAL HG1 H 0.942 0.030 1 248 29 29 VAL HG2 H 0.842 0.030 1 249 29 29 VAL C C 178.249 0.300 1 250 29 29 VAL CA C 66.198 0.300 1 251 29 29 VAL CB C 32.116 0.300 1 252 29 29 VAL CG1 C 22.466 0.300 2 253 29 29 VAL CG2 C 21.067 0.300 2 254 29 29 VAL N N 117.435 0.300 1 255 30 30 HIS H H 7.423 0.030 1 256 30 30 HIS HA H 4.129 0.030 1 257 30 30 HIS HB2 H 3.154 0.030 2 258 30 30 HIS HB3 H 2.851 0.030 2 259 30 30 HIS HD2 H 6.949 0.030 1 260 30 30 HIS HE1 H 7.968 0.030 1 261 30 30 HIS C C 176.529 0.300 1 262 30 30 HIS CA C 59.517 0.300 1 263 30 30 HIS CB C 28.794 0.300 1 264 30 30 HIS CD2 C 127.365 0.300 1 265 30 30 HIS CE1 C 140.041 0.300 1 266 30 30 HIS N N 119.896 0.300 1 267 31 31 ILE H H 8.274 0.030 1 268 31 31 ILE HA H 3.481 0.030 1 269 31 31 ILE HB H 1.986 0.030 1 270 31 31 ILE HD1 H 0.932 0.030 1 271 31 31 ILE HG12 H 1.727 0.030 2 272 31 31 ILE HG13 H 1.520 0.030 2 273 31 31 ILE HG2 H 1.149 0.030 1 274 31 31 ILE C C 177.461 0.300 1 275 31 31 ILE CA C 65.624 0.300 1 276 31 31 ILE CB C 38.099 0.300 1 277 31 31 ILE CD1 C 14.109 0.300 1 278 31 31 ILE CG1 C 28.833 0.300 1 279 31 31 ILE CG2 C 18.062 0.300 1 280 31 31 ILE N N 115.102 0.300 1 281 32 32 ARG H H 7.042 0.030 1 282 32 32 ARG HA H 4.452 0.030 1 283 32 32 ARG HB2 H 1.845 0.030 2 284 32 32 ARG HB3 H 1.729 0.030 2 285 32 32 ARG HD2 H 3.130 0.030 1 286 32 32 ARG HD3 H 3.130 0.030 1 287 32 32 ARG HG2 H 1.788 0.030 2 288 32 32 ARG HG3 H 1.586 0.030 2 289 32 32 ARG C C 178.798 0.300 1 290 32 32 ARG CA C 58.657 0.300 1 291 32 32 ARG CB C 29.968 0.300 1 292 32 32 ARG CD C 43.777 0.300 1 293 32 32 ARG CG C 27.632 0.300 1 294 32 32 ARG N N 118.652 0.300 1 295 33 33 VAL H H 8.002 0.030 1 296 33 33 VAL HA H 3.835 0.030 1 297 33 33 VAL HB H 1.893 0.030 1 298 33 33 VAL HG1 H 0.592 0.030 1 299 33 33 VAL HG2 H 0.450 0.030 1 300 33 33 VAL C C 177.508 0.300 1 301 33 33 VAL CA C 64.268 0.300 1 302 33 33 VAL CB C 31.053 0.300 1 303 33 33 VAL CG1 C 19.805 0.300 2 304 33 33 VAL CG2 C 19.565 0.300 2 305 33 33 VAL N N 116.532 0.300 1 306 34 34 HIS H H 7.337 0.030 1 307 34 34 HIS HA H 4.728 0.030 1 308 34 34 HIS HB2 H 3.258 0.030 2 309 34 34 HIS HB3 H 3.195 0.030 2 310 34 34 HIS HD2 H 6.613 0.030 1 311 34 34 HIS HE1 H 7.942 0.030 1 312 34 34 HIS C C 175.813 0.300 1 313 34 34 HIS CA C 55.341 0.300 1 314 34 34 HIS CB C 28.466 0.300 1 315 34 34 HIS CD2 C 127.434 0.300 1 316 34 34 HIS CE1 C 139.810 0.300 1 317 34 34 HIS N N 117.347 0.300 1 318 35 35 THR H H 7.781 0.030 1 319 35 35 THR HA H 4.293 0.030 1 320 35 35 THR HB H 4.252 0.030 1 321 35 35 THR HG2 H 1.191 0.030 1 322 35 35 THR C C 175.359 0.300 1 323 35 35 THR CA C 62.575 0.300 1 324 35 35 THR CB C 69.829 0.300 1 325 35 35 THR CG2 C 21.561 0.300 1 326 35 35 THR N N 112.513 0.300 1 327 36 36 GLY H H 8.300 0.030 1 328 36 36 GLY HA2 H 3.988 0.030 1 329 36 36 GLY HA3 H 3.988 0.030 1 330 36 36 GLY C C 174.213 0.300 1 331 36 36 GLY CA C 45.456 0.300 1 332 36 36 GLY N N 111.182 0.300 1 333 37 37 SER H H 8.197 0.030 1 334 37 37 SER HA H 4.472 0.030 1 335 37 37 SER HB2 H 4.059 0.030 1 336 37 37 SER HB3 H 4.059 0.030 1 337 37 37 SER CA C 58.038 0.300 1 338 37 37 SER CB C 58.499 0.300 1 339 37 37 SER N N 115.460 0.300 1 340 39 39 PRO HA H 4.412 0.030 1 341 39 39 PRO HB2 H 1.916 0.030 2 342 39 39 PRO HB3 H 2.233 0.030 2 343 39 39 PRO HD2 H 3.568 0.030 1 344 39 39 PRO HD3 H 3.568 0.030 1 345 39 39 PRO HG2 H 1.953 0.030 1 346 39 39 PRO HG3 H 1.953 0.030 1 347 39 39 PRO C C 177.341 0.300 1 348 39 39 PRO CA C 63.232 0.300 1 349 39 39 PRO CB C 32.143 0.300 1 350 39 39 PRO CD C 49.735 0.300 1 351 39 39 PRO CG C 27.090 0.300 1 352 40 40 SER H H 8.493 0.030 1 353 40 40 SER HA H 4.470 0.030 1 354 40 40 SER HB2 H 3.829 0.030 1 355 40 40 SER HB3 H 3.829 0.030 1 356 40 40 SER CA C 58.232 0.300 1 357 40 40 SER CB C 63.892 0.300 1 358 40 40 SER N N 116.400 0.300 1 stop_ save_