data_11415 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of C2H2 type Zinc finger domain 3 in Zinc finger protein 32 ; _BMRB_accession_number 11415 _BMRB_flat_file_name bmr11415.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" 196 "13C chemical shifts" 138 "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 C2H2 type Zinc finger domain 3 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 41 _Mol_residue_sequence ; GSSGSSGEKPYQCKECGKSF SQRGSLAVHERLHTGSGPSS G ; 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 GLN 13 CYS 14 LYS 15 GLU 16 CYS 17 GLY 18 LYS 19 SER 20 PHE 21 SER 22 GLN 23 ARG 24 GLY 25 SER 26 LEU 27 ALA 28 VAL 29 HIS 30 GLU 31 ARG 32 LEU 33 HIS 34 THR 35 GLY 36 SER 37 GLY 38 PRO 39 SER 40 SER 41 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 2YTA "Solution Structure Of C2h2 Type Zinc Finger Domain 3 In Zinc Finger Protein 32" 100.00 41 100.00 100.00 1.56e-18 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 P061204-05 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 3.933 0.030 1 2 7 7 GLY HA3 H 3.933 0.030 1 3 7 7 GLY C C 174.021 0.300 1 4 7 7 GLY CA C 45.260 0.300 1 5 8 8 GLU H H 8.194 0.030 1 6 8 8 GLU HA H 4.178 0.030 1 7 8 8 GLU HB2 H 1.893 0.030 2 8 8 8 GLU HB3 H 1.981 0.030 2 9 8 8 GLU HG2 H 2.207 0.030 2 10 8 8 GLU HG3 H 2.254 0.030 2 11 8 8 GLU C C 176.443 0.300 1 12 8 8 GLU CA C 56.853 0.300 1 13 8 8 GLU CB C 30.385 0.300 1 14 8 8 GLU CG C 36.252 0.300 1 15 8 8 GLU N N 120.246 0.300 1 16 9 9 LYS H H 8.303 0.030 1 17 9 9 LYS HA H 4.469 0.030 1 18 9 9 LYS HB2 H 1.581 0.030 2 19 9 9 LYS HB3 H 1.422 0.030 2 20 9 9 LYS HD2 H 1.527 0.030 2 21 9 9 LYS HD3 H 1.456 0.030 2 22 9 9 LYS HE2 H 2.910 0.030 1 23 9 9 LYS HE3 H 2.910 0.030 1 24 9 9 LYS HG2 H 1.307 0.030 2 25 9 9 LYS HG3 H 1.195 0.030 2 26 9 9 LYS CA C 53.862 0.300 1 27 9 9 LYS CB C 32.939 0.300 1 28 9 9 LYS CD C 29.350 0.300 1 29 9 9 LYS CE C 42.207 0.300 1 30 9 9 LYS CG C 24.804 0.300 1 31 9 9 LYS N N 121.879 0.300 1 32 10 10 PRO HA H 4.257 0.030 1 33 10 10 PRO HB2 H 2.001 0.030 2 34 10 10 PRO HB3 H 1.201 0.030 2 35 10 10 PRO HD2 H 3.553 0.030 2 36 10 10 PRO HD3 H 3.592 0.030 2 37 10 10 PRO HG2 H 1.492 0.030 2 38 10 10 PRO HG3 H 1.775 0.030 2 39 10 10 PRO C C 176.202 0.300 1 40 10 10 PRO CA C 63.534 0.300 1 41 10 10 PRO CB C 32.287 0.300 1 42 10 10 PRO CD C 50.314 0.300 1 43 10 10 PRO CG C 26.601 0.300 1 44 11 11 TYR H H 7.792 0.030 1 45 11 11 TYR HA H 4.686 0.030 1 46 11 11 TYR HB2 H 2.998 0.030 2 47 11 11 TYR HB3 H 2.817 0.030 2 48 11 11 TYR HD1 H 6.968 0.030 1 49 11 11 TYR HD2 H 6.968 0.030 1 50 11 11 TYR HE1 H 6.854 0.030 1 51 11 11 TYR HE2 H 6.854 0.030 1 52 11 11 TYR C C 174.424 0.300 1 53 11 11 TYR CA C 57.223 0.300 1 54 11 11 TYR CB C 38.364 0.300 1 55 11 11 TYR CD1 C 132.996 0.300 1 56 11 11 TYR CD2 C 132.996 0.300 1 57 11 11 TYR CE1 C 118.312 0.300 1 58 11 11 TYR CE2 C 118.312 0.300 1 59 11 11 TYR N N 118.306 0.300 1 60 12 12 GLN H H 8.679 0.030 1 61 12 12 GLN HA H 4.996 0.030 1 62 12 12 GLN HB2 H 1.888 0.030 2 63 12 12 GLN HB3 H 1.786 0.030 2 64 12 12 GLN HE21 H 7.541 0.030 2 65 12 12 GLN HE22 H 6.758 0.030 2 66 12 12 GLN HG2 H 2.061 0.030 1 67 12 12 GLN HG3 H 2.061 0.030 1 68 12 12 GLN C C 174.543 0.300 1 69 12 12 GLN CA C 54.622 0.300 1 70 12 12 GLN CB C 31.998 0.300 1 71 12 12 GLN CG C 33.874 0.300 1 72 12 12 GLN N N 124.429 0.300 1 73 12 12 GLN NE2 N 112.017 0.300 1 74 13 13 CYS H H 9.209 0.030 1 75 13 13 CYS HA H 4.606 0.030 1 76 13 13 CYS HB2 H 3.365 0.030 2 77 13 13 CYS HB3 H 2.882 0.030 2 78 13 13 CYS C C 177.601 0.300 1 79 13 13 CYS CA C 59.623 0.300 1 80 13 13 CYS CB C 29.828 0.300 1 81 13 13 CYS N N 127.896 0.300 1 82 14 14 LYS H H 9.404 0.030 1 83 14 14 LYS HA H 4.170 0.030 1 84 14 14 LYS HB2 H 1.948 0.030 1 85 14 14 LYS HB3 H 1.948 0.030 1 86 14 14 LYS HD2 H 1.733 0.030 1 87 14 14 LYS HD3 H 1.733 0.030 1 88 14 14 LYS HE2 H 3.065 0.030 1 89 14 14 LYS HE3 H 3.065 0.030 1 90 14 14 LYS HG2 H 1.583 0.030 1 91 14 14 LYS HG3 H 1.583 0.030 1 92 14 14 LYS C C 176.724 0.300 1 93 14 14 LYS CA C 58.482 0.300 1 94 14 14 LYS CB C 32.256 0.300 1 95 14 14 LYS CD C 29.054 0.300 1 96 14 14 LYS CE C 42.093 0.300 1 97 14 14 LYS CG C 24.713 0.300 1 98 14 14 LYS N N 132.488 0.300 1 99 15 15 GLU H H 8.763 0.030 1 100 15 15 GLU HA H 4.246 0.030 1 101 15 15 GLU HB2 H 1.356 0.030 1 102 15 15 GLU HB3 H 1.356 0.030 1 103 15 15 GLU HG2 H 1.766 0.030 2 104 15 15 GLU HG3 H 1.848 0.030 2 105 15 15 GLU C C 177.269 0.300 1 106 15 15 GLU CA C 58.021 0.300 1 107 15 15 GLU CB C 29.693 0.300 1 108 15 15 GLU CG C 35.265 0.300 1 109 15 15 GLU N N 120.797 0.300 1 110 16 16 CYS H H 8.136 0.030 1 111 16 16 CYS HA H 5.185 0.030 1 112 16 16 CYS HB2 H 3.443 0.030 2 113 16 16 CYS HB3 H 2.825 0.030 2 114 16 16 CYS C C 176.439 0.300 1 115 16 16 CYS CA C 58.375 0.300 1 116 16 16 CYS CB C 32.480 0.300 1 117 16 16 CYS N N 115.204 0.300 1 118 17 17 GLY H H 7.994 0.030 1 119 17 17 GLY HA2 H 4.255 0.030 2 120 17 17 GLY HA3 H 3.816 0.030 2 121 17 17 GLY C C 173.903 0.300 1 122 17 17 GLY CA C 46.202 0.300 1 123 17 17 GLY N N 112.880 0.300 1 124 18 18 LYS H H 8.068 0.030 1 125 18 18 LYS HA H 4.022 0.030 1 126 18 18 LYS HB2 H 1.482 0.030 2 127 18 18 LYS HB3 H 1.232 0.030 2 128 18 18 LYS HD2 H 1.442 0.030 2 129 18 18 LYS HD3 H 1.529 0.030 2 130 18 18 LYS HE2 H 2.903 0.030 2 131 18 18 LYS HE3 H 2.978 0.030 2 132 18 18 LYS HG2 H 1.077 0.030 2 133 18 18 LYS HG3 H 1.419 0.030 2 134 18 18 LYS C C 174.707 0.300 1 135 18 18 LYS CA C 58.380 0.300 1 136 18 18 LYS CB C 33.540 0.300 1 137 18 18 LYS CD C 29.351 0.300 1 138 18 18 LYS CE C 42.191 0.300 1 139 18 18 LYS CG C 26.111 0.300 1 140 18 18 LYS N N 123.903 0.300 1 141 19 19 SER H H 7.926 0.030 1 142 19 19 SER HA H 5.329 0.030 1 143 19 19 SER HB2 H 3.587 0.030 2 144 19 19 SER HB3 H 3.654 0.030 2 145 19 19 SER C C 172.978 0.300 1 146 19 19 SER CA C 57.318 0.300 1 147 19 19 SER CB C 65.756 0.300 1 148 19 19 SER N N 116.783 0.300 1 149 20 20 PHE H H 8.856 0.030 1 150 20 20 PHE HA H 4.748 0.030 1 151 20 20 PHE HB2 H 2.689 0.030 2 152 20 20 PHE HB3 H 3.427 0.030 2 153 20 20 PHE HD1 H 7.221 0.030 1 154 20 20 PHE HD2 H 7.221 0.030 1 155 20 20 PHE HE1 H 6.842 0.030 1 156 20 20 PHE HE2 H 6.842 0.030 1 157 20 20 PHE HZ H 6.335 0.030 1 158 20 20 PHE CA C 57.439 0.300 1 159 20 20 PHE CB C 44.125 0.300 1 160 20 20 PHE CD1 C 132.338 0.300 1 161 20 20 PHE CD2 C 132.338 0.300 1 162 20 20 PHE CE1 C 130.753 0.300 1 163 20 20 PHE CE2 C 130.753 0.300 1 164 20 20 PHE CZ C 128.669 0.300 1 165 20 20 PHE N N 118.227 0.300 1 166 21 21 SER HA H 4.680 0.030 1 167 21 21 SER HB2 H 4.064 0.030 2 168 21 21 SER HB3 H 4.150 0.030 2 169 21 21 SER C C 173.997 0.300 1 170 21 21 SER CA C 60.184 0.300 1 171 21 21 SER CB C 64.157 0.300 1 172 22 22 GLN H H 7.500 0.030 1 173 22 22 GLN HA H 4.824 0.030 1 174 22 22 GLN HB2 H 2.287 0.030 2 175 22 22 GLN HB3 H 2.016 0.030 2 176 22 22 GLN HE21 H 7.553 0.030 2 177 22 22 GLN HE22 H 6.955 0.030 2 178 22 22 GLN HG2 H 2.460 0.030 1 179 22 22 GLN HG3 H 2.460 0.030 1 180 22 22 GLN C C 175.870 0.300 1 181 22 22 GLN CA C 54.084 0.300 1 182 22 22 GLN CB C 31.702 0.300 1 183 22 22 GLN CG C 33.505 0.300 1 184 22 22 GLN N N 116.485 0.300 1 185 22 22 GLN NE2 N 112.515 0.300 1 186 23 23 ARG H H 8.691 0.030 1 187 23 23 ARG HA H 3.082 0.030 1 188 23 23 ARG HB2 H 1.268 0.030 2 189 23 23 ARG HB3 H 1.448 0.030 2 190 23 23 ARG HD2 H 3.035 0.030 1 191 23 23 ARG HD3 H 3.035 0.030 1 192 23 23 ARG HG2 H 1.223 0.030 1 193 23 23 ARG HG3 H 1.223 0.030 1 194 23 23 ARG CA C 59.143 0.300 1 195 23 23 ARG CB C 29.346 0.300 1 196 23 23 ARG CD C 43.025 0.300 1 197 23 23 ARG CG C 27.186 0.300 1 198 23 23 ARG N N 125.097 0.300 1 199 24 24 GLY HA2 H 3.776 0.030 2 200 24 24 GLY HA3 H 3.859 0.030 2 201 24 24 GLY C C 176.392 0.300 1 202 24 24 GLY CA C 46.859 0.300 1 203 25 25 SER H H 6.980 0.030 1 204 25 25 SER HA H 4.194 0.030 1 205 25 25 SER HB2 H 3.944 0.030 1 206 25 25 SER HB3 H 3.944 0.030 1 207 25 25 SER C C 176.605 0.300 1 208 25 25 SER CA C 60.591 0.300 1 209 25 25 SER CB C 62.393 0.300 1 210 25 25 SER N N 115.895 0.300 1 211 26 26 LEU H H 6.923 0.030 1 212 26 26 LEU HA H 3.181 0.030 1 213 26 26 LEU HB2 H 1.881 0.030 2 214 26 26 LEU HB3 H 1.205 0.030 2 215 26 26 LEU HD1 H 1.004 0.030 1 216 26 26 LEU HD2 H 0.956 0.030 1 217 26 26 LEU HG H 1.524 0.030 1 218 26 26 LEU CA C 57.663 0.300 1 219 26 26 LEU CB C 39.981 0.300 1 220 26 26 LEU CD1 C 22.838 0.300 2 221 26 26 LEU CD2 C 26.730 0.300 2 222 26 26 LEU CG C 27.355 0.300 1 223 26 26 LEU N N 123.587 0.300 1 224 27 27 ALA H H 7.843 0.030 1 225 27 27 ALA HA H 4.178 0.030 1 226 27 27 ALA HB H 1.425 0.030 1 227 27 27 ALA C C 180.615 0.300 1 228 27 27 ALA CA C 55.248 0.300 1 229 27 27 ALA CB C 17.793 0.300 1 230 27 27 ALA N N 120.794 0.300 1 231 28 28 VAL H H 7.275 0.030 1 232 28 28 VAL HA H 3.531 0.030 1 233 28 28 VAL HB H 1.941 0.030 1 234 28 28 VAL HG1 H 1.022 0.030 1 235 28 28 VAL HG2 H 0.914 0.030 1 236 28 28 VAL C C 178.241 0.300 1 237 28 28 VAL CA C 66.130 0.300 1 238 28 28 VAL CB C 32.433 0.300 1 239 28 28 VAL CG1 C 22.426 0.300 2 240 28 28 VAL CG2 C 21.114 0.300 2 241 28 28 VAL N N 116.412 0.300 1 242 29 29 HIS H H 7.278 0.030 1 243 29 29 HIS HA H 4.104 0.030 1 244 29 29 HIS HB2 H 3.122 0.030 2 245 29 29 HIS HB3 H 2.868 0.030 2 246 29 29 HIS HD2 H 6.997 0.030 1 247 29 29 HIS HE1 H 8.020 0.030 1 248 29 29 HIS C C 176.771 0.300 1 249 29 29 HIS CA C 59.609 0.300 1 250 29 29 HIS CB C 28.624 0.300 1 251 29 29 HIS CD2 C 127.352 0.300 1 252 29 29 HIS CE1 C 139.235 0.300 1 253 29 29 HIS N N 119.831 0.300 1 254 30 30 GLU H H 8.804 0.030 1 255 30 30 GLU HA H 3.786 0.030 1 256 30 30 GLU HB2 H 2.229 0.030 2 257 30 30 GLU HB3 H 2.122 0.030 2 258 30 30 GLU HG2 H 2.741 0.030 2 259 30 30 GLU HG3 H 2.642 0.030 2 260 30 30 GLU C C 179.001 0.300 1 261 30 30 GLU CA C 60.188 0.300 1 262 30 30 GLU CB C 30.031 0.300 1 263 30 30 GLU CG C 38.005 0.300 1 264 30 30 GLU N N 116.966 0.300 1 265 31 31 ARG H H 7.172 0.030 1 266 31 31 ARG HA H 4.141 0.030 1 267 31 31 ARG HB2 H 1.813 0.030 2 268 31 31 ARG HB3 H 1.918 0.030 2 269 31 31 ARG HD2 H 3.193 0.030 1 270 31 31 ARG HD3 H 3.193 0.030 1 271 31 31 ARG HG2 H 1.695 0.030 2 272 31 31 ARG HG3 H 1.856 0.030 2 273 31 31 ARG C C 178.241 0.300 1 274 31 31 ARG CA C 58.107 0.300 1 275 31 31 ARG CB C 29.999 0.300 1 276 31 31 ARG CD C 43.630 0.300 1 277 31 31 ARG CG C 27.516 0.300 1 278 31 31 ARG N N 117.054 0.300 1 279 32 32 LEU H H 7.816 0.030 1 280 32 32 LEU HA H 4.026 0.030 1 281 32 32 LEU HB2 H 1.342 0.030 2 282 32 32 LEU HB3 H 1.166 0.030 2 283 32 32 LEU HD1 H 0.785 0.030 1 284 32 32 LEU HD2 H 0.753 0.030 1 285 32 32 LEU HG H 1.603 0.030 1 286 32 32 LEU C C 178.857 0.300 1 287 32 32 LEU CA C 56.579 0.300 1 288 32 32 LEU CB C 41.325 0.300 1 289 32 32 LEU CD1 C 25.085 0.300 2 290 32 32 LEU CD2 C 22.911 0.300 2 291 32 32 LEU CG C 26.603 0.300 1 292 32 32 LEU N N 118.503 0.300 1 293 33 33 HIS H H 7.214 0.030 1 294 33 33 HIS HA H 4.739 0.030 1 295 33 33 HIS HB2 H 3.251 0.030 2 296 33 33 HIS HB3 H 3.312 0.030 2 297 33 33 HIS HD2 H 6.783 0.030 1 298 33 33 HIS HE1 H 8.044 0.030 1 299 33 33 HIS C C 175.548 0.300 1 300 33 33 HIS CA C 55.478 0.300 1 301 33 33 HIS CB C 28.561 0.300 1 302 33 33 HIS CD2 C 127.644 0.300 1 303 33 33 HIS CE1 C 139.915 0.300 1 304 33 33 HIS N N 115.130 0.300 1 305 34 34 THR H H 7.819 0.030 1 306 34 34 THR HA H 4.376 0.030 1 307 34 34 THR HB H 4.313 0.030 1 308 34 34 THR HG2 H 1.245 0.030 1 309 34 34 THR C C 175.373 0.300 1 310 34 34 THR CA C 62.351 0.300 1 311 34 34 THR CB C 69.892 0.300 1 312 34 34 THR CG2 C 21.559 0.300 1 313 34 34 THR N N 112.195 0.300 1 314 35 35 GLY H H 8.342 0.030 1 315 35 35 GLY HA2 H 4.035 0.030 1 316 35 35 GLY HA3 H 4.035 0.030 1 317 35 35 GLY C C 174.163 0.300 1 318 35 35 GLY CA C 45.377 0.300 1 319 35 35 GLY N N 111.119 0.300 1 320 36 36 SER H H 8.242 0.030 1 321 36 36 SER HA H 4.567 0.030 1 322 36 36 SER HB2 H 3.864 0.030 2 323 36 36 SER HB3 H 3.910 0.030 2 324 36 36 SER C C 173.926 0.300 1 325 36 36 SER CA C 58.290 0.300 1 326 36 36 SER CB C 63.888 0.300 1 327 36 36 SER N N 115.560 0.300 1 328 37 37 GLY H H 8.048 0.030 1 329 37 37 GLY HA2 H 3.814 0.030 2 330 37 37 GLY HA3 H 4.253 0.030 2 331 37 37 GLY CA C 46.205 0.300 1 332 37 37 GLY N N 116.864 0.300 1 333 38 38 PRO HA H 4.473 0.030 1 334 38 38 PRO HB2 H 2.293 0.030 2 335 38 38 PRO HB3 H 2.012 0.030 2 336 38 38 PRO HD2 H 3.622 0.030 1 337 38 38 PRO HD3 H 3.622 0.030 1 338 38 38 PRO HG2 H 2.013 0.030 1 339 38 38 PRO HG3 H 2.013 0.030 1 340 38 38 PRO C C 177.340 0.300 1 341 38 38 PRO CA C 63.332 0.300 1 342 38 38 PRO CB C 32.193 0.300 1 343 38 38 PRO CD C 49.800 0.300 1 344 38 38 PRO CG C 27.159 0.300 1 345 39 39 SER H H 8.528 0.030 1 346 39 39 SER HA H 4.469 0.030 1 347 39 39 SER HB2 H 3.865 0.030 2 348 39 39 SER HB3 H 3.912 0.030 2 349 39 39 SER C C 174.638 0.300 1 350 39 39 SER CA C 58.705 0.300 1 351 39 39 SER CB C 63.776 0.300 1 352 39 39 SER N N 116.453 0.300 1 353 40 40 SER H H 8.328 0.030 1 354 40 40 SER HA H 4.517 0.030 1 355 40 40 SER HB2 H 3.873 0.030 1 356 40 40 SER HB3 H 3.873 0.030 1 357 40 40 SER C C 174.580 0.300 1 358 40 40 SER CA C 58.227 0.300 1 359 40 40 SER CB C 64.067 0.300 1 360 40 40 SER N N 117.885 0.300 1 361 41 41 GLY H H 8.322 0.030 1 362 41 41 GLY HA2 H 4.095 0.030 2 363 41 41 GLY HA3 H 4.145 0.030 2 364 41 41 GLY C C 176.568 0.300 1 365 41 41 GLY CA C 44.671 0.300 1 366 41 41 GLY N N 110.766 0.300 1 stop_ save_