data_11403 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Zinc finger domain 7 in Zinc finger protein 32 ; _BMRB_accession_number 11403 _BMRB_flat_file_name bmr11403.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 Tsuda K. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 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" 179 "13C chemical shifts" 130 "15N chemical shifts" 35 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 Zinc finger domain 7 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 Tsuda K. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 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 domain' $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Zinc finger domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GSSGSSGGETPYLCGQCGKS FTQRGSLAVHQRSCSQSGPS 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 THR 11 PRO 12 TYR 13 LEU 14 CYS 15 GLY 16 GLN 17 CYS 18 GLY 19 LYS 20 SER 21 PHE 22 THR 23 GLN 24 ARG 25 GLY 26 SER 27 LEU 28 ALA 29 VAL 30 HIS 31 GLN 32 ARG 33 SER 34 CYS 35 SER 36 GLN 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 2EPC "Solution Structure Of Zinc Finger Domain 7 In Zinc Finger Protein 32" 100.00 42 100.00 100.00 2.18e-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 P061204-07 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 'Johnson B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9825 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_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 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY C C 174.594 0.300 1 2 8 8 GLY H H 8.207 0.030 1 3 8 8 GLY HA2 H 3.902 0.030 1 4 8 8 GLY HA3 H 3.902 0.030 1 5 8 8 GLY C C 174.093 0.300 1 6 8 8 GLY CA C 44.887 0.300 1 7 8 8 GLY N N 108.705 0.300 1 8 9 9 GLU H H 8.380 0.030 1 9 9 9 GLU HA H 4.256 0.030 1 10 9 9 GLU HB2 H 1.862 0.030 2 11 9 9 GLU HB3 H 1.988 0.030 2 12 9 9 GLU HG2 H 2.202 0.030 1 13 9 9 GLU HG3 H 2.202 0.030 1 14 9 9 GLU C C 176.506 0.300 1 15 9 9 GLU CA C 56.588 0.300 1 16 9 9 GLU CB C 30.351 0.300 1 17 9 9 GLU CG C 36.355 0.300 1 18 9 9 GLU N N 120.486 0.300 1 19 10 10 THR H H 8.221 0.030 1 20 10 10 THR HA H 3.584 0.030 1 21 10 10 THR HB H 3.978 0.030 1 22 10 10 THR HG2 H 1.001 0.030 1 23 10 10 THR C C 173.703 0.300 1 24 10 10 THR CA C 58.630 0.300 1 25 10 10 THR CB C 69.674 0.300 1 26 10 10 THR CG2 C 21.053 0.300 1 27 10 10 THR N N 115.961 0.300 1 28 11 11 PRO HA H 4.431 0.030 1 29 11 11 PRO HB2 H 2.229 0.030 2 30 11 11 PRO HB3 H 1.916 0.030 2 31 11 11 PRO HD2 H 3.571 0.030 1 32 11 11 PRO HD3 H 3.571 0.030 1 33 11 11 PRO HG2 H 1.956 0.030 1 34 11 11 PRO HG3 H 1.956 0.030 1 35 11 11 PRO C C 175.932 0.300 1 36 11 11 PRO CA C 63.232 0.300 1 37 11 11 PRO CB C 32.236 0.300 1 38 11 11 PRO CD C 49.926 0.300 1 39 11 11 PRO CG C 27.148 0.300 1 40 12 12 TYR H H 8.184 0.030 1 41 12 12 TYR HA H 4.534 0.030 1 42 12 12 TYR HB2 H 2.786 0.030 2 43 12 12 TYR HB3 H 2.891 0.030 2 44 12 12 TYR HD1 H 6.913 0.030 1 45 12 12 TYR HD2 H 6.913 0.030 1 46 12 12 TYR HE1 H 6.762 0.030 1 47 12 12 TYR HE2 H 6.762 0.030 1 48 12 12 TYR C C 174.236 0.300 1 49 12 12 TYR CA C 57.124 0.300 1 50 12 12 TYR CB C 38.582 0.300 1 51 12 12 TYR CD1 C 133.012 0.300 1 52 12 12 TYR CD2 C 133.012 0.300 1 53 12 12 TYR CE1 C 118.202 0.300 1 54 12 12 TYR CE2 C 118.202 0.300 1 55 12 12 TYR N N 119.418 0.300 1 56 13 13 LEU H H 8.287 0.030 1 57 13 13 LEU HA H 4.914 0.030 1 58 13 13 LEU HB2 H 1.319 0.030 2 59 13 13 LEU HB3 H 1.418 0.030 2 60 13 13 LEU HD1 H 0.693 0.030 1 61 13 13 LEU HD2 H 0.782 0.030 1 62 13 13 LEU HG H 1.296 0.030 1 63 13 13 LEU C C 176.506 0.300 1 64 13 13 LEU CA C 53.833 0.300 1 65 13 13 LEU CB C 44.927 0.300 1 66 13 13 LEU CD1 C 24.676 0.300 2 67 13 13 LEU CD2 C 22.965 0.300 2 68 13 13 LEU CG C 27.308 0.300 1 69 13 13 LEU N N 124.700 0.300 1 70 14 14 CYS H H 9.115 0.030 1 71 14 14 CYS HA H 4.432 0.030 1 72 14 14 CYS HB2 H 3.361 0.030 2 73 14 14 CYS HB3 H 2.687 0.030 2 74 14 14 CYS C C 177.533 0.300 1 75 14 14 CYS CA C 59.472 0.300 1 76 14 14 CYS CB C 30.135 0.300 1 77 14 14 CYS N N 125.863 0.300 1 78 15 15 GLY H H 9.165 0.030 1 79 15 15 GLY HA2 H 3.869 0.030 2 80 15 15 GLY HA3 H 3.930 0.030 2 81 15 15 GLY C C 174.045 0.300 1 82 15 15 GLY CA C 46.617 0.300 1 83 15 15 GLY N N 119.961 0.300 1 84 16 16 GLN H H 8.839 0.030 1 85 16 16 GLN HA H 4.351 0.030 1 86 16 16 GLN HB2 H 2.150 0.030 2 87 16 16 GLN HB3 H 2.268 0.030 2 88 16 16 GLN HE21 H 7.489 0.030 2 89 16 16 GLN HE22 H 6.794 0.030 2 90 16 16 GLN HG2 H 2.345 0.030 2 91 16 16 GLN HG3 H 2.257 0.030 2 92 16 16 GLN C C 176.625 0.300 1 93 16 16 GLN CA C 57.618 0.300 1 94 16 16 GLN CB C 30.258 0.300 1 95 16 16 GLN CG C 34.568 0.300 1 96 16 16 GLN N N 120.875 0.300 1 97 16 16 GLN NE2 N 112.239 0.300 1 98 17 17 CYS H H 7.967 0.030 1 99 17 17 CYS HA H 5.005 0.030 1 100 17 17 CYS HB2 H 2.516 0.030 2 101 17 17 CYS HB3 H 3.236 0.030 2 102 17 17 CYS C C 176.816 0.300 1 103 17 17 CYS CA C 58.217 0.300 1 104 17 17 CYS CB C 33.036 0.300 1 105 17 17 CYS N N 115.335 0.300 1 106 18 18 GLY H H 8.161 0.030 1 107 18 18 GLY HA2 H 3.746 0.030 2 108 18 18 GLY HA3 H 4.150 0.030 2 109 18 18 GLY C C 173.567 0.300 1 110 18 18 GLY CA C 46.225 0.300 1 111 18 18 GLY N N 113.542 0.300 1 112 19 19 LYS H H 8.321 0.030 1 113 19 19 LYS HA H 3.984 0.030 1 114 19 19 LYS HB2 H 1.531 0.030 2 115 19 19 LYS HB3 H 1.226 0.030 2 116 19 19 LYS HD2 H 1.490 0.030 2 117 19 19 LYS HD3 H 1.377 0.030 2 118 19 19 LYS HE2 H 2.908 0.030 2 119 19 19 LYS HE3 H 2.812 0.030 2 120 19 19 LYS HG2 H 1.378 0.030 2 121 19 19 LYS HG3 H 0.992 0.030 2 122 19 19 LYS C C 174.117 0.300 1 123 19 19 LYS CA C 57.839 0.300 1 124 19 19 LYS CB C 33.870 0.300 1 125 19 19 LYS CD C 29.232 0.300 1 126 19 19 LYS CE C 42.113 0.300 1 127 19 19 LYS CG C 26.152 0.300 1 128 19 19 LYS N N 123.239 0.300 1 129 20 20 SER H H 7.764 0.030 1 130 20 20 SER HA H 5.116 0.030 1 131 20 20 SER HB2 H 3.534 0.030 1 132 20 20 SER HB3 H 3.534 0.030 1 133 20 20 SER C C 173.472 0.300 1 134 20 20 SER CA C 56.684 0.300 1 135 20 20 SER CB C 65.705 0.300 1 136 20 20 SER N N 115.173 0.300 1 137 21 21 PHE H H 8.768 0.030 1 138 21 21 PHE HA H 4.689 0.030 1 139 21 21 PHE HB2 H 2.640 0.030 2 140 21 21 PHE HB3 H 3.271 0.030 2 141 21 21 PHE HD1 H 6.742 0.030 1 142 21 21 PHE HD2 H 6.742 0.030 1 143 21 21 PHE HE1 H 7.140 0.030 1 144 21 21 PHE HE2 H 7.140 0.030 1 145 21 21 PHE HZ H 6.079 0.030 1 146 21 21 PHE C C 174.069 0.300 1 147 21 21 PHE CA C 57.217 0.300 1 148 21 21 PHE CB C 43.332 0.300 1 149 21 21 PHE CD1 C 130.745 0.300 1 150 21 21 PHE CD2 C 130.745 0.300 1 151 21 21 PHE CE1 C 132.357 0.300 1 152 21 21 PHE CE2 C 132.357 0.300 1 153 21 21 PHE CZ C 128.486 0.300 1 154 21 21 PHE N N 119.923 0.300 1 155 22 22 THR H H 7.996 0.030 1 156 22 22 THR HA H 4.289 0.030 1 157 22 22 THR HB H 4.395 0.030 1 158 22 22 THR HG2 H 1.242 0.030 1 159 22 22 THR C C 174.905 0.300 1 160 22 22 THR CA C 63.168 0.300 1 161 22 22 THR CB C 69.484 0.300 1 162 22 22 THR CG2 C 22.377 0.300 1 163 22 22 THR N N 124.276 0.300 1 164 23 23 GLN H H 7.410 0.030 1 165 23 23 GLN HA H 4.310 0.030 1 166 23 23 GLN HB2 H 1.901 0.030 2 167 23 23 GLN HB3 H 2.100 0.030 2 168 23 23 GLN HE21 H 7.509 0.030 2 169 23 23 GLN HE22 H 6.914 0.030 2 170 23 23 GLN HG2 H 2.404 0.030 1 171 23 23 GLN HG3 H 2.404 0.030 1 172 23 23 GLN C C 175.837 0.300 1 173 23 23 GLN CA C 55.930 0.300 1 174 23 23 GLN CB C 29.437 0.300 1 175 23 23 GLN CG C 33.443 0.300 1 176 23 23 GLN N N 116.643 0.300 1 177 23 23 GLN NE2 N 112.371 0.300 1 178 24 24 ARG H H 8.288 0.030 1 179 24 24 ARG HA H 4.536 0.030 1 180 24 24 ARG HB2 H 1.438 0.030 2 181 24 24 ARG HB3 H 1.354 0.030 2 182 24 24 ARG HD2 H 3.011 0.030 1 183 24 24 ARG HD3 H 3.011 0.030 1 184 24 24 ARG HG2 H 1.231 0.030 1 185 24 24 ARG HG3 H 1.231 0.030 1 186 24 24 ARG C C 174.594 0.300 1 187 24 24 ARG CA C 57.131 0.300 1 188 24 24 ARG CB C 29.712 0.300 1 189 24 24 ARG CD C 43.132 0.300 1 190 24 24 ARG CG C 27.261 0.300 1 191 24 24 ARG N N 116.603 0.300 1 192 25 25 GLY H H 8.496 0.030 1 193 25 25 GLY HA2 H 3.819 0.030 2 194 25 25 GLY HA3 H 3.729 0.030 2 195 25 25 GLY C C 176.267 0.300 1 196 25 25 GLY CA C 46.822 0.300 1 197 25 25 GLY N N 119.842 0.300 1 198 26 26 SER H H 7.041 0.030 1 199 26 26 SER HA H 4.192 0.030 1 200 26 26 SER HB2 H 3.974 0.030 1 201 26 26 SER HB3 H 3.974 0.030 1 202 26 26 SER C C 176.816 0.300 1 203 26 26 SER CA C 60.585 0.300 1 204 26 26 SER CB C 62.481 0.300 1 205 26 26 SER N N 116.076 0.300 1 206 27 27 LEU H H 7.024 0.030 1 207 27 27 LEU HA H 2.962 0.030 1 208 27 27 LEU HB2 H 1.785 0.030 2 209 27 27 LEU HB3 H 1.073 0.030 2 210 27 27 LEU HD1 H 0.850 0.030 1 211 27 27 LEU HD2 H 0.783 0.030 1 212 27 27 LEU HG H 1.321 0.030 1 213 27 27 LEU C C 177.127 0.300 1 214 27 27 LEU CA C 57.630 0.300 1 215 27 27 LEU CB C 40.244 0.300 1 216 27 27 LEU CD1 C 26.403 0.300 2 217 27 27 LEU CD2 C 22.954 0.300 2 218 27 27 LEU CG C 27.308 0.300 1 219 27 27 LEU N N 124.172 0.300 1 220 28 28 ALA H H 7.845 0.030 1 221 28 28 ALA HA H 4.082 0.030 1 222 28 28 ALA HB H 1.369 0.030 1 223 28 28 ALA C C 180.806 0.300 1 224 28 28 ALA CA C 55.393 0.300 1 225 28 28 ALA CB C 17.732 0.300 1 226 28 28 ALA N N 121.148 0.300 1 227 29 29 VAL H H 7.439 0.030 1 228 29 29 VAL HA H 3.473 0.030 1 229 29 29 VAL HB H 1.914 0.030 1 230 29 29 VAL HG1 H 0.982 0.030 1 231 29 29 VAL HG2 H 0.873 0.030 1 232 29 29 VAL C C 179.086 0.300 1 233 29 29 VAL CA C 66.376 0.300 1 234 29 29 VAL CB C 32.071 0.300 1 235 29 29 VAL CG1 C 22.538 0.300 2 236 29 29 VAL CG2 C 21.057 0.300 2 237 29 29 VAL N N 116.959 0.300 1 238 30 30 HIS H H 7.513 0.030 1 239 30 30 HIS HA H 4.148 0.030 1 240 30 30 HIS HB2 H 3.024 0.030 2 241 30 30 HIS HB3 H 2.862 0.030 2 242 30 30 HIS HD2 H 6.788 0.030 1 243 30 30 HIS HE1 H 8.088 0.030 1 244 30 30 HIS C C 177.629 0.300 1 245 30 30 HIS CA C 59.390 0.300 1 246 30 30 HIS CB C 28.239 0.300 1 247 30 30 HIS CD2 C 127.579 0.300 1 248 30 30 HIS CE1 C 139.771 0.300 1 249 30 30 HIS N N 120.653 0.300 1 250 31 31 GLN H H 8.631 0.030 1 251 31 31 GLN HA H 3.726 0.030 1 252 31 31 GLN HB2 H 2.047 0.030 2 253 31 31 GLN HB3 H 2.167 0.030 2 254 31 31 GLN HE21 H 7.505 0.030 2 255 31 31 GLN HE22 H 6.821 0.030 2 256 31 31 GLN HG2 H 2.704 0.030 2 257 31 31 GLN HG3 H 2.594 0.030 2 258 31 31 GLN C C 177.007 0.300 1 259 31 31 GLN CA C 59.142 0.300 1 260 31 31 GLN CB C 28.527 0.300 1 261 31 31 GLN CG C 35.697 0.300 1 262 31 31 GLN N N 116.780 0.300 1 263 31 31 GLN NE2 N 112.783 0.300 1 264 32 32 ARG H H 7.241 0.030 1 265 32 32 ARG HA H 4.057 0.030 1 266 32 32 ARG HB2 H 1.843 0.030 1 267 32 32 ARG HB3 H 1.843 0.030 1 268 32 32 ARG HD2 H 3.150 0.030 1 269 32 32 ARG HD3 H 3.150 0.030 1 270 32 32 ARG HG2 H 1.628 0.030 2 271 32 32 ARG HG3 H 1.846 0.030 2 272 32 32 ARG C C 177.127 0.300 1 273 32 32 ARG CA C 58.689 0.300 1 274 32 32 ARG CB C 29.893 0.300 1 275 32 32 ARG CD C 43.619 0.300 1 276 32 32 ARG CG C 27.390 0.300 1 277 32 32 ARG N N 116.664 0.300 1 278 33 33 SER H H 7.210 0.030 1 279 33 33 SER HA H 4.564 0.030 1 280 33 33 SER HB2 H 3.799 0.030 2 281 33 33 SER HB3 H 3.714 0.030 2 282 33 33 SER C C 173.400 0.300 1 283 33 33 SER CA C 58.235 0.300 1 284 33 33 SER CB C 64.252 0.300 1 285 33 33 SER N N 109.862 0.300 1 286 34 34 CYS H H 7.214 0.030 1 287 34 34 CYS HA H 3.934 0.030 1 288 34 34 CYS HB2 H 2.446 0.030 2 289 34 34 CYS HB3 H 1.828 0.030 2 290 34 34 CYS C C 175.407 0.300 1 291 34 34 CYS CA C 61.038 0.300 1 292 34 34 CYS CB C 28.527 0.300 1 293 34 34 CYS N N 126.151 0.300 1 294 35 35 SER H H 8.344 0.030 1 295 35 35 SER HA H 4.507 0.030 1 296 35 35 SER HB2 H 3.831 0.030 1 297 35 35 SER HB3 H 3.831 0.030 1 298 35 35 SER C C 173.926 0.300 1 299 35 35 SER CA C 58.439 0.300 1 300 35 35 SER CB C 64.177 0.300 1 301 35 35 SER N N 119.569 0.300 1 302 36 36 GLN H H 8.027 0.030 1 303 36 36 GLN HA H 4.292 0.030 1 304 36 36 GLN HB2 H 1.710 0.030 2 305 36 36 GLN HB3 H 1.804 0.030 2 306 36 36 GLN HE21 H 7.706 0.030 2 307 36 36 GLN HE22 H 7.048 0.030 2 308 36 36 GLN HG2 H 1.845 0.030 2 309 36 36 GLN HG3 H 2.094 0.030 2 310 36 36 GLN C C 174.499 0.300 1 311 36 36 GLN CA C 56.273 0.300 1 312 36 36 GLN CB C 30.978 0.300 1 313 36 36 GLN CG C 34.603 0.300 1 314 36 36 GLN N N 116.874 0.300 1 315 36 36 GLN NE2 N 113.129 0.300 1 316 37 37 SER H H 7.449 0.030 1 317 37 37 SER HA H 4.448 0.030 1 318 37 37 SER HB2 H 3.866 0.030 1 319 37 37 SER HB3 H 3.866 0.030 1 320 37 37 SER C C 174.547 0.300 1 321 37 37 SER CA C 58.531 0.300 1 322 37 37 SER CB C 63.851 0.300 1 323 37 37 SER N N 111.435 0.300 1 324 38 38 GLY H H 8.175 0.030 1 325 38 38 GLY HA2 H 4.130 0.030 2 326 38 38 GLY HA3 H 4.052 0.030 2 327 38 38 GLY CA C 44.700 0.300 1 328 38 38 GLY N N 110.760 0.300 1 329 39 39 PRO HA H 4.267 0.030 1 330 39 39 PRO HB2 H 1.985 0.030 2 331 39 39 PRO HB3 H 1.405 0.030 2 332 39 39 PRO HD2 H 3.582 0.030 2 333 39 39 PRO HD3 H 3.500 0.030 2 334 39 39 PRO HG2 H 1.767 0.030 2 335 39 39 PRO HG3 H 1.626 0.030 2 336 39 39 PRO C C 177.342 0.300 1 337 39 39 PRO CA C 62.901 0.300 1 338 39 39 PRO CB C 32.236 0.300 1 339 39 39 PRO CD C 50.585 0.300 1 340 39 39 PRO CG C 27.144 0.300 1 341 40 40 SER H H 8.506 0.030 1 342 40 40 SER CA C 58.360 0.300 1 343 40 40 SER CB C 63.881 0.300 1 344 40 40 SER N N 116.529 0.300 1 stop_ save_