data_10157 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 626-654) of human B-cell lymphoma 6 protein ; _BMRB_accession_number 10157 _BMRB_flat_file_name bmr10157.str _Entry_type original _Submission_date 2007-12-19 _Accession_date 2007-12-20 _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" 197 "13C chemical shifts" 149 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-20 original author . stop_ _Original_release_date 2009-02-20 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 626-654) of human B-cell lymphoma 6 protein ; _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 'B-cell lymphoma 6 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'B-cell lymphoma 6 protein' $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 bond' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GSSGSSGGEKPYPCEICGTR FRHLQTLKSHLRIHTGSGPS 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 PRO 14 CYS 15 GLU 16 ILE 17 CYS 18 GLY 19 THR 20 ARG 21 PHE 22 ARG 23 HIS 24 LEU 25 GLN 26 THR 27 LEU 28 LYS 29 SER 30 HIS 31 LEU 32 ARG 33 ILE 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 2EOS "Solution Structure Of The C2h2 Type Zinc Finger (Region 626- 654) Of Human B-Cell Lymphoma 6 Protein" 100.00 42 100.00 100.00 6.39e-20 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common ZN _Molecular_mass . _Details . _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 P070115-03 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 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_ _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 'B-cell lymphoma 6 protein' _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 CA C 45.530 0.300 1 2 7 7 GLY HA3 H 3.930 0.030 1 3 7 7 GLY C C 174.617 0.300 1 4 7 7 GLY HA2 H 3.930 0.030 1 5 8 8 GLY N N 108.339 0.300 1 6 8 8 GLY H H 8.199 0.030 1 7 8 8 GLY CA C 45.038 0.300 1 8 8 8 GLY HA3 H 3.917 0.030 1 9 8 8 GLY C C 174.079 0.300 1 10 8 8 GLY HA2 H 3.917 0.030 1 11 9 9 GLU N N 120.351 0.300 1 12 9 9 GLU H H 8.357 0.030 1 13 9 9 GLU CA C 57.060 0.300 1 14 9 9 GLU HA H 4.129 0.030 1 15 9 9 GLU CB C 30.173 0.300 1 16 9 9 GLU CG C 36.259 0.300 1 17 9 9 GLU HG3 H 2.204 0.030 2 18 9 9 GLU C C 176.341 0.300 1 19 9 9 GLU HB2 H 1.927 0.030 2 20 9 9 GLU HG2 H 2.241 0.030 2 21 10 10 LYS N N 121.224 0.300 1 22 10 10 LYS H H 8.294 0.030 1 23 10 10 LYS CA C 53.746 0.300 1 24 10 10 LYS HA H 4.434 0.030 1 25 10 10 LYS CB C 33.720 0.300 1 26 10 10 LYS HB3 H 1.163 0.030 2 27 10 10 LYS CG C 25.320 0.300 1 28 10 10 LYS HG3 H 1.315 0.030 2 29 10 10 LYS CD C 29.780 0.300 1 30 10 10 LYS HD3 H 1.428 0.030 2 31 10 10 LYS CE C 42.314 0.300 1 32 10 10 LYS HE3 H 2.883 0.030 1 33 10 10 LYS C C 174.180 0.300 1 34 10 10 LYS HB2 H 1.564 0.030 2 35 10 10 LYS HD2 H 1.488 0.030 2 36 10 10 LYS HE2 H 2.883 0.030 1 37 10 10 LYS HG2 H 1.007 0.030 2 38 11 11 PRO CA C 63.617 0.300 1 39 11 11 PRO HA H 4.269 0.030 1 40 11 11 PRO CB C 32.493 0.300 1 41 11 11 PRO HB3 H 0.964 0.030 2 42 11 11 PRO CG C 26.496 0.300 1 43 11 11 PRO HG3 H 1.523 0.030 2 44 11 11 PRO CD C 50.685 0.300 1 45 11 11 PRO HD3 H 3.642 0.030 2 46 11 11 PRO C C 176.062 0.300 1 47 11 11 PRO HB2 H 1.987 0.030 2 48 11 11 PRO HD2 H 3.706 0.030 2 49 11 11 PRO HG2 H 1.696 0.030 2 50 12 12 TYR N N 116.760 0.300 1 51 12 12 TYR H H 7.803 0.030 1 52 12 12 TYR CA C 55.382 0.300 1 53 12 12 TYR HA H 5.090 0.030 1 54 12 12 TYR CB C 39.070 0.300 1 55 12 12 TYR HB3 H 2.826 0.030 2 56 12 12 TYR CD1 C 133.655 0.300 1 57 12 12 TYR HD1 H 6.995 0.030 1 58 12 12 TYR CD2 C 133.655 0.300 1 59 12 12 TYR HD2 H 6.995 0.030 1 60 12 12 TYR CE1 C 118.308 0.300 1 61 12 12 TYR HE1 H 6.914 0.030 1 62 12 12 TYR CE2 C 118.308 0.300 1 63 12 12 TYR HE2 H 6.914 0.030 1 64 12 12 TYR C C 173.946 0.300 1 65 12 12 TYR HB2 H 2.979 0.030 2 66 13 13 PRO CA C 61.323 0.300 1 67 13 13 PRO HA H 4.946 0.030 1 68 13 13 PRO CB C 32.343 0.300 1 69 13 13 PRO HB3 H 1.746 0.030 2 70 13 13 PRO CG C 26.435 0.300 1 71 13 13 PRO HG3 H 1.950 0.030 2 72 13 13 PRO CD C 50.985 0.300 1 73 13 13 PRO HD3 H 3.889 0.030 2 74 13 13 PRO C C 175.848 0.300 1 75 13 13 PRO HB2 H 1.874 0.030 2 76 13 13 PRO HD2 H 3.978 0.030 2 77 13 13 PRO HG2 H 2.213 0.030 2 78 14 14 CYS N N 122.803 0.300 1 79 14 14 CYS H H 8.973 0.030 1 80 14 14 CYS CA C 59.241 0.300 1 81 14 14 CYS HA H 4.702 0.030 1 82 14 14 CYS CB C 29.646 0.300 1 83 14 14 CYS HB3 H 2.848 0.030 2 84 14 14 CYS C C 178.137 0.300 1 85 14 14 CYS HB2 H 3.361 0.030 2 86 15 15 GLU N N 132.218 0.300 1 87 15 15 GLU H H 9.723 0.030 1 88 15 15 GLU CA C 58.506 0.300 1 89 15 15 GLU HA H 4.186 0.030 1 90 15 15 GLU CB C 29.648 0.300 1 91 15 15 GLU HB3 H 2.085 0.030 2 92 15 15 GLU CG C 36.367 0.300 1 93 15 15 GLU HG3 H 2.361 0.030 1 94 15 15 GLU C C 176.120 0.300 1 95 15 15 GLU HB2 H 2.188 0.030 2 96 15 15 GLU HG2 H 2.361 0.030 1 97 16 16 ILE N N 121.803 0.300 1 98 16 16 ILE H H 8.900 0.030 1 99 16 16 ILE CA C 63.455 0.300 1 100 16 16 ILE HA H 3.890 0.030 1 101 16 16 ILE CB C 38.217 0.300 1 102 16 16 ILE HB H 1.155 0.030 1 103 16 16 ILE CG1 C 28.270 0.300 1 104 16 16 ILE HG13 H 1.085 0.030 2 105 16 16 ILE CG2 C 16.414 0.300 1 106 16 16 ILE HG2 H 0.289 0.030 1 107 16 16 ILE CD1 C 12.270 0.300 1 108 16 16 ILE HD1 H 0.710 0.030 1 109 16 16 ILE C C 177.134 0.300 1 110 16 16 ILE HG12 H 1.358 0.030 2 111 17 17 CYS N N 117.174 0.300 1 112 17 17 CYS H H 8.560 0.030 1 113 17 17 CYS CA C 58.390 0.300 1 114 17 17 CYS HA H 5.177 0.030 1 115 17 17 CYS CB C 32.618 0.300 1 116 17 17 CYS HB3 H 2.867 0.030 2 117 17 17 CYS C C 176.615 0.300 1 118 17 17 CYS HB2 H 3.540 0.030 2 119 18 18 GLY N N 113.492 0.300 1 120 18 18 GLY H H 8.159 0.030 1 121 18 18 GLY CA C 46.223 0.300 1 122 18 18 GLY HA3 H 4.282 0.030 2 123 18 18 GLY C C 174.098 0.300 1 124 18 18 GLY HA2 H 3.827 0.030 2 125 19 19 THR N N 120.008 0.300 1 126 19 19 THR H H 7.989 0.030 1 127 19 19 THR CA C 64.755 0.300 1 128 19 19 THR HA H 3.921 0.030 1 129 19 19 THR CB C 68.607 0.300 1 130 19 19 THR HB H 3.562 0.030 1 131 19 19 THR CG2 C 22.313 0.300 1 132 19 19 THR HG2 H 0.669 0.030 1 133 19 19 THR C C 171.898 0.300 1 134 20 20 ARG N N 123.158 0.300 1 135 20 20 ARG H H 8.057 0.030 1 136 20 20 ARG CA C 55.128 0.300 1 137 20 20 ARG HA H 4.787 0.030 1 138 20 20 ARG CB C 33.459 0.300 1 139 20 20 ARG HB3 H 1.387 0.030 2 140 20 20 ARG CG C 29.189 0.300 1 141 20 20 ARG HG3 H 1.082 0.030 2 142 20 20 ARG CD C 43.244 0.300 1 143 20 20 ARG HD3 H 3.113 0.030 2 144 20 20 ARG C C 174.806 0.300 1 145 20 20 ARG HB2 H 1.661 0.030 2 146 20 20 ARG HD2 H 3.283 0.030 2 147 20 20 ARG HG2 H 1.724 0.030 2 148 21 21 PHE N N 117.358 0.300 1 149 21 21 PHE H H 8.245 0.030 1 150 21 21 PHE CA C 57.360 0.300 1 151 21 21 PHE HA H 4.729 0.030 1 152 21 21 PHE CB C 42.955 0.300 1 153 21 21 PHE HB3 H 2.835 0.030 2 154 21 21 PHE CD1 C 132.489 0.300 1 155 21 21 PHE HD1 H 7.355 0.030 1 156 21 21 PHE CD2 C 132.489 0.300 1 157 21 21 PHE HD2 H 7.355 0.030 1 158 21 21 PHE CE1 C 130.568 0.300 1 159 21 21 PHE HE1 H 6.791 0.030 1 160 21 21 PHE CE2 C 130.568 0.300 1 161 21 21 PHE HE2 H 6.791 0.030 1 162 21 21 PHE CZ C 129.169 0.300 1 163 21 21 PHE HZ H 6.154 0.030 1 164 21 21 PHE C C 175.256 0.300 1 165 21 21 PHE HB2 H 3.410 0.030 2 166 22 22 ARG N N 120.836 0.300 1 167 22 22 ARG H H 9.201 0.030 1 168 22 22 ARG CA C 58.190 0.300 1 169 22 22 ARG HA H 4.325 0.030 1 170 22 22 ARG CB C 31.236 0.300 1 171 22 22 ARG HB3 H 1.705 0.030 2 172 22 22 ARG CG C 27.939 0.300 1 173 22 22 ARG HG3 H 1.437 0.030 2 174 22 22 ARG CD C 43.382 0.300 1 175 22 22 ARG HD3 H 3.222 0.030 1 176 22 22 ARG C C 174.935 0.300 1 177 22 22 ARG HB2 H 1.782 0.030 2 178 22 22 ARG HD2 H 3.222 0.030 1 179 22 22 ARG HG2 H 1.552 0.030 2 180 23 23 HIS N N 113.110 0.300 1 181 23 23 HIS H H 7.454 0.030 1 182 23 23 HIS CA C 54.696 0.300 1 183 23 23 HIS HA H 5.127 0.030 1 184 23 23 HIS CB C 33.623 0.300 1 185 23 23 HIS HB3 H 3.089 0.030 2 186 23 23 HIS CD2 C 120.077 0.300 1 187 23 23 HIS HD2 H 7.219 0.030 1 188 23 23 HIS CE1 C 138.451 0.300 1 189 23 23 HIS HE1 H 7.827 0.030 1 190 23 23 HIS C C 175.530 0.300 1 191 23 23 HIS HB2 H 3.332 0.030 2 192 24 24 LEU N N 127.638 0.300 1 193 24 24 LEU H H 8.521 0.030 1 194 24 24 LEU CA C 57.706 0.300 1 195 24 24 LEU HA H 3.365 0.030 1 196 24 24 LEU CB C 41.255 0.300 1 197 24 24 LEU HB3 H 0.943 0.030 2 198 24 24 LEU CG C 26.795 0.300 1 199 24 24 LEU HG H 1.097 0.030 1 200 24 24 LEU CD1 C 24.985 0.300 2 201 24 24 LEU HD1 H 0.728 0.030 1 202 24 24 LEU CD2 C 23.341 0.300 2 203 24 24 LEU HD2 H 0.790 0.030 1 204 24 24 LEU C C 178.985 0.300 1 205 24 24 LEU HB2 H 1.394 0.030 2 206 25 25 GLN N N 116.917 0.300 1 207 25 25 GLN H H 9.292 0.030 1 208 25 25 GLN CA C 59.059 0.300 1 209 25 25 GLN HA H 3.908 0.030 1 210 25 25 GLN CB C 27.816 0.300 1 211 25 25 GLN HB3 H 1.988 0.030 2 212 25 25 GLN CG C 33.617 0.300 1 213 25 25 GLN HG3 H 2.416 0.030 1 214 25 25 GLN NE2 N 112.583 0.300 1 215 25 25 GLN HE21 H 7.467 0.030 2 216 25 25 GLN HE22 H 6.886 0.030 2 217 25 25 GLN C C 177.986 0.300 1 218 25 25 GLN HB2 H 2.076 0.030 2 219 25 25 GLN HG2 H 2.416 0.030 1 220 26 26 THR N N 114.926 0.300 1 221 26 26 THR H H 7.057 0.030 1 222 26 26 THR CA C 64.923 0.300 1 223 26 26 THR HA H 3.955 0.030 1 224 26 26 THR CB C 67.976 0.300 1 225 26 26 THR HB H 4.277 0.030 1 226 26 26 THR CG2 C 24.518 0.300 1 227 26 26 THR HG2 H 1.392 0.030 1 228 26 26 THR C C 176.674 0.300 1 229 27 27 LEU N N 123.660 0.300 1 230 27 27 LEU H H 7.152 0.030 1 231 27 27 LEU CA C 58.092 0.300 1 232 27 27 LEU HA H 3.244 0.030 1 233 27 27 LEU CB C 39.898 0.300 1 234 27 27 LEU HB3 H 2.029 0.030 2 235 27 27 LEU CG C 28.058 0.300 1 236 27 27 LEU HG H 1.500 0.030 1 237 27 27 LEU CD1 C 22.570 0.300 2 238 27 27 LEU HD1 H 1.071 0.030 1 239 27 27 LEU CD2 C 26.373 0.300 2 240 27 27 LEU HD2 H 0.987 0.030 1 241 27 27 LEU C C 177.543 0.300 1 242 27 27 LEU HB2 H 1.367 0.030 2 243 28 28 LYS N N 117.443 0.300 1 244 28 28 LYS H H 8.333 0.030 1 245 28 28 LYS CA C 60.192 0.300 1 246 28 28 LYS HA H 3.846 0.030 1 247 28 28 LYS CB C 31.791 0.300 1 248 28 28 LYS HB3 H 1.817 0.030 2 249 28 28 LYS CG C 25.458 0.300 1 250 28 28 LYS HG3 H 1.371 0.030 2 251 28 28 LYS CD C 29.179 0.300 1 252 28 28 LYS HD3 H 1.607 0.030 1 253 28 28 LYS CE C 42.000 0.300 1 254 28 28 LYS HE3 H 2.889 0.030 1 255 28 28 LYS C C 179.540 0.300 1 256 28 28 LYS HB2 H 1.845 0.030 2 257 28 28 LYS HD2 H 1.607 0.030 1 258 28 28 LYS HE2 H 2.889 0.030 1 259 28 28 LYS HG2 H 1.525 0.030 2 260 29 29 SER N N 113.365 0.300 1 261 29 29 SER H H 7.689 0.030 1 262 29 29 SER CA C 61.437 0.300 1 263 29 29 SER HA H 4.180 0.030 1 264 29 29 SER CB C 62.744 0.300 1 265 29 29 SER HB3 H 3.913 0.030 1 266 29 29 SER C C 176.740 0.300 1 267 29 29 SER HB2 H 3.913 0.030 1 268 30 30 HIS N N 123.202 0.300 1 269 30 30 HIS H H 7.860 0.030 1 270 30 30 HIS CA C 59.371 0.300 1 271 30 30 HIS HA H 4.185 0.030 1 272 30 30 HIS CB C 28.178 0.300 1 273 30 30 HIS HB3 H 3.298 0.030 2 274 30 30 HIS CD2 C 127.344 0.300 1 275 30 30 HIS HD2 H 7.021 0.030 1 276 30 30 HIS CE1 C 139.429 0.300 1 277 30 30 HIS HE1 H 8.046 0.030 1 278 30 30 HIS C C 176.119 0.300 1 279 30 30 HIS HB2 H 2.835 0.030 2 280 31 31 LEU N N 117.061 0.300 1 281 31 31 LEU H H 8.307 0.030 1 282 31 31 LEU CA C 58.168 0.300 1 283 31 31 LEU HA H 3.836 0.030 1 284 31 31 LEU CB C 42.239 0.300 1 285 31 31 LEU HB3 H 1.585 0.030 2 286 31 31 LEU CG C 27.097 0.300 1 287 31 31 LEU HG H 2.078 0.030 1 288 31 31 LEU CD1 C 25.626 0.300 2 289 31 31 LEU HD1 H 1.038 0.030 1 290 31 31 LEU CD2 C 24.857 0.300 2 291 31 31 LEU HD2 H 1.307 0.030 1 292 31 31 LEU C C 178.830 0.300 1 293 31 31 LEU HB2 H 1.921 0.030 2 294 32 32 ARG N N 116.244 0.300 1 295 32 32 ARG H H 7.111 0.030 1 296 32 32 ARG CA C 58.407 0.300 1 297 32 32 ARG HA H 4.107 0.030 1 298 32 32 ARG CB C 30.079 0.300 1 299 32 32 ARG HB3 H 1.859 0.030 2 300 32 32 ARG CG C 27.472 0.300 1 301 32 32 ARG HG3 H 1.682 0.030 2 302 32 32 ARG CD C 43.421 0.300 1 303 32 32 ARG HD3 H 3.238 0.030 1 304 32 32 ARG C C 178.721 0.300 1 305 32 32 ARG HB2 H 1.894 0.030 2 306 32 32 ARG HD2 H 3.238 0.030 1 307 32 32 ARG HG2 H 1.814 0.030 2 308 33 33 ILE N N 116.545 0.300 1 309 33 33 ILE H H 7.956 0.030 1 310 33 33 ILE CA C 63.045 0.300 1 311 33 33 ILE HA H 4.000 0.030 1 312 33 33 ILE CB C 37.627 0.300 1 313 33 33 ILE HB H 1.733 0.030 1 314 33 33 ILE CG1 C 26.544 0.300 1 315 33 33 ILE HG13 H 0.961 0.030 2 316 33 33 ILE CG2 C 16.542 0.300 1 317 33 33 ILE HG2 H 0.618 0.030 1 318 33 33 ILE CD1 C 14.291 0.300 1 319 33 33 ILE HD1 H 0.688 0.030 1 320 33 33 ILE C C 177.439 0.300 1 321 33 33 ILE HG12 H 0.746 0.030 2 322 34 34 HIS N N 117.690 0.300 1 323 34 34 HIS H H 7.296 0.030 1 324 34 34 HIS CA C 55.177 0.300 1 325 34 34 HIS HA H 4.881 0.030 1 326 34 34 HIS CB C 28.970 0.300 1 327 34 34 HIS HB3 H 3.216 0.030 2 328 34 34 HIS CD2 C 128.030 0.300 1 329 34 34 HIS HD2 H 6.742 0.030 1 330 34 34 HIS CE1 C 140.303 0.300 1 331 34 34 HIS HE1 H 8.117 0.030 1 332 34 34 HIS C C 175.551 0.300 1 333 34 34 HIS HB2 H 3.363 0.030 2 334 35 35 THR N N 112.173 0.300 1 335 35 35 THR H H 7.832 0.030 1 336 35 35 THR CA C 62.557 0.300 1 337 35 35 THR HA H 4.368 0.030 1 338 35 35 THR CB C 69.896 0.300 1 339 35 35 THR HB H 4.318 0.030 1 340 35 35 THR CG2 C 21.466 0.300 1 341 35 35 THR HG2 H 1.253 0.030 1 342 35 35 THR C C 175.372 0.300 1 343 36 36 GLY N N 111.215 0.300 1 344 36 36 GLY H H 8.360 0.030 1 345 36 36 GLY CA C 45.502 0.300 1 346 36 36 GLY HA3 H 3.915 0.030 2 347 36 36 GLY C C 174.238 0.300 1 348 36 36 GLY HA2 H 4.055 0.030 2 349 37 37 SER N N 115.499 0.300 1 350 37 37 SER H H 8.243 0.030 1 351 37 37 SER CA C 58.511 0.300 1 352 37 37 SER HA H 4.504 0.030 1 353 37 37 SER CB C 63.971 0.300 1 354 37 37 SER HB3 H 3.896 0.030 1 355 37 37 SER C C 174.565 0.300 1 356 37 37 SER HB2 H 3.896 0.030 1 357 38 38 GLY N N 110.692 0.300 1 358 38 38 GLY H H 8.325 0.030 1 359 38 38 GLY CA C 44.654 0.300 1 360 38 38 GLY HA3 H 4.157 0.030 2 361 38 38 GLY C C 171.814 0.300 1 362 38 38 GLY HA2 H 4.109 0.030 2 363 39 39 PRO CA C 63.274 0.300 1 364 39 39 PRO HA H 4.483 0.030 1 365 39 39 PRO CB C 32.251 0.300 1 366 39 39 PRO HB3 H 1.985 0.030 2 367 39 39 PRO CG C 27.145 0.300 1 368 39 39 PRO HG3 H 2.027 0.030 1 369 39 39 PRO CD C 49.807 0.300 1 370 39 39 PRO HD3 H 3.636 0.030 1 371 39 39 PRO C C 177.359 0.300 1 372 39 39 PRO HB2 H 2.304 0.030 2 373 39 39 PRO HD2 H 3.636 0.030 1 374 39 39 PRO HG2 H 2.027 0.030 1 375 40 40 SER N N 116.333 0.300 1 376 40 40 SER H H 8.515 0.030 1 377 40 40 SER C C 174.578 0.300 1 stop_ save_