data_10306 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 1st zf-C2H2 domain from Human B-cell lymphoma 6 protein ; _BMRB_accession_number 10306 _BMRB_flat_file_name bmr10306.str _Entry_type new _Submission_date 2009-03-10 _Accession_date 2009-03-10 _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 Tomizawa T. . . 2 Sato M. . . 3 Saito K. . . 4 Koshiba S. . . 5 Watanabe S. . . 6 Harada T. . . 7 Kigawa T. . . 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" 198 "13C chemical shifts" 148 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 1st zf-C2H2 domain from 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 Tomizawa T. . . 2 Sato M. . . 3 Saito K. . . 4 Koshiba S. . . 5 Watanabe S. . . 6 Harada T. . . 7 Kigawa T. . . 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 'B-cell lymphoma 6 protein' _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 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; GSSGSSGNGAFFCNECDCRF SEEASLKRHTLQTHSDKSGP SSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 GLY 10 ALA 11 PHE 12 PHE 13 CYS 14 ASN 15 GLU 16 CYS 17 ASP 18 CYS 19 ARG 20 PHE 21 SER 22 GLU 23 GLU 24 ALA 25 SER 26 LEU 27 LYS 28 ARG 29 HIS 30 THR 31 LEU 32 GLN 33 THR 34 HIS 35 SER 36 ASP 37 LYS 38 SER 39 GLY 40 PRO 41 SER 42 SER 43 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2YRM "Solution Structure Of The 1st Zf-C2h2 Domain From Human B- Cell Lymphoma 6 Protein" 100.00 43 100.00 100.00 1.30e-20 REF XP_012383937 "PREDICTED: LOW QUALITY PROTEIN: B-cell lymphoma 6 protein [Dasypus novemcinctus]" 69.77 704 100.00 100.00 1.01e-11 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 Nov 18 21:04:59 2008 ; 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_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination 'zf-C2H2 domain' 13 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 16 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 29 HIS NE2 'ZINC ION' . . ZN single coordination 'zf-C2H2 domain' 34 HIS NE2 'ZINC ION' . . ZN stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'zf-C2H2 domain' 13 CYS HG 'zf-C2H2 domain' 16 CYS HG 'zf-C2H2 domain' 29 HIS HE2 'zf-C2H2 domain' 34 HIS HE2 stop_ 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 P070129-01 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 1.17 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . ZnCl2 0.05 mM . IDA 1 mM . 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 0.9825 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 'structure solution' refinement 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 8 8 ASN HA H 4.704 0.030 1 2 8 8 ASN HB2 H 2.701 0.030 2 3 8 8 ASN HB3 H 2.759 0.030 2 4 8 8 ASN HD21 H 7.519 0.030 2 5 8 8 ASN HD22 H 6.873 0.030 2 6 8 8 ASN C C 175.305 0.300 1 7 8 8 ASN CA C 52.979 0.300 1 8 8 8 ASN CB C 39.296 0.300 1 9 8 8 ASN ND2 N 112.683 0.300 1 10 9 9 GLY H H 8.208 0.030 1 11 9 9 GLY HA2 H 3.778 0.030 1 12 9 9 GLY HA3 H 3.778 0.030 1 13 9 9 GLY C C 173.286 0.300 1 14 9 9 GLY CA C 45.474 0.300 1 15 9 9 GLY N N 108.830 0.300 1 16 10 10 ALA H H 7.983 0.030 1 17 10 10 ALA HA H 4.249 0.030 1 18 10 10 ALA HB H 1.063 0.030 1 19 10 10 ALA C C 176.271 0.300 1 20 10 10 ALA CA C 52.346 0.300 1 21 10 10 ALA CB C 19.835 0.300 1 22 10 10 ALA N N 122.573 0.300 1 23 11 11 PHE H H 8.372 0.030 1 24 11 11 PHE HA H 4.645 0.030 1 25 11 11 PHE HB2 H 2.798 0.030 2 26 11 11 PHE HB3 H 2.954 0.030 2 27 11 11 PHE HD1 H 7.087 0.030 1 28 11 11 PHE HD2 H 7.087 0.030 1 29 11 11 PHE HE1 H 7.368 0.030 1 30 11 11 PHE HE2 H 7.368 0.030 1 31 11 11 PHE HZ H 7.373 0.030 1 32 11 11 PHE C C 174.602 0.300 1 33 11 11 PHE CA C 57.211 0.300 1 34 11 11 PHE CB C 39.588 0.300 1 35 11 11 PHE CD1 C 131.628 0.300 1 36 11 11 PHE CD2 C 131.628 0.300 1 37 11 11 PHE CE1 C 131.486 0.300 1 38 11 11 PHE CE2 C 131.486 0.300 1 39 11 11 PHE CZ C 130.199 0.300 1 40 11 11 PHE N N 118.009 0.300 1 41 12 12 PHE H H 8.665 0.030 1 42 12 12 PHE HA H 4.971 0.030 1 43 12 12 PHE HB2 H 3.003 0.030 2 44 12 12 PHE HB3 H 3.044 0.030 2 45 12 12 PHE HD1 H 7.161 0.030 1 46 12 12 PHE HD2 H 7.161 0.030 1 47 12 12 PHE HE1 H 7.267 0.030 1 48 12 12 PHE HE2 H 7.267 0.030 1 49 12 12 PHE HZ H 7.229 0.030 1 50 12 12 PHE C C 174.245 0.300 1 51 12 12 PHE CA C 56.601 0.300 1 52 12 12 PHE CB C 40.635 0.300 1 53 12 12 PHE CD1 C 132.044 0.300 1 54 12 12 PHE CD2 C 132.044 0.300 1 55 12 12 PHE CE1 C 131.139 0.300 1 56 12 12 PHE CE2 C 131.139 0.300 1 57 12 12 PHE CZ C 129.644 0.300 1 58 12 12 PHE N N 122.793 0.300 1 59 13 13 CYS H H 8.432 0.030 1 60 13 13 CYS HA H 4.489 0.030 1 61 13 13 CYS HB2 H 3.331 0.030 2 62 13 13 CYS HB3 H 2.670 0.030 2 63 13 13 CYS C C 175.524 0.300 1 64 13 13 CYS CA C 59.872 0.300 1 65 13 13 CYS CB C 29.494 0.300 1 66 13 13 CYS N N 124.080 0.300 1 67 14 14 ASN H H 8.911 0.030 1 68 14 14 ASN HA H 4.801 0.030 1 69 14 14 ASN HB2 H 2.920 0.030 1 70 14 14 ASN HB3 H 2.920 0.030 1 71 14 14 ASN HD21 H 7.651 0.030 2 72 14 14 ASN HD22 H 6.955 0.030 2 73 14 14 ASN C C 175.769 0.300 1 74 14 14 ASN CA C 54.791 0.300 1 75 14 14 ASN CB C 38.946 0.300 1 76 14 14 ASN N N 125.593 0.300 1 77 14 14 ASN ND2 N 112.919 0.300 1 78 15 15 GLU H H 9.367 0.030 1 79 15 15 GLU HA H 4.387 0.030 1 80 15 15 GLU HB2 H 1.594 0.030 2 81 15 15 GLU HB3 H 0.730 0.030 2 82 15 15 GLU HG2 H 1.913 0.030 1 83 15 15 GLU HG3 H 1.913 0.030 1 84 15 15 GLU C C 175.728 0.300 1 85 15 15 GLU CA C 57.090 0.300 1 86 15 15 GLU CB C 30.512 0.300 1 87 15 15 GLU CG C 36.632 0.300 1 88 15 15 GLU N N 121.450 0.300 1 89 16 16 CYS H H 7.976 0.030 1 90 16 16 CYS HA H 4.931 0.030 1 91 16 16 CYS HB2 H 3.294 0.030 2 92 16 16 CYS HB3 H 3.370 0.030 2 93 16 16 CYS C C 173.444 0.300 1 94 16 16 CYS CA C 58.791 0.300 1 95 16 16 CYS CB C 30.453 0.300 1 96 16 16 CYS N N 119.139 0.300 1 97 17 17 ASP H H 8.140 0.030 1 98 17 17 ASP HA H 4.746 0.030 1 99 17 17 ASP HB2 H 2.756 0.030 2 100 17 17 ASP HB3 H 2.857 0.030 2 101 17 17 ASP C C 176.536 0.300 1 102 17 17 ASP CA C 54.996 0.300 1 103 17 17 ASP CB C 40.571 0.300 1 104 17 17 ASP N N 116.601 0.300 1 105 18 18 CYS H H 8.346 0.030 1 106 18 18 CYS HA H 4.188 0.030 1 107 18 18 CYS HB2 H 2.247 0.030 2 108 18 18 CYS HB3 H 2.331 0.030 2 109 18 18 CYS C C 172.969 0.300 1 110 18 18 CYS CA C 61.885 0.300 1 111 18 18 CYS CB C 29.122 0.300 1 112 18 18 CYS N N 119.739 0.300 1 113 19 19 ARG H H 7.825 0.030 1 114 19 19 ARG HA H 4.770 0.030 1 115 19 19 ARG HB2 H 1.252 0.030 2 116 19 19 ARG HB3 H 1.457 0.030 2 117 19 19 ARG HD2 H 2.918 0.030 2 118 19 19 ARG HD3 H 2.957 0.030 2 119 19 19 ARG HG2 H 1.159 0.030 2 120 19 19 ARG HG3 H 1.229 0.030 2 121 19 19 ARG C C 174.153 0.300 1 122 19 19 ARG CA C 54.520 0.300 1 123 19 19 ARG CB C 33.473 0.300 1 124 19 19 ARG CD C 43.593 0.300 1 125 19 19 ARG CG C 26.444 0.300 1 126 19 19 ARG N N 120.755 0.300 1 127 20 20 PHE H H 8.702 0.030 1 128 20 20 PHE HA H 4.827 0.030 1 129 20 20 PHE HB2 H 2.597 0.030 2 130 20 20 PHE HB3 H 3.450 0.030 2 131 20 20 PHE HD1 H 7.135 0.030 1 132 20 20 PHE HD2 H 7.135 0.030 1 133 20 20 PHE HE1 H 6.836 0.030 1 134 20 20 PHE HE2 H 6.836 0.030 1 135 20 20 PHE HZ H 6.306 0.030 1 136 20 20 PHE C C 175.353 0.300 1 137 20 20 PHE CA C 57.130 0.300 1 138 20 20 PHE CB C 43.835 0.300 1 139 20 20 PHE CD1 C 132.337 0.300 1 140 20 20 PHE CD2 C 132.337 0.300 1 141 20 20 PHE CE1 C 130.762 0.300 1 142 20 20 PHE CE2 C 130.762 0.300 1 143 20 20 PHE CZ C 129.149 0.300 1 144 20 20 PHE N N 117.760 0.300 1 145 21 21 SER HA H 4.812 0.030 1 146 21 21 SER HB2 H 4.011 0.030 2 147 21 21 SER HB3 H 4.133 0.030 2 148 21 21 SER C C 174.026 0.300 1 149 21 21 SER CA C 59.351 0.300 1 150 21 21 SER CB C 64.080 0.300 1 151 22 22 GLU H H 7.358 0.030 1 152 22 22 GLU HA H 4.525 0.030 1 153 22 22 GLU HB2 H 2.231 0.030 2 154 22 22 GLU HB3 H 2.008 0.030 2 155 22 22 GLU HG2 H 2.260 0.030 1 156 22 22 GLU HG3 H 2.260 0.030 1 157 22 22 GLU C C 175.475 0.300 1 158 22 22 GLU CA C 54.589 0.300 1 159 22 22 GLU CB C 31.572 0.300 1 160 22 22 GLU CG C 35.477 0.300 1 161 22 22 GLU N N 116.066 0.300 1 162 23 23 GLU H H 8.349 0.030 1 163 23 23 GLU HA H 2.908 0.030 1 164 23 23 GLU HB2 H 1.624 0.030 2 165 23 23 GLU HB3 H 1.399 0.030 2 166 23 23 GLU HG2 H 1.915 0.030 1 167 23 23 GLU HG3 H 1.915 0.030 1 168 23 23 GLU C C 178.532 0.300 1 169 23 23 GLU CA C 59.461 0.300 1 170 23 23 GLU CB C 29.411 0.300 1 171 23 23 GLU CG C 36.501 0.300 1 172 23 23 GLU N N 125.063 0.300 1 173 24 24 ALA H H 8.709 0.030 1 174 24 24 ALA HA H 3.944 0.030 1 175 24 24 ALA HB H 1.373 0.030 1 176 24 24 ALA C C 180.840 0.300 1 177 24 24 ALA CA C 55.339 0.300 1 178 24 24 ALA CB C 18.078 0.300 1 179 24 24 ALA N N 120.407 0.300 1 180 25 25 SER H H 7.482 0.030 1 181 25 25 SER HA H 4.100 0.030 1 182 25 25 SER HB2 H 4.014 0.030 2 183 25 25 SER HB3 H 3.897 0.030 2 184 25 25 SER C C 176.290 0.300 1 185 25 25 SER CA C 61.169 0.300 1 186 25 25 SER CB C 62.296 0.300 1 187 25 25 SER N N 113.501 0.300 1 188 26 26 LEU H H 6.817 0.030 1 189 26 26 LEU HA H 3.140 0.030 1 190 26 26 LEU HB2 H 1.950 0.030 2 191 26 26 LEU HB3 H 1.167 0.030 2 192 26 26 LEU HD1 H 1.044 0.030 1 193 26 26 LEU HD2 H 0.952 0.030 1 194 26 26 LEU HG H 1.578 0.030 1 195 26 26 LEU C C 177.653 0.300 1 196 26 26 LEU CA C 57.785 0.300 1 197 26 26 LEU CB C 40.289 0.300 1 198 26 26 LEU CD1 C 26.861 0.300 2 199 26 26 LEU CD2 C 22.430 0.300 2 200 26 26 LEU CG C 27.621 0.300 1 201 26 26 LEU N N 124.744 0.300 1 202 27 27 LYS H H 8.205 0.030 1 203 27 27 LYS HA H 3.980 0.030 1 204 27 27 LYS HB2 H 1.803 0.030 1 205 27 27 LYS HB3 H 1.803 0.030 1 206 27 27 LYS HD2 H 1.620 0.030 1 207 27 27 LYS HD3 H 1.620 0.030 1 208 27 27 LYS HE2 H 2.890 0.030 1 209 27 27 LYS HE3 H 2.890 0.030 1 210 27 27 LYS HG2 H 1.391 0.030 2 211 27 27 LYS HG3 H 1.481 0.030 2 212 27 27 LYS C C 178.983 0.300 1 213 27 27 LYS CA C 59.718 0.300 1 214 27 27 LYS CB C 31.751 0.300 1 215 27 27 LYS CD C 28.951 0.300 1 216 27 27 LYS CE C 42.052 0.300 1 217 27 27 LYS CG C 25.274 0.300 1 218 27 27 LYS N N 120.149 0.300 1 219 28 28 ARG H H 7.659 0.030 1 220 28 28 ARG HA H 3.969 0.030 1 221 28 28 ARG HB2 H 1.761 0.030 2 222 28 28 ARG HB3 H 1.814 0.030 2 223 28 28 ARG HD2 H 3.223 0.030 2 224 28 28 ARG HD3 H 3.171 0.030 2 225 28 28 ARG HG2 H 1.525 0.030 2 226 28 28 ARG HG3 H 1.725 0.030 2 227 28 28 ARG C C 177.870 0.300 1 228 28 28 ARG CA C 59.583 0.300 1 229 28 28 ARG CB C 30.106 0.300 1 230 28 28 ARG CD C 43.360 0.300 1 231 28 28 ARG CG C 27.527 0.300 1 232 28 28 ARG N N 118.404 0.300 1 233 29 29 HIS H H 7.608 0.030 1 234 29 29 HIS HA H 4.310 0.030 1 235 29 29 HIS HB2 H 3.279 0.030 2 236 29 29 HIS HB3 H 2.946 0.030 2 237 29 29 HIS HD2 H 7.121 0.030 1 238 29 29 HIS HE1 H 8.082 0.030 1 239 29 29 HIS C C 177.871 0.300 1 240 29 29 HIS CA C 59.501 0.300 1 241 29 29 HIS CB C 28.649 0.300 1 242 29 29 HIS CD2 C 127.409 0.300 1 243 29 29 HIS CE1 C 140.576 0.300 1 244 29 29 HIS N N 118.255 0.300 1 245 30 30 THR H H 8.941 0.030 1 246 30 30 THR HA H 3.635 0.030 1 247 30 30 THR HB H 4.294 0.030 1 248 30 30 THR HG2 H 1.398 0.030 1 249 30 30 THR C C 176.615 0.300 1 250 30 30 THR CA C 67.803 0.300 1 251 30 30 THR CB C 68.650 0.300 1 252 30 30 THR CG2 C 22.166 0.300 1 253 30 30 THR N N 118.436 0.300 1 254 31 31 LEU H H 7.749 0.030 1 255 31 31 LEU HA H 4.068 0.030 1 256 31 31 LEU HB2 H 1.628 0.030 2 257 31 31 LEU HB3 H 1.768 0.030 2 258 31 31 LEU HD1 H 0.866 0.030 1 259 31 31 LEU HD2 H 0.871 0.030 1 260 31 31 LEU HG H 1.669 0.030 1 261 31 31 LEU C C 178.775 0.300 1 262 31 31 LEU CA C 57.690 0.300 1 263 31 31 LEU CB C 42.228 0.300 1 264 31 31 LEU CD1 C 23.872 0.300 2 265 31 31 LEU CD2 C 24.697 0.300 2 266 31 31 LEU CG C 26.961 0.300 1 267 31 31 LEU N N 121.775 0.300 1 268 32 32 GLN H H 7.928 0.030 1 269 32 32 GLN HA H 4.129 0.030 1 270 32 32 GLN HB2 H 2.031 0.030 1 271 32 32 GLN HB3 H 2.031 0.030 1 272 32 32 GLN HE21 H 7.423 0.030 2 273 32 32 GLN HE22 H 6.808 0.030 2 274 32 32 GLN HG2 H 2.344 0.030 2 275 32 32 GLN HG3 H 2.487 0.030 2 276 32 32 GLN C C 177.768 0.300 1 277 32 32 GLN CA C 57.811 0.300 1 278 32 32 GLN CB C 29.591 0.300 1 279 32 32 GLN CG C 34.130 0.300 1 280 32 32 GLN N N 114.842 0.300 1 281 32 32 GLN NE2 N 111.208 0.300 1 282 33 33 THR H H 7.944 0.030 1 283 33 33 THR HA H 4.125 0.030 1 284 33 33 THR HB H 2.695 0.030 1 285 33 33 THR HG2 H 0.710 0.030 1 286 33 33 THR C C 174.140 0.300 1 287 33 33 THR CA C 64.315 0.300 1 288 33 33 THR CB C 69.889 0.300 1 289 33 33 THR CG2 C 21.822 0.300 1 290 33 33 THR N N 112.017 0.300 1 291 34 34 HIS H H 7.619 0.030 1 292 34 34 HIS HA H 5.236 0.030 1 293 34 34 HIS HB2 H 3.425 0.030 2 294 34 34 HIS HB3 H 3.091 0.030 2 295 34 34 HIS HD2 H 6.640 0.030 1 296 34 34 HIS HE1 H 7.906 0.030 1 297 34 34 HIS C C 175.084 0.300 1 298 34 34 HIS CA C 53.809 0.300 1 299 34 34 HIS CB C 29.267 0.300 1 300 34 34 HIS CD2 C 127.769 0.300 1 301 34 34 HIS CE1 C 139.629 0.300 1 302 34 34 HIS N N 117.860 0.300 1 303 35 35 SER H H 7.904 0.030 1 304 35 35 SER HA H 4.506 0.030 1 305 35 35 SER HB2 H 3.969 0.030 1 306 35 35 SER HB3 H 3.969 0.030 1 307 35 35 SER C C 174.284 0.300 1 308 35 35 SER CA C 59.035 0.300 1 309 35 35 SER CB C 63.953 0.300 1 310 35 35 SER N N 115.279 0.300 1 311 36 36 ASP H H 8.540 0.030 1 312 36 36 ASP HA H 4.590 0.030 1 313 36 36 ASP HB2 H 2.698 0.030 1 314 36 36 ASP HB3 H 2.698 0.030 1 315 36 36 ASP C C 176.471 0.300 1 316 36 36 ASP CA C 54.500 0.300 1 317 36 36 ASP CB C 40.788 0.300 1 318 36 36 ASP N N 121.908 0.300 1 319 37 37 LYS H H 8.274 0.030 1 320 37 37 LYS HA H 4.398 0.030 1 321 37 37 LYS HB2 H 1.756 0.030 2 322 37 37 LYS HB3 H 1.927 0.030 2 323 37 37 LYS HD2 H 1.657 0.030 1 324 37 37 LYS HD3 H 1.657 0.030 1 325 37 37 LYS HE2 H 3.003 0.030 1 326 37 37 LYS HE3 H 3.003 0.030 1 327 37 37 LYS HG2 H 1.435 0.030 1 328 37 37 LYS HG3 H 1.435 0.030 1 329 37 37 LYS C C 176.740 0.300 1 330 37 37 LYS CA C 56.004 0.300 1 331 37 37 LYS CB C 32.587 0.300 1 332 37 37 LYS CD C 28.816 0.300 1 333 37 37 LYS CE C 42.233 0.300 1 334 37 37 LYS CG C 24.552 0.300 1 335 37 37 LYS N N 121.853 0.300 1 336 38 38 SER H H 8.297 0.030 1 337 38 38 SER HA H 4.472 0.030 1 338 38 38 SER HB2 H 3.876 0.030 1 339 38 38 SER HB3 H 3.876 0.030 1 340 38 38 SER C C 174.611 0.300 1 341 38 38 SER CA C 58.676 0.300 1 342 38 38 SER CB C 64.008 0.300 1 343 38 38 SER N N 116.619 0.300 1 344 39 39 GLY H H 8.229 0.030 1 345 39 39 GLY HA2 H 4.177 0.030 2 346 39 39 GLY HA3 H 4.078 0.030 2 347 39 39 GLY C C 171.790 0.300 1 348 39 39 GLY CA C 44.715 0.300 1 349 39 39 GLY N N 110.648 0.300 1 350 40 40 PRO HA H 4.484 0.030 1 351 40 40 PRO HB2 H 2.299 0.030 2 352 40 40 PRO HB3 H 1.976 0.030 2 353 40 40 PRO HD2 H 3.637 0.030 1 354 40 40 PRO HD3 H 3.637 0.030 1 355 40 40 PRO HG2 H 2.021 0.030 1 356 40 40 PRO HG3 H 2.021 0.030 1 357 40 40 PRO C C 177.416 0.300 1 358 40 40 PRO CA C 63.265 0.300 1 359 40 40 PRO CB C 32.219 0.300 1 360 40 40 PRO CD C 49.842 0.300 1 361 40 40 PRO CG C 27.174 0.300 1 362 41 41 SER H H 8.521 0.030 1 363 41 41 SER HA H 4.510 0.030 1 364 41 41 SER HB2 H 3.900 0.030 1 365 41 41 SER HB3 H 3.900 0.030 1 366 41 41 SER C C 174.698 0.300 1 367 41 41 SER CA C 58.354 0.300 1 368 41 41 SER CB C 63.971 0.300 1 369 41 41 SER N N 116.426 0.300 1 370 42 42 SER HA H 4.502 0.030 1 371 42 42 SER HB2 H 3.876 0.030 1 372 42 42 SER HB3 H 3.876 0.030 1 373 42 42 SER C C 173.915 0.300 1 374 42 42 SER CA C 58.372 0.300 1 375 42 42 SER CB C 64.043 0.300 1 376 43 43 GLY H H 8.045 0.030 1 377 43 43 GLY HA2 H 3.757 0.030 2 378 43 43 GLY HA3 H 3.798 0.030 2 379 43 43 GLY C C 178.972 0.300 1 380 43 43 GLY CA C 46.222 0.300 1 381 43 43 GLY N N 116.884 0.300 1 stop_ save_