data_6289 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the Free Zinc Binding C-terminal Domain of SecA ; _BMRB_accession_number 6289 _BMRB_flat_file_name bmr6289.str _Entry_type original _Submission_date 2004-08-13 _Accession_date 2004-08-13 _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 Matousek William M. . 2 Alexandrescu Andrei T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 109 "13C chemical shifts" 55 "15N chemical shifts" 18 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-16 update author 'update entry citation' 2004-09-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the C-terminal domain of SecA in the free state.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15488768 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matousek William M. . 2 Alexandrescu Andrei T. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1702 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 163 _Page_last 171 _Year 2004 _Details . loop_ _Keyword 'beta hairpin' SecA 'zinc finger' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system_SecA_Ct _Saveframe_category molecular_system _Mol_system_name SecA_Ct _Abbreviation_common SecA_Ct _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SecA_Ct $SecA_Ct 'Zinc ion' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details 'C-terminal 22 residue domains of SecA from E. coli.' save_ ######################## # Monomeric polymers # ######################## save_SecA_Ct _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SecA_Ct _Abbreviation_common SecA_Ct _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; GRNDPCPCGSGKKYKQCHGR LQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ARG 3 ASN 4 ASP 5 PRO 6 CYS 7 PRO 8 CYS 9 GLY 10 SER 11 GLY 12 LYS 13 LYS 14 TYR 15 LYS 16 GLN 17 CYS 18 HIS 19 GLY 20 ARG 21 LEU 22 GLN stop_ _Sequence_homology_query_date 2010-09-18 _Sequence_homology_query_revised_last_date 2009-12-05 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 SP A4G8S7 'RecName: Full=Protein translocase subunit secA' 95.45 921 100.00 100.00 8.28e-07 SP A4TQ74 'RecName: Full=Protein translocase subunit secA' 100.00 904 100.00 100.00 1.77e-07 SP A1JJK2 'RecName: Full=Protein translocase subunit secA' 100.00 904 100.00 100.00 1.77e-07 SP A2SJF9 'RecName: Full=Protein translocase subunit secA' 95.45 918 100.00 100.00 8.28e-07 REF NP_454748 'preprotein translocase subunit SecA [Salmonella enterica subsp. enterica serovar Typhi str. CT18]' 95.45 901 100.00 100.00 8.28e-07 SP A1A7E3 'RecName: Full=Protein translocase subunit secA' 100.00 901 100.00 100.00 1.77e-07 REF NP_308129 'preprotein translocase subunit SecA [Escherichia coli O157:H7 str. Sakai]' 100.00 901 100.00 100.00 1.77e-07 REF NP_414640 'preprotein translocase subunit, ATPase [Escherichia coli str. K-12 substr. MG1655]' 100.00 901 100.00 100.00 1.77e-07 REF AP_000761 'preprotein translocase subunit, ATPase that targets protein precursors to the SecYE core translocon [Escherichia coli str. K-1' 100.00 901 100.00 100.00 1.77e-07 REF NP_285794 'preprotein translocase subunit SecA [Escherichia coli O157:H7 EDL933]' 100.00 901 100.00 100.00 1.77e-07 GB AAM87165 'preprotein translocase; secretion protein [Yersinia pestis KIM 10]' 100.00 904 100.00 100.00 1.77e-07 PIR AE0519 'preprotein translocase SecA chain [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)' 95.45 901 100.00 100.00 8.28e-07 GB AAG54402 'preprotein translocase; secretion protein [Escherichia coli O157:H7 EDL933]' 100.00 901 100.00 100.00 1.77e-07 GB AAL19100 'preprotein translocase; secretion protein of IISP family [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]' 95.45 901 100.00 100.00 8.28e-07 GB AAA24619 'secA protein [Escherichia coli]' 100.00 901 100.00 100.00 1.77e-07 GB AAC73209 'preprotein translocase subunit, ATPase [Escherichia coli str. K-12 substr. MG1655]' 100.00 901 100.00 100.00 1.77e-07 EMBL CAH19937 'Type II general secretory pathway preprotein translocase ATPase subunit secA [Yersinia pseudotuberculosis IP 32953]' 100.00 904 100.00 100.00 1.77e-07 EMBL CAL10790 'preprotein translocase SecA [Yersinia enterocolitica subsp. enterocolitica 8081]' 100.00 904 100.00 100.00 1.77e-07 EMBL CAD01293 'preprotein translocase SecA subunit [Salmonella enterica subsp. enterica serovar Typhi]' 95.45 901 100.00 100.00 8.28e-07 EMBL CAG76705 'preprotein translocase SecA subunit [Pectobacterium atrosepticum SCRI1043]' 100.00 900 100.00 100.00 1.77e-07 DBJ BAI23462 'preprotein translocase subunit SecA [Escherichia coli O26:H11 str. 11368]' 100.00 901 100.00 100.00 1.77e-07 EMBL CAA38875 'SecA protein [Escherichia coli]' 100.00 901 100.00 100.00 1.77e-07 DBJ BAG75624 'preprotein translocase SecA [Escherichia coli SE11]' 100.00 901 100.00 100.00 1.77e-07 DBJ BAH61745 'preprotein translocase ATPase subunit [Klebsiella pneumoniae NTUH-K2044]' 95.45 901 100.00 100.00 8.28e-07 DBJ BAB33525 'preprotein translocase SecA [Escherichia coli O157:H7 str. Sakai]' 100.00 901 100.00 100.00 1.77e-07 DBJ BAB96666 'preprotein translocase subunit, ATPase that targets protein precursors to the SecYE core translocon [Escherichia coli str. K12' 100.00 901 100.00 100.00 1.77e-07 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 Wed Jun 15 12:20:01 2011 ; 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 $SecA_Ct 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SecA_Ct 'chemical synthesis' . . . . . 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 $SecA_Ct 2.5 mM . 'zinc chloride' 2.7 mM . 'potassium phosphate' 10 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_VNMR _Saveframe_category software _Name VNMR _Version . _Details . save_ save_software_Felix _Saveframe_category software _Name FELIX _Version 2000 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H NOESY' _Sample_label $sample_1 save_ save_2D_1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H TOCSY' _Sample_label $sample_1 save_ save_natural_abundance_1H15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'natural abundance 1H15N HSQC' _Sample_label $sample_1 save_ save_1D_hydrogen_exchange_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1D hydrogen exchange' _Sample_label $sample_1 save_ save_natural_abundance_1H13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'natural abundance 1H13C HSQC' _Sample_label $sample_1 save_ save_1H_2D_ECOSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 2D ECOSY' _Sample_label $sample_1 save_ save_1H_2D_phase_sensitive_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 2D phase sensitive COSY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'natural abundance 1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1D hydrogen exchange' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'natural abundance 1H13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 2D ECOSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 2D phase sensitive COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 0 M pH 7.4 0.1 pH pressure 1 0 atm temperature 298 0.1 K stop_ save_ save_sample_condition_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 0 M pH 6.03 0.1 pH pressure 1 0 atm temperature 298 0.1 K stop_ save_ save_sample_condition_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 0 M pH 6.80 0.1 pH pressure 1 0 atm temperature 298 0.1 K stop_ save_ save_sample_condition_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 0 M pH 6.43 0.1 pH pressure 1 0 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 $entry_citation $entry_citation 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name SecA_Ct _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 . 1 GLY HA2 H 3.96 0.05 2 2 . 1 GLY HA3 H 3.90 0.05 2 3 . 1 GLY CA C 43.54 0.10 1 4 . 2 ARG HA H 4.14 0.05 1 5 . 2 ARG HB2 H 2.09 0.05 2 6 . 2 ARG HB3 H 1.93 0.05 2 7 . 2 ARG HG2 H 2.27 0.05 2 8 . 2 ARG CA C 56.88 0.10 1 9 . 2 ARG CB C 30.32 0.10 1 10 . 2 ARG N N 125.19 0.10 1 11 . 2 ARG H H 7.91 0.10 2 12 . 3 ASN HA H 4.87 0.05 1 13 . 3 ASN HB2 H 2.52 0.05 1 14 . 3 ASN HB3 H 2.79 0.05 1 15 . 3 ASN CA C 53.65 0.10 1 16 . 3 ASN CB C 40.29 0.10 1 17 . 3 ASN N N 120.13 0.10 1 18 . 3 ASN H H 7.69 0.10 1 19 . 4 ASP HA H 4.97 0.05 1 20 . 4 ASP HB2 H 2.69 0.05 1 21 . 4 ASP HB3 H 2.97 0.05 1 22 . 4 ASP CA C 52.93 0.10 1 23 . 4 ASP CB C 39.30 0.10 1 24 . 4 ASP N N 115.64 0.10 1 25 . 4 ASP H H 7.63 0.10 1 26 . 5 PRO HA H 4.35 0.05 1 27 . 5 PRO HB2 H 2.25 0.05 2 28 . 5 PRO HB3 H 1.76 0.05 2 29 . 5 PRO HG2 H 2.11 0.05 2 30 . 5 PRO HG3 H 1.97 0.05 2 31 . 5 PRO HD2 H 3.91 0.05 2 32 . 5 PRO HD3 H 3.60 0.05 2 33 . 5 PRO CA C 63.30 0.10 1 34 . 5 PRO CB C 32.05 0.10 1 35 . 5 PRO CG C 28.11 0.10 1 36 . 5 PRO CD C 50.70 0.10 1 37 . 6 CYS HA H 4.45 0.05 1 38 . 6 CYS HB2 H 2.43 0.05 1 39 . 6 CYS HB3 H 3.29 0.05 1 40 . 6 CYS CA C 59.78 0.10 1 41 . 6 CYS CB C 30.03 0.10 1 42 . 6 CYS N N 115.64 0.10 1 43 . 6 CYS H H 7.61 0.10 1 44 . 7 PRO HA H 4.45 0.05 1 45 . 7 PRO HB2 H 1.92 0.05 2 46 . 7 PRO HB3 H 2.33 0.05 2 47 . 7 PRO HG2 H 2.42 0.05 2 48 . 7 PRO HD2 H 4.47 0.05 2 49 . 7 PRO HD3 H 4.07 0.05 2 50 . 7 PRO CA C 64.80 0.10 1 51 . 7 PRO CB C 32.47 0.10 1 52 . 7 PRO CG C 29.86 0.10 1 53 . 7 PRO CD C 53.59 0.10 1 54 . 8 CYS HA H 4.60 0.05 1 55 . 8 CYS HB2 H 3.24 0.05 1 56 . 8 CYS HB3 H 2.86 0.05 1 57 . 8 CYS CA C 59.61 0.10 1 58 . 8 CYS CB C 31.25 0.10 1 59 . 8 CYS N N 127.40 0.10 1 60 . 8 CYS H H 9.37 0.10 1 61 . 9 GLY HA2 H 3.92 0.05 2 62 . 9 GLY HA3 H 4.34 0.05 2 63 . 9 GLY CA C 46.20 0.10 1 64 . 9 GLY N N 108.74 0.10 1 65 . 9 GLY H H 7.88 0.10 1 66 . 10 SER HA H 4.18 0.05 1 67 . 10 SER HB2 H 3.94 0.05 1 68 . 10 SER HB3 H 4.22 0.05 1 69 . 10 SER CA C 61.92 0.10 1 70 . 10 SER CB C 63.57 0.10 1 71 . 10 SER N N 118.96 0.10 1 72 . 10 SER H H 8.90 0.10 1 73 . 11 GLY HA2 H 4.36 0.05 2 74 . 11 GLY HA3 H 3.62 0.05 2 75 . 11 GLY CA C 45.19 0.10 1 76 . 11 GLY N N 111.50 0.10 1 77 . 11 GLY H H 9.46 0.10 1 78 . 12 LYS HA H 4.46 0.05 1 79 . 12 LYS HB2 H 1.53 0.05 1 80 . 12 LYS HB3 H 1.84 0.05 1 81 . 12 LYS HG2 H 1.98 0.05 2 82 . 12 LYS HG3 H 1.94 0.05 2 83 . 12 LYS HD2 H 1.41 0.05 2 84 . 12 LYS HE2 H 3.02 0.05 2 85 . 12 LYS CA C 55.04 0.10 1 86 . 12 LYS CB C 35.02 0.10 1 87 . 12 LYS CG C 27.43 0.10 1 88 . 12 LYS CE C 42.22 0.10 1 89 . 12 LYS N N 119.61 0.10 1 90 . 12 LYS H H 7.87 0.10 1 91 . 13 LYS HA H 4.24 0.05 1 92 . 13 LYS HB2 H 1.58 0.05 2 93 . 13 LYS HB3 H 2.01 0.05 2 94 . 13 LYS HG2 H 1.69 0.05 2 95 . 13 LYS HG3 H 1.41 0.05 2 96 . 13 LYS CA C 59.34 0.10 1 97 . 13 LYS CB C 33.49 0.10 1 98 . 13 LYS CG C 25.91 0.10 1 99 . 13 LYS N N 119.07 0.10 1 100 . 13 LYS H H 8.59 0.10 1 101 . 14 TYR HA H 4.51 0.05 1 102 . 14 TYR HB2 H 3.25 0.05 1 103 . 14 TYR HB3 H 3.19 0.05 1 104 . 14 TYR HD1 H 7.55 0.05 3 105 . 14 TYR HE1 H 6.79 0.05 3 106 . 14 TYR CA C 62.49 0.10 1 107 . 14 TYR CB C 38.95 0.10 1 108 . 14 TYR N N 124.01 0.10 1 109 . 14 TYR H H 9.31 0.10 1 110 . 15 LYS HA H 3.75 0.05 1 111 . 15 LYS HB2 H 1.96 0.05 2 112 . 15 LYS HB3 H 1.80 0.05 2 113 . 15 LYS HG2 H 1.39 0.05 2 114 . 15 LYS HG3 H 1.29 0.05 2 115 . 15 LYS HE2 H 2.97 0.05 2 116 . 15 LYS CA C 58.34 0.10 1 117 . 15 LYS CB C 31.75 0.10 1 118 . 15 LYS CG C 24.94 0.10 1 119 . 15 LYS CE C 42.18 0.10 1 120 . 15 LYS N N 123.71 0.10 1 121 . 15 LYS H H 8.80 0.10 1 122 . 16 GLN HA H 4.42 0.05 1 123 . 16 GLN HB2 H 1.98 0.05 1 124 . 16 GLN HB3 H 2.34 0.05 1 125 . 16 GLN HG2 H 2.42 0.05 2 126 . 16 GLN HG3 H 2.22 0.05 2 127 . 16 GLN CA C 59.78 0.10 1 128 . 16 GLN CB C 30.35 0.10 1 129 . 16 GLN CG C 34.64 0.10 1 130 . 16 GLN N N 114.96 0.10 1 131 . 16 GLN H H 7.50 0.10 1 132 . 17 CYS HA H 4.50 0.05 1 133 . 17 CYS HB2 H 2.53 0.05 1 134 . 17 CYS HB3 H 3.01 0.05 1 135 . 17 CYS CA C 60.34 0.10 1 136 . 17 CYS CB C 29.88 0.10 1 137 . 17 CYS N N 126.14 0.10 1 138 . 17 CYS H H 7.78 0.10 1 139 . 18 HIS HA H 4.23 0.05 1 140 . 18 HIS HB2 H 3.10 0.05 1 141 . 18 HIS HB3 H 3.44 0.05 1 142 . 18 HIS HD1 H 7.34 0.05 1 143 . 18 HIS HE1 H 7.98 0.05 1 144 . 18 HIS CA C 56.66 0.10 1 145 . 18 HIS CB C 26.69 0.10 1 146 . 18 HIS H H 8.85 0.10 1 147 . 18 HIS N N 114.75 0.10 1 148 . 19 GLY HA2 H 3.88 0.05 2 149 . 19 GLY HA3 H 1.95 0.05 2 150 . 19 GLY CA C 44.67 0.10 1 151 . 19 GLY N N 108.74 0.10 1 152 . 19 GLY H H 7.90 0.10 1 153 . 20 ARG HA H 4.16 0.05 1 154 . 20 ARG HB2 H 1.64 0.05 2 155 . 20 ARG HG2 H 1.55 0.05 2 156 . 20 ARG HG3 H 1.47 0.05 2 157 . 20 ARG HD2 H 3.10 0.05 2 158 . 20 ARG CA C 59.77 0.10 1 159 . 20 ARG CB C 30.98 0.10 1 160 . 20 ARG CG C 27.18 0.10 1 161 . 20 ARG CD C 43.62 0.10 1 162 . 20 ARG N N 119.06 0.10 1 163 . 20 ARG H H 6.82 0.10 2 164 . 21 LEU HA H 4.37 0.05 1 165 . 21 LEU HB2 H 1.63 0.05 2 166 . 21 LEU HG H 1.19 0.05 1 167 . 21 LEU HD1 H 0.92 0.05 2 168 . 21 LEU HD2 H 0.85 0.05 2 169 . 21 LEU CA C 55.19 0.10 1 170 . 21 LEU CB C 42.14 0.10 1 171 . 21 LEU CD1 C 25.16 0.10 2 172 . 21 LEU CD2 C 23.29 0.10 2 173 . 21 LEU H H 8.21 0.10 1 174 . 22 GLN HA H 4.14 0.05 1 175 . 22 GLN HB2 H 1.91 0.05 2 176 . 22 GLN HB3 H 2.12 0.05 2 177 . 22 GLN HG2 H 2.27 0.05 2 178 . 22 GLN CA C 57.14 0.10 1 179 . 22 GLN CB C 30.70 0.10 1 180 . 22 GLN CG C 34.36 0.10 1 181 . 22 GLN N N 125.01 0.10 1 182 . 22 GLN H H 7.76 0.10 1 stop_ save_