data_15900 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MMP23, a metalloprotease with a toxin-like potassium channel blocking domain and immunomodulatory role with relevance in prostate cancer ; _BMRB_accession_number 15900 _BMRB_flat_file_name bmr15900.str _Entry_type new _Submission_date 2008-07-31 _Accession_date 2008-07-31 _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 Khoo Keith K. . 2 Feng Zhiping . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 236 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2010-03-16 update BMRB 'completed entry citation' 2009-12-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Potassium channel modulation by a toxin domain in matrix metalloprotease 23.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19965868 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rangaraju Srikant . . 2 Khoo Keith K. . 3 Feng Zhi-Ping . . 4 Crossley George . . 5 Nugent Daniel . . 6 Khaytin Ilya . . 7 Chi Victor . . 8 Pham Cory . . 9 Calabresi Peter . . 10 Pennington Michael W. . 11 Norton Raymond S. . 12 Chandy 'K. George' . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9124 _Page_last 9136 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MMP23-BgK _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MMP23-BgK $MMP23-BgK 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_MMP23-BgK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MMP23-BgK _Molecular_mass 4442.344 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; YGCLDRIFVCTSWARKGFCD VRQRLMKRLCPRSCDFC ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 GLY 3 CYS 4 LEU 5 ASP 6 ARG 7 ILE 8 PHE 9 VAL 10 CYS 11 THR 12 SER 13 TRP 14 ALA 15 ARG 16 LYS 17 GLY 18 PHE 19 CYS 20 ASP 21 VAL 22 ARG 23 GLN 24 ARG 25 LEU 26 MET 27 LYS 28 ARG 29 LEU 30 CYS 31 PRO 32 ARG 33 SER 34 CYS 35 ASP 36 PHE 37 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 2K72 "Solution Nmr Structure Of Toxin-Like Potassium Channel Blocking Domain In Mmp23" 100.00 37 100.00 100.00 3.95e-17 DBJ BAA24832 "MIFR [Rattus norvegicus]" 100.00 391 100.00 100.00 5.13e-17 DBJ BAE27223 "unnamed protein product [Mus musculus]" 100.00 391 97.30 97.30 1.96e-16 GB AAC34886 "CAMP metalloproteinase [Mus musculus]" 100.00 391 97.30 97.30 1.96e-16 GB AAH86586 "Matrix metallopeptidase 23 [Rattus norvegicus]" 100.00 391 100.00 100.00 5.13e-17 GB AAI07358 "Matrix metallopeptidase 23 [Mus musculus]" 100.00 391 97.30 97.30 1.96e-16 GB AAI07359 "Mmp23 protein [Mus musculus]" 100.00 377 97.30 97.30 1.63e-16 GB EDL15021 "matrix metallopeptidase 23 [Mus musculus]" 100.00 391 97.30 97.30 1.96e-16 REF NP_036115 "matrix metalloproteinase-23 [Mus musculus]" 100.00 391 97.30 97.30 1.96e-16 REF NP_446058 "matrix metalloproteinase-23 [Rattus norvegicus]" 100.00 391 100.00 100.00 5.13e-17 REF XP_006538942 "PREDICTED: matrix metalloproteinase-23 isoform X2 [Mus musculus]" 100.00 420 97.30 97.30 3.87e-18 REF XP_006538943 "PREDICTED: matrix metalloproteinase-23 isoform X2 [Mus musculus]" 100.00 420 97.30 97.30 3.87e-18 REF XP_006538944 "PREDICTED: matrix metalloproteinase-23 isoform X3 [Mus musculus]" 100.00 406 97.30 97.30 3.19e-18 SP O88272 "RecName: Full=Matrix metalloproteinase-23; Short=MMP-23; AltName: Full=metalloprotease in the female reproductive tract; Short=" 100.00 391 100.00 100.00 5.13e-17 SP O88676 "RecName: Full=Matrix metalloproteinase-23; Short=MMP-23; AltName: Full=CAMP metalloproteinase; Short=CA-MMP; Contains: RecName:" 100.00 391 97.30 97.30 1.96e-16 stop_ 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 1 disulphide MMP23-BgK 3 CYS SG MMP23-BgK 37 CYS SG 1 disulphide MMP23-BgK 10 CYS SG MMP23-BgK 30 CYS SG 1 disulphide MMP23-BgK 19 CYS SG MMP23-BgK 34 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MMP23-BgK Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $MMP23-BgK 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_94%H2O/6%D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MMP23-BgK 2.26 mM 'natural abundance' H2O 94 % 'natural abundance' D2O 6 % '[U-100% 2H]' stop_ save_ save_100%D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MMP23-BgK 2.2-2.3 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version v1.3.13 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'peak picking' 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version v1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $94%H2O/6%D2O save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $94%H2O/6%D2O save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $94%H2O/6%D2O save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $94%H2O/6%D2O save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $94%H2O/6%D2O save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $100%D2O save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $100%D2O save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $94%H2O/6%D2O save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $94%H2O/6%D2O save_ ####################### # Sample conditions # ####################### save_278K_pH5.00 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 278 . K pH 5.00 . pH pressure 1 . atm stop_ save_ save_293K_pH5.00 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 5.00 . pH pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 dioxane H 1 'methyl protons' ppm 3.75 internal direct . . . 1.000000000 water C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.251449530 water N 15 'methyl protons' ppm 0.00 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $94%H2O/6%D2O $100%D2O stop_ _Sample_conditions_label $293K_pH5.00 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MMP23-BgK _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 1 TYR HA H 4.24 0.02 1 2 1 1 TYR HB2 H 3.15 0.02 2 3 1 1 TYR HB3 H 3.15 0.02 2 4 1 1 TYR HD1 H 7.18 0.02 3 5 1 1 TYR HD2 H 7.18 0.02 3 6 1 1 TYR HE1 H 6.88 0.02 3 7 1 1 TYR HE2 H 6.88 0.02 3 8 2 2 GLY H H 8.69 0.02 1 9 2 2 GLY HA2 H 3.90 0.02 2 10 2 2 GLY HA3 H 3.90 0.02 2 11 3 3 CYS H H 8.70 0.02 1 12 3 3 CYS HA H 4.71 0.02 1 13 3 3 CYS HB2 H 3.15 0.02 2 14 3 3 CYS HB3 H 3.15 0.02 2 15 4 4 LEU H H 8.10 0.02 1 16 4 4 LEU HA H 4.71 0.02 1 17 4 4 LEU HB2 H 1.54 0.02 2 18 4 4 LEU HB3 H 1.54 0.02 2 19 4 4 LEU HD1 H 0.88 0.02 2 20 4 4 LEU HD2 H 0.88 0.02 2 21 4 4 LEU HG H 1.46 0.02 1 22 5 5 ASP H H 8.72 0.02 1 23 5 5 ASP HA H 5.07 0.02 1 24 5 5 ASP HB2 H 2.92 0.02 2 25 5 5 ASP HB3 H 2.61 0.02 2 26 6 6 ARG H H 9.52 0.02 1 27 6 6 ARG HA H 4.36 0.02 1 28 6 6 ARG HB2 H 2.16 0.02 2 29 6 6 ARG HB3 H 2.05 0.02 2 30 6 6 ARG HD2 H 3.28 0.02 2 31 6 6 ARG HD3 H 3.28 0.02 2 32 6 6 ARG HE H 7.33 0.02 1 33 6 6 ARG HG2 H 1.96 0.02 2 34 6 6 ARG HG3 H 1.79 0.02 2 35 7 7 ILE H H 7.03 0.02 1 36 7 7 ILE HA H 4.73 0.02 1 37 7 7 ILE HB H 1.91 0.02 1 38 7 7 ILE HD1 H 0.68 0.02 1 39 7 7 ILE HG12 H 1.29 0.02 2 40 7 7 ILE HG13 H 0.94 0.02 2 41 7 7 ILE HG2 H 0.88 0.02 1 42 8 8 PHE H H 8.59 0.02 1 43 8 8 PHE HA H 4.34 0.02 1 44 8 8 PHE HB2 H 3.18 0.02 2 45 8 8 PHE HB3 H 3.06 0.02 2 46 8 8 PHE HD1 H 7.20 0.02 3 47 8 8 PHE HD2 H 7.20 0.02 3 48 8 8 PHE HE1 H 7.31 0.02 3 49 8 8 PHE HE2 H 7.31 0.02 3 50 9 9 VAL H H 6.82 0.02 1 51 9 9 VAL HA H 3.85 0.02 1 52 9 9 VAL HB H 1.39 0.02 1 53 9 9 VAL HG1 H -0.02 0.02 2 54 9 9 VAL HG2 H -0.02 0.02 2 55 10 10 CYS H H 7.10 0.02 1 56 10 10 CYS HA H 4.19 0.02 1 57 10 10 CYS HB2 H 2.90 0.02 2 58 10 10 CYS HB3 H 2.78 0.02 2 59 11 11 THR H H 7.77 0.02 1 60 11 11 THR HA H 3.86 0.02 1 61 11 11 THR HB H 4.02 0.02 1 62 11 11 THR HG2 H 1.18 0.02 1 63 12 12 SER H H 7.73 0.02 1 64 12 12 SER HA H 4.15 0.02 1 65 12 12 SER HB2 H 3.87 0.02 2 66 12 12 SER HB3 H 3.87 0.02 2 67 13 13 TRP H H 8.49 0.02 1 68 13 13 TRP HA H 3.98 0.02 1 69 13 13 TRP HB2 H 3.34 0.02 2 70 13 13 TRP HB3 H 3.04 0.02 2 71 13 13 TRP HD1 H 6.64 0.02 1 72 13 13 TRP HE1 H 10.12 0.02 1 73 13 13 TRP HE3 H 7.80 0.02 1 74 13 13 TRP HH2 H 7.10 0.02 1 75 13 13 TRP HZ2 H 7.39 0.02 1 76 13 13 TRP HZ3 H 6.90 0.02 1 77 14 14 ALA H H 8.85 0.02 1 78 14 14 ALA HA H 4.27 0.02 1 79 14 14 ALA HB H 1.39 0.02 1 80 15 15 ARG H H 7.90 0.02 1 81 15 15 ARG HA H 4.19 0.02 1 82 15 15 ARG HB2 H 2.01 0.02 2 83 15 15 ARG HB3 H 2.01 0.02 2 84 15 15 ARG HD2 H 3.19 0.02 2 85 15 15 ARG HD3 H 3.19 0.02 2 86 15 15 ARG HE H 7.29 0.02 1 87 15 15 ARG HG2 H 1.85 0.02 2 88 15 15 ARG HG3 H 1.74 0.02 2 89 16 16 LYS H H 7.49 0.02 1 90 16 16 LYS HA H 4.33 0.02 1 91 16 16 LYS HB2 H 1.40 0.02 2 92 16 16 LYS HB3 H 1.40 0.02 2 93 16 16 LYS HD2 H 1.47 0.02 2 94 16 16 LYS HD3 H 1.47 0.02 2 95 16 16 LYS HE2 H 2.87 0.02 2 96 16 16 LYS HE3 H 2.87 0.02 2 97 16 16 LYS HG2 H 1.74 0.02 2 98 16 16 LYS HG3 H 1.74 0.02 2 99 16 16 LYS HZ H 7.68 0.02 1 100 17 17 GLY H H 7.61 0.02 1 101 17 17 GLY HA2 H 4.48 0.02 2 102 17 17 GLY HA3 H 4.15 0.02 2 103 18 18 PHE H H 8.08 0.02 1 104 18 18 PHE HA H 4.38 0.02 1 105 18 18 PHE HB2 H 3.13 0.02 2 106 18 18 PHE HB3 H 3.04 0.02 2 107 18 18 PHE HD1 H 6.69 0.02 3 108 18 18 PHE HD2 H 6.69 0.02 3 109 18 18 PHE HE1 H 6.99 0.02 3 110 18 18 PHE HE2 H 6.99 0.02 3 111 18 18 PHE HZ H 6.63 0.02 1 112 19 19 CYS H H 9.52 0.02 1 113 19 19 CYS HA H 4.16 0.02 1 114 19 19 CYS HB2 H 2.96 0.02 2 115 19 19 CYS HB3 H 2.96 0.02 2 116 20 20 ASP H H 7.35 0.02 1 117 20 20 ASP HA H 4.88 0.02 1 118 20 20 ASP HB2 H 2.84 0.02 2 119 20 20 ASP HB3 H 2.74 0.02 2 120 21 21 VAL H H 7.35 0.02 1 121 21 21 VAL HA H 4.25 0.02 1 122 21 21 VAL HB H 2.15 0.02 1 123 21 21 VAL HG1 H 0.99 0.02 2 124 21 21 VAL HG2 H 0.99 0.02 2 125 22 22 ARG H H 8.31 0.02 1 126 22 22 ARG HA H 4.71 0.02 1 127 22 22 ARG HB2 H 1.78 0.02 2 128 22 22 ARG HB3 H 1.40 0.02 2 129 22 22 ARG HD2 H 2.55 0.02 2 130 22 22 ARG HD3 H 1.96 0.02 2 131 22 22 ARG HE H 6.56 0.02 1 132 22 22 ARG HG2 H 1.17 0.02 2 133 22 22 ARG HG3 H 0.77 0.02 2 134 23 23 GLN H H 7.82 0.02 1 135 23 23 GLN HA H 3.92 0.02 1 136 23 23 GLN HB2 H 2.15 0.02 2 137 23 23 GLN HB3 H 2.03 0.02 2 138 23 23 GLN HE21 H 7.53 0.02 2 139 23 23 GLN HE22 H 6.94 0.02 2 140 23 23 GLN HG2 H 2.59 0.02 2 141 23 23 GLN HG3 H 2.26 0.02 2 142 24 24 ARG H H 8.52 0.02 1 143 24 24 ARG HA H 3.86 0.02 1 144 24 24 ARG HB2 H 1.83 0.02 2 145 24 24 ARG HB3 H 1.77 0.02 2 146 24 24 ARG HD2 H 3.18 0.02 2 147 24 24 ARG HD3 H 3.18 0.02 2 148 24 24 ARG HE H 7.24 0.02 1 149 24 24 ARG HG2 H 1.57 0.02 2 150 24 24 ARG HG3 H 1.57 0.02 2 151 25 25 LEU H H 7.83 0.02 1 152 25 25 LEU HA H 4.13 0.02 1 153 25 25 LEU HB2 H 1.77 0.02 2 154 25 25 LEU HB3 H 1.77 0.02 2 155 25 25 LEU HD1 H 0.93 0.02 2 156 25 25 LEU HD2 H 0.62 0.02 2 157 25 25 LEU HG H 1.57 0.02 1 158 26 26 MET H H 8.49 0.02 1 159 26 26 MET HA H 4.46 0.02 1 160 26 26 MET HB2 H 2.33 0.02 2 161 26 26 MET HB3 H 2.33 0.02 2 162 26 26 MET HE H 2.20 0.02 1 163 26 26 MET HG2 H 2.84 0.02 2 164 26 26 MET HG3 H 2.84 0.02 2 165 27 27 LYS H H 8.93 0.02 1 166 27 27 LYS HA H 4.01 0.02 1 167 27 27 LYS HB2 H 1.76 0.02 2 168 27 27 LYS HB3 H 1.76 0.02 2 169 27 27 LYS HD2 H 1.40 0.02 2 170 27 27 LYS HD3 H 1.40 0.02 2 171 27 27 LYS HE2 H 2.46 0.02 2 172 27 27 LYS HE3 H 2.46 0.02 2 173 27 27 LYS HG2 H 1.21 0.02 2 174 27 27 LYS HG3 H 1.04 0.02 2 175 27 27 LYS HZ H 7.46 0.02 1 176 28 28 ARG H H 7.15 0.02 1 177 28 28 ARG HA H 4.29 0.02 1 178 28 28 ARG HB2 H 2.06 0.02 2 179 28 28 ARG HB3 H 1.94 0.02 2 180 28 28 ARG HD2 H 3.34 0.02 2 181 28 28 ARG HD3 H 3.21 0.02 2 182 28 28 ARG HE H 7.40 0.02 1 183 28 28 ARG HG2 H 1.74 0.02 2 184 28 28 ARG HG3 H 1.58 0.02 2 185 29 29 LEU H H 8.49 0.02 1 186 29 29 LEU HA H 4.60 0.02 1 187 29 29 LEU HB2 H 2.08 0.02 2 188 29 29 LEU HB3 H 1.68 0.02 2 189 29 29 LEU HD1 H 1.10 0.02 2 190 29 29 LEU HD2 H 0.93 0.02 2 191 29 29 LEU HG H 1.78 0.02 1 192 30 30 CYS H H 8.93 0.02 1 193 30 30 CYS HA H 5.85 0.02 1 194 30 30 CYS HB2 H 3.49 0.02 2 195 30 30 CYS HB3 H 2.92 0.02 2 196 31 31 PRO HA H 4.24 0.02 1 197 31 31 PRO HB2 H 2.46 0.02 2 198 31 31 PRO HB3 H 2.05 0.02 2 199 31 31 PRO HD2 H 3.91 0.02 2 200 31 31 PRO HD3 H 3.51 0.02 2 201 31 31 PRO HG2 H 2.20 0.02 2 202 31 31 PRO HG3 H 1.94 0.02 2 203 32 32 ARG H H 7.11 0.02 1 204 32 32 ARG HA H 4.19 0.02 1 205 32 32 ARG HB2 H 1.76 0.02 2 206 32 32 ARG HB3 H 1.76 0.02 2 207 32 32 ARG HD2 H 3.29 0.02 2 208 32 32 ARG HD3 H 3.22 0.02 2 209 32 32 ARG HE H 7.16 0.02 1 210 32 32 ARG HG2 H 1.58 0.02 2 211 32 32 ARG HG3 H 1.58 0.02 2 212 33 33 SER H H 10.23 0.02 1 213 33 33 SER HA H 4.12 0.02 1 214 33 33 SER HB2 H 3.73 0.02 2 215 33 33 SER HB3 H 3.50 0.02 2 216 34 34 CYS H H 6.95 0.02 1 217 34 34 CYS HA H 4.57 0.02 1 218 34 34 CYS HB2 H 2.04 0.02 2 219 34 34 CYS HB3 H 1.66 0.02 2 220 35 35 ASP H H 7.74 0.02 1 221 35 35 ASP HA H 4.49 0.02 1 222 35 35 ASP HB2 H 3.12 0.02 2 223 35 35 ASP HB3 H 2.50 0.02 2 224 36 36 PHE H H 9.02 0.02 1 225 36 36 PHE HA H 5.29 0.02 1 226 36 36 PHE HB2 H 3.69 0.02 2 227 36 36 PHE HB3 H 2.81 0.02 2 228 36 36 PHE HD1 H 7.04 0.02 3 229 36 36 PHE HD2 H 7.04 0.02 3 230 36 36 PHE HE1 H 7.35 0.02 3 231 36 36 PHE HE2 H 7.35 0.02 3 232 36 36 PHE HZ H 7.51 0.02 1 233 37 37 CYS H H 8.18 0.02 1 234 37 37 CYS HA H 4.63 0.02 1 235 37 37 CYS HB2 H 3.36 0.02 2 236 37 37 CYS HB3 H 3.14 0.02 2 stop_ save_