data_5652 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemical Shift Assignments for CnErg1 ; _BMRB_accession_number 5652 _BMRB_flat_file_name bmr5652.str _Entry_type original _Submission_date 2003-01-08 _Accession_date 2003-01-09 _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 Torres Allan M. . 2 Bansal Paramjit S. . 3 Alewood Paul F. . 4 Bursill Jane A. . 5 Kuchel Philip W. . 6 Vandenberg Jamie I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 215 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-03-25 original BMRB . stop_ _Original_release_date 2003-01-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of CnErg1 (Ergtoxin), a HERG Specific Scorpion Toxin ; _Citation_status published _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 Torres Allan M. . 2 Bansal Paramjit S. . 3 Alewood Paul F. . 4 Bursill Jane A. . 5 Kuchel Philip W. . 6 Vandenberg Jamie I. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 539 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 138 _Page_last 142 _Year 2003 _Details . loop_ _Keyword CneErg1 Ergtoxin 'scorpion toxin' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Gurrola GB, Rosati B, Rocchetti M, Pimienta G, Zaza A, Arcangeli A, Olivotto M, Possani LD, Wanke E. A toxin to nervous, cardiac, and endocrine ERG K+ channels isolated from Centruroides noxius scorpion venom. FASEB J. 1999 May;13(8):953-62. ; _Citation_title ; A toxin to nervous, cardiac, and endocrine ERG K+ channels isolated from Centruroides noxius scorpion venom. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10224238 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gurrola 'G. B.' B. . 2 Rosati B. . . 3 Rocchetti M. . . 4 Pimienta G. . . 5 Zaza A. . . 6 Arcangeli A. . . 7 Olivotto M. . . 8 Possani 'L. D.' D. . 9 Wanke E. . . stop_ _Journal_abbreviation 'FASEB J.' _Journal_name_full 'The FASEB journal : official publication of the Federation of American Societies for Experimental Biology' _Journal_volume 13 _Journal_issue 8 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 953 _Page_last 962 _Year 1999 _Details ; Toxins isolated from a variety of venoms are tools for probing the physiological function and structure of ion channels. The ether-a-go-go-related genes (erg) codify for the K+ channels (ERG), which are crucial in neurons and are impaired in human long-QT syndrome and Drosophila 'seizure' mutants. We have isolated a peptide from the scorpion Centruroides noxius Hoffmann that has no sequence homologies with other toxins, and demonstrate that it specifically inhibits (IC50=16+/-1 nM) only ERG channels of different species and distinct histogenesis. These results open up the possibility of investigating ERG channel structure-function relationships and novel pharmacological tools with potential therapeutic efficacy. ; save_ save_ref_2 _Saveframe_category citation _Citation_full ; Scaloni A, Bottiglieri C, Ferrara L, Corona M, Gurrola GB, Batista C, Wanke E, Possani LD. Disulfide bridges of ergtoxin, a member of a new sub-family of peptide blockers of the ether-a-go-go-related K+ channel. FEBS Lett. 2000 Aug 18;479(3):156-7. No abstract available. ; _Citation_title ; Disulfide bridges of ergtoxin, a member of a new sub-family of peptide blockers of the ether-a-go-go-related K+ channel. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11023354 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Scaloni A. . . 2 Bottiglieri C. . . 3 Ferrara L. . . 4 Corona M. . . 5 Gurrola 'G. B.' B. . 6 Batista C. . . 7 Wanke E. . . 8 Possani 'L. D.' D. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 479 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 156 _Page_last 157 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_system_CnErg1_or_ErgTx _Saveframe_category molecular_system _Mol_system_name CnErg1 _Abbreviation_common 'CnErg1 or ErgTx' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CnErg1 $CnErg1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'HERG K+ channel inhibitor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CnErg1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ergtoxin _Abbreviation_common ErgTx _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; DRDSCVDKSRCAKYGYYQEC QDCCKNAGHNGGTCMFFKCK CA ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 ARG 3 ASP 4 SER 5 CYS 6 VAL 7 ASP 8 LYS 9 SER 10 ARG 11 CYS 12 ALA 13 LYS 14 TYR 15 GLY 16 TYR 17 TYR 18 GLN 19 GLU 20 CYS 21 GLN 22 ASP 23 CYS 24 CYS 25 LYS 26 ASN 27 ALA 28 GLY 29 HIS 30 ASN 31 GLY 32 GLY 33 THR 34 CYS 35 MET 36 PHE 37 PHE 38 LYS 39 CYS 40 LYS 41 CYS 42 ALA stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1NE5 'Solution Strucuture Of Herg Specific Scorpion Toxin Cnerg1' 100.00 42 100.00 100.00 1.24e-15 PDB 1PX9 'Solution Structure Of The Native Cnerg1 Ergtoxin, A Highly Specific Inhibitor Of Herg Channel' 100.00 42 100.00 100.00 1.24e-15 GenBank AAG38523 'ergtoxin precursor [Centruroides noxius]' 100.00 42 100.00 100.00 1.24e-15 GenBank AAO22234 'ergtoxin-like protein 1 [Centruroides noxius]' 100.00 62 100.00 100.00 7.42e-17 SWISS-PROT Q86QT3 'Potassium channel toxin gamma-KTx 1.1 precursor (Ergtoxin) (CnErgTx1) (CnErg1) (ErgTx) (Ergtoxin-like protein 1) (ErgTx1)' 100.00 62 100.00 100.00 7.42e-17 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Secretion $CnErg1 'Mexican scorpion' 6878 Eukaryota Metazoa Centruroides noxius 'venom gland' venom 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 $CnErg1 '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 $CnErg1 1.7 mM . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE_DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.2 0.1 n/a temperature 298 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label NOESY TOCSY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CnErg1 _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 ASP HA H 4.337 0.010 1 2 . 1 ASP HB2 H 2.965 0.010 1 3 . 2 ARG H H 8.859 0.010 1 4 . 2 ARG HA H 4.338 0.002 1 5 . 2 ARG HB2 H 1.798 0.010 1 6 . 2 ARG HB3 H 1.901 0.010 1 7 . 2 ARG HG2 H 1.632 0.010 1 8 . 2 ARG HG3 H 1.681 0.010 1 9 . 2 ARG HD2 H 3.223 0.010 1 10 . 2 ARG HD3 H 3.260 0.010 1 11 . 2 ARG HE H 7.222 0.010 1 12 . 3 ASP H H 8.486 0.010 1 13 . 3 ASP HA H 4.834 0.010 1 14 . 3 ASP HB2 H 2.817 0.001 1 15 . 3 ASP HB3 H 2.947 0.010 1 16 . 4 SER H H 8.301 0.010 1 17 . 4 SER HA H 4.525 0.010 1 18 . 4 SER HB2 H 3.975 0.010 1 19 . 5 CYS H H 9.042 0.010 1 20 . 5 CYS HA H 4.442 0.002 1 21 . 5 CYS HB2 H 3.000 0.004 1 22 . 6 VAL H H 7.956 0.001 1 23 . 6 VAL HA H 4.064 0.010 1 24 . 6 VAL HB H 2.114 0.010 1 25 . 6 VAL HG1 H 0.947 0.010 1 26 . 6 VAL HG2 H 1.065 0.002 1 27 . 7 ASP H H 7.849 0.010 1 28 . 7 ASP HA H 4.852 0.010 1 29 . 7 ASP HB2 H 2.813 0.010 1 30 . 7 ASP HB3 H 2.920 0.010 1 31 . 8 LYS H H 7.750 0.001 1 32 . 8 LYS HA H 4.389 0.010 1 33 . 8 LYS HB2 H 1.762 0.010 1 34 . 8 LYS HB3 H 1.914 0.010 1 35 . 8 LYS HG2 H 1.433 0.010 1 36 . 8 LYS HG3 H 1.505 0.010 1 37 . 8 LYS HD2 H 1.670 0.010 1 38 . 8 LYS HE2 H 2.987 0.001 1 39 . 8 LYS HZ H 7.547 0.010 1 40 . 9 SER H H 7.764 0.010 1 41 . 9 SER HA H 4.543 0.010 1 42 . 9 SER HB2 H 3.675 0.001 1 43 . 9 SER HB3 H 3.785 0.010 1 44 . 10 ARG H H 8.035 0.010 1 45 . 10 ARG HA H 4.493 0.001 1 46 . 10 ARG HB2 H 1.880 0.003 1 47 . 10 ARG HB3 H 1.904 0.010 1 48 . 10 ARG HG2 H 1.731 0.010 1 49 . 10 ARG HG3 H 1.831 0.010 1 50 . 10 ARG HD2 H 3.259 0.010 1 51 . 10 ARG HE H 7.223 0.010 1 52 . 11 CYS H H 7.928 0.001 1 53 . 11 CYS HA H 4.008 0.010 1 54 . 11 CYS HB2 H 2.043 0.003 1 55 . 11 CYS HB3 H 3.167 0.002 1 56 . 12 ALA H H 6.394 0.010 1 57 . 12 ALA HA H 4.265 0.001 1 58 . 12 ALA HB H 1.233 0.010 1 59 . 13 LYS H H 8.184 0.010 1 60 . 13 LYS HA H 1.849 0.001 1 61 . 13 LYS HB2 H 1.179 0.010 1 62 . 13 LYS HB3 H 1.413 0.003 1 63 . 13 LYS HG2 H 0.307 0.001 1 64 . 13 LYS HG3 H 0.626 0.010 1 65 . 13 LYS HD2 H 1.592 0.010 1 66 . 13 LYS HD3 H 1.619 0.010 1 67 . 13 LYS HE2 H 2.917 0.002 1 68 . 13 LYS HZ H 7.700 0.010 1 69 . 14 TYR H H 7.267 0.003 1 70 . 14 TYR HA H 4.673 0.002 1 71 . 14 TYR HB2 H 2.667 0.010 1 72 . 14 TYR HB3 H 3.006 0.010 1 73 . 14 TYR HD1 H 7.135 0.010 1 74 . 14 TYR HE1 H 6.791 0.001 1 75 . 15 GLY H H 8.125 0.001 1 76 . 15 GLY HA2 H 3.697 0.004 1 77 . 15 GLY HA3 H 4.201 0.003 1 78 . 16 TYR H H 8.454 0.010 1 79 . 16 TYR HA H 4.399 0.010 1 80 . 16 TYR HB2 H 2.868 0.010 1 81 . 16 TYR HB3 H 3.069 0.010 1 82 . 16 TYR HD1 H 7.096 0.010 1 83 . 16 TYR HE1 H 6.706 0.010 1 84 . 17 TYR H H 8.215 0.001 1 85 . 17 TYR HA H 4.488 0.010 1 86 . 17 TYR HB2 H 2.752 0.010 1 87 . 17 TYR HB3 H 3.067 0.002 1 88 . 17 TYR HD1 H 7.106 0.010 1 89 . 17 TYR HE1 H 6.787 0.002 1 90 . 18 GLN H H 9.067 0.010 1 91 . 18 GLN HA H 3.470 0.010 1 92 . 18 GLN HB2 H 1.849 0.010 1 93 . 18 GLN HB3 H 2.162 0.010 1 94 . 18 GLN HG2 H 2.264 0.010 1 95 . 18 GLN HG3 H 2.323 0.010 1 96 . 18 GLN HE21 H 7.137 0.001 1 97 . 18 GLN HE22 H 7.751 0.001 1 98 . 19 GLU H H 7.705 0.002 1 99 . 19 GLU HA H 3.977 0.010 1 100 . 19 GLU HB2 H 1.997 0.010 1 101 . 19 GLU HG2 H 2.560 0.010 1 102 . 19 GLU HG3 H 2.625 0.010 1 103 . 20 CYS HA H 4.764 0.010 1 104 . 20 CYS H H 7.215 0.010 1 105 . 20 CYS HB3 H 3.452 0.010 1 106 . 20 CYS HB2 H 2.911 0.002 1 107 . 21 GLN HB2 H 1.952 0.002 1 108 . 21 GLN HB3 H 1.969 0.001 1 109 . 21 GLN HE21 H 7.025 0.001 1 110 . 21 GLN HE22 H 7.637 0.010 1 111 . 21 GLN HA H 3.825 0.010 1 112 . 21 GLN HG3 H 2.812 0.010 1 113 . 21 GLN H H 7.570 0.010 1 114 . 21 GLN HG2 H 2.274 0.010 1 115 . 22 ASP H H 8.606 0.010 1 116 . 22 ASP HA H 4.381 0.001 1 117 . 22 ASP HB2 H 2.804 0.010 1 118 . 23 CYS H H 8.248 0.010 1 119 . 23 CYS HA H 4.227 0.001 1 120 . 23 CYS HB2 H 3.363 0.005 1 121 . 23 CYS HB3 H 3.427 0.003 1 122 . 24 CYS H H 8.640 0.010 1 123 . 24 CYS HA H 4.354 0.010 1 124 . 24 CYS HB2 H 2.544 0.010 1 125 . 24 CYS HB3 H 2.646 0.010 1 126 . 25 LYS H H 8.632 0.010 1 127 . 25 LYS HA H 4.706 0.010 1 128 . 25 LYS HD3 H 1.819 0.002 1 129 . 25 LYS HB2 H 1.950 0.010 1 130 . 25 LYS HG2 H 1.480 0.010 1 131 . 25 LYS HG3 H 1.631 0.002 1 132 . 25 LYS HD2 H 1.746 0.010 1 133 . 25 LYS HE2 H 3.035 0.010 1 134 . 25 LYS HZ H 7.588 0.003 1 135 . 26 ASN H H 8.450 0.010 1 136 . 26 ASN HA H 4.550 0.010 1 137 . 26 ASN HB2 H 2.918 0.010 1 138 . 26 ASN HB3 H 2.976 0.010 1 139 . 26 ASN HD21 H 6.951 0.002 1 140 . 26 ASN HD22 H 7.580 0.010 1 141 . 27 ALA H H 7.644 0.010 1 142 . 27 ALA HA H 4.550 0.010 1 143 . 27 ALA HB H 1.679 0.010 1 144 . 28 GLY H H 7.846 0.010 1 145 . 28 GLY HA2 H 3.800 0.003 1 146 . 28 GLY HA3 H 4.069 0.010 1 147 . 29 HIS H H 8.206 0.010 1 148 . 29 HIS HA H 5.023 0.003 1 149 . 29 HIS HB2 H 2.828 0.010 1 150 . 29 HIS HB3 H 3.675 0.010 1 151 . 29 HIS HD2 H 7.219 0.010 1 152 . 29 HIS HE1 H 8.695 0.003 1 153 . 30 ASN H H 9.114 0.010 1 154 . 30 ASN HA H 4.690 0.001 1 155 . 30 ASN HB2 H 2.831 0.003 1 156 . 30 ASN HD21 H 6.985 0.010 1 157 . 30 ASN HD22 H 7.775 0.003 1 158 . 31 GLY H H 7.721 0.010 1 159 . 31 GLY HA2 H 3.682 0.010 1 160 . 31 GLY HA3 H 4.326 0.010 1 161 . 32 GLY H H 8.247 0.010 1 162 . 32 GLY HA2 H 4.053 0.002 1 163 . 32 GLY HA3 H 4.777 0.010 1 164 . 33 THR H H 8.507 0.010 1 165 . 33 THR HA H 4.413 0.010 1 166 . 33 THR HB H 3.887 0.010 1 167 . 33 THR HG2 H 1.103 0.002 1 168 . 34 CYS H H 8.640 0.010 1 169 . 34 CYS HA H 5.234 0.010 1 170 . 34 CYS HB2 H 2.480 0.010 1 171 . 34 CYS HB3 H 2.757 0.010 1 172 . 35 MET H H 9.434 0.010 1 173 . 35 MET HA H 4.750 0.010 1 174 . 35 MET HB2 H 1.942 0.001 1 175 . 35 MET HB3 H 2.043 0.002 1 176 . 35 MET HG2 H 2.477 0.001 1 177 . 36 PHE H H 7.977 0.010 1 178 . 36 PHE HA H 3.570 0.010 1 179 . 36 PHE HB2 H 2.917 0.010 1 180 . 36 PHE HB3 H 3.483 0.010 1 181 . 36 PHE HD1 H 7.236 0.010 1 182 . 36 PHE HE1 H 7.447 0.010 1 183 . 37 PHE H H 7.615 0.010 1 184 . 37 PHE HA H 3.868 0.001 1 185 . 37 PHE HB2 H 3.162 0.010 1 186 . 37 PHE HB3 H 3.306 0.010 1 187 . 37 PHE HD1 H 6.783 0.010 1 188 . 37 PHE HE1 H 7.155 0.010 1 189 . 37 PHE HZ H 7.200 0.001 1 190 . 38 LYS H H 7.396 0.010 1 191 . 38 LYS HA H 4.889 0.003 1 192 . 38 LYS HD3 H 1.760 0.010 1 193 . 38 LYS HB2 H 1.962 0.002 1 194 . 38 LYS HG2 H 1.458 0.010 1 195 . 38 LYS HG3 H 1.582 0.002 1 196 . 38 LYS HD2 H 1.700 0.010 1 197 . 38 LYS HE2 H 3.077 0.010 1 198 . 39 CYS H H 9.340 0.010 1 199 . 39 CYS HA H 4.639 0.004 1 200 . 39 CYS HB2 H 2.717 0.010 1 201 . 39 CYS HB3 H 2.783 0.010 1 202 . 40 LYS H H 8.919 0.010 1 203 . 40 LYS HA H 4.553 0.001 1 204 . 40 LYS HB2 H 1.799 0.010 1 205 . 40 LYS HB3 H 1.840 0.010 1 206 . 40 LYS HG2 H 1.383 0.010 1 207 . 40 LYS HG3 H 1.459 0.010 1 208 . 40 LYS HD2 H 1.640 0.002 1 209 . 41 CYS H H 8.740 0.010 1 210 . 41 CYS HA H 5.264 0.004 1 211 . 41 CYS HB2 H 2.241 0.010 1 212 . 41 CYS HB3 H 2.633 0.010 1 213 . 42 ALA H H 8.620 0.010 1 214 . 42 ALA HA H 4.235 0.010 1 215 . 42 ALA HB H 1.325 0.010 1 stop_ save_