data_6924 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H chemical shifts for discrepin, a scorpion toxin that blocks IA currents of the voltage dependent K+ channels ; _BMRB_accession_number 6924 _BMRB_flat_file_name bmr6924.str _Entry_type original _Submission_date 2005-12-13 _Accession_date 2005-12-13 _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 Prochnicka-Chalufour Ada . . 2 Corzo Gerardo . . 3 Satake Honoo . . 4 Martin-Euaclaire Marie-France . . 5 Murgia Anna R. . 6 Prestipino Gianfranco . . 7 D'Suze Gina . . 8 Possani Lourival D. . 9 Delepierre Muriel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 214 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-05 original author . stop_ _Original_release_date 2006-04-05 save_ ############################# # Citation for this entry # ############################# save_citation2 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of Discrepin, a New K(+)-Channel Blocking Peptide from the alpha-KTx15 Subfamily(,). ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16460026 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Prochnicka-Chalufour Ada . . 2 Corzo Gerardo . . 3 Satake Honoo . . 4 Martin-Eauclaire Marie-France . . 5 Murgia Anna R. . 6 Prestipino Gianfranco . . 7 D'Suze Gina . . 8 Possani Lourival D. . 9 Delepierre Muriel . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 45 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1795 _Page_last 1804 _Year 2006 _Details . loop_ _Keyword 'IA currents' K+-channel 'scorpion toxin' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation1 _Saveframe_category citation _Citation_full . _Citation_title ; Discrepin, a new peptide of the subfamily alpha-KTx15 irreversibly blocks K+-channels (IA currents) of cerebellum granular cells ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15369825 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 D'Suze Gina . . 2 Batista Cesar V.F. . 3 Frau Andrae . . 4 Murgia Anna R. . 5 Zamudio Fernando Z. . 6 Sevcik Carlos . . 7 Possani Lourival D. . 8 Possani Lourival D. . 9 Prestipino Gianfranco . . stop_ _Journal_abbreviation 'Arch. Biochem. Biophys.' _Journal_name_full . _Journal_volume 430 _Journal_issue 2 _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 256 _Page_last 263 _Year 2004 _Details . loop_ _Keyword A-currents discrepin 'K+ channel' 'NMR structure' 'scorpion toxin' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'discrepin monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label discrepin $discrepin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_discrepin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'discrepin, Tityus discrepans toxin from alpha-KTx15 sub-family' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'IA current K+-channel blocker' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; XIDTNVKCSGSSKCVKICID RYNTRGAKCINGRCTCYP ; loop_ _Residue_seq_code _Residue_label 1 PCA 2 ILE 3 ASP 4 THR 5 ASN 6 VAL 7 LYS 8 CYS 9 SER 10 GLY 11 SER 12 SER 13 LYS 14 CYS 15 VAL 16 LYS 17 ILE 18 CYS 19 ILE 20 ASP 21 ARG 22 TYR 23 ASN 24 THR 25 ARG 26 GLY 27 ALA 28 LYS 29 CYS 30 ILE 31 ASN 32 GLY 33 ARG 34 CYS 35 THR 36 CYS 37 TYR 38 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2AXK "Solution Structure Of Discrepin, A Scorpion Venom Toxin Blocking K+ Channels" 97.37 38 100.00 100.00 3.04e-16 EMBL CAY61912 "discrepin precursor [Tityus discrepans]" 97.37 61 100.00 100.00 1.18e-16 SP P84777 "RecName: Full=Potassium channel toxin alpha-KTx 15.6; AltName: Full=Discrepin; Flags: Precursor [Tityus discrepans]" 97.37 61 100.00 100.00 1.18e-16 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_PCA _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common 'PYROGLUTAMIC ACID' _BMRB_code . _PDB_code PCA _Standard_residue_derivative . _Molecular_mass 129.114 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 1 10:14:50 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? OE OE O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N CD ? ? SING N H ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? DOUB CD OE ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $discrepin scorpion 57059 Eukaryota Metazoa Tityus discrepans 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 $discrepin 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'discrepin, H2O,D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $discrepin 3.0 mM . H20 90 % . D20 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version 6.1C _Details 'Varian Inc., Palo Alto' save_ save_software_2 _Saveframe_category software _Name XEASY _Version 1.2 _Details 'Bartels et al. J. Biomol. NMR (1995) 6, 1-10' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label $sample_1 save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3 0.5 pH temperature 308 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name discrepin _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 PCA HA H 3.96 0.025 1 2 1 1 PCA HB2 H 1.92 0.025 2 3 1 1 PCA HB3 H 1.72 0.025 2 4 1 1 PCA HG2 H 2.36 0.025 1 5 1 1 PCA HG3 H 2.36 0.025 1 6 2 2 ILE H H 8.49 0.025 1 7 2 2 ILE HA H 3.985 0.025 1 8 2 2 ILE HB H 1.038 0.025 1 9 2 2 ILE HG12 H 1.079 0.025 2 10 2 2 ILE HG13 H 0.779 0.025 2 11 2 2 ILE HG2 H 0.32 0.025 1 12 2 2 ILE HD1 H 0.36 0.025 1 13 3 3 ASP H H 8.799 0.025 1 14 3 3 ASP HA H 4.78 0.025 1 15 3 3 ASP HB2 H 2.961 0.025 2 16 3 3 ASP HB3 H 2.785 0.025 2 17 4 4 THR H H 7.94 0.025 1 18 4 4 THR HA H 4.66 0.025 1 19 4 4 THR HB H 4.34 0.025 1 20 4 4 THR HG2 H 1.15 0.025 1 21 5 5 ASN H H 8.51 0.025 1 22 5 5 ASN HA H 4.71 0.025 1 23 5 5 ASN HB2 H 2.91 0.025 2 24 6 6 VAL H H 8.114 0.025 1 25 6 6 VAL HA H 3.858 0.025 1 26 6 6 VAL HB H 1.76 0.025 1 27 6 6 VAL HG1 H 0.97 0.025 2 28 6 6 VAL HG2 H 0.93 0.025 2 29 7 7 LYS H H 8.45 0.025 1 30 7 7 LYS HA H 4.75 0.025 1 31 7 7 LYS HB2 H 1.798 0.025 2 32 7 7 LYS HB3 H 1.69 0.025 2 33 7 7 LYS HG2 H 1.583 0.025 2 34 7 7 LYS HG3 H 1.393 0.025 2 35 7 7 LYS HD2 H 1.67 0.025 1 36 7 7 LYS HD3 H 1.67 0.025 1 37 7 7 LYS HE2 H 2.94 0.025 1 38 7 7 LYS HE3 H 2.94 0.025 1 39 8 8 CYS H H 8.193 0.025 1 40 8 8 CYS HA H 4.86 0.025 1 41 8 8 CYS HB2 H 3.432 0.025 2 42 8 8 CYS HB3 H 2.93 0.025 2 43 9 9 SER H H 8.854 0.025 1 44 9 9 SER HA H 4.587 0.025 1 45 9 9 SER HB2 H 3.921 0.025 1 46 9 9 SER HB3 H 3.822 0.025 1 47 10 10 GLY H H 7.663 0.025 1 48 10 10 GLY HA2 H 4.25 0.025 2 49 10 10 GLY HA3 H 4.19 0.025 2 50 11 11 SER H H 8.801 0.025 1 51 11 11 SER HA H 4.037 0.025 1 52 11 11 SER HB2 H 3.96 0.025 1 53 11 11 SER HB3 H 3.95 0.025 1 54 12 12 SER H H 8.64 0.025 1 55 12 12 SER HA H 4.157 0.025 1 56 12 12 SER HB2 H 3.94 0.025 1 57 12 12 SER HB3 H 3.94 0.025 1 58 13 13 LYS H H 7.942 0.025 1 59 13 13 LYS HA H 4.136 0.025 1 60 13 13 LYS HB2 H 2.026 0.025 2 61 13 13 LYS HB3 H 1.78 0.025 2 62 13 13 LYS HG2 H 1.47 0.025 2 63 13 13 LYS HG3 H 1.37 0.025 2 64 13 13 LYS HD2 H 1.71 0.025 1 65 13 13 LYS HD3 H 1.71 0.025 1 66 13 13 LYS HE2 H 2.981 0.025 1 67 13 13 LYS HE3 H 2.839 0.025 1 68 13 13 LYS HZ H 7.542 0.025 1 69 14 14 CYS H H 7.3 0.025 1 70 14 14 CYS HA H 4.551 0.025 1 71 14 14 CYS HB2 H 2.97 0.025 2 72 14 14 CYS HB3 H 2.78 0.025 2 73 15 15 VAL H H 7.732 0.025 1 74 15 15 VAL HA H 3.295 0.025 1 75 15 15 VAL HB H 2.13 0.025 1 76 15 15 VAL HG1 H 1.105 0.025 1 77 15 15 VAL HG2 H 0.98 0.025 1 78 16 16 LYS H H 7.45 0.025 1 79 16 16 LYS HA H 3.947 0.025 1 80 16 16 LYS HB2 H 1.88 0.025 1 81 16 16 LYS HB3 H 1.88 0.025 1 82 16 16 LYS HG2 H 1.5 0.025 2 83 16 16 LYS HG3 H 1.397 0.025 2 84 16 16 LYS HD2 H 1.68 0.025 1 85 16 16 LYS HD3 H 1.68 0.025 1 86 16 16 LYS HE2 H 2.99 0.025 1 87 16 16 LYS HE3 H 2.99 0.025 1 88 17 17 ILE H H 7.304 0.025 1 89 17 17 ILE HA H 3.939 0.025 1 90 17 17 ILE HB H 2.128 0.025 1 91 17 17 ILE HG12 H 1.602 0.025 2 92 17 17 ILE HG13 H 1.55 0.025 2 93 17 17 ILE HG2 H 0.95 0.025 1 94 17 17 ILE HD1 H 0.89 0.025 1 95 18 18 CYS H H 8.574 0.025 1 96 18 18 CYS HA H 4.683 0.025 1 97 18 18 CYS HB2 H 3.207 0.025 2 98 18 18 CYS HB3 H 2.91 0.025 2 99 19 19 ILE H H 8.6 0.025 1 100 19 19 ILE HA H 3.62 0.025 1 101 19 19 ILE HB H 1.81 0.025 1 102 19 19 ILE HG12 H 0.79 0.025 2 103 19 19 ILE HG13 H 0.8 0.025 2 104 19 19 ILE HG2 H 0.86 0.025 1 105 19 19 ILE HD1 H 0.76 0.025 1 106 20 20 ASP H H 8.301 0.025 1 107 20 20 ASP HA H 4.402 0.025 1 108 20 20 ASP HB2 H 3.02 0.025 2 109 20 20 ASP HB3 H 2.901 0.025 2 110 21 21 ARG H H 8.48 0.025 1 111 21 21 ARG HA H 4.16 0.025 1 112 21 21 ARG HB2 H 1.489 0.025 2 113 21 21 ARG HG2 H 1.31 0.025 1 114 21 21 ARG HG3 H 1.016 0.025 1 115 21 21 ARG HD2 H 3.04 0.025 2 116 21 21 ARG HD3 H 2.877 0.025 2 117 21 21 ARG HE H 7.2 0.025 1 118 22 22 TYR H H 7.37 0.025 1 119 22 22 TYR HA H 4.843 0.025 1 120 22 22 TYR HB2 H 3.37 0.025 2 121 22 22 TYR HB3 H 2.75 0.025 2 122 22 22 TYR HD1 H 7.2 0.025 1 123 22 22 TYR HD2 H 7.2 0.025 1 124 22 22 TYR HE1 H 6.59 0.025 1 125 22 22 TYR HE2 H 6.59 0.025 1 126 23 23 ASN H H 7.943 0.025 1 127 23 23 ASN HA H 4.71 0.025 1 128 23 23 ASN HB2 H 3.222 0.025 2 129 23 23 ASN HB3 H 2.64 0.025 2 130 24 24 THR H H 7.6 0.025 1 131 24 24 THR HA H 4.816 0.025 1 132 24 24 THR HB H 4.03 0.025 1 133 24 24 THR HG2 H 1.034 0.025 1 134 25 25 ARG H H 8.113 0.025 1 135 25 25 ARG HA H 4.321 0.025 1 136 25 25 ARG HB2 H 1.88 0.025 2 137 25 25 ARG HB3 H 1.684 0.025 2 138 25 25 ARG HG2 H 1.6 0.025 1 139 25 25 ARG HG3 H 1.55 0.025 1 140 25 25 ARG HD2 H 3.17 0.025 1 141 25 25 ARG HD3 H 3.17 0.025 1 142 25 25 ARG HE H 7.204 0.025 1 143 25 25 ARG HH11 H 7.19 0.025 1 144 25 25 ARG HH12 H 7.19 0.025 1 145 26 26 GLY H H 8.39 0.025 1 146 26 26 GLY HA2 H 4.099 0.025 2 147 26 26 GLY HA3 H 3.5 0.025 2 148 27 27 ALA H H 7.908 0.025 1 149 27 27 ALA HA H 5.515 0.025 1 150 27 27 ALA HB H 1.158 0.025 1 151 28 28 LYS H H 9.023 0.025 1 152 28 28 LYS HA H 4.565 0.025 1 153 28 28 LYS HB2 H 1.778 0.025 1 154 28 28 LYS HB3 H 1.778 0.025 1 155 28 28 LYS HG2 H 1.369 0.025 1 156 28 28 LYS HG3 H 1.369 0.025 1 157 28 28 LYS HD2 H 1.654 0.025 2 158 28 28 LYS HD3 H 1.583 0.025 2 159 28 28 LYS HE2 H 2.74 0.025 1 160 28 28 LYS HE3 H 2.74 0.025 1 161 28 28 LYS HZ H 7.356 0.025 1 162 29 29 CYS H H 8.763 0.025 1 163 29 29 CYS HA H 4.91 0.025 1 164 29 29 CYS HB2 H 2.843 0.025 2 165 29 29 CYS HB3 H 2.618 0.025 2 166 30 30 ILE H H 8.698 0.025 1 167 30 30 ILE HA H 4.343 0.025 1 168 30 30 ILE HB H 1.835 0.025 1 169 30 30 ILE HG12 H 1.43 0.025 2 170 30 30 ILE HG13 H 1.053 0.025 2 171 30 30 ILE HG2 H 0.862 0.025 1 172 30 30 ILE HD1 H 0.83 0.025 1 173 31 31 ASN H H 9.455 0.025 1 174 31 31 ASN HA H 4.34 0.025 1 175 31 31 ASN HB2 H 3.06 0.025 2 176 31 31 ASN HB3 H 2.765 0.025 2 177 32 32 GLY H H 8.35 0.025 1 178 32 32 GLY HA2 H 4.08 0.025 2 179 32 32 GLY HA3 H 3.957 0.025 2 180 33 33 ARG H H 7.778 0.025 1 181 33 33 ARG HA H 5.42 0.025 1 182 33 33 ARG HB2 H 1.709 0.025 1 183 33 33 ARG HB3 H 1.709 0.025 1 184 33 33 ARG HG2 H 1.469 0.025 1 185 33 33 ARG HG3 H 1.469 0.025 1 186 33 33 ARG HD2 H 3.185 0.025 1 187 33 33 ARG HD3 H 3.06 0.025 1 188 33 33 ARG HE H 7.126 0.025 1 189 34 34 CYS H H 8.793 0.025 1 190 34 34 CYS HA H 5.07 0.025 1 191 34 34 CYS HB2 H 2.918 0.025 2 192 34 34 CYS HB3 H 2.609 0.025 2 193 35 35 THR H H 9.496 0.025 1 194 35 35 THR HA H 5.152 0.025 1 195 35 35 THR HG2 H 0.784 0.025 1 196 36 36 CYS H H 8.75 0.025 1 197 36 36 CYS HA H 5.629 0.025 1 198 36 36 CYS HB2 H 2.968 0.025 2 199 36 36 CYS HB3 H 2.026 0.025 2 200 37 37 TYR H H 8.53 0.025 1 201 37 37 TYR HA H 4.848 0.025 1 202 37 37 TYR HB2 H 2.93 0.025 2 203 37 37 TYR HB3 H 2.532 0.025 2 204 37 37 TYR HD1 H 6.886 0.025 1 205 37 37 TYR HD2 H 6.886 0.025 1 206 37 37 TYR HE1 H 6.571 0.025 1 207 37 37 TYR HE2 H 6.571 0.025 1 208 38 38 PRO HA H 4.37 0.025 1 209 38 38 PRO HB2 H 2.32 0.025 2 210 38 38 PRO HB3 H 2.08 0.025 2 211 38 38 PRO HG2 H 2.043 0.025 2 212 38 38 PRO HG3 H 1.819 0.025 2 213 38 38 PRO HD2 H 3.766 0.025 2 214 38 38 PRO HD3 H 3.389 0.025 2 stop_ save_