data_34199 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Specific phosphorothioate substitution within domain 6 of a group II intron ribozyme leads to changes in local structure and metal ion binding ; _BMRB_accession_number 34199 _BMRB_flat_file_name bmr34199.str _Entry_type original _Submission_date 2017-11-13 _Accession_date 2017-11-13 _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 Erat M. C. . 2 Besic E. . . 3 Oberhuber M. . . 4 Johannsen S. . . 5 Sigel R. K.O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 203 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-01-12 original BMRB . stop_ _Original_release_date 2018-01-11 save_ ############################# # Citation for this entry # ############################# save_citation_2 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Specific phosphorothioate substitution within domain 6 of a group II intron ribozyme leads to changes in local structure and metal ion binding. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29218637 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Erat M. C. . 2 Besic E. . . 3 Oberhuber M. . . 4 Johannsen S. . . 5 Sigel R. K.O. . 6 Erat M. C. . 7 Zerbe O. . . 8 Fox T. . . 9 Sigel R. K. . stop_ _Journal_abbreviation 'J. Biol. Inorg. Chem.' _Journal_volume 23 _Journal_issue 1 _Journal_ASTM JJBCFA _Journal_ISSN 1432-1327 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 167 _Page_last 177 _Year 2018 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; Solution structure of domain 6 from a self-splicing group II intron ribozyme: a Mg(2+) binding site is located close to the stacked branch adenosine. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17200997 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Erat M. C. . 2 Zerbe O. . . 3 Fox T. . . 4 Sigel R. K. . stop_ _Journal_abbreviation Chembiochem _Journal_name_full . _Journal_volume 8 _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 306 _Page_last 314 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA (27-MER)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _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 RNA _Name_common entity_1 _Molecular_mass 8800.562 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; GGAGCGGGGGXGXAAACCXA XCGCXCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 G 5 C 6 G 7 G 8 G 9 G 10 G 11 U37 12 G 13 U37 14 A 15 A 16 A 17 C 18 C 19 U37 20 A 21 U37 22 C 23 G 24 C 25 U37 26 C 27 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_U37 _Saveframe_category polymer_residue _Mol_type 'RNA LINKING' _Name_common "URIDINE 5'-MONOTHIOPHOSPHATE" _BMRB_code U37 _PDB_code U37 _Standard_residue_derivative . _Molecular_mass 340.247 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O3P O3P O . 0 . ? P P P . 0 . ? S S S . 0 . ? O1P O1P O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? HS HS H . 0 . ? H1P H1P H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HA HA H . 0 . ? H2' H2' H . 0 . ? HB HB H . 0 . ? H1' H1' H . 0 . ? H3 H3 H . 0 . ? H5 H5 H . 0 . ? H6 H6 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 DOUB O3P P ? ? SING P S ? ? SING P O1P ? ? SING P O5' ? ? SING S HS ? ? SING O1P H1P ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HA ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HB ? ? SING C1' N1 ? ? SING C1' H1' ? ? SING N1 C2 ? ? SING N1 C6 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 H3 ? ? DOUB C4 O4 ? ? SING C4 C5 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 H6 ? ? 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 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '2 mM alpha-thio-D6-27, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.7 mM na alpha-thio-D6-27, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Cryo TXI' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.7 0.1 pD pressure 1 . atm temperature 303 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.7 . pH pressure 1 . atm temperature 275 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 DSS H 1 'methyl protons' ppm 0 external 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_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 G H1' H 5.791 0.001 1 2 1 1 G H2' H 4.894 0.001 1 3 1 1 G H3' H 4.660 0.001 1 4 1 1 G H4' H 4.525 0.002 1 5 1 1 G H5' H 4.400 0.002 . 6 1 1 G H5'' H 4.236 0.004 . 7 1 1 G H8 H 8.091 0.001 1 8 2 2 G H1' H 5.869 0.001 1 9 2 2 G H2' H 4.654 0.002 1 10 2 2 G H3' H 4.573 0.001 1 11 2 2 G H4' H 4.514 0.002 1 12 2 2 G H5' H 4.465 0.001 . 13 2 2 G H5'' H 4.218 0.002 . 14 2 2 G H8 H 7.490 0.002 1 15 3 3 A H1' H 5.940 0.001 1 16 3 3 A H2 H 7.408 0.002 1 17 3 3 A H2' H 4.665 0.001 1 18 3 3 A H3' H 4.602 0.001 1 19 3 3 A H4' H 4.489 0.001 1 20 3 3 A H5' H 4.433 0.000 . 21 3 3 A H5'' H 4.122 0.001 . 22 3 3 A H8 H 7.695 0.002 1 23 4 4 G H1' H 5.597 0.002 1 24 4 4 G H2' H 4.402 0.001 1 25 4 4 G H3' H 4.425 0.001 1 26 4 4 G H4' H 4.370 0.001 1 27 4 4 G H5' H 4.436 0.001 . 28 4 4 G H5'' H 4.019 0.001 . 29 4 4 G H8 H 7.134 0.002 1 30 5 5 C H1' H 5.502 0.002 1 31 5 5 C H2' H 4.574 0.002 1 32 5 5 C H3' H 4.373 0.002 1 33 5 5 C H4' H 4.498 0.001 1 34 5 5 C H5 H 5.106 0.002 1 35 5 5 C H5' H 4.152 0.000 . 36 5 5 C H5'' H 4.033 0.001 . 37 5 5 C H6 H 7.483 0.002 1 38 6 6 G H1' H 5.736 0.001 1 39 6 6 G H2' H 4.587 0.002 1 40 6 6 G H3' H 4.458 0.003 1 41 6 6 G H5'' H 4.084 0.003 . 42 6 6 G H8 H 7.450 0.002 1 43 7 7 G H1' H 5.832 0.001 1 44 7 7 G H2' H 4.418 0.002 1 45 7 7 G H3' H 4.568 0.000 1 46 7 7 G H4' H 4.444 0.000 1 47 7 7 G H5' H 4.560 0.001 . 48 7 7 G H5'' H 4.074 0.002 . 49 7 7 G H8 H 7.305 0.001 1 50 8 8 G H1' H 5.706 0.002 1 51 8 8 G H2' H 4.677 0.000 1 52 8 8 G H3' H 4.456 0.001 1 53 8 8 G H4' H 4.421 0.003 1 54 8 8 G H5' H 4.090 0.000 . 55 8 8 G H5'' H 4.069 0.002 . 56 8 8 G H8 H 7.458 0.001 1 57 9 9 G H1' H 5.616 0.001 1 58 9 9 G H2' H 4.525 0.001 1 59 9 9 G H3' H 4.484 0.002 1 60 9 9 G H4' H 4.404 0.001 1 61 9 9 G H5'' H 4.055 0.001 . 62 9 9 G H8 H 7.166 0.002 1 63 10 10 G H1' H 5.743 0.001 1 64 10 10 G H2' H 4.378 0.001 1 65 10 10 G H3' H 4.733 0.001 1 66 10 10 G H4' H 4.403 0.005 1 67 10 10 G H5' H 4.295 0.001 . 68 10 10 G H5'' H 4.008 0.001 . 69 10 10 G H8 H 7.147 0.002 1 70 11 11 U37 H1' H 5.442 0.002 1 71 11 11 U37 H2' H 4.392 0.001 1 72 11 11 U37 H3' H 4.355 0.000 1 73 11 11 U37 H4' H 4.299 0.001 1 74 11 11 U37 H5 H 4.993 0.002 1 75 11 11 U37 H5' H 4.426 0.000 . 76 11 11 U37 H5'' H 4.073 0.001 . 77 11 11 U37 H6 H 7.414 0.002 1 78 12 12 G H1' H 5.560 0.002 1 79 12 12 G H2' H 4.607 0.001 1 80 12 12 G H3' H 4.866 0.002 1 81 12 12 G H4' H 4.493 0.002 1 82 12 12 G H5' H 4.328 0.001 . 83 12 12 G H5'' H 4.090 0.001 . 84 12 12 G H8 H 7.817 0.003 1 85 13 13 U37 H1' H 5.662 0.002 1 86 13 13 U37 H2' H 4.348 0.001 1 87 13 13 U37 H3' H 4.257 0.001 1 88 13 13 U37 H4' H 4.187 0.001 1 89 13 13 U37 H5 H 5.692 0.002 1 90 13 13 U37 H5' H 4.134 0.002 . 91 13 13 U37 H5'' H 3.904 0.002 . 92 13 13 U37 H6 H 7.874 0.002 1 93 14 14 A H1' H 5.547 0.002 1 94 14 14 A H2 H 7.880 0.001 1 95 14 14 A H2' H 4.239 0.001 1 96 14 14 A H3' H 4.496 0.002 1 97 14 14 A H4' H 4.112 0.002 1 98 14 14 A H5' H 3.486 0.003 . 99 14 14 A H5'' H 3.768 0.003 . 100 14 14 A H8 H 7.864 0.002 1 101 15 15 A H1' H 6.050 0.002 1 102 15 15 A H2 H 7.856 0.002 1 103 15 15 A H2' H 4.733 0.001 1 104 15 15 A H3' H 5.371 0.001 1 105 15 15 A H4' H 4.482 0.001 1 106 15 15 A H5' H 4.446 0.001 . 107 15 15 A H5'' H 4.350 0.001 . 108 15 15 A H8 H 8.159 0.002 1 109 16 16 A H1' H 4.466 0.001 1 110 16 16 A H2 H 7.866 0.001 1 111 16 16 A H2' H 4.331 0.001 1 112 16 16 A H3' H 4.363 0.001 1 113 16 16 A H4' H 4.354 0.001 1 114 16 16 A H5' H 4.271 0.000 . 115 16 16 A H5'' H 4.239 0.002 . 116 16 16 A H8 H 8.141 0.002 1 117 17 17 C H1' H 5.396 0.002 1 118 17 17 C H2' H 4.271 0.001 1 119 17 17 C H3' H 4.241 0.001 1 120 17 17 C H4' H 4.373 0.001 1 121 17 17 C H5 H 5.127 0.002 1 122 17 17 C H5' H 4.254 0.001 . 123 17 17 C H5'' H 3.981 0.000 . 124 17 17 C H6 H 7.414 0.002 1 125 18 18 C H1' H 5.460 0.002 1 126 18 18 C H2' H 4.461 0.001 1 127 18 18 C H3' H 4.632 0.001 1 128 18 18 C H4' H 4.269 0.001 1 129 18 18 C H5 H 5.391 0.001 1 130 18 18 C H5' H 4.371 0.002 . 131 18 18 C H5'' H 4.003 0.002 . 132 18 18 C H6 H 7.720 0.002 1 133 19 19 U37 H1' H 5.558 0.003 1 134 19 19 U37 H2' H 4.128 0.001 1 135 19 19 U37 H3' H 4.495 0.002 1 136 19 19 U37 H4' H 4.234 0.151 1 137 19 19 U37 H5 H 5.577 0.003 1 138 19 19 U37 H5' H 4.263 0.001 . 139 19 19 U37 H5'' H 4.108 0.001 . 140 19 19 U37 H6 H 7.811 0.002 1 141 20 20 A H1' H 5.880 0.001 1 142 20 20 A H2 H 7.498 0.001 1 143 20 20 A H2' H 4.534 0.002 1 144 20 20 A H3' H 4.848 0.002 1 145 20 20 A H4' H 4.469 0.002 1 146 20 20 A H5' H 4.416 0.000 . 147 20 20 A H5'' H 4.323 0.000 . 148 20 20 A H8 H 8.203 0.001 1 149 21 21 U37 H1' H 5.510 0.002 1 150 21 21 U37 H2' H 4.261 0.002 1 151 21 21 U37 H3' H 4.588 0.001 1 152 21 21 U37 H4' H 4.416 0.002 1 153 21 21 U37 H5 H 5.583 0.001 1 154 21 21 U37 H5' H 4.320 0.000 . 155 21 21 U37 H5'' H 4.129 0.000 . 156 21 21 U37 H6 H 7.766 0.001 1 157 22 22 C H1' H 5.638 0.002 1 158 22 22 C H2' H 4.609 0.002 1 159 22 22 C H3' H 4.462 0.001 1 160 22 22 C H4' H 4.541 0.001 1 161 22 22 C H5 H 5.681 0.001 1 162 22 22 C H5' H 4.258 0.001 . 163 22 22 C H5'' H 4.179 0.002 . 164 22 22 C H6 H 7.819 0.002 1 165 23 23 G H1' H 5.734 0.001 1 166 23 23 G H2' H 4.552 0.003 1 167 23 23 G H3' H 4.528 0.000 1 168 23 23 G H4' H 4.497 0.001 1 169 23 23 G H5' H 4.479 0.001 . 170 23 23 G H5'' H 4.183 0.000 . 171 23 23 G H8 H 7.703 0.002 1 172 24 24 C H1' H 5.517 0.002 1 173 24 24 C H2' H 4.322 0.001 1 174 24 24 C H3' H 4.780 0.002 1 175 24 24 C H4' H 4.453 0.001 1 176 24 24 C H5 H 5.215 0.002 1 177 24 24 C H5' H 4.541 0.002 . 178 24 24 C H5'' H 4.045 0.002 . 179 24 24 C H6 H 7.801 0.002 1 180 25 25 U37 H1' H 5.509 0.002 1 181 25 25 U37 H2' H 4.499 0.002 1 182 25 25 U37 H3' H 4.524 0.002 1 183 25 25 U37 H4' H 4.551 0.000 1 184 25 25 U37 H5 H 5.293 0.002 1 185 25 25 U37 H5' H 4.605 0.002 . 186 25 25 U37 H5'' H 4.094 0.002 . 187 25 25 U37 H6 H 7.998 0.001 1 188 26 26 C H1' H 5.549 0.001 1 189 26 26 C H2' H 4.180 0.002 1 190 26 26 C H3' H 4.464 0.002 1 191 26 26 C H4' H 4.397 0.003 1 192 26 26 C H5 H 5.549 0.001 1 193 26 26 C H5' H 4.118 0.000 . 194 26 26 C H5'' H 4.052 0.001 . 195 26 26 C H6 H 7.868 0.002 1 196 27 27 C H1' H 5.685 0.002 1 197 27 27 C H2' H 3.949 0.001 1 198 27 27 C H3' H 4.132 0.002 1 199 27 27 C H4' H 4.493 0.001 1 200 27 27 C H5 H 5.442 0.001 1 201 27 27 C H5' H 4.479 0.003 . 202 27 27 C H5'' H 3.994 0.002 . 203 27 27 C H6 H 7.628 0.002 1 stop_ save_