data_16852 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a fully modified 2'-F/2'-OMe siRNA construct ; _BMRB_accession_number 16852 _BMRB_flat_file_name bmr16852.str _Entry_type original _Submission_date 2010-04-09 _Accession_date 2010-04-09 _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 Podbevsek Peter . . 2 Bhat Balkrishen . . 3 Plavec Janez . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 231 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-18 update BMRB 'update entry citation' 2010-07-27 original author 'original release' stop_ _Original_release_date 2010-04-09 save_ ############################# # Citation for this entry # ############################# save_nar10 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution-state structure of a fully alternately 2'-F/2'-OMe modified 42-nt dimeric siRNA construct. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20624819 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Podbevsek Peter . . 2 Allerson Charles R. . 3 Bhat Balkrishen . . 4 Plavec Janez . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 38 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7298 _Page_last 7307 _Year 2010 _Details . loop_ _Keyword 2'-F 2'-OMe RNA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'siRNA construct' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ISIS401156 $ISIS401156 ISIS401157 $ISIS401157 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_ISIS401156 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common ISIS401156 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 21 _Mol_residue_sequence ; XXXXXXXXXXXXXXXXXXXX X ; loop_ _Residue_seq_code _Residue_label 1 FG 2 MG 3 FG 4 MU 5 FOL 6 MA 7 FOL 8 MU 9 FOL 10 MC 11 FOL 12 MU 13 FU 14 MC 15 FU 16 MU 17 FC 18 MA 19 FU 20 MU 21 FU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_ISIS401157 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common ISIS401157 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 21 _Mol_residue_sequence ; XXXXXXXXXXXXXXXXXXXX X ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 MA 2 23 FU 3 24 MG 4 25 FOL 5 26 MA 6 27 FG 7 28 MA 8 29 FOL 9 30 MU 10 31 FG 11 32 MU 12 33 FOL 13 34 MU 14 35 FU 15 36 MU 16 37 FOL 17 38 MC 18 39 FC 19 40 MC 20 41 FU 21 42 MU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_2'-deoxi-2'-fluoro-guanosine _Saveframe_category polymer_residue _Mol_type . _Name_common 2'-deoxi-2'-fluoro-guanosine _BMRB_code . _PDB_code FG _Standard_residue_derivative . _Molecular_mass . _Mol_paramagnetic no _Details . save_ save_chem_comp_2'-OMe-uridine _Saveframe_category polymer_residue _Mol_type . _Name_common 2'-OMe-uridine _BMRB_code . _PDB_code MU _Standard_residue_derivative . _Molecular_mass . _Mol_paramagnetic no _Details . save_ save_chem_comp_2'-OMe-adenosine _Saveframe_category polymer_residue _Mol_type . _Name_common 2'-OMe-adenosine _BMRB_code . _PDB_code MA _Standard_residue_derivative . _Molecular_mass . _Mol_paramagnetic no _Details . save_ save_chem_comp_2'-OMe-cytidine _Saveframe_category polymer_residue _Mol_type . _Name_common 2'-OMe-cytidine _BMRB_code . _PDB_code MC _Standard_residue_derivative . _Molecular_mass . _Mol_paramagnetic no _Details . save_ save_chem_comp_2'-deoxi-2'-fluoro-uridine _Saveframe_category polymer_residue _Mol_type . _Name_common 2'-deoxi-2'-fluoro-uridine _BMRB_code . _PDB_code FU _Standard_residue_derivative . _Molecular_mass . _Mol_paramagnetic no _Details . save_ save_chem_comp_2'-deoxi-2'-fluoro-cytidine _Saveframe_category polymer_residue _Mol_type . _Name_common 2'-deoxi-2'-fluoro-cytidine _BMRB_code . _PDB_code FC _Standard_residue_derivative . _Molecular_mass . _Mol_paramagnetic no _Details . save_ save_chem_comp_FOL _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'FOLIC ACID' _BMRB_code FOL _PDB_code FOL _Standard_residue_derivative . _Molecular_mass 441.397 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1 N1 N . 0 . ? C2 C2 C . 0 . ? NA2 NA2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C4A C4A C . 0 . ? N5 N5 N . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? N8 N8 N . 0 . ? C8A C8A C . 0 . ? C9 C9 C . 0 . ? N10 N10 N . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C C C . 0 . ? O O O . 0 . ? N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? OE1 OE1 O . 0 . ? OE2 OE2 O . 0 . ? CT CT C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? H7 H7 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? HN0 HN0 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? H15 H15 H . 0 . ? H16 H16 H . 0 . ? HN HN H . 0 . ? HA HA H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HG1 HG1 H . 0 . ? HG2 HG2 H . 0 . ? HOE2 HOE2 H . 0 . ? HO2 HO2 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 N1 C2 ? ? SING N1 C8A ? ? SING N1 HN1 ? ? SING C2 NA2 ? ? DOUB C2 N3 ? ? SING NA2 HN21 ? ? SING NA2 HN22 ? ? SING N3 C4 ? ? DOUB C4 O4 ? ? SING C4 C4A ? ? SING C4A N5 ? ? DOUB C4A C8A ? ? DOUB N5 C6 ? ? SING C6 C7 ? ? SING C6 C9 ? ? DOUB C7 N8 ? ? SING C7 H7 ? ? SING N8 C8A ? ? SING C9 N10 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING N10 C14 ? ? SING N10 HN0 ? ? DOUB C11 C12 ? ? SING C11 C16 ? ? SING C11 C ? ? SING C12 C13 ? ? SING C12 H12 ? ? DOUB C13 C14 ? ? SING C13 H13 ? ? SING C14 C15 ? ? DOUB C15 C16 ? ? SING C15 H15 ? ? SING C16 H16 ? ? DOUB C O ? ? SING C N ? ? SING N CA ? ? SING N HN ? ? SING CA CB ? ? SING CA CT ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB1 ? ? SING CB HB2 ? ? SING CG CD ? ? SING CG HG1 ? ? SING CG HG2 ? ? DOUB CD OE1 ? ? SING CD OE2 ? ? SING OE2 HOE2 ? ? DOUB CT O1 ? ? SING CT O2 ? ? SING O2 HO2 ? ? stop_ save_ save_chem_comp_2'-OMe-guanosine _Saveframe_category polymer_residue _Mol_type . _Name_common 2'-OMe-guanosine _BMRB_code . _PDB_code MG _Standard_residue_derivative . _Molecular_mass . _Mol_paramagnetic no _Details . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ISIS401156 . . . . . . $ISIS401157 . . . . . . 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 $ISIS401156 'chemical synthesis' . . . . . $ISIS401157 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ISIS_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ISIS401156 2 mM 'natural abundance' $ISIS401157 2 mM 'natural abundance' D2O 100 % 'natural abundance' NaCl 20 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_ISIS_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ISIS401156 2 mM 'natural abundance' $ISIS401157 2 mM 'natural abundance' H2O 100 % 'natural abundance' NaCl 20 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.2C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $ISIS_D2O save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $ISIS_D2O save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $ISIS_H2O save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $ISIS_D2O save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $ISIS_H2O save_ save_2D_HP-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HP-COSY' _Sample_label $ISIS_D2O save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $ISIS_D2O save_ ####################### # Sample conditions # ####################### save_RT _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_5C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.8 . pH pressure 1 . atm temperature 278 . 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 water H 1 protons ppm 4.8 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_Shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $ISIS_D2O $ISIS_H2O stop_ _Sample_conditions_label $RT _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name ISIS401156 _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 FG H1' H 6.167 . 1 2 1 1 FG H2' H 5.570 . 1 3 1 1 FG H3' H 4.688 . 1 4 1 1 FG H8 H 8.095 . 1 5 2 2 MG H1' H 6.033 . 1 6 2 2 MG H8 H 7.362 . 1 7 2 2 MG HM'1 H 3.832 . 2 8 2 2 MG HM'2 H 3.832 . 2 9 2 2 MG HM'3 H 3.832 . 2 10 2 2 MG H1 H 12.485 . 1 11 3 3 FG H1' H 6.131 . 1 12 3 3 FG H2' H 5.114 . 1 13 3 3 FG H8 H 7.205 . 1 14 3 3 FG H1 H 13.086 . 1 15 4 4 MU H1' H 5.719 . 1 16 4 4 MU H5 H 5.180 . 1 17 4 4 MU H6 H 7.773 . 1 18 4 4 MU HM'1 H 3.673 . 2 19 4 4 MU HM'2 H 3.673 . 2 20 4 4 MU HM'3 H 3.673 . 2 21 4 4 MU H3 H 13.308 . 1 22 5 5 FOL H1' H 6.318 . 1 23 5 5 FOL H2 H 6.393 . 1 24 5 5 FOL H2' H 5.255 . 1 25 5 5 FOL H3' H 4.825 . 1 26 5 5 FOL H8 H 8.009 . 1 27 6 6 MA H1' H 5.982 . 1 28 6 6 MA H2 H 7.104 . 1 29 6 6 MA H8 H 7.778 . 1 30 6 6 MA HM'1 H 3.728 . 2 31 6 6 MA HM'2 H 3.728 . 2 32 6 6 MA HM'3 H 3.728 . 2 33 7 7 FOL H1' H 6.179 . 1 34 7 7 FOL H2 H 7.647 . 1 35 7 7 FOL H2' H 5.026 . 1 36 7 7 FOL H8 H 7.665 . 1 37 8 8 MU H1' H 5.668 . 1 38 8 8 MU H5 H 5.066 . 1 39 8 8 MU H6 H 7.591 . 1 40 8 8 MU HM'1 H 3.638 . 2 41 8 8 MU HM'2 H 3.638 . 2 42 8 8 MU HM'3 H 3.638 . 2 43 8 8 MU H3 H 13.100 . 1 44 9 9 FOL H1' H 6.366 . 1 45 9 9 FOL H2 H 7.083 . 1 46 9 9 FOL H2' H 5.156 . 1 47 9 9 FOL H3' H 4.798 . 1 48 9 9 FOL H8 H 8.058 . 1 49 10 10 MC H1' H 5.553 . 1 50 10 10 MC H5 H 5.244 . 1 51 10 10 MC H6 H 7.623 . 1 52 10 10 MC HM'1 H 3.598 . 2 53 10 10 MC HM'2 H 3.598 . 2 54 10 10 MC HM'3 H 3.598 . 2 55 11 11 FOL H1' H 6.259 . 1 56 11 11 FOL H2 H 7.363 . 1 57 11 11 FOL H2' H 5.161 . 1 58 11 11 FOL H3' H 4.760 . 1 59 11 11 FOL H8 H 8.005 . 1 60 12 12 MU H1' H 5.780 . 1 61 12 12 MU H5 H 5.069 . 1 62 12 12 MU H6 H 7.720 . 1 63 12 12 MU HM'1 H 3.673 . 2 64 12 12 MU HM'2 H 3.673 . 2 65 12 12 MU HM'3 H 3.673 . 2 66 12 12 MU H3 H 13.804 . 1 67 13 13 FU H1' H 6.013 . 1 68 13 13 FU H2' H 5.188 . 1 69 13 13 FU H5 H 5.535 . 1 70 13 13 FU H6 H 7.882 . 1 71 13 13 FU H3 H 13.875 . 1 72 14 14 MC H1' H 5.777 . 1 73 14 14 MC H5 H 5.692 . 1 74 14 14 MC H6 H 7.949 . 1 75 14 14 MC HM'1 H 3.671 . 2 76 14 14 MC HM'2 H 3.671 . 2 77 14 14 MC HM'3 H 3.671 . 2 78 15 15 FU H1' H 5.831 . 1 79 15 15 FU H2' H 5.131 . 1 80 15 15 FU H5 H 5.419 . 1 81 15 15 FU H6 H 7.833 . 1 82 15 15 FU H3 H 14.148 . 1 83 16 16 MU H1' H 5.877 . 1 84 16 16 MU H5 H 5.625 . 1 85 16 16 MU H6 H 8.077 . 1 86 16 16 MU HM'1 H 3.690 . 2 87 16 16 MU HM'2 H 3.690 . 2 88 16 16 MU HM'3 H 3.690 . 2 89 16 16 MU H3 H 13.627 . 1 90 17 17 FC H1' H 5.812 . 1 91 17 17 FC H2' H 5.116 . 1 92 17 17 FC H5 H 5.672 . 1 93 17 17 FC H6 H 7.747 . 1 94 18 18 MA H1' H 6.082 . 1 95 18 18 MA H2 H 7.409 . 1 96 18 18 MA H8 H 8.092 . 1 97 18 18 MA HM'1 H 3.743 . 2 98 18 18 MA HM'2 H 3.743 . 2 99 18 18 MA HM'3 H 3.743 . 2 100 19 19 FU H1' H 5.826 . 1 101 19 19 FU H2' H 4.954 . 1 102 19 19 FU H5 H 5.096 . 1 103 19 19 FU H6 H 7.269 . 1 104 20 20 MU H1' H 5.667 . 1 105 20 20 MU H5 H 5.598 . 1 106 20 20 MU H6 H 7.617 . 1 107 20 20 MU HM'1 H 3.362 . 2 108 20 20 MU HM'2 H 3.362 . 2 109 20 20 MU HM'3 H 3.362 . 2 110 21 21 FU H1' H 5.856 . 1 111 21 21 FU H2' H 4.984 . 1 112 21 21 FU H3' H 4.288 . 1 113 21 21 FU H5 H 5.676 . 1 114 21 21 FU H6 H 7.670 . 1 stop_ save_ save_Shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $ISIS_D2O $ISIS_H2O stop_ _Sample_conditions_label $RT _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name ISIS401157 _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 22 1 MA H1' H 6.187 . 1 2 22 1 MA H2 H 7.902 . 1 3 22 1 MA H2' H 4.791 . 1 4 22 1 MA H8 H 8.697 . 1 5 22 1 MA HM'1 H 3.803 . 2 6 22 1 MA HM'2 H 3.803 . 2 7 22 1 MA HM'3 H 3.803 . 2 8 23 2 FU H1' H 5.932 . 1 9 23 2 FU H2' H 5.418 . 1 10 23 2 FU H3' H 4.613 . 1 11 23 2 FU H5 H 5.174 . 1 12 23 2 FU H6 H 7.562 . 1 13 24 3 MG H1' H 6.007 . 1 14 24 3 MG H8 H 7.638 . 1 15 24 3 MG HM'1 H 3.808 . 2 16 24 3 MG HM'2 H 3.808 . 2 17 24 3 MG HM'3 H 3.808 . 2 18 24 3 MG H1 H 11.456 . 1 19 25 4 FOL H1' H 6.149 . 1 20 25 4 FOL H2 H 7.038 . 1 21 25 4 FOL H2' H 5.217 . 1 22 25 4 FOL H3' H 4.742 . 1 23 25 4 FOL H8 H 7.641 . 1 24 26 5 MA H1' H 6.075 . 1 25 26 5 MA H2 H 7.391 . 1 26 26 5 MA H8 H 7.663 . 1 27 26 5 MA HM'1 H 3.752 . 2 28 26 5 MA HM'2 H 3.752 . 2 29 26 5 MA HM'3 H 3.752 . 2 30 27 6 FG H1' H 5.877 . 1 31 27 6 FG H2' H 5.124 . 1 32 27 6 FG H3' H 4.516 . 1 33 27 6 FG H8 H 6.963 . 1 34 27 6 FG H1 H 12.446 . 1 35 28 7 MA H1' H 6.027 . 1 36 28 7 MA H2 H 7.223 . 1 37 28 7 MA H8 H 7.690 . 1 38 28 7 MA HM'1 H 3.770 . 2 39 28 7 MA HM'2 H 3.770 . 2 40 28 7 MA HM'3 H 3.770 . 2 41 29 8 FOL H1' H 6.220 . 1 42 29 8 FOL H2 H 7.722 . 1 43 29 8 FOL H2' H 5.120 . 1 44 29 8 FOL H8 H 7.617 . 1 45 30 9 MU H1' H 5.694 . 1 46 30 9 MU H5 H 5.025 . 1 47 30 9 MU H6 H 7.531 . 1 48 30 9 MU HM'1 H 3.678 . 2 49 30 9 MU HM'2 H 3.678 . 2 50 30 9 MU HM'3 H 3.678 . 2 51 30 9 MU H3 H 13.333 . 1 52 31 10 FG H1' H 6.197 . 1 53 31 10 FG H2' H 5.096 . 1 54 31 10 FG H8 H 7.627 . 1 55 31 10 FG H1 H 12.478 . 1 56 32 11 MU H1' H 5.670 . 1 57 32 11 MU H5 H 5.235 . 1 58 32 11 MU H6 H 7.803 . 1 59 32 11 MU HM'1 H 3.654 . 2 60 32 11 MU HM'2 H 3.654 . 2 61 32 11 MU HM'3 H 3.654 . 2 62 32 11 MU H3 H 13.246 . 1 63 33 12 FOL H1' H 6.395 . 1 64 33 12 FOL H2 H 7.051 . 1 65 33 12 FOL H2' H 5.181 . 1 66 33 12 FOL H3' H 4.755 . 1 67 33 12 FOL H8 H 8.095 . 1 68 34 13 MU H1' H 5.710 . 1 69 34 13 MU H5 H 5.077 . 1 70 34 13 MU H6 H 7.693 . 1 71 34 13 MU HM'1 H 3.644 . 2 72 34 13 MU HM'2 H 3.644 . 2 73 34 13 MU HM'3 H 3.644 . 2 74 34 13 MU H3 H 13.733 . 1 75 35 14 FU H1' H 6.008 . 1 76 35 14 FU H2' H 5.101 . 1 77 35 14 FU H5 H 5.557 . 1 78 35 14 FU H6 H 7.880 . 1 79 35 14 FU H3 H 13.930 . 1 80 36 15 MU H1' H 5.848 . 1 81 36 15 MU H5 H 5.672 . 1 82 36 15 MU H6 H 8.078 . 1 83 36 15 MU HM'1 H 3.663 . 2 84 36 15 MU HM'2 H 3.663 . 2 85 36 15 MU HM'3 H 3.663 . 2 86 36 15 MU H3 H 12.889 . 1 87 37 16 FOL H1' H 6.347 . 1 88 37 16 FOL H2 H 7.098 . 1 89 37 16 FOL H2' H 5.143 . 1 90 37 16 FOL H3' H 4.852 . 1 91 37 16 FOL H8 H 8.196 . 1 92 38 17 MC H1' H 5.612 . 1 93 38 17 MC H5 H 5.243 . 1 94 38 17 MC H6 H 7.650 . 1 95 38 17 MC HM'1 H 3.579 . 2 96 38 17 MC HM'2 H 3.579 . 2 97 38 17 MC HM'3 H 3.579 . 2 98 39 18 FC H1' H 5.798 . 1 99 39 18 FC H2' H 5.056 . 1 100 39 18 FC H5 H 5.415 . 1 101 39 18 FC H6 H 7.649 . 1 102 40 19 MC H1' H 5.720 . 1 103 40 19 MC H5 H 5.446 . 1 104 40 19 MC H6 H 7.592 . 1 105 40 19 MC HM'1 H 3.639 . 2 106 40 19 MC HM'2 H 3.639 . 2 107 40 19 MC HM'3 H 3.639 . 2 108 41 20 FU H1' H 5.822 . 1 109 41 20 FU H2' H 4.918 . 1 110 41 20 FU H5 H 5.562 . 1 111 41 20 FU H6 H 7.590 . 1 112 42 21 MU H1' H 5.889 . 1 113 42 21 MU H5 H 5.754 . 1 114 42 21 MU H6 H 7.745 . 1 115 42 21 MU HM'1 H 3.397 . 2 116 42 21 MU HM'2 H 3.397 . 2 117 42 21 MU HM'3 H 3.397 . 2 stop_ save_