data_18427 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of 2'F-ANA and ANA self-complementary duplex ; _BMRB_accession_number 18427 _BMRB_flat_file_name bmr18427.str _Entry_type original _Submission_date 2012-04-26 _Accession_date 2012-04-26 _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 Martin-Pintado Nerea . . 2 Yahyaee Maryam . . 3 Campos Ramon . . 4 Noronha Anne . . 5 Wilds Cristopher . . 6 Damha Masad . . 7 Gonzalez Carlos . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 72 "19F chemical shifts" 7 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-15 update BMRB 'update entry citation' 2012-07-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The solution structure of double helical arabino nucleic acids (ANA and 2'F-ANA): effect of arabinoses in duplex-hairpin interconversion.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22798499 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martin-Pintado Nerea . . 2 Yahyaee-Anzahaee Maryam . . 3 Campos-Olivas Ramon . . 4 Noronha Anne M. . 5 Wilds Christopher J. . 6 Damha Masad J. . 7 Gonzalez Carlos . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 40 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9329 _Page_last 9339 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '2'F-ANA and ANA self-complementary duplex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DNA/RNA_chain_A $DNA-RNA_chain DNA/RNA_chain_B $DNA-RNA_chain 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_DNA-RNA_chain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA/RNA_(5'-D(*(CFL)P*(GFL)P*(CFL)P*(GFL))-R(P*(A5O)P*(A5O)P*(UAR)P*(UAR))-D(P*(CFL)P*(GFL)P*(CFL)P*(GFL))-3')_ _Molecular_mass 3843.290 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 12 _Mol_residue_sequence XXXXXXXXXXXX loop_ _Residue_seq_code _Residue_label 1 CFL 2 GFL 3 CFL 4 GFL 5 A5O 6 A5O 7 UAR 8 UAR 9 CFL 10 GFL 11 CFL 12 GFL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_CFL _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one _BMRB_code CFL _PDB_code CFL _Standard_residue_derivative . _Molecular_mass 325.188 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1' C1' C . 0 . ? C2 C2 C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? C4 C4 C . 0 . ? C4' C4' C . 0 . ? C5 C5 C . 0 . ? C5' C5' C . 0 . ? C6 C6 C . 0 . ? F F F . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? H5 H5 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H6 H6 H . 0 . ? HN41 HN41 H . 0 . ? HN42 HN42 H . 0 . ? HO1P HO1P H . 0 . ? HO3' HO3' H . 0 . ? HO3P HO3P H . 0 . ? N1 N1 N . 0 . ? N3 N3 N . 0 . ? N4 N4 N . 0 . ? O1P O1P O . 0 . ? O2 O2 O . 0 . ? O2P O2P O . 0 . ? O3' O3' O . 0 . ? O3P O3P O . 0 . ? O4' O4' O . 0 . ? O5' O5' O . 0 . ? P P P . 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 O3P P ? ? SING O3P HO3P ? ? SING P O1P ? ? DOUB P O2P ? ? SING P O5' ? ? SING O1P HO1P ? ? 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' HO3' ? ? SING C2' C1' ? ? SING C2' F ? ? SING C2' H2' ? ? SING C1' N1 ? ? SING C1' H1' ? ? SING N1 C2 ? ? SING N1 C6 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? DOUB N3 C4 ? ? SING C4 N4 ? ? SING C4 C5 ? ? SING N4 HN41 ? ? SING N4 HN42 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 H6 ? ? stop_ save_ save_chem_comp_GFL _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common 2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE _BMRB_code GFL _PDB_code GFL _Standard_residue_derivative . _Molecular_mass 365.212 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1' C1' C . 0 . ? C2 C2 C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? C4 C4 C . 0 . ? C4' C4' C . 0 . ? C5 C5 C . 0 . ? C5' C5' C . 0 . ? C6 C6 C . 0 . ? C8 C8 C . 0 . ? F F F . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? HO2P HO2P H . 0 . ? HO3' HO3' H . 0 . ? HO3P HO3P H . 0 . ? N1 N1 N . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? N7 N7 N . 0 . ? N9 N9 N . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3' O3' O . 0 . ? O3P O3P O . 0 . ? O4' O4' O . 0 . ? O5' O5' O . 0 . ? O6 O6 O . 0 . ? P P P . 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 O3P P ? ? SING O3P HO3P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O5' ? ? SING O2P HO2P ? ? 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' HO3' ? ? SING C2' C1' ? ? SING C2' F ? ? SING C2' H2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ save_ save_chem_comp_A5O _Saveframe_category polymer_residue _Mol_type 'RNA LINKING' _Name_common 'ADENINE ARABINOSE-5'-PHOSPHATE' _BMRB_code A5O _PDB_code A5O _Standard_residue_derivative . _Molecular_mass 347.221 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1' C1' C . 0 . ? C2 C2 C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? C4 C4 C . 0 . ? C4' C4' C . 0 . ? C5 C5 C . 0 . ? C5' C5' C . 0 . ? C6 C6 C . 0 . ? C8 C8 C . 0 . ? H1' H1' H . 0 . ? H2 H2 H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? H5' H5' H . 0 . ? H5'A H5'A H . 0 . ? H8 H8 H . 0 . ? HN6 HN6 H . 0 . ? HN6A HN6A H . 0 . ? HO2' HO2' H . 0 . ? HO3' HO3' H . 0 . ? HOP1 HOP1 H . 0 . ? HOP3 HOP3 H . 0 . ? N1 N1 N . 0 . ? N3 N3 N . 0 . ? N6 N6 N . 0 . ? N7 N7 N . 0 . ? N9 N9 N . 0 . ? O2' O2' O . 0 . ? O3' O3' O . 0 . ? O4' O4' O . 0 . ? O5' O5' O . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? OP3 OP3 O . 0 . ? P P P . 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 OP2 P ? ? SING P OP1 ? ? SING P O5' ? ? SING P OP3 ? ? DOUB C6 N1 ? ? SING N1 C2 ? ? DOUB N3 C2 ? ? SING C2 H2 ? ? SING C4 N3 ? ? DOUB C5 C4 ? ? SING N9 C4 ? ? SING N7 C5 ? ? SING C5 C6 ? ? SING N6 C6 ? ? SING HN6 N6 ? ? SING N6 HN6A ? ? DOUB N7 C8 ? ? SING H8 C8 ? ? SING C8 N9 ? ? SING N9 C1' ? ? SING C2' C1' ? ? SING C1' H1' ? ? SING C1' O4' ? ? SING O2' C2' ? ? SING H2' C2' ? ? SING C2' C3' ? ? SING O2' HO2' ? ? SING H3' C3' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING O3' HO3' ? ? SING C5' C4' ? ? SING O4' C4' ? ? SING C4' H4' ? ? SING O5' C5' ? ? SING C5' H5'A ? ? SING C5' H5' ? ? SING OP1 HOP1 ? ? SING OP3 HOP3 ? ? stop_ save_ save_chem_comp_UAR _Saveframe_category polymer_residue _Mol_type 'RNA LINKING' _Name_common 'URACIL ARABINOSE-5'-PHOSPHATE' _BMRB_code UAR _PDB_code UAR _Standard_residue_derivative . _Molecular_mass 324.181 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1' C1' C . 0 . ? C2 C2 C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? C4 C4 C . 0 . ? C4' C4' C . 0 . ? C5 C5 C . 0 . ? C5' C5' C . 0 . ? C6 C6 C . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? H3 H3 H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? H5 H5 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H6 H6 H . 0 . ? HO2' HO2' H . 0 . ? HO3' HO3' H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? N1 N1 N . 0 . ? N3 N3 N . 0 . ? O2 O2 O . 0 . ? O2' O2' O . 0 . ? O3' O3' O . 0 . ? O4 O4 O . 0 . ? O4' O4' O . 0 . ? O5' O5' O . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? OP3 OP3 O . 0 . ? P P P . 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 OP3 P ? ? SING OP3 HOP3 ? ? DOUB P OP1 ? ? SING P OP2 ? ? SING P O5' ? ? SING OP2 HOP2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? 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 $DNA-RNA_chain Human 9606 Eukaryota Metazoa Homo sapiens 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 $DNA-RNA_chain '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 'potassium phosphate' 25 mM 'natural abundance' $DNA-RNA_chain 0.8 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $DNA-RNA_chain 0.8 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . 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_2 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_1H-19F_HOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-19F HOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-19F_HOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-19F HOESY' _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 temperature 273 . K pH 7.0 . pH pressure 1 . atm 'ionic strength' 100 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details '19F Chemical Shifts' 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 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DNA/RNA_chain_A _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 CFL H1' H 5.950 . . 2 1 1 CFL H2' H 5.360 . . 3 1 1 CFL H4' H 4.154 . . 4 1 1 CFL H5 H 5.961 . 1 5 1 1 CFL H5'1 H 3.844 . . 6 1 1 CFL H5'2 H 3.926 . 2 7 1 1 CFL H6 H 7.641 . 1 8 1 1 CFL HN41 H 8.201 . 2 9 1 1 CFL F F -120.488 . . 10 2 2 GFL H1' H 5.961 . . 11 2 2 GFL H2' H 5.537 . . 12 2 2 GFL H3' H 4.993 . . 13 2 2 GFL H4' H 4.285 . . 14 2 2 GFL H8 H 7.624 . 1 15 2 2 GFL HN1 H 13.010 . 1 16 2 2 GFL F F -119.468 . . 17 3 3 CFL H1' H 5.802 . . 18 3 3 CFL H2' H 5.410 . . 19 3 3 CFL H4' H 4.186 . . 20 3 3 CFL H5 H 5.218 . 1 21 3 3 CFL H6 H 7.151 . 1 22 3 3 CFL HN41 H 8.599 . 2 23 3 3 CFL HN42 H 6.640 . 2 24 3 3 CFL F F -118.451 . . 25 4 4 GFL H1' H 5.835 . . 26 4 4 GFL H2' H 5.579 . . 27 4 4 GFL H3' H 4.982 . . 28 4 4 GFL H4' H 4.239 . . 29 4 4 GFL H8 H 7.427 . 1 30 4 4 GFL HN1 H 12.490 . 1 31 4 4 GFL F F -119.213 . . 32 5 5 A5O H1' H 6.012 . . 33 5 5 A5O H2 H 7.284 . 1 34 5 5 A5O H2' H 4.805 . . 35 5 5 A5O H8 H 7.679 . 1 36 6 6 A5O H1' H 5.806 . . 37 6 6 A5O H2 H 7.402 . 1 38 6 6 A5O H2' H 4.615 . . 39 6 6 A5O H3' H 4.452 . . 40 6 6 A5O H4' H 4.365 . . 41 6 6 A5O H8 H 7.327 . 1 42 7 7 UAR H1' H 5.712 . . 43 7 7 UAR H2' H 4.409 . . 44 7 7 UAR H3 H 14.029 . 1 45 7 7 UAR H4' H 4.021 . . 46 7 7 UAR H5 H 5.419 . 1 47 7 7 UAR H6 H 7.171 . 1 48 8 8 UAR H1' H 5.851 . . 49 8 8 UAR H2' H 4.437 . . 50 8 8 UAR H3 H 13.839 . 1 51 8 8 UAR H4' H 4.143 . . 52 8 8 UAR H5 H 5.123 . 1 53 8 8 UAR H6 H 7.321 . 1 54 9 9 CFL H1' H 5.920 . . 55 9 9 CFL H2' H 5.481 . . 56 9 9 CFL H5 H 5.843 . 1 57 9 9 CFL H6 H 7.027 . 1 58 9 9 CFL HN41 H 8.652 . 2 59 9 9 CFL HN42 H 6.942 . 2 60 10 10 GFL H1' H 5.895 . . 61 10 10 GFL H2' H 5.570 . . 62 10 10 GFL H3' H 5.002 . . 63 10 10 GFL H4' H 4.037 . . 64 10 10 GFL H8 H 7.478 . 1 65 10 10 GFL HN1 H 12.865 . 1 66 10 10 GFL F F -118.578 . . 67 11 11 CFL H1' H 5.860 . . 68 11 11 CFL H2' H 5.419 . . 69 11 11 CFL H5 H 5.283 . 1 70 11 11 CFL H6 H 7.143 . 1 71 11 11 CFL HN41 H 8.663 . 2 72 11 11 CFL HN42 H 6.775 . 2 73 11 11 CFL F F -117.822 . . 74 12 12 GFL H1' H 6.147 . . 75 12 12 GFL H2' H 5.133 . . 76 12 12 GFL H3' H 4.633 . . 77 12 12 GFL H4' H 4.034 . . 78 12 12 GFL H8 H 7.506 . 1 79 12 12 GFL F F -118.553 . . stop_ save_