NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
607798 |
2n5o   |
25723 | cing | 4-filtered-FRED | STAR | entry | full |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n5o
# This FRED archive file contains, for PDB entry <2n5o>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2n5o
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2n5o"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2n5o"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2n5o "Master copy" rr_2n5o
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2n5o
_Assembly.ID 1
_Assembly.Name 2n5o
_Assembly.Number_of_components 2
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 5585.51708
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "DNA 5 D AP TP GP GP 4EN P GP CP TP C 3" 1 $DNA__5__D__AP_TP_GP_GP__4EN_P_GP_CP_TP_C__3__ A . no . . . . . . rr_2n5o 1
2 "DNA 5 D GP AP GP CP TP CP CP AP T 3" 2 $DNA__5__D__GP_AP_GP_CP_TP_CP_CP_AP_T__3__ B . no . . . . . . rr_2n5o 1
stop_
save_
save_DNA__5__D__AP_TP_GP_GP__4EN_P_GP_CP_TP_C__3__
_Entity.Sf_category entity
_Entity.Sf_framecode DNA__5__D__AP_TP_GP_GP__4EN_P_GP_CP_TP_C__3__
_Entity.Entry_ID rr_2n5o
_Entity.ID 1
_Entity.Name DNA__5__D__AP_TP_GP_GP__4EN_P_GP_CP_TP_C__3__
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code ATGGXGCTC
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 9
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2812.77074
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . DA . rr_2n5o 1
2 . DT . rr_2n5o 1
3 . DG . rr_2n5o 1
4 . DG . rr_2n5o 1
5 . . . rr_2n5o 1
6 . DG . rr_2n5o 1
7 . DC . rr_2n5o 1
8 . DT . rr_2n5o 1
9 . DC . rr_2n5o 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. DA 1 1 rr_2n5o 1
. DT 2 2 rr_2n5o 1
. DG 3 3 rr_2n5o 1
. DG 4 4 rr_2n5o 1
. . 5 5 rr_2n5o 1
. DG 6 6 rr_2n5o 1
. DC 7 7 rr_2n5o 1
. DT 8 8 rr_2n5o 1
. DC 9 9 rr_2n5o 1
stop_
save_
save_DNA__5__D__GP_AP_GP_CP_TP_CP_CP_AP_T__3__
_Entity.Sf_category entity
_Entity.Sf_framecode DNA__5__D__GP_AP_GP_CP_TP_CP_CP_AP_T__3__
_Entity.Entry_ID rr_2n5o
_Entity.ID 2
_Entity.Name DNA__5__D__GP_AP_GP_CP_TP_CP_CP_AP_T__3__
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code GAGCTCCAT
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 9
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
_Entity.Formula_weight 2772.74634
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . DG . rr_2n5o 2
2 . DA . rr_2n5o 2
3 . DG . rr_2n5o 2
4 . DC . rr_2n5o 2
5 . DT . rr_2n5o 2
6 . DC . rr_2n5o 2
7 . DC . rr_2n5o 2
8 . DA . rr_2n5o 2
9 . DT . rr_2n5o 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. DG 1 1 rr_2n5o 2
. DA 2 2 rr_2n5o 2
. DG 3 3 rr_2n5o 2
. DC 4 4 rr_2n5o 2
. DT 5 5 rr_2n5o 2
. DC 6 6 rr_2n5o 2
. DC 7 7 rr_2n5o 2
. DA 8 8 rr_2n5o 2
. DT 9 9 rr_2n5o 2
stop_
save_
save_chem_comp_4EN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_4EN
_Chem_comp.Entry_ID rr_2n5o
_Chem_comp.ID 1
_Chem_comp.Name 4en
_Chem_comp.Type "DNA linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C10 H11 N5 O5 P"
_Chem_comp.Formula_weight 312.20116
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2n5o
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_2n5o
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_2n5o 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_2n5o 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 DA C1' C 18.297 35.991 18.607 . . . 1.0 . . . . . . . . . . . . A . 1 DA C1' . . . . . . . . . rr_2n5o 1
. 1 . 2 . 1 1 1 DA C2 C 22.258 34.681 17.245 . . . 1.0 . . . . . . . . . . . . A . 1 DA C2 . . . . . . . . . rr_2n5o 1
. 1 . 3 . 1 1 1 DA C2' C 17.531 35.533 19.850 . . . 1.0 . . . . . . . . . . . . A . 1 DA C2' . . . . . . . . . rr_2n5o 1
. 1 . 4 . 1 1 1 DA C3' C 16.087 35.873 19.486 . . . 1.0 . . . . . . . . . . . . A . 1 DA C3' . . . . . . . . . rr_2n5o 1
. 1 . 5 . 1 1 1 DA C4 C 20.840 35.954 18.408 . . . 1.0 . . . . . . . . . . . . A . 1 DA C4 . . . . . . . . . rr_2n5o 1
. 1 . 6 . 1 1 1 DA C4' C 16.248 37.109 18.599 . . . 1.0 . . . . . . . . . . . . A . 1 DA C4' . . . . . . . . . rr_2n5o 1
. 1 . 7 . 1 1 1 DA C5 C 21.835 36.768 18.881 . . . 1.0 . . . . . . . . . . . . A . 1 DA C5 . . . . . . . . . rr_2n5o 1
. 1 . 8 . 1 1 1 DA C5' C 16.029 38.440 19.345 . . . 1.0 . . . . . . . . . . . . A . 1 DA C5' . . . . . . . . . rr_2n5o 1
. 1 . 9 . 1 1 1 DA C6 C 23.130 36.418 18.437 . . . 1.0 . . . . . . . . . . . . A . 1 DA C6 . . . . . . . . . rr_2n5o 1
. 1 . 10 . 1 1 1 DA C8 C 20.034 37.556 19.672 . . . 1.0 . . . . . . . . . . . . A . 1 DA C8 . . . . . . . . . rr_2n5o 1
. 1 . 11 . 1 1 1 DA H1' H 18.351 35.153 17.901 . . . 1.0 . . . . . . . . . . . . A . 1 DA H1' . . . . . . . . . rr_2n5o 1
. 1 . 12 . 1 1 1 DA H2 H 22.457 33.845 16.587 . . . 1.0 . . . . . . . . . . . . A . 1 DA H2 . . . . . . . . . rr_2n5o 1
. 1 . 13 . 1 1 1 DA H2' H 17.832 36.099 20.734 . . . 1.0 . . . . . . . . . . . . A . 1 DA H2' . . . . . . . . . rr_2n5o 1
. 1 . 14 . 1 1 1 DA H2'' H 17.670 34.466 20.020 . . . 1.0 . . . . . . . . . . . . A . 1 DA H2'' . . . . . . . . . rr_2n5o 1
. 1 . 15 . 1 1 1 DA H3' H 15.476 36.118 20.362 . . . 1.0 . . . . . . . . . . . . A . 1 DA H3' . . . . . . . . . rr_2n5o 1
. 1 . 16 . 1 1 1 DA H4' H 15.503 37.055 17.802 . . . 1.0 . . . . . . . . . . . . A . 1 DA H4' . . . . . . . . . rr_2n5o 1
. 1 . 17 . 1 1 1 DA H5' H 16.203 39.258 18.644 . . . 1.0 . . . . . . . . . . . . A . 1 DA H5' . . . . . . . . . rr_2n5o 1
. 1 . 18 . 1 1 1 DA H5'' H 14.983 38.495 19.653 . . . 1.0 . . . . . . . . . . . . A . 1 DA H5'' . . . . . . . . . rr_2n5o 1
. 1 . 19 . 1 1 1 DA H61 H 24.174 37.869 19.367 . . . 1.0 . . . . . . . . . . . . A . 1 DA H61 . . . . . . . . . rr_2n5o 1
. 1 . 20 . 1 1 1 DA H62 H 25.102 36.832 18.294 . . . 1.0 . . . . . . . . . . . . A . 1 DA H62 . . . . . . . . . rr_2n5o 1
. 1 . 21 . 1 1 1 DA H8 H 19.313 38.169 20.199 . . . 1.0 . . . . . . . . . . . . A . 1 DA H8 . . . . . . . . . rr_2n5o 1
. 1 . 22 . 1 1 1 DA HO5' H 16.507 38.064 21.233 . . . 1.0 . . . . . . . . . . . . A . 1 DA HO5' . . . . . . . . . rr_2n5o 1
. 1 . 23 . 1 1 1 DA N1 N 23.315 35.386 17.617 . . . 1.0 . . . . . . . . . . . . A . 1 DA N1 . . . . . . . . . rr_2n5o 1
. 1 . 24 . 1 1 1 DA N3 N 20.984 34.871 17.586 . . . 1.0 . . . . . . . . . . . . A . 1 DA N3 . . . . . . . . . rr_2n5o 1
. 1 . 25 . 1 1 1 DA N6 N 24.228 37.084 18.737 . . . 1.0 . . . . . . . . . . . . A . 1 DA N6 . . . . . . . . . rr_2n5o 1
. 1 . 26 . 1 1 1 DA N7 N 21.318 37.804 19.671 . . . 1.0 . . . . . . . . . . . . A . 1 DA N7 . . . . . . . . . rr_2n5o 1
. 1 . 27 . 1 1 1 DA N9 N 19.665 36.471 18.910 . . . 1.0 . . . . . . . . . . . . A . 1 DA N9 . . . . . . . . . rr_2n5o 1
. 1 . 28 . 1 1 1 DA O3' O 15.483 34.835 18.727 . . . 1.0 . . . . . . . . . . . . A . 1 DA O3' . . . . . . . . . rr_2n5o 1
. 1 . 29 . 1 1 1 DA O4' O 17.554 37.057 18.025 . . . 1.0 . . . . . . . . . . . . A . 1 DA O4' . . . . . . . . . rr_2n5o 1
. 1 . 30 . 1 1 1 DA O5' O 16.860 38.611 20.492 . . . 1.0 . . . . . . . . . . . . A . 1 DA O5' . . . . . . . . . rr_2n5o 1
. 1 . 31 . 1 1 2 DT C1' C 19.420 30.864 18.784 . . . 1.0 . . . . . . . . . . . . A . 2 DT C1' . . . . . . . . . rr_2n5o 1
. 1 . 32 . 1 1 2 DT C2 C 21.735 31.732 19.098 . . . 1.0 . . . . . . . . . . . . A . 2 DT C2 . . . . . . . . . rr_2n5o 1
. 1 . 33 . 1 1 2 DT C2' C 18.545 30.020 19.712 . . . 1.0 . . . . . . . . . . . . A . 2 DT C2' . . . . . . . . . rr_2n5o 1
. 1 . 34 . 1 1 2 DT C3' C 17.354 29.655 18.810 . . . 1.0 . . . . . . . . . . . . A . 2 DT C3' . . . . . . . . . rr_2n5o 1
. 1 . 35 . 1 1 2 DT C4 C 22.219 33.513 20.713 . . . 1.0 . . . . . . . . . . . . A . 2 DT C4 . . . . . . . . . rr_2n5o 1
. 1 . 36 . 1 1 2 DT C4' C 17.326 30.832 17.813 . . . 1.0 . . . . . . . . . . . . A . 2 DT C4' . . . . . . . . . rr_2n5o 1
. 1 . 37 . 1 1 2 DT C5 C 20.791 33.526 21.030 . . . 1.0 . . . . . . . . . . . . A . 2 DT C5 . . . . . . . . . rr_2n5o 1
. 1 . 38 . 1 1 2 DT C5' C 16.089 31.740 17.905 . . . 1.0 . . . . . . . . . . . . A . 2 DT C5' . . . . . . . . . rr_2n5o 1
. 1 . 39 . 1 1 2 DT C6 C 19.937 32.668 20.409 . . . 1.0 . . . . . . . . . . . . A . 2 DT C6 . . . . . . . . . rr_2n5o 1
. 1 . 40 . 1 1 2 DT C7 C 20.248 34.498 22.063 . . . 1.0 . . . . . . . . . . . . A . 2 DT C7 . . . . . . . . . rr_2n5o 1
. 1 . 41 . 1 1 2 DT H1' H 19.984 30.272 18.075 . . . 1.0 . . . . . . . . . . . . A . 2 DT H1' . . . . . . . . . rr_2n5o 1
. 1 . 42 . 1 1 2 DT H2' H 18.267 30.604 20.591 . . . 1.0 . . . . . . . . . . . . A . 2 DT H2' . . . . . . . . . rr_2n5o 1
. 1 . 43 . 1 1 2 DT H2'' H 19.062 29.130 20.033 . . . 1.0 . . . . . . . . . . . . A . 2 DT H2'' . . . . . . . . . rr_2n5o 1
. 1 . 44 . 1 1 2 DT H3 H 23.560 32.552 19.485 . . . 1.0 . . . . . . . . . . . . A . 2 DT H3 . . . . . . . . . rr_2n5o 1
. 1 . 45 . 1 1 2 DT H3' H 16.385 29.548 19.319 . . . 1.0 . . . . . . . . . . . . A . 2 DT H3' . . . . . . . . . rr_2n5o 1
. 1 . 46 . 1 1 2 DT H4' H 17.373 30.300 16.860 . . . 1.0 . . . . . . . . . . . . A . 2 DT H4' . . . . . . . . . rr_2n5o 1
. 1 . 47 . 1 1 2 DT H5' H 16.178 32.512 17.137 . . . 1.0 . . . . . . . . . . . . A . 2 DT H5' . . . . . . . . . rr_2n5o 1
. 1 . 48 . 1 1 2 DT H5'' H 15.199 31.148 17.689 . . . 1.0 . . . . . . . . . . . . A . 2 DT H5'' . . . . . . . . . rr_2n5o 1
. 1 . 49 . 1 1 2 DT H6 H 18.881 32.676 20.627 . . . 1.0 . . . . . . . . . . . . A . 2 DT H6 . . . . . . . . . rr_2n5o 1
. 1 . 50 . 1 1 2 DT H71 H 20.764 34.341 23.010 . . . 1.0 . . . . . . . . . . . . A . 2 DT H71 . . . . . . . . . rr_2n5o 1
. 1 . 51 . 1 1 2 DT H72 H 19.178 34.354 22.216 . . . 1.0 . . . . . . . . . . . . A . 2 DT H72 . . . . . . . . . rr_2n5o 1
. 1 . 52 . 1 1 2 DT H73 H 20.441 35.520 21.738 . . . 1.0 . . . . . . . . . . . . A . 2 DT H73 . . . . . . . . . rr_2n5o 1
. 1 . 53 . 1 1 2 DT N1 N 20.383 31.771 19.469 . . . 1.0 . . . . . . . . . . . . A . 2 DT N1 . . . . . . . . . rr_2n5o 1
. 1 . 54 . 1 1 2 DT N3 N 22.588 32.587 19.760 . . . 1.0 . . . . . . . . . . . . A . 2 DT N3 . . . . . . . . . rr_2n5o 1
. 1 . 55 . 1 1 2 DT O2 O 22.175 31.009 18.206 . . . 1.0 . . . . . . . . . . . . A . 2 DT O2 . . . . . . . . . rr_2n5o 1
. 1 . 56 . 1 1 2 DT O3' O 17.630 28.442 18.097 . . . 1.0 . . . . . . . . . . . . A . 2 DT O3' . . . . . . . . . rr_2n5o 1
. 1 . 57 . 1 1 2 DT O4 O 23.079 34.249 21.200 . . . 1.0 . . . . . . . . . . . . A . 2 DT O4 . . . . . . . . . rr_2n5o 1
. 1 . 58 . 1 1 2 DT O4' O 18.502 31.617 18.011 . . . 1.0 . . . . . . . . . . . . A . 2 DT O4' . . . . . . . . . rr_2n5o 1
. 1 . 59 . 1 1 2 DT O5' O 15.941 32.361 19.186 . . . 1.0 . . . . . . . . . . . . A . 2 DT O5' . . . . . . . . . rr_2n5o 1
. 1 . 60 . 1 1 2 DT OP1 O 13.640 33.196 18.649 . . . 1.0 . . . . . . . . . . . . A . 2 DT OP1 . . . . . . . . . rr_2n5o 1
. 1 . 61 . 1 1 2 DT OP2 O 14.737 33.792 20.855 . . . 1.0 . . . . . . . . . . . . A . 2 DT OP2 . . . . . . . . . rr_2n5o 1
. 1 . 62 . 1 1 2 DT P P 14.865 33.534 19.407 . . . 1.0 . . . . . . . . . . . . A . 2 DT P . . . . . . . . . rr_2n5o 1
. 1 . 63 . 1 1 3 DG C1' C 23.183 27.169 19.647 . . . 1.0 . . . . . . . . . . . . A . 3 DG C1' . . . . . . . . . rr_2n5o 1
. 1 . 64 . 1 1 3 DG C2 C 26.824 29.507 20.729 . . . 1.0 . . . . . . . . . . . . A . 3 DG C2 . . . . . . . . . rr_2n5o 1
. 1 . 65 . 1 1 3 DG C2' C 22.408 26.031 20.308 . . . 1.0 . . . . . . . . . . . . A . 3 DG C2' . . . . . . . . . rr_2n5o 1
. 1 . 66 . 1 1 3 DG C3' C 21.901 25.261 19.091 . . . 1.0 . . . . . . . . . . . . A . 3 DG C3' . . . . . . . . . rr_2n5o 1
. 1 . 67 . 1 1 3 DG C4 C 24.632 28.975 20.791 . . . 1.0 . . . . . . . . . . . . A . 3 DG C4 . . . . . . . . . rr_2n5o 1
. 1 . 68 . 1 1 3 DG C4' C 21.661 26.400 18.089 . . . 1.0 . . . . . . . . . . . . A . 3 DG C4' . . . . . . . . . rr_2n5o 1
. 1 . 69 . 1 1 3 DG C5 C 24.332 29.978 21.694 . . . 1.0 . . . . . . . . . . . . A . 3 DG C5 . . . . . . . . . rr_2n5o 1
. 1 . 70 . 1 1 3 DG C5' C 20.182 26.701 17.773 . . . 1.0 . . . . . . . . . . . . A . 3 DG C5' . . . . . . . . . rr_2n5o 1
. 1 . 71 . 1 1 3 DG C6 C 25.394 30.842 22.127 . . . 1.0 . . . . . . . . . . . . A . 3 DG C6 . . . . . . . . . rr_2n5o 1
. 1 . 72 . 1 1 3 DG C8 C 22.527 28.919 21.390 . . . 1.0 . . . . . . . . . . . . A . 3 DG C8 . . . . . . . . . rr_2n5o 1
. 1 . 73 . 1 1 3 DG H1 H 27.408 31.074 21.902 . . . 1.0 . . . . . . . . . . . . A . 3 DG H1 . . . . . . . . . rr_2n5o 1
. 1 . 74 . 1 1 3 DG H1' H 24.106 26.724 19.267 . . . 1.0 . . . . . . . . . . . . A . 3 DG H1' . . . . . . . . . rr_2n5o 1
. 1 . 75 . 1 1 3 DG H2' H 21.555 26.407 20.871 . . . 1.0 . . . . . . . . . . . . A . 3 DG H2' . . . . . . . . . rr_2n5o 1
. 1 . 76 . 1 1 3 DG H2'' H 23.048 25.426 20.947 . . . 1.0 . . . . . . . . . . . . A . 3 DG H2'' . . . . . . . . . rr_2n5o 1
. 1 . 77 . 1 1 3 DG H21 H 28.800 29.895 20.774 . . . 1.0 . . . . . . . . . . . . A . 3 DG H21 . . . . . . . . . rr_2n5o 1
. 1 . 78 . 1 1 3 DG H22 H 28.304 28.621 19.682 . . . 1.0 . . . . . . . . . . . . A . 3 DG H22 . . . . . . . . . rr_2n5o 1
. 1 . 79 . 1 1 3 DG H3' H 20.972 24.732 19.297 . . . 1.0 . . . . . . . . . . . . A . 3 DG H3' . . . . . . . . . rr_2n5o 1
. 1 . 80 . 1 1 3 DG H4' H 22.123 26.107 17.150 . . . 1.0 . . . . . . . . . . . . A . 3 DG H4' . . . . . . . . . rr_2n5o 1
. 1 . 81 . 1 1 3 DG H5' H 20.131 27.641 17.221 . . . 1.0 . . . . . . . . . . . . A . 3 DG H5' . . . . . . . . . rr_2n5o 1
. 1 . 82 . 1 1 3 DG H5'' H 19.810 25.909 17.123 . . . 1.0 . . . . . . . . . . . . A . 3 DG H5'' . . . . . . . . . rr_2n5o 1
. 1 . 83 . 1 1 3 DG H8 H 21.511 28.572 21.458 . . . 1.0 . . . . . . . . . . . . A . 3 DG H8 . . . . . . . . . rr_2n5o 1
. 1 . 84 . 1 1 3 DG N1 N 26.622 30.512 21.609 . . . 1.0 . . . . . . . . . . . . A . 3 DG N1 . . . . . . . . . rr_2n5o 1
. 1 . 85 . 1 1 3 DG N2 N 28.062 29.332 20.362 . . . 1.0 . . . . . . . . . . . . A . 3 DG N2 . . . . . . . . . rr_2n5o 1
. 1 . 86 . 1 1 3 DG N3 N 25.868 28.700 20.255 . . . 1.0 . . . . . . . . . . . . A . 3 DG N3 . . . . . . . . . rr_2n5o 1
. 1 . 87 . 1 1 3 DG N7 N 22.979 29.939 22.063 . . . 1.0 . . . . . . . . . . . . A . 3 DG N7 . . . . . . . . . rr_2n5o 1
. 1 . 88 . 1 1 3 DG N9 N 23.440 28.311 20.564 . . . 1.0 . . . . . . . . . . . . A . 3 DG N9 . . . . . . . . . rr_2n5o 1
. 1 . 89 . 1 1 3 DG O3' O 22.885 24.382 18.555 . . . 1.0 . . . . . . . . . . . . A . 3 DG O3' . . . . . . . . . rr_2n5o 1
. 1 . 90 . 1 1 3 DG O4' O 22.340 27.562 18.572 . . . 1.0 . . . . . . . . . . . . A . 3 DG O4' . . . . . . . . . rr_2n5o 1
. 1 . 91 . 1 1 3 DG O5' O 19.348 26.783 18.924 . . . 1.0 . . . . . . . . . . . . A . 3 DG O5' . . . . . . . . . rr_2n5o 1
. 1 . 92 . 1 1 3 DG O6 O 25.351 31.802 22.892 . . . 1.0 . . . . . . . . . . . . A . 3 DG O6 . . . . . . . . . rr_2n5o 1
. 1 . 93 . 1 1 3 DG OP1 O 17.205 25.994 17.884 . . . 1.0 . . . . . . . . . . . . A . 3 DG OP1 . . . . . . . . . rr_2n5o 1
. 1 . 94 . 1 1 3 DG OP2 O 17.231 27.075 20.186 . . . 1.0 . . . . . . . . . . . . A . 3 DG OP2 . . . . . . . . . rr_2n5o 1
. 1 . 95 . 1 1 3 DG P P 17.767 27.005 18.808 . . . 1.0 . . . . . . . . . . . . A . 3 DG P . . . . . . . . . rr_2n5o 1
. 1 . 96 . 1 1 4 DG C1' C 27.930 24.592 20.733 . . . 1.0 . . . . . . . . . . . . A . 4 DG C1' . . . . . . . . . rr_2n5o 1
. 1 . 97 . 1 1 4 DG C2 C 28.912 27.811 23.486 . . . 1.0 . . . . . . . . . . . . A . 4 DG C2 . . . . . . . . . rr_2n5o 1
. 1 . 98 . 1 1 4 DG C2' C 28.100 23.082 20.956 . . . 1.0 . . . . . . . . . . . . A . 4 DG C2' . . . . . . . . . rr_2n5o 1
. 1 . 99 . 1 1 4 DG C3' C 27.750 22.446 19.617 . . . 1.0 . . . . . . . . . . . . A . 4 DG C3' . . . . . . . . . rr_2n5o 1
. 1 . 100 . 1 1 4 DG C4 C 27.521 26.355 22.516 . . . 1.0 . . . . . . . . . . . . A . 4 DG C4 . . . . . . . . . rr_2n5o 1
. 1 . 101 . 1 1 4 DG C4' C 27.198 23.601 18.792 . . . 1.0 . . . . . . . . . . . . A . 4 DG C4' . . . . . . . . . rr_2n5o 1
. 1 . 102 . 1 1 4 DG C5 C 26.392 26.860 23.132 . . . 1.0 . . . . . . . . . . . . A . 4 DG C5 . . . . . . . . . rr_2n5o 1
. 1 . 103 . 1 1 4 DG C5' C 25.749 23.382 18.346 . . . 1.0 . . . . . . . . . . . . A . 4 DG C5' . . . . . . . . . rr_2n5o 1
. 1 . 104 . 1 1 4 DG C6 C 26.565 27.976 24.027 . . . 1.0 . . . . . . . . . . . . A . 4 DG C6 . . . . . . . . . rr_2n5o 1
. 1 . 105 . 1 1 4 DG C8 C 25.750 25.212 21.950 . . . 1.0 . . . . . . . . . . . . A . 4 DG C8 . . . . . . . . . rr_2n5o 1
. 1 . 106 . 1 1 4 DG H1 H 28.093 29.049 24.876 . . . 1.0 . . . . . . . . . . . . A . 4 DG H1 . . . . . . . . . rr_2n5o 1
. 1 . 107 . 1 1 4 DG H1' H 28.914 25.033 20.696 . . . 1.0 . . . . . . . . . . . . A . 4 DG H1' . . . . . . . . . rr_2n5o 1
. 1 . 108 . 1 1 4 DG H2' H 27.410 22.720 21.717 . . . 1.0 . . . . . . . . . . . . A . 4 DG H2' . . . . . . . . . rr_2n5o 1
. 1 . 109 . 1 1 4 DG H2'' H 29.147 22.847 21.217 . . . 1.0 . . . . . . . . . . . . A . 4 DG H2'' . . . . . . . . . rr_2n5o 1
. 1 . 110 . 1 1 4 DG H21 H 30.203 29.112 24.293 . . . 1.0 . . . . . . . . . . . . A . 4 DG H21 . . . . . . . . . rr_2n5o 1
. 1 . 111 . 1 1 4 DG H22 H 30.850 28.037 23.059 . . . 1.0 . . . . . . . . . . . . A . 4 DG H22 . . . . . . . . . rr_2n5o 1
. 1 . 112 . 1 1 4 DG H3' H 26.962 21.707 19.736 . . . 1.0 . . . . . . . . . . . . A . 4 DG H3' . . . . . . . . . rr_2n5o 1
. 1 . 113 . 1 1 4 DG H4' H 27.861 23.663 17.940 . . . 1.0 . . . . . . . . . . . . A . 4 DG H4' . . . . . . . . . rr_2n5o 1
. 1 . 114 . 1 1 4 DG H5' H 25.432 24.242 17.756 . . . 1.0 . . . . . . . . . . . . A . 4 DG H5' . . . . . . . . . rr_2n5o 1
. 1 . 115 . 1 1 4 DG H5'' H 25.708 22.491 17.718 . . . 1.0 . . . . . . . . . . . . A . 4 DG H5'' . . . . . . . . . rr_2n5o 1
. 1 . 116 . 1 1 4 DG H8 H 25.240 24.367 21.514 . . . 1.0 . . . . . . . . . . . . A . 4 DG H8 . . . . . . . . . rr_2n5o 1
. 1 . 117 . 1 1 4 DG N1 N 27.886 28.350 24.184 . . . 1.0 . . . . . . . . . . . . A . 4 DG N1 . . . . . . . . . rr_2n5o 1
. 1 . 118 . 1 1 4 DG N2 N 30.092 28.337 23.655 . . . 1.0 . . . . . . . . . . . . A . 4 DG N2 . . . . . . . . . rr_2n5o 1
. 1 . 119 . 1 1 4 DG N3 N 28.811 26.793 22.637 . . . 1.0 . . . . . . . . . . . . A . 4 DG N3 . . . . . . . . . rr_2n5o 1
. 1 . 120 . 1 1 4 DG N7 N 25.256 26.115 22.758 . . . 1.0 . . . . . . . . . . . . A . 4 DG N7 . . . . . . . . . rr_2n5o 1
. 1 . 121 . 1 1 4 DG N9 N 27.099 25.317 21.727 . . . 1.0 . . . . . . . . . . . . A . 4 DG N9 . . . . . . . . . rr_2n5o 1
. 1 . 122 . 1 1 4 DG O3' O 28.863 21.875 18.939 . . . 1.0 . . . . . . . . . . . . A . 4 DG O3' . . . . . . . . . rr_2n5o 1
. 1 . 123 . 1 1 4 DG O4' O 27.315 24.820 19.488 . . . 1.0 . . . . . . . . . . . . A . 4 DG O4' . . . . . . . . . rr_2n5o 1
. 1 . 124 . 1 1 4 DG O5' O 24.870 23.216 19.452 . . . 1.0 . . . . . . . . . . . . A . 4 DG O5' . . . . . . . . . rr_2n5o 1
. 1 . 125 . 1 1 4 DG O6 O 25.722 28.631 24.647 . . . 1.0 . . . . . . . . . . . . A . 4 DG O6 . . . . . . . . . rr_2n5o 1
. 1 . 126 . 1 1 4 DG OP1 O 23.145 21.933 18.197 . . . 1.0 . . . . . . . . . . . . A . 4 DG OP1 . . . . . . . . . rr_2n5o 1
. 1 . 127 . 1 1 4 DG OP2 O 22.659 22.830 20.542 . . . 1.0 . . . . . . . . . . . . A . 4 DG OP2 . . . . . . . . . rr_2n5o 1
. 1 . 128 . 1 1 4 DG P P 23.310 22.989 19.222 . . . 1.0 . . . . . . . . . . . . A . 4 DG P . . . . . . . . . rr_2n5o 1
. 1 . 129 . 1 1 5 . C1' C 31.604 22.390 23.611 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C1' . . . . . . . . . rr_2n5o 1
. 1 . 130 . 1 1 5 . C2 C 26.172 23.757 25.090 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C2 . . . . . . . . . rr_2n5o 1
. 1 . 131 . 1 1 5 . C2' C 31.724 20.867 23.581 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C2' . . . . . . . . . rr_2n5o 1
. 1 . 132 . 1 1 5 . C3' C 32.686 20.590 22.428 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C3' . . . . . . . . . rr_2n5o 1
. 1 . 133 . 1 1 5 . C4 C 28.151 23.028 24.475 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C4 . . . . . . . . . rr_2n5o 1
. 1 . 134 . 1 1 5 . C4' C 32.463 21.836 21.558 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C4' . . . . . . . . . rr_2n5o 1
. 1 . 135 . 1 1 5 . C5 C 28.764 24.069 25.062 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C5 . . . . . . . . . rr_2n5o 1
. 1 . 136 . 1 1 5 . C5' C 31.741 21.536 20.236 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C5' . . . . . . . . . rr_2n5o 1
. 1 . 137 . 1 1 5 . C6 C 27.987 25.005 25.717 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C6 . . . . . . . . . rr_2n5o 1
. 1 . 138 . 1 1 5 . C7 C 30.167 23.978 24.903 . . . 1.0 . . . . . . . . . . . . A . 5 4EN C7 . . . . . . . . . rr_2n5o 1
. 1 . 139 . 1 1 5 . H1' H 32.394 22.750 24.271 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H1' . . . . . . . . . rr_2n5o 1
. 1 . 140 . 1 1 5 . H2 H 25.094 23.662 25.113 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H2 . . . . . . . . . rr_2n5o 1
. 1 . 141 . 1 1 5 . H2'1 H 30.768 20.417 23.340 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H2'1 . . . . . . . . . rr_2n5o 1
. 1 . 142 . 1 1 5 . H2'2 H 32.073 20.482 24.536 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H2'2 . . . . . . . . . rr_2n5o 1
. 1 . 143 . 1 1 5 . H3' H 32.377 19.683 21.903 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H3' . . . . . . . . . rr_2n5o 1
. 1 . 144 . 1 1 5 . H4' H 33.436 22.282 21.389 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H4' . . . . . . . . . rr_2n5o 1
. 1 . 145 . 1 1 5 . H5'1 H 32.410 20.973 19.588 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H5'1 . . . . . . . . . rr_2n5o 1
. 1 . 146 . 1 1 5 . H5'2 H 31.491 22.480 19.747 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H5'2 . . . . . . . . . rr_2n5o 1
. 1 . 147 . 1 1 5 . H61 H 29.357 26.386 26.327 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H61 . . . . . . . . . rr_2n5o 1
. 1 . 148 . 1 1 5 . H62 H 27.659 26.654 26.729 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H62 . . . . . . . . . rr_2n5o 1
. 1 . 149 . 1 1 5 . H7 H 30.998 24.583 25.258 . . . 1.0 . . . . . . . . . . . . A . 5 4EN H7 . . . . . . . . . rr_2n5o 1
. 1 . 150 . 1 1 5 . N1 N 26.668 24.824 25.715 . . . 1.0 . . . . . . . . . . . . A . 5 4EN N1 . . . . . . . . . rr_2n5o 1
. 1 . 151 . 1 1 5 . N3 N 26.822 22.804 24.432 . . . 1.0 . . . . . . . . . . . . A . 5 4EN N3 . . . . . . . . . rr_2n5o 1
. 1 . 152 . 1 1 5 . N6 N 28.390 26.075 26.334 . . . 1.0 . . . . . . . . . . . . A . 5 4EN N6 . . . . . . . . . rr_2n5o 1
. 1 . 153 . 1 1 5 . N8 N 30.327 22.861 24.144 . . . 1.0 . . . . . . . . . . . . A . 5 4EN N8 . . . . . . . . . rr_2n5o 1
. 1 . 154 . 1 1 5 . N9 N 29.135 22.246 23.871 . . . 1.0 . . . . . . . . . . . . A . 5 4EN N9 . . . . . . . . . rr_2n5o 1
. 1 . 155 . 1 1 5 . O1P O 30.185 19.942 18.145 . . . 1.0 . . . . . . . . . . . . A . 5 4EN O1P . . . . . . . . . rr_2n5o 1
. 1 . 156 . 1 1 5 . O2P O 28.421 19.649 19.965 . . . 1.0 . . . . . . . . . . . . A . 5 4EN O2P . . . . . . . . . rr_2n5o 1
. 1 . 157 . 1 1 5 . O3' O 34.077 20.509 22.748 . . . 1.0 . . . . . . . . . . . . A . 5 4EN O3' . . . . . . . . . rr_2n5o 1
. 1 . 158 . 1 1 5 . O4' O 31.722 22.808 22.272 . . . 1.0 . . . . . . . . . . . . A . 5 4EN O4' . . . . . . . . . rr_2n5o 1
. 1 . 159 . 1 1 5 . O5' O 30.555 20.786 20.482 . . . 1.0 . . . . . . . . . . . . A . 5 4EN O5' . . . . . . . . . rr_2n5o 1
. 1 . 160 . 1 1 5 . P P 29.488 20.467 19.343 . . . 1.0 . . . . . . . . . . . . A . 5 4EN P . . . . . . . . . rr_2n5o 1
. 1 . 161 . 1 1 6 DG C1' C 32.894 23.099 27.670 . . . 1.0 . . . . . . . . . . . . A . 6 DG C1' . . . . . . . . . rr_2n5o 1
. 1 . 162 . 1 1 6 DG C2 C 29.645 25.488 29.485 . . . 1.0 . . . . . . . . . . . . A . 6 DG C2 . . . . . . . . . rr_2n5o 1
. 1 . 163 . 1 1 6 DG C2' C 33.660 21.879 28.175 . . . 1.0 . . . . . . . . . . . . A . 6 DG C2' . . . . . . . . . rr_2n5o 1
. 1 . 164 . 1 1 6 DG C3' C 35.054 22.105 27.628 . . . 1.0 . . . . . . . . . . . . A . 6 DG C3' . . . . . . . . . rr_2n5o 1
. 1 . 165 . 1 1 6 DG C4 C 30.508 23.759 28.322 . . . 1.0 . . . . . . . . . . . . A . 6 DG C4 . . . . . . . . . rr_2n5o 1
. 1 . 166 . 1 1 6 DG C4' C 34.748 22.840 26.326 . . . 1.0 . . . . . . . . . . . . A . 6 DG C4' . . . . . . . . . rr_2n5o 1
. 1 . 167 . 1 1 6 DG C5 C 29.281 23.144 28.183 . . . 1.0 . . . . . . . . . . . . A . 6 DG C5 . . . . . . . . . rr_2n5o 1
. 1 . 168 . 1 1 6 DG C5' C 35.062 21.982 25.095 . . . 1.0 . . . . . . . . . . . . A . 6 DG C5' . . . . . . . . . rr_2n5o 1
. 1 . 169 . 1 1 6 DG C6 C 28.117 23.788 28.729 . . . 1.0 . . . . . . . . . . . . A . 6 DG C6 . . . . . . . . . rr_2n5o 1
. 1 . 170 . 1 1 6 DG C8 C 30.699 21.820 27.308 . . . 1.0 . . . . . . . . . . . . A . 6 DG C8 . . . . . . . . . rr_2n5o 1
. 1 . 171 . 1 1 6 DG H1 H 27.631 25.419 29.847 . . . 1.0 . . . . . . . . . . . . A . 6 DG H1 . . . . . . . . . rr_2n5o 1
. 1 . 172 . 1 1 6 DG H1' H 33.208 23.903 28.332 . . . 1.0 . . . . . . . . . . . . A . 6 DG H1' . . . . . . . . . rr_2n5o 1
. 1 . 173 . 1 1 6 DG H2' H 33.257 20.956 27.762 . . . 1.0 . . . . . . . . . . . . A . 6 DG H2' . . . . . . . . . rr_2n5o 1
. 1 . 174 . 1 1 6 DG H2'' H 33.708 21.854 29.254 . . . 1.0 . . . . . . . . . . . . A . 6 DG H2'' . . . . . . . . . rr_2n5o 1
. 1 . 175 . 1 1 6 DG H21 H 28.933 26.926 30.695 . . . 1.0 . . . . . . . . . . . . A . 6 DG H21 . . . . . . . . . rr_2n5o 1
. 1 . 176 . 1 1 6 DG H22 H 30.652 27.008 30.324 . . . 1.0 . . . . . . . . . . . . A . 6 DG H22 . . . . . . . . . rr_2n5o 1
. 1 . 177 . 1 1 6 DG H3' H 35.540 21.159 27.423 . . . 1.0 . . . . . . . . . . . . A . 6 DG H3' . . . . . . . . . rr_2n5o 1
. 1 . 178 . 1 1 6 DG H4' H 35.383 23.716 26.316 . . . 1.0 . . . . . . . . . . . . A . 6 DG H4' . . . . . . . . . rr_2n5o 1
. 1 . 179 . 1 1 6 DG H5' H 34.713 22.513 24.208 . . . 1.0 . . . . . . . . . . . . A . 6 DG H5' . . . . . . . . . rr_2n5o 1
. 1 . 180 . 1 1 6 DG H5'' H 36.144 21.874 25.021 . . . 1.0 . . . . . . . . . . . . A . 6 DG H5'' . . . . . . . . . rr_2n5o 1
. 1 . 181 . 1 1 6 DG H8 H 31.086 20.905 26.873 . . . 1.0 . . . . . . . . . . . . A . 6 DG H8 . . . . . . . . . rr_2n5o 1
. 1 . 182 . 1 1 6 DG N1 N 28.405 24.954 29.399 . . . 1.0 . . . . . . . . . . . . A . 6 DG N1 . . . . . . . . . rr_2n5o 1
. 1 . 183 . 1 1 6 DG N2 N 29.752 26.568 30.211 . . . 1.0 . . . . . . . . . . . . A . 6 DG N2 . . . . . . . . . rr_2n5o 1
. 1 . 184 . 1 1 6 DG N3 N 30.753 24.952 28.960 . . . 1.0 . . . . . . . . . . . . A . 6 DG N3 . . . . . . . . . rr_2n5o 1
. 1 . 185 . 1 1 6 DG N7 N 29.420 21.914 27.537 . . . 1.0 . . . . . . . . . . . . A . 6 DG N7 . . . . . . . . . rr_2n5o 1
. 1 . 186 . 1 1 6 DG N9 N 31.428 22.909 27.726 . . . 1.0 . . . . . . . . . . . . A . 6 DG N9 . . . . . . . . . rr_2n5o 1
. 1 . 187 . 1 1 6 DG O3' O 35.868 22.902 28.483 . . . 1.0 . . . . . . . . . . . . A . 6 DG O3' . . . . . . . . . rr_2n5o 1
. 1 . 188 . 1 1 6 DG O4' O 33.384 23.270 26.354 . . . 1.0 . . . . . . . . . . . . A . 6 DG O4' . . . . . . . . . rr_2n5o 1
. 1 . 189 . 1 1 6 DG O5' O 34.471 20.684 25.161 . . . 1.0 . . . . . . . . . . . . A . 6 DG O5' . . . . . . . . . rr_2n5o 1
. 1 . 190 . 1 1 6 DG O6 O 26.937 23.434 28.690 . . . 1.0 . . . . . . . . . . . . A . 6 DG O6 . . . . . . . . . rr_2n5o 1
. 1 . 191 . 1 1 6 DG OP1 O 36.109 19.446 23.748 . . . 1.0 . . . . . . . . . . . . A . 6 DG OP1 . . . . . . . . . rr_2n5o 1
. 1 . 192 . 1 1 6 DG OP2 O 33.795 18.470 24.185 . . . 1.0 . . . . . . . . . . . . A . 6 DG OP2 . . . . . . . . . rr_2n5o 1
. 1 . 193 . 1 1 6 DG P P 34.660 19.651 23.965 . . . 1.0 . . . . . . . . . . . . A . 6 DG P . . . . . . . . . rr_2n5o 1
. 1 . 194 . 1 1 7 DC C1' C 32.535 25.101 32.350 . . . 1.0 . . . . . . . . . . . . A . 7 DC C1' . . . . . . . . . rr_2n5o 1
. 1 . 195 . 1 1 7 DC C2 C 30.230 24.149 32.458 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2 . . . . . . . . . rr_2n5o 1
. 1 . 196 . 1 1 7 DC C2' C 33.224 24.756 33.651 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2' . . . . . . . . . rr_2n5o 1
. 1 . 197 . 1 1 7 DC C3' C 34.731 24.769 33.419 . . . 1.0 . . . . . . . . . . . . A . 7 DC C3' . . . . . . . . . rr_2n5o 1
. 1 . 198 . 1 1 7 DC C4 C 29.719 22.184 31.384 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4 . . . . . . . . . rr_2n5o 1
. 1 . 199 . 1 1 7 DC C4' C 34.803 25.285 31.980 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4' . . . . . . . . . rr_2n5o 1
. 1 . 200 . 1 1 7 DC C5 C 31.077 21.922 31.082 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5 . . . . . . . . . rr_2n5o 1
. 1 . 201 . 1 1 7 DC C5' C 35.876 24.608 31.134 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5' . . . . . . . . . rr_2n5o 1
. 1 . 202 . 1 1 7 DC C6 C 31.984 22.853 31.482 . . . 1.0 . . . . . . . . . . . . A . 7 DC C6 . . . . . . . . . rr_2n5o 1
. 1 . 203 . 1 1 7 DC H1' H 32.014 26.050 32.254 . . . 1.0 . . . . . . . . . . . . A . 7 DC H1' . . . . . . . . . rr_2n5o 1
. 1 . 204 . 1 1 7 DC H2' H 32.953 23.738 33.857 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2' . . . . . . . . . rr_2n5o 1
. 1 . 205 . 1 1 7 DC H2'' H 32.893 25.429 34.427 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2'' . . . . . . . . . rr_2n5o 1
. 1 . 206 . 1 1 7 DC H3' H 35.108 23.739 33.479 . . . 1.0 . . . . . . . . . . . . A . 7 DC H3' . . . . . . . . . rr_2n5o 1
. 1 . 207 . 1 1 7 DC H4' H 35.018 26.352 32.028 . . . 1.0 . . . . . . . . . . . . A . 7 DC H4' . . . . . . . . . rr_2n5o 1
. 1 . 208 . 1 1 7 DC H41 H 27.832 21.612 31.146 . . . 1.0 . . . . . . . . . . . . A . 7 DC H41 . . . . . . . . . rr_2n5o 1
. 1 . 209 . 1 1 7 DC H42 H 29.057 20.612 30.350 . . . 1.0 . . . . . . . . . . . . A . 7 DC H42 . . . . . . . . . rr_2n5o 1
. 1 . 210 . 1 1 7 DC H5 H 31.359 21.044 30.516 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5 . . . . . . . . . rr_2n5o 1
. 1 . 211 . 1 1 7 DC H5' H 35.917 25.115 30.169 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5' . . . . . . . . . rr_2n5o 1
. 1 . 212 . 1 1 7 DC H5'' H 36.838 24.716 31.636 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5'' . . . . . . . . . rr_2n5o 1
. 1 . 213 . 1 1 7 DC H6 H 33.056 22.758 31.364 . . . 1.0 . . . . . . . . . . . . A . 7 DC H6 . . . . . . . . . rr_2n5o 1
. 1 . 214 . 1 1 7 DC N1 N 31.557 24.018 32.055 . . . 1.0 . . . . . . . . . . . . A . 7 DC N1 . . . . . . . . . rr_2n5o 1
. 1 . 215 . 1 1 7 DC N3 N 29.313 23.228 32.079 . . . 1.0 . . . . . . . . . . . . A . 7 DC N3 . . . . . . . . . rr_2n5o 1
. 1 . 216 . 1 1 7 DC N4 N 28.796 21.388 30.942 . . . 1.0 . . . . . . . . . . . . A . 7 DC N4 . . . . . . . . . rr_2n5o 1
. 1 . 217 . 1 1 7 DC O2 O 29.862 25.079 33.178 . . . 1.0 . . . . . . . . . . . . A . 7 DC O2 . . . . . . . . . rr_2n5o 1
. 1 . 218 . 1 1 7 DC O3' O 35.436 25.643 34.293 . . . 1.0 . . . . . . . . . . . . A . 7 DC O3' . . . . . . . . . rr_2n5o 1
. 1 . 219 . 1 1 7 DC O4' O 33.540 25.118 31.359 . . . 1.0 . . . . . . . . . . . . A . 7 DC O4' . . . . . . . . . rr_2n5o 1
. 1 . 220 . 1 1 7 DC O5' O 35.594 23.230 30.936 . . . 1.0 . . . . . . . . . . . . A . 7 DC O5' . . . . . . . . . rr_2n5o 1
. 1 . 221 . 1 1 7 DC OP1 O 37.848 22.803 29.964 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP1 . . . . . . . . . rr_2n5o 1
. 1 . 222 . 1 1 7 DC OP2 O 36.089 20.950 30.087 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP2 . . . . . . . . . rr_2n5o 1
. 1 . 223 . 1 1 7 DC P P 36.431 22.380 29.892 . . . 1.0 . . . . . . . . . . . . A . 7 DC P . . . . . . . . . rr_2n5o 1
. 1 . 224 . 1 1 8 DT C1' C 31.150 24.116 37.625 . . . 1.0 . . . . . . . . . . . . A . 8 DT C1' . . . . . . . . . rr_2n5o 1
. 1 . 225 . 1 1 8 DT C2 C 29.551 22.770 36.293 . . . 1.0 . . . . . . . . . . . . A . 8 DT C2 . . . . . . . . . rr_2n5o 1
. 1 . 226 . 1 1 8 DT C2' C 32.210 23.726 38.657 . . . 1.0 . . . . . . . . . . . . A . 8 DT C2' . . . . . . . . . rr_2n5o 1
. 1 . 227 . 1 1 8 DT C3' C 32.902 25.041 38.981 . . . 1.0 . . . . . . . . . . . . A . 8 DT C3' . . . . . . . . . rr_2n5o 1
. 1 . 228 . 1 1 8 DT C4 C 30.314 21.032 34.737 . . . 1.0 . . . . . . . . . . . . A . 8 DT C4 . . . . . . . . . rr_2n5o 1
. 1 . 229 . 1 1 8 DT C4' C 32.502 25.950 37.811 . . . 1.0 . . . . . . . . . . . . A . 8 DT C4' . . . . . . . . . rr_2n5o 1
. 1 . 230 . 1 1 8 DT C5 C 31.687 21.382 35.099 . . . 1.0 . . . . . . . . . . . . A . 8 DT C5 . . . . . . . . . rr_2n5o 1
. 1 . 231 . 1 1 8 DT C5' C 33.736 26.358 37.001 . . . 1.0 . . . . . . . . . . . . A . 8 DT C5' . . . . . . . . . rr_2n5o 1
. 1 . 232 . 1 1 8 DT C6 C 31.925 22.382 35.987 . . . 1.0 . . . . . . . . . . . . A . 8 DT C6 . . . . . . . . . rr_2n5o 1
. 1 . 233 . 1 1 8 DT C7 C 32.871 20.618 34.511 . . . 1.0 . . . . . . . . . . . . A . 8 DT C7 . . . . . . . . . rr_2n5o 1
. 1 . 234 . 1 1 8 DT H1' H 30.253 24.318 38.214 . . . 1.0 . . . . . . . . . . . . A . 8 DT H1' . . . . . . . . . rr_2n5o 1
. 1 . 235 . 1 1 8 DT H2' H 32.948 23.037 38.261 . . . 1.0 . . . . . . . . . . . . A . 8 DT H2' . . . . . . . . . rr_2n5o 1
. 1 . 236 . 1 1 8 DT H2'' H 31.737 23.280 39.530 . . . 1.0 . . . . . . . . . . . . A . 8 DT H2'' . . . . . . . . . rr_2n5o 1
. 1 . 237 . 1 1 8 DT H3 H 28.370 21.553 35.153 . . . 1.0 . . . . . . . . . . . . A . 8 DT H3 . . . . . . . . . rr_2n5o 1
. 1 . 238 . 1 1 8 DT H3' H 33.987 24.902 39.005 . . . 1.0 . . . . . . . . . . . . A . 8 DT H3' . . . . . . . . . rr_2n5o 1
. 1 . 239 . 1 1 8 DT H4' H 31.988 26.817 38.218 . . . 1.0 . . . . . . . . . . . . A . 8 DT H4' . . . . . . . . . rr_2n5o 1
. 1 . 240 . 1 1 8 DT H5' H 33.434 26.948 36.137 . . . 1.0 . . . . . . . . . . . . A . 8 DT H5' . . . . . . . . . rr_2n5o 1
. 1 . 241 . 1 1 8 DT H5'' H 34.381 26.966 37.635 . . . 1.0 . . . . . . . . . . . . A . 8 DT H5'' . . . . . . . . . rr_2n5o 1
. 1 . 242 . 1 1 8 DT H6 H 32.952 22.612 36.241 . . . 1.0 . . . . . . . . . . . . A . 8 DT H6 . . . . . . . . . rr_2n5o 1
. 1 . 243 . 1 1 8 DT H71 H 32.812 20.601 33.426 . . . 1.0 . . . . . . . . . . . . A . 8 DT H71 . . . . . . . . . rr_2n5o 1
. 1 . 244 . 1 1 8 DT H72 H 32.827 19.581 34.838 . . . 1.0 . . . . . . . . . . . . A . 8 DT H72 . . . . . . . . . rr_2n5o 1
. 1 . 245 . 1 1 8 DT H73 H 33.833 21.049 34.811 . . . 1.0 . . . . . . . . . . . . A . 8 DT H73 . . . . . . . . . rr_2n5o 1
. 1 . 246 . 1 1 8 DT N1 N 30.887 23.063 36.601 . . . 1.0 . . . . . . . . . . . . A . 8 DT N1 . . . . . . . . . rr_2n5o 1
. 1 . 247 . 1 1 8 DT N3 N 29.333 21.774 35.368 . . . 1.0 . . . . . . . . . . . . A . 8 DT N3 . . . . . . . . . rr_2n5o 1
. 1 . 248 . 1 1 8 DT O2 O 28.590 23.343 36.814 . . . 1.0 . . . . . . . . . . . . A . 8 DT O2 . . . . . . . . . rr_2n5o 1
. 1 . 249 . 1 1 8 DT O3' O 32.459 25.616 40.193 . . . 1.0 . . . . . . . . . . . . A . 8 DT O3' . . . . . . . . . rr_2n5o 1
. 1 . 250 . 1 1 8 DT O4 O 29.978 20.165 33.935 . . . 1.0 . . . . . . . . . . . . A . 8 DT O4 . . . . . . . . . rr_2n5o 1
. 1 . 251 . 1 1 8 DT O4' O 31.584 25.281 36.964 . . . 1.0 . . . . . . . . . . . . A . 8 DT O4' . . . . . . . . . rr_2n5o 1
. 1 . 252 . 1 1 8 DT O5' O 34.429 25.188 36.585 . . . 1.0 . . . . . . . . . . . . A . 8 DT O5' . . . . . . . . . rr_2n5o 1
. 1 . 253 . 1 1 8 DT OP1 O 36.594 26.380 36.339 . . . 1.0 . . . . . . . . . . . . A . 8 DT OP1 . . . . . . . . . rr_2n5o 1
. 1 . 254 . 1 1 8 DT OP2 O 36.415 23.905 35.831 . . . 1.0 . . . . . . . . . . . . A . 8 DT OP2 . . . . . . . . . rr_2n5o 1
. 1 . 255 . 1 1 8 DT P P 35.807 25.254 35.799 . . . 1.0 . . . . . . . . . . . . A . 8 DT P . . . . . . . . . rr_2n5o 1
. 1 . 256 . 1 1 9 DC C1' C 28.641 21.584 40.720 . . . 1.0 . . . . . . . . . . . . A . 9 DC C1' . . . . . . . . . rr_2n5o 1
. 1 . 257 . 1 1 9 DC C2 C 28.414 20.004 38.794 . . . 1.0 . . . . . . . . . . . . A . 9 DC C2 . . . . . . . . . rr_2n5o 1
. 1 . 258 . 1 1 9 DC C2' C 28.856 21.128 42.170 . . . 1.0 . . . . . . . . . . . . A . 9 DC C2' . . . . . . . . . rr_2n5o 1
. 1 . 259 . 1 1 9 DC C3' C 29.636 22.267 42.818 . . . 1.0 . . . . . . . . . . . . A . 9 DC C3' . . . . . . . . . rr_2n5o 1
. 1 . 260 . 1 1 9 DC C4 C 30.240 19.098 37.752 . . . 1.0 . . . . . . . . . . . . A . 9 DC C4 . . . . . . . . . rr_2n5o 1
. 1 . 261 . 1 1 9 DC C4' C 29.279 23.447 41.905 . . . 1.0 . . . . . . . . . . . . A . 9 DC C4' . . . . . . . . . rr_2n5o 1
. 1 . 262 . 1 1 9 DC C5 C 31.138 19.715 38.666 . . . 1.0 . . . . . . . . . . . . A . 9 DC C5 . . . . . . . . . rr_2n5o 1
. 1 . 263 . 1 1 9 DC C5' C 30.275 24.613 41.943 . . . 1.0 . . . . . . . . . . . . A . 9 DC C5' . . . . . . . . . rr_2n5o 1
. 1 . 264 . 1 1 9 DC C6 C 30.603 20.508 39.629 . . . 1.0 . . . . . . . . . . . . A . 9 DC C6 . . . . . . . . . rr_2n5o 1
. 1 . 265 . 1 1 9 DC H1' H 27.565 21.662 40.549 . . . 1.0 . . . . . . . . . . . . A . 9 DC H1' . . . . . . . . . rr_2n5o 1
. 1 . 266 . 1 1 9 DC H2' H 29.411 20.190 42.234 . . . 1.0 . . . . . . . . . . . . A . 9 DC H2' . . . . . . . . . rr_2n5o 1
. 1 . 267 . 1 1 9 DC H2'' H 27.885 21.021 42.650 . . . 1.0 . . . . . . . . . . . . A . 9 DC H2'' . . . . . . . . . rr_2n5o 1
. 1 . 268 . 1 1 9 DC H3' H 30.703 22.047 42.749 . . . 1.0 . . . . . . . . . . . . A . 9 DC H3' . . . . . . . . . rr_2n5o 1
. 1 . 269 . 1 1 9 DC H4' H 28.292 23.827 42.181 . . . 1.0 . . . . . . . . . . . . A . 9 DC H4' . . . . . . . . . rr_2n5o 1
. 1 . 270 . 1 1 9 DC H41 H 29.979 18.024 36.111 . . . 1.0 . . . . . . . . . . . . A . 9 DC H41 . . . . . . . . . rr_2n5o 1
. 1 . 271 . 1 1 9 DC H42 H 31.657 18.162 36.658 . . . 1.0 . . . . . . . . . . . . A . 9 DC H42 . . . . . . . . . rr_2n5o 1
. 1 . 272 . 1 1 9 DC H5 H 32.201 19.549 38.605 . . . 1.0 . . . . . . . . . . . . A . 9 DC H5 . . . . . . . . . rr_2n5o 1
. 1 . 273 . 1 1 9 DC H5' H 30.116 25.221 41.051 . . . 1.0 . . . . . . . . . . . . A . 9 DC H5' . . . . . . . . . rr_2n5o 1
. 1 . 274 . 1 1 9 DC H5'' H 30.079 25.236 42.816 . . . 1.0 . . . . . . . . . . . . A . 9 DC H5'' . . . . . . . . . rr_2n5o 1
. 1 . 275 . 1 1 9 DC H6 H 31.221 21.049 40.336 . . . 1.0 . . . . . . . . . . . . A . 9 DC H6 . . . . . . . . . rr_2n5o 1
. 1 . 276 . 1 1 9 DC HO3' H 29.819 23.184 44.536 . . . 1.0 . . . . . . . . . . . . A . 9 DC HO3' . . . . . . . . . rr_2n5o 1
. 1 . 277 . 1 1 9 DC N1 N 29.244 20.675 39.702 . . . 1.0 . . . . . . . . . . . . A . 9 DC N1 . . . . . . . . . rr_2n5o 1
. 1 . 278 . 1 1 9 DC N3 N 28.935 19.250 37.801 . . . 1.0 . . . . . . . . . . . . A . 9 DC N3 . . . . . . . . . rr_2n5o 1
. 1 . 279 . 1 1 9 DC N4 N 30.670 18.376 36.760 . . . 1.0 . . . . . . . . . . . . A . 9 DC N4 . . . . . . . . . rr_2n5o 1
. 1 . 280 . 1 1 9 DC O2 O 27.187 20.092 38.851 . . . 1.0 . . . . . . . . . . . . A . 9 DC O2 . . . . . . . . . rr_2n5o 1
. 1 . 281 . 1 1 9 DC O3' O 29.249 22.471 44.169 . . . 1.0 . . . . . . . . . . . . A . 9 DC O3' . . . . . . . . . rr_2n5o 1
. 1 . 282 . 1 1 9 DC O4' O 29.220 22.875 40.606 . . . 1.0 . . . . . . . . . . . . A . 9 DC O4' . . . . . . . . . rr_2n5o 1
. 1 . 283 . 1 1 9 DC O5' O 31.610 24.122 41.982 . . . 1.0 . . . . . . . . . . . . A . 9 DC O5' . . . . . . . . . rr_2n5o 1
. 1 . 284 . 1 1 9 DC OP1 O 32.910 26.190 42.535 . . . 1.0 . . . . . . . . . . . . A . 9 DC OP1 . . . . . . . . . rr_2n5o 1
. 1 . 285 . 1 1 9 DC OP2 O 34.029 24.131 41.471 . . . 1.0 . . . . . . . . . . . . A . 9 DC OP2 . . . . . . . . . rr_2n5o 1
. 1 . 286 . 1 1 9 DC P P 32.858 25.031 41.617 . . . 1.0 . . . . . . . . . . . . A . 9 DC P . . . . . . . . . rr_2n5o 1
. 1 . 287 . 2 2 1 DG C1' C 23.156 14.941 34.178 . . . 1.0 . . . . . . . . . . . . B . 10 DG C1' . . . . . . . . . rr_2n5o 1
. 1 . 288 . 2 2 1 DG C2 C 25.594 17.744 36.492 . . . 1.0 . . . . . . . . . . . . B . 10 DG C2 . . . . . . . . . rr_2n5o 1
. 1 . 289 . 2 2 1 DG C2' C 22.225 14.946 32.961 . . . 1.0 . . . . . . . . . . . . B . 10 DG C2' . . . . . . . . . rr_2n5o 1
. 1 . 290 . 2 2 1 DG C3' C 21.165 13.927 33.364 . . . 1.0 . . . . . . . . . . . . B . 10 DG C3' . . . . . . . . . rr_2n5o 1
. 1 . 291 . 2 2 1 DG C4 C 25.219 16.299 34.808 . . . 1.0 . . . . . . . . . . . . B . 10 DG C4 . . . . . . . . . rr_2n5o 1
. 1 . 292 . 2 2 1 DG C4' C 21.968 12.953 34.236 . . . 1.0 . . . . . . . . . . . . B . 10 DG C4' . . . . . . . . . rr_2n5o 1
. 1 . 293 . 2 2 1 DG C5 C 26.551 16.231 34.452 . . . 1.0 . . . . . . . . . . . . B . 10 DG C5 . . . . . . . . . rr_2n5o 1
. 1 . 294 . 2 2 1 DG C5' C 22.218 11.599 33.553 . . . 1.0 . . . . . . . . . . . . B . 10 DG C5' . . . . . . . . . rr_2n5o 1
. 1 . 295 . 2 2 1 DG C6 C 27.496 16.989 35.232 . . . 1.0 . . . . . . . . . . . . B . 10 DG C6 . . . . . . . . . rr_2n5o 1
. 1 . 296 . 2 2 1 DG C8 C 25.513 14.928 33.125 . . . 1.0 . . . . . . . . . . . . B . 10 DG C8 . . . . . . . . . rr_2n5o 1
. 1 . 297 . 2 2 1 DG H1 H 27.532 18.304 36.797 . . . 1.0 . . . . . . . . . . . . B . 10 DG H1 . . . . . . . . . rr_2n5o 1
. 1 . 298 . 2 2 1 DG H1' H 22.692 15.482 35.010 . . . 1.0 . . . . . . . . . . . . B . 10 DG H1' . . . . . . . . . rr_2n5o 1
. 1 . 299 . 2 2 1 DG H2' H 22.733 14.611 32.058 . . . 1.0 . . . . . . . . . . . . B . 10 DG H2' . . . . . . . . . rr_2n5o 1
. 1 . 300 . 2 2 1 DG H2'' H 21.767 15.908 32.804 . . . 1.0 . . . . . . . . . . . . B . 10 DG H2'' . . . . . . . . . rr_2n5o 1
. 1 . 301 . 2 2 1 DG H21 H 25.877 19.067 37.988 . . . 1.0 . . . . . . . . . . . . B . 10 DG H21 . . . . . . . . . rr_2n5o 1
. 1 . 302 . 2 2 1 DG H22 H 24.224 18.484 37.722 . . . 1.0 . . . . . . . . . . . . B . 10 DG H22 . . . . . . . . . rr_2n5o 1
. 1 . 303 . 2 2 1 DG H3' H 20.759 13.380 32.511 . . . 1.0 . . . . . . . . . . . . B . 10 DG H3' . . . . . . . . . rr_2n5o 1
. 1 . 304 . 2 2 1 DG H4' H 21.408 12.764 35.154 . . . 1.0 . . . . . . . . . . . . B . 10 DG H4' . . . . . . . . . rr_2n5o 1
. 1 . 305 . 2 2 1 DG H5' H 22.701 10.940 34.276 . . . 1.0 . . . . . . . . . . . . B . 10 DG H5' . . . . . . . . . rr_2n5o 1
. 1 . 306 . 2 2 1 DG H5'' H 21.257 11.160 33.283 . . . 1.0 . . . . . . . . . . . . B . 10 DG H5'' . . . . . . . . . rr_2n5o 1
. 1 . 307 . 2 2 1 DG H8 H 25.295 14.193 32.360 . . . 1.0 . . . . . . . . . . . . B . 10 DG H8 . . . . . . . . . rr_2n5o 1
. 1 . 308 . 2 2 1 DG HO5' H 23.969 11.680 32.717 . . . 1.0 . . . . . . . . . . . . B . 10 DG HO5' . . . . . . . . . rr_2n5o 1
. 1 . 309 . 2 2 1 DG N1 N 26.918 17.751 36.221 . . . 1.0 . . . . . . . . . . . . B . 10 DG N1 . . . . . . . . . rr_2n5o 1
. 1 . 310 . 2 2 1 DG N2 N 25.208 18.502 37.480 . . . 1.0 . . . . . . . . . . . . B . 10 DG N2 . . . . . . . . . rr_2n5o 1
. 1 . 311 . 2 2 1 DG N3 N 24.681 17.038 35.829 . . . 1.0 . . . . . . . . . . . . B . 10 DG N3 . . . . . . . . . rr_2n5o 1
. 1 . 312 . 2 2 1 DG N7 N 26.729 15.347 33.374 . . . 1.0 . . . . . . . . . . . . B . 10 DG N7 . . . . . . . . . rr_2n5o 1
. 1 . 313 . 2 2 1 DG N9 N 24.550 15.421 33.978 . . . 1.0 . . . . . . . . . . . . B . 10 DG N9 . . . . . . . . . rr_2n5o 1
. 1 . 314 . 2 2 1 DG O3' O 20.129 14.498 34.156 . . . 1.0 . . . . . . . . . . . . B . 10 DG O3' . . . . . . . . . rr_2n5o 1
. 1 . 315 . 2 2 1 DG O4' O 23.210 13.573 34.555 . . . 1.0 . . . . . . . . . . . . B . 10 DG O4' . . . . . . . . . rr_2n5o 1
. 1 . 316 . 2 2 1 DG O5' O 23.039 11.701 32.395 . . . 1.0 . . . . . . . . . . . . B . 10 DG O5' . . . . . . . . . rr_2n5o 1
. 1 . 317 . 2 2 1 DG O6 O 28.726 17.030 35.156 . . . 1.0 . . . . . . . . . . . . B . 10 DG O6 . . . . . . . . . rr_2n5o 1
. 1 . 318 . 2 2 2 DA C1' C 21.411 20.094 34.641 . . . 1.0 . . . . . . . . . . . . B . 11 DA C1' . . . . . . . . . rr_2n5o 1
. 1 . 319 . 2 2 2 DA C2 C 25.462 21.690 35.477 . . . 1.0 . . . . . . . . . . . . B . 11 DA C2 . . . . . . . . . rr_2n5o 1
. 1 . 320 . 2 2 2 DA C2' C 20.300 20.122 33.593 . . . 1.0 . . . . . . . . . . . . B . 11 DA C2' . . . . . . . . . rr_2n5o 1
. 1 . 321 . 2 2 2 DA C3' C 19.070 19.827 34.437 . . . 1.0 . . . . . . . . . . . . B . 11 DA C3' . . . . . . . . . rr_2n5o 1
. 1 . 322 . 2 2 2 DA C4 C 23.946 20.445 34.418 . . . 1.0 . . . . . . . . . . . . B . 11 DA C4 . . . . . . . . . rr_2n5o 1
. 1 . 323 . 2 2 2 DA C4' C 19.650 18.882 35.498 . . . 1.0 . . . . . . . . . . . . B . 11 DA C4' . . . . . . . . . rr_2n5o 1
. 1 . 324 . 2 2 2 DA C5 C 24.892 19.851 33.626 . . . 1.0 . . . . . . . . . . . . B . 11 DA C5 . . . . . . . . . rr_2n5o 1
. 1 . 325 . 2 2 2 DA C5' C 19.309 17.392 35.290 . . . 1.0 . . . . . . . . . . . . B . 11 DA C5' . . . . . . . . . rr_2n5o 1
. 1 . 326 . 2 2 2 DA C6 C 26.216 20.253 33.884 . . . 1.0 . . . . . . . . . . . . B . 11 DA C6 . . . . . . . . . rr_2n5o 1
. 1 . 327 . 2 2 2 DA C8 C 23.066 18.965 33.077 . . . 1.0 . . . . . . . . . . . . B . 11 DA C8 . . . . . . . . . rr_2n5o 1
. 1 . 328 . 2 2 2 DA H1' H 21.395 21.036 35.179 . . . 1.0 . . . . . . . . . . . . B . 11 DA H1' . . . . . . . . . rr_2n5o 1
. 1 . 329 . 2 2 2 DA H2 H 25.715 22.445 36.206 . . . 1.0 . . . . . . . . . . . . B . 11 DA H2 . . . . . . . . . rr_2n5o 1
. 1 . 330 . 2 2 2 DA H2' H 20.443 19.400 32.791 . . . 1.0 . . . . . . . . . . . . B . 11 DA H2' . . . . . . . . . rr_2n5o 1
. 1 . 331 . 2 2 2 DA H2'' H 20.208 21.082 33.138 . . . 1.0 . . . . . . . . . . . . B . 11 DA H2'' . . . . . . . . . rr_2n5o 1
. 1 . 332 . 2 2 2 DA H3' H 18.321 19.317 33.850 . . . 1.0 . . . . . . . . . . . . B . 11 DA H3' . . . . . . . . . rr_2n5o 1
. 1 . 333 . 2 2 2 DA H4' H 19.252 19.133 36.476 . . . 1.0 . . . . . . . . . . . . B . 11 DA H4' . . . . . . . . . rr_2n5o 1
. 1 . 334 . 2 2 2 DA H5' H 19.984 16.794 35.905 . . . 1.0 . . . . . . . . . . . . B . 11 DA H5' . . . . . . . . . rr_2n5o 1
. 1 . 335 . 2 2 2 DA H5'' H 18.297 17.232 35.660 . . . 1.0 . . . . . . . . . . . . B . 11 DA H5'' . . . . . . . . . rr_2n5o 1
. 1 . 336 . 2 2 2 DA H61 H 27.111 19.040 32.544 . . . 1.0 . . . . . . . . . . . . B . 11 DA H61 . . . . . . . . . rr_2n5o 1
. 1 . 337 . 2 2 2 DA H62 H 28.192 20.027 33.520 . . . 1.0 . . . . . . . . . . . . B . 11 DA H62 . . . . . . . . . rr_2n5o 1
. 1 . 338 . 2 2 2 DA H8 H 22.374 18.253 32.671 . . . 1.0 . . . . . . . . . . . . B . 11 DA H8 . . . . . . . . . rr_2n5o 1
. 1 . 339 . 2 2 2 DA N1 N 26.491 21.176 34.808 . . . 1.0 . . . . . . . . . . . . B . 11 DA N1 . . . . . . . . . rr_2n5o 1
. 1 . 340 . 2 2 2 DA N3 N 24.167 21.402 35.368 . . . 1.0 . . . . . . . . . . . . B . 11 DA N3 . . . . . . . . . rr_2n5o 1
. 1 . 341 . 2 2 2 DA N6 N 27.260 19.748 33.255 . . . 1.0 . . . . . . . . . . . . B . 11 DA N6 . . . . . . . . . rr_2n5o 1
. 1 . 342 . 2 2 2 DA N7 N 24.326 18.919 32.752 . . . 1.0 . . . . . . . . . . . . B . 11 DA N7 . . . . . . . . . rr_2n5o 1
. 1 . 343 . 2 2 2 DA N9 N 22.746 19.856 34.060 . . . 1.0 . . . . . . . . . . . . B . 11 DA N9 . . . . . . . . . rr_2n5o 1
. 1 . 344 . 2 2 2 DA O3' O 18.507 21.022 34.987 . . . 1.0 . . . . . . . . . . . . B . 11 DA O3' . . . . . . . . . rr_2n5o 1
. 1 . 345 . 2 2 2 DA O4' O 21.065 19.047 35.528 . . . 1.0 . . . . . . . . . . . . B . 11 DA O4' . . . . . . . . . rr_2n5o 1
. 1 . 346 . 2 2 2 DA O5' O 19.372 16.934 33.945 . . . 1.0 . . . . . . . . . . . . B . 11 DA O5' . . . . . . . . . rr_2n5o 1
. 1 . 347 . 2 2 2 DA OP1 O 17.742 15.049 34.304 . . . 1.0 . . . . . . . . . . . . B . 11 DA OP1 . . . . . . . . . rr_2n5o 1
. 1 . 348 . 2 2 2 DA OP2 O 18.940 15.317 32.096 . . . 1.0 . . . . . . . . . . . . B . 11 DA OP2 . . . . . . . . . rr_2n5o 1
. 1 . 349 . 2 2 2 DA P P 18.971 15.430 33.571 . . . 1.0 . . . . . . . . . . . . B . 11 DA P . . . . . . . . . rr_2n5o 1
. 1 . 350 . 2 2 3 DG C1' C 21.968 25.054 34.414 . . . 1.0 . . . . . . . . . . . . B . 12 DG C1' . . . . . . . . . rr_2n5o 1
. 1 . 351 . 2 2 3 DG C2 C 26.224 24.584 33.617 . . . 1.0 . . . . . . . . . . . . B . 12 DG C2 . . . . . . . . . rr_2n5o 1
. 1 . 352 . 2 2 3 DG C2' C 21.056 26.041 33.702 . . . 1.0 . . . . . . . . . . . . B . 12 DG C2' . . . . . . . . . rr_2n5o 1
. 1 . 353 . 2 2 3 DG C3' C 19.974 26.315 34.724 . . . 1.0 . . . . . . . . . . . . B . 12 DG C3' . . . . . . . . . rr_2n5o 1
. 1 . 354 . 2 2 3 DG C4 C 24.053 24.126 33.320 . . . 1.0 . . . . . . . . . . . . B . 12 DG C4 . . . . . . . . . rr_2n5o 1
. 1 . 355 . 2 2 3 DG C4' C 19.987 25.015 35.550 . . . 1.0 . . . . . . . . . . . . B . 12 DG C4' . . . . . . . . . rr_2n5o 1
. 1 . 356 . 2 2 3 DG C5 C 24.280 23.205 32.320 . . . 1.0 . . . . . . . . . . . . B . 12 DG C5 . . . . . . . . . rr_2n5o 1
. 1 . 357 . 2 2 3 DG C5' C 18.739 24.143 35.413 . . . 1.0 . . . . . . . . . . . . B . 12 DG C5' . . . . . . . . . rr_2n5o 1
. 1 . 358 . 2 2 3 DG C6 C 25.641 22.934 31.963 . . . 1.0 . . . . . . . . . . . . B . 12 DG C6 . . . . . . . . . rr_2n5o 1
. 1 . 359 . 2 2 3 DG C8 C 22.178 23.355 32.505 . . . 1.0 . . . . . . . . . . . . B . 12 DG C8 . . . . . . . . . rr_2n5o 1
. 1 . 360 . 2 2 3 DG H1 H 27.527 23.560 32.439 . . . 1.0 . . . . . . . . . . . . B . 12 DG H1 . . . . . . . . . rr_2n5o 1
. 1 . 361 . 2 2 3 DG H1' H 22.667 25.558 35.084 . . . 1.0 . . . . . . . . . . . . B . 12 DG H1' . . . . . . . . . rr_2n5o 1
. 1 . 362 . 2 2 3 DG H2' H 20.576 25.567 32.847 . . . 1.0 . . . . . . . . . . . . B . 12 DG H2' . . . . . . . . . rr_2n5o 1
. 1 . 363 . 2 2 3 DG H2'' H 21.581 26.940 33.404 . . . 1.0 . . . . . . . . . . . . B . 12 DG H2'' . . . . . . . . . rr_2n5o 1
. 1 . 364 . 2 2 3 DG H21 H 28.144 25.150 33.815 . . . 1.0 . . . . . . . . . . . . B . 12 DG H21 . . . . . . . . . rr_2n5o 1
. 1 . 365 . 2 2 3 DG H22 H 26.966 25.927 34.877 . . . 1.0 . . . . . . . . . . . . B . 12 DG H22 . . . . . . . . . rr_2n5o 1
. 1 . 366 . 2 2 3 DG H3' H 19.043 26.452 34.179 . . . 1.0 . . . . . . . . . . . . B . 12 DG H3' . . . . . . . . . rr_2n5o 1
. 1 . 367 . 2 2 3 DG H4' H 20.104 25.288 36.598 . . . 1.0 . . . . . . . . . . . . B . 12 DG H4' . . . . . . . . . rr_2n5o 1
. 1 . 368 . 2 2 3 DG H5' H 18.748 23.432 36.240 . . . 1.0 . . . . . . . . . . . . B . 12 DG H5' . . . . . . . . . rr_2n5o 1
. 1 . 369 . 2 2 3 DG H5'' H 17.867 24.782 35.519 . . . 1.0 . . . . . . . . . . . . B . 12 DG H5'' . . . . . . . . . rr_2n5o 1
. 1 . 370 . 2 2 3 DG H8 H 21.113 23.253 32.352 . . . 1.0 . . . . . . . . . . . . B . 12 DG H8 . . . . . . . . . rr_2n5o 1
. 1 . 371 . 2 2 3 DG N1 N 26.555 23.697 32.654 . . . 1.0 . . . . . . . . . . . . B . 12 DG N1 . . . . . . . . . rr_2n5o 1
. 1 . 372 . 2 2 3 DG N2 N 27.196 25.260 34.160 . . . 1.0 . . . . . . . . . . . . B . 12 DG N2 . . . . . . . . . rr_2n5o 1
. 1 . 373 . 2 2 3 DG N3 N 24.985 24.840 34.023 . . . 1.0 . . . . . . . . . . . . B . 12 DG N3 . . . . . . . . . rr_2n5o 1
. 1 . 374 . 2 2 3 DG N7 N 23.074 22.708 31.808 . . . 1.0 . . . . . . . . . . . . B . 12 DG N7 . . . . . . . . . rr_2n5o 1
. 1 . 375 . 2 2 3 DG N9 N 22.693 24.198 33.457 . . . 1.0 . . . . . . . . . . . . B . 12 DG N9 . . . . . . . . . rr_2n5o 1
. 1 . 376 . 2 2 3 DG O3' O 20.238 27.417 35.593 . . . 1.0 . . . . . . . . . . . . B . 12 DG O3' . . . . . . . . . rr_2n5o 1
. 1 . 377 . 2 2 3 DG O4' O 21.117 24.242 35.187 . . . 1.0 . . . . . . . . . . . . B . 12 DG O4' . . . . . . . . . rr_2n5o 1
. 1 . 378 . 2 2 3 DG O5' O 18.663 23.431 34.179 . . . 1.0 . . . . . . . . . . . . B . 12 DG O5' . . . . . . . . . rr_2n5o 1
. 1 . 379 . 2 2 3 DG O6 O 26.080 22.131 31.142 . . . 1.0 . . . . . . . . . . . . B . 12 DG O6 . . . . . . . . . rr_2n5o 1
. 1 . 380 . 2 2 3 DG OP1 O 16.452 22.428 34.692 . . . 1.0 . . . . . . . . . . . . B . 12 DG OP1 . . . . . . . . . rr_2n5o 1
. 1 . 381 . 2 2 3 DG OP2 O 17.760 21.681 32.658 . . . 1.0 . . . . . . . . . . . . B . 12 DG OP2 . . . . . . . . . rr_2n5o 1
. 1 . 382 . 2 2 3 DG P P 17.758 22.122 34.070 . . . 1.0 . . . . . . . . . . . . B . 12 DG P . . . . . . . . . rr_2n5o 1
. 1 . 383 . 2 2 4 DC C1' C 25.464 28.815 33.322 . . . 1.0 . . . . . . . . . . . . B . 13 DC C1' . . . . . . . . . rr_2n5o 1
. 1 . 384 . 2 2 4 DC C2 C 26.290 27.275 31.522 . . . 1.0 . . . . . . . . . . . . B . 13 DC C2 . . . . . . . . . rr_2n5o 1
. 1 . 385 . 2 2 4 DC C2' C 24.884 30.202 33.032 . . . 1.0 . . . . . . . . . . . . B . 13 DC C2' . . . . . . . . . rr_2n5o 1
. 1 . 386 . 2 2 4 DC C3' C 24.328 30.705 34.370 . . . 1.0 . . . . . . . . . . . . B . 13 DC C3' . . . . . . . . . rr_2n5o 1
. 1 . 387 . 2 2 4 DC C4 C 24.814 25.975 30.323 . . . 1.0 . . . . . . . . . . . . B . 13 DC C4 . . . . . . . . . rr_2n5o 1
. 1 . 388 . 2 2 4 DC C4' C 24.265 29.419 35.214 . . . 1.0 . . . . . . . . . . . . B . 13 DC C4' . . . . . . . . . rr_2n5o 1
. 1 . 389 . 2 2 4 DC C5 C 23.684 26.577 30.940 . . . 1.0 . . . . . . . . . . . . B . 13 DC C5 . . . . . . . . . rr_2n5o 1
. 1 . 390 . 2 2 4 DC C5' C 22.862 29.081 35.728 . . . 1.0 . . . . . . . . . . . . B . 13 DC C5' . . . . . . . . . rr_2n5o 1
. 1 . 391 . 2 2 4 DC C6 C 23.926 27.515 31.885 . . . 1.0 . . . . . . . . . . . . B . 13 DC C6 . . . . . . . . . rr_2n5o 1
. 1 . 392 . 2 2 4 DC H1' H 26.533 28.897 33.545 . . . 1.0 . . . . . . . . . . . . B . 13 DC H1' . . . . . . . . . rr_2n5o 1
. 1 . 393 . 2 2 4 DC H2' H 24.076 30.135 32.302 . . . 1.0 . . . . . . . . . . . . B . 13 DC H2' . . . . . . . . . rr_2n5o 1
. 1 . 394 . 2 2 4 DC H2'' H 25.664 30.853 32.645 . . . 1.0 . . . . . . . . . . . . B . 13 DC H2'' . . . . . . . . . rr_2n5o 1
. 1 . 395 . 2 2 4 DC H3' H 23.320 31.117 34.250 . . . 1.0 . . . . . . . . . . . . B . 13 DC H3' . . . . . . . . . rr_2n5o 1
. 1 . 396 . 2 2 4 DC H4' H 24.906 29.542 36.083 . . . 1.0 . . . . . . . . . . . . B . 13 DC H4' . . . . . . . . . rr_2n5o 1
. 1 . 397 . 2 2 4 DC H41 H 25.477 24.596 29.060 . . . 1.0 . . . . . . . . . . . . B . 13 DC H41 . . . . . . . . . rr_2n5o 1
. 1 . 398 . 2 2 4 DC H42 H 23.716 24.815 29.123 . . . 1.0 . . . . . . . . . . . . B . 13 DC H42 . . . . . . . . . rr_2n5o 1
. 1 . 399 . 2 2 4 DC H5 H 22.659 26.338 30.679 . . . 1.0 . . . . . . . . . . . . B . 13 DC H5 . . . . . . . . . rr_2n5o 1
. 1 . 400 . 2 2 4 DC H5' H 22.881 28.080 36.166 . . . 1.0 . . . . . . . . . . . . B . 13 DC H5' . . . . . . . . . rr_2n5o 1
. 1 . 401 . 2 2 4 DC H5'' H 22.622 29.789 36.520 . . . 1.0 . . . . . . . . . . . . B . 13 DC H5'' . . . . . . . . . rr_2n5o 1
. 1 . 402 . 2 2 4 DC H6 H 23.111 28.011 32.403 . . . 1.0 . . . . . . . . . . . . B . 13 DC H6 . . . . . . . . . rr_2n5o 1
. 1 . 403 . 2 2 4 DC N1 N 25.217 27.854 32.212 . . . 1.0 . . . . . . . . . . . . B . 13 DC N1 . . . . . . . . . rr_2n5o 1
. 1 . 404 . 2 2 4 DC N3 N 26.064 26.305 30.598 . . . 1.0 . . . . . . . . . . . . B . 13 DC N3 . . . . . . . . . rr_2n5o 1
. 1 . 405 . 2 2 4 DC N4 N 24.652 25.033 29.443 . . . 1.0 . . . . . . . . . . . . B . 13 DC N4 . . . . . . . . . rr_2n5o 1
. 1 . 406 . 2 2 4 DC O2 O 27.458 27.634 31.704 . . . 1.0 . . . . . . . . . . . . B . 13 DC O2 . . . . . . . . . rr_2n5o 1
. 1 . 407 . 2 2 4 DC O3' O 25.170 31.687 34.972 . . . 1.0 . . . . . . . . . . . . B . 13 DC O3' . . . . . . . . . rr_2n5o 1
. 1 . 408 . 2 2 4 DC O4' O 24.781 28.334 34.462 . . . 1.0 . . . . . . . . . . . . B . 13 DC O4' . . . . . . . . . rr_2n5o 1
. 1 . 409 . 2 2 4 DC O5' O 21.854 29.144 34.723 . . . 1.0 . . . . . . . . . . . . B . 13 DC O5' . . . . . . . . . rr_2n5o 1
. 1 . 410 . 2 2 4 DC OP1 O 20.051 29.813 36.270 . . . 1.0 . . . . . . . . . . . . B . 13 DC OP1 . . . . . . . . . rr_2n5o 1
. 1 . 411 . 2 2 4 DC OP2 O 19.519 29.131 33.872 . . . 1.0 . . . . . . . . . . . . B . 13 DC OP2 . . . . . . . . . rr_2n5o 1
. 1 . 412 . 2 2 4 DC P P 20.321 28.941 35.105 . . . 1.0 . . . . . . . . . . . . B . 13 DC P . . . . . . . . . rr_2n5o 1
. 1 . 413 . 2 2 5 DT C1' C 28.755 31.843 30.518 . . . 1.0 . . . . . . . . . . . . B . 14 DT C1' . . . . . . . . . rr_2n5o 1
. 1 . 414 . 2 2 5 DT C2 C 28.943 29.772 29.178 . . . 1.0 . . . . . . . . . . . . B . 14 DT C2 . . . . . . . . . rr_2n5o 1
. 1 . 415 . 2 2 5 DT C2' C 28.144 33.210 30.212 . . . 1.0 . . . . . . . . . . . . B . 14 DT C2' . . . . . . . . . rr_2n5o 1
. 1 . 416 . 2 2 5 DT C3' C 28.596 34.017 31.435 . . . 1.0 . . . . . . . . . . . . B . 14 DT C3' . . . . . . . . . rr_2n5o 1
. 1 . 417 . 2 2 5 DT C4 C 26.975 28.699 28.205 . . . 1.0 . . . . . . . . . . . . B . 14 DT C4 . . . . . . . . . rr_2n5o 1
. 1 . 418 . 2 2 5 DT C4' C 28.751 32.934 32.536 . . . 1.0 . . . . . . . . . . . . B . 14 DT C4' . . . . . . . . . rr_2n5o 1
. 1 . 419 . 2 2 5 DT C5 C 26.164 29.706 28.875 . . . 1.0 . . . . . . . . . . . . B . 14 DT C5 . . . . . . . . . rr_2n5o 1
. 1 . 420 . 2 2 5 DT C5' C 27.796 33.068 33.727 . . . 1.0 . . . . . . . . . . . . B . 14 DT C5' . . . . . . . . . rr_2n5o 1
. 1 . 421 . 2 2 5 DT C6 C 26.742 30.650 29.665 . . . 1.0 . . . . . . . . . . . . B . 14 DT C6 . . . . . . . . . rr_2n5o 1
. 1 . 422 . 2 2 5 DT C7 C 24.673 29.733 28.610 . . . 1.0 . . . . . . . . . . . . B . 14 DT C7 . . . . . . . . . rr_2n5o 1
. 1 . 423 . 2 2 5 DT H1' H 29.826 31.890 30.287 . . . 1.0 . . . . . . . . . . . . B . 14 DT H1' . . . . . . . . . rr_2n5o 1
. 1 . 424 . 2 2 5 DT H2' H 27.058 33.187 30.245 . . . 1.0 . . . . . . . . . . . . B . 14 DT H2' . . . . . . . . . rr_2n5o 1
. 1 . 425 . 2 2 5 DT H2'' H 28.435 33.599 29.222 . . . 1.0 . . . . . . . . . . . . B . 14 DT H2'' . . . . . . . . . rr_2n5o 1
. 1 . 426 . 2 2 5 DT H3 H 28.940 28.179 27.918 . . . 1.0 . . . . . . . . . . . . B . 14 DT H3 . . . . . . . . . rr_2n5o 1
. 1 . 427 . 2 2 5 DT H3' H 27.778 34.695 31.688 . . . 1.0 . . . . . . . . . . . . B . 14 DT H3' . . . . . . . . . rr_2n5o 1
. 1 . 428 . 2 2 5 DT H4' H 29.755 32.955 32.969 . . . 1.0 . . . . . . . . . . . . B . 14 DT H4' . . . . . . . . . rr_2n5o 1
. 1 . 429 . 2 2 5 DT H5' H 27.927 32.197 34.371 . . . 1.0 . . . . . . . . . . . . B . 14 DT H5' . . . . . . . . . rr_2n5o 1
. 1 . 430 . 2 2 5 DT H5'' H 28.073 33.955 34.297 . . . 1.0 . . . . . . . . . . . . B . 14 DT H5'' . . . . . . . . . rr_2n5o 1
. 1 . 431 . 2 2 5 DT H6 H 26.137 31.382 30.185 . . . 1.0 . . . . . . . . . . . . B . 14 DT H6 . . . . . . . . . rr_2n5o 1
. 1 . 432 . 2 2 5 DT H71 H 24.205 30.618 29.040 . . . 1.0 . . . . . . . . . . . . B . 14 DT H71 . . . . . . . . . rr_2n5o 1
. 1 . 433 . 2 2 5 DT H72 H 24.218 28.825 28.995 . . . 1.0 . . . . . . . . . . . . B . 14 DT H72 . . . . . . . . . rr_2n5o 1
. 1 . 434 . 2 2 5 DT H73 H 24.529 29.747 27.527 . . . 1.0 . . . . . . . . . . . . B . 14 DT H73 . . . . . . . . . rr_2n5o 1
. 1 . 435 . 2 2 5 DT N1 N 28.113 30.715 29.795 . . . 1.0 . . . . . . . . . . . . B . 14 DT N1 . . . . . . . . . rr_2n5o 1
. 1 . 436 . 2 2 5 DT N3 N 28.330 28.804 28.422 . . . 1.0 . . . . . . . . . . . . B . 14 DT N3 . . . . . . . . . rr_2n5o 1
. 1 . 437 . 2 2 5 DT O2 O 30.169 29.766 29.289 . . . 1.0 . . . . . . . . . . . . B . 14 DT O2 . . . . . . . . . rr_2n5o 1
. 1 . 438 . 2 2 5 DT O3' O 29.823 34.709 31.237 . . . 1.0 . . . . . . . . . . . . B . 14 DT O3' . . . . . . . . . rr_2n5o 1
. 1 . 439 . 2 2 5 DT O4 O 26.548 27.798 27.491 . . . 1.0 . . . . . . . . . . . . B . 14 DT O4 . . . . . . . . . rr_2n5o 1
. 1 . 440 . 2 2 5 DT O4' O 28.574 31.669 31.910 . . . 1.0 . . . . . . . . . . . . B . 14 DT O4' . . . . . . . . . rr_2n5o 1
. 1 . 441 . 2 2 5 DT O5' O 26.438 33.169 33.332 . . . 1.0 . . . . . . . . . . . . B . 14 DT O5' . . . . . . . . . rr_2n5o 1
. 1 . 442 . 2 2 5 DT OP1 O 25.685 34.045 35.540 . . . 1.0 . . . . . . . . . . . . B . 14 DT OP1 . . . . . . . . . rr_2n5o 1
. 1 . 443 . 2 2 5 DT OP2 O 24.013 33.516 33.699 . . . 1.0 . . . . . . . . . . . . B . 14 DT OP2 . . . . . . . . . rr_2n5o 1
. 1 . 444 . 2 2 5 DT P P 25.266 33.194 34.406 . . . 1.0 . . . . . . . . . . . . B . 14 DT P . . . . . . . . . rr_2n5o 1
. 1 . 445 . 2 2 6 DC C1' C 31.594 32.879 26.189 . . . 1.0 . . . . . . . . . . . . B . 15 DC C1' . . . . . . . . . rr_2n5o 1
. 1 . 446 . 2 2 6 DC C2 C 29.835 31.171 25.857 . . . 1.0 . . . . . . . . . . . . B . 15 DC C2 . . . . . . . . . rr_2n5o 1
. 1 . 447 . 2 2 6 DC C2' C 31.976 34.330 25.856 . . . 1.0 . . . . . . . . . . . . B . 15 DC C2' . . . . . . . . . rr_2n5o 1
. 1 . 448 . 2 2 6 DC C3' C 33.093 34.654 26.842 . . . 1.0 . . . . . . . . . . . . B . 15 DC C3' . . . . . . . . . rr_2n5o 1
. 1 . 449 . 2 2 6 DC C4 C 27.597 31.605 26.074 . . . 1.0 . . . . . . . . . . . . B . 15 DC C4 . . . . . . . . . rr_2n5o 1
. 1 . 450 . 2 2 6 DC C4' C 32.815 33.695 28.002 . . . 1.0 . . . . . . . . . . . . B . 15 DC C4' . . . . . . . . . rr_2n5o 1
. 1 . 451 . 2 2 6 DC C5 C 27.836 32.950 26.438 . . . 1.0 . . . . . . . . . . . . B . 15 DC C5 . . . . . . . . . rr_2n5o 1
. 1 . 452 . 2 2 6 DC C5' C 32.062 34.308 29.198 . . . 1.0 . . . . . . . . . . . . B . 15 DC C5' . . . . . . . . . rr_2n5o 1
. 1 . 453 . 2 2 6 DC C6 C 29.123 33.378 26.485 . . . 1.0 . . . . . . . . . . . . B . 15 DC C6 . . . . . . . . . rr_2n5o 1
. 1 . 454 . 2 2 6 DC H1' H 32.110 32.342 25.387 . . . 1.0 . . . . . . . . . . . . B . 15 DC H1' . . . . . . . . . rr_2n5o 1
. 1 . 455 . 2 2 6 DC H2' H 31.166 35.041 25.951 . . . 1.0 . . . . . . . . . . . . B . 15 DC H2' . . . . . . . . . rr_2n5o 1
. 1 . 456 . 2 2 6 DC H2'' H 32.341 34.391 24.835 . . . 1.0 . . . . . . . . . . . . B . 15 DC H2'' . . . . . . . . . rr_2n5o 1
. 1 . 457 . 2 2 6 DC H3' H 33.042 35.692 27.172 . . . 1.0 . . . . . . . . . . . . B . 15 DC H3' . . . . . . . . . rr_2n5o 1
. 1 . 458 . 2 2 6 DC H4' H 33.778 33.360 28.391 . . . 1.0 . . . . . . . . . . . . B . 15 DC H4' . . . . . . . . . rr_2n5o 1
. 1 . 459 . 2 2 6 DC H41 H 26.230 30.232 25.604 . . . 1.0 . . . . . . . . . . . . B . 15 DC H41 . . . . . . . . . rr_2n5o 1
. 1 . 460 . 2 2 6 DC H42 H 25.599 31.775 26.171 . . . 1.0 . . . . . . . . . . . . B . 15 DC H42 . . . . . . . . . rr_2n5o 1
. 1 . 461 . 2 2 6 DC H5 H 26.994 33.615 26.575 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5 . . . . . . . . . rr_2n5o 1
. 1 . 462 . 2 2 6 DC H5' H 31.912 33.523 29.940 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5' . . . . . . . . . rr_2n5o 1
. 1 . 463 . 2 2 6 DC H5'' H 32.726 35.051 29.641 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5'' . . . . . . . . . rr_2n5o 1
. 1 . 464 . 2 2 6 DC H6 H 29.366 34.409 26.699 . . . 1.0 . . . . . . . . . . . . B . 15 DC H6 . . . . . . . . . rr_2n5o 1
. 1 . 465 . 2 2 6 DC N1 N 30.144 32.498 26.186 . . . 1.0 . . . . . . . . . . . . B . 15 DC N1 . . . . . . . . . rr_2n5o 1
. 1 . 466 . 2 2 6 DC N3 N 28.550 30.736 25.809 . . . 1.0 . . . . . . . . . . . . B . 15 DC N3 . . . . . . . . . rr_2n5o 1
. 1 . 467 . 2 2 6 DC N4 N 26.378 31.156 25.975 . . . 1.0 . . . . . . . . . . . . B . 15 DC N4 . . . . . . . . . rr_2n5o 1
. 1 . 468 . 2 2 6 DC O2 O 30.703 30.346 25.580 . . . 1.0 . . . . . . . . . . . . B . 15 DC O2 . . . . . . . . . rr_2n5o 1
. 1 . 469 . 2 2 6 DC O3' O 34.390 34.339 26.345 . . . 1.0 . . . . . . . . . . . . B . 15 DC O3' . . . . . . . . . rr_2n5o 1
. 1 . 470 . 2 2 6 DC O4' O 32.144 32.560 27.460 . . . 1.0 . . . . . . . . . . . . B . 15 DC O4' . . . . . . . . . rr_2n5o 1
. 1 . 471 . 2 2 6 DC O5' O 30.807 34.926 28.917 . . . 1.0 . . . . . . . . . . . . B . 15 DC O5' . . . . . . . . . rr_2n5o 1
. 1 . 472 . 2 2 6 DC OP1 O 31.018 36.776 30.562 . . . 1.0 . . . . . . . . . . . . B . 15 DC OP1 . . . . . . . . . rr_2n5o 1
. 1 . 473 . 2 2 6 DC OP2 O 28.748 36.228 29.545 . . . 1.0 . . . . . . . . . . . . B . 15 DC OP2 . . . . . . . . . rr_2n5o 1
. 1 . 474 . 2 2 6 DC P P 30.059 35.769 30.060 . . . 1.0 . . . . . . . . . . . . B . 15 DC P . . . . . . . . . rr_2n5o 1
. 1 . 475 . 2 2 7 DC C1' C 32.486 32.408 21.656 . . . 1.0 . . . . . . . . . . . . B . 16 DC C1' . . . . . . . . . rr_2n5o 1
. 1 . 476 . 2 2 7 DC C2 C 30.072 31.929 22.008 . . . 1.0 . . . . . . . . . . . . B . 16 DC C2 . . . . . . . . . rr_2n5o 1
. 1 . 477 . 2 2 7 DC C2' C 33.445 33.426 21.007 . . . 1.0 . . . . . . . . . . . . B . 16 DC C2' . . . . . . . . . rr_2n5o 1
. 1 . 478 . 2 2 7 DC C3' C 34.791 32.720 21.222 . . . 1.0 . . . . . . . . . . . . B . 16 DC C3' . . . . . . . . . rr_2n5o 1
. 1 . 479 . 2 2 7 DC C4 C 28.604 33.465 22.883 . . . 1.0 . . . . . . . . . . . . B . 16 DC C4 . . . . . . . . . rr_2n5o 1
. 1 . 480 . 2 2 7 DC C4' C 34.551 32.085 22.598 . . . 1.0 . . . . . . . . . . . . B . 16 DC C4' . . . . . . . . . rr_2n5o 1
. 1 . 481 . 2 2 7 DC C5 C 29.596 34.482 22.923 . . . 1.0 . . . . . . . . . . . . B . 16 DC C5 . . . . . . . . . rr_2n5o 1
. 1 . 482 . 2 2 7 DC C5' C 35.156 32.891 23.764 . . . 1.0 . . . . . . . . . . . . B . 16 DC C5' . . . . . . . . . rr_2n5o 1
. 1 . 483 . 2 2 7 DC C6 C 30.846 34.142 22.513 . . . 1.0 . . . . . . . . . . . . B . 16 DC C6 . . . . . . . . . rr_2n5o 1
. 1 . 484 . 2 2 7 DC H1' H 32.363 31.684 20.843 . . . 1.0 . . . . . . . . . . . . B . 16 DC H1' . . . . . . . . . rr_2n5o 1
. 1 . 485 . 2 2 7 DC H2' H 33.398 34.417 21.465 . . . 1.0 . . . . . . . . . . . . B . 16 DC H2' . . . . . . . . . rr_2n5o 1
. 1 . 486 . 2 2 7 DC H2'' H 33.261 33.539 19.946 . . . 1.0 . . . . . . . . . . . . B . 16 DC H2'' . . . . . . . . . rr_2n5o 1
. 1 . 487 . 2 2 7 DC H3' H 35.658 33.385 21.252 . . . 1.0 . . . . . . . . . . . . B . 16 DC H3' . . . . . . . . . rr_2n5o 1
. 1 . 488 . 2 2 7 DC H4' H 35.010 31.107 22.668 . . . 1.0 . . . . . . . . . . . . B . 16 DC H4' . . . . . . . . . rr_2n5o 1
. 1 . 489 . 2 2 7 DC H41 H 26.714 32.971 23.230 . . . 1.0 . . . . . . . . . . . . B . 16 DC H41 . . . . . . . . . rr_2n5o 1
. 1 . 490 . 2 2 7 DC H42 H 27.188 34.589 23.757 . . . 1.0 . . . . . . . . . . . . B . 16 DC H42 . . . . . . . . . rr_2n5o 1
. 1 . 491 . 2 2 7 DC H5 H 29.358 35.491 23.222 . . . 1.0 . . . . . . . . . . . . B . 16 DC H5 . . . . . . . . . rr_2n5o 1
. 1 . 492 . 2 2 7 DC H5' H 34.884 32.382 24.691 . . . 1.0 . . . . . . . . . . . . B . 16 DC H5' . . . . . . . . . rr_2n5o 1
. 1 . 493 . 2 2 7 DC H5'' H 36.241 32.847 23.671 . . . 1.0 . . . . . . . . . . . . B . 16 DC H5'' . . . . . . . . . rr_2n5o 1
. 1 . 494 . 2 2 7 DC H6 H 31.644 34.858 22.399 . . . 1.0 . . . . . . . . . . . . B . 16 DC H6 . . . . . . . . . rr_2n5o 1
. 1 . 495 . 2 2 7 DC N1 N 31.115 32.863 22.076 . . . 1.0 . . . . . . . . . . . . B . 16 DC N1 . . . . . . . . . rr_2n5o 1
. 1 . 496 . 2 2 7 DC N3 N 28.829 32.245 22.437 . . . 1.0 . . . . . . . . . . . . B . 16 DC N3 . . . . . . . . . rr_2n5o 1
. 1 . 497 . 2 2 7 DC N4 N 27.399 33.713 23.293 . . . 1.0 . . . . . . . . . . . . B . 16 DC N4 . . . . . . . . . rr_2n5o 1
. 1 . 498 . 2 2 7 DC O2 O 30.248 30.796 21.546 . . . 1.0 . . . . . . . . . . . . B . 16 DC O2 . . . . . . . . . rr_2n5o 1
. 1 . 499 . 2 2 7 DC O3' O 35.045 31.691 20.269 . . . 1.0 . . . . . . . . . . . . B . 16 DC O3' . . . . . . . . . rr_2n5o 1
. 1 . 500 . 2 2 7 DC O4' O 33.158 31.882 22.782 . . . 1.0 . . . . . . . . . . . . B . 16 DC O4' . . . . . . . . . rr_2n5o 1
. 1 . 501 . 2 2 7 DC O5' O 34.763 34.260 23.849 . . . 1.0 . . . . . . . . . . . . B . 16 DC O5' . . . . . . . . . rr_2n5o 1
. 1 . 502 . 2 2 7 DC OP1 O 36.577 35.026 25.406 . . . 1.0 . . . . . . . . . . . . B . 16 DC OP1 . . . . . . . . . rr_2n5o 1
. 1 . 503 . 2 2 7 DC OP2 O 34.505 36.460 25.009 . . . 1.0 . . . . . . . . . . . . B . 16 DC OP2 . . . . . . . . . rr_2n5o 1
. 1 . 504 . 2 2 7 DC P P 35.120 35.121 25.159 . . . 1.0 . . . . . . . . . . . . B . 16 DC P . . . . . . . . . rr_2n5o 1
. 1 . 505 . 2 2 8 DA C1' C 30.075 31.474 16.931 . . . 1.0 . . . . . . . . . . . . B . 17 DA C1' . . . . . . . . . rr_2n5o 1
. 1 . 506 . 2 2 8 DA C2 C 25.842 31.416 18.126 . . . 1.0 . . . . . . . . . . . . B . 17 DA C2 . . . . . . . . . rr_2n5o 1
. 1 . 507 . 2 2 8 DA C2' C 31.027 32.231 16.017 . . . 1.0 . . . . . . . . . . . . B . 17 DA C2' . . . . . . . . . rr_2n5o 1
. 1 . 508 . 2 2 8 DA C3' C 32.204 31.310 15.802 . . . 1.0 . . . . . . . . . . . . B . 17 DA C3' . . . . . . . . . rr_2n5o 1
. 1 . 509 . 2 2 8 DA C4 C 27.919 32.229 18.082 . . . 1.0 . . . . . . . . . . . . B . 17 DA C4 . . . . . . . . . rr_2n5o 1
. 1 . 510 . 2 2 8 DA C4' C 32.126 30.402 17.039 . . . 1.0 . . . . . . . . . . . . B . 17 DA C4' . . . . . . . . . rr_2n5o 1
. 1 . 511 . 2 2 8 DA C5 C 27.624 33.275 18.918 . . . 1.0 . . . . . . . . . . . . B . 17 DA C5 . . . . . . . . . rr_2n5o 1
. 1 . 512 . 2 2 8 DA C5' C 33.333 30.495 17.983 . . . 1.0 . . . . . . . . . . . . B . 17 DA C5' . . . . . . . . . rr_2n5o 1
. 1 . 513 . 2 2 8 DA C6 C 26.271 33.298 19.340 . . . 1.0 . . . . . . . . . . . . B . 17 DA C6 . . . . . . . . . rr_2n5o 1
. 1 . 514 . 2 2 8 DA C8 C 29.692 33.428 18.501 . . . 1.0 . . . . . . . . . . . . B . 17 DA C8 . . . . . . . . . rr_2n5o 1
. 1 . 515 . 2 2 8 DA H1' H 29.387 30.961 16.280 . . . 1.0 . . . . . . . . . . . . B . 17 DA H1' . . . . . . . . . rr_2n5o 1
. 1 . 516 . 2 2 8 DA H2 H 25.156 30.625 17.848 . . . 1.0 . . . . . . . . . . . . B . 17 DA H2 . . . . . . . . . rr_2n5o 1
. 1 . 517 . 2 2 8 DA H2' H 31.401 33.125 16.505 . . . 1.0 . . . . . . . . . . . . B . 17 DA H2' . . . . . . . . . rr_2n5o 1
. 1 . 518 . 2 2 8 DA H2'' H 30.562 32.455 15.070 . . . 1.0 . . . . . . . . . . . . B . 17 DA H2'' . . . . . . . . . rr_2n5o 1
. 1 . 519 . 2 2 8 DA H3' H 33.089 31.938 15.777 . . . 1.0 . . . . . . . . . . . . B . 17 DA H3' . . . . . . . . . rr_2n5o 1
. 1 . 520 . 2 2 8 DA H4' H 32.093 29.380 16.674 . . . 1.0 . . . . . . . . . . . . B . 17 DA H4' . . . . . . . . . rr_2n5o 1
. 1 . 521 . 2 2 8 DA H5' H 33.027 30.195 18.986 . . . 1.0 . . . . . . . . . . . . B . 17 DA H5' . . . . . . . . . rr_2n5o 1
. 1 . 522 . 2 2 8 DA H5'' H 34.063 29.764 17.636 . . . 1.0 . . . . . . . . . . . . B . 17 DA H5'' . . . . . . . . . rr_2n5o 1
. 1 . 523 . 2 2 8 DA H61 H 26.308 34.970 20.482 . . . 1.0 . . . . . . . . . . . . B . 17 DA H61 . . . . . . . . . rr_2n5o 1
. 1 . 524 . 2 2 8 DA H62 H 24.780 34.113 20.422 . . . 1.0 . . . . . . . . . . . . B . 17 DA H62 . . . . . . . . . rr_2n5o 1
. 1 . 525 . 2 2 8 DA H8 H 30.734 33.693 18.486 . . . 1.0 . . . . . . . . . . . . B . 17 DA H8 . . . . . . . . . rr_2n5o 1
. 1 . 526 . 2 2 8 DA N1 N 25.402 32.358 18.951 . . . 1.0 . . . . . . . . . . . . B . 17 DA N1 . . . . . . . . . rr_2n5o 1
. 1 . 527 . 2 2 8 DA N3 N 27.067 31.264 17.632 . . . 1.0 . . . . . . . . . . . . B . 17 DA N3 . . . . . . . . . rr_2n5o 1
. 1 . 528 . 2 2 8 DA N6 N 25.745 34.195 20.147 . . . 1.0 . . . . . . . . . . . . B . 17 DA N6 . . . . . . . . . rr_2n5o 1
. 1 . 529 . 2 2 8 DA N7 N 28.768 34.058 19.177 . . . 1.0 . . . . . . . . . . . . B . 17 DA N7 . . . . . . . . . rr_2n5o 1
. 1 . 530 . 2 2 8 DA N9 N 29.265 32.342 17.804 . . . 1.0 . . . . . . . . . . . . B . 17 DA N9 . . . . . . . . . rr_2n5o 1
. 1 . 531 . 2 2 8 DA O3' O 32.121 30.489 14.644 . . . 1.0 . . . . . . . . . . . . B . 17 DA O3' . . . . . . . . . rr_2n5o 1
. 1 . 532 . 2 2 8 DA O4' O 30.893 30.628 17.719 . . . 1.0 . . . . . . . . . . . . B . 17 DA O4' . . . . . . . . . rr_2n5o 1
. 1 . 533 . 2 2 8 DA O5' O 33.950 31.780 18.034 . . . 1.0 . . . . . . . . . . . . B . 17 DA O5' . . . . . . . . . rr_2n5o 1
. 1 . 534 . 2 2 8 DA OP1 O 36.260 30.857 18.264 . . . 1.0 . . . . . . . . . . . . B . 17 DA OP1 . . . . . . . . . rr_2n5o 1
. 1 . 535 . 2 2 8 DA OP2 O 35.814 33.359 18.528 . . . 1.0 . . . . . . . . . . . . B . 17 DA OP2 . . . . . . . . . rr_2n5o 1
. 1 . 536 . 2 2 8 DA P P 35.379 31.957 18.723 . . . 1.0 . . . . . . . . . . . . B . 17 DA P . . . . . . . . . rr_2n5o 1
. 1 . 537 . 2 2 9 DT C1' C 27.002 32.580 13.726 . . . 1.0 . . . . . . . . . . . . B . 18 DT C1' . . . . . . . . . rr_2n5o 1
. 1 . 538 . 2 2 9 DT C2 C 25.710 34.165 15.107 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2 . . . . . . . . . rr_2n5o 1
. 1 . 539 . 2 2 9 DT C2' C 26.748 32.747 12.217 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2' . . . . . . . . . rr_2n5o 1
. 1 . 540 . 2 2 9 DT C3' C 27.947 32.059 11.546 . . . 1.0 . . . . . . . . . . . . B . 18 DT C3' . . . . . . . . . rr_2n5o 1
. 1 . 541 . 2 2 9 DT C4 C 26.819 35.949 16.358 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4 . . . . . . . . . rr_2n5o 1
. 1 . 542 . 2 2 9 DT C4' C 28.409 31.156 12.690 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4' . . . . . . . . . rr_2n5o 1
. 1 . 543 . 2 2 9 DT C5 C 28.061 35.577 15.681 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5 . . . . . . . . . rr_2n5o 1
. 1 . 544 . 2 2 9 DT C5' C 29.823 30.588 12.617 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5' . . . . . . . . . rr_2n5o 1
. 1 . 545 . 2 2 9 DT C6 C 28.070 34.551 14.789 . . . 1.0 . . . . . . . . . . . . B . 18 DT C6 . . . . . . . . . rr_2n5o 1
. 1 . 546 . 2 2 9 DT C7 C 29.351 36.319 15.988 . . . 1.0 . . . . . . . . . . . . B . 18 DT C7 . . . . . . . . . rr_2n5o 1
. 1 . 547 . 2 2 9 DT H1' H 26.304 31.939 14.248 . . . 1.0 . . . . . . . . . . . . B . 18 DT H1' . . . . . . . . . rr_2n5o 1
. 1 . 548 . 2 2 9 DT H2' H 26.713 33.801 11.935 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2' . . . . . . . . . rr_2n5o 1
. 1 . 549 . 2 2 9 DT H2'' H 25.811 32.257 11.950 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2'' . . . . . . . . . rr_2n5o 1
. 1 . 550 . 2 2 9 DT H3 H 24.859 35.370 16.502 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3 . . . . . . . . . rr_2n5o 1
. 1 . 551 . 2 2 9 DT H3' H 28.730 32.789 11.324 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3' . . . . . . . . . rr_2n5o 1
. 1 . 552 . 2 2 9 DT H4' H 27.718 30.314 12.745 . . . 1.0 . . . . . . . . . . . . B . 18 DT H4' . . . . . . . . . rr_2n5o 1
. 1 . 553 . 2 2 9 DT H5' H 29.907 29.865 13.432 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5' . . . . . . . . . rr_2n5o 1
. 1 . 554 . 2 2 9 DT H5'' H 29.939 30.037 11.686 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5'' . . . . . . . . . rr_2n5o 1
. 1 . 555 . 2 2 9 DT H6 H 28.971 34.238 14.295 . . . 1.0 . . . . . . . . . . . . B . 18 DT H6 . . . . . . . . . rr_2n5o 1
. 1 . 556 . 2 2 9 DT H71 H 29.230 37.367 15.715 . . . 1.0 . . . . . . . . . . . . B . 18 DT H71 . . . . . . . . . rr_2n5o 1
. 1 . 557 . 2 2 9 DT H72 H 30.196 35.901 15.435 . . . 1.0 . . . . . . . . . . . . B . 18 DT H72 . . . . . . . . . rr_2n5o 1
. 1 . 558 . 2 2 9 DT H73 H 29.554 36.278 17.057 . . . 1.0 . . . . . . . . . . . . B . 18 DT H73 . . . . . . . . . rr_2n5o 1
. 1 . 559 . 2 2 9 DT HO3' H 28.322 30.841 10.020 . . . 1.0 . . . . . . . . . . . . B . 18 DT HO3' . . . . . . . . . rr_2n5o 1
. 1 . 560 . 2 2 9 DT N1 N 26.931 33.840 14.506 . . . 1.0 . . . . . . . . . . . . B . 18 DT N1 . . . . . . . . . rr_2n5o 1
. 1 . 561 . 2 2 9 DT N3 N 25.722 35.199 16.008 . . . 1.0 . . . . . . . . . . . . B . 18 DT N3 . . . . . . . . . rr_2n5o 1
. 1 . 562 . 2 2 9 DT O2 O 24.660 33.564 14.889 . . . 1.0 . . . . . . . . . . . . B . 18 DT O2 . . . . . . . . . rr_2n5o 1
. 1 . 563 . 2 2 9 DT O3' O 27.548 31.343 10.378 . . . 1.0 . . . . . . . . . . . . B . 18 DT O3' . . . . . . . . . rr_2n5o 1
. 1 . 564 . 2 2 9 DT O4 O 26.671 36.839 17.191 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4 . . . . . . . . . rr_2n5o 1
. 1 . 565 . 2 2 9 DT O4' O 28.257 31.945 13.850 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4' . . . . . . . . . rr_2n5o 1
. 1 . 566 . 2 2 9 DT O5' O 30.875 31.541 12.741 . . . 1.0 . . . . . . . . . . . . B . 18 DT O5' . . . . . . . . . rr_2n5o 1
. 1 . 567 . 2 2 9 DT OP1 O 32.586 29.802 12.330 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP1 . . . . . . . . . rr_2n5o 1
. 1 . 568 . 2 2 9 DT OP2 O 33.295 32.123 13.115 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP2 . . . . . . . . . rr_2n5o 1
. 1 . 569 . 2 2 9 DT P P 32.322 31.005 13.147 . . . 1.0 . . . . . . . . . . . . B . 18 DT P . . . . . . . . . rr_2n5o 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_2n5o
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2n5o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . AMBER 2 distance NOE simple 0 rr_2n5o 1
1 2n5o.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . AMBER 4 distance NOE simple 0 rr_2n5o 1
1 2n5o.mr . . XPLOR/CNS 5 distance NOE simple 0 rr_2n5o 1
1 2n5o.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . AMBER 7 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . AMBER 8 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . unknown 9 unknown "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2n5o 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_2n5o
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '2n5o'" . . . . distance "general distance" . 0 rr_2n5o 1
2 "From CCPN project: '2n5o'" . . . . "dihedral angle" "Not applicable" . 0 rr_2n5o 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2n5o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . AMBER 2 distance NOE simple 0 rr_2n5o 1
1 2n5o.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . AMBER 4 distance NOE simple 0 rr_2n5o 1
1 2n5o.mr . . XPLOR/CNS 5 distance NOE simple 0 rr_2n5o 1
1 2n5o.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . AMBER 7 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . AMBER 8 "dihedral angle" "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . unknown 9 unknown "Not applicable" "Not applicable" 0 rr_2n5o 1
1 2n5o.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2n5o 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID rr_2n5o
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 5
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2n5o 1
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1
;# Watson-Crick base pair restraints
# G-C base pairs: 3-16, 4-15, 6-13, 12-7, 10-9 &rst iat = 3, 16, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 3, 16, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 3, 16, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / &rst iat = 4, 15, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 4, 15, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 4, 15, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / &rst iat = 6, 13, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 6, 13, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 6, 13, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / &rst iat = 12, 7, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 12, 7, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 12, 7, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / &rst iat = 10, 9, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 10, 9, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 10, 9, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / # A-T/U base pairs: 1-18, 17-2, 11-8 &rst iat = 1, 18, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42, rk2 =25.00, rk3 =25.00, / &rst iat = 1, 18, iresid = 1, atnam(1)='N6',atnam(2)='O4', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 17, 2, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42, rk2 =25.00, rk3 =25.00, / &rst iat = 17, 2, iresid = 1, atnam(1)='N6',atnam(2)='O4', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 11, 8, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42, rk2 =25.00, rk3 =25.00, / &rst iat = 11, 8, iresid = 1, atnam(1)='N6',atnam(2)='O4', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / # G-C Base pair angle restraints
# 3-16, 4-15, 6-13, 12-7, 10-9 &rst iat = 3, 16, 16, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 3, 3, 16, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 3, 3, 16, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 4, 15, 15, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 4, 4, 15, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 4, 4, 15, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 6, 13, 13, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 6, 6, 13, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 6, 6, 13, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 12, 7, 7, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 12, 12, 7, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 12, 12, 7, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 10, 9, 9, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 10, 10, 9, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 10, 10, 9, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / #A-T Base Pair angle restraints
# 1-18, 17-2, 11-8 &rst iat = 1, 18, 18, iresid = 1, atnam(1)='N1',atnam(2)='H3', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 1, 1, 18, iresid = 1, atnam(1)='N6',atnam(2)='H61', atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 17, 2, 2, iresid = 1, atnam(1)='N1',atnam(2)='H3', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 17, 17, 2, iresid = 1, atnam(1)='N6',atnam(2)='H61', atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 11, 8, 8, iresid = 1, atnam(1)='N1',atnam(2)='H3', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 11, 11, 8, iresid = 1, atnam(1)='N6',atnam(2)='H61', atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, /
;
1 1 155 32 rr_2n5o 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Entry_ID rr_2n5o
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2n5o 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;# Watson-Crick base pair restraints
# G-C base pairs: 3-16, 4-15, 6-13, 12-7, 10-9 &rst iat = 3, 16, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 3, 16, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 3, 16, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / &rst iat = 4, 15, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 4, 15, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 4, 15, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / &rst iat = 6, 13, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 6, 13, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 6, 13, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / &rst iat = 12, 7, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 12, 7, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 12, 7, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / &rst iat = 10, 9, iresid = 1, atnam(1)='O6',atnam(2)='N4', r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51, rk2 =25.00, rk3 =25.00, / &rst iat = 10, 9, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 10, 9, iresid = 1, atnam(1)='N2',atnam(2)='O2', r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46, rk2 =25.00, rk3 =25.00, / # A-T/U base pairs: 1-18, 17-2, 11-8 &rst iat = 1, 18, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42, rk2 =25.00, rk3 =25.00, / &rst iat = 1, 18, iresid = 1, atnam(1)='N6',atnam(2)='O4', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 17, 2, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42, rk2 =25.00, rk3 =25.00, / &rst iat = 17, 2, iresid = 1, atnam(1)='N6',atnam(2)='O4', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / &rst iat = 11, 8, iresid = 1, atnam(1)='N1',atnam(2)='N3', r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42, rk2 =25.00, rk3 =25.00, / &rst iat = 11, 8, iresid = 1, atnam(1)='N6',atnam(2)='O4', r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55, rk2 =25.00, rk3 =25.00, / # G-C Base pair angle restraints
# 3-16, 4-15, 6-13, 12-7, 10-9 &rst iat = 3, 16, 16, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 3, 3, 16, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 3, 3, 16, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 4, 15, 15, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 4, 4, 15, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 4, 4, 15, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 6, 13, 13, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 6, 6, 13, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 6, 6, 13, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 12, 7, 7, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 12, 12, 7, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 12, 12, 7, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 10, 9, 9, iresid = 1, atnam(1)='O6',atnam(2)='H41', atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 10, 10, 9, iresid = 1, atnam(1)='N2',atnam(2)='H21', atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 10, 10, 9, iresid = 1, atnam(1)='N1',atnam(2)='H1', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / #A-T Base Pair angle restraints
# 1-18, 17-2, 11-8 &rst iat = 1, 18, 18, iresid = 1, atnam(1)='N1',atnam(2)='H3', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 1, 1, 18, iresid = 1, atnam(1)='N6',atnam(2)='H61', atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 17, 2, 2, iresid = 1, atnam(1)='N1',atnam(2)='H3', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 17, 17, 2, iresid = 1, atnam(1)='N6',atnam(2)='H61', atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 11, 8, 8, iresid = 1, atnam(1)='N1',atnam(2)='H3', atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, / &rst iat = 11, 11, 8, iresid = 1, atnam(1)='N6',atnam(2)='H61', atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210, rk2 =10.00, rk3 =10.00, /
;
1 1 155 32 rr_2n5o 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Entry_ID rr_2n5o
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
loop_
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_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_2n5o 1
stop_
loop_
_TA_constraint_parse_err.ID
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_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
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1
;# BACKBONE TORSION ANGLE RESTRAINTS
# See below for CTNOESY epsilon restraints
# torsion angle constraint number t gamma &rst iat = 1, 1, 1, 1, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#============================================================================
# torsion angle constraint number 2 zeta &rst iat = 1, 1, 2, 2, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 1, 2, 2, 2, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#=================================================================================
# torsion angle constraint number 2 zeta &rst iat = 2, 2, 3, 3, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 2, 3, 3, 3, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#==============================================================================
# torsion angle constraint number 2 zeta &rst iat = 3, 3, 4, 4, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 3, 4, 4, 4, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================== torsion angle constraint number 2 zeta &rst iat = 4, 4, 5, 5, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# no restraints for UB backbone (aside from delta from sugar and epsilon below)
# torsion angle constraint number 4 beta &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================== # torsion angle constraint number 2 zeta &rst iat = 6, 6, 7, 7, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 6, 7, 7, 7, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 7, 7, 7, 7, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 7, 7, 7, 7, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================
# torsion angle constraint number 2 zeta &rst iat = 7, 7, 8, 8, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 7, 8, 8, 8, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 8, 8, 8, 8, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 8, 8, 8, 8, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number 2 zeta &rst iat = 8, 8, 9, 9, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 8, 9, 9, 9, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 9, 9, 9, 9, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 9, 9, 9, 9, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #2nd Strand ============================================================ # torsion angle constraint number t gamma &rst iat = 10, 10, 10, 10, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#====================================================================
# torsion angle constraint number 2 zeta &rst iat = 10, 10, 11, 11, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 10, 11, 11, 11, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number 2 zeta &rst iat = 11, 11, 12, 12, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 11, 12, 12, 12, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#=============================================================
# torsion angle constraint number 2 zeta &rst iat = 12, 12, 13, 13, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 12, 13, 13, 13, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #==================================================================
# torsion angle constraint number 2 zeta &rst iat = 13, 13, 14, 14, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 13, 14, 14, 14, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number 2 zeta &rst iat = 14, 14, 15, 15, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 14, 15, 15, 15, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 15, 15, 15, 15, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 15, 15, 15, 15, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number 2 zeta &rst iat = 15, 15, 16, 16, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 15, 16, 16, 16, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 16, 16, 16, 16, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 16, 16, 16, 16, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number 2 zeta &rst iat = 16, 16, 17, 17, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 16, 17, 17, 17, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 17, 17, 17, 17, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 17, 17, 17, 17, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number 2 zeta &rst iat = 17, 17, 18, 18, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number 3 alpha &rst iat = 17, 18, 18, 18, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number 4 beta &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number 5 gamma &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, /
;
1 1 328 38 rr_2n5o 1
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save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_2n5o
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER DNA 23-JUL-15 2N5O *TITLE UNIVERSAL BASE OLIGONUCLEOTIDE STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA_(5'-D(*AP*TP*GP*GP*(4EN)P*GP*CP*TP*C)-3'); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: DNA_(5'-D(*GP*AP*GP*CP*TP*CP*CP*AP*T)-3'); *COMPND 7 CHAIN: B; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630; *SOURCE 5 MOL_ID: 2; *SOURCE 6 SYNTHETIC: YES; *SOURCE 7 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 8 ORGANISM_TAXID: 32630 *KEYWDS NUCLEIC ACID, DNA, UNIVERSAL BASE, SYNTHETIC BASE *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR A.M.SPRING-CONNELL, M.G.EVICH, F.SEELA, M.W.GERMANN *REVDAT 1 07-SEP-16 2N5O 0"
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