NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
482364 |
1ntq   |
5775 | cing | 3-converted-DOCR | STAR | entry | full | 263 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1ntq
# This DOCR archive file contains, for PDB entry <1ntq>:
#
# - 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, minor 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_1ntq
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1ntq"
_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 1ntq"
_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 1ntq "Master copy" rr_1ntq
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1ntq
_Assembly.ID 1
_Assembly.Name 1ntq
_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 5087.12326
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 "5 R AP AP AP GP GP AP GP GP A 3" 1 $5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_ A . no . . . . . . rr_1ntq 1
2 "5 D CP CP UP CP CP UP U 3" 2 $5__D__CP_CP_UP_CP_CP_UP_U__3_ B . no . . . . . . rr_1ntq 1
stop_
save_
save_5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_
_Entity.Sf_category entity
_Entity.Sf_framecode 5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_
_Entity.Entry_ID rr_1ntq
_Entity.ID 1
_Entity.Name 5__R__AP_AP_AP_GP_GP_AP_GP_GP_A__3_
_Entity.Type polymer
_Entity.Polymer_type polyribonucleotide
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code AAAGGAGGA
_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 1
_Entity.Formula_weight 3045.89684
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 . A . rr_1ntq 1
2 . A . rr_1ntq 1
3 . A . rr_1ntq 1
4 . G . rr_1ntq 1
5 . G . rr_1ntq 1
6 . A . rr_1ntq 1
7 . G . rr_1ntq 1
8 . G . rr_1ntq 1
9 . A . rr_1ntq 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
. A 1 1 rr_1ntq 1
. A 2 2 rr_1ntq 1
. A 3 3 rr_1ntq 1
. G 4 4 rr_1ntq 1
. G 5 5 rr_1ntq 1
. A 6 6 rr_1ntq 1
. G 7 7 rr_1ntq 1
. G 8 8 rr_1ntq 1
. A 9 9 rr_1ntq 1
stop_
save_
save_5__D__CP_CP_UP_CP_CP_UP_U__3_
_Entity.Sf_category entity
_Entity.Sf_framecode 5__D__CP_CP_UP_CP_CP_UP_U__3_
_Entity.Entry_ID rr_1ntq
_Entity.ID 2
_Entity.Name 5__D__CP_CP_UP_CP_CP_UP_U__3_
_Entity.Type polymer
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code CCUCCUU
_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 7
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
_Entity.Formula_weight 2041.22642
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 . DC . rr_1ntq 2
2 . DC . rr_1ntq 2
3 . DU . rr_1ntq 2
4 . DC . rr_1ntq 2
5 . DC . rr_1ntq 2
6 . DU . rr_1ntq 2
7 . DU . rr_1ntq 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
. DC 1 1 rr_1ntq 2
. DC 2 2 rr_1ntq 2
. DU 3 3 rr_1ntq 2
. DC 4 4 rr_1ntq 2
. DC 5 5 rr_1ntq 2
. DU 6 6 rr_1ntq 2
. DU 7 7 rr_1ntq 2
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1ntq
_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_1ntq
_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_1ntq 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_1ntq 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 A C1' C 3.689 -7.314 14.072 . . . 1.0 . . . . . . . . . . . . A . 2 A C1' . . . . . . . . . rr_1ntq 1
. 1 . 2 . 1 1 1 A C2 C -0.679 -8.469 12.953 . . . 1.0 . . . . . . . . . . . . A . 2 A C2 . . . . . . . . . rr_1ntq 1
. 1 . 3 . 1 1 1 A C2' C 4.229 -8.431 13.144 . . . 1.0 . . . . . . . . . . . . A . 2 A C2' . . . . . . . . . rr_1ntq 1
. 1 . 4 . 1 1 1 A C3' C 5.491 -7.799 12.569 . . . 1.0 . . . . . . . . . . . . A . 2 A C3' . . . . . . . . . rr_1ntq 1
. 1 . 5 . 1 1 1 A C4 C 1.204 -7.093 13.256 . . . 1.0 . . . . . . . . . . . . A . 2 A C4 . . . . . . . . . rr_1ntq 1
. 1 . 6 . 1 1 1 A C4' C 5.982 -6.914 13.718 . . . 1.0 . . . . . . . . . . . . A . 2 A C4' . . . . . . . . . rr_1ntq 1
. 1 . 7 . 1 1 1 A C5 C 0.321 -5.952 13.029 . . . 1.0 . . . . . . . . . . . . A . 2 A C5 . . . . . . . . . rr_1ntq 1
. 1 . 8 . 1 1 1 A C5' C 6.994 -5.810 13.337 . . . 1.0 . . . . . . . . . . . . A . 2 A C5' . . . . . . . . . rr_1ntq 1
. 1 . 9 . 1 1 1 A C6 C -1.082 -6.230 12.791 . . . 1.0 . . . . . . . . . . . . A . 2 A C6 . . . . . . . . . rr_1ntq 1
. 1 . 10 . 1 1 1 A C8 C 2.246 -5.243 13.366 . . . 1.0 . . . . . . . . . . . . A . 2 A C8 . . . . . . . . . rr_1ntq 1
. 1 . 11 . 1 1 1 A H1' H 3.410 -7.749 15.051 . . . 1.0 . . . . . . . . . . . . A . 2 A H1' . . . . . . . . . rr_1ntq 1
. 1 . 12 . 1 1 1 A H2 H -1.111 -9.458 12.899 . . . 1.0 . . . . . . . . . . . . A . 2 A H2 . . . . . . . . . rr_1ntq 1
. 1 . 13 . 1 1 1 A H2' H 3.528 -8.716 12.335 . . . 1.0 . . . . . . . . . . . . A . 2 A H2' . . . . . . . . . rr_1ntq 1
. 1 . 14 . 1 1 1 A H3' H 5.182 -7.160 11.717 . . . 1.0 . . . . . . . . . . . . A . 2 A H3' . . . . . . . . . rr_1ntq 1
. 1 . 15 . 1 1 1 A H4' H 6.456 -7.552 14.491 . . . 1.0 . . . . . . . . . . . . A . 2 A H4' . . . . . . . . . rr_1ntq 1
. 1 . 16 . 1 1 1 A H5' H 6.990 -5.008 14.097 . . . 1.0 . . . . . . . . . . . . A . 2 A H5' . . . . . . . . . rr_1ntq 1
. 1 . 17 . 1 1 1 A H5'' H 8.016 -6.232 13.349 . . . 1.0 . . . . . . . . . . . . A . 2 A H5'' . . . . . . . . . rr_1ntq 1
. 1 . 18 . 1 1 1 A H61 H -2.934 -5.551 12.432 . . . 1.0 . . . . . . . . . . . . A . 2 A H61 . . . . . . . . . rr_1ntq 1
. 1 . 19 . 1 1 1 A H62 H -1.601 -4.298 12.612 . . . 1.0 . . . . . . . . . . . . A . 2 A H62 . . . . . . . . . rr_1ntq 1
. 1 . 20 . 1 1 1 A H8 H 3.061 -4.544 13.503 . . . 1.0 . . . . . . . . . . . . A . 2 A H8 . . . . . . . . . rr_1ntq 1
. 1 . 21 . 1 1 1 A HO2' H 5.332 -9.961 13.435 . . . 1.0 . . . . . . . . . . . . A . 2 A HO2' . . . . . . . . . rr_1ntq 1
. 1 . 22 . 1 1 1 A HO5' H 7.041 -5.934 11.397 . . . 1.0 . . . . . . . . . . . . A . 2 A HO5' . . . . . . . . . rr_1ntq 1
. 1 . 23 . 1 1 1 A N1 N -1.518 -7.474 12.759 . . . 1.0 . . . . . . . . . . . . A . 2 A N1 . . . . . . . . . rr_1ntq 1
. 1 . 24 . 1 1 1 A N3 N 0.605 -8.430 13.201 . . . 1.0 . . . . . . . . . . . . A . 2 A N3 . . . . . . . . . rr_1ntq 1
. 1 . 25 . 1 1 1 A N6 N -1.966 -5.257 12.603 . . . 1.0 . . . . . . . . . . . . A . 2 A N6 . . . . . . . . . rr_1ntq 1
. 1 . 26 . 1 1 1 A N7 N 0.992 -4.740 13.094 . . . 1.0 . . . . . . . . . . . . A . 2 A N7 . . . . . . . . . rr_1ntq 1
. 1 . 27 . 1 1 1 A N9 N 2.489 -6.607 13.509 . . . 1.0 . . . . . . . . . . . . A . 2 A N9 . . . . . . . . . rr_1ntq 1
. 1 . 28 . 1 1 1 A O2' O 4.570 -9.593 13.896 . . . 1.0 . . . . . . . . . . . . A . 2 A O2' . . . . . . . . . rr_1ntq 1
. 1 . 29 . 1 1 1 A O3' O 6.493 -8.753 12.171 . . . 1.0 . . . . . . . . . . . . A . 2 A O3' . . . . . . . . . rr_1ntq 1
. 1 . 30 . 1 1 1 A O4' O 4.777 -6.375 14.279 . . . 1.0 . . . . . . . . . . . . A . 2 A O4' . . . . . . . . . rr_1ntq 1
. 1 . 31 . 1 1 1 A O5' O 6.756 -5.255 12.043 . . . 1.0 . . . . . . . . . . . . A . 2 A O5' . . . . . . . . . rr_1ntq 1
. 1 . 32 . 1 1 2 A C1' C 2.413 -9.704 9.231 . . . 1.0 . . . . . . . . . . . . A . 3 A C1' . . . . . . . . . rr_1ntq 1
. 1 . 33 . 1 1 2 A C2 C -1.074 -6.671 9.166 . . . 1.0 . . . . . . . . . . . . A . 3 A C2 . . . . . . . . . rr_1ntq 1
. 1 . 34 . 1 1 2 A C2' C 2.609 -10.088 7.753 . . . 1.0 . . . . . . . . . . . . A . 3 A C2' . . . . . . . . . rr_1ntq 1
. 1 . 35 . 1 1 2 A C3' C 4.125 -10.291 7.634 . . . 1.0 . . . . . . . . . . . . A . 3 A C3' . . . . . . . . . rr_1ntq 1
. 1 . 36 . 1 1 2 A C4 C 1.138 -7.435 9.349 . . . 1.0 . . . . . . . . . . . . A . 3 A C4 . . . . . . . . . rr_1ntq 1
. 1 . 37 . 1 1 2 A C4' C 4.471 -10.842 9.026 . . . 1.0 . . . . . . . . . . . . A . 3 A C4' . . . . . . . . . rr_1ntq 1
. 1 . 38 . 1 1 2 A C5 C 1.543 -6.038 9.477 . . . 1.0 . . . . . . . . . . . . A . 3 A C5 . . . . . . . . . rr_1ntq 1
. 1 . 39 . 1 1 2 A C5' C 5.914 -10.613 9.506 . . . 1.0 . . . . . . . . . . . . A . 3 A C5' . . . . . . . . . rr_1ntq 1
. 1 . 40 . 1 1 2 A C6 C 0.497 -5.037 9.442 . . . 1.0 . . . . . . . . . . . . A . 3 A C6 . . . . . . . . . rr_1ntq 1
. 1 . 41 . 1 1 2 A C8 C 3.245 -7.229 9.539 . . . 1.0 . . . . . . . . . . . . A . 3 A C8 . . . . . . . . . rr_1ntq 1
. 1 . 42 . 1 1 2 A H1' H 1.504 -10.192 9.633 . . . 1.0 . . . . . . . . . . . . A . 3 A H1' . . . . . . . . . rr_1ntq 1
. 1 . 43 . 1 1 2 A H2 H -2.125 -6.880 9.032 . . . 1.0 . . . . . . . . . . . . A . 3 A H2 . . . . . . . . . rr_1ntq 1
. 1 . 44 . 1 1 2 A H2' H 2.264 -9.303 7.057 . . . 1.0 . . . . . . . . . . . . A . 3 A H2' . . . . . . . . . rr_1ntq 1
. 1 . 45 . 1 1 2 A H3' H 4.619 -9.309 7.488 . . . 1.0 . . . . . . . . . . . . A . 3 A H3' . . . . . . . . . rr_1ntq 1
. 1 . 46 . 1 1 2 A H4' H 4.267 -11.930 9.036 . . . 1.0 . . . . . . . . . . . . A . 3 A H4' . . . . . . . . . rr_1ntq 1
. 1 . 47 . 1 1 2 A H5' H 6.052 -11.113 10.484 . . . 1.0 . . . . . . . . . . . . A . 3 A H5' . . . . . . . . . rr_1ntq 1
. 1 . 48 . 1 1 2 A H5'' H 6.630 -11.092 8.813 . . . 1.0 . . . . . . . . . . . . A . 3 A H5'' . . . . . . . . . rr_1ntq 1
. 1 . 49 . 1 1 2 A H61 H -0.052 -3.107 9.568 . . . 1.0 . . . . . . . . . . . . A . 3 A H61 . . . . . . . . . rr_1ntq 1
. 1 . 50 . 1 1 2 A H62 H 1.741 -3.484 9.705 . . . 1.0 . . . . . . . . . . . . A . 3 A H62 . . . . . . . . . rr_1ntq 1
. 1 . 51 . 1 1 2 A H8 H 4.290 -7.505 9.552 . . . 1.0 . . . . . . . . . . . . A . 3 A H8 . . . . . . . . . rr_1ntq 1
. 1 . 52 . 1 1 2 A HO2' H 1.671 -11.241 6.537 . . . 1.0 . . . . . . . . . . . . A . 3 A HO2' . . . . . . . . . rr_1ntq 1
. 1 . 53 . 1 1 2 A N1 N -0.760 -5.400 9.283 . . . 1.0 . . . . . . . . . . . . A . 3 A N1 . . . . . . . . . rr_1ntq 1
. 1 . 54 . 1 1 2 A N3 N -0.289 -7.716 9.181 . . . 1.0 . . . . . . . . . . . . A . 3 A N3 . . . . . . . . . rr_1ntq 1
. 1 . 55 . 1 1 2 A N6 N 0.755 -3.742 9.581 . . . 1.0 . . . . . . . . . . . . A . 3 A N6 . . . . . . . . . rr_1ntq 1
. 1 . 56 . 1 1 2 A N7 N 2.917 -5.891 9.609 . . . 1.0 . . . . . . . . . . . . A . 3 A N7 . . . . . . . . . rr_1ntq 1
. 1 . 57 . 1 1 2 A N9 N 2.280 -8.222 9.404 . . . 1.0 . . . . . . . . . . . . A . 3 A N9 . . . . . . . . . rr_1ntq 1
. 1 . 58 . 1 1 2 A O2' O 1.893 -11.290 7.474 . . . 1.0 . . . . . . . . . . . . A . 3 A O2' . . . . . . . . . rr_1ntq 1
. 1 . 59 . 1 1 2 A O3' O 4.503 -11.203 6.582 . . . 1.0 . . . . . . . . . . . . A . 3 A O3' . . . . . . . . . rr_1ntq 1
. 1 . 60 . 1 1 2 A O4' O 3.559 -10.206 9.946 . . . 1.0 . . . . . . . . . . . . A . 3 A O4' . . . . . . . . . rr_1ntq 1
. 1 . 61 . 1 1 2 A O5' O 6.211 -9.207 9.609 . . . 1.0 . . . . . . . . . . . . A . 3 A O5' . . . . . . . . . rr_1ntq 1
. 1 . 62 . 1 1 2 A OP1 O 8.522 -9.425 10.741 . . . 1.0 . . . . . . . . . . . . A . 3 A OP1 . . . . . . . . . rr_1ntq 1
. 1 . 63 . 1 1 2 A OP2 O 7.513 -7.146 10.454 . . . 1.0 . . . . . . . . . . . . A . 3 A OP2 . . . . . . . . . rr_1ntq 1
. 1 . 64 . 1 1 2 A P P 7.218 -8.626 10.730 . . . 1.0 . . . . . . . . . . . . A . 3 A P . . . . . . . . . rr_1ntq 1
. 1 . 65 . 1 1 3 A C1' C -0.584 -9.309 4.990 . . . 1.0 . . . . . . . . . . . . A . 4 A C1' . . . . . . . . . rr_1ntq 1
. 1 . 66 . 1 1 3 A C2 C -2.430 -5.171 5.927 . . . 1.0 . . . . . . . . . . . . A . 4 A C2 . . . . . . . . . rr_1ntq 1
. 1 . 67 . 1 1 3 A C2' C -0.910 -9.490 3.496 . . . 1.0 . . . . . . . . . . . . A . 4 A C2' . . . . . . . . . rr_1ntq 1
. 1 . 68 . 1 1 3 A C3' C 0.302 -10.263 2.960 . . . 1.0 . . . . . . . . . . . . A . 4 A C3' . . . . . . . . . rr_1ntq 1
. 1 . 69 . 1 1 3 A C4 C -0.748 -6.762 5.525 . . . 1.0 . . . . . . . . . . . . A . 4 A C4 . . . . . . . . . rr_1ntq 1
. 1 . 70 . 1 1 3 A C4' C 0.671 -11.134 4.168 . . . 1.0 . . . . . . . . . . . . A . 4 A C4' . . . . . . . . . rr_1ntq 1
. 1 . 71 . 1 1 3 A C5 C 0.217 -5.671 5.626 . . . 1.0 . . . . . . . . . . . . A . 4 A C5 . . . . . . . . . rr_1ntq 1
. 1 . 72 . 1 1 3 A C5' C 2.132 -11.621 4.208 . . . 1.0 . . . . . . . . . . . . A . 4 A C5' . . . . . . . . . rr_1ntq 1
. 1 . 73 . 1 1 3 A C6 C -0.302 -4.345 5.893 . . . 1.0 . . . . . . . . . . . . A . 4 A C6 . . . . . . . . . rr_1ntq 1
. 1 . 74 . 1 1 3 A C8 C 1.249 -7.435 5.229 . . . 1.0 . . . . . . . . . . . . A . 4 A C8 . . . . . . . . . rr_1ntq 1
. 1 . 75 . 1 1 3 A H1' H -1.496 -9.466 5.598 . . . 1.0 . . . . . . . . . . . . A . 4 A H1' . . . . . . . . . rr_1ntq 1
. 1 . 76 . 1 1 3 A H2 H -3.476 -4.929 6.048 . . . 1.0 . . . . . . . . . . . . A . 4 A H2 . . . . . . . . . rr_1ntq 1
. 1 . 77 . 1 1 3 A H2' H -1.026 -8.530 2.964 . . . 1.0 . . . . . . . . . . . . A . 4 A H2' . . . . . . . . . rr_1ntq 1
. 1 . 78 . 1 1 3 A H3' H 1.128 -9.555 2.745 . . . 1.0 . . . . . . . . . . . . A . 4 A H3' . . . . . . . . . rr_1ntq 1
. 1 . 79 . 1 1 3 A H4' H 0.007 -12.020 4.177 . . . 1.0 . . . . . . . . . . . . A . 4 A H4' . . . . . . . . . rr_1ntq 1
. 1 . 80 . 1 1 3 A H5' H 2.238 -12.400 4.987 . . . 1.0 . . . . . . . . . . . . A . 4 A H5' . . . . . . . . . rr_1ntq 1
. 1 . 81 . 1 1 3 A H5'' H 2.403 -12.112 3.253 . . . 1.0 . . . . . . . . . . . . A . 4 A H5'' . . . . . . . . . rr_1ntq 1
. 1 . 82 . 1 1 3 A H61 H 0.054 -2.389 6.240 . . . 1.0 . . . . . . . . . . . . A . 4 A H61 . . . . . . . . . rr_1ntq 1
. 1 . 83 . 1 1 3 A H62 H 1.500 -3.467 5.901 . . . 1.0 . . . . . . . . . . . . A . 4 A H62 . . . . . . . . . rr_1ntq 1
. 1 . 84 . 1 1 3 A H8 H 2.068 -8.101 4.992 . . . 1.0 . . . . . . . . . . . . A . 4 A H8 . . . . . . . . . rr_1ntq 1
. 1 . 85 . 1 1 3 A HO2' H -2.451 -10.014 2.476 . . . 1.0 . . . . . . . . . . . . A . 4 A HO2' . . . . . . . . . rr_1ntq 1
. 1 . 86 . 1 1 3 A N1 N -1.599 -4.158 6.036 . . . 1.0 . . . . . . . . . . . . A . 4 A N1 . . . . . . . . . rr_1ntq 1
. 1 . 87 . 1 1 3 A N3 N -2.166 -6.430 5.691 . . . 1.0 . . . . . . . . . . . . A . 4 A N3 . . . . . . . . . rr_1ntq 1
. 1 . 88 . 1 1 3 A N6 N 0.496 -3.289 6.017 . . . 1.0 . . . . . . . . . . . . A . 4 A N6 . . . . . . . . . rr_1ntq 1
. 1 . 89 . 1 1 3 A N7 N 1.525 -6.100 5.442 . . . 1.0 . . . . . . . . . . . . A . 4 A N7 . . . . . . . . . rr_1ntq 1
. 1 . 90 . 1 1 3 A N9 N -0.049 -7.938 5.273 . . . 1.0 . . . . . . . . . . . . A . 4 A N9 . . . . . . . . . rr_1ntq 1
. 1 . 91 . 1 1 3 A O2' O -2.118 -10.235 3.352 . . . 1.0 . . . . . . . . . . . . A . 4 A O2' . . . . . . . . . rr_1ntq 1
. 1 . 92 . 1 1 3 A O3' O 0.006 -11.058 1.793 . . . 1.0 . . . . . . . . . . . . A . 4 A O3' . . . . . . . . . rr_1ntq 1
. 1 . 93 . 1 1 3 A O4' O 0.376 -10.332 5.331 . . . 1.0 . . . . . . . . . . . . A . 4 A O4' . . . . . . . . . rr_1ntq 1
. 1 . 94 . 1 1 3 A O5' O 3.038 -10.534 4.472 . . . 1.0 . . . . . . . . . . . . A . 4 A O5' . . . . . . . . . rr_1ntq 1
. 1 . 95 . 1 1 3 A OP1 O 5.223 -11.875 4.209 . . . 1.0 . . . . . . . . . . . . A . 4 A OP1 . . . . . . . . . rr_1ntq 1
. 1 . 96 . 1 1 3 A OP2 O 5.343 -9.470 4.874 . . . 1.0 . . . . . . . . . . . . A . 4 A OP2 . . . . . . . . . rr_1ntq 1
. 1 . 97 . 1 1 3 A P P 4.547 -10.767 5.020 . . . 1.0 . . . . . . . . . . . . A . 4 A P . . . . . . . . . rr_1ntq 1
. 1 . 98 . 1 1 4 G C1' C -4.146 -7.102 1.650 . . . 1.0 . . . . . . . . . . . . A . 5 G C1' . . . . . . . . . rr_1ntq 1
. 1 . 99 . 1 1 4 G C2 C -3.971 -2.662 3.004 . . . 1.0 . . . . . . . . . . . . A . 5 G C2 . . . . . . . . . rr_1ntq 1
. 1 . 100 . 1 1 4 G C2' C -4.824 -6.959 0.275 . . . 1.0 . . . . . . . . . . . . A . 5 G C2' . . . . . . . . . rr_1ntq 1
. 1 . 101 . 1 1 4 G C3' C -4.138 -8.039 -0.568 . . . 1.0 . . . . . . . . . . . . A . 5 G C3' . . . . . . . . . rr_1ntq 1
. 1 . 102 . 1 1 4 G C4 C -3.095 -4.786 2.275 . . . 1.0 . . . . . . . . . . . . A . 5 G C4 . . . . . . . . . rr_1ntq 1
. 1 . 103 . 1 1 4 G C4' C -3.920 -9.144 0.476 . . . 1.0 . . . . . . . . . . . . A . 5 G C4' . . . . . . . . . rr_1ntq 1
. 1 . 104 . 1 1 4 G C5 C -1.755 -4.268 2.296 . . . 1.0 . . . . . . . . . . . . A . 5 G C5 . . . . . . . . . rr_1ntq 1
. 1 . 105 . 1 1 4 G C5' C -2.806 -10.153 0.144 . . . 1.0 . . . . . . . . . . . . A . 5 G C5' . . . . . . . . . rr_1ntq 1
. 1 . 106 . 1 1 4 G C6 C -1.503 -2.809 2.751 . . . 1.0 . . . . . . . . . . . . A . 5 G C6 . . . . . . . . . rr_1ntq 1
. 1 . 107 . 1 1 4 G C8 C -1.674 -6.207 1.590 . . . 1.0 . . . . . . . . . . . . A . 5 G C8 . . . . . . . . . rr_1ntq 1
. 1 . 108 . 1 1 4 G H1 H -2.445 -1.133 3.368 . . . 1.0 . . . . . . . . . . . . A . 5 G H1 . . . . . . . . . rr_1ntq 1
. 1 . 109 . 1 1 4 G H1' H -4.891 -6.956 2.456 . . . 1.0 . . . . . . . . . . . . A . 5 G H1' . . . . . . . . . rr_1ntq 1
. 1 . 110 . 1 1 4 G H2' H -4.696 -5.959 -0.173 . . . 1.0 . . . . . . . . . . . . A . 5 G H2' . . . . . . . . . rr_1ntq 1
. 1 . 111 . 1 1 4 G H21 H -4.890 -0.858 3.536 . . . 1.0 . . . . . . . . . . . . A . 5 G H21 . . . . . . . . . rr_1ntq 1
. 1 . 112 . 1 1 4 G H22 H -6.000 -2.236 3.195 . . . 1.0 . . . . . . . . . . . . A . 5 G H22 . . . . . . . . . rr_1ntq 1
. 1 . 113 . 1 1 4 G H3' H -3.159 -7.667 -0.933 . . . 1.0 . . . . . . . . . . . . A . 5 G H3' . . . . . . . . . rr_1ntq 1
. 1 . 114 . 1 1 4 G H4' H -4.867 -9.706 0.595 . . . 1.0 . . . . . . . . . . . . A . 5 G H4' . . . . . . . . . rr_1ntq 1
. 1 . 115 . 1 1 4 G H5' H -2.866 -11.011 0.839 . . . 1.0 . . . . . . . . . . . . A . 5 G H5' . . . . . . . . . rr_1ntq 1
. 1 . 116 . 1 1 4 G H5'' H -2.958 -10.576 -0.868 . . . 1.0 . . . . . . . . . . . . A . 5 G H5'' . . . . . . . . . rr_1ntq 1
. 1 . 117 . 1 1 4 G H8 H -1.276 -7.113 1.153 . . . 1.0 . . . . . . . . . . . . A . 5 G H8 . . . . . . . . . rr_1ntq 1
. 1 . 118 . 1 1 4 G HO2' H -6.460 -7.610 -0.465 . . . 1.0 . . . . . . . . . . . . A . 5 G HO2' . . . . . . . . . rr_1ntq 1
. 1 . 119 . 1 1 4 G N1 N -2.617 -2.104 3.088 . . . 1.0 . . . . . . . . . . . . A . 5 G N1 . . . . . . . . . rr_1ntq 1
. 1 . 120 . 1 1 4 G N2 N -5.062 -1.835 3.270 . . . 1.0 . . . . . . . . . . . . A . 5 G N2 . . . . . . . . . rr_1ntq 1
. 1 . 121 . 1 1 4 G N3 N -4.167 -3.892 2.659 . . . 1.0 . . . . . . . . . . . . A . 5 G N3 . . . . . . . . . rr_1ntq 1
. 1 . 122 . 1 1 4 G N7 N -0.809 -5.172 1.857 . . . 1.0 . . . . . . . . . . . . A . 5 G N7 . . . . . . . . . rr_1ntq 1
. 1 . 123 . 1 1 4 G N9 N -3.039 -6.105 1.832 . . . 1.0 . . . . . . . . . . . . A . 5 G N9 . . . . . . . . . rr_1ntq 1
. 1 . 124 . 1 1 4 G O2' O -6.219 -7.238 0.388 . . . 1.0 . . . . . . . . . . . . A . 5 G O2' . . . . . . . . . rr_1ntq 1
. 1 . 125 . 1 1 4 G O3' O -4.961 -8.487 -1.664 . . . 1.0 . . . . . . . . . . . . A . 5 G O3' . . . . . . . . . rr_1ntq 1
. 1 . 126 . 1 1 4 G O4' O -3.644 -8.458 1.717 . . . 1.0 . . . . . . . . . . . . A . 5 G O4' . . . . . . . . . rr_1ntq 1
. 1 . 127 . 1 1 4 G O5' O -1.505 -9.544 0.226 . . . 1.0 . . . . . . . . . . . . A . 5 G O5' . . . . . . . . . rr_1ntq 1
. 1 . 128 . 1 1 4 G O6 O -0.387 -2.297 2.805 . . . 1.0 . . . . . . . . . . . . A . 5 G O6 . . . . . . . . . rr_1ntq 1
. 1 . 129 . 1 1 4 G OP1 O -0.183 -11.543 -0.723 . . . 1.0 . . . . . . . . . . . . A . 5 G OP1 . . . . . . . . . rr_1ntq 1
. 1 . 130 . 1 1 4 G OP2 O 1.057 -9.507 0.026 . . . 1.0 . . . . . . . . . . . . A . 5 G OP2 . . . . . . . . . rr_1ntq 1
. 1 . 131 . 1 1 4 G P P -0.139 -10.415 0.310 . . . 1.0 . . . . . . . . . . . . A . 5 G P . . . . . . . . . rr_1ntq 1
. 1 . 132 . 1 1 5 G C1' C -6.224 -2.997 -1.011 . . . 1.0 . . . . . . . . . . . . A . 6 G C1' . . . . . . . . . rr_1ntq 1
. 1 . 133 . 1 1 5 G C2 C -3.432 0.423 0.371 . . . 1.0 . . . . . . . . . . . . A . 6 G C2 . . . . . . . . . rr_1ntq 1
. 1 . 134 . 1 1 5 G C2' C -6.898 -2.346 -2.233 . . . 1.0 . . . . . . . . . . . . A . 6 G C2' . . . . . . . . . rr_1ntq 1
. 1 . 135 . 1 1 5 G C3' C -7.063 -3.517 -3.205 . . . 1.0 . . . . . . . . . . . . A . 6 G C3' . . . . . . . . . rr_1ntq 1
. 1 . 136 . 1 1 5 G C4 C -3.988 -1.724 -0.565 . . . 1.0 . . . . . . . . . . . . A . 6 G C4 . . . . . . . . . rr_1ntq 1
. 1 . 137 . 1 1 5 G C4' C -7.347 -4.675 -2.238 . . . 1.0 . . . . . . . . . . . . A . 6 G C4' . . . . . . . . . rr_1ntq 1
. 1 . 138 . 1 1 5 G C5 C -2.597 -2.039 -0.738 . . . 1.0 . . . . . . . . . . . . A . 6 G C5 . . . . . . . . . rr_1ntq 1
. 1 . 139 . 1 1 5 G C5' C -7.038 -6.082 -2.780 . . . 1.0 . . . . . . . . . . . . A . 6 G C5' . . . . . . . . . rr_1ntq 1
. 1 . 140 . 1 1 5 G C6 C -1.517 -1.025 -0.278 . . . 1.0 . . . . . . . . . . . . A . 6 G C6 . . . . . . . . . rr_1ntq 1
. 1 . 141 . 1 1 5 G C8 C -3.707 -3.628 -1.458 . . . 1.0 . . . . . . . . . . . . A . 6 G C8 . . . . . . . . . rr_1ntq 1
. 1 . 142 . 1 1 5 G H1 H -1.283 0.809 0.530 . . . 1.0 . . . . . . . . . . . . A . 6 G H1 . . . . . . . . . rr_1ntq 1
. 1 . 143 . 1 1 5 G H1' H -6.632 -2.560 -0.078 . . . 1.0 . . . . . . . . . . . . A . 6 G H1' . . . . . . . . . rr_1ntq 1
. 1 . 144 . 1 1 5 G H2' H -6.299 -1.533 -2.679 . . . 1.0 . . . . . . . . . . . . A . 6 G H2' . . . . . . . . . rr_1ntq 1
. 1 . 145 . 1 1 5 G H21 H -3.120 2.346 1.126 . . . 1.0 . . . . . . . . . . . . A . 6 G H21 . . . . . . . . . rr_1ntq 1
. 1 . 146 . 1 1 5 G H22 H -4.841 1.838 0.963 . . . 1.0 . . . . . . . . . . . . A . 6 G H22 . . . . . . . . . rr_1ntq 1
. 1 . 147 . 1 1 5 G H3' H -6.110 -3.699 -3.743 . . . 1.0 . . . . . . . . . . . . A . 6 G H3' . . . . . . . . . rr_1ntq 1
. 1 . 148 . 1 1 5 G H4' H -8.418 -4.645 -1.958 . . . 1.0 . . . . . . . . . . . . A . 6 G H4' . . . . . . . . . rr_1ntq 1
. 1 . 149 . 1 1 5 G H5' H -7.433 -6.836 -2.074 . . . 1.0 . . . . . . . . . . . . A . 6 G H5' . . . . . . . . . rr_1ntq 1
. 1 . 150 . 1 1 5 G H5'' H -7.572 -6.253 -3.735 . . . 1.0 . . . . . . . . . . . . A . 6 G H5'' . . . . . . . . . rr_1ntq 1
. 1 . 151 . 1 1 5 G H8 H -3.943 -4.573 -1.929 . . . 1.0 . . . . . . . . . . . . A . 6 G H8 . . . . . . . . . rr_1ntq 1
. 1 . 152 . 1 1 5 G HO2' H -8.717 -1.951 -2.655 . . . 1.0 . . . . . . . . . . . . A . 6 G HO2' . . . . . . . . . rr_1ntq 1
. 1 . 153 . 1 1 5 G N1 N -2.001 0.132 0.250 . . . 1.0 . . . . . . . . . . . . A . 6 G N1 . . . . . . . . . rr_1ntq 1
. 1 . 154 . 1 1 5 G N2 N -3.837 1.658 0.871 . . . 1.0 . . . . . . . . . . . . A . 6 G N2 . . . . . . . . . rr_1ntq 1
. 1 . 155 . 1 1 5 G N3 N -4.322 -0.440 0.008 . . . 1.0 . . . . . . . . . . . . A . 6 G N3 . . . . . . . . . rr_1ntq 1
. 1 . 156 . 1 1 5 G N7 N -2.384 -3.273 -1.319 . . . 1.0 . . . . . . . . . . . . A . 6 G N7 . . . . . . . . . rr_1ntq 1
. 1 . 157 . 1 1 5 G N9 N -4.737 -2.802 -1.021 . . . 1.0 . . . . . . . . . . . . A . 6 G N9 . . . . . . . . . rr_1ntq 1
. 1 . 158 . 1 1 5 G O2' O -8.176 -1.828 -1.869 . . . 1.0 . . . . . . . . . . . . A . 6 G O2' . . . . . . . . . rr_1ntq 1
. 1 . 159 . 1 1 5 G O3' O -8.149 -3.310 -4.133 . . . 1.0 . . . . . . . . . . . . A . 6 G O3' . . . . . . . . . rr_1ntq 1
. 1 . 160 . 1 1 5 G O4' O -6.569 -4.399 -1.055 . . . 1.0 . . . . . . . . . . . . A . 6 G O4' . . . . . . . . . rr_1ntq 1
. 1 . 161 . 1 1 5 G O5' O -5.625 -6.279 -2.973 . . . 1.0 . . . . . . . . . . . . A . 6 G O5' . . . . . . . . . rr_1ntq 1
. 1 . 162 . 1 1 5 G O6 O -0.307 -1.225 -0.368 . . . 1.0 . . . . . . . . . . . . A . 6 G O6 . . . . . . . . . rr_1ntq 1
. 1 . 163 . 1 1 5 G OP1 O -5.785 -8.593 -4.093 . . . 1.0 . . . . . . . . . . . . A . 6 G OP1 . . . . . . . . . rr_1ntq 1
. 1 . 164 . 1 1 5 G OP2 O -3.531 -7.621 -3.624 . . . 1.0 . . . . . . . . . . . . A . 6 G OP2 . . . . . . . . . rr_1ntq 1
. 1 . 165 . 1 1 5 G P P -4.966 -7.752 -3.112 . . . 1.0 . . . . . . . . . . . . A . 6 G P . . . . . . . . . rr_1ntq 1
. 1 . 166 . 1 1 6 A C1' C -5.865 1.838 -3.247 . . . 1.0 . . . . . . . . . . . . A . 7 A C1' . . . . . . . . . rr_1ntq 1
. 1 . 167 . 1 1 6 A C2 C -1.366 2.638 -2.433 . . . 1.0 . . . . . . . . . . . . A . 7 A C2 . . . . . . . . . rr_1ntq 1
. 1 . 168 . 1 1 6 A C2' C -6.178 2.859 -4.357 . . . 1.0 . . . . . . . . . . . . A . 7 A C2' . . . . . . . . . rr_1ntq 1
. 1 . 169 . 1 1 6 A C3' C -7.116 2.080 -5.285 . . . 1.0 . . . . . . . . . . . . A . 7 A C3' . . . . . . . . . rr_1ntq 1
. 1 . 170 . 1 1 6 A C4 C -3.272 1.492 -3.191 . . . 1.0 . . . . . . . . . . . . A . 7 A C4 . . . . . . . . . rr_1ntq 1
. 1 . 171 . 1 1 6 A C4' C -7.911 1.243 -4.272 . . . 1.0 . . . . . . . . . . . . A . 7 A C4' . . . . . . . . . rr_1ntq 1
. 1 . 172 . 1 1 6 A C5 C -2.376 0.433 -3.640 . . . 1.0 . . . . . . . . . . . . A . 7 A C5 . . . . . . . . . rr_1ntq 1
. 1 . 173 . 1 1 6 A C5' C -8.570 -0.029 -4.834 . . . 1.0 . . . . . . . . . . . . A . 7 A C5' . . . . . . . . . rr_1ntq 1
. 1 . 174 . 1 1 6 A C6 C -0.960 0.610 -3.397 . . . 1.0 . . . . . . . . . . . . A . 7 A C6 . . . . . . . . . rr_1ntq 1
. 1 . 175 . 1 1 6 A C8 C -4.323 -0.103 -4.127 . . . 1.0 . . . . . . . . . . . . A . 7 A C8 . . . . . . . . . rr_1ntq 1
. 1 . 176 . 1 1 6 A H1' H -5.797 2.351 -2.267 . . . 1.0 . . . . . . . . . . . . A . 7 A H1' . . . . . . . . . rr_1ntq 1
. 1 . 177 . 1 1 6 A H2 H -0.922 3.510 -1.975 . . . 1.0 . . . . . . . . . . . . A . 7 A H2 . . . . . . . . . rr_1ntq 1
. 1 . 178 . 1 1 6 A H2' H -5.279 3.209 -4.893 . . . 1.0 . . . . . . . . . . . . A . 7 A H2' . . . . . . . . . rr_1ntq 1
. 1 . 179 . 1 1 6 A H3' H -6.524 1.410 -5.942 . . . 1.0 . . . . . . . . . . . . A . 7 A H3' . . . . . . . . . rr_1ntq 1
. 1 . 180 . 1 1 6 A H4' H -8.710 1.878 -3.840 . . . 1.0 . . . . . . . . . . . . A . 7 A H4' . . . . . . . . . rr_1ntq 1
. 1 . 181 . 1 1 6 A H5' H -9.211 -0.480 -4.054 . . . 1.0 . . . . . . . . . . . . A . 7 A H5' . . . . . . . . . rr_1ntq 1
. 1 . 182 . 1 1 6 A H5'' H -9.246 0.228 -5.672 . . . 1.0 . . . . . . . . . . . . A . 7 A H5'' . . . . . . . . . rr_1ntq 1
. 1 . 183 . 1 1 6 A H61 H 0.908 -0.124 -3.499 . . . 1.0 . . . . . . . . . . . . A . 7 A H61 . . . . . . . . . rr_1ntq 1
. 1 . 184 . 1 1 6 A H62 H -0.444 -1.157 -4.194 . . . 1.0 . . . . . . . . . . . . A . 7 A H62 . . . . . . . . . rr_1ntq 1
. 1 . 185 . 1 1 6 A H8 H -5.145 -0.667 -4.546 . . . 1.0 . . . . . . . . . . . . A . 7 A H8 . . . . . . . . . rr_1ntq 1
. 1 . 186 . 1 1 6 A HO2' H -7.394 4.323 -4.529 . . . 1.0 . . . . . . . . . . . . A . 7 A HO2' . . . . . . . . . rr_1ntq 1
. 1 . 187 . 1 1 6 A N1 N -0.519 1.701 -2.801 . . . 1.0 . . . . . . . . . . . . A . 7 A N1 . . . . . . . . . rr_1ntq 1
. 1 . 188 . 1 1 6 A N3 N -2.668 2.665 -2.552 . . . 1.0 . . . . . . . . . . . . A . 7 A N3 . . . . . . . . . rr_1ntq 1
. 1 . 189 . 1 1 6 A N6 N -0.072 -0.311 -3.749 . . . 1.0 . . . . . . . . . . . . A . 7 A N6 . . . . . . . . . rr_1ntq 1
. 1 . 190 . 1 1 6 A N7 N -3.051 -0.615 -4.252 . . . 1.0 . . . . . . . . . . . . A . 7 A N7 . . . . . . . . . rr_1ntq 1
. 1 . 191 . 1 1 6 A N9 N -4.576 1.115 -3.502 . . . 1.0 . . . . . . . . . . . . A . 7 A N9 . . . . . . . . . rr_1ntq 1
. 1 . 192 . 1 1 6 A O2' O -6.853 3.988 -3.807 . . . 1.0 . . . . . . . . . . . . A . 7 A O2' . . . . . . . . . rr_1ntq 1
. 1 . 193 . 1 1 6 A O3' O -7.966 2.942 -6.068 . . . 1.0 . . . . . . . . . . . . A . 7 A O3' . . . . . . . . . rr_1ntq 1
. 1 . 194 . 1 1 6 A O4' O -6.980 0.918 -3.217 . . . 1.0 . . . . . . . . . . . . A . 7 A O4' . . . . . . . . . rr_1ntq 1
. 1 . 195 . 1 1 6 A O5' O -7.590 -0.985 -5.280 . . . 1.0 . . . . . . . . . . . . A . 7 A O5' . . . . . . . . . rr_1ntq 1
. 1 . 196 . 1 1 6 A OP1 O -9.252 -2.637 -6.351 . . . 1.0 . . . . . . . . . . . . A . 7 A OP1 . . . . . . . . . rr_1ntq 1
. 1 . 197 . 1 1 6 A OP2 O -6.818 -3.199 -6.334 . . . 1.0 . . . . . . . . . . . . A . 7 A OP2 . . . . . . . . . rr_1ntq 1
. 1 . 198 . 1 1 6 A P P -7.952 -2.542 -5.548 . . . 1.0 . . . . . . . . . . . . A . 7 A P . . . . . . . . . rr_1ntq 1
. 1 . 199 . 1 1 7 G C1' C -3.241 6.094 -5.312 . . . 1.0 . . . . . . . . . . . . A . 8 G C1' . . . . . . . . . rr_1ntq 1
. 1 . 200 . 1 1 7 G C2 C 1.202 4.800 -5.095 . . . 1.0 . . . . . . . . . . . . A . 8 G C2 . . . . . . . . . rr_1ntq 1
. 1 . 201 . 1 1 7 G C2' C -3.089 7.234 -6.338 . . . 1.0 . . . . . . . . . . . . A . 8 G C2' . . . . . . . . . rr_1ntq 1
. 1 . 202 . 1 1 7 G C3' C -4.361 7.109 -7.182 . . . 1.0 . . . . . . . . . . . . A . 8 G C3' . . . . . . . . . rr_1ntq 1
. 1 . 203 . 1 1 7 G C4 C -1.143 4.556 -5.583 . . . 1.0 . . . . . . . . . . . . A . 8 G C4 . . . . . . . . . rr_1ntq 1
. 1 . 204 . 1 1 7 G C4' C -5.381 6.684 -6.115 . . . 1.0 . . . . . . . . . . . . A . 8 G C4' . . . . . . . . . rr_1ntq 1
. 1 . 205 . 1 1 7 G C5 C -0.921 3.241 -6.119 . . . 1.0 . . . . . . . . . . . . A . 8 G C5 . . . . . . . . . rr_1ntq 1
. 1 . 206 . 1 1 7 G C5' C -6.644 5.983 -6.645 . . . 1.0 . . . . . . . . . . . . A . 8 G C5' . . . . . . . . . rr_1ntq 1
. 1 . 207 . 1 1 7 G C6 C 0.508 2.637 -6.106 . . . 1.0 . . . . . . . . . . . . A . 8 G C6 . . . . . . . . . rr_1ntq 1
. 1 . 208 . 1 1 7 G C8 C -2.919 3.708 -6.378 . . . 1.0 . . . . . . . . . . . . A . 8 G C8 . . . . . . . . . rr_1ntq 1
. 1 . 209 . 1 1 7 G H1 H 2.421 3.058 -5.617 . . . 1.0 . . . . . . . . . . . . A . 8 G H1 . . . . . . . . . rr_1ntq 1
. 1 . 210 . 1 1 7 G H1' H -2.862 6.423 -4.324 . . . 1.0 . . . . . . . . . . . . A . 8 G H1' . . . . . . . . . rr_1ntq 1
. 1 . 211 . 1 1 7 G H2' H -2.180 7.145 -6.956 . . . 1.0 . . . . . . . . . . . . A . 8 G H2' . . . . . . . . . rr_1ntq 1
. 1 . 212 . 1 1 7 G H21 H 3.217 5.214 -4.722 . . . 1.0 . . . . . . . . . . . . A . 8 G H21 . . . . . . . . . rr_1ntq 1
. 1 . 213 . 1 1 7 G H22 H 2.056 6.531 -4.314 . . . 1.0 . . . . . . . . . . . . A . 8 G H22 . . . . . . . . . rr_1ntq 1
. 1 . 214 . 1 1 7 G H3' H -4.241 6.298 -7.931 . . . 1.0 . . . . . . . . . . . . A . 8 G H3' . . . . . . . . . rr_1ntq 1
. 1 . 215 . 1 1 7 G H4' H -5.704 7.586 -5.559 . . . 1.0 . . . . . . . . . . . . A . 8 G H4' . . . . . . . . . rr_1ntq 1
. 1 . 216 . 1 1 7 G H5' H -7.369 5.870 -5.818 . . . 1.0 . . . . . . . . . . . . A . 8 G H5' . . . . . . . . . rr_1ntq 1
. 1 . 217 . 1 1 7 G H5'' H -7.145 6.616 -7.402 . . . 1.0 . . . . . . . . . . . . A . 8 G H5'' . . . . . . . . . rr_1ntq 1
. 1 . 218 . 1 1 7 G H8 H -3.944 3.633 -6.714 . . . 1.0 . . . . . . . . . . . . A . 8 G H8 . . . . . . . . . rr_1ntq 1
. 1 . 219 . 1 1 7 G HO2' H -3.510 9.096 -6.282 . . . 1.0 . . . . . . . . . . . . A . 8 G HO2' . . . . . . . . . rr_1ntq 1
. 1 . 220 . 1 1 7 G N1 N 1.472 3.447 -5.590 . . . 1.0 . . . . . . . . . . . . A . 8 G N1 . . . . . . . . . rr_1ntq 1
. 1 . 221 . 1 1 7 G N2 N 2.266 5.595 -4.674 . . . 1.0 . . . . . . . . . . . . A . 8 G N2 . . . . . . . . . rr_1ntq 1
. 1 . 222 . 1 1 7 G N3 N 0.002 5.275 -5.071 . . . 1.0 . . . . . . . . . . . . A . 8 G N3 . . . . . . . . . rr_1ntq 1
. 1 . 223 . 1 1 7 G N7 N -2.061 2.665 -6.645 . . . 1.0 . . . . . . . . . . . . A . 8 G N7 . . . . . . . . . rr_1ntq 1
. 1 . 224 . 1 1 7 G N9 N -2.492 4.862 -5.728 . . . 1.0 . . . . . . . . . . . . A . 8 G N9 . . . . . . . . . rr_1ntq 1
. 1 . 225 . 1 1 7 G O2' O -3.066 8.497 -5.675 . . . 1.0 . . . . . . . . . . . . A . 8 G O2' . . . . . . . . . rr_1ntq 1
. 1 . 226 . 1 1 7 G O3' O -4.727 8.351 -7.818 . . . 1.0 . . . . . . . . . . . . A . 8 G O3' . . . . . . . . . rr_1ntq 1
. 1 . 227 . 1 1 7 G O4' O -4.658 5.831 -5.203 . . . 1.0 . . . . . . . . . . . . A . 8 G O4' . . . . . . . . . rr_1ntq 1
. 1 . 228 . 1 1 7 G O5' O -6.342 4.696 -7.214 . . . 1.0 . . . . . . . . . . . . A . 8 G O5' . . . . . . . . . rr_1ntq 1
. 1 . 229 . 1 1 7 G O6 O 0.783 1.517 -6.533 . . . 1.0 . . . . . . . . . . . . A . 8 G O6 . . . . . . . . . rr_1ntq 1
. 1 . 230 . 1 1 7 G OP1 O -8.693 4.239 -8.162 . . . 1.0 . . . . . . . . . . . . A . 8 G OP1 . . . . . . . . . rr_1ntq 1
. 1 . 231 . 1 1 7 G OP2 O -6.930 2.484 -8.384 . . . 1.0 . . . . . . . . . . . . A . 8 G OP2 . . . . . . . . . rr_1ntq 1
. 1 . 232 . 1 1 7 G P P -7.490 3.583 -7.482 . . . 1.0 . . . . . . . . . . . . A . 8 G P . . . . . . . . . rr_1ntq 1
. 1 . 233 . 1 1 8 G C1' C 0.955 8.356 -7.932 . . . 1.0 . . . . . . . . . . . . A . 9 G C1' . . . . . . . . . rr_1ntq 1
. 1 . 234 . 1 1 8 G C2 C 3.852 4.838 -8.720 . . . 1.0 . . . . . . . . . . . . A . 9 G C2 . . . . . . . . . rr_1ntq 1
. 1 . 235 . 1 1 8 G C2' C 1.563 9.301 -8.983 . . . 1.0 . . . . . . . . . . . . A . 9 G C2' . . . . . . . . . rr_1ntq 1
. 1 . 236 . 1 1 8 G C3' C 0.340 10.020 -9.560 . . . 1.0 . . . . . . . . . . . . A . 9 G C3' . . . . . . . . . rr_1ntq 1
. 1 . 237 . 1 1 8 G C4 C 1.725 5.958 -8.609 . . . 1.0 . . . . . . . . . . . . A . 9 G C4 . . . . . . . . . rr_1ntq 1
. 1 . 238 . 1 1 8 G C4' C -0.566 10.122 -8.323 . . . 1.0 . . . . . . . . . . . . A . 9 G C4' . . . . . . . . . rr_1ntq 1
. 1 . 239 . 1 1 8 G C5 C 1.047 4.770 -9.045 . . . 1.0 . . . . . . . . . . . . A . 9 G C5 . . . . . . . . . rr_1ntq 1
. 1 . 240 . 1 1 8 G C5' C -2.070 10.262 -8.613 . . . 1.0 . . . . . . . . . . . . A . 9 G C5' . . . . . . . . . rr_1ntq 1
. 1 . 241 . 1 1 8 G C6 C 1.856 3.471 -9.286 . . . 1.0 . . . . . . . . . . . . A . 9 G C6 . . . . . . . . . rr_1ntq 1
. 1 . 242 . 1 1 8 G C8 C -0.350 6.285 -8.902 . . . 1.0 . . . . . . . . . . . . A . 9 G C8 . . . . . . . . . rr_1ntq 1
. 1 . 243 . 1 1 8 G H1 H 3.729 2.728 -9.295 . . . 1.0 . . . . . . . . . . . . A . 9 G H1 . . . . . . . . . rr_1ntq 1
. 1 . 244 . 1 1 8 G H1' H 1.610 8.311 -7.040 . . . 1.0 . . . . . . . . . . . . A . 9 G H1' . . . . . . . . . rr_1ntq 1
. 1 . 245 . 1 1 8 G H2' H 2.129 8.773 -9.772 . . . 1.0 . . . . . . . . . . . . A . 9 G H2' . . . . . . . . . rr_1ntq 1
. 1 . 246 . 1 1 8 G H21 H 5.783 4.061 -8.939 . . . 1.0 . . . . . . . . . . . . A . 9 G H21 . . . . . . . . . rr_1ntq 1
. 1 . 247 . 1 1 8 G H22 H 5.680 5.786 -8.424 . . . 1.0 . . . . . . . . . . . . A . 9 G H22 . . . . . . . . . rr_1ntq 1
. 1 . 248 . 1 1 8 G H3' H -0.142 9.386 -10.332 . . . 1.0 . . . . . . . . . . . . A . 9 G H3' . . . . . . . . . rr_1ntq 1
. 1 . 249 . 1 1 8 G H4' H -0.249 10.997 -7.722 . . . 1.0 . . . . . . . . . . . . A . 9 G H4' . . . . . . . . . rr_1ntq 1
. 1 . 250 . 1 1 8 G H5' H -2.604 10.465 -7.666 . . . 1.0 . . . . . . . . . . . . A . 9 G H5' . . . . . . . . . rr_1ntq 1
. 1 . 251 . 1 1 8 G H5'' H -2.258 11.138 -9.263 . . . 1.0 . . . . . . . . . . . . A . 9 G H5'' . . . . . . . . . rr_1ntq 1
. 1 . 252 . 1 1 8 G H8 H -1.288 6.813 -9.001 . . . 1.0 . . . . . . . . . . . . A . 9 G H8 . . . . . . . . . rr_1ntq 1
. 1 . 253 . 1 1 8 G HO2' H 2.207 11.085 -8.766 . . . 1.0 . . . . . . . . . . . . A . 9 G HO2' . . . . . . . . . rr_1ntq 1
. 1 . 254 . 1 1 8 G N1 N 3.198 3.580 -9.092 . . . 1.0 . . . . . . . . . . . . A . 9 G N1 . . . . . . . . . rr_1ntq 1
. 1 . 255 . 1 1 8 G N2 N 5.245 4.898 -8.692 . . . 1.0 . . . . . . . . . . . . A . 9 G N2 . . . . . . . . . rr_1ntq 1
. 1 . 256 . 1 1 8 G N3 N 3.162 5.898 -8.461 . . . 1.0 . . . . . . . . . . . . A . 9 G N3 . . . . . . . . . rr_1ntq 1
. 1 . 257 . 1 1 8 G N7 N -0.305 4.955 -9.253 . . . 1.0 . . . . . . . . . . . . A . 9 G N7 . . . . . . . . . rr_1ntq 1
. 1 . 258 . 1 1 8 G N9 N 0.781 6.966 -8.465 . . . 1.0 . . . . . . . . . . . . A . 9 G N9 . . . . . . . . . rr_1ntq 1
. 1 . 259 . 1 1 8 G O2' O 2.424 10.245 -8.348 . . . 1.0 . . . . . . . . . . . . A . 9 G O2' . . . . . . . . . rr_1ntq 1
. 1 . 260 . 1 1 8 G O3' O 0.685 11.317 -10.091 . . . 1.0 . . . . . . . . . . . . A . 9 G O3' . . . . . . . . . rr_1ntq 1
. 1 . 261 . 1 1 8 G O4' O -0.312 8.932 -7.546 . . . 1.0 . . . . . . . . . . . . A . 9 G O4' . . . . . . . . . rr_1ntq 1
. 1 . 262 . 1 1 8 G O5' O -2.602 9.075 -9.231 . . . 1.0 . . . . . . . . . . . . A . 9 G O5' . . . . . . . . . rr_1ntq 1
. 1 . 263 . 1 1 8 G O6 O 1.351 2.409 -9.643 . . . 1.0 . . . . . . . . . . . . A . 9 G O6 . . . . . . . . . rr_1ntq 1
. 1 . 264 . 1 1 8 G OP1 O -4.937 10.020 -9.758 . . . 1.0 . . . . . . . . . . . . A . 9 G OP1 . . . . . . . . . rr_1ntq 1
. 1 . 265 . 1 1 8 G OP2 O -4.447 7.626 -10.277 . . . 1.0 . . . . . . . . . . . . A . 9 G OP2 . . . . . . . . . rr_1ntq 1
. 1 . 266 . 1 1 8 G P P -4.191 8.768 -9.293 . . . 1.0 . . . . . . . . . . . . A . 9 G P . . . . . . . . . rr_1ntq 1
. 1 . 267 . 1 1 9 A C1' C 4.630 7.419 -11.857 . . . 1.0 . . . . . . . . . . . . A . 10 A C1' . . . . . . . . . rr_1ntq 1
. 1 . 268 . 1 1 9 A C2 C 3.604 2.984 -12.745 . . . 1.0 . . . . . . . . . . . . A . 10 A C2 . . . . . . . . . rr_1ntq 1
. 1 . 269 . 1 1 9 A C2' C 5.335 7.906 -13.143 . . . 1.0 . . . . . . . . . . . . A . 10 A C2' . . . . . . . . . rr_1ntq 1
. 1 . 270 . 1 1 9 A C3' C 4.855 9.356 -13.257 . . . 1.0 . . . . . . . . . . . . A . 10 A C3' . . . . . . . . . rr_1ntq 1
. 1 . 271 . 1 1 9 A C4 C 3.232 5.281 -12.413 . . . 1.0 . . . . . . . . . . . . A . 10 A C4 . . . . . . . . . rr_1ntq 1
. 1 . 272 . 1 1 9 A C4' C 4.733 9.779 -11.786 . . . 1.0 . . . . . . . . . . . . A . 10 A C4' . . . . . . . . . rr_1ntq 1
. 1 . 273 . 1 1 9 A C5 C 1.814 5.016 -12.626 . . . 1.0 . . . . . . . . . . . . A . 10 A C5 . . . . . . . . . rr_1ntq 1
. 1 . 274 . 1 1 9 A C5' C 3.754 10.937 -11.518 . . . 1.0 . . . . . . . . . . . . A . 10 A C5' . . . . . . . . . rr_1ntq 1
. 1 . 275 . 1 1 9 A C6 C 1.424 3.644 -12.886 . . . 1.0 . . . . . . . . . . . . A . 10 A C6 . . . . . . . . . rr_1ntq 1
. 1 . 276 . 1 1 9 A C8 C 2.056 7.048 -12.248 . . . 1.0 . . . . . . . . . . . . A . 10 A C8 . . . . . . . . . rr_1ntq 1
. 1 . 277 . 1 1 9 A H1' H 5.313 6.778 -11.265 . . . 1.0 . . . . . . . . . . . . A . 10 A H1' . . . . . . . . . rr_1ntq 1
. 1 . 278 . 1 1 9 A H2 H 4.286 2.147 -12.787 . . . 1.0 . . . . . . . . . . . . A . 10 A H2 . . . . . . . . . rr_1ntq 1
. 1 . 279 . 1 1 9 A H2' H 5.056 7.323 -14.042 . . . 1.0 . . . . . . . . . . . . A . 10 A H2' . . . . . . . . . rr_1ntq 1
. 1 . 280 . 1 1 9 A H3' H 3.859 9.365 -13.743 . . . 1.0 . . . . . . . . . . . . A . 10 A H3' . . . . . . . . . rr_1ntq 1
. 1 . 281 . 1 1 9 A H4' H 5.733 10.071 -11.409 . . . 1.0 . . . . . . . . . . . . A . 10 A H4' . . . . . . . . . rr_1ntq 1
. 1 . 282 . 1 1 9 A H5' H 3.742 11.165 -10.437 . . . 1.0 . . . . . . . . . . . . A . 10 A H5' . . . . . . . . . rr_1ntq 1
. 1 . 283 . 1 1 9 A H5'' H 4.103 11.860 -12.019 . . . 1.0 . . . . . . . . . . . . A . 10 A H5'' . . . . . . . . . rr_1ntq 1
. 1 . 284 . 1 1 9 A H61 H -0.029 2.299 -13.192 . . . 1.0 . . . . . . . . . . . . A . 10 A H61 . . . . . . . . . rr_1ntq 1
. 1 . 285 . 1 1 9 A H62 H -0.540 4.050 -12.970 . . . 1.0 . . . . . . . . . . . . A . 10 A H62 . . . . . . . . . rr_1ntq 1
. 1 . 286 . 1 1 9 A H8 H 1.807 8.090 -12.102 . . . 1.0 . . . . . . . . . . . . A . 10 A H8 . . . . . . . . . rr_1ntq 1
. 1 . 287 . 1 1 9 A HO2' H 6.974 6.910 -12.894 . . . 1.0 . . . . . . . . . . . . A . 10 A HO2' . . . . . . . . . rr_1ntq 1
. 1 . 288 . 1 1 9 A HO3' H 5.348 11.060 -14.005 . . . 1.0 . . . . . . . . . . . . A . 10 A HO3' . . . . . . . . . rr_1ntq 1
. 1 . 289 . 1 1 9 A N1 N 2.335 2.691 -12.937 . . . 1.0 . . . . . . . . . . . . A . 10 A N1 . . . . . . . . . rr_1ntq 1
. 1 . 290 . 1 1 9 A N3 N 4.154 4.145 -12.495 . . . 1.0 . . . . . . . . . . . . A . 10 A N3 . . . . . . . . . rr_1ntq 1
. 1 . 291 . 1 1 9 A N6 N 0.154 3.299 -13.058 . . . 1.0 . . . . . . . . . . . . A . 10 A N6 . . . . . . . . . rr_1ntq 1
. 1 . 292 . 1 1 9 A N7 N 1.036 6.162 -12.523 . . . 1.0 . . . . . . . . . . . . A . 10 A N7 . . . . . . . . . rr_1ntq 1
. 1 . 293 . 1 1 9 A N9 N 3.384 6.640 -12.156 . . . 1.0 . . . . . . . . . . . . A . 10 A N9 . . . . . . . . . rr_1ntq 1
. 1 . 294 . 1 1 9 A O2' O 6.752 7.841 -12.970 . . . 1.0 . . . . . . . . . . . . A . 10 A O2' . . . . . . . . . rr_1ntq 1
. 1 . 295 . 1 1 9 A O3' O 5.751 10.188 -13.989 . . . 1.0 . . . . . . . . . . . . A . 10 A O3' . . . . . . . . . rr_1ntq 1
. 1 . 296 . 1 1 9 A O4' O 4.321 8.595 -11.077 . . . 1.0 . . . . . . . . . . . . A . 10 A O4' . . . . . . . . . rr_1ntq 1
. 1 . 297 . 1 1 9 A O5' O 2.426 10.615 -11.971 . . . 1.0 . . . . . . . . . . . . A . 10 A O5' . . . . . . . . . rr_1ntq 1
. 1 . 298 . 1 1 9 A OP1 O 1.481 13.005 -11.861 . . . 1.0 . . . . . . . . . . . . A . 10 A OP1 . . . . . . . . . rr_1ntq 1
. 1 . 299 . 1 1 9 A OP2 O -0.015 11.133 -12.563 . . . 1.0 . . . . . . . . . . . . A . 10 A OP2 . . . . . . . . . rr_1ntq 1
. 1 . 300 . 1 1 9 A P P 1.133 11.532 -11.636 . . . 1.0 . . . . . . . . . . . . A . 10 A P . . . . . . . . . rr_1ntq 1
. 1 . 301 . 2 2 1 DC C1' C 8.140 0.039 -10.429 . . . 1.0 . . . . . . . . . . . . B . 1 DC C1' . . . . . . . . . rr_1ntq 1
. 1 . 302 . 2 2 1 DC C2 C 5.833 0.999 -10.203 . . . 1.0 . . . . . . . . . . . . B . 1 DC C2 . . . . . . . . . rr_1ntq 1
. 1 . 303 . 2 2 1 DC C2' C 8.984 0.230 -9.160 . . . 1.0 . . . . . . . . . . . . B . 1 DC C2' . . . . . . . . . rr_1ntq 1
. 1 . 304 . 2 2 1 DC C3' C 9.634 -1.134 -8.934 . . . 1.0 . . . . . . . . . . . . B . 1 DC C3' . . . . . . . . . rr_1ntq 1
. 1 . 305 . 2 2 1 DC C4 C 3.924 -0.394 -9.665 . . . 1.0 . . . . . . . . . . . . B . 1 DC C4 . . . . . . . . . rr_1ntq 1
. 1 . 306 . 2 2 1 DC C4' C 9.833 -1.602 -10.380 . . . 1.0 . . . . . . . . . . . . B . 1 DC C4' . . . . . . . . . rr_1ntq 1
. 1 . 307 . 2 2 1 DC C5 C 4.724 -1.500 -9.556 . . . 1.0 . . . . . . . . . . . . B . 1 DC C5 . . . . . . . . . rr_1ntq 1
. 1 . 308 . 2 2 1 DC C5' C 10.001 -3.122 -10.556 . . . 1.0 . . . . . . . . . . . . B . 1 DC C5' . . . . . . . . . rr_1ntq 1
. 1 . 309 . 2 2 1 DC C6 C 6.069 -1.419 -9.770 . . . 1.0 . . . . . . . . . . . . B . 1 DC C6 . . . . . . . . . rr_1ntq 1
. 1 . 310 . 2 2 1 DC H1' H 8.313 0.903 -11.102 . . . 1.0 . . . . . . . . . . . . B . 1 DC H1' . . . . . . . . . rr_1ntq 1
. 1 . 311 . 2 2 1 DC H2' H 8.407 0.574 -8.284 . . . 1.0 . . . . . . . . . . . . B . 1 DC H2' . . . . . . . . . rr_1ntq 1
. 1 . 312 . 2 2 1 DC H2'' H 9.761 0.997 -9.338 . . . 1.0 . . . . . . . . . . . . B . 1 DC H2'' . . . . . . . . . rr_1ntq 1
. 1 . 313 . 2 2 1 DC H3' H 8.933 -1.809 -8.402 . . . 1.0 . . . . . . . . . . . . B . 1 DC H3' . . . . . . . . . rr_1ntq 1
. 1 . 314 . 2 2 1 DC H4' H 10.732 -1.104 -10.796 . . . 1.0 . . . . . . . . . . . . B . 1 DC H4' . . . . . . . . . rr_1ntq 1
. 1 . 315 . 2 2 1 DC H41 H 1.972 0.355 -9.514 . . . 1.0 . . . . . . . . . . . . B . 1 DC H41 . . . . . . . . . rr_1ntq 1
. 1 . 316 . 2 2 1 DC H42 H 2.130 -1.406 -9.195 . . . 1.0 . . . . . . . . . . . . B . 1 DC H42 . . . . . . . . . rr_1ntq 1
. 1 . 317 . 2 2 1 DC H5 H 4.297 -2.468 -9.292 . . . 1.0 . . . . . . . . . . . . B . 1 DC H5 . . . . . . . . . rr_1ntq 1
. 1 . 318 . 2 2 1 DC H5' H 10.300 -3.347 -11.597 . . . 1.0 . . . . . . . . . . . . B . 1 DC H5' . . . . . . . . . rr_1ntq 1
. 1 . 319 . 2 2 1 DC H5'' H 10.818 -3.500 -9.913 . . . 1.0 . . . . . . . . . . . . B . 1 DC H5'' . . . . . . . . . rr_1ntq 1
. 1 . 320 . 2 2 1 DC H6 H 6.693 -2.306 -9.670 . . . 1.0 . . . . . . . . . . . . B . 1 DC H6 . . . . . . . . . rr_1ntq 1
. 1 . 321 . 2 2 1 DC HO5' H 8.118 -3.399 -10.804 . . . 1.0 . . . . . . . . . . . . B . 1 DC HO5' . . . . . . . . . rr_1ntq 1
. 1 . 322 . 2 2 1 DC N1 N 6.679 -0.103 -10.144 . . . 1.0 . . . . . . . . . . . . B . 1 DC N1 . . . . . . . . . rr_1ntq 1
. 1 . 323 . 2 2 1 DC N3 N 4.401 0.776 -9.959 . . . 1.0 . . . . . . . . . . . . B . 1 DC N3 . . . . . . . . . rr_1ntq 1
. 1 . 324 . 2 2 1 DC N4 N 2.537 -0.502 -9.455 . . . 1.0 . . . . . . . . . . . . B . 1 DC N4 . . . . . . . . . rr_1ntq 1
. 1 . 325 . 2 2 1 DC O2 O 6.264 2.127 -10.449 . . . 1.0 . . . . . . . . . . . . B . 1 DC O2 . . . . . . . . . rr_1ntq 1
. 1 . 326 . 2 2 1 DC O3' O 10.881 -1.028 -8.225 . . . 1.0 . . . . . . . . . . . . B . 1 DC O3' . . . . . . . . . rr_1ntq 1
. 1 . 327 . 2 2 1 DC O4' O 8.672 -1.132 -11.094 . . . 1.0 . . . . . . . . . . . . B . 1 DC O4' . . . . . . . . . rr_1ntq 1
. 1 . 328 . 2 2 1 DC O5' O 8.793 -3.812 -10.258 . . . 1.0 . . . . . . . . . . . . B . 1 DC O5' . . . . . . . . . rr_1ntq 1
. 1 . 329 . 2 2 2 DC C1' C 7.443 3.236 -5.972 . . . 1.0 . . . . . . . . . . . . B . 2 DC C1' . . . . . . . . . rr_1ntq 1
. 1 . 330 . 2 2 2 DC C2 C 5.033 2.552 -5.873 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2 . . . . . . . . . rr_1ntq 1
. 1 . 331 . 2 2 2 DC C2' C 7.988 3.622 -4.597 . . . 1.0 . . . . . . . . . . . . B . 2 DC C2' . . . . . . . . . rr_1ntq 1
. 1 . 332 . 2 2 2 DC C3' C 9.287 2.833 -4.459 . . . 1.0 . . . . . . . . . . . . B . 2 DC C3' . . . . . . . . . rr_1ntq 1
. 1 . 333 . 2 2 2 DC C4 C 4.359 0.229 -5.991 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4 . . . . . . . . . rr_1ntq 1
. 1 . 334 . 2 2 2 DC C4' C 9.783 2.881 -5.913 . . . 1.0 . . . . . . . . . . . . B . 2 DC C4' . . . . . . . . . rr_1ntq 1
. 1 . 335 . 2 2 2 DC C5 C 5.665 -0.179 -6.018 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5 . . . . . . . . . rr_1ntq 1
. 1 . 336 . 2 2 2 DC C5' C 10.766 1.774 -6.331 . . . 1.0 . . . . . . . . . . . . B . 2 DC C5' . . . . . . . . . rr_1ntq 1
. 1 . 337 . 2 2 2 DC C6 C 6.684 0.727 -5.994 . . . 1.0 . . . . . . . . . . . . B . 2 DC C6 . . . . . . . . . rr_1ntq 1
. 1 . 338 . 2 2 2 DC H1' H 7.040 4.158 -6.428 . . . 1.0 . . . . . . . . . . . . B . 2 DC H1' . . . . . . . . . rr_1ntq 1
. 1 . 339 . 2 2 2 DC H2' H 7.281 3.442 -3.777 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2' . . . . . . . . . rr_1ntq 1
. 1 . 340 . 2 2 2 DC H2'' H 8.202 4.707 -4.580 . . . 1.0 . . . . . . . . . . . . B . 2 DC H2'' . . . . . . . . . rr_1ntq 1
. 1 . 341 . 2 2 2 DC H3' H 9.076 1.789 -4.150 . . . 1.0 . . . . . . . . . . . . B . 2 DC H3' . . . . . . . . . rr_1ntq 1
. 1 . 342 . 2 2 2 DC H4' H 10.276 3.858 -6.088 . . . 1.0 . . . . . . . . . . . . B . 2 DC H4' . . . . . . . . . rr_1ntq 1
. 1 . 343 . 2 2 2 DC H41 H 2.355 -0.363 -6.010 . . . 1.0 . . . . . . . . . . . . B . 2 DC H41 . . . . . . . . . rr_1ntq 1
. 1 . 344 . 2 2 2 DC H42 H 3.540 -1.718 -6.004 . . . 1.0 . . . . . . . . . . . . B . 2 DC H42 . . . . . . . . . rr_1ntq 1
. 1 . 345 . 2 2 2 DC H5 H 5.915 -1.240 -6.058 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5 . . . . . . . . . rr_1ntq 1
. 1 . 346 . 2 2 2 DC H5' H 11.077 1.927 -7.382 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5' . . . . . . . . . rr_1ntq 1
. 1 . 347 . 2 2 2 DC H5'' H 11.689 1.841 -5.723 . . . 1.0 . . . . . . . . . . . . B . 2 DC H5'' . . . . . . . . . rr_1ntq 1
. 1 . 348 . 2 2 2 DC H6 H 7.717 0.382 -6.008 . . . 1.0 . . . . . . . . . . . . B . 2 DC H6 . . . . . . . . . rr_1ntq 1
. 1 . 349 . 2 2 2 DC N1 N 6.373 2.190 -5.944 . . . 1.0 . . . . . . . . . . . . B . 2 DC N1 . . . . . . . . . rr_1ntq 1
. 1 . 350 . 2 2 2 DC N3 N 4.027 1.483 -5.940 . . . 1.0 . . . . . . . . . . . . B . 2 DC N3 . . . . . . . . . rr_1ntq 1
. 1 . 351 . 2 2 2 DC N4 N 3.319 -0.718 -6.011 . . . 1.0 . . . . . . . . . . . . B . 2 DC N4 . . . . . . . . . rr_1ntq 1
. 1 . 352 . 2 2 2 DC O2 O 4.693 3.729 -5.742 . . . 1.0 . . . . . . . . . . . . B . 2 DC O2 . . . . . . . . . rr_1ntq 1
. 1 . 353 . 2 2 2 DC O3' O 10.205 3.464 -3.547 . . . 1.0 . . . . . . . . . . . . B . 2 DC O3' . . . . . . . . . rr_1ntq 1
. 1 . 354 . 2 2 2 DC O4' O 8.596 2.823 -6.739 . . . 1.0 . . . . . . . . . . . . B . 2 DC O4' . . . . . . . . . rr_1ntq 1
. 1 . 355 . 2 2 2 DC O5' O 10.178 0.473 -6.177 . . . 1.0 . . . . . . . . . . . . B . 2 DC O5' . . . . . . . . . rr_1ntq 1
. 1 . 356 . 2 2 2 DC OP1 O 12.394 -0.853 -6.151 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP1 . . . . . . . . . rr_1ntq 1
. 1 . 357 . 2 2 2 DC OP2 O 10.223 -2.086 -5.979 . . . 1.0 . . . . . . . . . . . . B . 2 DC OP2 . . . . . . . . . rr_1ntq 1
. 1 . 358 . 2 2 2 DC P P 10.936 -0.889 -6.611 . . . 1.0 . . . . . . . . . . . . B . 2 DC P . . . . . . . . . rr_1ntq 1
. 1 . 359 . 2 2 3 DU C1' C 5.091 4.973 -1.231 . . . 1.0 . . . . . . . . . . . . B . 3 DU C1' . . . . . . . . . rr_1ntq 1
. 1 . 360 . 2 2 3 DU C2 C 3.136 3.537 -1.859 . . . 1.0 . . . . . . . . . . . . B . 3 DU C2 . . . . . . . . . rr_1ntq 1
. 1 . 361 . 2 2 3 DU C2' C 5.730 4.837 0.155 . . . 1.0 . . . . . . . . . . . . B . 3 DU C2' . . . . . . . . . rr_1ntq 1
. 1 . 362 . 2 2 3 DU C3' C 6.753 5.970 0.197 . . . 1.0 . . . . . . . . . . . . B . 3 DU C3' . . . . . . . . . rr_1ntq 1
. 1 . 363 . 2 2 3 DU C4 C 3.330 1.222 -2.493 . . . 1.0 . . . . . . . . . . . . B . 3 DU C4 . . . . . . . . . rr_1ntq 1
. 1 . 364 . 2 2 3 DU C4' C 7.136 6.152 -1.288 . . . 1.0 . . . . . . . . . . . . B . 3 DU C4' . . . . . . . . . rr_1ntq 1
. 1 . 365 . 2 2 3 DU C5 C 4.868 1.343 -2.393 . . . 1.0 . . . . . . . . . . . . B . 3 DU C5 . . . . . . . . . rr_1ntq 1
. 1 . 366 . 2 2 3 DU C5' C 8.543 5.658 -1.676 . . . 1.0 . . . . . . . . . . . . B . 3 DU C5' . . . . . . . . . rr_1ntq 1
. 1 . 367 . 2 2 3 DU C6 C 5.405 2.532 -2.037 . . . 1.0 . . . . . . . . . . . . B . 3 DU C6 . . . . . . . . . rr_1ntq 1
. 1 . 368 . 2 2 3 DU H1' H 4.323 5.773 -1.181 . . . 1.0 . . . . . . . . . . . . B . 3 DU H1' . . . . . . . . . rr_1ntq 1
. 1 . 369 . 2 2 3 DU H2' H 6.262 3.873 0.265 . . . 1.0 . . . . . . . . . . . . B . 3 DU H2' . . . . . . . . . rr_1ntq 1
. 1 . 370 . 2 2 3 DU H2'' H 4.992 4.887 0.972 . . . 1.0 . . . . . . . . . . . . B . 3 DU H2'' . . . . . . . . . rr_1ntq 1
. 1 . 371 . 2 2 3 DU H3 H 1.583 2.273 -2.292 . . . 1.0 . . . . . . . . . . . . B . 3 DU H3 . . . . . . . . . rr_1ntq 1
. 1 . 372 . 2 2 3 DU H3' H 7.624 5.686 0.820 . . . 1.0 . . . . . . . . . . . . B . 3 DU H3' . . . . . . . . . rr_1ntq 1
. 1 . 373 . 2 2 3 DU H4' H 7.085 7.228 -1.543 . . . 1.0 . . . . . . . . . . . . B . 3 DU H4' . . . . . . . . . rr_1ntq 1
. 1 . 374 . 2 2 3 DU H5 H 5.496 0.481 -2.617 . . . 1.0 . . . . . . . . . . . . B . 3 DU H5 . . . . . . . . . rr_1ntq 1
. 1 . 375 . 2 2 3 DU H5' H 8.765 5.955 -2.717 . . . 1.0 . . . . . . . . . . . . B . 3 DU H5' . . . . . . . . . rr_1ntq 1
. 1 . 376 . 2 2 3 DU H5'' H 9.309 6.154 -1.050 . . . 1.0 . . . . . . . . . . . . B . 3 DU H5'' . . . . . . . . . rr_1ntq 1
. 1 . 377 . 2 2 3 DU H6 H 6.488 2.645 -1.976 . . . 1.0 . . . . . . . . . . . . B . 3 DU H6 . . . . . . . . . rr_1ntq 1
. 1 . 378 . 2 2 3 DU N1 N 4.512 3.689 -1.732 . . . 1.0 . . . . . . . . . . . . B . 3 DU N1 . . . . . . . . . rr_1ntq 1
. 1 . 379 . 2 2 3 DU N3 N 2.604 2.341 -2.233 . . . 1.0 . . . . . . . . . . . . B . 3 DU N3 . . . . . . . . . rr_1ntq 1
. 1 . 380 . 2 2 3 DU O2 O 2.337 4.445 -1.634 . . . 1.0 . . . . . . . . . . . . B . 3 DU O2 . . . . . . . . . rr_1ntq 1
. 1 . 381 . 2 2 3 DU O3' O 6.194 7.203 0.702 . . . 1.0 . . . . . . . . . . . . B . 3 DU O3' . . . . . . . . . rr_1ntq 1
. 1 . 382 . 2 2 3 DU O4 O 2.776 0.170 -2.799 . . . 1.0 . . . . . . . . . . . . B . 3 DU O4 . . . . . . . . . rr_1ntq 1
. 1 . 383 . 2 2 3 DU O4' O 6.147 5.451 -2.082 . . . 1.0 . . . . . . . . . . . . B . 3 DU O4' . . . . . . . . . rr_1ntq 1
. 1 . 384 . 2 2 3 DU O5' O 8.651 4.229 -1.541 . . . 1.0 . . . . . . . . . . . . B . 3 DU O5' . . . . . . . . . rr_1ntq 1
. 1 . 385 . 2 2 3 DU OP1 O 11.206 4.073 -1.252 . . . 1.0 . . . . . . . . . . . . B . 3 DU OP1 . . . . . . . . . rr_1ntq 1
. 1 . 386 . 2 2 3 DU OP2 O 9.869 1.972 -1.471 . . . 1.0 . . . . . . . . . . . . B . 3 DU OP2 . . . . . . . . . rr_1ntq 1
. 1 . 387 . 2 2 3 DU P P 10.000 3.423 -1.934 . . . 1.0 . . . . . . . . . . . . B . 3 DU P . . . . . . . . . rr_1ntq 1
. 1 . 388 . 2 2 4 DC C1' C 0.503 5.454 1.264 . . . 1.0 . . . . . . . . . . . . B . 4 DC C1' . . . . . . . . . rr_1ntq 1
. 1 . 389 . 2 2 4 DC C2 C 0.173 2.989 0.980 . . . 1.0 . . . . . . . . . . . . B . 4 DC C2 . . . . . . . . . rr_1ntq 1
. 1 . 390 . 2 2 4 DC C2' C -0.001 5.995 2.606 . . . 1.0 . . . . . . . . . . . . B . 4 DC C2' . . . . . . . . . rr_1ntq 1
. 1 . 391 . 2 2 4 DC C3' C 1.120 6.908 3.104 . . . 1.0 . . . . . . . . . . . . B . 4 DC C3' . . . . . . . . . rr_1ntq 1
. 1 . 392 . 2 2 4 DC C4 C 2.009 1.430 1.235 . . . 1.0 . . . . . . . . . . . . B . 4 DC C4 . . . . . . . . . rr_1ntq 1
. 1 . 393 . 2 2 4 DC C4' C 1.643 7.452 1.767 . . . 1.0 . . . . . . . . . . . . B . 4 DC C4' . . . . . . . . . rr_1ntq 1
. 1 . 394 . 2 2 4 DC C5 C 2.841 2.433 1.656 . . . 1.0 . . . . . . . . . . . . B . 4 DC C5 . . . . . . . . . rr_1ntq 1
. 1 . 395 . 2 2 4 DC C5' C 3.076 8.010 1.754 . . . 1.0 . . . . . . . . . . . . B . 4 DC C5' . . . . . . . . . rr_1ntq 1
. 1 . 396 . 2 2 4 DC C6 C 2.400 3.722 1.739 . . . 1.0 . . . . . . . . . . . . B . 4 DC C6 . . . . . . . . . rr_1ntq 1
. 1 . 397 . 2 2 4 DC H1' H -0.317 5.530 0.520 . . . 1.0 . . . . . . . . . . . . B . 4 DC H1' . . . . . . . . . rr_1ntq 1
. 1 . 398 . 2 2 4 DC H2' H -0.262 5.212 3.335 . . . 1.0 . . . . . . . . . . . . B . 4 DC H2' . . . . . . . . . rr_1ntq 1
. 1 . 399 . 2 2 4 DC H2'' H -0.924 6.580 2.439 . . . 1.0 . . . . . . . . . . . . B . 4 DC H2'' . . . . . . . . . rr_1ntq 1
. 1 . 400 . 2 2 4 DC H3' H 1.905 6.313 3.614 . . . 1.0 . . . . . . . . . . . . B . 4 DC H3' . . . . . . . . . rr_1ntq 1
. 1 . 401 . 2 2 4 DC H4' H 0.967 8.259 1.423 . . . 1.0 . . . . . . . . . . . . B . 4 DC H4' . . . . . . . . . rr_1ntq 1
. 1 . 402 . 2 2 4 DC H41 H 1.831 -0.603 0.784 . . . 1.0 . . . . . . . . . . . . B . 4 DC H41 . . . . . . . . . rr_1ntq 1
. 1 . 403 . 2 2 4 DC H42 H 3.464 -0.099 1.348 . . . 1.0 . . . . . . . . . . . . B . 4 DC H42 . . . . . . . . . rr_1ntq 1
. 1 . 404 . 2 2 4 DC H5 H 3.876 2.221 1.928 . . . 1.0 . . . . . . . . . . . . B . 4 DC H5 . . . . . . . . . rr_1ntq 1
. 1 . 405 . 2 2 4 DC H5' H 3.333 8.343 0.730 . . . 1.0 . . . . . . . . . . . . B . 4 DC H5' . . . . . . . . . rr_1ntq 1
. 1 . 406 . 2 2 4 DC H5'' H 3.123 8.915 2.391 . . . 1.0 . . . . . . . . . . . . B . 4 DC H5'' . . . . . . . . . rr_1ntq 1
. 1 . 407 . 2 2 4 DC H6 H 3.063 4.516 2.086 . . . 1.0 . . . . . . . . . . . . B . 4 DC H6 . . . . . . . . . rr_1ntq 1
. 1 . 408 . 2 2 4 DC N1 N 0.995 4.047 1.341 . . . 1.0 . . . . . . . . . . . . B . 4 DC N1 . . . . . . . . . rr_1ntq 1
. 1 . 409 . 2 2 4 DC N3 N 0.767 1.646 0.925 . . . 1.0 . . . . . . . . . . . . B . 4 DC N3 . . . . . . . . . rr_1ntq 1
. 1 . 410 . 2 2 4 DC N4 N 2.488 0.113 1.117 . . . 1.0 . . . . . . . . . . . . B . 4 DC N4 . . . . . . . . . rr_1ntq 1
. 1 . 411 . 2 2 4 DC O2 O -1.018 3.166 0.718 . . . 1.0 . . . . . . . . . . . . B . 4 DC O2 . . . . . . . . . rr_1ntq 1
. 1 . 412 . 2 2 4 DC O3' O 0.630 7.954 3.964 . . . 1.0 . . . . . . . . . . . . B . 4 DC O3' . . . . . . . . . rr_1ntq 1
. 1 . 413 . 2 2 4 DC O4' O 1.542 6.358 0.836 . . . 1.0 . . . . . . . . . . . . B . 4 DC O4' . . . . . . . . . rr_1ntq 1
. 1 . 414 . 2 2 4 DC O5' O 4.047 7.051 2.213 . . . 1.0 . . . . . . . . . . . . B . 4 DC O5' . . . . . . . . . rr_1ntq 1
. 1 . 415 . 2 2 4 DC OP1 O 5.853 8.849 2.654 . . . 1.0 . . . . . . . . . . . . B . 4 DC OP1 . . . . . . . . . rr_1ntq 1
. 1 . 416 . 2 2 4 DC OP2 O 6.363 6.458 3.172 . . . 1.0 . . . . . . . . . . . . B . 4 DC OP2 . . . . . . . . . rr_1ntq 1
. 1 . 417 . 2 2 4 DC P P 5.630 7.400 2.214 . . . 1.0 . . . . . . . . . . . . B . 4 DC P . . . . . . . . . rr_1ntq 1
. 1 . 418 . 2 2 5 DC C1' C -3.380 3.939 5.055 . . . 1.0 . . . . . . . . . . . . B . 5 DC C1' . . . . . . . . . rr_1ntq 1
. 1 . 419 . 2 2 5 DC C2 C -2.594 1.649 4.363 . . . 1.0 . . . . . . . . . . . . B . 5 DC C2 . . . . . . . . . rr_1ntq 1
. 1 . 420 . 2 2 5 DC C2' C -3.447 4.467 6.494 . . . 1.0 . . . . . . . . . . . . B . 5 DC C2' . . . . . . . . . rr_1ntq 1
. 1 . 421 . 2 2 5 DC C3' C -4.064 5.857 6.346 . . . 1.0 . . . . . . . . . . . . B . 5 DC C3' . . . . . . . . . rr_1ntq 1
. 1 . 422 . 2 2 5 DC C4 C -0.245 1.051 4.457 . . . 1.0 . . . . . . . . . . . . B . 5 DC C4 . . . . . . . . . rr_1ntq 1
. 1 . 423 . 2 2 5 DC C4' C -3.610 6.291 4.937 . . . 1.0 . . . . . . . . . . . . B . 5 DC C4' . . . . . . . . . rr_1ntq 1
. 1 . 424 . 2 2 5 DC C5 C 0.087 2.298 4.909 . . . 1.0 . . . . . . . . . . . . B . 5 DC C5 . . . . . . . . . rr_1ntq 1
. 1 . 425 . 2 2 5 DC C5' C -2.486 7.346 4.905 . . . 1.0 . . . . . . . . . . . . B . 5 DC C5' . . . . . . . . . rr_1ntq 1
. 1 . 426 . 2 2 5 DC C6 C -0.867 3.251 5.104 . . . 1.0 . . . . . . . . . . . . B . 5 DC C6 . . . . . . . . . rr_1ntq 1
. 1 . 427 . 2 2 5 DC H1' H -4.380 3.533 4.798 . . . 1.0 . . . . . . . . . . . . B . 5 DC H1' . . . . . . . . . rr_1ntq 1
. 1 . 428 . 2 2 5 DC H2' H -2.441 4.572 6.941 . . . 1.0 . . . . . . . . . . . . B . 5 DC H2' . . . . . . . . . rr_1ntq 1
. 1 . 429 . 2 2 5 DC H2'' H -4.021 3.807 7.162 . . . 1.0 . . . . . . . . . . . . B . 5 DC H2'' . . . . . . . . . rr_1ntq 1
. 1 . 430 . 2 2 5 DC H3' H -3.690 6.540 7.135 . . . 1.0 . . . . . . . . . . . . B . 5 DC H3' . . . . . . . . . rr_1ntq 1
. 1 . 431 . 2 2 5 DC H4' H -4.475 6.714 4.393 . . . 1.0 . . . . . . . . . . . . B . 5 DC H4' . . . . . . . . . rr_1ntq 1
. 1 . 432 . 2 2 5 DC H41 H 0.486 -0.832 3.898 . . . 1.0 . . . . . . . . . . . . B . 5 DC H41 . . . . . . . . . rr_1ntq 1
. 1 . 433 . 2 2 5 DC H42 H 1.728 0.307 4.526 . . . 1.0 . . . . . . . . . . . . B . 5 DC H42 . . . . . . . . . rr_1ntq 1
. 1 . 434 . 2 2 5 DC H5 H 1.125 2.555 5.124 . . . 1.0 . . . . . . . . . . . . B . 5 DC H5 . . . . . . . . . rr_1ntq 1
. 1 . 435 . 2 2 5 DC H5' H -2.332 7.692 3.866 . . . 1.0 . . . . . . . . . . . . B . 5 DC H5' . . . . . . . . . rr_1ntq 1
. 1 . 436 . 2 2 5 DC H5'' H -2.786 8.243 5.480 . . . 1.0 . . . . . . . . . . . . B . 5 DC H5'' . . . . . . . . . rr_1ntq 1
. 1 . 437 . 2 2 5 DC H6 H -0.585 4.243 5.462 . . . 1.0 . . . . . . . . . . . . B . 5 DC H6 . . . . . . . . . rr_1ntq 1
. 1 . 438 . 2 2 5 DC N1 N -2.303 2.927 4.830 . . . 1.0 . . . . . . . . . . . . B . 5 DC N1 . . . . . . . . . rr_1ntq 1
. 1 . 439 . 2 2 5 DC N3 N -1.468 0.719 4.172 . . . 1.0 . . . . . . . . . . . . B . 5 DC N3 . . . . . . . . . rr_1ntq 1
. 1 . 440 . 2 2 5 DC N4 N 0.756 0.077 4.297 . . . 1.0 . . . . . . . . . . . . B . 5 DC N4 . . . . . . . . . rr_1ntq 1
. 1 . 441 . 2 2 5 DC O2 O -3.750 1.293 4.129 . . . 1.0 . . . . . . . . . . . . B . 5 DC O2 . . . . . . . . . rr_1ntq 1
. 1 . 442 . 2 2 5 DC O3' O -5.507 5.824 6.397 . . . 1.0 . . . . . . . . . . . . B . 5 DC O3' . . . . . . . . . rr_1ntq 1
. 1 . 443 . 2 2 5 DC O4' O -3.166 5.103 4.236 . . . 1.0 . . . . . . . . . . . . B . 5 DC O4' . . . . . . . . . rr_1ntq 1
. 1 . 444 . 2 2 5 DC O5' O -1.258 6.813 5.431 . . . 1.0 . . . . . . . . . . . . B . 5 DC O5' . . . . . . . . . rr_1ntq 1
. 1 . 445 . 2 2 5 DC OP1 O -0.145 9.007 6.185 . . . 1.0 . . . . . . . . . . . . B . 5 DC OP1 . . . . . . . . . rr_1ntq 1
. 1 . 446 . 2 2 5 DC OP2 O 1.171 6.883 6.249 . . . 1.0 . . . . . . . . . . . . B . 5 DC OP2 . . . . . . . . . rr_1ntq 1
. 1 . 447 . 2 2 5 DC P P 0.112 7.674 5.479 . . . 1.0 . . . . . . . . . . . . B . 5 DC P . . . . . . . . . rr_1ntq 1
. 1 . 448 . 2 2 6 DU C1' C -6.152 -0.095 6.762 . . . 1.0 . . . . . . . . . . . . B . 6 DU C1' . . . . . . . . . rr_1ntq 1
. 1 . 449 . 2 2 6 DU C2 C -3.971 -1.311 6.790 . . . 1.0 . . . . . . . . . . . . B . 6 DU C2 . . . . . . . . . rr_1ntq 1
. 1 . 450 . 2 2 6 DU C2' C -7.099 -0.330 7.947 . . . 1.0 . . . . . . . . . . . . B . 6 DU C2' . . . . . . . . . rr_1ntq 1
. 1 . 451 . 2 2 6 DU C3' C -7.701 1.040 8.261 . . . 1.0 . . . . . . . . . . . . B . 6 DU C3' . . . . . . . . . rr_1ntq 1
. 1 . 452 . 2 2 6 DU C4 C -1.902 -0.349 7.560 . . . 1.0 . . . . . . . . . . . . B . 6 DU C4 . . . . . . . . . rr_1ntq 1
. 1 . 453 . 2 2 6 DU C4' C -7.674 1.695 6.873 . . . 1.0 . . . . . . . . . . . . B . 6 DU C4' . . . . . . . . . rr_1ntq 1
. 1 . 454 . 2 2 6 DU C5 C -2.684 0.909 8.016 . . . 1.0 . . . . . . . . . . . . B . 6 DU C5 . . . . . . . . . rr_1ntq 1
. 1 . 455 . 2 2 6 DU C5' C -7.676 3.233 6.842 . . . 1.0 . . . . . . . . . . . . B . 6 DU C5' . . . . . . . . . rr_1ntq 1
. 1 . 456 . 2 2 6 DU C6 C -4.020 0.960 7.799 . . . 1.0 . . . . . . . . . . . . B . 6 DU C6 . . . . . . . . . rr_1ntq 1
. 1 . 457 . 2 2 6 DU H1' H -6.398 -0.832 5.971 . . . 1.0 . . . . . . . . . . . . B . 6 DU H1' . . . . . . . . . rr_1ntq 1
. 1 . 458 . 2 2 6 DU H2' H -6.606 -0.768 8.830 . . . 1.0 . . . . . . . . . . . . B . 6 DU H2' . . . . . . . . . rr_1ntq 1
. 1 . 459 . 2 2 6 DU H2'' H -7.892 -1.040 7.649 . . . 1.0 . . . . . . . . . . . . B . 6 DU H2'' . . . . . . . . . rr_1ntq 1
. 1 . 460 . 2 2 6 DU H3 H -2.135 -2.198 6.708 . . . 1.0 . . . . . . . . . . . . B . 6 DU H3 . . . . . . . . . rr_1ntq 1
. 1 . 461 . 2 2 6 DU H3' H -7.042 1.591 8.962 . . . 1.0 . . . . . . . . . . . . B . 6 DU H3' . . . . . . . . . rr_1ntq 1
. 1 . 462 . 2 2 6 DU H4' H -8.548 1.341 6.291 . . . 1.0 . . . . . . . . . . . . B . 6 DU H4' . . . . . . . . . rr_1ntq 1
. 1 . 463 . 2 2 6 DU H5 H -2.155 1.730 8.499 . . . 1.0 . . . . . . . . . . . . B . 6 DU H5 . . . . . . . . . rr_1ntq 1
. 1 . 464 . 2 2 6 DU H5' H -7.590 3.585 5.796 . . . 1.0 . . . . . . . . . . . . B . 6 DU H5' . . . . . . . . . rr_1ntq 1
. 1 . 465 . 2 2 6 DU H5'' H -8.649 3.608 7.213 . . . 1.0 . . . . . . . . . . . . B . 6 DU H5'' . . . . . . . . . rr_1ntq 1
. 1 . 466 . 2 2 6 DU H6 H -4.599 1.830 8.113 . . . 1.0 . . . . . . . . . . . . B . 6 DU H6 . . . . . . . . . rr_1ntq 1
. 1 . 467 . 2 2 6 DU N1 N -4.704 -0.180 7.122 . . . 1.0 . . . . . . . . . . . . B . 6 DU N1 . . . . . . . . . rr_1ntq 1
. 1 . 468 . 2 2 6 DU N3 N -2.628 -1.349 6.998 . . . 1.0 . . . . . . . . . . . . B . 6 DU N3 . . . . . . . . . rr_1ntq 1
. 1 . 469 . 2 2 6 DU O2 O -4.480 -2.322 6.309 . . . 1.0 . . . . . . . . . . . . B . 6 DU O2 . . . . . . . . . rr_1ntq 1
. 1 . 470 . 2 2 6 DU O3' O -9.040 0.949 8.791 . . . 1.0 . . . . . . . . . . . . B . 6 DU O3' . . . . . . . . . rr_1ntq 1
. 1 . 471 . 2 2 6 DU O4 O -0.685 -0.466 7.684 . . . 1.0 . . . . . . . . . . . . B . 6 DU O4 . . . . . . . . . rr_1ntq 1
. 1 . 472 . 2 2 6 DU O4' O -6.482 1.204 6.234 . . . 1.0 . . . . . . . . . . . . B . 6 DU O4' . . . . . . . . . rr_1ntq 1
. 1 . 473 . 2 2 6 DU O5' O -6.614 3.790 7.637 . . . 1.0 . . . . . . . . . . . . B . 6 DU O5' . . . . . . . . . rr_1ntq 1
. 1 . 474 . 2 2 6 DU OP1 O -7.694 6.136 7.724 . . . 1.0 . . . . . . . . . . . . B . 6 DU OP1 . . . . . . . . . rr_1ntq 1
. 1 . 475 . 2 2 6 DU OP2 O -5.573 5.725 8.979 . . . 1.0 . . . . . . . . . . . . B . 6 DU OP2 . . . . . . . . . rr_1ntq 1
. 1 . 476 . 2 2 6 DU P P -6.358 5.388 7.710 . . . 1.0 . . . . . . . . . . . . B . 6 DU P . . . . . . . . . rr_1ntq 1
. 1 . 477 . 2 2 7 DU C1' C -7.019 -4.524 9.628 . . . 1.0 . . . . . . . . . . . . B . 7 DU C1' . . . . . . . . . rr_1ntq 1
. 1 . 478 . 2 2 7 DU C2 C -4.536 -4.320 9.378 . . . 1.0 . . . . . . . . . . . . B . 7 DU C2 . . . . . . . . . rr_1ntq 1
. 1 . 479 . 2 2 7 DU C2' C -7.724 -5.081 10.881 . . . 1.0 . . . . . . . . . . . . B . 7 DU C2' . . . . . . . . . rr_1ntq 1
. 1 . 480 . 2 2 7 DU C3' C -8.887 -4.122 11.121 . . . 1.0 . . . . . . . . . . . . B . 7 DU C3' . . . . . . . . . rr_1ntq 1
. 1 . 481 . 2 2 7 DU C4 C -3.228 -2.525 10.310 . . . 1.0 . . . . . . . . . . . . B . 7 DU C4 . . . . . . . . . rr_1ntq 1
. 1 . 482 . 2 2 7 DU C4' C -9.203 -3.628 9.702 . . . 1.0 . . . . . . . . . . . . B . 7 DU C4' . . . . . . . . . rr_1ntq 1
. 1 . 483 . 2 2 7 DU C5 C -4.523 -1.911 10.893 . . . 1.0 . . . . . . . . . . . . B . 7 DU C5 . . . . . . . . . rr_1ntq 1
. 1 . 484 . 2 2 7 DU C5' C -9.839 -2.231 9.610 . . . 1.0 . . . . . . . . . . . . B . 7 DU C5' . . . . . . . . . rr_1ntq 1
. 1 . 485 . 2 2 7 DU C6 C -5.699 -2.550 10.684 . . . 1.0 . . . . . . . . . . . . B . 7 DU C6 . . . . . . . . . rr_1ntq 1
. 1 . 486 . 2 2 7 DU H1' H -6.872 -5.369 8.927 . . . 1.0 . . . . . . . . . . . . B . 7 DU H1' . . . . . . . . . rr_1ntq 1
. 1 . 487 . 2 2 7 DU H2' H -7.062 -5.168 11.763 . . . 1.0 . . . . . . . . . . . . B . 7 DU H2' . . . . . . . . . rr_1ntq 1
. 1 . 488 . 2 2 7 DU H2'' H -8.104 -6.099 10.672 . . . 1.0 . . . . . . . . . . . . B . 7 DU H2'' . . . . . . . . . rr_1ntq 1
. 1 . 489 . 2 2 7 DU H3 H -2.511 -4.098 9.215 . . . 1.0 . . . . . . . . . . . . B . 7 DU H3 . . . . . . . . . rr_1ntq 1
. 1 . 490 . 2 2 7 DU H3' H -8.554 -3.288 11.768 . . . 1.0 . . . . . . . . . . . . B . 7 DU H3' . . . . . . . . . rr_1ntq 1
. 1 . 491 . 2 2 7 DU H4' H -9.871 -4.355 9.199 . . . 1.0 . . . . . . . . . . . . B . 7 DU H4' . . . . . . . . . rr_1ntq 1
. 1 . 492 . 2 2 7 DU H5 H -4.476 -0.979 11.456 . . . 1.0 . . . . . . . . . . . . B . 7 DU H5 . . . . . . . . . rr_1ntq 1
. 1 . 493 . 2 2 7 DU H5' H -9.999 -1.959 8.549 . . . 1.0 . . . . . . . . . . . . B . 7 DU H5' . . . . . . . . . rr_1ntq 1
. 1 . 494 . 2 2 7 DU H5'' H -10.841 -2.233 10.081 . . . 1.0 . . . . . . . . . . . . B . 7 DU H5'' . . . . . . . . . rr_1ntq 1
. 1 . 495 . 2 2 7 DU H6 H -6.622 -2.128 11.083 . . . 1.0 . . . . . . . . . . . . B . 7 DU H6 . . . . . . . . . rr_1ntq 1
. 1 . 496 . 2 2 7 DU HO3' H -10.666 -4.113 11.854 . . . 1.0 . . . . . . . . . . . . B . 7 DU HO3' . . . . . . . . . rr_1ntq 1
. 1 . 497 . 2 2 7 DU N1 N -5.725 -3.820 9.897 . . . 1.0 . . . . . . . . . . . . B . 7 DU N1 . . . . . . . . . rr_1ntq 1
. 1 . 498 . 2 2 7 DU N3 N -3.361 -3.670 9.593 . . . 1.0 . . . . . . . . . . . . B . 7 DU N3 . . . . . . . . . rr_1ntq 1
. 1 . 499 . 2 2 7 DU O2 O -4.473 -5.358 8.718 . . . 1.0 . . . . . . . . . . . . B . 7 DU O2 . . . . . . . . . rr_1ntq 1
. 1 . 500 . 2 2 7 DU O3' O -9.996 -4.787 11.714 . . . 1.0 . . . . . . . . . . . . B . 7 DU O3' . . . . . . . . . rr_1ntq 1
. 1 . 501 . 2 2 7 DU O4 O -2.119 -2.022 10.477 . . . 1.0 . . . . . . . . . . . . B . 7 DU O4 . . . . . . . . . rr_1ntq 1
. 1 . 502 . 2 2 7 DU O4' O -7.947 -3.620 9.001 . . . 1.0 . . . . . . . . . . . . B . 7 DU O4' . . . . . . . . . rr_1ntq 1
. 1 . 503 . 2 2 7 DU O5' O -9.004 -1.249 10.248 . . . 1.0 . . . . . . . . . . . . B . 7 DU O5' . . . . . . . . . rr_1ntq 1
. 1 . 504 . 2 2 7 DU OP1 O -10.844 0.517 10.588 . . . 1.0 . . . . . . . . . . . . B . 7 DU OP1 . . . . . . . . . rr_1ntq 1
. 1 . 505 . 2 2 7 DU OP2 O -8.507 1.026 11.317 . . . 1.0 . . . . . . . . . . . . B . 7 DU OP2 . . . . . . . . . rr_1ntq 1
. 1 . 506 . 2 2 7 DU P P -9.361 0.328 10.258 . . . 1.0 . . . . . . . . . . . . B . 7 DU P . . . . . . . . . rr_1ntq 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_1ntq
_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 1ntq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ntq 1
1 1ntq.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 rr_1ntq 1
1 1ntq.mr . . DISCOVER 3 distance NOE simple 148 rr_1ntq 1
1 1ntq.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 59 rr_1ntq 1
1 1ntq.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 45 rr_1ntq 1
1 1ntq.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ntq 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_1ntq
_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: '1ntq'" . . . . distance "general distance" . 141 rr_1ntq 1
2 "From CCPN project: '1ntq'" . . . . distance "hydrogen bond" . 18 rr_1ntq 1
3 "From CCPN project: '1ntq'" . . . . "dihedral angle" "Not applicable" . 59 rr_1ntq 1
4 "From CCPN project: '1ntq'" . . . . "dihedral angle" "Not applicable" . 45 rr_1ntq 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 1ntq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1ntq 1
1 1ntq.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 rr_1ntq 1
1 1ntq.mr . . DISCOVER 3 distance NOE simple 148 rr_1ntq 1
1 1ntq.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 59 rr_1ntq 1
1 1ntq.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 45 rr_1ntq 1
1 1ntq.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1ntq 1
stop_
save_
save_Discover_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_1ntq
_Gen_dist_constraint_list.ID 2
_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 3
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_1ntq 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 2 2 1 1 DC H6 H . . . 2 2 1 1 DC H5 H . . . . . . 1.505 3.512 . . . . . B . 1 DC H6 . . B . 1 DC H5 . B . 1 C5' H6 . . . B . 1 C5' H5 . . rr_1ntq 1
2 1 . . 2 2 1 1 DC H6 H . . . 2 2 1 1 DC H1' H . . . . . . 2.175 5.076 . . . . . B . 1 DC H6 . . B . 1 DC H1' . B . 1 C5' H6 . . . B . 1 C5' H1' . . rr_1ntq 1
3 1 . . 2 2 1 1 DC H6 H . . . 2 2 1 1 DC H3' H . . . . . . 2.352 5.487 . . . . . B . 1 DC H6 . . B . 1 DC H3' . B . 1 C5' H6 . . . B . 1 C5' H3' . . rr_1ntq 1
4 1 . . 2 2 1 1 DC H3' H . . . 2 2 1 1 DC H2' H . . . . . . 1.964 4.582 . . . . . B . 1 DC H3' . . B . 1 DC H2' . B . 1 C5' H3' . . . B . 1 C5' H2'1 . . rr_1ntq 1
5 1 . . 2 2 1 1 DC H1' H . . . 2 2 1 1 DC H4' H . . . . . . 1.940 4.526 . . . . . B . 1 DC H1' . . B . 1 DC H4' . B . 1 C5' H1' . . . B . 1 C5' H4' . . rr_1ntq 1
6 1 . . 1 1 1 1 A H2 H . . . 1 1 2 2 A H1' H . . . . . . 2.264 5.282 . . . . . A . 2 A H2 . . A . 3 A H1' . 1 . 2 A H2 . . . 1 . 3 A H1' . . rr_1ntq 1
7 1 . . 2 2 1 1 DC H2' H . . . 2 2 2 2 DC H6 H . . . . . . 1.451 3.386 . . . . . B . 1 DC H2' . . B . 2 DC H6 . B . 1 C5' H2'1 . . . B . 2 C H6 . . rr_1ntq 1
8 1 . . 2 2 1 1 DC H3' H . . . 2 2 2 2 DC H6 H . . . . . . 2.438 5.689 . . . . . B . 1 DC H3' . . B . 2 DC H6 . B . 1 C5' H3' . . . B . 2 C H6 . . rr_1ntq 1
9 1 . . 2 2 2 2 DC H6 H . . . 2 2 2 2 DC H5 H . . . . . . 1.518 3.543 . . . . . B . 2 DC H6 . . B . 2 DC H5 . B . 2 C H6 . . . B . 2 C H5 . . rr_1ntq 1
10 1 . . 2 2 2 2 DC H6 H . . . 2 2 2 2 DC H1' H . . . . . . 1.946 4.540 . . . . . B . 2 DC H6 . . B . 2 DC H1' . B . 2 C H6 . . . B . 2 C H1' . . rr_1ntq 1
11 1 . . 2 2 2 2 DC H6 H . . . 2 2 2 2 DC H4' H . . . . . . 2.075 4.843 . . . . . B . 2 DC H6 . . B . 2 DC H4' . B . 2 C H6 . . . B . 2 C H4' . . rr_1ntq 1
12 1 . . 1 1 1 1 A H8 H . . . 1 1 1 1 A H1' H . . . . . . 2.092 4.882 . . . . . A . 2 A H8 . . A . 2 A H1' . 1 . 2 A H8 . . . 1 . 2 A H1' . . rr_1ntq 1
13 1 . . 2 2 2 2 DC H1' H . . . 2 2 2 2 DC H2' H . . . . . . 1.986 4.635 . . . . . B . 2 DC H1' . . B . 2 DC H2' . B . 2 C H1' . . . B . 2 C H2'1 . . rr_1ntq 1
14 1 . . 1 1 1 1 A H1' H . . . 1 1 1 1 A H2' H . . . . . . 2.231 5.205 . . . . . A . 2 A H1' . . A . 2 A H2' . 1 . 2 A H1' . . . 1 . 2 A H2' . . rr_1ntq 1
15 1 . . 2 2 2 2 DC H1' H . . . 2 2 2 2 DC H4' H . . . . . . 1.908 4.452 . . . . . B . 2 DC H1' . . B . 2 DC H4' . B . 2 C H1' . . . B . 2 C H4' . . rr_1ntq 1
16 1 . . 1 1 1 1 A H1' H . . . 1 1 1 1 A H4' H . . . . . . 2.252 5.254 . . . . . A . 2 A H1' . . A . 2 A H4' . 1 . 2 A H1' . . . 1 . 2 A H4' . . rr_1ntq 1
17 1 . . 2 2 2 2 DC H6 H . . . 2 2 2 2 DC H3' H . . . . . . 2.101 4.902 . . . . . B . 2 DC H6 . . B . 2 DC H3' . B . 2 C H6 . . . B . 2 C H3' . . rr_1ntq 1
18 1 . . 2 2 2 2 DC H2' H . . . 2 2 2 2 DC H3' H . . . . . . 2.082 4.859 . . . . . B . 2 DC H2' . . B . 2 DC H3' . B . 2 C H2'1 . . . B . 2 C H3' . . rr_1ntq 1
19 1 . . 2 2 2 2 DC H3' H . . . 2 2 3 3 DU H5 H . . . . . . 2.318 5.408 . . . . . B . 2 DC H3' . . B . 3 DU H5 . B . 2 C H3' . . . B . 3 U H5 . . rr_1ntq 1
20 1 . . 2 2 2 2 DC H2' H . . . 2 2 3 3 DU H5 H . . . . . . 1.884 4.397 . . . . . B . 2 DC H2' . . B . 3 DU H5 . B . 2 C H2'1 . . . B . 3 U H5 . . rr_1ntq 1
21 1 . . 2 2 2 2 DC H1' H . . . 2 2 3 3 DU H6 H . . . . . . 2.037 4.754 . . . . . B . 2 DC H1' . . B . 3 DU H6 . B . 2 C H1' . . . B . 3 U H6 . . rr_1ntq 1
22 1 . . 2 2 3 3 DU H6 H . . . 2 2 2 2 DC H2'' H . . . . . . 1.981 4.623 . . . . . B . 3 DU H6 . . B . 2 DC H2'' . B . 3 U H6 . . . B . 2 C H2'2 . . rr_1ntq 1
23 1 . . 2 2 2 2 DC H3' H . . . 2 2 3 3 DU H6 H . . . . . . 2.592 6.000 . . . . . B . 2 DC H3' . . B . 3 DU H6 . B . 2 C H3' . . . B . 3 U H6 . . rr_1ntq 1
24 1 . . 2 2 3 3 DU H5 H . . . 2 2 3 3 DU H6 H . . . . . . 1.485 3.464 . . . . . B . 3 DU H5 . . B . 3 DU H6 . B . 3 U H5 . . . B . 3 U H6 . . rr_1ntq 1
25 1 . . 2 2 2 2 DC H2' H . . . 2 2 3 3 DU H6 H . . . . . . 1.481 3.455 . . . . . B . 2 DC H2' . . B . 3 DU H6 . B . 2 C H2'1 . . . B . 3 U H6 . . rr_1ntq 1
26 1 . . 2 2 3 3 DU H6 H . . . 2 2 3 3 DU H3' H . . . . . . 2.021 4.716 . . . . . B . 3 DU H6 . . B . 3 DU H3' . B . 3 U H6 . . . B . 3 U H3' . . rr_1ntq 1
27 1 . . 1 1 1 1 A H2' H . . . 1 1 2 2 A H8 H . . . . . . 1.888 4.406 . . . . . A . 2 A H2' . . A . 3 A H8 . 1 . 2 A H2' . . . 1 . 3 A H8 . . rr_1ntq 1
28 1 . . 1 1 2 2 A H1' H . . . 1 1 2 2 A H8 H . . . . . . 2.904 6.000 . . . . . A . 3 A H1' . . A . 3 A H8 . 1 . 3 A H1' . . . 1 . 3 A H8 . . rr_1ntq 1
29 1 . . 2 2 3 3 DU H6 H . . . 2 2 3 3 DU H1' H . . . . . . 2.471 5.766 . . . . . B . 3 DU H6 . . B . 3 DU H1' . B . 3 U H6 . . . B . 3 U H1' . . rr_1ntq 1
30 1 . . 2 2 3 3 DU H1' H . . . 2 2 3 3 DU H2' H . . . . . . 1.988 4.640 . . . . . B . 3 DU H1' . . B . 3 DU H2' . B . 3 U H1' . . . B . 3 U H2'1 . . rr_1ntq 1
31 1 . . 2 2 3 3 DU H1' H . . . 2 2 3 3 DU H2'' H . . . . . . 1.741 4.063 . . . . . B . 3 DU H1' . . B . 3 DU H2'' . B . 3 U H1' . . . B . 3 U H2'2 . . rr_1ntq 1
32 1 . . 2 2 3 3 DU H3' H . . . 2 2 3 3 DU H1' H . . . . . . 2.712 6.000 . . . . . B . 3 DU H3' . . B . 3 DU H1' . B . 3 U H3' . . . B . 3 U H1' . . rr_1ntq 1
33 1 . . 2 2 3 3 DU H1' H . . . 2 2 3 3 DU H4' H . . . . . . 2.008 4.686 . . . . . B . 3 DU H1' . . B . 3 DU H4' . B . 3 U H1' . . . B . 3 U H4' . . rr_1ntq 1
34 1 . . 2 2 3 3 DU H1' H . . . 2 2 4 4 DC H6 H . . . . . . 2.629 6.000 . . . . . B . 3 DU H1' . . B . 4 DC H6 . B . 3 U H1' . . . B . 4 C H6 . . rr_1ntq 1
35 1 . . 1 1 2 2 A H8 H . . . 1 1 2 2 A H3' H . . . . . . 1.872 4.367 . . . . . A . 3 A H8 . . A . 3 A H3' . 1 . 3 A H8 . . . 1 . 3 A H3' . . rr_1ntq 1
36 1 . . 2 2 3 3 DU H3' H . . . 2 2 3 3 DU H2' H . . . . . . 1.744 4.070 . . . . . B . 3 DU H3' . . B . 3 DU H2' . B . 3 U H3' . . . B . 3 U H2'1 . . rr_1ntq 1
37 1 . . 2 2 3 3 DU H2' H . . . 2 2 4 4 DC H5 H . . . . . . 2.181 5.089 . . . . . B . 3 DU H2' . . B . 4 DC H5 . B . 3 U H2'1 . . . B . 4 C H5 . . rr_1ntq 1
38 1 . . 2 2 3 3 DU H2' H . . . 2 2 4 4 DC H6 H . . . . . . 1.894 4.420 . . . . . B . 3 DU H2' . . B . 4 DC H6 . B . 3 U H2'1 . . . B . 4 C H6 . . rr_1ntq 1
39 1 . . 2 2 3 3 DU H2'' H . . . 2 2 4 4 DC H6 H . . . . . . 2.001 4.668 . . . . . B . 3 DU H2'' . . B . 4 DC H6 . B . 3 U H2'2 . . . B . 4 C H6 . . rr_1ntq 1
40 1 . . 2 2 4 4 DC H6 H . . . 2 2 4 4 DC H5 H . . . . . . 1.461 3.410 . . . . . B . 4 DC H6 . . B . 4 DC H5 . B . 4 C H6 . . . B . 4 C H5 . . rr_1ntq 1
41 1 . . 2 2 4 4 DC H6 H . . . 2 2 4 4 DC H2' H . . . . . . 1.989 4.642 . . . . . B . 4 DC H6 . . B . 4 DC H2' . B . 4 C H6 . . . B . 4 C H2'1 . . rr_1ntq 1
42 1 . . 2 2 4 4 DC H6 H . . . 2 2 4 4 DC H3' H . . . . . . 1.904 4.442 . . . . . B . 4 DC H6 . . B . 4 DC H3' . B . 4 C H6 . . . B . 4 C H3' . . rr_1ntq 1
43 1 . . 2 2 4 4 DC H6 H . . . 2 2 5 5 DC H5 H . . . . . . 2.482 5.790 . . . . . B . 4 DC H6 . . B . 5 DC H5 . B . 4 C H6 . . . B . 5 C H5 . . rr_1ntq 1
44 1 . . 1 1 2 2 A H1' H . . . 1 1 3 3 A H8 H . . . . . . 2.386 5.566 . . . . . A . 3 A H1' . . A . 4 A H8 . 1 . 3 A H1' . . . 1 . 4 A H8 . . rr_1ntq 1
45 1 . . 1 1 3 3 A H8 H . . . 1 1 3 3 A H1' H . . . . . . 2.466 5.755 . . . . . A . 4 A H8 . . A . 4 A H1' . 1 . 4 A H8 . . . 1 . 4 A H1' . . rr_1ntq 1
46 1 . . 1 1 3 3 A H8 H . . . 1 1 3 3 A H2' H . . . . . . 1.750 4.083 . . . . . A . 4 A H8 . . A . 4 A H2' . 1 . 4 A H8 . . . 1 . 4 A H2' . . rr_1ntq 1
47 1 . . 1 1 3 3 A H8 H . . . 1 1 3 3 A H3' H . . . . . . 2.111 4.926 . . . . . A . 4 A H8 . . A . 4 A H3' . 1 . 4 A H8 . . . 1 . 4 A H3' . . rr_1ntq 1
48 1 . . 1 1 3 3 A H1' H . . . 1 1 2 2 A H2 H . . . . . . 2.599 6.000 . . . . . A . 4 A H1' . . A . 3 A H2 . 1 . 4 A H1' . . . 1 . 3 A H2 . . rr_1ntq 1
49 1 . . 2 2 4 4 DC H6 H . . . 2 2 4 4 DC H1' H . . . . . . 2.498 5.829 . . . . . B . 4 DC H6 . . B . 4 DC H1' . B . 4 C H6 . . . B . 4 C H1' . . rr_1ntq 1
50 1 . . 2 2 4 4 DC H2' H . . . 2 2 4 4 DC H1' H . . . . . . 2.003 4.673 . . . . . B . 4 DC H2' . . B . 4 DC H1' . B . 4 C H2'1 . . . B . 4 C H1' . . rr_1ntq 1
51 1 . . 1 1 3 3 A H1' H . . . 1 1 3 3 A H2' H . . . . . . 1.806 4.215 . . . . . A . 4 A H1' . . A . 4 A H2' . 1 . 4 A H1' . . . 1 . 4 A H2' . . rr_1ntq 1
52 1 . . 2 2 4 4 DC H1' H . . . 2 2 4 4 DC H2'' H . . . . . . 1.705 3.977 . . . . . B . 4 DC H1' . . B . 4 DC H2'' . B . 4 C H1' . . . B . 4 C H2'2 . . rr_1ntq 1
53 1 . . 2 2 4 4 DC H3' H . . . 2 2 4 4 DC H1' H . . . . . . 2.861 6.000 . . . . . B . 4 DC H3' . . B . 4 DC H1' . B . 4 C H3' . . . B . 4 C H1' . . rr_1ntq 1
54 1 . . 2 2 4 4 DC H1' H . . . 2 2 4 4 DC H4' H . . . . . . 2.124 4.955 . . . . . B . 4 DC H1' . . B . 4 DC H4' . B . 4 C H1' . . . B . 4 C H4' . . rr_1ntq 1
55 1 . . 1 1 3 3 A H1' H . . . 1 1 3 3 A H4' H . . . . . . 2.249 5.248 . . . . . A . 4 A H1' . . A . 4 A H4' . 1 . 4 A H1' . . . 1 . 4 A H4' . . rr_1ntq 1
56 1 . . 2 2 4 4 DC H2' H . . . 2 2 4 4 DC H3' H . . . . . . 1.651 3.852 . . . . . B . 4 DC H2' . . B . 4 DC H3' . B . 4 C H2'1 . . . B . 4 C H3' . . rr_1ntq 1
57 1 . . 2 2 4 4 DC H1' H . . . 2 2 5 5 DC H6 H . . . . . . 2.486 5.800 . . . . . B . 4 DC H1' . . B . 5 DC H6 . B . 4 C H1' . . . B . 5 C H6 . . rr_1ntq 1
58 1 . . 2 2 4 4 DC H2'' H . . . 2 2 5 5 DC H6 H . . . . . . 1.703 3.973 . . . . . B . 4 DC H2'' . . B . 5 DC H6 . B . 4 C H2'2 . . . B . 5 C H6 . . rr_1ntq 1
59 1 . . 2 2 4 4 DC H2' H . . . 2 2 5 5 DC H6 H . . . . . . 1.767 4.124 . . . . . B . 4 DC H2' . . B . 5 DC H6 . B . 4 C H2'1 . . . B . 5 C H6 . . rr_1ntq 1
60 1 . . 2 2 4 4 DC H3' H . . . 2 2 5 5 DC H6 H . . . . . . 1.848 4.311 . . . . . B . 4 DC H3' . . B . 5 DC H6 . B . 4 C H3' . . . B . 5 C H6 . . rr_1ntq 1
61 1 . . 2 2 5 5 DC H5 H . . . 2 2 5 5 DC H6 H . . . . . . 1.478 3.449 . . . . . B . 5 DC H5 . . B . 5 DC H6 . B . 5 C H5 . . . B . 5 C H6 . . rr_1ntq 1
62 1 . . 2 2 5 5 DC H6 H . . . 2 2 5 5 DC H2' H . . . . . . 1.819 4.245 . . . . . B . 5 DC H6 . . B . 5 DC H2' . B . 5 C H6 . . . B . 5 C H2'1 . . rr_1ntq 1
63 1 . . 2 2 5 5 DC H6 H . . . 2 2 6 6 DU H5 H . . . . . . 2.365 5.518 . . . . . B . 5 DC H6 . . B . 6 DU H5 . B . 5 C H6 . . . B . 6 U H5 . . rr_1ntq 1
64 1 . . 1 1 3 3 A H1' H . . . 1 1 4 4 G H8 H . . . . . . 2.875 6.000 . . . . . A . 4 A H1' . . A . 5 G H8 . 1 . 4 A H1' . . . 1 . 5 G H8 . . rr_1ntq 1
65 1 . . 1 1 3 3 A H2' H . . . 1 1 4 4 G H8 H . . . . . . 1.721 4.016 . . . . . A . 4 A H2' . . A . 5 G H8 . 1 . 4 A H2' . . . 1 . 5 G H8 . . rr_1ntq 1
66 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H1' H . . . . . . 3.058 6.000 . . . . . A . 5 G H8 . . A . 5 G H1' . 1 . 5 G H8 . . . 1 . 5 G H1' . . rr_1ntq 1
67 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H2' H . . . . . . 2.645 6.000 . . . . . A . 5 G H8 . . A . 5 G H2' . 1 . 5 G H8 . . . 1 . 5 G H2' . . rr_1ntq 1
68 1 . . 1 1 4 4 G H8 H . . . 1 1 4 4 G H3' H . . . . . . 1.848 4.311 . . . . . A . 5 G H8 . . A . 5 G H3' . 1 . 5 G H8 . . . 1 . 5 G H3' . . rr_1ntq 1
69 1 . . 1 1 4 4 G H1' H . . . 1 1 3 3 A H2 H . . . . . . 2.292 5.349 . . . . . A . 5 G H1' . . A . 4 A H2 . 1 . 5 G H1' . . . 1 . 4 A H2 . . rr_1ntq 1
70 1 . . 1 1 3 3 A H2' H . . . 1 1 4 4 G H1' H . . . . . . 2.389 5.575 . . . . . A . 4 A H2' . . A . 5 G H1' . 1 . 4 A H2' . . . 1 . 5 G H1' . . rr_1ntq 1
71 1 . . 2 2 5 5 DC H6 H . . . 2 2 5 5 DC H1' H . . . . . . 2.678 6.000 . . . . . B . 5 DC H6 . . B . 5 DC H1' . B . 5 C H6 . . . B . 5 C H1' . . rr_1ntq 1
72 1 . . 2 2 5 5 DC H2' H . . . 2 2 5 5 DC H1' H . . . . . . 1.916 4.472 . . . . . B . 5 DC H2' . . B . 5 DC H1' . B . 5 C H2'1 . . . B . 5 C H1' . . rr_1ntq 1
73 1 . . 2 2 5 5 DC H1' H . . . 2 2 5 5 DC H2'' H . . . . . . 1.689 3.942 . . . . . B . 5 DC H1' . . B . 5 DC H2'' . B . 5 C H1' . . . B . 5 C H2'2 . . rr_1ntq 1
74 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H2' H . . . . . . 1.946 4.540 . . . . . A . 5 G H1' . . A . 5 G H2' . 1 . 5 G H1' . . . 1 . 5 G H2' . . rr_1ntq 1
75 1 . . 1 1 4 4 G H1' H . . . 1 1 4 4 G H3' H . . . . . . 2.081 4.855 . . . . . A . 5 G H1' . . A . 5 G H3' . 1 . 5 G H1' . . . 1 . 5 G H3' . . rr_1ntq 1
76 1 . . 2 2 5 5 DC H1' H . . . 2 2 5 5 DC H3' H . . . . . . 3.507 6.000 . . . . . B . 5 DC H1' . . B . 5 DC H3' . B . 5 C H1' . . . B . 5 C H3' . . rr_1ntq 1
77 1 . . 2 2 5 5 DC H1' H . . . 2 2 5 5 DC H4' H . . . . . . 1.971 4.599 . . . . . B . 5 DC H1' . . B . 5 DC H4' . B . 5 C H1' . . . B . 5 C H4' . . rr_1ntq 1
78 1 . . 2 2 5 5 DC H1' H . . . 2 2 6 6 DU H6 H . . . . . . 2.629 6.000 . . . . . B . 5 DC H1' . . B . 6 DU H6 . B . 5 C H1' . . . B . 6 U H6 . . rr_1ntq 1
79 1 . . 1 1 4 4 G H1' H . . . 1 1 5 5 G H8 H . . . . . . 3.190 6.000 . . . . . A . 5 G H1' . . A . 6 G H8 . 1 . 5 G H1' . . . 1 . 6 G H8 . . rr_1ntq 1
80 1 . . 2 2 5 5 DC H6 H . . . 2 2 5 5 DC H3' H . . . . . . 2.522 5.885 . . . . . B . 5 DC H6 . . B . 5 DC H3' . B . 5 C H6 . . . B . 5 C H3' . . rr_1ntq 1
81 1 . . 2 2 5 5 DC H2' H . . . 2 2 5 5 DC H3' H . . . . . . 1.646 3.840 . . . . . B . 5 DC H2' . . B . 5 DC H3' . B . 5 C H2'1 . . . B . 5 C H3' . . rr_1ntq 1
82 1 . . 2 2 5 5 DC H2'' H . . . 2 2 6 6 DU H6 H . . . . . . 1.569 3.662 . . . . . B . 5 DC H2'' . . B . 6 DU H6 . B . 5 C H2'2 . . . B . 6 U H6 . . rr_1ntq 1
83 1 . . 2 2 6 6 DU H5 H . . . 2 2 6 6 DU H6 H . . . . . . 1.505 3.512 . . . . . B . 6 DU H5 . . B . 6 DU H6 . B . 6 U H5 . . . B . 6 U H6 . . rr_1ntq 1
84 1 . . 2 2 6 6 DU H6 H . . . 2 2 6 6 DU H1' H . . . . . . 2.569 5.994 . . . . . B . 6 DU H6 . . B . 6 DU H1' . B . 6 U H6 . . . B . 6 U H1' . . rr_1ntq 1
85 1 . . 2 2 6 6 DU H6 H . . . 2 2 6 6 DU H2' H . . . . . . 1.491 3.480 . . . . . B . 6 DU H6 . . B . 6 DU H2' . B . 6 U H6 . . . B . 6 U H2'1 . . rr_1ntq 1
86 1 . . 2 2 6 6 DU H6 H . . . 2 2 6 6 DU H3' H . . . . . . 1.979 4.617 . . . . . B . 6 DU H6 . . B . 6 DU H3' . B . 6 U H6 . . . B . 6 U H3' . . rr_1ntq 1
87 1 . . 1 1 4 4 G H2' H . . . 1 1 5 5 G H8 H . . . . . . 1.643 3.834 . . . . . A . 5 G H2' . . A . 6 G H8 . 1 . 5 G H2' . . . 1 . 6 G H8 . . rr_1ntq 1
88 1 . . 1 1 5 5 G H8 H . . . 1 1 5 5 G H1' H . . . . . . 2.211 5.160 . . . . . A . 6 G H8 . . A . 6 G H1' . 1 . 6 G H8 . . . 1 . 6 G H1' . . rr_1ntq 1
89 1 . . 2 2 6 6 DU H1' H . . . 2 2 6 6 DU H2'' H . . . . . . 1.697 3.960 . . . . . B . 6 DU H1' . . B . 6 DU H2'' . B . 6 U H1' . . . B . 6 U H2'2 . . rr_1ntq 1
90 1 . . 2 2 6 6 DU H1' H . . . 2 2 6 6 DU H2' H . . . . . . 1.841 4.296 . . . . . B . 6 DU H1' . . B . 6 DU H2' . B . 6 U H1' . . . B . 6 U H2'1 . . rr_1ntq 1
91 1 . . 2 2 6 6 DU H1' H . . . 2 2 6 6 DU H3' H . . . . . . 2.667 6.000 . . . . . B . 6 DU H1' . . B . 6 DU H3' . B . 6 U H1' . . . B . 6 U H3' . . rr_1ntq 1
92 1 . . 2 2 6 6 DU H1' H . . . 2 2 6 6 DU H4' H . . . . . . 2.041 4.762 . . . . . B . 6 DU H1' . . B . 6 DU H4' . B . 6 U H1' . . . B . 6 U H4' . . rr_1ntq 1
93 1 . . 2 2 6 6 DU H1' H . . . 2 2 7 7 DU H6 H . . . . . . 2.775 6.000 . . . . . B . 6 DU H1' . . B . 7 DU H6 . B . 6 U H1' . . . B . 7 U3' H6 . . rr_1ntq 1
94 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H2' H . . . . . . 1.685 3.932 . . . . . A . 6 G H1' . . A . 6 G H2' . 1 . 6 G H1' . . . 1 . 6 G H2' . . rr_1ntq 1
95 1 . . 1 1 5 5 G H8 H . . . 1 1 5 5 G H3' H . . . . . . 1.713 3.997 . . . . . A . 6 G H8 . . A . 6 G H3' . 1 . 6 G H8 . . . 1 . 6 G H3' . . rr_1ntq 1
96 1 . . 2 2 6 6 DU H3' H . . . 2 2 6 6 DU H2'' H . . . . . . 1.788 4.171 . . . . . B . 6 DU H3' . . B . 6 DU H2'' . B . 6 U H3' . . . B . 6 U H2'2 . . rr_1ntq 1
97 1 . . 2 2 6 6 DU H2' H . . . 2 2 6 6 DU H3' H . . . . . . 1.596 3.723 . . . . . B . 6 DU H2' . . B . 6 DU H3' . B . 6 U H2'1 . . . B . 6 U H3' . . rr_1ntq 1
98 1 . . 2 2 4 4 DC H1' H . . . 1 1 6 6 A H2 H . . . . . . 2.298 5.361 . . . . . B . 4 DC H1' . . A . 7 A H2 . B . 4 C H1' . . . 1 . 7 A H2 . . rr_1ntq 1
99 1 . . 1 1 6 6 A H2 H . . . 1 1 6 6 A H1' H . . . . . . 3.411 6.000 . . . . . A . 7 A H2 . . A . 7 A H1' . 1 . 7 A H2 . . . 1 . 7 A H1' . . rr_1ntq 1
100 1 . . 1 1 6 6 A H2 H . . . 1 1 7 7 G H1' H . . . . . . 1.939 4.524 . . . . . A . 7 A H2 . . A . 8 G H1' . 1 . 7 A H2 . . . 1 . 8 G H1' . . rr_1ntq 1
101 1 . . 2 2 6 6 DU H2'' H . . . 2 2 7 7 DU H6 H . . . . . . 1.861 4.342 . . . . . B . 6 DU H2'' . . B . 7 DU H6 . B . 6 U H2'2 . . . B . 7 U3' H6 . . rr_1ntq 1
102 1 . . 2 2 6 6 DU H2' H . . . 2 2 7 7 DU H6 H . . . . . . 1.967 4.590 . . . . . B . 6 DU H2' . . B . 7 DU H6 . B . 6 U H2'1 . . . B . 7 U3' H6 . . rr_1ntq 1
103 1 . . 2 2 7 7 DU H6 H . . . 2 2 7 7 DU H5 H . . . . . . 1.529 3.568 . . . . . B . 7 DU H6 . . B . 7 DU H5 . B . 7 U3' H6 . . . B . 7 U3' H5 . . rr_1ntq 1
104 1 . . 2 2 7 7 DU H6 H . . . 2 2 7 7 DU H2' H . . . . . . 1.562 3.644 . . . . . B . 7 DU H6 . . B . 7 DU H2' . B . 7 U3' H6 . . . B . 7 U3' H2'1 . . rr_1ntq 1
105 1 . . 1 1 5 5 G H1' H . . . 1 1 6 6 A H8 H . . . . . . 2.518 5.875 . . . . . A . 6 G H1' . . A . 7 A H8 . 1 . 6 G H1' . . . 1 . 7 A H8 . . rr_1ntq 1
106 1 . . 1 1 5 5 G H3' H . . . 1 1 6 6 A H8 H . . . . . . 2.075 4.843 . . . . . A . 6 G H3' . . A . 7 A H8 . 1 . 6 G H3' . . . 1 . 7 A H8 . . rr_1ntq 1
107 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H8 H . . . . . . 2.355 5.494 . . . . . A . 7 A H1' . . A . 7 A H8 . 1 . 7 A H1' . . . 1 . 7 A H8 . . rr_1ntq 1
108 1 . . 1 1 5 5 G H2' H . . . 1 1 6 6 A H8 H . . . . . . 1.640 3.828 . . . . . A . 6 G H2' . . A . 7 A H8 . 1 . 6 G H2' . . . 1 . 7 A H8 . . rr_1ntq 1
109 1 . . 2 2 7 7 DU H6 H . . . 2 2 7 7 DU H1' H . . . . . . 2.452 5.722 . . . . . B . 7 DU H6 . . B . 7 DU H1' . B . 7 U3' H6 . . . B . 7 U3' H1' . . rr_1ntq 1
110 1 . . 2 2 7 7 DU H2' H . . . 2 2 7 7 DU H1' H . . . . . . 1.967 4.590 . . . . . B . 7 DU H2' . . B . 7 DU H1' . B . 7 U3' H2'1 . . . B . 7 U3' H1' . . rr_1ntq 1
111 1 . . 2 2 7 7 DU H1' H . . . 2 2 7 7 DU H3' H . . . . . . 2.925 6.000 . . . . . B . 7 DU H1' . . B . 7 DU H3' . B . 7 U3' H1' . . . B . 7 U3' H3' . . rr_1ntq 1
112 1 . . 2 2 7 7 DU H1' H . . . 2 2 7 7 DU H4' H . . . . . . 2.463 5.747 . . . . . B . 7 DU H1' . . B . 7 DU H4' . B . 7 U3' H1' . . . B . 7 U3' H4' . . rr_1ntq 1
113 1 . . 1 1 6 6 A H1' H . . . 1 1 7 7 G H8 H . . . . . . 2.528 5.898 . . . . . A . 7 A H1' . . A . 8 G H8 . 1 . 7 A H1' . . . 1 . 8 G H8 . . rr_1ntq 1
114 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H2' H . . . . . . 2.063 4.815 . . . . . A . 7 A H8 . . A . 7 A H2' . 1 . 7 A H8 . . . 1 . 7 A H2' . . rr_1ntq 1
115 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H2' H . . . . . . 1.598 3.728 . . . . . A . 7 A H1' . . A . 7 A H2' . 1 . 7 A H1' . . . 1 . 7 A H2' . . rr_1ntq 1
116 1 . . 1 1 7 7 G H8 H . . . 1 1 6 6 A H2' H . . . . . . 1.593 3.718 . . . . . A . 8 G H8 . . A . 7 A H2' . 1 . 8 G H8 . . . 1 . 7 A H2' . . rr_1ntq 1
117 1 . . 1 1 6 6 A H8 H . . . 1 1 6 6 A H3' H . . . . . . 1.951 4.552 . . . . . A . 7 A H8 . . A . 7 A H3' . 1 . 7 A H8 . . . 1 . 7 A H3' . . rr_1ntq 1
118 1 . . 1 1 7 7 G H8 H . . . 1 1 6 6 A H3' H . . . . . . 2.138 4.989 . . . . . A . 8 G H8 . . A . 7 A H3' . 1 . 8 G H8 . . . 1 . 7 A H3' . . rr_1ntq 1
119 1 . . 2 2 7 7 DU H2' H . . . 2 2 7 7 DU H4' H . . . . . . 1.891 4.413 . . . . . B . 7 DU H2' . . B . 7 DU H4' . B . 7 U3' H2'1 . . . B . 7 U3' H4' . . rr_1ntq 1
120 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H8 H . . . . . . 2.554 5.959 . . . . . A . 8 G H1' . . A . 8 G H8 . 1 . 8 G H1' . . . 1 . 8 G H8 . . rr_1ntq 1
121 1 . . 1 1 7 7 G H1' H . . . 1 1 8 8 G H8 H . . . . . . 2.616 6.000 . . . . . A . 8 G H1' . . A . 9 G H8 . 1 . 8 G H1' . . . 1 . 9 G H8 . . rr_1ntq 1
122 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H2' H . . . . . . 2.327 5.429 . . . . . A . 8 G H8 . . A . 8 G H2' . 1 . 8 G H8 . . . 1 . 8 G H2' . . rr_1ntq 1
123 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H2' H . . . . . . 1.589 3.708 . . . . . A . 8 G H1' . . A . 8 G H2' . 1 . 8 G H1' . . . 1 . 8 G H2' . . rr_1ntq 1
124 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H3' H . . . . . . 2.033 4.743 . . . . . A . 8 G H8 . . A . 8 G H3' . 1 . 8 G H8 . . . 1 . 8 G H3' . . rr_1ntq 1
125 1 . . 1 1 8 8 G H8 H . . . 1 1 7 7 G H2' H . . . . . . 1.623 3.787 . . . . . A . 9 G H8 . . A . 8 G H2' . 1 . 9 G H8 . . . 1 . 8 G H2' . . rr_1ntq 1
126 1 . . 1 1 8 8 G H8 H . . . 1 1 8 8 G H1' H . . . . . . 2.431 5.672 . . . . . A . 9 G H8 . . A . 9 G H1' . 1 . 9 G H8 . . . 1 . 9 G H1' . . rr_1ntq 1
127 1 . . 1 1 8 8 G H1' H . . . 1 1 8 8 G H4' H . . . . . . 1.897 4.426 . . . . . A . 9 G H1' . . A . 9 G H4' . 1 . 9 G H1' . . . 1 . 9 G H4' . . rr_1ntq 1
128 1 . . 1 1 8 8 G H1' H . . . 1 1 8 8 G H2' H . . . . . . 1.659 3.871 . . . . . A . 9 G H1' . . A . 9 G H2' . 1 . 9 G H1' . . . 1 . 9 G H2' . . rr_1ntq 1
129 1 . . 1 1 8 8 G H8 H . . . 1 1 8 8 G H3' H . . . . . . 1.938 4.522 . . . . . A . 9 G H8 . . A . 9 G H3' . 1 . 9 G H8 . . . 1 . 9 G H3' . . rr_1ntq 1
130 1 . . 1 1 8 8 G H2' H . . . 1 1 9 9 A H8 H . . . . . . 1.755 4.094 . . . . . A . 9 G H2' . . A . 10 A H8 . 1 . 9 G H2' . . . 1 . 10 A H8 . . rr_1ntq 1
131 1 . . 1 1 9 9 A H8 H . . . 1 1 9 9 A H1' H . . . . . . 2.361 5.510 . . . . . A . 10 A H8 . . A . 10 A H1' . 1 . 10 A H8 . . . 1 . 10 A H1' . . rr_1ntq 1
132 1 . . 1 1 9 9 A H8 H . . . 1 1 9 9 A H3' H . . . . . . 2.051 4.785 . . . . . A . 10 A H8 . . A . 10 A H3' . 1 . 10 A H8 . . . 1 . 10 A H3' . . rr_1ntq 1
133 1 . . 1 1 8 8 G H2' H . . . 1 1 9 9 A H1' H . . . . . . 2.479 5.785 . . . . . A . 9 G H2' . . A . 10 A H1' . 1 . 9 G H2' . . . 1 . 10 A H1' . . rr_1ntq 1
134 1 . . 1 1 9 9 A H1' H . . . 1 1 9 9 A H3' H . . . . . . 2.183 5.094 . . . . . A . 10 A H1' . . A . 10 A H3' . 1 . 10 A H1' . . . 1 . 10 A H3' . . rr_1ntq 1
135 1 . . 1 1 9 9 A H1' H . . . 1 1 9 9 A H2' H . . . . . . 1.618 3.775 . . . . . A . 10 A H1' . . A . 10 A H2' . 1 . 10 A H1' . . . 1 . 10 A H2' . . rr_1ntq 1
136 1 . . 1 1 1 1 A H8 H . . . 1 1 1 1 A H3' H . . . . . . 0.000 6.000 . . . . . A . 2 A H8 . . A . 2 A H3' . 1 . 2 A H8 . . . 1 . 2 A H3' . . rr_1ntq 1
137 1 . . 1 1 6 6 A H1' H . . . 1 1 6 6 A H4' H . . . . . . 0.000 6.000 . . . . . A . 7 A H1' . . A . 7 A H4' . 1 . 7 A H1' . . . 1 . 7 A H4' . . rr_1ntq 1
138 1 . . 1 1 7 7 G H8 H . . . 1 1 6 6 A H3' H . . . . . . 0.000 6.000 . . . . . A . 8 G H8 . . A . 7 A H3' . 1 . 8 G H8 . . . 1 . 7 A H3' . . rr_1ntq 1
139 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H4' H . . . . . . 0.000 6.000 . . . . . A . 8 G H8 . . A . 8 G H4' . 1 . 8 G H8 . . . 1 . 8 G H4' . . rr_1ntq 1
140 1 . . 1 1 9 9 A H1' H . . . 1 1 9 9 A H4' H . . . . . . 0.000 6.000 . . . . . A . 10 A H1' . . A . 10 A H4' . 1 . 10 A H1' . . . 1 . 10 A H4' . . rr_1ntq 1
141 1 . . 2 2 5 5 DC H5 H . . . 2 2 5 5 DC H6 H . . . . . . 0.000 6.000 . . . . . B . 5 DC H5 . . B . 5 DC H6 . B . 5 C H5 . . . B . 5 C H6 . . rr_1ntq 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 "************ STRANDS 1 & 2 TOGETHER" 1 1 5 1 rr_1ntq 1
2 "2.508 0.40/0.40:" 6 82 6 107 rr_1ntq 1
3 "2.956 0.40/0.40:" 7 82 7 107 rr_1ntq 1
4 "3.626 0.40/0.40:" 8 82 8 107 rr_1ntq 1
5 "3.919 0.40/0.40:" 9 82 9 107 rr_1ntq 1
6 "3.273 0.40/0.40:" 10 82 10 107 rr_1ntq 1
7 "3.233 0.40/0.40:" 11 82 11 107 rr_1ntq 1
8 "3.773 0.40/0.40:" 12 82 12 107 rr_1ntq 1
9 "2.419 0.40/0.40:" 13 82 13 107 rr_1ntq 1
10 "4.063 0.40/0.40:" 14 82 14 107 rr_1ntq 1
11 "2.531 0.40/0.40:" 15 82 15 107 rr_1ntq 1
12 "3.243 0.40/0.40:" 16 82 16 107 rr_1ntq 1
13 "3.459 0.40/0.40:" 17 82 17 107 rr_1ntq 1
14 "3.487 0.40/0.40:" 18 82 18 107 rr_1ntq 1
15 "3.311 0.40/0.40:" 19 82 19 107 rr_1ntq 1
16 "3.718 0.40/0.40:" 20 82 20 107 rr_1ntq 1
17 "3.180 0.40/0.40:" 21 82 21 107 rr_1ntq 1
18 "3.753 0.40/0.40:" 22 82 22 107 rr_1ntq 1
19 "3.501 0.40/0.40:" 23 82 23 107 rr_1ntq 1
20 "3.470 0.40/0.40:" 24 82 24 107 rr_1ntq 1
21 "3.863 0.40/0.40:" 25 82 25 107 rr_1ntq 1
22 "3.141 0.40/0.40:" 26 82 26 107 rr_1ntq 1
23 "3.396 0.40/0.40:" 27 82 27 107 rr_1ntq 1
24 "3.302 0.40/0.40:" 28 82 28 107 rr_1ntq 1
25 "4.321 0.40/0.40:" 29 82 29 107 rr_1ntq 1
26 "2.474 0.40/0.40:" 30 82 30 107 rr_1ntq 1
27 "2.468 0.40/0.40:" 31 82 31 107 rr_1ntq 1
28 "3.369 0.40/0.40:" 32 82 32 107 rr_1ntq 1
29 "3.147 0.40/0.40:" 33 82 33 107 rr_1ntq 1
30 "4.840 0.40/0.40:" 34 82 34 107 rr_1ntq 1
31 "4.119 0.40/0.40:" 35 82 35 107 rr_1ntq 1
32 "3.314 0.40/0.40:" 36 82 36 107 rr_1ntq 1
33 "2.902 0.40/0.40:" 37 82 37 107 rr_1ntq 1
34 "4.520 0.40/0.40:" 38 82 38 107 rr_1ntq 1
35 "3.347 0.40/0.40:" 39 82 39 107 rr_1ntq 1
36 "4.381 0.40/0.40:" 40 82 40 107 rr_1ntq 1
37 "3.119 0.40/0.40:" 41 82 41 107 rr_1ntq 1
38 "2.907 0.40/0.40:" 42 82 42 107 rr_1ntq 1
39 "3.635 0.40/0.40:" 43 82 43 107 rr_1ntq 1
40 "3.157 0.40/0.40:" 44 82 44 107 rr_1ntq 1
41 "3.334 0.40/0.40:" 45 82 45 107 rr_1ntq 1
42 "2.436 0.40/0.40:" 46 82 46 107 rr_1ntq 1
43 "3.316 0.40/0.40:" 47 82 47 107 rr_1ntq 1
44 "3.173 0.40/0.40:" 48 82 48 107 rr_1ntq 1
45 "4.136 0.40/0.40:" 49 82 49 107 rr_1ntq 1
46 "3.976 0.40/0.40:" 50 82 50 107 rr_1ntq 1
47 "4.111 0.40/0.40:" 51 82 51 107 rr_1ntq 1
48 "2.916 0.40/0.40:" 52 82 52 107 rr_1ntq 1
49 "3.519 0.40/0.40:" 53 82 53 107 rr_1ntq 1
50 "4.331 0.40/0.40:" 54 82 54 107 rr_1ntq 1
51 "4.163 0.40/0.40:" 55 82 55 107 rr_1ntq 1
52 "3.338 0.40/0.40:" 56 82 56 107 rr_1ntq 1
53 "3.011 0.40/0.40:" 57 82 57 107 rr_1ntq 1
54 "2.841 0.40/0.40:" 58 82 58 107 rr_1ntq 1
55 "4.768 0.40/0.40:" 59 82 59 107 rr_1ntq 1
56 "3.540 0.40/0.40:" 60 82 60 107 rr_1ntq 1
57 "3.749 0.40/0.40:" 61 82 61 107 rr_1ntq 1
58 "2.752 0.40/0.40:" 62 82 62 107 rr_1ntq 1
59 "4.143 0.40/0.40:" 63 82 63 107 rr_1ntq 1
60 "2.838 0.40/0.40:" 64 82 64 107 rr_1ntq 1
61 "2.946 0.40/0.40:" 65 82 65 107 rr_1ntq 1
62 "3.080 0.40/0.40:" 66 82 66 107 rr_1ntq 1
63 "2.464 0.40/0.40:" 67 82 67 107 rr_1ntq 1
64 "3.032 0.40/0.40:" 68 82 68 107 rr_1ntq 1
65 "3.941 0.40/0.40:" 69 82 69 107 rr_1ntq 1
66 "4.792 0.40/0.40:" 70 82 70 107 rr_1ntq 1
67 "2.869 0.40/0.40:" 71 82 71 107 rr_1ntq 1
68 "5.097 0.40/0.40:" 72 82 72 107 rr_1ntq 1
69 "4.409 0.40/0.40:" 73 82 73 107 rr_1ntq 1
70 "3.080 0.40/0.40:" 74 82 74 107 rr_1ntq 1
71 "3.821 0.40/0.40:" 75 82 75 107 rr_1ntq 1
72 "3.982 0.40/0.40:" 76 82 76 107 rr_1ntq 1
73 "4.463 0.40/0.40:" 77 82 77 107 rr_1ntq 1
74 "3.194 0.40/0.40:" 78 82 78 107 rr_1ntq 1
75 "2.816 0.40/0.40:" 79 82 79 107 rr_1ntq 1
76 "3.243 0.40/0.40:" 80 82 80 107 rr_1ntq 1
77 "3.468 0.40/0.40:" 81 82 81 107 rr_1ntq 1
78 "5.845 0.40/0.40:" 82 82 82 107 rr_1ntq 1
79 "3.285 0.40/0.40:" 83 82 83 107 rr_1ntq 1
80 "4.382 0.40/0.40:" 84 82 84 107 rr_1ntq 1
81 "5.317 0.40/0.40:" 85 82 85 107 rr_1ntq 1
82 "4.203 0.40/0.40:" 86 82 86 107 rr_1ntq 1
83 "2.743 0.40/0.40:" 87 82 87 107 rr_1ntq 1
84 "2.615 0.40/0.40:" 88 82 88 107 rr_1ntq 1
85 "2.508 0.40/0.40:" 89 82 89 107 rr_1ntq 1
86 "4.281 0.40/0.40:" 90 82 90 107 rr_1ntq 1
87 "2.485 0.40/0.40:" 91 82 91 107 rr_1ntq 1
88 "3.298 0.40/0.40:" 92 82 92 107 rr_1ntq 1
89 "2.738 0.40/0.40:" 93 82 93 107 rr_1ntq 1
90 "3.685 0.40/0.40:" 94 82 94 107 rr_1ntq 1
91 "2.829 0.40/0.40:" 95 82 95 107 rr_1ntq 1
92 "3.069 0.40/0.40:" 96 82 96 107 rr_1ntq 1
93 "4.444 0.40/0.40:" 97 82 97 107 rr_1ntq 1
94 "3.402 0.40/0.40:" 98 82 98 107 rr_1ntq 1
95 "4.625 0.40/0.40:" 99 82 99 107 rr_1ntq 1
96 "2.808 0.40/0.40:" 100 82 100 107 rr_1ntq 1
97 "2.855 0.40/0.40:" 101 82 101 107 rr_1ntq 1
98 "2.979 0.40/0.40:" 102 82 102 107 rr_1ntq 1
99 "2.659 0.40/0.40:" 103 82 103 107 rr_1ntq 1
100 "3.830 0.40/0.40:" 104 82 104 107 rr_1ntq 1
101 "5.684 0.40/0.40:" 105 82 105 107 rr_1ntq 1
102 "3.232 0.40/0.40:" 106 82 106 107 rr_1ntq 1
103 "3.101 0.40/0.40:" 107 82 107 107 rr_1ntq 1
104 "3.279 0.40/0.40:" 108 82 108 107 rr_1ntq 1
105 "2.549 0.40/0.40:" 109 82 109 107 rr_1ntq 1
106 "2.603 0.40/0.40:" 110 82 110 107 rr_1ntq 1
107 "4.196 0.40/0.40:" 111 82 111 107 rr_1ntq 1
108 "3.459 0.40/0.40:" 112 82 112 107 rr_1ntq 1
109 "3.925 0.40/0.40:" 113 82 113 107 rr_1ntq 1
110 "2.734 0.40/0.40:" 114 82 114 107 rr_1ntq 1
111 "4.087 0.40/0.40:" 115 82 115 107 rr_1ntq 1
112 "3.279 0.40/0.40:" 116 82 116 107 rr_1ntq 1
113 "4.874 0.40/0.40:" 117 82 117 107 rr_1ntq 1
114 "4.105 0.40/0.40:" 118 82 118 107 rr_1ntq 1
115 "4.213 0.40/0.40:" 119 82 119 107 rr_1ntq 1
116 "3.439 0.40/0.40:" 120 82 120 107 rr_1ntq 1
117 "2.663 0.40/0.40:" 121 82 121 107 rr_1ntq 1
118 "2.656 0.40/0.40:" 122 82 122 107 rr_1ntq 1
119 "3.252 0.40/0.40:" 123 82 123 107 rr_1ntq 1
120 "3.564 0.40/0.40:" 124 82 124 107 rr_1ntq 1
121 "3.152 0.40/0.40:" 125 82 125 107 rr_1ntq 1
122 "4.257 0.40/0.40:" 126 82 126 107 rr_1ntq 1
123 "4.360 0.40/0.40:" 127 82 127 107 rr_1ntq 1
124 "3.878 0.40/0.40:" 128 82 128 107 rr_1ntq 1
125 "2.649 0.40/0.40:" 129 82 129 107 rr_1ntq 1
126 "3.388 0.40/0.40:" 130 82 130 107 rr_1ntq 1
127 "2.705 0.40/0.40:" 131 82 131 107 rr_1ntq 1
128 "4.051 0.40/0.40:" 132 82 132 107 rr_1ntq 1
129 "3.162 0.40/0.40:" 133 82 133 107 rr_1ntq 1
130 "2.765 0.40/0.40:" 134 82 134 107 rr_1ntq 1
131 "3.230 0.40/0.40:" 135 82 135 107 rr_1ntq 1
132 "2.924 0.40/0.40:" 136 82 136 107 rr_1ntq 1
133 "3.936 0.40/0.40:" 137 82 137 107 rr_1ntq 1
134 "3.418 0.40/0.40:" 138 82 138 107 rr_1ntq 1
135 "4.132 0.40/0.40:" 139 82 139 107 rr_1ntq 1
136 "3.638 0.40/0.40:" 140 82 140 107 rr_1ntq 1
137 "3.765 0.40/0.40:" 141 82 141 107 rr_1ntq 1
138 "2.697 0.40/0.40:" 142 82 142 107 rr_1ntq 1
139 "3.179 0.40/0.40:" 143 82 143 107 rr_1ntq 1
140 "3.638 0.40/0.40:" 144 82 144 107 rr_1ntq 1
141 "3.853 0.40/0.40:" 145 82 145 107 rr_1ntq 1
142 "3.312 0.40/0.40:" 146 82 146 107 rr_1ntq 1
143 "3.186 0.40/0.40:" 147 82 147 107 rr_1ntq 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 3 2 1 "Not handling restraint 2, item 1, resonance(s) '1.1.H6' (nmrStar names),'1.1.H5' (nmrStar names) not linked" rr_1ntq 1
2 3 136 1 "Not handling restraint 136, item 1, resonance(s) '1.11.H8' (nmrStar names) not linked" rr_1ntq 1
3 3 138 1 "Not handling restraint 138, item 1, resonance(s) '1.11.H8' (nmrStar names) not linked" rr_1ntq 1
4 3 139 1 "Not handling restraint 139, item 1, resonance(s) '1.11.H8' (nmrStar names),'1.11.H1'' (nmrStar names) not linked" rr_1ntq 1
5 3 140 1 "Not handling restraint 140, item 1, resonance(s) '1.11.H8' (nmrStar names),'1.11.H3'' (nmrStar names) not linked" rr_1ntq 1
6 3 141 1 "Not handling restraint 141, item 1, resonance(s) '1.11.H1'' (nmrStar names),'1.11.H4'' (nmrStar names) not linked" rr_1ntq 1
7 3 142 1 "Not handling restraint 142, item 1, resonance(s) '1.11.H1'' (nmrStar names),'1.11.H2'' (nmrStar names) not linked" rr_1ntq 1
stop_
save_
save_Discover_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1ntq
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
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_1ntq 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 2 2 A N1 N . . . 2 2 7 7 DU H3 H . . . . . . 1.8 2.5 . . . . . A . 3 A N1 . . B . 7 DU H3 . 1 . 3 A N1 . . . B . 7 U3' H3 . . rr_1ntq 2
2 1 . . 1 1 2 2 A H61 H . . . 2 2 7 7 DU O4 O . . . . . . 1.8 2.5 . . . . . A . 3 A H61 . . B . 7 DU O4 . 1 . 3 A H61 . . . B . 7 U3' O4 . . rr_1ntq 2
3 1 . . 1 1 3 3 A N1 N . . . 2 2 6 6 DU H3 H . . . . . . 1.8 2.5 . . . . . A . 4 A N1 . . B . 6 DU H3 . 1 . 4 A N1 . . . B . 6 U H3 . . rr_1ntq 2
4 1 . . 1 1 3 3 A H61 H . . . 2 2 6 6 DU O4 O . . . . . . 1.8 2.5 . . . . . A . 4 A H61 . . B . 6 DU O4 . 1 . 4 A H61 . . . B . 6 U O4 . . rr_1ntq 2
5 1 . . 1 1 4 4 G H1 H . . . 2 2 5 5 DC N3 N . . . . . . 1.8 2.5 . . . . . A . 5 G H1 . . B . 5 DC N3 . 1 . 5 G H1 . . . B . 5 C N3 . . rr_1ntq 2
6 1 . . 1 1 4 4 G O6 O . . . 2 2 5 5 DC H42 H . . . . . . 1.8 2.5 . . . . . A . 5 G O6 . . B . 5 DC H42 . 1 . 5 G O6 . . . B . 5 C H42 . . rr_1ntq 2
7 1 . . 1 1 4 4 G H22 H . . . 2 2 5 5 DC O2 O . . . . . . 1.8 2.5 . . . . . A . 5 G H22 . . B . 5 DC O2 . 1 . 5 G H22 . . . B . 5 C O2 . . rr_1ntq 2
8 1 . . 1 1 5 5 G H1 H . . . 2 2 4 4 DC N3 N . . . . . . 1.8 2.5 . . . . . A . 6 G H1 . . B . 4 DC N3 . 1 . 6 G H1 . . . B . 4 C N3 . . rr_1ntq 2
9 1 . . 1 1 5 5 G O6 O . . . 2 2 4 4 DC H42 H . . . . . . 1.8 2.5 . . . . . A . 6 G O6 . . B . 4 DC H42 . 1 . 6 G O6 . . . B . 4 C H42 . . rr_1ntq 2
10 1 . . 1 1 5 5 G H22 H . . . 2 2 4 4 DC O2 O . . . . . . 1.8 2.5 . . . . . A . 6 G H22 . . B . 4 DC O2 . 1 . 6 G H22 . . . B . 4 C O2 . . rr_1ntq 2
11 1 . . 1 1 6 6 A N1 N . . . 2 2 3 3 DU H3 H . . . . . . 1.8 2.5 . . . . . A . 7 A N1 . . B . 3 DU H3 . 1 . 7 A N1 . . . B . 3 U H3 . . rr_1ntq 2
12 1 . . 1 1 6 6 A H61 H . . . 2 2 3 3 DU O4 O . . . . . . 1.8 2.5 . . . . . A . 7 A H61 . . B . 3 DU O4 . 1 . 7 A H61 . . . B . 3 U O4 . . rr_1ntq 2
13 1 . . 1 1 7 7 G H1 H . . . 2 2 2 2 DC N3 N . . . . . . 1.8 2.5 . . . . . A . 8 G H1 . . B . 2 DC N3 . 1 . 8 G H1 . . . B . 2 C N3 . . rr_1ntq 2
14 1 . . 1 1 7 7 G O6 O . . . 2 2 2 2 DC H42 H . . . . . . 1.8 2.5 . . . . . A . 8 G O6 . . B . 2 DC H42 . 1 . 8 G O6 . . . B . 2 C H42 . . rr_1ntq 2
15 1 . . 1 1 7 7 G H22 H . . . 2 2 2 2 DC O2 O . . . . . . 1.8 2.5 . . . . . A . 8 G H22 . . B . 2 DC O2 . 1 . 8 G H22 . . . B . 2 C O2 . . rr_1ntq 2
16 1 . . 1 1 8 8 G H1 H . . . 2 2 1 1 DC N3 N . . . . . . 1.8 2.5 . . . . . A . 9 G H1 . . B . 1 DC N3 . 1 . 9 G H1 . . . B . 1 C5' N3 . . rr_1ntq 2
17 1 . . 1 1 8 8 G O6 O . . . 2 2 1 1 DC H42 H . . . . . . 1.8 2.5 . . . . . A . 9 G O6 . . B . 1 DC H42 . 1 . 9 G O6 . . . B . 1 C5' H42 . . rr_1ntq 2
18 1 . . 1 1 8 8 G H22 H . . . 2 2 1 1 DC O2 O . . . . . . 1.8 2.5 . . . . . A . 9 G H22 . . B . 1 DC O2 . 1 . 9 G H22 . . . B . 1 C5' O2 . . rr_1ntq 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1
;BIOSYM restraint 1 See Table S2 of Supporting Information for an Experimental Distance Restraint table for ODN:RNA, PrODN:RNA, and sPrODN1:RNA. #distance Hydrogen bonding distances (based on Theoretical numbers and observed NOEs between
exchangeable protons on 1D and 2D NOESY spectra
;
1 1 9 1 rr_1ntq 2
2 Hbond 10 90 10 95 rr_1ntq 2
3 Hbond 11 90 11 95 rr_1ntq 2
4 Hbond 12 90 12 95 rr_1ntq 2
5 Hbond 13 90 13 95 rr_1ntq 2
6 Hbond 14 90 14 95 rr_1ntq 2
7 Hbond 15 90 15 95 rr_1ntq 2
8 Hbond 16 90 16 95 rr_1ntq 2
9 Hbond 17 90 17 95 rr_1ntq 2
10 Hbond 18 90 18 95 rr_1ntq 2
11 Hbond 19 90 19 95 rr_1ntq 2
12 Hbond 20 90 20 95 rr_1ntq 2
13 Hbond 21 90 21 95 rr_1ntq 2
14 Hbond 22 90 22 95 rr_1ntq 2
15 Hbond 23 90 23 95 rr_1ntq 2
16 Hbond 24 90 24 95 rr_1ntq 2
17 Hbond 25 90 25 95 rr_1ntq 2
18 Hbond 26 90 26 95 rr_1ntq 2
stop_
save_
save_Discover_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_1ntq
_Distance_constraint_list.ID 2
_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 3
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_1ntq 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1ntq 1
2 1 . . . rr_1ntq 1
3 1 . . . rr_1ntq 1
4 1 . . . rr_1ntq 1
5 1 . . . rr_1ntq 1
6 1 . . . rr_1ntq 1
7 1 . . . rr_1ntq 1
8 1 . . . rr_1ntq 1
9 1 . . . rr_1ntq 1
10 1 . . . rr_1ntq 1
11 1 . . . rr_1ntq 1
12 1 . . . rr_1ntq 1
13 1 . . . rr_1ntq 1
14 1 . . . rr_1ntq 1
15 1 . . . rr_1ntq 1
16 1 . . . rr_1ntq 1
17 1 . . . rr_1ntq 1
18 1 . . . rr_1ntq 1
19 1 . . . rr_1ntq 1
20 1 . . . rr_1ntq 1
21 1 . . . rr_1ntq 1
22 1 . . . rr_1ntq 1
23 1 . . . rr_1ntq 1
24 1 . . . rr_1ntq 1
25 1 . . . rr_1ntq 1
26 1 . . . rr_1ntq 1
27 1 . . . rr_1ntq 1
28 1 . . . rr_1ntq 1
29 1 . . . rr_1ntq 1
30 1 . . . rr_1ntq 1
31 1 . . . rr_1ntq 1
32 1 . . . rr_1ntq 1
33 1 . . . rr_1ntq 1
34 1 . . . rr_1ntq 1
35 1 . . . rr_1ntq 1
36 1 . . . rr_1ntq 1
37 1 . . . rr_1ntq 1
38 1 . . . rr_1ntq 1
39 1 . . . rr_1ntq 1
40 1 . . . rr_1ntq 1
41 1 . . . rr_1ntq 1
42 1 . . . rr_1ntq 1
43 1 . . . rr_1ntq 1
44 1 . . . rr_1ntq 1
45 1 . . . rr_1ntq 1
46 1 . . . rr_1ntq 1
47 1 . . . rr_1ntq 1
48 1 . . . rr_1ntq 1
49 1 . . . rr_1ntq 1
50 1 . . . rr_1ntq 1
51 1 . . . rr_1ntq 1
52 1 . . . rr_1ntq 1
53 1 . . . rr_1ntq 1
54 1 . . . rr_1ntq 1
55 1 . . . rr_1ntq 1
56 1 . . . rr_1ntq 1
57 1 . . . rr_1ntq 1
58 1 . . . rr_1ntq 1
59 1 . . . rr_1ntq 1
60 1 . . . rr_1ntq 1
61 1 . . . rr_1ntq 1
62 1 . . . rr_1ntq 1
63 1 . . . rr_1ntq 1
64 1 . . . rr_1ntq 1
65 1 . . . rr_1ntq 1
66 1 . . . rr_1ntq 1
67 1 . . . rr_1ntq 1
68 1 . . . rr_1ntq 1
69 1 . . . rr_1ntq 1
70 1 . . . rr_1ntq 1
71 1 . . . rr_1ntq 1
72 1 . . . rr_1ntq 1
73 1 . . . rr_1ntq 1
74 1 . . . rr_1ntq 1
75 1 . . . rr_1ntq 1
76 1 . . . rr_1ntq 1
77 1 . . . rr_1ntq 1
78 1 . . . rr_1ntq 1
79 1 . . . rr_1ntq 1
80 1 . . . rr_1ntq 1
81 1 . . . rr_1ntq 1
82 1 . . . rr_1ntq 1
83 1 . . . rr_1ntq 1
84 1 . . . rr_1ntq 1
85 1 . . . rr_1ntq 1
86 1 . . . rr_1ntq 1
87 1 . . . rr_1ntq 1
88 1 . . . rr_1ntq 1
89 1 . . . rr_1ntq 1
90 1 . . . rr_1ntq 1
91 1 . . . rr_1ntq 1
92 1 . . . rr_1ntq 1
93 1 . . . rr_1ntq 1
94 1 . . . rr_1ntq 1
95 1 . . . rr_1ntq 1
96 1 . . . rr_1ntq 1
97 1 . . . rr_1ntq 1
98 1 . . . rr_1ntq 1
99 1 . . . rr_1ntq 1
100 1 . . . rr_1ntq 1
101 1 . . . rr_1ntq 1
102 1 . . . rr_1ntq 1
103 1 . . . rr_1ntq 1
104 1 . . . rr_1ntq 1
105 1 . . . rr_1ntq 1
106 1 . . . rr_1ntq 1
107 1 . . . rr_1ntq 1
108 1 . . . rr_1ntq 1
109 1 . . . rr_1ntq 1
110 1 . . . rr_1ntq 1
111 1 . . . rr_1ntq 1
112 1 . . . rr_1ntq 1
113 1 . . . rr_1ntq 1
114 1 . . . rr_1ntq 1
115 1 . . . rr_1ntq 1
116 1 . . . rr_1ntq 1
117 1 . . . rr_1ntq 1
118 1 . . . rr_1ntq 1
119 1 . . . rr_1ntq 1
120 1 . . . rr_1ntq 1
121 1 . . . rr_1ntq 1
122 1 . . . rr_1ntq 1
123 1 . . . rr_1ntq 1
124 1 . . . rr_1ntq 1
125 1 . . . rr_1ntq 1
126 1 . . . rr_1ntq 1
127 1 . . . rr_1ntq 1
128 1 . . . rr_1ntq 1
129 1 . . . rr_1ntq 1
130 1 . . . rr_1ntq 1
131 1 . . . rr_1ntq 1
132 1 . . . rr_1ntq 1
133 1 . . . rr_1ntq 1
134 1 . . . rr_1ntq 1
135 1 . . . rr_1ntq 1
136 1 . . . rr_1ntq 1
137 1 . . . rr_1ntq 1
138 1 . . . rr_1ntq 1
139 1 . . . rr_1ntq 1
140 1 . . . rr_1ntq 1
141 1 . . . rr_1ntq 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 2 2 1 1 DC H6 H . . B . 1 C5' H6 rr_1ntq 1
1 1 . 2 . 2 2 1 1 DC H5 H . . B . 1 C5' H5 rr_1ntq 1
2 1 . 1 . 2 2 1 1 DC H6 H . . B . 1 C5' H6 rr_1ntq 1
2 1 . 2 . 2 2 1 1 DC H1' H . . B . 1 C5' H1' rr_1ntq 1
3 1 . 1 . 2 2 1 1 DC H3' H . . B . 1 C5' H3' rr_1ntq 1
3 1 . 2 . 2 2 1 1 DC H6 H . . B . 1 C5' H6 rr_1ntq 1
4 1 . 1 . 2 2 1 1 DC H3' H . . B . 1 C5' H3' rr_1ntq 1
4 1 . 2 . 2 2 1 1 DC H2' H . . B . 1 C5' H2'1 rr_1ntq 1
5 1 . 1 . 2 2 1 1 DC H4' H . . B . 1 C5' H4' rr_1ntq 1
5 1 . 2 . 2 2 1 1 DC H1' H . . B . 1 C5' H1' rr_1ntq 1
6 1 . 1 . 1 1 1 1 A H2 H . . 1 . 2 A H2 rr_1ntq 1
6 1 . 2 . 1 1 2 2 A H1' H . . 1 . 3 A H1' rr_1ntq 1
7 1 . 1 . 2 2 2 2 DC H6 H . . B . 2 C H6 rr_1ntq 1
7 1 . 2 . 2 2 1 1 DC H2' H . . B . 1 C5' H2'1 rr_1ntq 1
8 1 . 1 . 2 2 2 2 DC H6 H . . B . 2 C H6 rr_1ntq 1
8 1 . 2 . 2 2 1 1 DC H3' H . . B . 1 C5' H3' rr_1ntq 1
9 1 . 1 . 2 2 2 2 DC H6 H . . B . 2 C H6 rr_1ntq 1
9 1 . 2 . 2 2 2 2 DC H5 H . . B . 2 C H5 rr_1ntq 1
10 1 . 1 . 2 2 2 2 DC H6 H . . B . 2 C H6 rr_1ntq 1
10 1 . 2 . 2 2 2 2 DC H1' H . . B . 2 C H1' rr_1ntq 1
11 1 . 1 . 2 2 2 2 DC H6 H . . B . 2 C H6 rr_1ntq 1
11 1 . 2 . 2 2 2 2 DC H4' H . . B . 2 C H4' rr_1ntq 1
12 1 . 1 . 1 1 1 1 A H8 H . . 1 . 2 A H8 rr_1ntq 1
12 1 . 2 . 1 1 1 1 A H1' H . . 1 . 2 A H1' rr_1ntq 1
13 1 . 1 . 2 2 2 2 DC H1' H . . B . 2 C H1' rr_1ntq 1
13 1 . 2 . 2 2 2 2 DC H2' H . . B . 2 C H2'1 rr_1ntq 1
14 1 . 1 . 1 1 1 1 A H1' H . . 1 . 2 A H1' rr_1ntq 1
14 1 . 2 . 1 1 1 1 A H2' H . . 1 . 2 A H2' rr_1ntq 1
15 1 . 1 . 2 2 2 2 DC H1' H . . B . 2 C H1' rr_1ntq 1
15 1 . 2 . 2 2 2 2 DC H4' H . . B . 2 C H4' rr_1ntq 1
16 1 . 1 . 1 1 1 1 A H1' H . . 1 . 2 A H1' rr_1ntq 1
16 1 . 2 . 1 1 1 1 A H4' H . . 1 . 2 A H4' rr_1ntq 1
17 1 . 1 . 2 2 2 2 DC H3' H . . B . 2 C H3' rr_1ntq 1
17 1 . 2 . 2 2 2 2 DC H6 H . . B . 2 C H6 rr_1ntq 1
18 1 . 1 . 2 2 2 2 DC H3' H . . B . 2 C H3' rr_1ntq 1
18 1 . 2 . 2 2 2 2 DC H2' H . . B . 2 C H2'1 rr_1ntq 1
19 1 . 1 . 2 2 3 3 DU H5 H . . B . 3 U H5 rr_1ntq 1
19 1 . 2 . 2 2 2 2 DC H3' H . . B . 2 C H3' rr_1ntq 1
20 1 . 1 . 2 2 3 3 DU H5 H . . B . 3 U H5 rr_1ntq 1
20 1 . 2 . 2 2 2 2 DC H2' H . . B . 2 C H2'1 rr_1ntq 1
21 1 . 1 . 2 2 3 3 DU H6 H . . B . 3 U H6 rr_1ntq 1
21 1 . 2 . 2 2 2 2 DC H1' H . . B . 2 C H1' rr_1ntq 1
22 1 . 1 . 2 2 3 3 DU H6 H . . B . 3 U H6 rr_1ntq 1
22 1 . 2 . 2 2 2 2 DC H2'' H . . B . 2 C H2'2 rr_1ntq 1
23 1 . 1 . 2 2 3 3 DU H6 H . . B . 3 U H6 rr_1ntq 1
23 1 . 2 . 2 2 2 2 DC H3' H . . B . 2 C H3' rr_1ntq 1
24 1 . 1 . 2 2 3 3 DU H6 H . . B . 3 U H6 rr_1ntq 1
24 1 . 2 . 2 2 3 3 DU H5 H . . B . 3 U H5 rr_1ntq 1
25 1 . 1 . 2 2 3 3 DU H6 H . . B . 3 U H6 rr_1ntq 1
25 1 . 2 . 2 2 2 2 DC H2' H . . B . 2 C H2'1 rr_1ntq 1
26 1 . 1 . 2 2 3 3 DU H6 H . . B . 3 U H6 rr_1ntq 1
26 1 . 2 . 2 2 3 3 DU H3' H . . B . 3 U H3' rr_1ntq 1
27 1 . 1 . 1 1 2 2 A H8 H . . 1 . 3 A H8 rr_1ntq 1
27 1 . 2 . 1 1 1 1 A H2' H . . 1 . 2 A H2' rr_1ntq 1
28 1 . 1 . 1 1 2 2 A H8 H . . 1 . 3 A H8 rr_1ntq 1
28 1 . 2 . 1 1 2 2 A H1' H . . 1 . 3 A H1' rr_1ntq 1
29 1 . 1 . 2 2 3 3 DU H1' H . . B . 3 U H1' rr_1ntq 1
29 1 . 2 . 2 2 3 3 DU H6 H . . B . 3 U H6 rr_1ntq 1
30 1 . 1 . 2 2 3 3 DU H1' H . . B . 3 U H1' rr_1ntq 1
30 1 . 2 . 2 2 3 3 DU H2' H . . B . 3 U H2'1 rr_1ntq 1
31 1 . 1 . 2 2 3 3 DU H1' H . . B . 3 U H1' rr_1ntq 1
31 1 . 2 . 2 2 3 3 DU H2'' H . . B . 3 U H2'2 rr_1ntq 1
32 1 . 1 . 2 2 3 3 DU H1' H . . B . 3 U H1' rr_1ntq 1
32 1 . 2 . 2 2 3 3 DU H3' H . . B . 3 U H3' rr_1ntq 1
33 1 . 1 . 2 2 3 3 DU H1' H . . B . 3 U H1' rr_1ntq 1
33 1 . 2 . 2 2 3 3 DU H4' H . . B . 3 U H4' rr_1ntq 1
34 1 . 1 . 2 2 3 3 DU H1' H . . B . 3 U H1' rr_1ntq 1
34 1 . 2 . 2 2 4 4 DC H6 H . . B . 4 C H6 rr_1ntq 1
35 1 . 1 . 1 1 2 2 A H3' H . . 1 . 3 A H3' rr_1ntq 1
35 1 . 2 . 1 1 2 2 A H8 H . . 1 . 3 A H8 rr_1ntq 1
36 1 . 1 . 2 2 3 3 DU H3' H . . B . 3 U H3' rr_1ntq 1
36 1 . 2 . 2 2 3 3 DU H2' H . . B . 3 U H2'1 rr_1ntq 1
37 1 . 1 . 2 2 4 4 DC H5 H . . B . 4 C H5 rr_1ntq 1
37 1 . 2 . 2 2 3 3 DU H2' H . . B . 3 U H2'1 rr_1ntq 1
38 1 . 1 . 2 2 4 4 DC H6 H . . B . 4 C H6 rr_1ntq 1
38 1 . 2 . 2 2 3 3 DU H2' H . . B . 3 U H2'1 rr_1ntq 1
39 1 . 1 . 2 2 4 4 DC H6 H . . B . 4 C H6 rr_1ntq 1
39 1 . 2 . 2 2 3 3 DU H2'' H . . B . 3 U H2'2 rr_1ntq 1
40 1 . 1 . 2 2 4 4 DC H6 H . . B . 4 C H6 rr_1ntq 1
40 1 . 2 . 2 2 4 4 DC H5 H . . B . 4 C H5 rr_1ntq 1
41 1 . 1 . 2 2 4 4 DC H6 H . . B . 4 C H6 rr_1ntq 1
41 1 . 2 . 2 2 4 4 DC H2' H . . B . 4 C H2'1 rr_1ntq 1
42 1 . 1 . 2 2 4 4 DC H6 H . . B . 4 C H6 rr_1ntq 1
42 1 . 2 . 2 2 4 4 DC H3' H . . B . 4 C H3' rr_1ntq 1
43 1 . 1 . 2 2 4 4 DC H6 H . . B . 4 C H6 rr_1ntq 1
43 1 . 2 . 2 2 5 5 DC H5 H . . B . 5 C H5 rr_1ntq 1
44 1 . 1 . 1 1 3 3 A H8 H . . 1 . 4 A H8 rr_1ntq 1
44 1 . 2 . 1 1 2 2 A H1' H . . 1 . 3 A H1' rr_1ntq 1
45 1 . 1 . 1 1 3 3 A H8 H . . 1 . 4 A H8 rr_1ntq 1
45 1 . 2 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntq 1
46 1 . 1 . 1 1 3 3 A H8 H . . 1 . 4 A H8 rr_1ntq 1
46 1 . 2 . 1 1 3 3 A H2' H . . 1 . 4 A H2' rr_1ntq 1
47 1 . 1 . 1 1 3 3 A H8 H . . 1 . 4 A H8 rr_1ntq 1
47 1 . 2 . 1 1 3 3 A H3' H . . 1 . 4 A H3' rr_1ntq 1
48 1 . 1 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntq 1
48 1 . 2 . 1 1 2 2 A H2 H . . 1 . 3 A H2 rr_1ntq 1
49 1 . 1 . 2 2 4 4 DC H1' H . . B . 4 C H1' rr_1ntq 1
49 1 . 2 . 2 2 4 4 DC H6 H . . B . 4 C H6 rr_1ntq 1
50 1 . 1 . 2 2 4 4 DC H1' H . . B . 4 C H1' rr_1ntq 1
50 1 . 2 . 2 2 4 4 DC H2' H . . B . 4 C H2'1 rr_1ntq 1
51 1 . 1 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntq 1
51 1 . 2 . 1 1 3 3 A H2' H . . 1 . 4 A H2' rr_1ntq 1
52 1 . 1 . 2 2 4 4 DC H1' H . . B . 4 C H1' rr_1ntq 1
52 1 . 2 . 2 2 4 4 DC H2'' H . . B . 4 C H2'2 rr_1ntq 1
53 1 . 1 . 2 2 4 4 DC H1' H . . B . 4 C H1' rr_1ntq 1
53 1 . 2 . 2 2 4 4 DC H3' H . . B . 4 C H3' rr_1ntq 1
54 1 . 1 . 2 2 4 4 DC H1' H . . B . 4 C H1' rr_1ntq 1
54 1 . 2 . 2 2 4 4 DC H4' H . . B . 4 C H4' rr_1ntq 1
55 1 . 1 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntq 1
55 1 . 2 . 1 1 3 3 A H4' H . . 1 . 4 A H4' rr_1ntq 1
56 1 . 1 . 2 2 4 4 DC H3' H . . B . 4 C H3' rr_1ntq 1
56 1 . 2 . 2 2 4 4 DC H2' H . . B . 4 C H2'1 rr_1ntq 1
57 1 . 1 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
57 1 . 2 . 2 2 4 4 DC H1' H . . B . 4 C H1' rr_1ntq 1
58 1 . 1 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
58 1 . 2 . 2 2 4 4 DC H2'' H . . B . 4 C H2'2 rr_1ntq 1
59 1 . 1 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
59 1 . 2 . 2 2 4 4 DC H2' H . . B . 4 C H2'1 rr_1ntq 1
60 1 . 1 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
60 1 . 2 . 2 2 4 4 DC H3' H . . B . 4 C H3' rr_1ntq 1
61 1 . 1 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
61 1 . 2 . 2 2 5 5 DC H5 H . . B . 5 C H5 rr_1ntq 1
62 1 . 1 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
62 1 . 2 . 2 2 5 5 DC H2' H . . B . 5 C H2'1 rr_1ntq 1
63 1 . 1 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
63 1 . 2 . 2 2 6 6 DU H5 H . . B . 6 U H5 rr_1ntq 1
64 1 . 1 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntq 1
64 1 . 2 . 1 1 3 3 A H1' H . . 1 . 4 A H1' rr_1ntq 1
65 1 . 1 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntq 1
65 1 . 2 . 1 1 3 3 A H2' H . . 1 . 4 A H2' rr_1ntq 1
66 1 . 1 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntq 1
66 1 . 2 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntq 1
67 1 . 1 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntq 1
67 1 . 2 . 1 1 4 4 G H2' H . . 1 . 5 G H2' rr_1ntq 1
68 1 . 1 . 1 1 4 4 G H8 H . . 1 . 5 G H8 rr_1ntq 1
68 1 . 2 . 1 1 4 4 G H3' H . . 1 . 5 G H3' rr_1ntq 1
69 1 . 1 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntq 1
69 1 . 2 . 1 1 3 3 A H2 H . . 1 . 4 A H2 rr_1ntq 1
70 1 . 1 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntq 1
70 1 . 2 . 1 1 3 3 A H2' H . . 1 . 4 A H2' rr_1ntq 1
71 1 . 1 . 2 2 5 5 DC H1' H . . B . 5 C H1' rr_1ntq 1
71 1 . 2 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
72 1 . 1 . 2 2 5 5 DC H1' H . . B . 5 C H1' rr_1ntq 1
72 1 . 2 . 2 2 5 5 DC H2' H . . B . 5 C H2'1 rr_1ntq 1
73 1 . 1 . 2 2 5 5 DC H1' H . . B . 5 C H1' rr_1ntq 1
73 1 . 2 . 2 2 5 5 DC H2'' H . . B . 5 C H2'2 rr_1ntq 1
74 1 . 1 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntq 1
74 1 . 2 . 1 1 4 4 G H2' H . . 1 . 5 G H2' rr_1ntq 1
75 1 . 1 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntq 1
75 1 . 2 . 1 1 4 4 G H3' H . . 1 . 5 G H3' rr_1ntq 1
76 1 . 1 . 2 2 5 5 DC H1' H . . B . 5 C H1' rr_1ntq 1
76 1 . 2 . 2 2 5 5 DC H3' H . . B . 5 C H3' rr_1ntq 1
77 1 . 1 . 2 2 5 5 DC H1' H . . B . 5 C H1' rr_1ntq 1
77 1 . 2 . 2 2 5 5 DC H4' H . . B . 5 C H4' rr_1ntq 1
78 1 . 1 . 2 2 5 5 DC H1' H . . B . 5 C H1' rr_1ntq 1
78 1 . 2 . 2 2 6 6 DU H6 H . . B . 6 U H6 rr_1ntq 1
79 1 . 1 . 1 1 4 4 G H1' H . . 1 . 5 G H1' rr_1ntq 1
79 1 . 2 . 1 1 5 5 G H8 H . . 1 . 6 G H8 rr_1ntq 1
80 1 . 1 . 2 2 5 5 DC H3' H . . B . 5 C H3' rr_1ntq 1
80 1 . 2 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
81 1 . 1 . 2 2 5 5 DC H3' H . . B . 5 C H3' rr_1ntq 1
81 1 . 2 . 2 2 5 5 DC H2' H . . B . 5 C H2'1 rr_1ntq 1
82 1 . 1 . 2 2 6 6 DU H6 H . . B . 6 U H6 rr_1ntq 1
82 1 . 2 . 2 2 5 5 DC H2'' H . . B . 5 C H2'2 rr_1ntq 1
83 1 . 1 . 2 2 6 6 DU H6 H . . B . 6 U H6 rr_1ntq 1
83 1 . 2 . 2 2 6 6 DU H5 H . . B . 6 U H5 rr_1ntq 1
84 1 . 1 . 2 2 6 6 DU H6 H . . B . 6 U H6 rr_1ntq 1
84 1 . 2 . 2 2 6 6 DU H1' H . . B . 6 U H1' rr_1ntq 1
85 1 . 1 . 2 2 6 6 DU H6 H . . B . 6 U H6 rr_1ntq 1
85 1 . 2 . 2 2 6 6 DU H2' H . . B . 6 U H2'1 rr_1ntq 1
86 1 . 1 . 2 2 6 6 DU H6 H . . B . 6 U H6 rr_1ntq 1
86 1 . 2 . 2 2 6 6 DU H3' H . . B . 6 U H3' rr_1ntq 1
87 1 . 1 . 1 1 5 5 G H8 H . . 1 . 6 G H8 rr_1ntq 1
87 1 . 2 . 1 1 4 4 G H2' H . . 1 . 5 G H2' rr_1ntq 1
88 1 . 1 . 1 1 5 5 G H8 H . . 1 . 6 G H8 rr_1ntq 1
88 1 . 2 . 1 1 5 5 G H1' H . . 1 . 6 G H1' rr_1ntq 1
89 1 . 1 . 2 2 6 6 DU H1' H . . B . 6 U H1' rr_1ntq 1
89 1 . 2 . 2 2 6 6 DU H2'' H . . B . 6 U H2'2 rr_1ntq 1
90 1 . 1 . 2 2 6 6 DU H1' H . . B . 6 U H1' rr_1ntq 1
90 1 . 2 . 2 2 6 6 DU H2' H . . B . 6 U H2'1 rr_1ntq 1
91 1 . 1 . 2 2 6 6 DU H1' H . . B . 6 U H1' rr_1ntq 1
91 1 . 2 . 2 2 6 6 DU H3' H . . B . 6 U H3' rr_1ntq 1
92 1 . 1 . 2 2 6 6 DU H1' H . . B . 6 U H1' rr_1ntq 1
92 1 . 2 . 2 2 6 6 DU H4' H . . B . 6 U H4' rr_1ntq 1
93 1 . 1 . 2 2 6 6 DU H1' H . . B . 6 U H1' rr_1ntq 1
93 1 . 2 . 2 2 7 7 DU H6 H . . B . 7 U3' H6 rr_1ntq 1
94 1 . 1 . 1 1 5 5 G H2' H . . 1 . 6 G H2' rr_1ntq 1
94 1 . 2 . 1 1 5 5 G H1' H . . 1 . 6 G H1' rr_1ntq 1
95 1 . 1 . 1 1 5 5 G H3' H . . 1 . 6 G H3' rr_1ntq 1
95 1 . 2 . 1 1 5 5 G H8 H . . 1 . 6 G H8 rr_1ntq 1
96 1 . 1 . 2 2 6 6 DU H3' H . . B . 6 U H3' rr_1ntq 1
96 1 . 2 . 2 2 6 6 DU H2'' H . . B . 6 U H2'2 rr_1ntq 1
97 1 . 1 . 2 2 6 6 DU H3' H . . B . 6 U H3' rr_1ntq 1
97 1 . 2 . 2 2 6 6 DU H2' H . . B . 6 U H2'1 rr_1ntq 1
98 1 . 1 . 1 1 6 6 A H2 H . . 1 . 7 A H2 rr_1ntq 1
98 1 . 2 . 2 2 4 4 DC H1' H . . B . 4 C H1' rr_1ntq 1
99 1 . 1 . 1 1 6 6 A H2 H . . 1 . 7 A H2 rr_1ntq 1
99 1 . 2 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntq 1
100 1 . 1 . 1 1 6 6 A H2 H . . 1 . 7 A H2 rr_1ntq 1
100 1 . 2 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntq 1
101 1 . 1 . 2 2 7 7 DU H6 H . . B . 7 U3' H6 rr_1ntq 1
101 1 . 2 . 2 2 6 6 DU H2'' H . . B . 6 U H2'2 rr_1ntq 1
102 1 . 1 . 2 2 7 7 DU H6 H . . B . 7 U3' H6 rr_1ntq 1
102 1 . 2 . 2 2 6 6 DU H2' H . . B . 6 U H2'1 rr_1ntq 1
103 1 . 1 . 2 2 7 7 DU H6 H . . B . 7 U3' H6 rr_1ntq 1
103 1 . 2 . 2 2 7 7 DU H5 H . . B . 7 U3' H5 rr_1ntq 1
104 1 . 1 . 2 2 7 7 DU H6 H . . B . 7 U3' H6 rr_1ntq 1
104 1 . 2 . 2 2 7 7 DU H2' H . . B . 7 U3' H2'1 rr_1ntq 1
105 1 . 1 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntq 1
105 1 . 2 . 1 1 5 5 G H1' H . . 1 . 6 G H1' rr_1ntq 1
106 1 . 1 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntq 1
106 1 . 2 . 1 1 5 5 G H3' H . . 1 . 6 G H3' rr_1ntq 1
107 1 . 1 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntq 1
107 1 . 2 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntq 1
108 1 . 1 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntq 1
108 1 . 2 . 1 1 5 5 G H2' H . . 1 . 6 G H2' rr_1ntq 1
109 1 . 1 . 2 2 7 7 DU H1' H . . B . 7 U3' H1' rr_1ntq 1
109 1 . 2 . 2 2 7 7 DU H6 H . . B . 7 U3' H6 rr_1ntq 1
110 1 . 1 . 2 2 7 7 DU H1' H . . B . 7 U3' H1' rr_1ntq 1
110 1 . 2 . 2 2 7 7 DU H2' H . . B . 7 U3' H2'1 rr_1ntq 1
111 1 . 1 . 2 2 7 7 DU H1' H . . B . 7 U3' H1' rr_1ntq 1
111 1 . 2 . 2 2 7 7 DU H3' H . . B . 7 U3' H3' rr_1ntq 1
112 1 . 1 . 2 2 7 7 DU H1' H . . B . 7 U3' H1' rr_1ntq 1
112 1 . 2 . 2 2 7 7 DU H4' H . . B . 7 U3' H4' rr_1ntq 1
113 1 . 1 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntq 1
113 1 . 2 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntq 1
114 1 . 1 . 1 1 6 6 A H2' H . . 1 . 7 A H2' rr_1ntq 1
114 1 . 2 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntq 1
115 1 . 1 . 1 1 6 6 A H2' H . . 1 . 7 A H2' rr_1ntq 1
115 1 . 2 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntq 1
116 1 . 1 . 1 1 6 6 A H2' H . . 1 . 7 A H2' rr_1ntq 1
116 1 . 2 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntq 1
117 1 . 1 . 1 1 6 6 A H3' H . . 1 . 7 A H3' rr_1ntq 1
117 1 . 2 . 1 1 6 6 A H8 H . . 1 . 7 A H8 rr_1ntq 1
118 1 . 1 . 1 1 6 6 A H3' H . . 1 . 7 A H3' rr_1ntq 1
118 1 . 2 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntq 1
119 1 . 1 . 2 2 7 7 DU H4' H . . B . 7 U3' H4' rr_1ntq 1
119 1 . 2 . 2 2 7 7 DU H2' H . . B . 7 U3' H2'1 rr_1ntq 1
120 1 . 1 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntq 1
120 1 . 2 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntq 1
121 1 . 1 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntq 1
121 1 . 2 . 1 1 8 8 G H8 H . . 1 . 9 G H8 rr_1ntq 1
122 1 . 1 . 1 1 7 7 G H2' H . . 1 . 8 G H2' rr_1ntq 1
122 1 . 2 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntq 1
123 1 . 1 . 1 1 7 7 G H2' H . . 1 . 8 G H2' rr_1ntq 1
123 1 . 2 . 1 1 7 7 G H1' H . . 1 . 8 G H1' rr_1ntq 1
124 1 . 1 . 1 1 7 7 G H3' H . . 1 . 8 G H3' rr_1ntq 1
124 1 . 2 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntq 1
125 1 . 1 . 1 1 8 8 G H8 H . . 1 . 9 G H8 rr_1ntq 1
125 1 . 2 . 1 1 7 7 G H2' H . . 1 . 8 G H2' rr_1ntq 1
126 1 . 1 . 1 1 8 8 G H8 H . . 1 . 9 G H8 rr_1ntq 1
126 1 . 2 . 1 1 8 8 G H1' H . . 1 . 9 G H1' rr_1ntq 1
127 1 . 1 . 1 1 8 8 G H1' H . . 1 . 9 G H1' rr_1ntq 1
127 1 . 2 . 1 1 8 8 G H4' H . . 1 . 9 G H4' rr_1ntq 1
128 1 . 1 . 1 1 8 8 G H2' H . . 1 . 9 G H2' rr_1ntq 1
128 1 . 2 . 1 1 8 8 G H1' H . . 1 . 9 G H1' rr_1ntq 1
129 1 . 1 . 1 1 8 8 G H3' H . . 1 . 9 G H3' rr_1ntq 1
129 1 . 2 . 1 1 8 8 G H8 H . . 1 . 9 G H8 rr_1ntq 1
130 1 . 1 . 1 1 9 9 A H8 H . . 1 . 10 A H8 rr_1ntq 1
130 1 . 2 . 1 1 8 8 G H2' H . . 1 . 9 G H2' rr_1ntq 1
131 1 . 1 . 1 1 9 9 A H8 H . . 1 . 10 A H8 rr_1ntq 1
131 1 . 2 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntq 1
132 1 . 1 . 1 1 9 9 A H8 H . . 1 . 10 A H8 rr_1ntq 1
132 1 . 2 . 1 1 9 9 A H3' H . . 1 . 10 A H3' rr_1ntq 1
133 1 . 1 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntq 1
133 1 . 2 . 1 1 8 8 G H2' H . . 1 . 9 G H2' rr_1ntq 1
134 1 . 1 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntq 1
134 1 . 2 . 1 1 9 9 A H3' H . . 1 . 10 A H3' rr_1ntq 1
135 1 . 1 . 1 1 9 9 A H2' H . . 1 . 10 A H2' rr_1ntq 1
135 1 . 2 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntq 1
136 1 . 1 . 1 1 1 1 A H3' H . . 1 . 2 A H3' rr_1ntq 1
136 1 . 2 . 1 1 1 1 A H8 H . . 1 . 2 A H8 rr_1ntq 1
137 1 . 1 . 1 1 6 6 A H1' H . . 1 . 7 A H1' rr_1ntq 1
137 1 . 2 . 1 1 6 6 A H4' H . . 1 . 7 A H4' rr_1ntq 1
138 1 . 1 . 1 1 6 6 A H3' H . . 1 . 7 A H3' rr_1ntq 1
138 1 . 2 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntq 1
139 1 . 1 . 1 1 7 7 G H4' H . . 1 . 8 G H4' rr_1ntq 1
139 1 . 2 . 1 1 7 7 G H8 H . . 1 . 8 G H8 rr_1ntq 1
140 1 . 1 . 1 1 9 9 A H1' H . . 1 . 10 A H1' rr_1ntq 1
140 1 . 2 . 1 1 9 9 A H4' H . . 1 . 10 A H4' rr_1ntq 1
141 1 . 1 . 2 2 5 5 DC H5 H . . B . 5 C H5 rr_1ntq 1
141 1 . 2 . 2 2 5 5 DC H6 H . . B . 5 C H6 rr_1ntq 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 1.505 3.512 rr_1ntq 1
2 1 . . . . . . . 2.175 5.076 rr_1ntq 1
3 1 . . . . . . . 2.352 5.487 rr_1ntq 1
4 1 . . . . . . . 1.964 4.582 rr_1ntq 1
5 1 . . . . . . . 1.940 4.526 rr_1ntq 1
6 1 . . . . . . . 2.264 5.282 rr_1ntq 1
7 1 . . . . . . . 1.451 3.386 rr_1ntq 1
8 1 . . . . . . . 2.438 5.689 rr_1ntq 1
9 1 . . . . . . . 1.518 3.543 rr_1ntq 1
10 1 . . . . . . . 1.946 4.540 rr_1ntq 1
11 1 . . . . . . . 2.075 4.843 rr_1ntq 1
12 1 . . . . . . . 2.092 4.882 rr_1ntq 1
13 1 . . . . . . . 1.986 4.635 rr_1ntq 1
14 1 . . . . . . . 2.231 5.205 rr_1ntq 1
15 1 . . . . . . . 1.908 4.452 rr_1ntq 1
16 1 . . . . . . . 2.252 5.254 rr_1ntq 1
17 1 . . . . . . . 2.101 4.902 rr_1ntq 1
18 1 . . . . . . . 2.082 4.859 rr_1ntq 1
19 1 . . . . . . . 2.318 5.408 rr_1ntq 1
20 1 . . . . . . . 1.884 4.397 rr_1ntq 1
21 1 . . . . . . . 2.037 4.754 rr_1ntq 1
22 1 . . . . . . . 1.981 4.623 rr_1ntq 1
23 1 . . . . . . . 2.592 6.000 rr_1ntq 1
24 1 . . . . . . . 1.485 3.464 rr_1ntq 1
25 1 . . . . . . . 1.481 3.455 rr_1ntq 1
26 1 . . . . . . . 2.021 4.716 rr_1ntq 1
27 1 . . . . . . . 1.888 4.406 rr_1ntq 1
28 1 . . . . . . . 2.904 6.000 rr_1ntq 1
29 1 . . . . . . . 2.471 5.766 rr_1ntq 1
30 1 . . . . . . . 1.988 4.640 rr_1ntq 1
31 1 . . . . . . . 1.741 4.063 rr_1ntq 1
32 1 . . . . . . . 2.712 6.000 rr_1ntq 1
33 1 . . . . . . . 2.008 4.686 rr_1ntq 1
34 1 . . . . . . . 2.629 6.000 rr_1ntq 1
35 1 . . . . . . . 1.872 4.367 rr_1ntq 1
36 1 . . . . . . . 1.744 4.070 rr_1ntq 1
37 1 . . . . . . . 2.181 5.089 rr_1ntq 1
38 1 . . . . . . . 1.894 4.420 rr_1ntq 1
39 1 . . . . . . . 2.001 4.668 rr_1ntq 1
40 1 . . . . . . . 1.461 3.410 rr_1ntq 1
41 1 . . . . . . . 1.989 4.642 rr_1ntq 1
42 1 . . . . . . . 1.904 4.442 rr_1ntq 1
43 1 . . . . . . . 2.482 5.790 rr_1ntq 1
44 1 . . . . . . . 2.386 5.566 rr_1ntq 1
45 1 . . . . . . . 2.466 5.755 rr_1ntq 1
46 1 . . . . . . . 1.750 4.083 rr_1ntq 1
47 1 . . . . . . . 2.111 4.926 rr_1ntq 1
48 1 . . . . . . . 2.599 6.000 rr_1ntq 1
49 1 . . . . . . . 2.498 5.829 rr_1ntq 1
50 1 . . . . . . . 2.003 4.673 rr_1ntq 1
51 1 . . . . . . . 1.806 4.215 rr_1ntq 1
52 1 . . . . . . . 1.705 3.977 rr_1ntq 1
53 1 . . . . . . . 2.861 6.000 rr_1ntq 1
54 1 . . . . . . . 2.124 4.955 rr_1ntq 1
55 1 . . . . . . . 2.249 5.248 rr_1ntq 1
56 1 . . . . . . . 1.651 3.852 rr_1ntq 1
57 1 . . . . . . . 2.486 5.800 rr_1ntq 1
58 1 . . . . . . . 1.703 3.973 rr_1ntq 1
59 1 . . . . . . . 1.767 4.124 rr_1ntq 1
60 1 . . . . . . . 1.848 4.311 rr_1ntq 1
61 1 . . . . . . . 1.478 3.449 rr_1ntq 1
62 1 . . . . . . . 1.819 4.245 rr_1ntq 1
63 1 . . . . . . . 2.365 5.518 rr_1ntq 1
64 1 . . . . . . . 2.875 6.000 rr_1ntq 1
65 1 . . . . . . . 1.721 4.016 rr_1ntq 1
66 1 . . . . . . . 3.058 6.000 rr_1ntq 1
67 1 . . . . . . . 2.645 6.000 rr_1ntq 1
68 1 . . . . . . . 1.848 4.311 rr_1ntq 1
69 1 . . . . . . . 2.292 5.349 rr_1ntq 1
70 1 . . . . . . . 2.389 5.575 rr_1ntq 1
71 1 . . . . . . . 2.678 6.000 rr_1ntq 1
72 1 . . . . . . . 1.916 4.472 rr_1ntq 1
73 1 . . . . . . . 1.689 3.942 rr_1ntq 1
74 1 . . . . . . . 1.946 4.540 rr_1ntq 1
75 1 . . . . . . . 2.081 4.855 rr_1ntq 1
76 1 . . . . . . . 3.507 6.000 rr_1ntq 1
77 1 . . . . . . . 1.971 4.599 rr_1ntq 1
78 1 . . . . . . . 2.629 6.000 rr_1ntq 1
79 1 . . . . . . . 3.190 6.000 rr_1ntq 1
80 1 . . . . . . . 2.522 5.885 rr_1ntq 1
81 1 . . . . . . . 1.646 3.840 rr_1ntq 1
82 1 . . . . . . . 1.569 3.662 rr_1ntq 1
83 1 . . . . . . . 1.505 3.512 rr_1ntq 1
84 1 . . . . . . . 2.569 5.994 rr_1ntq 1
85 1 . . . . . . . 1.491 3.480 rr_1ntq 1
86 1 . . . . . . . 1.979 4.617 rr_1ntq 1
87 1 . . . . . . . 1.643 3.834 rr_1ntq 1
88 1 . . . . . . . 2.211 5.160 rr_1ntq 1
89 1 . . . . . . . 1.697 3.960 rr_1ntq 1
90 1 . . . . . . . 1.841 4.296 rr_1ntq 1
91 1 . . . . . . . 2.667 6.000 rr_1ntq 1
92 1 . . . . . . . 2.041 4.762 rr_1ntq 1
93 1 . . . . . . . 2.775 6.000 rr_1ntq 1
94 1 . . . . . . . 1.685 3.932 rr_1ntq 1
95 1 . . . . . . . 1.713 3.997 rr_1ntq 1
96 1 . . . . . . . 1.788 4.171 rr_1ntq 1
97 1 . . . . . . . 1.596 3.723 rr_1ntq 1
98 1 . . . . . . . 2.298 5.361 rr_1ntq 1
99 1 . . . . . . . 3.411 6.000 rr_1ntq 1
100 1 . . . . . . . 1.939 4.524 rr_1ntq 1
101 1 . . . . . . . 1.861 4.342 rr_1ntq 1
102 1 . . . . . . . 1.967 4.590 rr_1ntq 1
103 1 . . . . . . . 1.529 3.568 rr_1ntq 1
104 1 . . . . . . . 1.562 3.644 rr_1ntq 1
105 1 . . . . . . . 2.518 5.875 rr_1ntq 1
106 1 . . . . . . . 2.075 4.843 rr_1ntq 1
107 1 . . . . . . . 2.355 5.494 rr_1ntq 1
108 1 . . . . . . . 1.640 3.828 rr_1ntq 1
109 1 . . . . . . . 2.452 5.722 rr_1ntq 1
110 1 . . . . . . . 1.967 4.590 rr_1ntq 1
111 1 . . . . . . . 2.925 6.000 rr_1ntq 1
112 1 . . . . . . . 2.463 5.747 rr_1ntq 1
113 1 . . . . . . . 2.528 5.898 rr_1ntq 1
114 1 . . . . . . . 2.063 4.815 rr_1ntq 1
115 1 . . . . . . . 1.598 3.728 rr_1ntq 1
116 1 . . . . . . . 1.593 3.718 rr_1ntq 1
117 1 . . . . . . . 1.951 4.552 rr_1ntq 1
118 1 . . . . . . . 2.138 4.989 rr_1ntq 1
119 1 . . . . . . . 1.891 4.413 rr_1ntq 1
120 1 . . . . . . . 2.554 5.959 rr_1ntq 1
121 1 . . . . . . . 2.616 6.000 rr_1ntq 1
122 1 . . . . . . . 2.327 5.429 rr_1ntq 1
123 1 . . . . . . . 1.589 3.708 rr_1ntq 1
124 1 . . . . . . . 2.033 4.743 rr_1ntq 1
125 1 . . . . . . . 1.623 3.787 rr_1ntq 1
126 1 . . . . . . . 2.431 5.672 rr_1ntq 1
127 1 . . . . . . . 1.897 4.426 rr_1ntq 1
128 1 . . . . . . . 1.659 3.871 rr_1ntq 1
129 1 . . . . . . . 1.938 4.522 rr_1ntq 1
130 1 . . . . . . . 1.755 4.094 rr_1ntq 1
131 1 . . . . . . . 2.361 5.510 rr_1ntq 1
132 1 . . . . . . . 2.051 4.785 rr_1ntq 1
133 1 . . . . . . . 2.479 5.785 rr_1ntq 1
134 1 . . . . . . . 2.183 5.094 rr_1ntq 1
135 1 . . . . . . . 1.618 3.775 rr_1ntq 1
136 1 . . . . . . . 0.000 6.000 rr_1ntq 1
137 1 . . . . . . . 0.000 6.000 rr_1ntq 1
138 1 . . . . . . . 0.000 6.000 rr_1ntq 1
139 1 . . . . . . . 0.000 6.000 rr_1ntq 1
140 1 . . . . . . . 0.000 6.000 rr_1ntq 1
141 1 . . . . . . . 0.000 6.000 rr_1ntq 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "************ STRANDS 1 & 2 TOGETHER" 1 1 5 1 rr_1ntq 1
2 "2.508 0.40/0.40:" 6 82 6 107 rr_1ntq 1
3 "2.956 0.40/0.40:" 7 82 7 107 rr_1ntq 1
4 "3.626 0.40/0.40:" 8 82 8 107 rr_1ntq 1
5 "3.919 0.40/0.40:" 9 82 9 107 rr_1ntq 1
6 "3.273 0.40/0.40:" 10 82 10 107 rr_1ntq 1
7 "3.233 0.40/0.40:" 11 82 11 107 rr_1ntq 1
8 "3.773 0.40/0.40:" 12 82 12 107 rr_1ntq 1
9 "2.419 0.40/0.40:" 13 82 13 107 rr_1ntq 1
10 "4.063 0.40/0.40:" 14 82 14 107 rr_1ntq 1
11 "2.531 0.40/0.40:" 15 82 15 107 rr_1ntq 1
12 "3.243 0.40/0.40:" 16 82 16 107 rr_1ntq 1
13 "3.459 0.40/0.40:" 17 82 17 107 rr_1ntq 1
14 "3.487 0.40/0.40:" 18 82 18 107 rr_1ntq 1
15 "3.311 0.40/0.40:" 19 82 19 107 rr_1ntq 1
16 "3.718 0.40/0.40:" 20 82 20 107 rr_1ntq 1
17 "3.180 0.40/0.40:" 21 82 21 107 rr_1ntq 1
18 "3.753 0.40/0.40:" 22 82 22 107 rr_1ntq 1
19 "3.501 0.40/0.40:" 23 82 23 107 rr_1ntq 1
20 "3.470 0.40/0.40:" 24 82 24 107 rr_1ntq 1
21 "3.863 0.40/0.40:" 25 82 25 107 rr_1ntq 1
22 "3.141 0.40/0.40:" 26 82 26 107 rr_1ntq 1
23 "3.396 0.40/0.40:" 27 82 27 107 rr_1ntq 1
24 "3.302 0.40/0.40:" 28 82 28 107 rr_1ntq 1
25 "4.321 0.40/0.40:" 29 82 29 107 rr_1ntq 1
26 "2.474 0.40/0.40:" 30 82 30 107 rr_1ntq 1
27 "2.468 0.40/0.40:" 31 82 31 107 rr_1ntq 1
28 "3.369 0.40/0.40:" 32 82 32 107 rr_1ntq 1
29 "3.147 0.40/0.40:" 33 82 33 107 rr_1ntq 1
30 "4.840 0.40/0.40:" 34 82 34 107 rr_1ntq 1
31 "4.119 0.40/0.40:" 35 82 35 107 rr_1ntq 1
32 "3.314 0.40/0.40:" 36 82 36 107 rr_1ntq 1
33 "2.902 0.40/0.40:" 37 82 37 107 rr_1ntq 1
34 "4.520 0.40/0.40:" 38 82 38 107 rr_1ntq 1
35 "3.347 0.40/0.40:" 39 82 39 107 rr_1ntq 1
36 "4.381 0.40/0.40:" 40 82 40 107 rr_1ntq 1
37 "3.119 0.40/0.40:" 41 82 41 107 rr_1ntq 1
38 "2.907 0.40/0.40:" 42 82 42 107 rr_1ntq 1
39 "3.635 0.40/0.40:" 43 82 43 107 rr_1ntq 1
40 "3.157 0.40/0.40:" 44 82 44 107 rr_1ntq 1
41 "3.334 0.40/0.40:" 45 82 45 107 rr_1ntq 1
42 "2.436 0.40/0.40:" 46 82 46 107 rr_1ntq 1
43 "3.316 0.40/0.40:" 47 82 47 107 rr_1ntq 1
44 "3.173 0.40/0.40:" 48 82 48 107 rr_1ntq 1
45 "4.136 0.40/0.40:" 49 82 49 107 rr_1ntq 1
46 "3.976 0.40/0.40:" 50 82 50 107 rr_1ntq 1
47 "4.111 0.40/0.40:" 51 82 51 107 rr_1ntq 1
48 "2.916 0.40/0.40:" 52 82 52 107 rr_1ntq 1
49 "3.519 0.40/0.40:" 53 82 53 107 rr_1ntq 1
50 "4.331 0.40/0.40:" 54 82 54 107 rr_1ntq 1
51 "4.163 0.40/0.40:" 55 82 55 107 rr_1ntq 1
52 "3.338 0.40/0.40:" 56 82 56 107 rr_1ntq 1
53 "3.011 0.40/0.40:" 57 82 57 107 rr_1ntq 1
54 "2.841 0.40/0.40:" 58 82 58 107 rr_1ntq 1
55 "4.768 0.40/0.40:" 59 82 59 107 rr_1ntq 1
56 "3.540 0.40/0.40:" 60 82 60 107 rr_1ntq 1
57 "3.749 0.40/0.40:" 61 82 61 107 rr_1ntq 1
58 "2.752 0.40/0.40:" 62 82 62 107 rr_1ntq 1
59 "4.143 0.40/0.40:" 63 82 63 107 rr_1ntq 1
60 "2.838 0.40/0.40:" 64 82 64 107 rr_1ntq 1
61 "2.946 0.40/0.40:" 65 82 65 107 rr_1ntq 1
62 "3.080 0.40/0.40:" 66 82 66 107 rr_1ntq 1
63 "2.464 0.40/0.40:" 67 82 67 107 rr_1ntq 1
64 "3.032 0.40/0.40:" 68 82 68 107 rr_1ntq 1
65 "3.941 0.40/0.40:" 69 82 69 107 rr_1ntq 1
66 "4.792 0.40/0.40:" 70 82 70 107 rr_1ntq 1
67 "2.869 0.40/0.40:" 71 82 71 107 rr_1ntq 1
68 "5.097 0.40/0.40:" 72 82 72 107 rr_1ntq 1
69 "4.409 0.40/0.40:" 73 82 73 107 rr_1ntq 1
70 "3.080 0.40/0.40:" 74 82 74 107 rr_1ntq 1
71 "3.821 0.40/0.40:" 75 82 75 107 rr_1ntq 1
72 "3.982 0.40/0.40:" 76 82 76 107 rr_1ntq 1
73 "4.463 0.40/0.40:" 77 82 77 107 rr_1ntq 1
74 "3.194 0.40/0.40:" 78 82 78 107 rr_1ntq 1
75 "2.816 0.40/0.40:" 79 82 79 107 rr_1ntq 1
76 "3.243 0.40/0.40:" 80 82 80 107 rr_1ntq 1
77 "3.468 0.40/0.40:" 81 82 81 107 rr_1ntq 1
78 "5.845 0.40/0.40:" 82 82 82 107 rr_1ntq 1
79 "3.285 0.40/0.40:" 83 82 83 107 rr_1ntq 1
80 "4.382 0.40/0.40:" 84 82 84 107 rr_1ntq 1
81 "5.317 0.40/0.40:" 85 82 85 107 rr_1ntq 1
82 "4.203 0.40/0.40:" 86 82 86 107 rr_1ntq 1
83 "2.743 0.40/0.40:" 87 82 87 107 rr_1ntq 1
84 "2.615 0.40/0.40:" 88 82 88 107 rr_1ntq 1
85 "2.508 0.40/0.40:" 89 82 89 107 rr_1ntq 1
86 "4.281 0.40/0.40:" 90 82 90 107 rr_1ntq 1
87 "2.485 0.40/0.40:" 91 82 91 107 rr_1ntq 1
88 "3.298 0.40/0.40:" 92 82 92 107 rr_1ntq 1
89 "2.738 0.40/0.40:" 93 82 93 107 rr_1ntq 1
90 "3.685 0.40/0.40:" 94 82 94 107 rr_1ntq 1
91 "2.829 0.40/0.40:" 95 82 95 107 rr_1ntq 1
92 "3.069 0.40/0.40:" 96 82 96 107 rr_1ntq 1
93 "4.444 0.40/0.40:" 97 82 97 107 rr_1ntq 1
94 "3.402 0.40/0.40:" 98 82 98 107 rr_1ntq 1
95 "4.625 0.40/0.40:" 99 82 99 107 rr_1ntq 1
96 "2.808 0.40/0.40:" 100 82 100 107 rr_1ntq 1
97 "2.855 0.40/0.40:" 101 82 101 107 rr_1ntq 1
98 "2.979 0.40/0.40:" 102 82 102 107 rr_1ntq 1
99 "2.659 0.40/0.40:" 103 82 103 107 rr_1ntq 1
100 "3.830 0.40/0.40:" 104 82 104 107 rr_1ntq 1
101 "5.684 0.40/0.40:" 105 82 105 107 rr_1ntq 1
102 "3.232 0.40/0.40:" 106 82 106 107 rr_1ntq 1
103 "3.101 0.40/0.40:" 107 82 107 107 rr_1ntq 1
104 "3.279 0.40/0.40:" 108 82 108 107 rr_1ntq 1
105 "2.549 0.40/0.40:" 109 82 109 107 rr_1ntq 1
106 "2.603 0.40/0.40:" 110 82 110 107 rr_1ntq 1
107 "4.196 0.40/0.40:" 111 82 111 107 rr_1ntq 1
108 "3.459 0.40/0.40:" 112 82 112 107 rr_1ntq 1
109 "3.925 0.40/0.40:" 113 82 113 107 rr_1ntq 1
110 "2.734 0.40/0.40:" 114 82 114 107 rr_1ntq 1
111 "4.087 0.40/0.40:" 115 82 115 107 rr_1ntq 1
112 "3.279 0.40/0.40:" 116 82 116 107 rr_1ntq 1
113 "4.874 0.40/0.40:" 117 82 117 107 rr_1ntq 1
114 "4.105 0.40/0.40:" 118 82 118 107 rr_1ntq 1
115 "4.213 0.40/0.40:" 119 82 119 107 rr_1ntq 1
116 "3.439 0.40/0.40:" 120 82 120 107 rr_1ntq 1
117 "2.663 0.40/0.40:" 121 82 121 107 rr_1ntq 1
118 "2.656 0.40/0.40:" 122 82 122 107 rr_1ntq 1
119 "3.252 0.40/0.40:" 123 82 123 107 rr_1ntq 1
120 "3.564 0.40/0.40:" 124 82 124 107 rr_1ntq 1
121 "3.152 0.40/0.40:" 125 82 125 107 rr_1ntq 1
122 "4.257 0.40/0.40:" 126 82 126 107 rr_1ntq 1
123 "4.360 0.40/0.40:" 127 82 127 107 rr_1ntq 1
124 "3.878 0.40/0.40:" 128 82 128 107 rr_1ntq 1
125 "2.649 0.40/0.40:" 129 82 129 107 rr_1ntq 1
126 "3.388 0.40/0.40:" 130 82 130 107 rr_1ntq 1
127 "2.705 0.40/0.40:" 131 82 131 107 rr_1ntq 1
128 "4.051 0.40/0.40:" 132 82 132 107 rr_1ntq 1
129 "3.162 0.40/0.40:" 133 82 133 107 rr_1ntq 1
130 "2.765 0.40/0.40:" 134 82 134 107 rr_1ntq 1
131 "3.230 0.40/0.40:" 135 82 135 107 rr_1ntq 1
132 "2.924 0.40/0.40:" 136 82 136 107 rr_1ntq 1
133 "3.936 0.40/0.40:" 137 82 137 107 rr_1ntq 1
134 "3.418 0.40/0.40:" 138 82 138 107 rr_1ntq 1
135 "4.132 0.40/0.40:" 139 82 139 107 rr_1ntq 1
136 "3.638 0.40/0.40:" 140 82 140 107 rr_1ntq 1
137 "3.765 0.40/0.40:" 141 82 141 107 rr_1ntq 1
138 "2.697 0.40/0.40:" 142 82 142 107 rr_1ntq 1
139 "3.179 0.40/0.40:" 143 82 143 107 rr_1ntq 1
140 "3.638 0.40/0.40:" 144 82 144 107 rr_1ntq 1
141 "3.853 0.40/0.40:" 145 82 145 107 rr_1ntq 1
142 "3.312 0.40/0.40:" 146 82 146 107 rr_1ntq 1
143 "3.186 0.40/0.40:" 147 82 147 107 rr_1ntq 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 3 2 1 "Not handling restraint 2, item 1, resonance(s) '1.1.H6' (nmrStar names),'1.1.H5' (nmrStar names) not linked" rr_1ntq 1
2 3 136 1 "Not handling restraint 136, item 1, resonance(s) '1.11.H8' (nmrStar names) not linked" rr_1ntq 1
3 3 138 1 "Not handling restraint 138, item 1, resonance(s) '1.11.H8' (nmrStar names) not linked" rr_1ntq 1
4 3 139 1 "Not handling restraint 139, item 1, resonance(s) '1.11.H8' (nmrStar names),'1.11.H1'' (nmrStar names) not linked" rr_1ntq 1
5 3 140 1 "Not handling restraint 140, item 1, resonance(s) '1.11.H8' (nmrStar names),'1.11.H3'' (nmrStar names) not linked" rr_1ntq 1
6 3 141 1 "Not handling restraint 141, item 1, resonance(s) '1.11.H1'' (nmrStar names),'1.11.H4'' (nmrStar names) not linked" rr_1ntq 1
7 3 142 1 "Not handling restraint 142, item 1, resonance(s) '1.11.H1'' (nmrStar names),'1.11.H2'' (nmrStar names) not linked" rr_1ntq 1
stop_
save_
save_Discover_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1ntq
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
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_1ntq 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1ntq 2
2 1 . . . rr_1ntq 2
3 1 . . . rr_1ntq 2
4 1 . . . rr_1ntq 2
5 1 . . . rr_1ntq 2
6 1 . . . rr_1ntq 2
7 1 . . . rr_1ntq 2
8 1 . . . rr_1ntq 2
9 1 . . . rr_1ntq 2
10 1 . . . rr_1ntq 2
11 1 . . . rr_1ntq 2
12 1 . . . rr_1ntq 2
13 1 . . . rr_1ntq 2
14 1 . . . rr_1ntq 2
15 1 . . . rr_1ntq 2
16 1 . . . rr_1ntq 2
17 1 . . . rr_1ntq 2
18 1 . . . rr_1ntq 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 A N1 N . . 1 . 3 A N1 rr_1ntq 2
1 1 . 2 . 2 2 7 7 DU H3 H . . B . 7 U3' H3 rr_1ntq 2
2 1 . 1 . 1 1 2 2 A H61 H . . 1 . 3 A H61 rr_1ntq 2
2 1 . 2 . 2 2 7 7 DU O4 O . . B . 7 U3' O4 rr_1ntq 2
3 1 . 1 . 1 1 3 3 A N1 N . . 1 . 4 A N1 rr_1ntq 2
3 1 . 2 . 2 2 6 6 DU H3 H . . B . 6 U H3 rr_1ntq 2
4 1 . 1 . 1 1 3 3 A H61 H . . 1 . 4 A H61 rr_1ntq 2
4 1 . 2 . 2 2 6 6 DU O4 O . . B . 6 U O4 rr_1ntq 2
5 1 . 1 . 1 1 4 4 G H1 H . . 1 . 5 G H1 rr_1ntq 2
5 1 . 2 . 2 2 5 5 DC N3 N . . B . 5 C N3 rr_1ntq 2
6 1 . 1 . 1 1 4 4 G O6 O . . 1 . 5 G O6 rr_1ntq 2
6 1 . 2 . 2 2 5 5 DC H42 H . . B . 5 C H42 rr_1ntq 2
7 1 . 1 . 1 1 4 4 G H22 H . . 1 . 5 G H22 rr_1ntq 2
7 1 . 2 . 2 2 5 5 DC O2 O . . B . 5 C O2 rr_1ntq 2
8 1 . 1 . 1 1 5 5 G H1 H . . 1 . 6 G H1 rr_1ntq 2
8 1 . 2 . 2 2 4 4 DC N3 N . . B . 4 C N3 rr_1ntq 2
9 1 . 1 . 1 1 5 5 G O6 O . . 1 . 6 G O6 rr_1ntq 2
9 1 . 2 . 2 2 4 4 DC H42 H . . B . 4 C H42 rr_1ntq 2
10 1 . 1 . 1 1 5 5 G H22 H . . 1 . 6 G H22 rr_1ntq 2
10 1 . 2 . 2 2 4 4 DC O2 O . . B . 4 C O2 rr_1ntq 2
11 1 . 1 . 1 1 6 6 A N1 N . . 1 . 7 A N1 rr_1ntq 2
11 1 . 2 . 2 2 3 3 DU H3 H . . B . 3 U H3 rr_1ntq 2
12 1 . 1 . 1 1 6 6 A H61 H . . 1 . 7 A H61 rr_1ntq 2
12 1 . 2 . 2 2 3 3 DU O4 O . . B . 3 U O4 rr_1ntq 2
13 1 . 1 . 1 1 7 7 G H1 H . . 1 . 8 G H1 rr_1ntq 2
13 1 . 2 . 2 2 2 2 DC N3 N . . B . 2 C N3 rr_1ntq 2
14 1 . 1 . 1 1 7 7 G O6 O . . 1 . 8 G O6 rr_1ntq 2
14 1 . 2 . 2 2 2 2 DC H42 H . . B . 2 C H42 rr_1ntq 2
15 1 . 1 . 1 1 7 7 G H22 H . . 1 . 8 G H22 rr_1ntq 2
15 1 . 2 . 2 2 2 2 DC O2 O . . B . 2 C O2 rr_1ntq 2
16 1 . 1 . 1 1 8 8 G H1 H . . 1 . 9 G H1 rr_1ntq 2
16 1 . 2 . 2 2 1 1 DC N3 N . . B . 1 C5' N3 rr_1ntq 2
17 1 . 1 . 1 1 8 8 G O6 O . . 1 . 9 G O6 rr_1ntq 2
17 1 . 2 . 2 2 1 1 DC H42 H . . B . 1 C5' H42 rr_1ntq 2
18 1 . 1 . 1 1 8 8 G H22 H . . 1 . 9 G H22 rr_1ntq 2
18 1 . 2 . 2 2 1 1 DC O2 O . . B . 1 C5' O2 rr_1ntq 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 1.8 2.5 rr_1ntq 2
2 1 . . . . . . . 1.8 2.5 rr_1ntq 2
3 1 . . . . . . . 1.8 2.5 rr_1ntq 2
4 1 . . . . . . . 1.8 2.5 rr_1ntq 2
5 1 . . . . . . . 1.8 2.5 rr_1ntq 2
6 1 . . . . . . . 1.8 2.5 rr_1ntq 2
7 1 . . . . . . . 1.8 2.5 rr_1ntq 2
8 1 . . . . . . . 1.8 2.5 rr_1ntq 2
9 1 . . . . . . . 1.8 2.5 rr_1ntq 2
10 1 . . . . . . . 1.8 2.5 rr_1ntq 2
11 1 . . . . . . . 1.8 2.5 rr_1ntq 2
12 1 . . . . . . . 1.8 2.5 rr_1ntq 2
13 1 . . . . . . . 1.8 2.5 rr_1ntq 2
14 1 . . . . . . . 1.8 2.5 rr_1ntq 2
15 1 . . . . . . . 1.8 2.5 rr_1ntq 2
16 1 . . . . . . . 1.8 2.5 rr_1ntq 2
17 1 . . . . . . . 1.8 2.5 rr_1ntq 2
18 1 . . . . . . . 1.8 2.5 rr_1ntq 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;BIOSYM restraint 1 See Table S2 of Supporting Information for an Experimental Distance Restraint table for ODN:RNA, PrODN:RNA, and sPrODN1:RNA. #distance Hydrogen bonding distances (based on Theoretical numbers and observed NOEs between
exchangeable protons on 1D and 2D NOESY spectra
;
1 1 9 1 rr_1ntq 2
2 Hbond 10 90 10 95 rr_1ntq 2
3 Hbond 11 90 11 95 rr_1ntq 2
4 Hbond 12 90 12 95 rr_1ntq 2
5 Hbond 13 90 13 95 rr_1ntq 2
6 Hbond 14 90 14 95 rr_1ntq 2
7 Hbond 15 90 15 95 rr_1ntq 2
8 Hbond 16 90 16 95 rr_1ntq 2
9 Hbond 17 90 17 95 rr_1ntq 2
10 Hbond 18 90 18 95 rr_1ntq 2
11 Hbond 19 90 19 95 rr_1ntq 2
12 Hbond 20 90 20 95 rr_1ntq 2
13 Hbond 21 90 21 95 rr_1ntq 2
14 Hbond 22 90 22 95 rr_1ntq 2
15 Hbond 23 90 23 95 rr_1ntq 2
16 Hbond 24 90 24 95 rr_1ntq 2
17 Hbond 25 90 25 95 rr_1ntq 2
18 Hbond 26 90 26 95 rr_1ntq 2
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_4
_Torsion_angle_constraint_list.Entry_ID rr_1ntq
_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 4
loop_
_Torsion_angle_constraint_software.Software_ID
_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_1ntq 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 A O3' O . . 1 1 2 2 A P P . . 1 1 2 2 A O5' O . . 1 1 2 2 A C5' C . -150.0 150.0 . . . A . 2 A O3' . . A . 3 A P . . A . 3 A O5' . . A . 3 A C5' . 1 . 2 A O3' . . . 1 . 3 A P . . . 1 . 3 A O5' . . . 1 . 3 A C5' . . rr_1ntq 1
2 . . 1 1 2 2 A O3' O . . 1 1 3 3 A P P . . 1 1 3 3 A O5' O . . 1 1 3 3 A C5' C . -150.0 150.0 . . . A . 3 A O3' . . A . 4 A P . . A . 4 A O5' . . A . 4 A C5' . 1 . 3 A O3' . . . 1 . 4 A P . . . 1 . 4 A O5' . . . 1 . 4 A C5' . . rr_1ntq 1
3 . . 1 1 3 3 A O3' O . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . -150.0 150.0 . . . A . 4 A O3' . . A . 5 G P . . A . 5 G O5' . . A . 5 G C5' . 1 . 4 A O3' . . . 1 . 5 G P . . . 1 . 5 G O5' . . . 1 . 5 G C5' . . rr_1ntq 1
4 . . 1 1 4 4 G O3' O . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . -150.0 150.0 . . . A . 5 G O3' . . A . 6 G P . . A . 6 G O5' . . A . 6 G C5' . 1 . 5 G O3' . . . 1 . 6 G P . . . 1 . 6 G O5' . . . 1 . 6 G C5' . . rr_1ntq 1
5 . . 1 1 5 5 G O3' O . . 1 1 6 6 A P P . . 1 1 6 6 A O5' O . . 1 1 6 6 A C5' C . -150.0 150.0 . . . A . 6 G O3' . . A . 7 A P . . A . 7 A O5' . . A . 7 A C5' . 1 . 6 G O3' . . . 1 . 7 A P . . . 1 . 7 A O5' . . . 1 . 7 A C5' . . rr_1ntq 1
6 . . 1 1 6 6 A O3' O . . 1 1 7 7 G P P . . 1 1 7 7 G O5' O . . 1 1 7 7 G C5' C . -150.0 150.0 . . . A . 7 A O3' . . A . 8 G P . . A . 8 G O5' . . A . 8 G C5' . 1 . 7 A O3' . . . 1 . 8 G P . . . 1 . 8 G O5' . . . 1 . 8 G C5' . . rr_1ntq 1
7 . . 1 1 7 7 G O3' O . . 1 1 8 8 G P P . . 1 1 8 8 G O5' O . . 1 1 8 8 G C5' C . -150.0 150.0 . . . A . 8 G O3' . . A . 9 G P . . A . 9 G O5' . . A . 9 G C5' . 1 . 8 G O3' . . . 1 . 9 G P . . . 1 . 9 G O5' . . . 1 . 9 G C5' . . rr_1ntq 1
8 . . 1 1 8 8 G O3' O . . 1 1 9 9 A P P . . 1 1 9 9 A O5' O . . 1 1 9 9 A C5' C . -150.0 150.0 . . . A . 9 G O3' . . A . 10 A P . . A . 10 A O5' . . A . 10 A C5' . 1 . 9 G O3' . . . 1 . 10 A P . . . 1 . 10 A O5' . . . 1 . 10 A C5' . . rr_1ntq 1
9 . . 1 1 2 2 A P P . . 1 1 2 2 A O5' O . . 1 1 2 2 A C5' C . . 1 1 2 2 A C4' C . 150.0 210.0 . . . A . 3 A P . . A . 3 A O5' . . A . 3 A C5' . . A . 3 A C4' . 1 . 3 A P . . . 1 . 3 A O5' . . . 1 . 3 A C5' . . . 1 . 3 A C4' . . rr_1ntq 1
10 . . 1 1 3 3 A P P . . 1 1 3 3 A O5' O . . 1 1 3 3 A C5' C . . 1 1 3 3 A C4' C . 150.0 210.0 . . . A . 4 A P . . A . 4 A O5' . . A . 4 A C5' . . A . 4 A C4' . 1 . 4 A P . . . 1 . 4 A O5' . . . 1 . 4 A C5' . . . 1 . 4 A C4' . . rr_1ntq 1
11 . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . . 1 1 4 4 G C4' C . 150.0 210.0 . . . A . 5 G P . . A . 5 G O5' . . A . 5 G C5' . . A . 5 G C4' . 1 . 5 G P . . . 1 . 5 G O5' . . . 1 . 5 G C5' . . . 1 . 5 G C4' . . rr_1ntq 1
12 . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . 150.0 210.0 . . . A . 6 G P . . A . 6 G O5' . . A . 6 G C5' . . A . 6 G C4' . 1 . 6 G P . . . 1 . 6 G O5' . . . 1 . 6 G C5' . . . 1 . 6 G C4' . . rr_1ntq 1
13 . . 1 1 6 6 A P P . . 1 1 6 6 A O5' O . . 1 1 6 6 A C5' C . . 1 1 6 6 A C4' C . 150.0 210.0 . . . A . 7 A P . . A . 7 A O5' . . A . 7 A C5' . . A . 7 A C4' . 1 . 7 A P . . . 1 . 7 A O5' . . . 1 . 7 A C5' . . . 1 . 7 A C4' . . rr_1ntq 1
14 . . 1 1 7 7 G P P . . 1 1 7 7 G O5' O . . 1 1 7 7 G C5' C . . 1 1 7 7 G C4' C . 150.0 210.0 . . . A . 8 G P . . A . 8 G O5' . . A . 8 G C5' . . A . 8 G C4' . 1 . 8 G P . . . 1 . 8 G O5' . . . 1 . 8 G C5' . . . 1 . 8 G C4' . . rr_1ntq 1
15 . . 1 1 8 8 G P P . . 1 1 8 8 G O5' O . . 1 1 8 8 G C5' C . . 1 1 8 8 G C4' C . 150.0 210.0 . . . A . 9 G P . . A . 9 G O5' . . A . 9 G C5' . . A . 9 G C4' . 1 . 9 G P . . . 1 . 9 G O5' . . . 1 . 9 G C5' . . . 1 . 9 G C4' . . rr_1ntq 1
16 . . 1 1 9 9 A P P . . 1 1 9 9 A O5' O . . 1 1 9 9 A C5' C . . 1 1 9 9 A C4' C . 150.0 210.0 . . . A . 10 A P . . A . 10 A O5' . . A . 10 A C5' . . A . 10 A C4' . 1 . 10 A P . . . 1 . 10 A O5' . . . 1 . 10 A C5' . . . 1 . 10 A C4' . . rr_1ntq 1
17 . . 1 1 1 1 A O5' O . . 1 1 1 1 A C5' C . . 1 1 1 1 A C4' C . . 1 1 1 1 A C3' C . 30.0 90.0 . . . A . 2 A O5' . . A . 2 A C5' . . A . 2 A C4' . . A . 2 A C3' . 1 . 2 A O5' . . . 1 . 2 A C5' . . . 1 . 2 A C4' . . . 1 . 2 A C3' . . rr_1ntq 1
18 . . 1 1 2 2 A O5' O . . 1 1 2 2 A C5' C . . 1 1 2 2 A C4' C . . 1 1 2 2 A C3' C . 30.0 90.0 . . . A . 3 A O5' . . A . 3 A C5' . . A . 3 A C4' . . A . 3 A C3' . 1 . 3 A O5' . . . 1 . 3 A C5' . . . 1 . 3 A C4' . . . 1 . 3 A C3' . . rr_1ntq 1
19 . . 1 1 3 3 A O5' O . . 1 1 3 3 A C5' C . . 1 1 3 3 A C4' C . . 1 1 3 3 A C3' C . 30.0 90.0 . . . A . 4 A O5' . . A . 4 A C5' . . A . 4 A C4' . . A . 4 A C3' . 1 . 4 A O5' . . . 1 . 4 A C5' . . . 1 . 4 A C4' . . . 1 . 4 A C3' . . rr_1ntq 1
20 . . 1 1 4 4 G O5' O . . 1 1 4 4 G C5' C . . 1 1 4 4 G C4' C . . 1 1 4 4 G C3' C . 30.0 90.0 . . . A . 5 G O5' . . A . 5 G C5' . . A . 5 G C4' . . A . 5 G C3' . 1 . 5 G O5' . . . 1 . 5 G C5' . . . 1 . 5 G C4' . . . 1 . 5 G C3' . . rr_1ntq 1
21 . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . 30.0 90.0 . . . A . 6 G O5' . . A . 6 G C5' . . A . 6 G C4' . . A . 6 G C3' . 1 . 6 G O5' . . . 1 . 6 G C5' . . . 1 . 6 G C4' . . . 1 . 6 G C3' . . rr_1ntq 1
22 . . 1 1 6 6 A O5' O . . 1 1 6 6 A C5' C . . 1 1 6 6 A C4' C . . 1 1 6 6 A C3' C . 30.0 90.0 . . . A . 7 A O5' . . A . 7 A C5' . . A . 7 A C4' . . A . 7 A C3' . 1 . 7 A O5' . . . 1 . 7 A C5' . . . 1 . 7 A C4' . . . 1 . 7 A C3' . . rr_1ntq 1
23 . . 1 1 7 7 G O5' O . . 1 1 7 7 G C5' C . . 1 1 7 7 G C4' C . . 1 1 7 7 G C3' C . 30.0 90.0 . . . A . 8 G O5' . . A . 8 G C5' . . A . 8 G C4' . . A . 8 G C3' . 1 . 8 G O5' . . . 1 . 8 G C5' . . . 1 . 8 G C4' . . . 1 . 8 G C3' . . rr_1ntq 1
24 . . 1 1 8 8 G O5' O . . 1 1 8 8 G C5' C . . 1 1 8 8 G C4' C . . 1 1 8 8 G C3' C . 30.0 90.0 . . . A . 9 G O5' . . A . 9 G C5' . . A . 9 G C4' . . A . 9 G C3' . 1 . 9 G O5' . . . 1 . 9 G C5' . . . 1 . 9 G C4' . . . 1 . 9 G C3' . . rr_1ntq 1
25 . . 1 1 9 9 A O5' O . . 1 1 9 9 A C5' C . . 1 1 9 9 A C4' C . . 1 1 9 9 A C3' C . 30.0 90.0 . . . A . 10 A O5' . . A . 10 A C5' . . A . 10 A C4' . . A . 10 A C3' . 1 . 10 A O5' . . . 1 . 10 A C5' . . . 1 . 10 A C4' . . . 1 . 10 A C3' . . rr_1ntq 1
26 . . 1 1 1 1 A C5' C . . 1 1 1 1 A C4' C . . 1 1 1 1 A C3' C . . 1 1 1 1 A O3' O . 70.0 110.0 . . . A . 2 A C5' . . A . 2 A C4' . . A . 2 A C3' . . A . 2 A O3' . 1 . 2 A C5' . . . 1 . 2 A C4' . . . 1 . 2 A C3' . . . 1 . 2 A O3' . . rr_1ntq 1
27 . . 1 1 2 2 A C5' C . . 1 1 2 2 A C4' C . . 1 1 2 2 A C3' C . . 1 1 2 2 A O3' O . 70.0 110.0 . . . A . 3 A C5' . . A . 3 A C4' . . A . 3 A C3' . . A . 3 A O3' . 1 . 3 A C5' . . . 1 . 3 A C4' . . . 1 . 3 A C3' . . . 1 . 3 A O3' . . rr_1ntq 1
28 . . 1 1 3 3 A C5' C . . 1 1 3 3 A C4' C . . 1 1 3 3 A C3' C . . 1 1 3 3 A O3' O . 70.0 110.0 . . . A . 4 A C5' . . A . 4 A C4' . . A . 4 A C3' . . A . 4 A O3' . 1 . 4 A C5' . . . 1 . 4 A C4' . . . 1 . 4 A C3' . . . 1 . 4 A O3' . . rr_1ntq 1
29 . . 1 1 4 4 G C5' C . . 1 1 4 4 G C4' C . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . 70.0 110.0 . . . A . 5 G C5' . . A . 5 G C4' . . A . 5 G C3' . . A . 5 G O3' . 1 . 5 G C5' . . . 1 . 5 G C4' . . . 1 . 5 G C3' . . . 1 . 5 G O3' . . rr_1ntq 1
30 . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . 70.0 110.0 . . . A . 6 G C5' . . A . 6 G C4' . . A . 6 G C3' . . A . 6 G O3' . 1 . 6 G C5' . . . 1 . 6 G C4' . . . 1 . 6 G C3' . . . 1 . 6 G O3' . . rr_1ntq 1
31 . . 1 1 6 6 A C5' C . . 1 1 6 6 A C4' C . . 1 1 6 6 A C3' C . . 1 1 6 6 A O3' O . 70.0 110.0 . . . A . 7 A C5' . . A . 7 A C4' . . A . 7 A C3' . . A . 7 A O3' . 1 . 7 A C5' . . . 1 . 7 A C4' . . . 1 . 7 A C3' . . . 1 . 7 A O3' . . rr_1ntq 1
32 . . 1 1 7 7 G C5' C . . 1 1 7 7 G C4' C . . 1 1 7 7 G C3' C . . 1 1 7 7 G O3' O . 70.0 110.0 . . . A . 8 G C5' . . A . 8 G C4' . . A . 8 G C3' . . A . 8 G O3' . 1 . 8 G C5' . . . 1 . 8 G C4' . . . 1 . 8 G C3' . . . 1 . 8 G O3' . . rr_1ntq 1
33 . . 1 1 8 8 G C5' C . . 1 1 8 8 G C4' C . . 1 1 8 8 G C3' C . . 1 1 8 8 G O3' O . 70.0 110.0 . . . A . 9 G C5' . . A . 9 G C4' . . A . 9 G C3' . . A . 9 G O3' . 1 . 9 G C5' . . . 1 . 9 G C4' . . . 1 . 9 G C3' . . . 1 . 9 G O3' . . rr_1ntq 1
34 . . 1 1 9 9 A C5' C . . 1 1 9 9 A C4' C . . 1 1 9 9 A C3' C . . 1 1 9 9 A O3' O . 70.0 110.0 . . . A . 10 A C5' . . A . 10 A C4' . . A . 10 A C3' . . A . 10 A O3' . 1 . 10 A C5' . . . 1 . 10 A C4' . . . 1 . 10 A C3' . . . 1 . 10 A O3' . . rr_1ntq 1
35 . . 1 1 1 1 A C4' C . . 1 1 1 1 A C3' C . . 1 1 1 1 A O3' O . . 1 1 2 2 A P P . -170.0 -100.0 . . . A . 2 A C4' . . A . 2 A C3' . . A . 2 A O3' . . A . 3 A P . 1 . 2 A C4' . . . 1 . 2 A C3' . . . 1 . 2 A O3' . . . 1 . 3 A P . . rr_1ntq 1
36 . . 1 1 2 2 A C4' C . . 1 1 2 2 A C3' C . . 1 1 2 2 A O3' O . . 1 1 3 3 A P P . -170.0 -100.0 . . . A . 3 A C4' . . A . 3 A C3' . . A . 3 A O3' . . A . 4 A P . 1 . 3 A C4' . . . 1 . 3 A C3' . . . 1 . 3 A O3' . . . 1 . 4 A P . . rr_1ntq 1
37 . . 1 1 3 3 A C4' C . . 1 1 3 3 A C3' C . . 1 1 3 3 A O3' O . . 1 1 4 4 G P P . -170.0 -100.0 . . . A . 4 A C4' . . A . 4 A C3' . . A . 4 A O3' . . A . 5 G P . 1 . 4 A C4' . . . 1 . 4 A C3' . . . 1 . 4 A O3' . . . 1 . 5 G P . . rr_1ntq 1
38 . . 1 1 4 4 G C4' C . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . . 1 1 5 5 G P P . -170.0 -100.0 . . . A . 5 G C4' . . A . 5 G C3' . . A . 5 G O3' . . A . 6 G P . 1 . 5 G C4' . . . 1 . 5 G C3' . . . 1 . 5 G O3' . . . 1 . 6 G P . . rr_1ntq 1
39 . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . . 1 1 6 6 A P P . -170.0 -100.0 . . . A . 6 G C4' . . A . 6 G C3' . . A . 6 G O3' . . A . 7 A P . 1 . 6 G C4' . . . 1 . 6 G C3' . . . 1 . 6 G O3' . . . 1 . 7 A P . . rr_1ntq 1
40 . . 1 1 6 6 A C4' C . . 1 1 6 6 A C3' C . . 1 1 6 6 A O3' O . . 1 1 7 7 G P P . -170.0 -100.0 . . . A . 7 A C4' . . A . 7 A C3' . . A . 7 A O3' . . A . 8 G P . 1 . 7 A C4' . . . 1 . 7 A C3' . . . 1 . 7 A O3' . . . 1 . 8 G P . . rr_1ntq 1
41 . . 1 1 7 7 G C4' C . . 1 1 7 7 G C3' C . . 1 1 7 7 G O3' O . . 1 1 8 8 G P P . -170.0 -100.0 . . . A . 8 G C4' . . A . 8 G C3' . . A . 8 G O3' . . A . 9 G P . 1 . 8 G C4' . . . 1 . 8 G C3' . . . 1 . 8 G O3' . . . 1 . 9 G P . . rr_1ntq 1
42 . . 1 1 8 8 G C4' C . . 1 1 8 8 G C3' C . . 1 1 8 8 G O3' O . . 1 1 9 9 A P P . -170.0 -100.0 . . . A . 9 G C4' . . A . 9 G C3' . . A . 9 G O3' . . A . 10 A P . 1 . 9 G C4' . . . 1 . 9 G C3' . . . 1 . 9 G O3' . . . 1 . 10 A P . . rr_1ntq 1
43 . . 1 1 1 1 A C3' C . . 1 1 1 1 A O3' O . . 1 1 2 2 A P P . . 1 1 2 2 A O5' O . -150.0 150.0 . . . A . 2 A C3' . . A . 2 A O3' . . A . 3 A P . . A . 3 A O5' . 1 . 2 A C3' . . . 1 . 2 A O3' . . . 1 . 3 A P . . . 1 . 3 A O5' . . rr_1ntq 1
44 . . 1 1 2 2 A C3' C . . 1 1 2 2 A O3' O . . 1 1 3 3 A P P . . 1 1 3 3 A O5' O . -150.0 150.0 . . . A . 3 A C3' . . A . 3 A O3' . . A . 4 A P . . A . 4 A O5' . 1 . 3 A C3' . . . 1 . 3 A O3' . . . 1 . 4 A P . . . 1 . 4 A O5' . . rr_1ntq 1
45 . . 1 1 3 3 A C3' C . . 1 1 3 3 A O3' O . . 1 1 4 4 G P P . . 1 1 4 4 G O5' O . -150.0 150.0 . . . A . 4 A C3' . . A . 4 A O3' . . A . 5 G P . . A . 5 G O5' . 1 . 4 A C3' . . . 1 . 4 A O3' . . . 1 . 5 G P . . . 1 . 5 G O5' . . rr_1ntq 1
46 . . 1 1 4 4 G C3' C . . 1 1 4 4 G O3' O . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . -150.0 150.0 . . . A . 5 G C3' . . A . 5 G O3' . . A . 6 G P . . A . 6 G O5' . 1 . 5 G C3' . . . 1 . 5 G O3' . . . 1 . 6 G P . . . 1 . 6 G O5' . . rr_1ntq 1
47 . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . . 1 1 6 6 A P P . . 1 1 6 6 A O5' O . -150.0 150.0 . . . A . 6 G C3' . . A . 6 G O3' . . A . 7 A P . . A . 7 A O5' . 1 . 6 G C3' . . . 1 . 6 G O3' . . . 1 . 7 A P . . . 1 . 7 A O5' . . rr_1ntq 1
48 . . 1 1 6 6 A C3' C . . 1 1 6 6 A O3' O . . 1 1 7 7 G P P . . 1 1 7 7 G O5' O . -150.0 150.0 . . . A . 7 A C3' . . A . 7 A O3' . . A . 8 G P . . A . 8 G O5' . 1 . 7 A C3' . . . 1 . 7 A O3' . . . 1 . 8 G P . . . 1 . 8 G O5' . . rr_1ntq 1
49 . . 1 1 7 7 G C3' C . . 1 1 7 7 G O3' O . . 1 1 8 8 G P P . . 1 1 8 8 G O5' O . -150.0 150.0 . . . A . 8 G C3' . . A . 8 G O3' . . A . 9 G P . . A . 9 G O5' . 1 . 8 G C3' . . . 1 . 8 G O3' . . . 1 . 9 G P . . . 1 . 9 G O5' . . rr_1ntq 1
50 . . 1 1 8 8 G C3' C . . 1 1 8 8 G O3' O . . 1 1 9 9 A P P . . 1 1 9 9 A O5' O . -150.0 150.0 . . . A . 9 G C3' . . A . 9 G O3' . . A . 10 A P . . A . 10 A O5' . 1 . 9 G C3' . . . 1 . 9 G O3' . . . 1 . 10 A P . . . 1 . 10 A O5' . . rr_1ntq 1
51 . . 1 1 1 1 A O4' O . . 1 1 1 1 A C1' C . . 1 1 1 1 A N9 N . . 1 1 1 1 A C4 C . 150.0 210.0 . . . A . 2 A O4' . . A . 2 A C1' . . A . 2 A N9 . . A . 2 A C4 . 1 . 2 A O4' . . . 1 . 2 A C1' . . . 1 . 2 A N9 . . . 1 . 2 A C4 . . rr_1ntq 1
52 . . 1 1 2 2 A O4' O . . 1 1 2 2 A C1' C . . 1 1 2 2 A N9 N . . 1 1 2 2 A C4 C . 150.0 210.0 . . . A . 3 A O4' . . A . 3 A C1' . . A . 3 A N9 . . A . 3 A C4 . 1 . 3 A O4' . . . 1 . 3 A C1' . . . 1 . 3 A N9 . . . 1 . 3 A C4 . . rr_1ntq 1
53 . . 1 1 3 3 A O4' O . . 1 1 3 3 A C1' C . . 1 1 3 3 A N9 N . . 1 1 3 3 A C4 C . 150.0 210.0 . . . A . 4 A O4' . . A . 4 A C1' . . A . 4 A N9 . . A . 4 A C4 . 1 . 4 A O4' . . . 1 . 4 A C1' . . . 1 . 4 A N9 . . . 1 . 4 A C4 . . rr_1ntq 1
54 . . 1 1 4 4 G O4' O . . 1 1 4 4 G C1' C . . 1 1 4 4 G N9 N . . 1 1 4 4 G C4 C . 150.0 210.0 . . . A . 5 G O4' . . A . 5 G C1' . . A . 5 G N9 . . A . 5 G C4 . 1 . 5 G O4' . . . 1 . 5 G C1' . . . 1 . 5 G N9 . . . 1 . 5 G C4 . . rr_1ntq 1
55 . . 1 1 5 5 G O4' O . . 1 1 5 5 G C1' C . . 1 1 5 5 G N9 N . . 1 1 5 5 G C4 C . 150.0 210.0 . . . A . 6 G O4' . . A . 6 G C1' . . A . 6 G N9 . . A . 6 G C4 . 1 . 6 G O4' . . . 1 . 6 G C1' . . . 1 . 6 G N9 . . . 1 . 6 G C4 . . rr_1ntq 1
56 . . 1 1 6 6 A O4' O . . 1 1 6 6 A C1' C . . 1 1 6 6 A N9 N . . 1 1 6 6 A C4 C . 150.0 210.0 . . . A . 7 A O4' . . A . 7 A C1' . . A . 7 A N9 . . A . 7 A C4 . 1 . 7 A O4' . . . 1 . 7 A C1' . . . 1 . 7 A N9 . . . 1 . 7 A C4 . . rr_1ntq 1
57 . . 1 1 7 7 G O4' O . . 1 1 7 7 G C1' C . . 1 1 7 7 G N9 N . . 1 1 7 7 G C4 C . 150.0 210.0 . . . A . 8 G O4' . . A . 8 G C1' . . A . 8 G N9 . . A . 8 G C4 . 1 . 8 G O4' . . . 1 . 8 G C1' . . . 1 . 8 G N9 . . . 1 . 8 G C4 . . rr_1ntq 1
58 . . 1 1 8 8 G O4' O . . 1 1 8 8 G C1' C . . 1 1 8 8 G N9 N . . 1 1 8 8 G C4 C . 150.0 210.0 . . . A . 9 G O4' . . A . 9 G C1' . . A . 9 G N9 . . A . 9 G C4 . 1 . 9 G O4' . . . 1 . 9 G C1' . . . 1 . 9 G N9 . . . 1 . 9 G C4 . . rr_1ntq 1
59 . . 1 1 9 9 A O4' O . . 1 1 9 9 A C1' C . . 1 1 9 9 A N9 N . . 1 1 9 9 A C4 C . 150.0 210.0 . . . A . 10 A O4' . . A . 10 A C1' . . A . 10 A N9 . . A . 10 A C4 . 1 . 10 A O4' . . . 1 . 10 A C1' . . . 1 . 10 A N9 . . . 1 . 10 A C4 . . rr_1ntq 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;********************************************** DIHEDRAL RESTRAINTS
********************************************** NMR_dihedral
alpha (NOT TIGHTLY RESTRAINED) P-O5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
1 1 11 1 rr_1ntq 1
2 "beta (NOT TIGHTLY RESTRAINED) O5'-C5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 20 1 22 1 rr_1ntq 1
3 "gamma C5'-C4'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 31 1 34 1 rr_1ntq 1
4 "delta C4'-C3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 44 1 48 1 rr_1ntq 1
5 "epsilon C3'-O3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 58 1 62 1 rr_1ntq 1
6 "zeta O3'-P; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 71 1 74 1 rr_1ntq 1
7 "chi Glycosidic torsions; strand 1 (RNA) ONLY RESTRAINED TO C3'ENDO" 83 1 87 1 rr_1ntq 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_5
_Torsion_angle_constraint_list.Entry_ID rr_1ntq
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
loop_
_Torsion_angle_constraint_software.Software_ID
_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_1ntq 2
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 2 2 1 1 DC O3' O . . 2 2 2 2 DC P P . . 2 2 2 2 DC O5' O . . 2 2 2 2 DC C5' C . 30.0 90.0 . . . B . 1 DC O3' . . B . 2 DC P . . B . 2 DC O5' . . B . 2 DC C5' . B . 1 C5' O3' . . . B . 2 C P . . . B . 2 C O5' . . . B . 2 C C5' . . rr_1ntq 2
2 . . 2 2 2 2 DC O3' O . . 2 2 3 3 DU P P . . 2 2 3 3 DU O5' O . . 2 2 3 3 DU C5' C . 30.0 90.0 . . . B . 2 DC O3' . . B . 3 DU P . . B . 3 DU O5' . . B . 3 DU C5' . B . 2 C O3' . . . B . 3 U P . . . B . 3 U O5' . . . B . 3 U C5' . . rr_1ntq 2
3 . . 2 2 3 3 DU O3' O . . 2 2 4 4 DC P P . . 2 2 4 4 DC O5' O . . 2 2 4 4 DC C5' C . 30.0 90.0 . . . B . 3 DU O3' . . B . 4 DC P . . B . 4 DC O5' . . B . 4 DC C5' . B . 3 U O3' . . . B . 4 C P . . . B . 4 C O5' . . . B . 4 C C5' . . rr_1ntq 2
4 . . 2 2 4 4 DC O3' O . . 2 2 5 5 DC P P . . 2 2 5 5 DC O5' O . . 2 2 5 5 DC C5' C . 30.0 90.0 . . . B . 4 DC O3' . . B . 5 DC P . . B . 5 DC O5' . . B . 5 DC C5' . B . 4 C O3' . . . B . 5 C P . . . B . 5 C O5' . . . B . 5 C C5' . . rr_1ntq 2
5 . . 2 2 5 5 DC O3' O . . 2 2 6 6 DU P P . . 2 2 6 6 DU O5' O . . 2 2 6 6 DU C5' C . 30.0 90.0 . . . B . 5 DC O3' . . B . 6 DU P . . B . 6 DU O5' . . B . 6 DU C5' . B . 5 C O3' . . . B . 6 U P . . . B . 6 U O5' . . . B . 6 U C5' . . rr_1ntq 2
6 . . 2 2 6 6 DU O3' O . . 2 2 7 7 DU P P . . 2 2 7 7 DU O5' O . . 2 2 7 7 DU C5' C . 30.0 90.0 . . . B . 6 DU O3' . . B . 7 DU P . . B . 7 DU O5' . . B . 7 DU C5' . B . 6 U O3' . . . B . 7 U3' P . . . B . 7 U3' O5' . . . B . 7 U3' C5' . . rr_1ntq 2
7 . . 2 2 2 2 DC P P . . 2 2 2 2 DC O5' O . . 2 2 2 2 DC C5' C . . 2 2 2 2 DC C4' C . 90.0 180.0 . . . B . 2 DC P . . B . 2 DC O5' . . B . 2 DC C5' . . B . 2 DC C4' . B . 2 C P . . . B . 2 C O5' . . . B . 2 C C5' . . . B . 2 C C4' . . rr_1ntq 2
8 . . 2 2 3 3 DU P P . . 2 2 3 3 DU O5' O . . 2 2 3 3 DU C5' C . . 2 2 3 3 DU C4' C . 90.0 180.0 . . . B . 3 DU P . . B . 3 DU O5' . . B . 3 DU C5' . . B . 3 DU C4' . B . 3 U P . . . B . 3 U O5' . . . B . 3 U C5' . . . B . 3 U C4' . . rr_1ntq 2
9 . . 2 2 4 4 DC P P . . 2 2 4 4 DC O5' O . . 2 2 4 4 DC C5' C . . 2 2 4 4 DC C4' C . 90.0 180.0 . . . B . 4 DC P . . B . 4 DC O5' . . B . 4 DC C5' . . B . 4 DC C4' . B . 4 C P . . . B . 4 C O5' . . . B . 4 C C5' . . . B . 4 C C4' . . rr_1ntq 2
10 . . 2 2 5 5 DC P P . . 2 2 5 5 DC O5' O . . 2 2 5 5 DC C5' C . . 2 2 5 5 DC C4' C . 90.0 180.0 . . . B . 5 DC P . . B . 5 DC O5' . . B . 5 DC C5' . . B . 5 DC C4' . B . 5 C P . . . B . 5 C O5' . . . B . 5 C C5' . . . B . 5 C C4' . . rr_1ntq 2
11 . . 2 2 6 6 DU P P . . 2 2 6 6 DU O5' O . . 2 2 6 6 DU C5' C . . 2 2 6 6 DU C4' C . 90.0 180.0 . . . B . 6 DU P . . B . 6 DU O5' . . B . 6 DU C5' . . B . 6 DU C4' . B . 6 U P . . . B . 6 U O5' . . . B . 6 U C5' . . . B . 6 U C4' . . rr_1ntq 2
12 . . 2 2 7 7 DU P P . . 2 2 7 7 DU O5' O . . 2 2 7 7 DU C5' C . . 2 2 7 7 DU C4' C . 90.0 180.0 . . . B . 7 DU P . . B . 7 DU O5' . . B . 7 DU C5' . . B . 7 DU C4' . B . 7 U3' P . . . B . 7 U3' O5' . . . B . 7 U3' C5' . . . B . 7 U3' C4' . . rr_1ntq 2
13 . . 2 2 1 1 DC O5' O . . 2 2 1 1 DC C5' C . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC C3' C . 30.0 90.0 . . . B . 1 DC O5' . . B . 1 DC C5' . . B . 1 DC C4' . . B . 1 DC C3' . B . 1 C5' O5' . . . B . 1 C5' C5' . . . B . 1 C5' C4' . . . B . 1 C5' C3' . . rr_1ntq 2
14 . . 2 2 2 2 DC O5' O . . 2 2 2 2 DC C5' C . . 2 2 2 2 DC C4' C . . 2 2 2 2 DC C3' C . 30.0 90.0 . . . B . 2 DC O5' . . B . 2 DC C5' . . B . 2 DC C4' . . B . 2 DC C3' . B . 2 C O5' . . . B . 2 C C5' . . . B . 2 C C4' . . . B . 2 C C3' . . rr_1ntq 2
15 . . 2 2 3 3 DU O5' O . . 2 2 3 3 DU C5' C . . 2 2 3 3 DU C4' C . . 2 2 3 3 DU C3' C . 30.0 90.0 . . . B . 3 DU O5' . . B . 3 DU C5' . . B . 3 DU C4' . . B . 3 DU C3' . B . 3 U O5' . . . B . 3 U C5' . . . B . 3 U C4' . . . B . 3 U C3' . . rr_1ntq 2
16 . . 2 2 4 4 DC O5' O . . 2 2 4 4 DC C5' C . . 2 2 4 4 DC C4' C . . 2 2 4 4 DC C3' C . 30.0 90.0 . . . B . 4 DC O5' . . B . 4 DC C5' . . B . 4 DC C4' . . B . 4 DC C3' . B . 4 C O5' . . . B . 4 C C5' . . . B . 4 C C4' . . . B . 4 C C3' . . rr_1ntq 2
17 . . 2 2 5 5 DC O5' O . . 2 2 5 5 DC C5' C . . 2 2 5 5 DC C4' C . . 2 2 5 5 DC C3' C . 30.0 90.0 . . . B . 5 DC O5' . . B . 5 DC C5' . . B . 5 DC C4' . . B . 5 DC C3' . B . 5 C O5' . . . B . 5 C C5' . . . B . 5 C C4' . . . B . 5 C C3' . . rr_1ntq 2
18 . . 2 2 6 6 DU O5' O . . 2 2 6 6 DU C5' C . . 2 2 6 6 DU C4' C . . 2 2 6 6 DU C3' C . 30.0 90.0 . . . B . 6 DU O5' . . B . 6 DU C5' . . B . 6 DU C4' . . B . 6 DU C3' . B . 6 U O5' . . . B . 6 U C5' . . . B . 6 U C4' . . . B . 6 U C3' . . rr_1ntq 2
19 . . 2 2 7 7 DU O5' O . . 2 2 7 7 DU C5' C . . 2 2 7 7 DU C4' C . . 2 2 7 7 DU C3' C . 30.0 90.0 . . . B . 7 DU O5' . . B . 7 DU C5' . . B . 7 DU C4' . . B . 7 DU C3' . B . 7 U3' O5' . . . B . 7 U3' C5' . . . B . 7 U3' C4' . . . B . 7 U3' C3' . . rr_1ntq 2
20 . . 2 2 1 1 DC C5' C . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC O3' O . 60.0 180.0 . . . B . 1 DC C5' . . B . 1 DC C4' . . B . 1 DC C3' . . B . 1 DC O3' . B . 1 C5' C5' . . . B . 1 C5' C4' . . . B . 1 C5' C3' . . . B . 1 C5' O3' . . rr_1ntq 2
21 . . 2 2 2 2 DC C5' C . . 2 2 2 2 DC C4' C . . 2 2 2 2 DC C3' C . . 2 2 2 2 DC O3' O . 60.0 180.0 . . . B . 2 DC C5' . . B . 2 DC C4' . . B . 2 DC C3' . . B . 2 DC O3' . B . 2 C C5' . . . B . 2 C C4' . . . B . 2 C C3' . . . B . 2 C O3' . . rr_1ntq 2
22 . . 2 2 3 3 DU C5' C . . 2 2 3 3 DU C4' C . . 2 2 3 3 DU C3' C . . 2 2 3 3 DU O3' O . 60.0 180.0 . . . B . 3 DU C5' . . B . 3 DU C4' . . B . 3 DU C3' . . B . 3 DU O3' . B . 3 U C5' . . . B . 3 U C4' . . . B . 3 U C3' . . . B . 3 U O3' . . rr_1ntq 2
23 . . 2 2 4 4 DC C5' C . . 2 2 4 4 DC C4' C . . 2 2 4 4 DC C3' C . . 2 2 4 4 DC O3' O . 60.0 180.0 . . . B . 4 DC C5' . . B . 4 DC C4' . . B . 4 DC C3' . . B . 4 DC O3' . B . 4 C C5' . . . B . 4 C C4' . . . B . 4 C C3' . . . B . 4 C O3' . . rr_1ntq 2
24 . . 2 2 5 5 DC C5' C . . 2 2 5 5 DC C4' C . . 2 2 5 5 DC C3' C . . 2 2 5 5 DC O3' O . 60.0 180.0 . . . B . 5 DC C5' . . B . 5 DC C4' . . B . 5 DC C3' . . B . 5 DC O3' . B . 5 C C5' . . . B . 5 C C4' . . . B . 5 C C3' . . . B . 5 C O3' . . rr_1ntq 2
25 . . 2 2 6 6 DU C5' C . . 2 2 6 6 DU C4' C . . 2 2 6 6 DU C3' C . . 2 2 6 6 DU O3' O . 60.0 180.0 . . . B . 6 DU C5' . . B . 6 DU C4' . . B . 6 DU C3' . . B . 6 DU O3' . B . 6 U C5' . . . B . 6 U C4' . . . B . 6 U C3' . . . B . 6 U O3' . . rr_1ntq 2
26 . . 2 2 7 7 DU C5' C . . 2 2 7 7 DU C4' C . . 2 2 7 7 DU C3' C . . 2 2 7 7 DU O3' O . 60.0 180.0 . . . B . 7 DU C5' . . B . 7 DU C4' . . B . 7 DU C3' . . B . 7 DU O3' . B . 7 U3' C5' . . . B . 7 U3' C4' . . . B . 7 U3' C3' . . . B . 7 U3' O3' . . rr_1ntq 2
27 . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC O3' O . . 2 2 2 2 DC P P . -180.0 -90.0 . . . B . 1 DC C4' . . B . 1 DC C3' . . B . 1 DC O3' . . B . 2 DC P . B . 1 C5' C4' . . . B . 1 C5' C3' . . . B . 1 C5' O3' . . . B . 2 C P . . rr_1ntq 2
28 . . 2 2 2 2 DC C4' C . . 2 2 2 2 DC C3' C . . 2 2 2 2 DC O3' O . . 2 2 3 3 DU P P . -180.0 -90.0 . . . B . 2 DC C4' . . B . 2 DC C3' . . B . 2 DC O3' . . B . 3 DU P . B . 2 C C4' . . . B . 2 C C3' . . . B . 2 C O3' . . . B . 3 U P . . rr_1ntq 2
29 . . 2 2 3 3 DU C4' C . . 2 2 3 3 DU C3' C . . 2 2 3 3 DU O3' O . . 2 2 4 4 DC P P . -180.0 -90.0 . . . B . 3 DU C4' . . B . 3 DU C3' . . B . 3 DU O3' . . B . 4 DC P . B . 3 U C4' . . . B . 3 U C3' . . . B . 3 U O3' . . . B . 4 C P . . rr_1ntq 2
30 . . 2 2 4 4 DC C4' C . . 2 2 4 4 DC C3' C . . 2 2 4 4 DC O3' O . . 2 2 5 5 DC P P . -180.0 -90.0 . . . B . 4 DC C4' . . B . 4 DC C3' . . B . 4 DC O3' . . B . 5 DC P . B . 4 C C4' . . . B . 4 C C3' . . . B . 4 C O3' . . . B . 5 C P . . rr_1ntq 2
31 . . 2 2 5 5 DC C4' C . . 2 2 5 5 DC C3' C . . 2 2 5 5 DC O3' O . . 2 2 6 6 DU P P . -180.0 -90.0 . . . B . 5 DC C4' . . B . 5 DC C3' . . B . 5 DC O3' . . B . 6 DU P . B . 5 C C4' . . . B . 5 C C3' . . . B . 5 C O3' . . . B . 6 U P . . rr_1ntq 2
32 . . 2 2 6 6 DU C4' C . . 2 2 6 6 DU C3' C . . 2 2 6 6 DU O3' O . . 2 2 7 7 DU P P . -180.0 -90.0 . . . B . 6 DU C4' . . B . 6 DU C3' . . B . 6 DU O3' . . B . 7 DU P . B . 6 U C4' . . . B . 6 U C3' . . . B . 6 U O3' . . . B . 7 U3' P . . rr_1ntq 2
33 . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC O3' O . . 2 2 2 2 DC P P . . 2 2 2 2 DC O5' O . 30.0 90.0 . . . B . 1 DC C3' . . B . 1 DC O3' . . B . 2 DC P . . B . 2 DC O5' . B . 1 C5' C3' . . . B . 1 C5' O3' . . . B . 2 C P . . . B . 2 C O5' . . rr_1ntq 2
34 . . 2 2 2 2 DC C3' C . . 2 2 2 2 DC O3' O . . 2 2 3 3 DU P P . . 2 2 3 3 DU O5' O . 30.0 90.0 . . . B . 2 DC C3' . . B . 2 DC O3' . . B . 3 DU P . . B . 3 DU O5' . B . 2 C C3' . . . B . 2 C O3' . . . B . 3 U P . . . B . 3 U O5' . . rr_1ntq 2
35 . . 2 2 3 3 DU C3' C . . 2 2 3 3 DU O3' O . . 2 2 4 4 DC P P . . 2 2 4 4 DC O5' O . 30.0 90.0 . . . B . 3 DU C3' . . B . 3 DU O3' . . B . 4 DC P . . B . 4 DC O5' . B . 3 U C3' . . . B . 3 U O3' . . . B . 4 C P . . . B . 4 C O5' . . rr_1ntq 2
36 . . 2 2 4 4 DC C3' C . . 2 2 4 4 DC O3' O . . 2 2 5 5 DC P P . . 2 2 5 5 DC O5' O . 30.0 90.0 . . . B . 4 DC C3' . . B . 4 DC O3' . . B . 5 DC P . . B . 5 DC O5' . B . 4 C C3' . . . B . 4 C O3' . . . B . 5 C P . . . B . 5 C O5' . . rr_1ntq 2
37 . . 2 2 5 5 DC C3' C . . 2 2 5 5 DC O3' O . . 2 2 6 6 DU P P . . 2 2 6 6 DU O5' O . 30.0 90.0 . . . B . 5 DC C3' . . B . 5 DC O3' . . B . 6 DU P . . B . 6 DU O5' . B . 5 C C3' . . . B . 5 C O3' . . . B . 6 U P . . . B . 6 U O5' . . rr_1ntq 2
38 . . 2 2 6 6 DU C3' C . . 2 2 6 6 DU O3' O . . 2 2 7 7 DU P P . . 2 2 7 7 DU O5' O . 30.0 90.0 . . . B . 6 DU C3' . . B . 6 DU O3' . . B . 7 DU P . . B . 7 DU O5' . B . 6 U C3' . . . B . 6 U O3' . . . B . 7 U3' P . . . B . 7 U3' O5' . . rr_1ntq 2
39 . . 2 2 1 1 DC O4' O . . 2 2 1 1 DC C1' C . . 2 2 1 1 DC N1 N . . 2 2 1 1 DC C2 C . 0.0 60.0 . . . B . 1 DC O4' . . B . 1 DC C1' . . B . 1 DC N1 . . B . 1 DC C2 . B . 1 C5' O4' . . . B . 1 C5' C1' . . . B . 1 C5' N1 . . . B . 1 C5' C2 . . rr_1ntq 2
40 . . 2 2 2 2 DC O4' O . . 2 2 2 2 DC C1' C . . 2 2 2 2 DC N1 N . . 2 2 2 2 DC C2 C . 0.0 60.0 . . . B . 2 DC O4' . . B . 2 DC C1' . . B . 2 DC N1 . . B . 2 DC C2 . B . 2 C O4' . . . B . 2 C C1' . . . B . 2 C N1 . . . B . 2 C C2 . . rr_1ntq 2
41 . . 2 2 3 3 DU O4' O . . 2 2 3 3 DU C1' C . . 2 2 3 3 DU N1 N . . 2 2 3 3 DU C2 C . 0.0 60.0 . . . B . 3 DU O4' . . B . 3 DU C1' . . B . 3 DU N1 . . B . 3 DU C2 . B . 3 U O4' . . . B . 3 U C1' . . . B . 3 U N1 . . . B . 3 U C2 . . rr_1ntq 2
42 . . 2 2 4 4 DC O4' O . . 2 2 4 4 DC C1' C . . 2 2 4 4 DC N1 N . . 2 2 4 4 DC C2 C . 0.0 60.0 . . . B . 4 DC O4' . . B . 4 DC C1' . . B . 4 DC N1 . . B . 4 DC C2 . B . 4 C O4' . . . B . 4 C C1' . . . B . 4 C N1 . . . B . 4 C C2 . . rr_1ntq 2
43 . . 2 2 5 5 DC O4' O . . 2 2 5 5 DC C1' C . . 2 2 5 5 DC N1 N . . 2 2 5 5 DC C2 C . 0.0 60.0 . . . B . 5 DC O4' . . B . 5 DC C1' . . B . 5 DC N1 . . B . 5 DC C2 . B . 5 C O4' . . . B . 5 C C1' . . . B . 5 C N1 . . . B . 5 C C2 . . rr_1ntq 2
44 . . 2 2 6 6 DU O4' O . . 2 2 6 6 DU C1' C . . 2 2 6 6 DU N1 N . . 2 2 6 6 DU C2 C . 0.0 60.0 . . . B . 6 DU O4' . . B . 6 DU C1' . . B . 6 DU N1 . . B . 6 DU C2 . B . 6 U O4' . . . B . 6 U C1' . . . B . 6 U N1 . . . B . 6 U C2 . . rr_1ntq 2
45 . . 2 2 7 7 DU O4' O . . 2 2 7 7 DU C1' C . . 2 2 7 7 DU N1 N . . 2 2 7 7 DU C2 C . 0.0 60.0 . . . B . 7 DU O4' . . B . 7 DU C1' . . B . 7 DU N1 . . B . 7 DU C2 . B . 7 U3' O4' . . . B . 7 U3' C1' . . . B . 7 U3' N1 . . . B . 7 U3' C2 . . rr_1ntq 2
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;3J_dihedral
alpha P-O5'; first strand
;
2 1 4 1 rr_1ntq 2
2 "beta O5'-C5'; first strand" 11 1 14 1 rr_1ntq 2
3 "gamma C5'-C4'; first strand" 21 1 24 1 rr_1ntq 2
4 "delta C4'-C3'; first strand" 32 1 35 1 rr_1ntq 2
5 "epsilon C3'-O3'; first strand" 43 1 47 1 rr_1ntq 2
6 "zeta O3'-P; first strand" 54 1 57 1 rr_1ntq 2
7 "chi Glycosidic torsions; strand 1" 64 1 67 1 rr_1ntq 2
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 5 116 5 152 rr_1ntq 2
2 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 6 116 6 152 rr_1ntq 2
3 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 7 116 7 152 rr_1ntq 2
4 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 8 116 8 152 rr_1ntq 2
5 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 9 116 9 152 rr_1ntq 2
6 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 10 116 10 152 rr_1ntq 2
7 "-180.0 -90.0" 15 117 15 128 rr_1ntq 2
8 "-180.0 -90.0" 16 117 16 128 rr_1ntq 2
9 "-180.0 -90.0" 17 117 17 128 rr_1ntq 2
10 "-180.0 -90.0" 18 117 18 128 rr_1ntq 2
11 "-180.0 -90.0" 19 117 19 128 rr_1ntq 2
12 "-180.0 -90.0" 20 117 20 128 rr_1ntq 2
13 "150.0 180.0 -180.0 -30.0" 25 116 25 139 rr_1ntq 2
14 "150.0 180.0 -180.0 -30.0" 26 116 26 139 rr_1ntq 2
15 "150.0 180.0 -180.0 -30.0" 27 116 27 139 rr_1ntq 2
16 "150.0 180.0 -180.0 -30.0" 28 116 28 139 rr_1ntq 2
17 "150.0 180.0 -180.0 -30.0" 29 116 29 139 rr_1ntq 2
18 "150.0 180.0 -180.0 -30.0" 30 116 30 139 rr_1ntq 2
19 "150.0 180.0 -180.0 -30.0" 31 116 31 139 rr_1ntq 2
20 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 58 116 58 152 rr_1ntq 2
21 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 59 116 59 152 rr_1ntq 2
22 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 60 116 60 152 rr_1ntq 2
23 "150.0 180.0 -180.0 -150.0 -90.0 -30.00" 61 116 61 153 rr_1ntq 2
24 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 62 116 62 152 rr_1ntq 2
25 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 63 116 63 152 rr_1ntq 2
26 "-180.0 -120.0" 68 115 68 127 rr_1ntq 2
27 "-180.0 -120.0" 69 115 69 127 rr_1ntq 2
28 "-180.0 -120.0" 70 115 70 127 rr_1ntq 2
29 "-180.0 -120.0" 71 115 71 127 rr_1ntq 2
30 "-180.0 -120.0" 72 115 72 127 rr_1ntq 2
31 "-180.0 -120.0" 73 115 73 127 rr_1ntq 2
32 "-180.0 -120.0" 74 115 74 127 rr_1ntq 2
stop_
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_1ntq
_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/RNA 30-JAN-03 1NTQ *TITLE 5'(DCCUCCUU)3':3'(RAGGAGGAAA)5' *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-R(*AP*AP*AP*GP*GP*AP*GP*GP*A)-3'; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: 5'-D(*CP*CP*UP*CP*CP*UP*U)-3'; *COMPND 7 CHAIN: B; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 MOL_ID: 2; *SOURCE 4 SYNTHETIC: YES *KEYWDS DNA, RNA, HYBRID, PROPYNYL *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR B.M.ZNOSKO, T.W.BARNES III, T.R.KRUGH, D.H.TURNER *REVDAT 1 10-JUN-03 1NTQ 0"
save_
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